NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485539 |
2k57   |
15825 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k57
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 1021
_Distance_constraint_stats_list.Viol_count 232
_Distance_constraint_stats_list.Viol_total 129.141
_Distance_constraint_stats_list.Viol_max 0.145
_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 0.0278
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.235 0.075 13 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.406 0.066 19 0 "[ . 1 . 2]"
1 5 THR 0.183 0.073 2 0 "[ . 1 . 2]"
1 6 VAL 0.522 0.085 11 0 "[ . 1 . 2]"
1 7 ILE 0.025 0.016 6 0 "[ . 1 . 2]"
1 8 THR 0.165 0.055 2 0 "[ . 1 . 2]"
1 9 LEU 1.612 0.118 15 0 "[ . 1 . 2]"
1 10 ASN 0.020 0.020 16 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.178 0.074 12 0 "[ . 1 . 2]"
1 13 ARG 0.230 0.074 12 0 "[ . 1 . 2]"
1 14 GLU 0.465 0.085 11 0 "[ . 1 . 2]"
1 15 ILE 0.281 0.049 11 0 "[ . 1 . 2]"
1 16 GLN 0.140 0.070 12 0 "[ . 1 . 2]"
1 17 ALA 0.133 0.034 1 0 "[ . 1 . 2]"
1 18 VAL 0.309 0.060 15 0 "[ . 1 . 2]"
1 19 ASP 0.168 0.075 13 0 "[ . 1 . 2]"
1 20 THR 0.250 0.046 8 0 "[ . 1 . 2]"
1 21 PRO 0.070 0.019 10 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.058 0.038 8 0 "[ . 1 . 2]"
1 24 ASP 0.011 0.011 12 0 "[ . 1 . 2]"
1 25 GLU 0.413 0.056 8 0 "[ . 1 . 2]"
1 26 GLU 0.413 0.056 8 0 "[ . 1 . 2]"
1 27 SER 0.048 0.028 11 0 "[ . 1 . 2]"
1 28 GLY 0.038 0.038 8 0 "[ . 1 . 2]"
1 29 PHE 0.126 0.031 3 0 "[ . 1 . 2]"
1 30 TYR 0.277 0.086 6 0 "[ . 1 . 2]"
1 31 GLU 0.104 0.051 1 0 "[ . 1 . 2]"
1 32 PHE 0.396 0.049 11 0 "[ . 1 . 2]"
1 33 LYS 0.140 0.040 15 0 "[ . 1 . 2]"
1 34 GLN 0.347 0.047 5 0 "[ . 1 . 2]"
1 35 LEU 0.239 0.070 12 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.011 0.011 15 0 "[ . 1 . 2]"
1 38 LYS 0.264 0.047 5 0 "[ . 1 . 2]"
1 39 GLN 0.045 0.032 13 0 "[ . 1 . 2]"
1 40 THR 0.045 0.032 13 0 "[ . 1 . 2]"
1 41 ARG 0.140 0.051 1 0 "[ . 1 . 2]"
1 42 ILE 0.144 0.029 3 0 "[ . 1 . 2]"
1 43 ASN 0.051 0.031 3 0 "[ . 1 . 2]"
1 44 LYS 0.346 0.086 6 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 1.392 0.118 15 0 "[ . 1 . 2]"
1 47 VAL 0.209 0.052 12 0 "[ . 1 . 2]"
1 48 ARG 0.192 0.055 2 0 "[ . 1 . 2]"
1 49 THR 0.227 0.060 10 0 "[ . 1 . 2]"
1 50 VAL 0.155 0.044 13 0 "[ . 1 . 2]"
1 51 LYS 0.195 0.060 10 0 "[ . 1 . 2]"
1 52 ASP 0.265 0.145 13 0 "[ . 1 . 2]"
1 53 LEU 0.426 0.066 19 0 "[ . 1 . 2]"
1 54 LEU 0.370 0.065 7 0 "[ . 1 . 2]"
1 55 GLU 0.385 0.145 13 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 2 ALA HA 1 19 ASP HA 4.550 . 5.010 3.136 2.448 3.839 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 19 ASP HB2 5.450 . 6.000 3.943 2.731 6.054 0.054 14 0 "[ . 1 . 2]" 1
3 1 2 ALA HA 1 19 ASP QB 4.630 . 5.090 3.292 2.167 5.087 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA HA 1 19 ASP HB3 5.450 . 6.000 3.659 2.202 6.031 0.031 2 0 "[ . 1 . 2]" 1
5 1 2 ALA MB 1 3 SER H 4.500 . 4.950 3.100 2.005 3.723 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 4 PRO QD 5.320 . 5.850 4.567 3.996 5.241 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 18 VAL MG2 4.260 . 4.690 3.608 2.754 4.687 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 19 ASP HA 4.370 . 4.810 2.998 2.103 3.817 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA MB 1 19 ASP HB2 4.260 . 4.690 3.716 2.754 4.623 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 19 ASP QB 3.680 . 4.050 2.764 1.843 3.680 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA MB 1 19 ASP HB3 4.260 . 4.690 3.006 1.872 4.765 0.075 13 0 "[ . 1 . 2]" 1
12 1 2 ALA MB 1 20 THR H 4.830 . 5.310 4.478 3.448 5.356 0.046 8 0 "[ . 1 . 2]" 1
13 1 3 SER H 1 19 ASP HA 4.420 . 4.860 2.688 1.833 3.748 . 0 0 "[ . 1 . 2]" 1
14 1 3 SER H 1 20 THR H 4.800 . 5.280 3.612 2.878 4.602 . 0 0 "[ . 1 . 2]" 1
15 1 3 SER HA 1 4 PRO HD2 3.240 . 3.560 2.123 1.860 2.352 . 0 0 "[ . 1 . 2]" 1
16 1 3 SER HA 1 4 PRO HD3 3.240 . 3.560 2.506 2.273 2.698 . 0 0 "[ . 1 . 2]" 1
17 1 3 SER QB 1 4 PRO QD 4.450 . 4.890 2.808 2.144 3.563 . 0 0 "[ . 1 . 2]" 1
18 1 3 SER QB 1 20 THR H 5.280 . 5.810 4.707 3.747 5.804 . 0 0 "[ . 1 . 2]" 1
19 1 4 PRO HA 1 5 THR H 2.710 . 2.980 2.169 2.154 2.189 . 0 0 "[ . 1 . 2]" 1
20 1 4 PRO HA 1 17 ALA H 4.980 . 5.480 4.697 4.466 4.958 . 0 0 "[ . 1 . 2]" 1
21 1 4 PRO HA 1 18 VAL HA 3.900 . 4.290 2.601 1.869 3.006 . 0 0 "[ . 1 . 2]" 1
22 1 4 PRO HA 1 18 VAL MG1 5.070 . 5.580 4.349 3.712 4.844 . 0 0 "[ . 1 . 2]" 1
23 1 4 PRO HB2 1 5 THR H 3.890 . 4.280 3.773 3.507 3.852 . 0 0 "[ . 1 . 2]" 1
24 1 4 PRO HB2 1 53 LEU H 4.840 . 5.320 3.681 3.254 4.146 . 0 0 "[ . 1 . 2]" 1
25 1 4 PRO HB2 1 53 LEU HB2 4.320 . 4.750 2.280 1.826 2.828 . 0 0 "[ . 1 . 2]" 1
26 1 4 PRO HB2 1 53 LEU HB3 4.190 . 4.610 3.629 3.047 4.207 . 0 0 "[ . 1 . 2]" 1
27 1 4 PRO HB2 1 53 LEU MD1 3.750 . 4.130 1.851 1.734 2.148 0.066 19 0 "[ . 1 . 2]" 1
28 1 4 PRO HB3 1 5 THR H 4.170 . 4.590 4.106 3.880 4.219 . 0 0 "[ . 1 . 2]" 1
29 1 4 PRO HB3 1 18 VAL HA 4.670 . 5.140 3.453 2.508 4.752 . 0 0 "[ . 1 . 2]" 1
30 1 4 PRO HB3 1 53 LEU HB2 4.760 . 5.240 3.914 3.508 4.310 . 0 0 "[ . 1 . 2]" 1
31 1 4 PRO HB3 1 53 LEU HB3 5.290 . 5.820 5.149 4.612 5.683 . 0 0 "[ . 1 . 2]" 1
32 1 4 PRO HB3 1 53 LEU MD1 3.990 . 4.390 2.955 2.602 3.249 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO HB3 1 54 LEU MD1 5.000 . 5.500 5.058 4.502 5.533 0.033 1 0 "[ . 1 . 2]" 1
34 1 4 PRO HB3 1 54 LEU HG 5.500 . 6.050 5.082 4.640 5.605 . 0 0 "[ . 1 . 2]" 1
35 1 4 PRO QD 1 54 LEU MD1 4.430 . 4.870 2.476 1.965 3.353 . 0 0 "[ . 1 . 2]" 1
36 1 4 PRO QD 1 54 LEU MD2 4.830 . 5.310 3.977 2.693 5.198 . 0 0 "[ . 1 . 2]" 1
37 1 4 PRO HD2 1 54 LEU MD2 5.500 . 6.050 4.217 2.799 5.626 . 0 0 "[ . 1 . 2]" 1
38 1 4 PRO HD2 1 54 LEU HG 4.740 . 5.210 3.319 2.342 4.426 . 0 0 "[ . 1 . 2]" 1
39 1 4 PRO HD3 1 54 LEU MD2 5.500 . 6.050 4.912 3.503 6.115 0.065 7 0 "[ . 1 . 2]" 1
40 1 4 PRO HD3 1 54 LEU HG 4.740 . 5.210 4.529 3.908 5.085 . 0 0 "[ . 1 . 2]" 1
41 1 4 PRO HG2 1 53 LEU HB3 4.310 . 4.740 4.031 3.543 4.581 . 0 0 "[ . 1 . 2]" 1
42 1 4 PRO HG2 1 53 LEU MD1 4.540 . 4.990 3.689 3.202 4.181 . 0 0 "[ . 1 . 2]" 1
43 1 4 PRO HG2 1 54 LEU MD2 5.190 . 5.710 3.403 2.599 4.341 . 0 0 "[ . 1 . 2]" 1
44 1 4 PRO HG2 1 54 LEU HG 4.210 . 4.630 2.313 1.950 2.800 . 0 0 "[ . 1 . 2]" 1
45 1 4 PRO HG3 1 53 LEU H 5.320 . 5.850 5.292 4.661 5.728 . 0 0 "[ . 1 . 2]" 1
46 1 4 PRO HG3 1 53 LEU HB3 4.770 . 5.250 4.810 4.405 5.261 0.011 16 0 "[ . 1 . 2]" 1
47 1 4 PRO HG3 1 53 LEU MD1 4.580 . 5.040 3.908 3.335 4.419 . 0 0 "[ . 1 . 2]" 1
48 1 4 PRO HG3 1 54 LEU HG 5.080 . 5.590 3.348 2.731 4.008 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR H 1 5 THR HB 3.260 . 3.590 2.696 2.604 2.788 . 0 0 "[ . 1 . 2]" 1
50 1 5 THR H 1 5 THR MG 4.190 . 4.610 3.894 3.853 3.936 . 0 0 "[ . 1 . 2]" 1
51 1 5 THR H 1 6 VAL H 4.820 . 5.300 4.405 4.313 4.520 . 0 0 "[ . 1 . 2]" 1
52 1 5 THR H 1 17 ALA H 3.810 . 4.190 3.212 2.997 3.519 . 0 0 "[ . 1 . 2]" 1
53 1 5 THR H 1 17 ALA MB 3.870 . 4.260 3.189 2.908 3.801 . 0 0 "[ . 1 . 2]" 1
54 1 5 THR H 1 18 VAL HA 4.590 . 5.050 3.874 3.372 4.214 . 0 0 "[ . 1 . 2]" 1
55 1 5 THR H 1 53 LEU MD1 4.410 . 4.850 4.009 3.121 4.684 . 0 0 "[ . 1 . 2]" 1
56 1 5 THR HA 1 6 VAL H 3.200 . 3.520 2.207 2.154 2.298 . 0 0 "[ . 1 . 2]" 1
57 1 5 THR HA 1 6 VAL MG1 4.570 . 5.030 3.752 3.644 3.895 . 0 0 "[ . 1 . 2]" 1
58 1 5 THR HA 1 52 ASP HA 3.680 . 4.050 2.097 1.727 2.642 0.073 2 0 "[ . 1 . 2]" 1
59 1 5 THR HA 1 52 ASP QB 4.480 . 4.930 3.926 3.293 4.479 . 0 0 "[ . 1 . 2]" 1
60 1 5 THR HA 1 53 LEU H 3.290 . 3.620 2.680 2.143 3.050 . 0 0 "[ . 1 . 2]" 1
61 1 5 THR HB 1 6 VAL H 4.570 . 5.030 4.110 3.865 4.267 . 0 0 "[ . 1 . 2]" 1
62 1 5 THR HB 1 17 ALA H 4.800 . 5.280 4.062 3.390 4.400 . 0 0 "[ . 1 . 2]" 1
63 1 5 THR HB 1 17 ALA MB 3.680 . 4.050 2.857 2.225 3.226 . 0 0 "[ . 1 . 2]" 1
64 1 5 THR HB 1 21 PRO HD3 4.350 . 4.790 2.880 2.328 3.836 . 0 0 "[ . 1 . 2]" 1
65 1 5 THR HB 1 50 VAL MG1 4.810 . 5.290 4.349 4.012 5.178 . 0 0 "[ . 1 . 2]" 1
66 1 5 THR MG 1 6 VAL H 3.420 . 3.760 2.558 2.184 2.824 . 0 0 "[ . 1 . 2]" 1
67 1 5 THR MG 1 6 VAL HB 4.790 . 5.270 4.867 4.681 5.099 . 0 0 "[ . 1 . 2]" 1
68 1 5 THR MG 1 7 ILE MD 4.640 . 5.100 3.700 3.251 4.157 . 0 0 "[ . 1 . 2]" 1
69 1 5 THR MG 1 7 ILE HG13 4.430 . 4.870 3.034 2.543 3.487 . 0 0 "[ . 1 . 2]" 1
70 1 5 THR MG 1 20 THR H 5.500 . 6.050 5.633 4.994 6.067 0.017 1 0 "[ . 1 . 2]" 1
71 1 5 THR MG 1 20 THR HA 4.030 . 4.430 3.286 2.740 3.739 . 0 0 "[ . 1 . 2]" 1
72 1 5 THR MG 1 20 THR MG 4.420 . 4.860 3.601 2.370 4.385 . 0 0 "[ . 1 . 2]" 1
73 1 5 THR MG 1 21 PRO HD2 3.610 . 3.970 2.669 2.244 3.352 . 0 0 "[ . 1 . 2]" 1
74 1 5 THR MG 1 21 PRO HD3 3.580 . 3.940 2.560 2.120 3.157 . 0 0 "[ . 1 . 2]" 1
75 1 5 THR MG 1 21 PRO HG2 5.500 . 6.050 3.851 3.226 4.571 . 0 0 "[ . 1 . 2]" 1
76 1 5 THR MG 1 50 VAL HA 4.790 . 5.270 3.794 3.405 4.272 . 0 0 "[ . 1 . 2]" 1
77 1 5 THR MG 1 50 VAL MG1 3.170 . 3.490 2.202 1.886 2.819 . 0 0 "[ . 1 . 2]" 1
78 1 5 THR MG 1 50 VAL MG2 4.940 . 5.430 3.998 3.575 4.445 . 0 0 "[ . 1 . 2]" 1
79 1 5 THR MG 1 51 LYS H 3.660 . 4.030 3.221 2.722 3.757 . 0 0 "[ . 1 . 2]" 1
80 1 5 THR MG 1 52 ASP H 5.080 . 5.590 3.973 3.428 4.554 . 0 0 "[ . 1 . 2]" 1
81 1 5 THR MG 1 52 ASP HA 4.130 . 4.540 2.767 2.219 3.317 . 0 0 "[ . 1 . 2]" 1
82 1 5 THR MG 1 53 LEU H 4.310 . 4.740 4.374 3.808 4.759 0.019 13 0 "[ . 1 . 2]" 1
83 1 6 VAL H 1 6 VAL HB 3.640 . 4.000 2.981 2.870 3.186 . 0 0 "[ . 1 . 2]" 1
84 1 6 VAL H 1 6 VAL MG1 3.770 . 4.150 2.035 1.933 2.181 . 0 0 "[ . 1 . 2]" 1
85 1 6 VAL H 1 6 VAL MG2 4.000 . 4.400 3.868 3.828 3.928 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL H 1 7 ILE H 4.740 . 5.210 4.387 4.177 4.501 . 0 0 "[ . 1 . 2]" 1
87 1 6 VAL H 1 50 VAL HA 5.500 . 6.050 5.383 5.131 5.670 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL H 1 51 LYS H 4.140 . 4.550 3.739 3.490 4.094 . 0 0 "[ . 1 . 2]" 1
89 1 6 VAL H 1 52 ASP HA 4.440 . 4.880 3.087 2.554 3.566 . 0 0 "[ . 1 . 2]" 1
90 1 6 VAL H 1 53 LEU H 4.440 . 4.880 3.691 3.333 4.036 . 0 0 "[ . 1 . 2]" 1
91 1 6 VAL H 1 53 LEU HB2 5.340 . 5.870 5.333 4.974 5.892 0.022 8 0 "[ . 1 . 2]" 1
92 1 6 VAL HA 1 7 ILE H 3.030 . 3.330 2.145 2.128 2.173 . 0 0 "[ . 1 . 2]" 1
93 1 6 VAL HA 1 16 GLN HA 3.900 . 4.290 2.346 2.068 2.773 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL HA 1 17 ALA H 4.130 . 4.540 3.192 2.812 3.551 . 0 0 "[ . 1 . 2]" 1
95 1 6 VAL HB 1 17 ALA H 5.240 . 5.760 4.743 4.321 5.284 . 0 0 "[ . 1 . 2]" 1
96 1 6 VAL HB 1 53 LEU MD2 5.240 . 5.760 2.099 1.791 2.887 0.009 17 0 "[ . 1 . 2]" 1
97 1 6 VAL MG1 1 7 ILE H 4.060 . 4.470 4.058 3.881 4.175 . 0 0 "[ . 1 . 2]" 1
98 1 6 VAL MG1 1 8 THR H 5.010 . 5.510 4.294 4.048 4.548 . 0 0 "[ . 1 . 2]" 1
99 1 6 VAL MG1 1 14 GLU HB2 5.500 . 6.050 5.578 5.130 5.894 . 0 0 "[ . 1 . 2]" 1
100 1 6 VAL MG1 1 14 GLU HB3 4.690 . 5.160 4.310 3.965 4.563 . 0 0 "[ . 1 . 2]" 1
101 1 6 VAL MG1 1 14 GLU HG2 4.690 . 5.160 4.839 4.591 5.105 . 0 0 "[ . 1 . 2]" 1
102 1 6 VAL MG1 1 14 GLU HG3 5.500 . 6.050 6.036 5.798 6.135 0.085 11 0 "[ . 1 . 2]" 1
103 1 6 VAL MG1 1 15 ILE H 5.130 . 5.640 5.474 5.180 5.650 0.010 9 0 "[ . 1 . 2]" 1
104 1 6 VAL MG1 1 51 LYS H 4.960 . 5.460 3.059 2.733 3.498 . 0 0 "[ . 1 . 2]" 1
105 1 6 VAL MG1 1 51 LYS HB2 5.430 . 5.970 2.405 1.813 3.062 . 0 0 "[ . 1 . 2]" 1
106 1 6 VAL MG2 1 7 ILE H 3.910 . 4.300 2.780 2.527 3.014 . 0 0 "[ . 1 . 2]" 1
107 1 6 VAL MG2 1 14 GLU HA 4.800 . 5.280 3.522 3.241 3.821 . 0 0 "[ . 1 . 2]" 1
108 1 6 VAL MG2 1 14 GLU HB2 4.670 . 5.140 3.391 3.156 3.771 . 0 0 "[ . 1 . 2]" 1
109 1 6 VAL MG2 1 14 GLU HB3 3.840 . 4.220 2.146 2.008 2.423 . 0 0 "[ . 1 . 2]" 1
110 1 6 VAL MG2 1 14 GLU HG2 4.460 . 4.910 3.319 2.836 3.755 . 0 0 "[ . 1 . 2]" 1
111 1 6 VAL MG2 1 14 GLU HG3 4.530 . 4.980 4.318 4.015 4.577 . 0 0 "[ . 1 . 2]" 1
112 1 6 VAL MG2 1 15 ILE H 4.460 . 4.910 3.214 2.853 3.458 . 0 0 "[ . 1 . 2]" 1
113 1 6 VAL MG2 1 16 GLN HA 4.740 . 5.210 3.139 2.658 3.662 . 0 0 "[ . 1 . 2]" 1
114 1 6 VAL MG2 1 16 GLN HE21 5.210 . 5.730 4.334 3.659 5.404 . 0 0 "[ . 1 . 2]" 1
115 1 6 VAL MG2 1 51 LYS HB2 5.500 . 6.050 4.551 3.887 5.087 . 0 0 "[ . 1 . 2]" 1
116 1 6 VAL MG2 1 53 LEU MD2 3.930 . 4.320 3.188 2.803 3.677 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE H 1 7 ILE HB 3.470 . 3.820 2.549 2.509 2.584 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE H 1 7 ILE MD 4.590 . 5.050 3.859 3.718 3.967 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE H 1 7 ILE HG12 4.010 . 4.410 3.718 3.526 3.849 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE H 1 7 ILE HG13 4.560 . 5.020 2.550 2.306 2.702 . 0 0 "[ . 1 . 2]" 1
121 1 7 ILE H 1 7 ILE MG 4.440 . 4.880 3.823 3.805 3.844 . 0 0 "[ . 1 . 2]" 1
122 1 7 ILE H 1 16 GLN HA 4.590 . 5.050 3.571 3.124 3.992 . 0 0 "[ . 1 . 2]" 1
123 1 7 ILE HA 1 7 ILE HG12 4.000 . 4.400 2.537 2.503 2.597 . 0 0 "[ . 1 . 2]" 1
124 1 7 ILE HA 1 7 ILE HG13 3.730 . 4.100 3.066 3.033 3.113 . 0 0 "[ . 1 . 2]" 1
125 1 7 ILE HA 1 7 ILE MG 3.400 . 3.740 2.413 2.382 2.438 . 0 0 "[ . 1 . 2]" 1
126 1 7 ILE HA 1 8 THR H 2.990 . 3.290 2.168 2.135 2.195 . 0 0 "[ . 1 . 2]" 1
127 1 7 ILE HA 1 8 THR HB 5.110 . 5.620 4.725 4.630 4.807 . 0 0 "[ . 1 . 2]" 1
128 1 7 ILE HB 1 8 THR H 5.180 . 5.700 4.367 4.284 4.432 . 0 0 "[ . 1 . 2]" 1
129 1 7 ILE HB 1 9 LEU MD2 4.700 . 5.170 3.765 3.454 4.053 . 0 0 "[ . 1 . 2]" 1
130 1 7 ILE MD 1 7 ILE MG 3.800 . 4.180 1.944 1.913 1.971 . 0 0 "[ . 1 . 2]" 1
131 1 7 ILE MD 1 9 LEU MD2 4.930 . 5.420 4.103 3.851 4.386 . 0 0 "[ . 1 . 2]" 1
132 1 7 ILE MD 1 15 ILE MG 4.450 . 4.890 3.915 3.194 4.644 . 0 0 "[ . 1 . 2]" 1
133 1 7 ILE MD 1 17 ALA H 5.020 . 5.520 5.194 4.803 5.536 0.016 6 0 "[ . 1 . 2]" 1
134 1 7 ILE MD 1 17 ALA MB 3.780 . 4.160 3.457 3.037 3.775 . 0 0 "[ . 1 . 2]" 1
135 1 7 ILE MD 1 21 PRO HB2 5.190 . 5.710 3.248 3.019 3.455 . 0 0 "[ . 1 . 2]" 1
136 1 7 ILE MD 1 21 PRO HB3 4.940 . 5.430 2.130 1.883 2.433 . 0 0 "[ . 1 . 2]" 1
137 1 7 ILE MD 1 21 PRO HD2 5.500 . 6.050 4.385 4.004 4.823 . 0 0 "[ . 1 . 2]" 1
138 1 7 ILE MD 1 21 PRO HD3 5.500 . 6.050 3.229 2.670 3.603 . 0 0 "[ . 1 . 2]" 1
139 1 7 ILE MD 1 21 PRO HG2 4.480 . 4.930 3.770 3.446 4.188 . 0 0 "[ . 1 . 2]" 1
140 1 7 ILE MD 1 21 PRO HG3 4.410 . 4.850 2.381 1.922 2.926 . 0 0 "[ . 1 . 2]" 1
141 1 7 ILE MD 1 32 PHE HB2 5.380 . 5.920 3.371 3.008 3.806 . 0 0 "[ . 1 . 2]" 1
142 1 7 ILE MD 1 32 PHE HB3 5.180 . 5.700 2.930 2.576 3.440 . 0 0 "[ . 1 . 2]" 1
143 1 7 ILE MD 1 32 PHE QD 4.900 . 5.390 2.995 2.832 3.166 . 0 0 "[ . 1 . 2]" 1
144 1 7 ILE MD 1 32 PHE QE 4.600 . 5.060 3.285 2.997 3.756 . 0 0 "[ . 1 . 2]" 1
145 1 7 ILE MD 1 32 PHE HZ 5.290 . 5.820 3.862 3.305 4.559 . 0 0 "[ . 1 . 2]" 1
146 1 7 ILE MD 1 50 VAL MG1 4.700 . 5.170 3.662 3.221 4.225 . 0 0 "[ . 1 . 2]" 1
147 1 7 ILE MD 1 50 VAL MG2 4.950 . 5.440 3.464 3.043 4.283 . 0 0 "[ . 1 . 2]" 1
148 1 7 ILE HG12 1 8 THR H 5.100 . 5.610 4.589 4.457 4.738 . 0 0 "[ . 1 . 2]" 1
149 1 7 ILE HG12 1 21 PRO HB2 5.100 . 5.610 4.911 4.329 5.381 . 0 0 "[ . 1 . 2]" 1
150 1 7 ILE HG12 1 21 PRO HB3 4.580 . 5.040 4.145 3.559 4.702 . 0 0 "[ . 1 . 2]" 1
151 1 7 ILE HG12 1 50 VAL MG1 4.410 . 4.850 2.684 2.101 3.511 . 0 0 "[ . 1 . 2]" 1
152 1 7 ILE HG12 1 50 VAL MG2 4.550 . 5.010 2.792 2.389 3.855 . 0 0 "[ . 1 . 2]" 1
153 1 7 ILE HG13 1 7 ILE MG 3.280 . 3.610 3.220 3.216 3.224 . 0 0 "[ . 1 . 2]" 1
154 1 7 ILE HG13 1 21 PRO HD2 5.500 . 6.050 5.501 4.884 6.059 0.009 13 0 "[ . 1 . 2]" 1
155 1 7 ILE HG13 1 21 PRO HD3 5.500 . 6.050 4.186 3.701 4.599 . 0 0 "[ . 1 . 2]" 1
156 1 7 ILE HG13 1 21 PRO HG3 5.500 . 6.050 3.729 3.286 4.100 . 0 0 "[ . 1 . 2]" 1
157 1 7 ILE MG 1 8 THR H 3.490 . 3.840 3.070 2.872 3.224 . 0 0 "[ . 1 . 2]" 1
158 1 7 ILE MG 1 9 LEU MD1 4.670 . 5.140 4.201 3.938 4.457 . 0 0 "[ . 1 . 2]" 1
159 1 7 ILE MG 1 9 LEU MD2 3.200 . 3.520 2.226 2.006 2.404 . 0 0 "[ . 1 . 2]" 1
160 1 7 ILE MG 1 9 LEU HG 4.720 . 5.190 3.533 3.274 3.918 . 0 0 "[ . 1 . 2]" 1
161 1 7 ILE MG 1 15 ILE H 4.770 . 5.250 4.086 3.875 4.273 . 0 0 "[ . 1 . 2]" 1
162 1 7 ILE MG 1 15 ILE HB 4.590 . 5.050 3.939 3.471 4.383 . 0 0 "[ . 1 . 2]" 1
163 1 7 ILE MG 1 15 ILE MD 4.300 . 4.730 3.863 3.137 4.603 . 0 0 "[ . 1 . 2]" 1
164 1 7 ILE MG 1 32 PHE QE 5.050 . 5.560 4.404 4.017 4.994 . 0 0 "[ . 1 . 2]" 1
165 1 7 ILE MG 1 32 PHE HZ 5.500 . 6.050 4.820 4.360 5.725 . 0 0 "[ . 1 . 2]" 1
166 1 7 ILE MG 1 42 ILE MD 4.270 . 4.700 3.902 3.252 4.659 . 0 0 "[ . 1 . 2]" 1
167 1 7 ILE MG 1 42 ILE MG 4.140 . 4.550 3.290 3.033 3.619 . 0 0 "[ . 1 . 2]" 1
168 1 7 ILE MG 1 48 ARG H 5.500 . 6.050 3.944 3.523 4.248 . 0 0 "[ . 1 . 2]" 1
169 1 8 THR H 1 8 THR HB 3.470 . 3.820 2.576 2.484 2.658 . 0 0 "[ . 1 . 2]" 1
170 1 8 THR H 1 8 THR MG 4.430 . 4.870 3.819 3.794 3.842 . 0 0 "[ . 1 . 2]" 1
171 1 8 THR H 1 9 LEU H 5.230 . 5.750 4.462 4.322 4.590 . 0 0 "[ . 1 . 2]" 1
172 1 8 THR H 1 48 ARG H 4.890 . 5.380 4.774 4.624 4.953 . 0 0 "[ . 1 . 2]" 1
173 1 8 THR H 1 48 ARG HB3 5.500 . 6.050 4.730 4.401 4.976 . 0 0 "[ . 1 . 2]" 1
174 1 8 THR H 1 49 THR H 3.940 . 4.330 3.388 3.198 3.565 . 0 0 "[ . 1 . 2]" 1
175 1 8 THR H 1 49 THR MG 5.500 . 6.050 5.233 4.586 5.643 . 0 0 "[ . 1 . 2]" 1
176 1 8 THR H 1 51 LYS H 4.980 . 5.480 4.126 3.383 4.629 . 0 0 "[ . 1 . 2]" 1
177 1 8 THR HA 1 8 THR MG 3.560 . 3.920 2.379 2.335 2.436 . 0 0 "[ . 1 . 2]" 1
178 1 8 THR HA 1 9 LEU H 3.000 . 3.300 2.178 2.150 2.233 . 0 0 "[ . 1 . 2]" 1
179 1 8 THR HA 1 14 GLU HA 3.840 . 4.220 2.321 2.104 2.544 . 0 0 "[ . 1 . 2]" 1
180 1 8 THR HA 1 14 GLU HG2 4.540 . 4.990 2.483 1.882 3.213 . 0 0 "[ . 1 . 2]" 1
181 1 8 THR HB 1 9 LEU H 5.000 . 5.500 4.235 3.999 4.414 . 0 0 "[ . 1 . 2]" 1
182 1 8 THR HB 1 48 ARG H 5.440 . 5.980 4.304 4.097 4.494 . 0 0 "[ . 1 . 2]" 1
183 1 8 THR HB 1 48 ARG HB2 5.030 . 5.530 4.604 4.207 4.818 . 0 0 "[ . 1 . 2]" 1
184 1 8 THR HB 1 48 ARG HB3 4.280 . 4.710 2.939 2.511 3.204 . 0 0 "[ . 1 . 2]" 1
185 1 8 THR HB 1 48 ARG QG 5.340 . 5.870 4.128 3.537 4.834 . 0 0 "[ . 1 . 2]" 1
186 1 8 THR HB 1 49 THR H 3.490 . 3.840 2.525 2.225 2.771 . 0 0 "[ . 1 . 2]" 1
187 1 8 THR HB 1 49 THR MG 4.450 . 4.890 3.788 3.105 4.171 . 0 0 "[ . 1 . 2]" 1
188 1 8 THR MG 1 9 LEU H 3.580 . 3.940 2.844 2.523 3.200 . 0 0 "[ . 1 . 2]" 1
189 1 8 THR MG 1 9 LEU MD1 5.270 . 5.800 5.494 5.327 5.691 . 0 0 "[ . 1 . 2]" 1
190 1 8 THR MG 1 12 GLY H 4.080 . 4.490 3.817 3.518 4.132 . 0 0 "[ . 1 . 2]" 1
191 1 8 THR MG 1 12 GLY HA2 4.460 . 4.910 3.092 2.464 3.603 . 0 0 "[ . 1 . 2]" 1
192 1 8 THR MG 1 12 GLY QA 3.850 . 4.230 3.036 2.434 3.521 . 0 0 "[ . 1 . 2]" 1
193 1 8 THR MG 1 12 GLY HA3 4.460 . 4.910 4.448 3.793 4.950 0.040 12 0 "[ . 1 . 2]" 1
194 1 8 THR MG 1 13 ARG H 4.680 . 5.150 4.558 4.045 5.020 . 0 0 "[ . 1 . 2]" 1
195 1 8 THR MG 1 14 GLU H 5.040 . 5.540 4.818 4.309 5.381 . 0 0 "[ . 1 . 2]" 1
196 1 8 THR MG 1 14 GLU HA 4.730 . 5.200 3.778 3.311 4.158 . 0 0 "[ . 1 . 2]" 1
197 1 8 THR MG 1 14 GLU HG2 4.210 . 4.630 2.475 1.862 3.480 . 0 0 "[ . 1 . 2]" 1
198 1 8 THR MG 1 14 GLU HG3 4.240 . 4.660 3.032 2.594 3.809 . 0 0 "[ . 1 . 2]" 1
199 1 8 THR MG 1 48 ARG HB2 4.070 . 4.480 3.527 3.041 3.933 . 0 0 "[ . 1 . 2]" 1
200 1 8 THR MG 1 48 ARG HB3 4.190 . 4.610 2.602 2.141 3.020 . 0 0 "[ . 1 . 2]" 1
201 1 8 THR MG 1 48 ARG HD2 4.860 . 5.350 3.719 2.091 5.383 0.033 13 0 "[ . 1 . 2]" 1
202 1 8 THR MG 1 48 ARG QD 4.070 . 4.480 2.891 1.842 4.535 0.055 2 0 "[ . 1 . 2]" 1
203 1 8 THR MG 1 48 ARG HD3 4.860 . 5.350 3.178 1.852 4.886 . 0 0 "[ . 1 . 2]" 1
204 1 8 THR MG 1 49 THR H 4.460 . 4.910 3.597 3.351 3.997 . 0 0 "[ . 1 . 2]" 1
205 1 8 THR MG 1 49 THR MG 4.690 . 5.160 4.020 3.650 4.485 . 0 0 "[ . 1 . 2]" 1
206 1 9 LEU H 1 9 LEU HB2 3.560 . 3.920 2.548 2.458 2.612 . 0 0 "[ . 1 . 2]" 1
207 1 9 LEU H 1 9 LEU HB3 4.100 . 4.510 3.650 3.626 3.711 . 0 0 "[ . 1 . 2]" 1
208 1 9 LEU H 1 9 LEU MD1 4.300 . 4.730 3.771 3.710 3.938 . 0 0 "[ . 1 . 2]" 1
209 1 9 LEU H 1 9 LEU MD2 4.110 . 4.520 3.269 3.148 3.464 . 0 0 "[ . 1 . 2]" 1
210 1 9 LEU H 1 9 LEU HG 3.340 . 3.670 2.403 2.278 2.716 . 0 0 "[ . 1 . 2]" 1
211 1 9 LEU H 1 10 ASN H 4.720 . 5.190 4.592 4.520 4.649 . 0 0 "[ . 1 . 2]" 1
212 1 9 LEU H 1 12 GLY H 4.790 . 5.270 4.021 3.679 4.449 . 0 0 "[ . 1 . 2]" 1
213 1 9 LEU H 1 12 GLY QA 5.340 . 5.870 4.458 4.051 4.893 . 0 0 "[ . 1 . 2]" 1
214 1 9 LEU H 1 13 ARG H 4.370 . 4.810 3.992 3.588 4.343 . 0 0 "[ . 1 . 2]" 1
215 1 9 LEU H 1 14 GLU HA 4.320 . 4.750 3.167 2.851 3.440 . 0 0 "[ . 1 . 2]" 1
216 1 9 LEU H 1 14 GLU HG2 5.500 . 6.050 4.111 3.543 4.884 . 0 0 "[ . 1 . 2]" 1
217 1 9 LEU H 1 14 GLU HG3 5.500 . 6.050 4.587 4.180 5.092 . 0 0 "[ . 1 . 2]" 1
218 1 9 LEU HA 1 9 LEU MD2 3.360 . 3.700 2.063 1.959 2.123 . 0 0 "[ . 1 . 2]" 1
219 1 9 LEU HA 1 10 ASN H 2.830 . 3.110 2.415 2.304 2.510 . 0 0 "[ . 1 . 2]" 1
220 1 9 LEU HA 1 10 ASN HB2 5.500 . 6.050 4.607 4.438 4.776 . 0 0 "[ . 1 . 2]" 1
221 1 9 LEU HA 1 10 ASN HB3 5.500 . 6.050 4.970 4.661 5.156 . 0 0 "[ . 1 . 2]" 1
222 1 9 LEU HA 1 11 ASP H 4.800 . 5.280 4.371 3.984 4.701 . 0 0 "[ . 1 . 2]" 1
223 1 9 LEU HA 1 47 VAL HA 3.490 . 3.840 2.542 2.257 2.829 . 0 0 "[ . 1 . 2]" 1
224 1 9 LEU HA 1 48 ARG H 3.620 . 3.980 2.241 1.983 2.526 . 0 0 "[ . 1 . 2]" 1
225 1 9 LEU HB2 1 10 ASN H 3.600 . 3.960 3.514 3.273 3.733 . 0 0 "[ . 1 . 2]" 1
226 1 9 LEU HB2 1 11 ASP H 3.900 . 4.290 3.189 2.965 3.526 . 0 0 "[ . 1 . 2]" 1
227 1 9 LEU HB2 1 12 GLY H 4.290 . 4.720 3.274 2.804 3.634 . 0 0 "[ . 1 . 2]" 1
228 1 9 LEU HB2 1 13 ARG H 3.520 . 3.870 3.015 2.639 3.390 . 0 0 "[ . 1 . 2]" 1
229 1 9 LEU HB3 1 10 ASN H 3.050 . 3.360 2.415 2.040 2.683 . 0 0 "[ . 1 . 2]" 1
230 1 9 LEU HB3 1 10 ASN HB2 5.500 . 6.050 4.774 4.303 5.091 . 0 0 "[ . 1 . 2]" 1
231 1 9 LEU HB3 1 10 ASN QB 4.750 . 5.220 3.981 3.671 4.367 . 0 0 "[ . 1 . 2]" 1
232 1 9 LEU HB3 1 10 ASN HB3 5.500 . 6.050 4.270 3.942 4.793 . 0 0 "[ . 1 . 2]" 1
233 1 9 LEU HB3 1 11 ASP H 3.750 . 4.130 3.001 2.600 3.429 . 0 0 "[ . 1 . 2]" 1
234 1 9 LEU HB3 1 12 GLY H 4.830 . 5.310 4.205 3.718 4.558 . 0 0 "[ . 1 . 2]" 1
235 1 9 LEU HB3 1 13 ARG H 4.660 . 5.130 4.560 4.146 5.028 . 0 0 "[ . 1 . 2]" 1
236 1 9 LEU HB3 1 46 GLN HG2 5.500 . 6.050 6.069 5.717 6.160 0.110 19 0 "[ . 1 . 2]" 1
237 1 9 LEU HB3 1 46 GLN HG3 5.500 . 6.050 5.430 5.025 5.690 . 0 0 "[ . 1 . 2]" 1
238 1 9 LEU MD1 1 10 ASN H 4.650 . 5.120 4.379 3.950 4.639 . 0 0 "[ . 1 . 2]" 1
239 1 9 LEU MD1 1 11 ASP H 4.880 . 5.370 4.357 4.136 4.621 . 0 0 "[ . 1 . 2]" 1
240 1 9 LEU MD1 1 13 ARG H 4.130 . 4.540 4.090 3.796 4.441 . 0 0 "[ . 1 . 2]" 1
241 1 9 LEU MD1 1 13 ARG HB2 3.690 . 4.060 3.780 3.388 4.086 0.026 19 0 "[ . 1 . 2]" 1
242 1 9 LEU MD1 1 13 ARG HB3 3.690 . 4.060 2.293 1.960 2.639 . 0 0 "[ . 1 . 2]" 1
243 1 9 LEU MD1 1 13 ARG HD2 4.870 . 5.360 3.839 3.322 4.329 . 0 0 "[ . 1 . 2]" 1
244 1 9 LEU MD1 1 13 ARG HD3 4.870 . 5.360 2.469 1.853 2.919 . 0 0 "[ . 1 . 2]" 1
245 1 9 LEU MD1 1 13 ARG HE 4.740 . 5.210 4.417 3.876 5.261 0.051 5 0 "[ . 1 . 2]" 1
246 1 9 LEU MD1 1 14 GLU H 5.500 . 6.050 5.262 4.890 5.551 . 0 0 "[ . 1 . 2]" 1
247 1 9 LEU MD1 1 15 ILE HG13 4.410 . 4.850 3.050 2.726 3.608 . 0 0 "[ . 1 . 2]" 1
248 1 9 LEU MD1 1 46 GLN HB3 4.670 . 5.140 3.119 2.791 3.390 . 0 0 "[ . 1 . 2]" 1
249 1 9 LEU MD1 1 46 GLN QE 5.280 . 5.810 5.171 3.430 5.928 0.118 15 0 "[ . 1 . 2]" 1
250 1 9 LEU MD2 1 10 ASN H 3.840 . 4.220 3.553 3.256 3.707 . 0 0 "[ . 1 . 2]" 1
251 1 9 LEU MD2 1 15 ILE MD 4.330 . 4.760 2.909 2.266 3.635 . 0 0 "[ . 1 . 2]" 1
252 1 9 LEU MD2 1 30 TYR QD 5.500 . 6.050 5.884 5.592 6.077 0.027 9 0 "[ . 1 . 2]" 1
253 1 9 LEU MD2 1 42 ILE HB 4.200 . 4.620 4.415 4.146 4.649 0.029 3 0 "[ . 1 . 2]" 1
254 1 9 LEU MD2 1 42 ILE MD 3.320 . 3.650 1.954 1.824 2.089 . 0 0 "[ . 1 . 2]" 1
255 1 9 LEU MD2 1 42 ILE QG 4.070 . 4.480 3.567 3.380 3.682 . 0 0 "[ . 1 . 2]" 1
256 1 9 LEU MD2 1 42 ILE MG 3.120 . 3.430 2.850 2.293 3.352 . 0 0 "[ . 1 . 2]" 1
257 1 9 LEU MD2 1 46 GLN H 4.400 . 4.840 4.772 4.590 4.919 0.079 19 0 "[ . 1 . 2]" 1
258 1 9 LEU MD2 1 46 GLN HB2 4.010 . 4.410 2.919 2.636 3.189 . 0 0 "[ . 1 . 2]" 1
259 1 9 LEU MD2 1 46 GLN HB3 3.910 . 4.300 2.528 2.007 2.837 . 0 0 "[ . 1 . 2]" 1
260 1 9 LEU MD2 1 46 GLN QE 5.340 . 5.870 5.503 4.279 5.889 0.019 13 0 "[ . 1 . 2]" 1
261 1 9 LEU MD2 1 46 GLN HG2 4.780 . 5.260 4.936 4.660 5.240 . 0 0 "[ . 1 . 2]" 1
262 1 9 LEU MD2 1 46 GLN HG3 4.780 . 5.260 4.331 3.960 4.714 . 0 0 "[ . 1 . 2]" 1
263 1 9 LEU MD2 1 47 VAL H 3.600 . 3.960 3.856 3.625 3.999 0.039 18 0 "[ . 1 . 2]" 1
264 1 9 LEU MD2 1 47 VAL HA 3.300 . 3.630 2.374 2.197 2.608 . 0 0 "[ . 1 . 2]" 1
265 1 9 LEU MD2 1 47 VAL HB 3.440 . 3.780 3.504 3.093 3.791 0.011 16 0 "[ . 1 . 2]" 1
266 1 9 LEU MD2 1 48 ARG H 4.050 . 4.460 3.350 3.155 3.549 . 0 0 "[ . 1 . 2]" 1
267 1 9 LEU HG 1 11 ASP H 5.500 . 6.050 5.517 5.226 5.799 . 0 0 "[ . 1 . 2]" 1
268 1 10 ASN H 1 10 ASN QB 2.910 . 3.200 2.236 2.187 2.264 . 0 0 "[ . 1 . 2]" 1
269 1 10 ASN H 1 11 ASP H 3.620 . 3.980 2.761 2.604 2.940 . 0 0 "[ . 1 . 2]" 1
270 1 10 ASN H 1 12 GLY H 4.440 . 4.880 4.129 3.947 4.274 . 0 0 "[ . 1 . 2]" 1
271 1 10 ASN H 1 46 GLN HA 4.110 . 4.520 3.435 2.990 3.701 . 0 0 "[ . 1 . 2]" 1
272 1 10 ASN H 1 46 GLN HB2 5.380 . 5.920 5.030 4.391 5.288 . 0 0 "[ . 1 . 2]" 1
273 1 10 ASN H 1 46 GLN HB3 4.160 . 4.580 3.873 2.991 4.243 . 0 0 "[ . 1 . 2]" 1
274 1 10 ASN H 1 47 VAL HA 4.180 . 4.600 3.930 3.442 4.317 . 0 0 "[ . 1 . 2]" 1
275 1 10 ASN H 1 47 VAL QG 5.440 . 5.980 4.995 4.618 5.331 . 0 0 "[ . 1 . 2]" 1
276 1 10 ASN H 1 48 ARG H 4.280 . 4.710 3.457 2.971 4.076 . 0 0 "[ . 1 . 2]" 1
277 1 10 ASN H 1 48 ARG HB2 3.810 . 4.190 3.350 2.890 4.027 . 0 0 "[ . 1 . 2]" 1
278 1 10 ASN H 1 48 ARG HB3 5.220 . 5.740 4.532 4.016 5.328 . 0 0 "[ . 1 . 2]" 1
279 1 10 ASN HA 1 48 ARG HB2 3.500 . 3.850 2.294 1.780 2.944 0.020 16 0 "[ . 1 . 2]" 1
280 1 10 ASN HA 1 48 ARG HB3 4.500 . 4.950 3.874 3.465 4.550 . 0 0 "[ . 1 . 2]" 1
281 1 10 ASN HA 1 48 ARG HD2 4.980 . 5.480 3.284 2.355 5.076 . 0 0 "[ . 1 . 2]" 1
282 1 10 ASN HA 1 48 ARG QD 4.330 . 4.760 2.844 2.150 4.624 . 0 0 "[ . 1 . 2]" 1
283 1 10 ASN HA 1 48 ARG HD3 4.980 . 5.480 3.899 2.166 5.325 . 0 0 "[ . 1 . 2]" 1
284 1 10 ASN QB 1 11 ASP H 3.710 . 4.080 2.726 2.520 3.130 . 0 0 "[ . 1 . 2]" 1
285 1 10 ASN QB 1 46 GLN HA 4.190 . 4.610 3.061 1.959 3.545 . 0 0 "[ . 1 . 2]" 1
286 1 10 ASN QB 1 46 GLN HB3 4.790 . 5.270 4.452 3.384 4.977 . 0 0 "[ . 1 . 2]" 1
287 1 10 ASN HB2 1 11 ASP H 4.420 . 4.860 3.971 3.792 4.144 . 0 0 "[ . 1 . 2]" 1
288 1 10 ASN HB2 1 12 GLY H 5.500 . 6.050 5.507 5.333 5.705 . 0 0 "[ . 1 . 2]" 1
289 1 10 ASN HB2 1 48 ARG HB2 5.500 . 6.050 3.652 2.927 4.518 . 0 0 "[ . 1 . 2]" 1
290 1 10 ASN HB3 1 11 ASP H 4.420 . 4.860 2.779 2.553 3.244 . 0 0 "[ . 1 . 2]" 1
291 1 10 ASN HB3 1 12 GLY H 5.500 . 6.050 4.900 4.732 5.137 . 0 0 "[ . 1 . 2]" 1
292 1 10 ASN HB3 1 48 ARG HB2 5.500 . 6.050 4.745 4.187 5.549 . 0 0 "[ . 1 . 2]" 1
293 1 11 ASP H 1 11 ASP QB 3.490 . 3.840 2.414 2.204 2.591 . 0 0 "[ . 1 . 2]" 1
294 1 11 ASP H 1 12 GLY H 3.320 . 3.650 2.658 2.486 2.766 . 0 0 "[ . 1 . 2]" 1
295 1 11 ASP H 1 13 ARG H 4.340 . 4.770 3.936 3.530 4.312 . 0 0 "[ . 1 . 2]" 1
296 1 11 ASP H 1 13 ARG QB 5.340 . 5.870 4.654 4.118 5.071 . 0 0 "[ . 1 . 2]" 1
297 1 12 GLY H 1 13 ARG H 2.480 . 2.730 2.500 2.207 2.804 0.074 12 0 "[ . 1 . 2]" 1
298 1 12 GLY H 1 13 ARG QB 4.870 . 5.360 4.208 3.869 4.491 . 0 0 "[ . 1 . 2]" 1
299 1 12 GLY H 1 48 ARG HB2 5.500 . 6.050 4.776 4.243 5.366 . 0 0 "[ . 1 . 2]" 1
300 1 13 ARG H 1 13 ARG HB2 2.970 . 3.270 2.600 2.408 2.872 . 0 0 "[ . 1 . 2]" 1
301 1 13 ARG H 1 13 ARG HB3 2.970 . 3.270 2.486 2.346 2.622 . 0 0 "[ . 1 . 2]" 1
302 1 13 ARG H 1 13 ARG HD2 5.090 . 5.600 4.993 4.777 5.222 . 0 0 "[ . 1 . 2]" 1
303 1 13 ARG H 1 13 ARG QD 4.480 . 4.930 4.416 4.332 4.538 . 0 0 "[ . 1 . 2]" 1
304 1 13 ARG H 1 13 ARG HD3 5.090 . 5.600 4.928 4.765 5.133 . 0 0 "[ . 1 . 2]" 1
305 1 13 ARG H 1 14 GLU H 4.490 . 4.940 4.586 4.498 4.649 . 0 0 "[ . 1 . 2]" 1
306 1 13 ARG HA 1 13 ARG HG2 3.890 . 4.280 3.149 2.868 3.267 . 0 0 "[ . 1 . 2]" 1
307 1 13 ARG HA 1 13 ARG QG 3.310 . 3.640 2.496 2.417 2.553 . 0 0 "[ . 1 . 2]" 1
308 1 13 ARG HA 1 13 ARG HG3 3.890 . 4.280 2.620 2.529 2.678 . 0 0 "[ . 1 . 2]" 1
309 1 13 ARG HA 1 14 GLU H 2.670 . 2.940 2.199 2.168 2.242 . 0 0 "[ . 1 . 2]" 1
310 1 13 ARG QB 1 13 ARG QD 3.100 . 3.410 2.144 2.119 2.180 . 0 0 "[ . 1 . 2]" 1
311 1 13 ARG QB 1 13 ARG HE 4.700 . 5.170 3.962 3.939 4.017 . 0 0 "[ . 1 . 2]" 1
312 1 13 ARG HB2 1 14 GLU H 4.460 . 4.910 4.187 4.040 4.361 . 0 0 "[ . 1 . 2]" 1
313 1 13 ARG HB3 1 14 GLU H 4.460 . 4.910 4.169 3.950 4.371 . 0 0 "[ . 1 . 2]" 1
314 1 13 ARG HE 1 13 ARG QG 3.650 . 4.020 2.318 2.232 2.876 . 0 0 "[ . 1 . 2]" 1
315 1 13 ARG QG 1 14 GLU H 3.200 . 3.520 2.684 2.401 3.096 . 0 0 "[ . 1 . 2]" 1
316 1 13 ARG HG2 1 14 GLU H 3.740 . 4.110 2.994 2.473 3.458 . 0 0 "[ . 1 . 2]" 1
317 1 13 ARG HG3 1 14 GLU H 3.740 . 4.110 3.057 2.736 3.493 . 0 0 "[ . 1 . 2]" 1
318 1 14 GLU H 1 14 GLU HB2 3.080 . 3.390 2.548 2.474 2.650 . 0 0 "[ . 1 . 2]" 1
319 1 14 GLU H 1 14 GLU HB3 4.170 . 4.590 3.715 3.672 3.765 . 0 0 "[ . 1 . 2]" 1
320 1 14 GLU H 1 14 GLU HG2 4.160 . 4.580 3.890 3.667 4.058 . 0 0 "[ . 1 . 2]" 1
321 1 14 GLU H 1 14 GLU HG3 3.560 . 3.920 2.764 2.625 2.963 . 0 0 "[ . 1 . 2]" 1
322 1 14 GLU H 1 15 ILE H 4.630 . 5.090 4.459 4.394 4.532 . 0 0 "[ . 1 . 2]" 1
323 1 14 GLU HA 1 14 GLU HG2 4.040 . 4.440 2.585 2.529 2.680 . 0 0 "[ . 1 . 2]" 1
324 1 14 GLU HA 1 15 ILE H 3.060 . 3.370 2.183 2.147 2.266 . 0 0 "[ . 1 . 2]" 1
325 1 14 GLU HB2 1 15 ILE H 4.410 . 4.850 4.161 3.916 4.250 . 0 0 "[ . 1 . 2]" 1
326 1 14 GLU HB3 1 15 ILE H 3.540 . 3.890 3.213 2.844 3.312 . 0 0 "[ . 1 . 2]" 1
327 1 14 GLU HG2 1 15 ILE H 4.880 . 5.370 4.378 4.176 4.467 . 0 0 "[ . 1 . 2]" 1
328 1 14 GLU HG3 1 15 ILE H 5.500 . 6.050 5.088 4.964 5.213 . 0 0 "[ . 1 . 2]" 1
329 1 15 ILE H 1 15 ILE HB 3.810 . 4.190 2.661 2.587 2.763 . 0 0 "[ . 1 . 2]" 1
330 1 15 ILE H 1 15 ILE MD 4.600 . 5.060 3.980 3.855 4.135 . 0 0 "[ . 1 . 2]" 1
331 1 15 ILE H 1 15 ILE HG12 4.410 . 4.850 3.822 3.684 3.991 . 0 0 "[ . 1 . 2]" 1
332 1 15 ILE H 1 15 ILE HG13 3.960 . 4.360 2.687 2.504 2.909 . 0 0 "[ . 1 . 2]" 1
333 1 15 ILE H 1 15 ILE MG 4.180 . 4.600 3.874 3.840 3.921 . 0 0 "[ . 1 . 2]" 1
334 1 15 ILE HA 1 15 ILE MD 4.320 . 4.750 3.858 3.839 3.890 . 0 0 "[ . 1 . 2]" 1
335 1 15 ILE HA 1 15 ILE HG12 3.770 . 4.150 2.579 2.538 2.644 . 0 0 "[ . 1 . 2]" 1
336 1 15 ILE HA 1 15 ILE HG13 4.040 . 4.440 3.106 3.069 3.182 . 0 0 "[ . 1 . 2]" 1
337 1 15 ILE HA 1 15 ILE MG 3.380 . 3.720 2.377 2.311 2.418 . 0 0 "[ . 1 . 2]" 1
338 1 15 ILE HA 1 16 GLN H 2.720 . 2.990 2.184 2.145 2.246 . 0 0 "[ . 1 . 2]" 1
339 1 15 ILE HA 1 16 GLN HB2 4.700 . 5.170 4.614 4.464 4.716 . 0 0 "[ . 1 . 2]" 1
340 1 15 ILE HB 1 15 ILE MD 3.500 . 3.850 2.446 2.414 2.462 . 0 0 "[ . 1 . 2]" 1
341 1 15 ILE HB 1 16 GLN H 4.160 . 4.580 4.173 3.904 4.309 . 0 0 "[ . 1 . 2]" 1
342 1 15 ILE MD 1 32 PHE HZ 4.090 . 4.500 2.585 2.094 2.934 . 0 0 "[ . 1 . 2]" 1
343 1 15 ILE HG12 1 15 ILE MG 3.450 . 3.790 2.414 2.393 2.436 . 0 0 "[ . 1 . 2]" 1
344 1 15 ILE HG12 1 16 GLN H 4.520 . 4.970 4.506 4.382 4.665 . 0 0 "[ . 1 . 2]" 1
345 1 15 ILE HG13 1 15 ILE MG 3.570 . 3.930 3.217 3.213 3.222 . 0 0 "[ . 1 . 2]" 1
346 1 15 ILE MG 1 16 GLN H 3.220 . 3.540 2.693 2.306 2.985 . 0 0 "[ . 1 . 2]" 1
347 1 15 ILE MG 1 17 ALA H 4.710 . 5.180 4.362 3.958 4.683 . 0 0 "[ . 1 . 2]" 1
348 1 15 ILE MG 1 17 ALA MB 3.980 . 4.380 3.542 3.139 3.926 . 0 0 "[ . 1 . 2]" 1
349 1 15 ILE MG 1 32 PHE QD 4.700 . 5.170 3.359 3.070 3.647 . 0 0 "[ . 1 . 2]" 1
350 1 15 ILE MG 1 32 PHE QE 3.410 . 3.750 1.848 1.751 2.104 0.049 11 0 "[ . 1 . 2]" 1
351 1 15 ILE MG 1 32 PHE HZ 4.930 . 5.420 3.110 2.585 3.550 . 0 0 "[ . 1 . 2]" 1
352 1 15 ILE MG 1 34 GLN HB3 4.790 . 5.270 3.834 3.460 4.216 . 0 0 "[ . 1 . 2]" 1
353 1 15 ILE MG 1 34 GLN HE21 4.720 . 5.190 4.729 3.599 5.221 0.031 4 0 "[ . 1 . 2]" 1
354 1 15 ILE MG 1 34 GLN HE22 4.720 . 5.190 4.689 4.025 5.216 0.026 12 0 "[ . 1 . 2]" 1
355 1 15 ILE MG 1 34 GLN HG2 4.090 . 4.500 2.431 2.177 2.750 . 0 0 "[ . 1 . 2]" 1
356 1 15 ILE MG 1 34 GLN HG3 4.620 . 5.080 3.656 3.273 3.997 . 0 0 "[ . 1 . 2]" 1
357 1 16 GLN H 1 16 GLN HB2 2.950 . 3.250 2.498 2.384 2.565 . 0 0 "[ . 1 . 2]" 1
358 1 16 GLN H 1 16 GLN HG2 3.800 . 4.180 3.723 3.430 4.022 . 0 0 "[ . 1 . 2]" 1
359 1 16 GLN H 1 16 GLN HG3 3.660 . 4.030 2.567 2.366 2.836 . 0 0 "[ . 1 . 2]" 1
360 1 16 GLN H 1 17 ALA H 4.710 . 5.180 4.457 4.333 4.540 . 0 0 "[ . 1 . 2]" 1
361 1 16 GLN HA 1 17 ALA H 2.890 . 3.180 2.155 2.122 2.191 . 0 0 "[ . 1 . 2]" 1
362 1 16 GLN HA 1 17 ALA MB 4.640 . 5.100 3.988 3.925 4.073 . 0 0 "[ . 1 . 2]" 1
363 1 16 GLN HB2 1 35 LEU H 4.480 . 4.930 4.061 3.673 4.539 . 0 0 "[ . 1 . 2]" 1
364 1 16 GLN HB2 1 35 LEU MD1 3.940 . 4.330 2.369 1.940 2.597 . 0 0 "[ . 1 . 2]" 1
365 1 16 GLN HB2 1 35 LEU HG 4.030 . 4.430 2.539 2.223 2.883 . 0 0 "[ . 1 . 2]" 1
366 1 16 GLN HB3 1 17 ALA H 3.720 . 4.090 3.361 3.062 3.665 . 0 0 "[ . 1 . 2]" 1
367 1 16 GLN HB3 1 35 LEU MD1 4.280 . 4.710 2.508 2.067 3.519 . 0 0 "[ . 1 . 2]" 1
368 1 16 GLN HB3 1 35 LEU MD2 4.430 . 4.870 2.719 2.270 3.355 . 0 0 "[ . 1 . 2]" 1
369 1 16 GLN HB3 1 53 LEU MD1 4.850 . 5.330 2.972 2.311 3.715 . 0 0 "[ . 1 . 2]" 1
370 1 16 GLN HE21 1 35 LEU MD2 4.560 . 5.020 4.325 3.110 5.090 0.070 12 0 "[ . 1 . 2]" 1
371 1 16 GLN HE21 1 53 LEU MD1 4.020 . 4.420 2.325 1.777 3.909 0.023 8 0 "[ . 1 . 2]" 1
372 1 16 GLN HE22 1 35 LEU MD1 4.470 . 4.920 3.372 2.603 4.508 . 0 0 "[ . 1 . 2]" 1
373 1 16 GLN HE22 1 53 LEU MD1 4.170 . 4.590 3.332 2.587 4.351 . 0 0 "[ . 1 . 2]" 1
374 1 16 GLN HG2 1 17 ALA H 4.550 . 5.010 4.439 4.256 4.719 . 0 0 "[ . 1 . 2]" 1
375 1 16 GLN HG2 1 35 LEU MD1 5.130 . 5.640 4.062 3.618 4.820 . 0 0 "[ . 1 . 2]" 1
376 1 16 GLN HG2 1 35 LEU MD2 5.020 . 5.520 4.794 4.182 5.373 . 0 0 "[ . 1 . 2]" 1
377 1 16 GLN HG2 1 53 LEU MD1 4.320 . 4.750 3.135 2.240 3.620 . 0 0 "[ . 1 . 2]" 1
378 1 16 GLN HG3 1 17 ALA H 5.260 . 5.790 5.117 4.951 5.275 . 0 0 "[ . 1 . 2]" 1
379 1 16 GLN HG3 1 35 LEU MD1 4.990 . 5.490 3.963 3.641 4.274 . 0 0 "[ . 1 . 2]" 1
380 1 16 GLN HG3 1 53 LEU MD1 5.240 . 5.760 4.519 3.818 4.938 . 0 0 "[ . 1 . 2]" 1
381 1 16 GLN HG3 1 53 LEU MD2 5.500 . 6.050 4.707 3.885 5.622 . 0 0 "[ . 1 . 2]" 1
382 1 17 ALA H 1 17 ALA MB 3.220 . 3.540 2.440 2.358 2.524 . 0 0 "[ . 1 . 2]" 1
383 1 17 ALA H 1 18 VAL H 4.830 . 5.310 4.516 4.468 4.573 . 0 0 "[ . 1 . 2]" 1
384 1 17 ALA H 1 53 LEU MD1 4.700 . 5.170 4.245 3.140 5.182 0.012 1 0 "[ . 1 . 2]" 1
385 1 17 ALA HA 1 18 VAL H 2.940 . 3.230 2.334 2.238 2.466 . 0 0 "[ . 1 . 2]" 1
386 1 17 ALA HA 1 18 VAL MG1 5.040 . 5.540 3.630 3.493 3.744 . 0 0 "[ . 1 . 2]" 1
387 1 17 ALA HA 1 18 VAL MG2 4.780 . 5.260 3.910 3.758 4.083 . 0 0 "[ . 1 . 2]" 1
388 1 17 ALA HA 1 19 ASP H 4.900 . 5.390 3.986 3.734 4.190 . 0 0 "[ . 1 . 2]" 1
389 1 17 ALA HA 1 32 PHE QD 4.430 . 4.870 3.912 3.734 4.124 . 0 0 "[ . 1 . 2]" 1
390 1 17 ALA HA 1 32 PHE QE 5.060 . 5.570 5.317 4.841 5.604 0.034 1 0 "[ . 1 . 2]" 1
391 1 17 ALA HA 1 34 GLN HA 3.940 . 4.330 2.044 1.783 2.485 0.017 13 0 "[ . 1 . 2]" 1
392 1 17 ALA HA 1 35 LEU H 4.350 . 4.790 3.115 2.749 3.606 . 0 0 "[ . 1 . 2]" 1
393 1 17 ALA MB 1 18 VAL H 3.470 . 3.820 2.590 2.330 2.840 . 0 0 "[ . 1 . 2]" 1
394 1 17 ALA MB 1 18 VAL HA 5.120 . 5.630 4.285 4.164 4.386 . 0 0 "[ . 1 . 2]" 1
395 1 17 ALA MB 1 18 VAL MG2 3.860 . 4.250 3.689 3.521 3.900 . 0 0 "[ . 1 . 2]" 1
396 1 17 ALA MB 1 19 ASP H 3.540 . 3.890 2.516 2.309 2.756 . 0 0 "[ . 1 . 2]" 1
397 1 17 ALA MB 1 21 PRO HD2 5.460 . 6.010 5.167 4.480 5.645 . 0 0 "[ . 1 . 2]" 1
398 1 17 ALA MB 1 21 PRO HD3 4.530 . 4.980 3.757 3.177 4.207 . 0 0 "[ . 1 . 2]" 1
399 1 17 ALA MB 1 32 PHE HB2 3.750 . 4.130 2.394 2.201 2.734 . 0 0 "[ . 1 . 2]" 1
400 1 17 ALA MB 1 32 PHE HB3 4.050 . 4.460 3.708 3.509 4.020 . 0 0 "[ . 1 . 2]" 1
401 1 17 ALA MB 1 32 PHE QD 3.710 . 4.080 2.135 1.862 2.551 . 0 0 "[ . 1 . 2]" 1
402 1 17 ALA MB 1 32 PHE QE 4.560 . 5.020 3.822 3.200 4.356 . 0 0 "[ . 1 . 2]" 1
403 1 17 ALA MB 1 33 LYS H 4.280 . 4.710 2.901 2.538 3.205 . 0 0 "[ . 1 . 2]" 1
404 1 17 ALA MB 1 34 GLN HA 4.880 . 5.370 3.010 2.757 3.493 . 0 0 "[ . 1 . 2]" 1
405 1 18 VAL H 1 18 VAL HB 3.660 . 4.030 3.679 3.651 3.719 . 0 0 "[ . 1 . 2]" 1
406 1 18 VAL H 1 18 VAL MG1 3.200 . 3.520 2.464 2.292 2.656 . 0 0 "[ . 1 . 2]" 1
407 1 18 VAL H 1 18 VAL MG2 3.300 . 3.630 1.975 1.894 2.041 . 0 0 "[ . 1 . 2]" 1
408 1 18 VAL H 1 19 ASP H 3.450 . 3.790 2.393 2.240 2.525 . 0 0 "[ . 1 . 2]" 1
409 1 18 VAL H 1 33 LYS H 5.080 . 5.590 4.273 3.816 4.726 . 0 0 "[ . 1 . 2]" 1
410 1 18 VAL H 1 33 LYS HB2 5.500 . 6.050 5.219 4.918 5.499 . 0 0 "[ . 1 . 2]" 1
411 1 18 VAL H 1 33 LYS HB3 4.310 . 4.740 3.579 3.240 3.914 . 0 0 "[ . 1 . 2]" 1
412 1 18 VAL H 1 34 GLN HA 4.160 . 4.580 3.598 3.108 4.007 . 0 0 "[ . 1 . 2]" 1
413 1 18 VAL H 1 35 LEU H 4.330 . 4.760 4.369 4.082 4.772 0.012 12 0 "[ . 1 . 2]" 1
414 1 18 VAL H 1 37 GLY H 5.500 . 6.050 5.443 5.077 5.783 . 0 0 "[ . 1 . 2]" 1
415 1 18 VAL HA 1 18 VAL MG1 3.200 . 3.520 2.351 2.328 2.380 . 0 0 "[ . 1 . 2]" 1
416 1 18 VAL HA 1 18 VAL MG2 3.340 . 3.670 3.221 3.216 3.229 . 0 0 "[ . 1 . 2]" 1
417 1 18 VAL HA 1 35 LEU MD2 4.300 . 4.730 3.162 2.448 3.892 . 0 0 "[ . 1 . 2]" 1
418 1 18 VAL HB 1 19 ASP H 4.090 . 4.500 4.126 3.917 4.349 . 0 0 "[ . 1 . 2]" 1
419 1 18 VAL HB 1 33 LYS HB3 4.980 . 5.480 5.180 4.891 5.484 0.004 1 0 "[ . 1 . 2]" 1
420 1 18 VAL HB 1 33 LYS HD2 4.570 . 5.030 4.660 4.372 4.989 . 0 0 "[ . 1 . 2]" 1
421 1 18 VAL HB 1 35 LEU MD2 5.450 . 6.000 4.241 3.846 4.642 . 0 0 "[ . 1 . 2]" 1
422 1 18 VAL MG1 1 33 LYS HD2 5.210 . 5.730 4.237 3.602 5.014 . 0 0 "[ . 1 . 2]" 1
423 1 18 VAL MG1 1 33 LYS HD3 4.720 . 5.190 4.841 4.448 5.230 0.040 15 0 "[ . 1 . 2]" 1
424 1 18 VAL MG1 1 35 LEU HA 3.360 . 3.700 1.880 1.740 2.237 0.060 15 0 "[ . 1 . 2]" 1
425 1 18 VAL MG1 1 35 LEU HG 5.440 . 5.980 3.962 3.745 4.268 . 0 0 "[ . 1 . 2]" 1
426 1 18 VAL MG1 1 37 GLY H 4.630 . 5.090 3.895 3.438 4.282 . 0 0 "[ . 1 . 2]" 1
427 1 18 VAL MG1 1 37 GLY QA 5.340 . 5.870 4.155 3.724 4.613 . 0 0 "[ . 1 . 2]" 1
428 1 18 VAL MG2 1 19 ASP H 3.540 . 3.890 2.690 2.314 3.158 . 0 0 "[ . 1 . 2]" 1
429 1 18 VAL MG2 1 19 ASP HA 4.970 . 5.470 3.963 3.731 4.121 . 0 0 "[ . 1 . 2]" 1
430 1 18 VAL MG2 1 19 ASP HB2 4.360 . 4.800 3.967 2.531 4.440 . 0 0 "[ . 1 . 2]" 1
431 1 18 VAL MG2 1 19 ASP QB 3.750 . 4.130 2.968 2.501 3.482 . 0 0 "[ . 1 . 2]" 1
432 1 18 VAL MG2 1 19 ASP HB3 4.360 . 4.800 3.329 2.625 4.685 . 0 0 "[ . 1 . 2]" 1
433 1 18 VAL MG2 1 20 THR H 5.500 . 6.050 5.666 5.424 5.964 . 0 0 "[ . 1 . 2]" 1
434 1 18 VAL MG2 1 33 LYS H 4.360 . 4.800 4.028 3.523 4.444 . 0 0 "[ . 1 . 2]" 1
435 1 18 VAL MG2 1 33 LYS HA 5.500 . 6.050 4.385 4.226 4.565 . 0 0 "[ . 1 . 2]" 1
436 1 18 VAL MG2 1 33 LYS HB2 3.620 . 3.980 3.746 3.499 4.000 0.020 15 0 "[ . 1 . 2]" 1
437 1 18 VAL MG2 1 33 LYS HB3 3.320 . 3.650 2.371 2.077 2.742 . 0 0 "[ . 1 . 2]" 1
438 1 18 VAL MG2 1 33 LYS HD2 4.370 . 4.810 2.172 1.996 2.505 . 0 0 "[ . 1 . 2]" 1
439 1 18 VAL MG2 1 33 LYS HE2 5.130 . 5.640 4.359 3.877 4.782 . 0 0 "[ . 1 . 2]" 1
440 1 18 VAL MG2 1 33 LYS HE3 4.740 . 5.210 4.224 3.791 4.691 . 0 0 "[ . 1 . 2]" 1
441 1 18 VAL MG2 1 34 GLN H 4.420 . 4.860 4.655 4.329 4.827 . 0 0 "[ . 1 . 2]" 1
442 1 18 VAL MG2 1 34 GLN HA 5.500 . 6.050 4.455 3.936 4.751 . 0 0 "[ . 1 . 2]" 1
443 1 18 VAL MG2 1 35 LEU HA 3.840 . 4.220 3.784 3.238 4.168 . 0 0 "[ . 1 . 2]" 1
444 1 18 VAL MG2 1 37 GLY H 5.000 . 5.500 4.203 3.297 5.068 . 0 0 "[ . 1 . 2]" 1
445 1 18 VAL MG2 1 37 GLY QA 5.340 . 5.870 3.650 2.990 4.511 . 0 0 "[ . 1 . 2]" 1
446 1 19 ASP H 1 19 ASP HB2 4.190 . 4.610 3.574 2.531 3.901 . 0 0 "[ . 1 . 2]" 1
447 1 19 ASP H 1 19 ASP QB 3.620 . 3.980 3.030 2.490 3.291 . 0 0 "[ . 1 . 2]" 1
448 1 19 ASP H 1 19 ASP HB3 4.190 . 4.610 3.365 2.859 3.774 . 0 0 "[ . 1 . 2]" 1
449 1 19 ASP HA 1 20 THR H 2.930 . 3.220 2.504 2.348 2.622 . 0 0 "[ . 1 . 2]" 1
450 1 19 ASP QB 1 20 THR H 3.620 . 3.980 2.369 2.057 3.308 . 0 0 "[ . 1 . 2]" 1
451 1 19 ASP HB2 1 20 THR H 4.280 . 4.710 2.642 2.074 4.068 . 0 0 "[ . 1 . 2]" 1
452 1 19 ASP HB3 1 20 THR H 4.280 . 4.710 3.417 2.533 3.788 . 0 0 "[ . 1 . 2]" 1
453 1 20 THR H 1 20 THR HB 3.390 . 3.730 3.595 2.508 3.676 . 0 0 "[ . 1 . 2]" 1
454 1 20 THR H 1 20 THR MG 3.710 . 4.080 2.404 2.202 3.796 . 0 0 "[ . 1 . 2]" 1
455 1 20 THR HA 1 20 THR MG 3.470 . 3.820 2.370 2.303 2.424 . 0 0 "[ . 1 . 2]" 1
456 1 20 THR HA 1 21 PRO HD2 3.300 . 3.630 2.226 1.918 2.474 . 0 0 "[ . 1 . 2]" 1
457 1 20 THR HA 1 21 PRO HD3 3.170 . 3.490 2.355 2.186 2.580 . 0 0 "[ . 1 . 2]" 1
458 1 20 THR HB 1 50 VAL MG1 5.500 . 6.050 4.884 4.039 6.079 0.029 17 0 "[ . 1 . 2]" 1
459 1 20 THR MG 1 21 PRO HD2 3.520 . 3.870 3.316 2.339 3.469 . 0 0 "[ . 1 . 2]" 1
460 1 20 THR MG 1 50 VAL MG1 4.560 . 5.020 4.625 3.510 5.064 0.044 13 0 "[ . 1 . 2]" 1
461 1 21 PRO HA 1 22 LYS H 2.950 . 3.250 2.168 2.099 2.277 . 0 0 "[ . 1 . 2]" 1
462 1 21 PRO HA 1 31 GLU H 5.220 . 5.740 4.391 3.841 4.884 . 0 0 "[ . 1 . 2]" 1
463 1 21 PRO HA 1 32 PHE HB2 4.280 . 4.710 3.648 3.317 3.951 . 0 0 "[ . 1 . 2]" 1
464 1 21 PRO HA 1 32 PHE HB3 4.100 . 4.510 2.379 1.787 3.109 0.013 13 0 "[ . 1 . 2]" 1
465 1 21 PRO HB2 1 30 TYR HB2 4.750 . 5.220 4.414 3.382 5.054 . 0 0 "[ . 1 . 2]" 1
466 1 21 PRO HB2 1 30 TYR HB3 4.240 . 4.660 2.791 1.805 3.491 . 0 0 "[ . 1 . 2]" 1
467 1 21 PRO HB2 1 30 TYR QD 4.050 . 4.460 2.266 1.903 2.721 . 0 0 "[ . 1 . 2]" 1
468 1 21 PRO HB2 1 32 PHE HB3 4.510 . 4.960 3.635 3.188 4.100 . 0 0 "[ . 1 . 2]" 1
469 1 21 PRO HB2 1 32 PHE QD 4.800 . 5.280 4.162 3.448 5.133 . 0 0 "[ . 1 . 2]" 1
470 1 21 PRO HB2 1 50 VAL MG1 5.150 . 5.670 4.413 3.546 4.956 . 0 0 "[ . 1 . 2]" 1
471 1 21 PRO HB3 1 22 LYS H 3.940 . 4.330 3.952 3.651 4.283 . 0 0 "[ . 1 . 2]" 1
472 1 21 PRO HB3 1 30 TYR HB3 4.120 . 4.530 3.406 2.787 4.114 . 0 0 "[ . 1 . 2]" 1
473 1 21 PRO HB3 1 30 TYR QD 4.210 . 4.630 3.819 3.492 4.256 . 0 0 "[ . 1 . 2]" 1
474 1 21 PRO HB3 1 32 PHE HB2 4.290 . 4.720 3.557 3.079 4.073 . 0 0 "[ . 1 . 2]" 1
475 1 21 PRO HB3 1 32 PHE HB3 3.870 . 4.260 2.208 1.786 2.848 0.014 3 0 "[ . 1 . 2]" 1
476 1 21 PRO HB3 1 32 PHE QD 4.180 . 4.600 3.333 2.568 4.335 . 0 0 "[ . 1 . 2]" 1
477 1 21 PRO HB3 1 50 VAL MG1 5.500 . 6.050 4.503 3.909 5.321 . 0 0 "[ . 1 . 2]" 1
478 1 21 PRO HD2 1 50 VAL MG1 3.860 . 4.250 3.184 2.665 3.653 . 0 0 "[ . 1 . 2]" 1
479 1 21 PRO HD2 1 50 VAL MG2 5.500 . 6.050 4.877 4.310 5.420 . 0 0 "[ . 1 . 2]" 1
480 1 21 PRO HD3 1 50 VAL MG1 4.290 . 4.720 3.610 3.208 4.473 . 0 0 "[ . 1 . 2]" 1
481 1 21 PRO HG2 1 22 LYS H 4.790 . 5.270 4.963 4.576 5.208 . 0 0 "[ . 1 . 2]" 1
482 1 21 PRO HG2 1 32 PHE HB3 5.230 . 5.750 4.995 4.677 5.643 . 0 0 "[ . 1 . 2]" 1
483 1 21 PRO HG2 1 50 VAL MG1 4.020 . 4.420 2.755 2.138 3.306 . 0 0 "[ . 1 . 2]" 1
484 1 21 PRO HG2 1 50 VAL MG2 4.380 . 4.820 3.556 3.016 4.212 . 0 0 "[ . 1 . 2]" 1
485 1 21 PRO HG3 1 30 TYR HB3 5.290 . 5.820 4.850 4.016 5.716 . 0 0 "[ . 1 . 2]" 1
486 1 21 PRO HG3 1 30 TYR QE 5.500 . 6.050 5.358 4.912 5.725 . 0 0 "[ . 1 . 2]" 1
487 1 21 PRO HG3 1 32 PHE HB2 5.500 . 6.050 5.144 4.731 5.677 . 0 0 "[ . 1 . 2]" 1
488 1 21 PRO HG3 1 32 PHE HB3 4.440 . 4.880 4.274 3.855 4.899 0.019 10 0 "[ . 1 . 2]" 1
489 1 21 PRO HG3 1 50 VAL MG1 4.990 . 5.490 2.585 2.025 3.444 . 0 0 "[ . 1 . 2]" 1
490 1 21 PRO HG3 1 50 VAL MG2 5.500 . 6.050 3.327 2.914 4.032 . 0 0 "[ . 1 . 2]" 1
491 1 22 LYS H 1 22 LYS HB2 3.550 . 3.900 2.840 2.582 3.200 . 0 0 "[ . 1 . 2]" 1
492 1 22 LYS H 1 22 LYS QB 3.100 . 3.410 2.295 2.206 2.391 . 0 0 "[ . 1 . 2]" 1
493 1 22 LYS H 1 22 LYS HB3 3.550 . 3.900 2.437 2.290 2.587 . 0 0 "[ . 1 . 2]" 1
494 1 22 LYS H 1 22 LYS HG2 4.880 . 5.370 4.356 4.208 4.485 . 0 0 "[ . 1 . 2]" 1
495 1 22 LYS H 1 22 LYS QG 4.270 . 4.700 3.984 3.918 4.061 . 0 0 "[ . 1 . 2]" 1
496 1 22 LYS H 1 22 LYS HG3 4.880 . 5.370 4.621 4.504 4.729 . 0 0 "[ . 1 . 2]" 1
497 1 22 LYS H 1 23 TYR H 4.590 . 5.050 4.486 4.330 4.614 . 0 0 "[ . 1 . 2]" 1
498 1 22 LYS H 1 31 GLU H 3.850 . 4.230 3.016 2.537 3.644 . 0 0 "[ . 1 . 2]" 1
499 1 22 LYS H 1 32 PHE HB2 5.500 . 6.050 5.377 4.843 5.667 . 0 0 "[ . 1 . 2]" 1
500 1 22 LYS H 1 32 PHE HB3 4.260 . 4.690 3.977 3.338 4.298 . 0 0 "[ . 1 . 2]" 1
501 1 22 LYS HA 1 22 LYS HD2 5.340 . 5.870 4.644 4.408 4.912 . 0 0 "[ . 1 . 2]" 1
502 1 22 LYS HA 1 22 LYS QD 4.530 . 4.980 4.176 4.006 4.308 . 0 0 "[ . 1 . 2]" 1
503 1 22 LYS HA 1 22 LYS HD3 5.340 . 5.870 4.757 4.313 4.945 . 0 0 "[ . 1 . 2]" 1
504 1 22 LYS HA 1 23 TYR H 2.990 . 3.290 2.213 2.163 2.283 . 0 0 "[ . 1 . 2]" 1
505 1 22 LYS HA 1 31 GLU H 5.500 . 6.050 4.582 4.381 4.815 . 0 0 "[ . 1 . 2]" 1
506 1 22 LYS QB 1 23 TYR H 4.380 . 4.820 3.791 3.619 3.932 . 0 0 "[ . 1 . 2]" 1
507 1 22 LYS QB 1 31 GLU H 5.040 . 5.540 3.196 2.705 3.642 . 0 0 "[ . 1 . 2]" 1
508 1 22 LYS HB2 1 23 TYR H 5.100 . 5.610 4.258 4.074 4.464 . 0 0 "[ . 1 . 2]" 1
509 1 22 LYS HB3 1 23 TYR H 5.100 . 5.610 4.260 3.942 4.467 . 0 0 "[ . 1 . 2]" 1
510 1 22 LYS HD2 1 23 TYR H 5.500 . 6.050 5.391 4.733 5.884 . 0 0 "[ . 1 . 2]" 1
511 1 22 LYS HD3 1 23 TYR H 5.500 . 6.050 5.423 4.846 5.931 . 0 0 "[ . 1 . 2]" 1
512 1 22 LYS QE 1 22 LYS QG 3.260 . 3.590 2.438 2.152 2.821 . 0 0 "[ . 1 . 2]" 1
513 1 22 LYS HG2 1 23 TYR H 4.740 . 5.210 3.114 2.431 3.715 . 0 0 "[ . 1 . 2]" 1
514 1 22 LYS HG3 1 23 TYR H 4.740 . 5.210 3.347 3.004 3.699 . 0 0 "[ . 1 . 2]" 1
515 1 23 TYR H 1 23 TYR HB2 3.640 . 4.000 2.843 2.721 3.017 . 0 0 "[ . 1 . 2]" 1
516 1 23 TYR H 1 23 TYR HB3 3.820 . 4.200 2.461 2.352 2.599 . 0 0 "[ . 1 . 2]" 1
517 1 23 TYR H 1 23 TYR QD 4.980 . 5.480 4.248 4.183 4.335 . 0 0 "[ . 1 . 2]" 1
518 1 23 TYR H 1 24 ASP H 5.200 . 5.720 4.461 4.269 4.547 . 0 0 "[ . 1 . 2]" 1
519 1 23 TYR HA 1 24 ASP H 3.000 . 3.300 2.160 2.135 2.186 . 0 0 "[ . 1 . 2]" 1
520 1 23 TYR HA 1 30 TYR HA 3.990 . 4.390 2.544 2.246 2.938 . 0 0 "[ . 1 . 2]" 1
521 1 23 TYR HA 1 31 GLU H 4.830 . 5.310 3.729 3.286 4.175 . 0 0 "[ . 1 . 2]" 1
522 1 23 TYR HB2 1 24 ASP H 5.170 . 5.690 4.255 4.090 4.400 . 0 0 "[ . 1 . 2]" 1
523 1 23 TYR HB2 1 30 TYR QD 4.370 . 4.810 3.419 2.991 4.188 . 0 0 "[ . 1 . 2]" 1
524 1 23 TYR HB2 1 30 TYR QE 4.000 . 4.400 2.630 2.346 3.438 . 0 0 "[ . 1 . 2]" 1
525 1 23 TYR HB3 1 24 ASP H 5.500 . 6.050 4.304 4.137 4.459 . 0 0 "[ . 1 . 2]" 1
526 1 23 TYR QD 1 24 ASP H 4.010 . 4.410 3.243 2.631 3.599 . 0 0 "[ . 1 . 2]" 1
527 1 23 TYR QD 1 25 GLU H 5.160 . 5.680 4.271 3.907 4.714 . 0 0 "[ . 1 . 2]" 1
528 1 23 TYR QD 1 30 TYR QD 5.340 . 5.870 3.385 3.171 3.679 . 0 0 "[ . 1 . 2]" 1
529 1 23 TYR QD 1 44 LYS HB2 5.500 . 6.050 4.540 3.765 5.042 . 0 0 "[ . 1 . 2]" 1
530 1 23 TYR QD 1 44 LYS HB3 5.500 . 6.050 3.646 3.117 4.376 . 0 0 "[ . 1 . 2]" 1
531 1 23 TYR QE 1 25 GLU H 4.870 . 5.360 4.408 4.092 5.029 . 0 0 "[ . 1 . 2]" 1
532 1 23 TYR QE 1 25 GLU HA 4.160 . 4.580 3.076 2.332 3.939 . 0 0 "[ . 1 . 2]" 1
533 1 23 TYR QE 1 25 GLU HB2 4.370 . 4.810 3.030 2.444 4.055 . 0 0 "[ . 1 . 2]" 1
534 1 23 TYR QE 1 25 GLU HG3 4.420 . 4.860 3.428 2.340 4.638 . 0 0 "[ . 1 . 2]" 1
535 1 23 TYR QE 1 28 GLY H 5.500 . 6.050 4.871 4.151 5.662 . 0 0 "[ . 1 . 2]" 1
536 1 23 TYR QE 1 28 GLY HA2 4.160 . 4.580 3.193 2.257 4.135 . 0 0 "[ . 1 . 2]" 1
537 1 23 TYR QE 1 28 GLY HA3 4.940 . 5.430 4.439 3.517 5.468 0.038 8 0 "[ . 1 . 2]" 1
538 1 23 TYR QE 1 44 LYS H 5.500 . 6.050 4.338 3.705 4.885 . 0 0 "[ . 1 . 2]" 1
539 1 23 TYR QE 1 44 LYS HB2 4.510 . 4.960 3.150 2.348 3.806 . 0 0 "[ . 1 . 2]" 1
540 1 23 TYR QE 1 44 LYS HB3 4.780 . 5.260 2.168 1.807 2.660 . 0 0 "[ . 1 . 2]" 1
541 1 23 TYR QE 1 44 LYS HD2 5.330 . 5.860 3.263 2.311 4.265 . 0 0 "[ . 1 . 2]" 1
542 1 23 TYR QE 1 44 LYS QD 4.560 . 5.020 2.541 1.784 3.401 0.016 2 0 "[ . 1 . 2]" 1
543 1 23 TYR QE 1 44 LYS HD3 5.330 . 5.860 3.107 1.796 4.722 0.004 2 0 "[ . 1 . 2]" 1
544 1 24 ASP H 1 24 ASP HB2 3.650 . 4.020 2.881 2.682 3.262 . 0 0 "[ . 1 . 2]" 1
545 1 24 ASP H 1 24 ASP HB3 3.370 . 3.710 2.561 2.365 2.695 . 0 0 "[ . 1 . 2]" 1
546 1 24 ASP H 1 25 GLU H 4.940 . 5.430 4.280 4.043 4.441 . 0 0 "[ . 1 . 2]" 1
547 1 24 ASP H 1 29 PHE H 4.550 . 5.010 3.833 3.652 4.063 . 0 0 "[ . 1 . 2]" 1
548 1 24 ASP H 1 30 TYR HA 4.310 . 4.740 3.277 2.921 3.682 . 0 0 "[ . 1 . 2]" 1
549 1 24 ASP HA 1 25 GLU H 2.630 . 2.890 2.168 2.129 2.206 . 0 0 "[ . 1 . 2]" 1
550 1 24 ASP HA 1 25 GLU HB2 4.970 . 5.470 4.575 4.391 4.707 . 0 0 "[ . 1 . 2]" 1
551 1 24 ASP HA 1 25 GLU HB3 5.440 . 5.980 4.614 4.440 4.758 . 0 0 "[ . 1 . 2]" 1
552 1 24 ASP HA 1 26 GLU H 4.180 . 4.600 3.724 3.470 4.046 . 0 0 "[ . 1 . 2]" 1
553 1 24 ASP HB2 1 27 SER H 5.500 . 6.050 4.661 4.437 4.849 . 0 0 "[ . 1 . 2]" 1
554 1 24 ASP HB2 1 29 PHE H 4.880 . 5.370 4.598 3.850 5.381 0.011 12 0 "[ . 1 . 2]" 1
555 1 24 ASP HB3 1 25 GLU H 4.940 . 5.430 4.358 4.181 4.502 . 0 0 "[ . 1 . 2]" 1
556 1 24 ASP HB3 1 27 SER H 4.460 . 4.910 3.486 3.044 4.063 . 0 0 "[ . 1 . 2]" 1
557 1 24 ASP HB3 1 28 GLY H 4.300 . 4.730 3.470 3.121 4.044 . 0 0 "[ . 1 . 2]" 1
558 1 24 ASP HB3 1 29 PHE H 3.810 . 4.190 2.924 2.214 3.677 . 0 0 "[ . 1 . 2]" 1
559 1 24 ASP HB3 1 29 PHE QD 5.430 . 5.970 4.564 4.050 5.476 . 0 0 "[ . 1 . 2]" 1
560 1 25 GLU H 1 25 GLU HB2 2.970 . 3.270 2.559 2.401 2.682 . 0 0 "[ . 1 . 2]" 1
561 1 25 GLU H 1 25 GLU HB3 3.210 . 3.530 2.492 2.349 2.631 . 0 0 "[ . 1 . 2]" 1
562 1 25 GLU H 1 25 GLU HG2 4.970 . 5.470 4.449 4.338 4.530 . 0 0 "[ . 1 . 2]" 1
563 1 25 GLU H 1 25 GLU HG3 5.320 . 5.850 4.484 4.380 4.543 . 0 0 "[ . 1 . 2]" 1
564 1 25 GLU H 1 26 GLU H 3.160 . 3.480 2.602 2.442 2.743 . 0 0 "[ . 1 . 2]" 1
565 1 25 GLU H 1 26 GLU QG 3.540 . 3.890 3.880 3.722 3.946 0.056 8 0 "[ . 1 . 2]" 1
566 1 25 GLU H 1 27 SER H 5.030 . 5.530 4.575 4.291 4.833 . 0 0 "[ . 1 . 2]" 1
567 1 25 GLU HA 1 26 GLU QG 5.150 . 5.670 5.154 4.861 5.334 . 0 0 "[ . 1 . 2]" 1
568 1 25 GLU HA 1 28 GLY H 4.050 . 4.460 3.613 2.951 4.053 . 0 0 "[ . 1 . 2]" 1
569 1 25 GLU HA 1 28 GLY HA2 4.910 . 5.400 3.448 2.559 3.989 . 0 0 "[ . 1 . 2]" 1
570 1 25 GLU HA 1 28 GLY HA3 5.310 . 5.840 4.997 4.175 5.537 . 0 0 "[ . 1 . 2]" 1
571 1 25 GLU HB3 1 26 GLU H 3.320 . 3.650 2.941 2.659 3.274 . 0 0 "[ . 1 . 2]" 1
572 1 25 GLU HG2 1 26 GLU H 4.620 . 5.080 4.039 3.565 4.478 . 0 0 "[ . 1 . 2]" 1
573 1 26 GLU H 1 26 GLU HB2 2.730 . 3.000 2.550 2.446 2.702 . 0 0 "[ . 1 . 2]" 1
574 1 26 GLU H 1 26 GLU HG2 3.920 . 4.310 2.504 1.968 3.615 . 0 0 "[ . 1 . 2]" 1
575 1 26 GLU H 1 26 GLU QG 3.320 . 3.650 2.126 1.958 2.312 . 0 0 "[ . 1 . 2]" 1
576 1 26 GLU H 1 26 GLU HG3 3.920 . 4.310 3.173 2.023 3.722 . 0 0 "[ . 1 . 2]" 1
577 1 26 GLU H 1 27 SER H 3.340 . 3.670 2.739 2.502 2.886 . 0 0 "[ . 1 . 2]" 1
578 1 26 GLU H 1 28 GLY H 3.980 . 4.380 3.779 3.636 3.944 . 0 0 "[ . 1 . 2]" 1
579 1 26 GLU HA 1 26 GLU HG2 4.130 . 4.540 2.995 2.556 3.326 . 0 0 "[ . 1 . 2]" 1
580 1 26 GLU HA 1 26 GLU QG 3.580 . 3.940 2.849 2.427 3.126 . 0 0 "[ . 1 . 2]" 1
581 1 26 GLU HA 1 26 GLU HG3 4.130 . 4.540 3.576 2.938 3.819 . 0 0 "[ . 1 . 2]" 1
582 1 26 GLU HB2 1 26 GLU HG2 2.920 . 3.210 2.608 2.398 3.019 . 0 0 "[ . 1 . 2]" 1
583 1 26 GLU HB2 1 26 GLU HG3 2.920 . 3.210 2.439 2.399 2.517 . 0 0 "[ . 1 . 2]" 1
584 1 26 GLU HB2 1 27 SER H 3.310 . 3.640 2.505 2.294 2.870 . 0 0 "[ . 1 . 2]" 1
585 1 26 GLU HB2 1 28 GLY H 4.540 . 4.990 4.624 4.232 4.836 . 0 0 "[ . 1 . 2]" 1
586 1 27 SER H 1 27 SER HB2 3.970 . 4.370 3.041 2.454 3.699 . 0 0 "[ . 1 . 2]" 1
587 1 27 SER H 1 27 SER QB 3.490 . 3.840 2.549 2.336 2.743 . 0 0 "[ . 1 . 2]" 1
588 1 27 SER H 1 27 SER HB3 3.970 . 4.370 3.051 2.596 3.693 . 0 0 "[ . 1 . 2]" 1
589 1 27 SER H 1 28 GLY H 3.000 . 3.300 2.245 2.000 2.445 . 0 0 "[ . 1 . 2]" 1
590 1 27 SER H 1 29 PHE H 4.600 . 5.060 3.866 3.503 4.109 . 0 0 "[ . 1 . 2]" 1
591 1 27 SER QB 1 29 PHE H 4.010 . 4.410 3.070 2.550 3.550 . 0 0 "[ . 1 . 2]" 1
592 1 27 SER QB 1 29 PHE QD 3.690 . 4.060 2.015 1.772 2.525 0.028 11 0 "[ . 1 . 2]" 1
593 1 27 SER QB 1 29 PHE QE 5.340 . 5.870 2.927 2.206 4.163 . 0 0 "[ . 1 . 2]" 1
594 1 27 SER HB2 1 29 PHE H 4.700 . 5.170 3.673 2.607 4.975 . 0 0 "[ . 1 . 2]" 1
595 1 27 SER HB2 1 29 PHE QD 4.230 . 4.650 2.639 1.802 3.881 . 0 0 "[ . 1 . 2]" 1
596 1 27 SER HB3 1 29 PHE H 4.700 . 5.170 3.736 2.744 4.398 . 0 0 "[ . 1 . 2]" 1
597 1 27 SER HB3 1 29 PHE QD 4.230 . 4.650 2.582 1.800 3.606 0.000 11 0 "[ . 1 . 2]" 1
598 1 28 GLY H 1 28 GLY HA2 2.900 . 3.190 2.347 2.321 2.458 . 0 0 "[ . 1 . 2]" 1
599 1 28 GLY H 1 29 PHE H 3.250 . 3.580 2.446 2.144 2.604 . 0 0 "[ . 1 . 2]" 1
600 1 28 GLY H 1 29 PHE QD 4.870 . 5.360 4.403 3.927 4.698 . 0 0 "[ . 1 . 2]" 1
601 1 28 GLY HA2 1 44 LYS HB3 4.750 . 5.220 3.983 3.249 4.672 . 0 0 "[ . 1 . 2]" 1
602 1 28 GLY HA2 1 44 LYS QD 4.510 . 4.960 2.957 2.310 3.831 . 0 0 "[ . 1 . 2]" 1
603 1 28 GLY HA3 1 44 LYS HB3 5.140 . 5.650 4.510 3.600 5.286 . 0 0 "[ . 1 . 2]" 1
604 1 28 GLY HA3 1 44 LYS QD 4.510 . 4.960 3.422 2.679 4.504 . 0 0 "[ . 1 . 2]" 1
605 1 29 PHE H 1 29 PHE HB2 3.980 . 4.380 2.531 2.431 2.657 . 0 0 "[ . 1 . 2]" 1
606 1 29 PHE H 1 29 PHE QB 3.270 . 3.600 2.490 2.397 2.608 . 0 0 "[ . 1 . 2]" 1
607 1 29 PHE H 1 29 PHE HB3 3.980 . 4.380 3.706 3.651 3.788 . 0 0 "[ . 1 . 2]" 1
608 1 29 PHE H 1 29 PHE QD 3.780 . 4.160 2.994 2.778 3.226 . 0 0 "[ . 1 . 2]" 1
609 1 29 PHE H 1 30 TYR H 5.110 . 5.620 4.558 4.497 4.602 . 0 0 "[ . 1 . 2]" 1
610 1 29 PHE HA 1 30 TYR H 3.100 . 3.410 2.324 2.230 2.446 . 0 0 "[ . 1 . 2]" 1
611 1 29 PHE HA 1 42 ILE H 5.060 . 5.570 4.263 3.852 4.567 . 0 0 "[ . 1 . 2]" 1
612 1 29 PHE HA 1 43 ASN HA 3.490 . 3.840 2.445 2.142 2.872 . 0 0 "[ . 1 . 2]" 1
613 1 29 PHE HA 1 44 LYS H 3.840 . 4.220 3.274 2.979 3.564 . 0 0 "[ . 1 . 2]" 1
614 1 29 PHE QB 1 41 ARG HB2 4.580 . 5.040 3.412 3.048 4.156 . 0 0 "[ . 1 . 2]" 1
615 1 29 PHE QB 1 41 ARG HB3 4.410 . 4.850 1.991 1.783 2.589 0.017 20 0 "[ . 1 . 2]" 1
616 1 29 PHE QB 1 41 ARG HG2 4.380 . 4.820 3.635 3.360 4.042 . 0 0 "[ . 1 . 2]" 1
617 1 29 PHE QB 1 42 ILE H 4.330 . 4.760 3.070 2.434 3.543 . 0 0 "[ . 1 . 2]" 1
618 1 29 PHE HB2 1 30 TYR H 3.960 . 4.360 3.757 3.493 3.997 . 0 0 "[ . 1 . 2]" 1
619 1 29 PHE HB2 1 41 ARG HG2 5.010 . 5.510 4.258 3.604 4.822 . 0 0 "[ . 1 . 2]" 1
620 1 29 PHE HB3 1 30 TYR H 3.960 . 4.360 2.591 2.292 2.833 . 0 0 "[ . 1 . 2]" 1
621 1 29 PHE HB3 1 41 ARG HG2 5.010 . 5.510 3.979 3.696 4.502 . 0 0 "[ . 1 . 2]" 1
622 1 29 PHE QD 1 41 ARG HB3 5.140 . 5.650 3.529 3.188 3.750 . 0 0 "[ . 1 . 2]" 1
623 1 29 PHE QD 1 42 ILE H 4.320 . 4.750 3.830 3.523 4.202 . 0 0 "[ . 1 . 2]" 1
624 1 29 PHE QD 1 42 ILE HG12 5.300 . 5.830 4.884 4.726 5.315 . 0 0 "[ . 1 . 2]" 1
625 1 29 PHE QD 1 42 ILE HG13 5.300 . 5.830 5.020 4.706 5.672 . 0 0 "[ . 1 . 2]" 1
626 1 29 PHE QD 1 43 ASN H 4.710 . 5.180 3.005 2.777 3.339 . 0 0 "[ . 1 . 2]" 1
627 1 29 PHE QD 1 43 ASN HA 4.840 . 5.320 2.266 1.769 2.786 0.031 3 0 "[ . 1 . 2]" 1
628 1 29 PHE QD 1 44 LYS H 5.000 . 5.500 4.344 3.669 4.837 . 0 0 "[ . 1 . 2]" 1
629 1 29 PHE QE 1 43 ASN H 4.520 . 4.970 3.579 3.205 4.306 . 0 0 "[ . 1 . 2]" 1
630 1 29 PHE QE 1 43 ASN HB2 4.690 . 5.160 2.596 2.270 3.088 . 0 0 "[ . 1 . 2]" 1
631 1 30 TYR H 1 30 TYR HB2 3.490 . 3.840 2.394 2.353 2.502 . 0 0 "[ . 1 . 2]" 1
632 1 30 TYR H 1 30 TYR QD 3.910 . 4.300 2.716 2.471 3.148 . 0 0 "[ . 1 . 2]" 1
633 1 30 TYR H 1 42 ILE H 3.900 . 4.290 2.640 2.213 2.932 . 0 0 "[ . 1 . 2]" 1
634 1 30 TYR H 1 42 ILE MG 4.730 . 5.200 3.184 2.810 3.491 . 0 0 "[ . 1 . 2]" 1
635 1 30 TYR H 1 43 ASN HA 4.810 . 5.290 3.899 3.690 4.235 . 0 0 "[ . 1 . 2]" 1
636 1 30 TYR H 1 44 LYS H 5.240 . 5.760 4.747 4.433 5.207 . 0 0 "[ . 1 . 2]" 1
637 1 30 TYR HA 1 30 TYR QD 4.300 . 4.730 3.066 2.892 3.151 . 0 0 "[ . 1 . 2]" 1
638 1 30 TYR HA 1 31 GLU H 3.130 . 3.440 2.175 2.147 2.208 . 0 0 "[ . 1 . 2]" 1
639 1 30 TYR HB2 1 31 GLU H 4.210 . 4.630 4.313 4.226 4.403 . 0 0 "[ . 1 . 2]" 1
640 1 30 TYR HB2 1 42 ILE H 4.410 . 4.850 3.293 3.042 3.642 . 0 0 "[ . 1 . 2]" 1
641 1 30 TYR HB2 1 42 ILE MG 4.320 . 4.750 2.454 1.946 3.022 . 0 0 "[ . 1 . 2]" 1
642 1 30 TYR HB3 1 31 GLU H 4.000 . 4.400 3.315 3.155 3.452 . 0 0 "[ . 1 . 2]" 1
643 1 30 TYR HB3 1 32 PHE H 5.200 . 5.720 5.162 4.949 5.341 . 0 0 "[ . 1 . 2]" 1
644 1 30 TYR HB3 1 42 ILE H 5.500 . 6.050 4.455 4.260 4.623 . 0 0 "[ . 1 . 2]" 1
645 1 30 TYR HB3 1 42 ILE MG 4.480 . 4.930 3.629 3.082 4.197 . 0 0 "[ . 1 . 2]" 1
646 1 30 TYR QD 1 31 GLU H 4.590 . 5.050 4.101 3.843 4.429 . 0 0 "[ . 1 . 2]" 1
647 1 30 TYR QD 1 42 ILE MG 4.530 . 4.980 3.317 2.871 3.883 . 0 0 "[ . 1 . 2]" 1
648 1 30 TYR QD 1 44 LYS H 5.500 . 6.050 3.984 3.770 4.111 . 0 0 "[ . 1 . 2]" 1
649 1 30 TYR QD 1 44 LYS HA 3.930 . 4.320 2.502 1.961 3.253 . 0 0 "[ . 1 . 2]" 1
650 1 30 TYR QD 1 44 LYS HB2 5.500 . 6.050 4.382 3.785 5.187 . 0 0 "[ . 1 . 2]" 1
651 1 30 TYR QD 1 44 LYS HB3 5.500 . 6.050 3.595 2.916 4.269 . 0 0 "[ . 1 . 2]" 1
652 1 30 TYR QE 1 44 LYS HA 3.510 . 3.860 1.958 1.714 2.411 0.086 6 0 "[ . 1 . 2]" 1
653 1 30 TYR QE 1 44 LYS HB2 4.200 . 4.620 2.611 2.213 3.191 . 0 0 "[ . 1 . 2]" 1
654 1 30 TYR QE 1 44 LYS QD 5.340 . 5.870 4.460 3.806 4.932 . 0 0 "[ . 1 . 2]" 1
655 1 30 TYR QE 1 44 LYS QG 5.340 . 5.870 4.263 4.033 4.559 . 0 0 "[ . 1 . 2]" 1
656 1 30 TYR QE 1 47 VAL HB 4.430 . 4.870 4.290 3.818 4.752 . 0 0 "[ . 1 . 2]" 1
657 1 30 TYR QE 1 50 VAL MG2 4.670 . 5.140 3.811 2.872 4.391 . 0 0 "[ . 1 . 2]" 1
658 1 31 GLU H 1 31 GLU HB2 3.420 . 3.760 2.551 2.434 2.627 . 0 0 "[ . 1 . 2]" 1
659 1 31 GLU H 1 31 GLU HG2 4.210 . 4.630 3.646 3.425 3.925 . 0 0 "[ . 1 . 2]" 1
660 1 31 GLU H 1 31 GLU HG3 3.800 . 4.180 2.532 2.328 2.758 . 0 0 "[ . 1 . 2]" 1
661 1 31 GLU H 1 32 PHE H 4.800 . 5.280 4.411 4.378 4.450 . 0 0 "[ . 1 . 2]" 1
662 1 31 GLU H 1 32 PHE QD 4.870 . 5.360 4.153 3.937 4.422 . 0 0 "[ . 1 . 2]" 1
663 1 31 GLU HA 1 31 GLU HG3 4.060 . 4.470 3.185 2.891 3.312 . 0 0 "[ . 1 . 2]" 1
664 1 31 GLU HA 1 32 PHE H 2.810 . 3.090 2.176 2.152 2.208 . 0 0 "[ . 1 . 2]" 1
665 1 31 GLU HA 1 41 ARG HA 3.830 . 4.210 2.842 2.459 3.188 . 0 0 "[ . 1 . 2]" 1
666 1 31 GLU HA 1 41 ARG HG2 4.920 . 5.410 2.548 2.071 3.506 . 0 0 "[ . 1 . 2]" 1
667 1 31 GLU HA 1 42 ILE H 5.100 . 5.610 4.398 3.963 4.781 . 0 0 "[ . 1 . 2]" 1
668 1 31 GLU HB2 1 31 GLU HG3 2.550 . 2.800 2.442 2.385 2.535 . 0 0 "[ . 1 . 2]" 1
669 1 31 GLU HB3 1 31 GLU HG2 2.730 . 3.000 2.457 2.359 2.512 . 0 0 "[ . 1 . 2]" 1
670 1 31 GLU HB3 1 32 PHE H 3.610 . 3.970 3.493 3.362 3.552 . 0 0 "[ . 1 . 2]" 1
671 1 31 GLU HB3 1 39 GLN HE21 4.770 . 5.250 3.089 1.933 4.730 . 0 0 "[ . 1 . 2]" 1
672 1 31 GLU HB3 1 39 GLN HE22 5.300 . 5.830 3.968 3.188 5.012 . 0 0 "[ . 1 . 2]" 1
673 1 31 GLU HB3 1 41 ARG HA 5.460 . 6.010 5.069 4.479 5.535 . 0 0 "[ . 1 . 2]" 1
674 1 31 GLU HB3 1 41 ARG HG2 4.420 . 4.860 3.594 2.996 4.201 . 0 0 "[ . 1 . 2]" 1
675 1 31 GLU HG2 1 32 PHE H 5.100 . 5.610 4.616 4.475 4.763 . 0 0 "[ . 1 . 2]" 1
676 1 31 GLU HG2 1 41 ARG HA 5.370 . 5.910 4.126 3.280 4.766 . 0 0 "[ . 1 . 2]" 1
677 1 31 GLU HG2 1 41 ARG HG2 4.440 . 4.880 1.969 1.749 2.434 0.051 1 0 "[ . 1 . 2]" 1
678 1 31 GLU HG3 1 32 PHE H 5.260 . 5.790 5.236 4.991 5.328 . 0 0 "[ . 1 . 2]" 1
679 1 31 GLU HG3 1 41 ARG HA 5.460 . 6.010 4.931 4.224 5.515 . 0 0 "[ . 1 . 2]" 1
680 1 31 GLU HG3 1 41 ARG HG2 4.510 . 4.960 3.317 2.929 3.788 . 0 0 "[ . 1 . 2]" 1
681 1 32 PHE H 1 32 PHE QD 3.740 . 4.110 2.720 2.588 2.849 . 0 0 "[ . 1 . 2]" 1
682 1 32 PHE H 1 32 PHE QE 4.660 . 5.130 4.186 4.038 4.291 . 0 0 "[ . 1 . 2]" 1
683 1 32 PHE H 1 33 LYS H 5.220 . 5.740 4.386 4.304 4.446 . 0 0 "[ . 1 . 2]" 1
684 1 32 PHE H 1 39 GLN HA 4.820 . 5.300 4.330 4.115 4.615 . 0 0 "[ . 1 . 2]" 1
685 1 32 PHE H 1 39 GLN QG 3.850 . 4.230 3.288 2.671 3.667 . 0 0 "[ . 1 . 2]" 1
686 1 32 PHE H 1 40 THR H 3.850 . 4.230 3.271 2.938 3.506 . 0 0 "[ . 1 . 2]" 1
687 1 32 PHE H 1 40 THR MG 4.630 . 5.090 3.924 3.478 4.332 . 0 0 "[ . 1 . 2]" 1
688 1 32 PHE H 1 41 ARG HA 4.700 . 5.170 3.715 3.477 4.035 . 0 0 "[ . 1 . 2]" 1
689 1 32 PHE HA 1 33 LYS H 3.240 . 3.560 2.281 2.210 2.461 . 0 0 "[ . 1 . 2]" 1
690 1 32 PHE HB2 1 33 LYS H 3.370 . 3.710 2.766 2.251 3.037 . 0 0 "[ . 1 . 2]" 1
691 1 32 PHE HB2 1 33 LYS HB2 5.500 . 6.050 5.484 5.078 5.706 . 0 0 "[ . 1 . 2]" 1
692 1 32 PHE HB2 1 33 LYS HB3 5.500 . 6.050 5.147 4.745 5.281 . 0 0 "[ . 1 . 2]" 1
693 1 32 PHE HB3 1 33 LYS H 4.080 . 4.490 3.913 3.606 4.064 . 0 0 "[ . 1 . 2]" 1
694 1 32 PHE QD 1 33 LYS H 4.320 . 4.750 3.900 3.398 4.173 . 0 0 "[ . 1 . 2]" 1
695 1 32 PHE QD 1 34 GLN H 4.770 . 5.250 3.971 3.724 4.302 . 0 0 "[ . 1 . 2]" 1
696 1 32 PHE QD 1 34 GLN HG2 5.380 . 5.920 3.423 2.923 3.852 . 0 0 "[ . 1 . 2]" 1
697 1 32 PHE QD 1 34 GLN HG3 5.250 . 5.780 3.545 2.754 3.966 . 0 0 "[ . 1 . 2]" 1
698 1 32 PHE QE 1 34 GLN HG2 4.310 . 4.740 2.669 2.258 3.168 . 0 0 "[ . 1 . 2]" 1
699 1 32 PHE QE 1 34 GLN HG3 4.510 . 4.960 3.276 2.658 3.863 . 0 0 "[ . 1 . 2]" 1
700 1 32 PHE QE 1 40 THR MG 3.720 . 4.090 2.801 2.617 3.104 . 0 0 "[ . 1 . 2]" 1
701 1 32 PHE QE 1 41 ARG HA 5.400 . 5.940 3.485 3.075 4.372 . 0 0 "[ . 1 . 2]" 1
702 1 32 PHE QE 1 42 ILE H 4.810 . 5.290 2.897 2.343 3.538 . 0 0 "[ . 1 . 2]" 1
703 1 32 PHE QE 1 42 ILE HB 4.090 . 4.500 2.987 2.083 3.657 . 0 0 "[ . 1 . 2]" 1
704 1 32 PHE QE 1 42 ILE MD 4.630 . 5.090 4.102 3.451 4.686 . 0 0 "[ . 1 . 2]" 1
705 1 32 PHE QE 1 42 ILE MG 4.700 . 5.170 1.851 1.776 2.173 0.024 16 0 "[ . 1 . 2]" 1
706 1 33 LYS H 1 33 LYS HB2 3.370 . 3.710 2.802 2.663 2.967 . 0 0 "[ . 1 . 2]" 1
707 1 33 LYS H 1 33 LYS HB3 3.410 . 3.750 2.555 2.454 2.642 . 0 0 "[ . 1 . 2]" 1
708 1 33 LYS HA 1 33 LYS HE3 4.260 . 4.690 4.382 4.128 4.666 . 0 0 "[ . 1 . 2]" 1
709 1 33 LYS HA 1 34 GLN H 2.640 . 2.900 2.165 2.139 2.191 . 0 0 "[ . 1 . 2]" 1
710 1 33 LYS HA 1 40 THR H 4.360 . 4.800 3.396 3.075 3.754 . 0 0 "[ . 1 . 2]" 1
711 1 33 LYS HB2 1 34 GLN H 4.910 . 5.400 4.437 4.369 4.499 . 0 0 "[ . 1 . 2]" 1
712 1 33 LYS HB3 1 34 GLN H 4.740 . 5.210 4.341 4.281 4.395 . 0 0 "[ . 1 . 2]" 1
713 1 33 LYS HD3 1 37 GLY H 4.910 . 5.400 4.700 4.159 5.118 . 0 0 "[ . 1 . 2]" 1
714 1 33 LYS HD3 1 37 GLY QA 4.270 . 4.700 2.550 2.053 3.113 . 0 0 "[ . 1 . 2]" 1
715 1 33 LYS HE2 1 37 GLY QA 5.340 . 5.870 4.529 3.799 5.268 . 0 0 "[ . 1 . 2]" 1
716 1 33 LYS HE3 1 33 LYS QG 3.650 . 4.020 2.673 2.390 2.994 . 0 0 "[ . 1 . 2]" 1
717 1 33 LYS QG 1 34 GLN H 3.600 . 3.960 3.186 3.072 3.258 . 0 0 "[ . 1 . 2]" 1
718 1 33 LYS QG 1 37 GLY H 4.440 . 4.880 3.405 3.273 3.576 . 0 0 "[ . 1 . 2]" 1
719 1 33 LYS QG 1 37 GLY QA 4.430 . 4.870 2.443 2.090 2.860 . 0 0 "[ . 1 . 2]" 1
720 1 33 LYS HG2 1 34 GLN H 4.160 . 4.580 3.465 3.316 3.681 . 0 0 "[ . 1 . 2]" 1
721 1 33 LYS HG3 1 34 GLN H 4.160 . 4.580 3.736 3.512 3.916 . 0 0 "[ . 1 . 2]" 1
722 1 34 GLN H 1 34 GLN HB2 3.180 . 3.500 2.511 2.429 2.579 . 0 0 "[ . 1 . 2]" 1
723 1 34 GLN H 1 34 GLN HG2 3.670 . 4.040 3.410 3.277 3.592 . 0 0 "[ . 1 . 2]" 1
724 1 34 GLN H 1 34 GLN HG3 3.100 . 3.410 2.167 2.040 2.297 . 0 0 "[ . 1 . 2]" 1
725 1 34 GLN H 1 35 LEU H 4.820 . 5.300 4.651 4.598 4.677 . 0 0 "[ . 1 . 2]" 1
726 1 34 GLN H 1 38 LYS H 4.410 . 4.850 3.740 3.045 4.532 . 0 0 "[ . 1 . 2]" 1
727 1 34 GLN H 1 39 GLN HA 3.860 . 4.250 3.126 2.702 3.593 . 0 0 "[ . 1 . 2]" 1
728 1 34 GLN H 1 40 THR H 4.550 . 5.010 3.857 3.474 4.464 . 0 0 "[ . 1 . 2]" 1
729 1 34 GLN H 1 40 THR MG 4.900 . 5.390 3.699 3.266 4.107 . 0 0 "[ . 1 . 2]" 1
730 1 34 GLN HA 1 34 GLN HG2 4.040 . 4.440 2.595 2.523 2.664 . 0 0 "[ . 1 . 2]" 1
731 1 34 GLN HA 1 34 GLN HG3 4.220 . 4.640 3.061 2.895 3.163 . 0 0 "[ . 1 . 2]" 1
732 1 34 GLN HA 1 35 LEU H 3.060 . 3.370 2.442 2.360 2.540 . 0 0 "[ . 1 . 2]" 1
733 1 34 GLN HA 1 35 LEU HG 4.440 . 4.880 4.106 3.968 4.223 . 0 0 "[ . 1 . 2]" 1
734 1 34 GLN HB2 1 34 GLN HE21 4.430 . 4.870 2.904 2.782 4.036 . 0 0 "[ . 1 . 2]" 1
735 1 34 GLN HB2 1 34 GLN QE 3.680 . 4.050 2.820 2.712 3.745 . 0 0 "[ . 1 . 2]" 1
736 1 34 GLN HB2 1 34 GLN HE22 4.430 . 4.870 3.862 3.752 4.435 . 0 0 "[ . 1 . 2]" 1
737 1 34 GLN HB2 1 35 LEU H 3.760 . 4.140 3.579 3.371 3.763 . 0 0 "[ . 1 . 2]" 1
738 1 34 GLN HB2 1 36 ASP H 4.100 . 4.510 3.103 2.738 3.455 . 0 0 "[ . 1 . 2]" 1
739 1 34 GLN HB2 1 37 GLY H 4.320 . 4.750 3.696 3.160 4.234 . 0 0 "[ . 1 . 2]" 1
740 1 34 GLN HB2 1 38 LYS H 3.780 . 4.160 2.954 2.608 3.578 . 0 0 "[ . 1 . 2]" 1
741 1 34 GLN HB2 1 38 LYS HB2 4.750 . 5.220 2.665 2.007 3.844 . 0 0 "[ . 1 . 2]" 1
742 1 34 GLN HB2 1 38 LYS HB3 4.680 . 5.150 4.269 3.596 5.178 0.028 4 0 "[ . 1 . 2]" 1
743 1 34 GLN HB3 1 35 LEU H 3.100 . 3.410 2.393 2.156 2.567 . 0 0 "[ . 1 . 2]" 1
744 1 34 GLN HB3 1 35 LEU HG 4.800 . 5.280 4.327 3.803 4.665 . 0 0 "[ . 1 . 2]" 1
745 1 34 GLN HB3 1 36 ASP H 3.370 . 3.710 2.901 2.409 3.365 . 0 0 "[ . 1 . 2]" 1
746 1 34 GLN HB3 1 37 GLY H 4.450 . 4.890 4.457 4.040 4.901 0.011 15 0 "[ . 1 . 2]" 1
747 1 34 GLN HB3 1 38 LYS H 5.250 . 5.780 4.453 4.069 5.142 . 0 0 "[ . 1 . 2]" 1
748 1 34 GLN QE 1 34 GLN HG3 3.290 . 3.620 2.232 2.211 2.247 . 0 0 "[ . 1 . 2]" 1
749 1 34 GLN QE 1 38 LYS HB2 3.950 . 4.350 2.439 1.915 3.714 . 0 0 "[ . 1 . 2]" 1
750 1 34 GLN QE 1 40 THR HB 4.470 . 4.920 3.085 2.554 3.713 . 0 0 "[ . 1 . 2]" 1
751 1 34 GLN QE 1 40 THR MG 3.780 . 4.160 2.434 1.881 2.954 . 0 0 "[ . 1 . 2]" 1
752 1 34 GLN HE21 1 38 LYS HB2 4.540 . 4.990 2.528 1.939 4.159 . 0 0 "[ . 1 . 2]" 1
753 1 34 GLN HE21 1 38 LYS HB3 4.230 . 4.650 3.089 2.416 4.642 . 0 0 "[ . 1 . 2]" 1
754 1 34 GLN HE21 1 38 LYS HE2 5.500 . 6.050 4.629 2.874 6.039 . 0 0 "[ . 1 . 2]" 1
755 1 34 GLN HE21 1 38 LYS HE3 5.500 . 6.050 5.004 3.141 6.097 0.047 5 0 "[ . 1 . 2]" 1
756 1 34 GLN HE21 1 40 THR MG 4.300 . 4.730 2.551 1.901 3.120 . 0 0 "[ . 1 . 2]" 1
757 1 34 GLN HE22 1 34 GLN HG3 3.890 . 4.280 3.496 3.481 3.505 . 0 0 "[ . 1 . 2]" 1
758 1 34 GLN HE22 1 38 LYS HB2 4.540 . 4.990 3.328 2.830 4.179 . 0 0 "[ . 1 . 2]" 1
759 1 34 GLN HE22 1 38 LYS HB3 4.230 . 4.650 3.792 3.064 4.678 0.028 17 0 "[ . 1 . 2]" 1
760 1 34 GLN HE22 1 38 LYS HE2 5.500 . 6.050 4.113 2.226 5.907 . 0 0 "[ . 1 . 2]" 1
761 1 34 GLN HE22 1 38 LYS HE3 5.500 . 6.050 4.548 2.584 5.999 . 0 0 "[ . 1 . 2]" 1
762 1 34 GLN HE22 1 40 THR MG 4.300 . 4.730 3.102 2.615 3.654 . 0 0 "[ . 1 . 2]" 1
763 1 34 GLN HG2 1 35 LEU H 4.020 . 4.420 4.061 3.888 4.215 . 0 0 "[ . 1 . 2]" 1
764 1 34 GLN HG2 1 35 LEU HG 5.500 . 6.050 5.636 5.226 5.982 . 0 0 "[ . 1 . 2]" 1
765 1 34 GLN HG2 1 40 THR MG 5.010 . 5.510 3.449 2.876 4.113 . 0 0 "[ . 1 . 2]" 1
766 1 34 GLN HG3 1 35 LEU H 5.030 . 5.530 4.840 4.679 4.934 . 0 0 "[ . 1 . 2]" 1
767 1 34 GLN HG3 1 38 LYS HB3 5.030 . 5.530 4.800 4.351 5.472 . 0 0 "[ . 1 . 2]" 1
768 1 34 GLN HG3 1 40 THR MG 4.730 . 5.200 2.496 2.149 3.033 . 0 0 "[ . 1 . 2]" 1
769 1 35 LEU H 1 35 LEU HB2 3.000 . 3.300 2.576 2.520 2.629 . 0 0 "[ . 1 . 2]" 1
770 1 35 LEU H 1 35 LEU MD1 3.880 . 4.270 3.657 3.565 3.714 . 0 0 "[ . 1 . 2]" 1
771 1 35 LEU H 1 35 LEU MD2 4.010 . 4.410 3.094 3.021 3.215 . 0 0 "[ . 1 . 2]" 1
772 1 35 LEU H 1 35 LEU HG 3.140 . 3.450 2.182 2.040 2.295 . 0 0 "[ . 1 . 2]" 1
773 1 35 LEU H 1 36 ASP H 3.740 . 4.110 2.817 2.646 2.987 . 0 0 "[ . 1 . 2]" 1
774 1 35 LEU HA 1 35 LEU MD1 4.330 . 4.760 3.860 3.838 3.882 . 0 0 "[ . 1 . 2]" 1
775 1 35 LEU HA 1 35 LEU MD2 3.470 . 3.820 2.031 1.974 2.096 . 0 0 "[ . 1 . 2]" 1
776 1 35 LEU HA 1 37 GLY H 3.980 . 4.380 3.629 3.416 3.809 . 0 0 "[ . 1 . 2]" 1
777 1 35 LEU HB2 1 36 ASP H 3.630 . 3.990 2.847 2.521 3.051 . 0 0 "[ . 1 . 2]" 1
778 1 35 LEU MD1 1 36 ASP H 4.870 . 5.360 4.747 4.462 4.922 . 0 0 "[ . 1 . 2]" 1
779 1 35 LEU MD2 1 36 ASP H 4.710 . 5.180 4.669 4.627 4.719 . 0 0 "[ . 1 . 2]" 1
780 1 36 ASP H 1 37 GLY H 3.310 . 3.640 2.673 2.468 2.903 . 0 0 "[ . 1 . 2]" 1
781 1 36 ASP QB 1 37 GLY H 4.240 . 4.660 3.389 3.182 3.724 . 0 0 "[ . 1 . 2]" 1
782 1 36 ASP QB 1 37 GLY QA 5.180 . 5.700 4.189 4.020 4.335 . 0 0 "[ . 1 . 2]" 1
783 1 36 ASP QB 1 38 LYS H 4.610 . 5.070 2.958 2.309 3.917 . 0 0 "[ . 1 . 2]" 1
784 1 36 ASP HB2 1 37 GLY H 4.840 . 5.320 3.772 3.319 4.282 . 0 0 "[ . 1 . 2]" 1
785 1 36 ASP HB3 1 37 GLY H 4.840 . 5.320 4.118 3.282 4.491 . 0 0 "[ . 1 . 2]" 1
786 1 37 GLY H 1 38 LYS H 3.180 . 3.500 2.524 2.347 3.072 . 0 0 "[ . 1 . 2]" 1
787 1 37 GLY H 1 38 LYS HB2 4.620 . 5.080 4.700 4.446 5.063 . 0 0 "[ . 1 . 2]" 1
788 1 37 GLY H 1 38 LYS HG3 5.500 . 6.050 4.462 3.916 5.427 . 0 0 "[ . 1 . 2]" 1
789 1 37 GLY QA 1 38 LYS HG3 5.340 . 5.870 4.262 3.872 4.579 . 0 0 "[ . 1 . 2]" 1
790 1 38 LYS H 1 38 LYS HB2 2.970 . 3.270 2.512 2.376 2.714 . 0 0 "[ . 1 . 2]" 1
791 1 38 LYS H 1 38 LYS HB3 3.670 . 4.040 3.652 3.580 3.814 . 0 0 "[ . 1 . 2]" 1
792 1 38 LYS H 1 38 LYS HD2 5.500 . 6.050 4.666 3.945 5.243 . 0 0 "[ . 1 . 2]" 1
793 1 38 LYS H 1 38 LYS HD3 5.500 . 6.050 4.552 3.755 5.197 . 0 0 "[ . 1 . 2]" 1
794 1 38 LYS H 1 38 LYS HG2 3.560 . 3.920 3.617 3.045 3.934 0.014 7 0 "[ . 1 . 2]" 1
795 1 38 LYS H 1 38 LYS HG3 4.000 . 4.400 2.511 2.129 2.858 . 0 0 "[ . 1 . 2]" 1
796 1 38 LYS H 1 39 GLN H 4.840 . 5.320 4.346 4.065 4.575 . 0 0 "[ . 1 . 2]" 1
797 1 38 LYS HA 1 38 LYS HD2 5.500 . 6.050 4.643 4.139 4.915 . 0 0 "[ . 1 . 2]" 1
798 1 38 LYS HA 1 38 LYS QD 4.770 . 5.250 4.106 3.889 4.289 . 0 0 "[ . 1 . 2]" 1
799 1 38 LYS HA 1 38 LYS HD3 5.500 . 6.050 4.630 4.287 4.876 . 0 0 "[ . 1 . 2]" 1
800 1 38 LYS HA 1 38 LYS HG3 4.110 . 4.520 3.128 2.955 3.427 . 0 0 "[ . 1 . 2]" 1
801 1 38 LYS HA 1 39 GLN H 2.860 . 3.150 2.195 2.155 2.258 . 0 0 "[ . 1 . 2]" 1
802 1 38 LYS HB2 1 38 LYS QD 3.710 . 4.080 2.594 2.346 3.115 . 0 0 "[ . 1 . 2]" 1
803 1 38 LYS HB2 1 39 GLN H 4.340 . 4.770 4.382 4.133 4.519 . 0 0 "[ . 1 . 2]" 1
804 1 38 LYS HB3 1 38 LYS HD2 4.110 . 4.520 3.230 2.370 3.783 . 0 0 "[ . 1 . 2]" 1
805 1 38 LYS HB3 1 38 LYS QD 3.560 . 3.920 2.645 2.334 3.033 . 0 0 "[ . 1 . 2]" 1
806 1 38 LYS HB3 1 38 LYS HD3 4.110 . 4.520 3.048 2.428 3.696 . 0 0 "[ . 1 . 2]" 1
807 1 38 LYS HB3 1 39 GLN H 3.830 . 4.210 3.665 3.196 3.942 . 0 0 "[ . 1 . 2]" 1
808 1 38 LYS HG2 1 39 GLN H 4.490 . 4.940 4.615 4.267 4.865 . 0 0 "[ . 1 . 2]" 1
809 1 38 LYS HG3 1 39 GLN H 5.080 . 5.590 5.219 5.121 5.478 . 0 0 "[ . 1 . 2]" 1
810 1 39 GLN H 1 39 GLN HB2 3.310 . 3.640 2.692 2.541 2.848 . 0 0 "[ . 1 . 2]" 1
811 1 39 GLN H 1 39 GLN QB 2.890 . 3.180 2.308 2.251 2.369 . 0 0 "[ . 1 . 2]" 1
812 1 39 GLN H 1 39 GLN HB3 3.310 . 3.640 2.517 2.404 2.615 . 0 0 "[ . 1 . 2]" 1
813 1 39 GLN H 1 39 GLN QG 4.310 . 4.740 4.010 3.977 4.047 . 0 0 "[ . 1 . 2]" 1
814 1 39 GLN H 1 40 THR H 4.150 . 4.570 4.429 4.079 4.602 0.032 13 0 "[ . 1 . 2]" 1
815 1 39 GLN HA 1 39 GLN HE21 5.000 . 5.500 4.796 4.288 5.323 . 0 0 "[ . 1 . 2]" 1
816 1 39 GLN HA 1 39 GLN QG 3.700 . 4.070 2.463 2.388 2.550 . 0 0 "[ . 1 . 2]" 1
817 1 39 GLN HA 1 40 THR H 2.840 . 3.120 2.175 2.146 2.242 . 0 0 "[ . 1 . 2]" 1
818 1 39 GLN QG 1 40 THR H 3.900 . 4.290 3.025 2.456 3.585 . 0 0 "[ . 1 . 2]" 1
819 1 39 GLN HG2 1 40 THR H 4.560 . 5.020 3.363 2.576 3.985 . 0 0 "[ . 1 . 2]" 1
820 1 39 GLN HG3 1 40 THR H 4.560 . 5.020 3.466 2.971 4.066 . 0 0 "[ . 1 . 2]" 1
821 1 40 THR H 1 40 THR HB 3.710 . 4.080 3.236 3.046 3.428 . 0 0 "[ . 1 . 2]" 1
822 1 40 THR H 1 40 THR MG 4.000 . 4.400 2.215 2.005 2.405 . 0 0 "[ . 1 . 2]" 1
823 1 40 THR H 1 41 ARG H 4.720 . 5.190 4.479 4.424 4.544 . 0 0 "[ . 1 . 2]" 1
824 1 40 THR HA 1 40 THR MG 3.430 . 3.770 3.223 3.216 3.228 . 0 0 "[ . 1 . 2]" 1
825 1 40 THR HA 1 41 ARG H 2.740 . 3.010 2.425 2.302 2.480 . 0 0 "[ . 1 . 2]" 1
826 1 40 THR HA 1 41 ARG HB2 4.680 . 5.150 4.600 4.394 4.909 . 0 0 "[ . 1 . 2]" 1
827 1 40 THR HB 1 41 ARG H 4.390 . 4.830 3.718 3.643 3.864 . 0 0 "[ . 1 . 2]" 1
828 1 40 THR MG 1 41 ARG H 3.320 . 3.650 3.416 3.282 3.646 . 0 0 "[ . 1 . 2]" 1
829 1 40 THR MG 1 41 ARG HA 5.240 . 5.760 3.930 3.794 4.118 . 0 0 "[ . 1 . 2]" 1
830 1 40 THR MG 1 42 ILE H 4.860 . 5.350 4.717 4.337 5.154 . 0 0 "[ . 1 . 2]" 1
831 1 41 ARG H 1 41 ARG HB2 3.610 . 3.970 2.668 2.579 2.810 . 0 0 "[ . 1 . 2]" 1
832 1 41 ARG H 1 41 ARG HB3 3.930 . 4.320 3.786 3.720 3.867 . 0 0 "[ . 1 . 2]" 1
833 1 41 ARG H 1 41 ARG HG3 3.570 . 3.930 2.892 2.483 3.179 . 0 0 "[ . 1 . 2]" 1
834 1 41 ARG H 1 42 ILE H 4.740 . 5.210 4.408 4.293 4.568 . 0 0 "[ . 1 . 2]" 1
835 1 41 ARG HA 1 42 ILE H 3.060 . 3.370 2.207 2.167 2.329 . 0 0 "[ . 1 . 2]" 1
836 1 41 ARG HB2 1 41 ARG HE 4.740 . 5.210 2.708 1.804 4.607 . 0 0 "[ . 1 . 2]" 1
837 1 41 ARG HB2 1 42 ILE H 4.070 . 4.480 4.079 3.675 4.286 . 0 0 "[ . 1 . 2]" 1
838 1 41 ARG HB3 1 41 ARG HD2 4.170 . 4.590 2.775 2.502 3.808 . 0 0 "[ . 1 . 2]" 1
839 1 41 ARG HB3 1 41 ARG QD 3.630 . 3.990 2.531 2.402 2.865 . 0 0 "[ . 1 . 2]" 1
840 1 41 ARG HB3 1 41 ARG HD3 4.170 . 4.590 3.463 2.504 3.783 . 0 0 "[ . 1 . 2]" 1
841 1 41 ARG HB3 1 41 ARG HG2 2.860 . 3.150 2.434 2.357 2.500 . 0 0 "[ . 1 . 2]" 1
842 1 41 ARG HB3 1 42 ILE H 5.040 . 5.540 3.131 2.692 3.400 . 0 0 "[ . 1 . 2]" 1
843 1 41 ARG HG2 1 42 ILE H 4.510 . 4.960 4.406 4.186 4.734 . 0 0 "[ . 1 . 2]" 1
844 1 42 ILE H 1 42 ILE HB 3.770 . 4.150 3.126 2.929 3.284 . 0 0 "[ . 1 . 2]" 1
845 1 42 ILE H 1 42 ILE MD 5.060 . 5.570 4.764 4.654 4.890 . 0 0 "[ . 1 . 2]" 1
846 1 42 ILE H 1 42 ILE QG 4.770 . 5.250 4.140 4.103 4.192 . 0 0 "[ . 1 . 2]" 1
847 1 42 ILE H 1 42 ILE MG 3.840 . 4.220 2.264 2.135 2.470 . 0 0 "[ . 1 . 2]" 1
848 1 42 ILE HA 1 42 ILE MD 4.350 . 4.790 3.753 3.701 3.781 . 0 0 "[ . 1 . 2]" 1
849 1 42 ILE HA 1 43 ASN H 2.990 . 3.290 2.323 2.260 2.383 . 0 0 "[ . 1 . 2]" 1
850 1 42 ILE HB 1 43 ASN H 4.420 . 4.860 4.045 3.987 4.145 . 0 0 "[ . 1 . 2]" 1
851 1 42 ILE MD 1 46 GLN HB2 4.610 . 5.070 2.527 2.297 2.729 . 0 0 "[ . 1 . 2]" 1
852 1 42 ILE MD 1 46 GLN HB3 4.420 . 4.860 2.473 2.245 2.691 . 0 0 "[ . 1 . 2]" 1
853 1 42 ILE MD 1 46 GLN QE 4.590 . 5.050 4.321 3.322 5.059 0.009 3 0 "[ . 1 . 2]" 1
854 1 42 ILE MD 1 46 GLN QG 4.560 . 5.020 2.638 2.208 2.928 . 0 0 "[ . 1 . 2]" 1
855 1 42 ILE QG 1 43 ASN H 3.900 . 4.290 2.162 1.970 2.381 . 0 0 "[ . 1 . 2]" 1
856 1 42 ILE QG 1 43 ASN HA 5.080 . 5.590 4.247 4.162 4.355 . 0 0 "[ . 1 . 2]" 1
857 1 42 ILE QG 1 46 GLN HB2 4.100 . 4.510 2.344 2.002 2.624 . 0 0 "[ . 1 . 2]" 1
858 1 42 ILE QG 1 46 GLN QG 4.240 . 4.660 2.519 2.137 2.822 . 0 0 "[ . 1 . 2]" 1
859 1 42 ILE HG12 1 43 ASN H 4.470 . 4.920 2.332 2.049 2.617 . 0 0 "[ . 1 . 2]" 1
860 1 42 ILE HG12 1 46 GLN HB2 4.900 . 5.390 2.368 2.017 2.658 . 0 0 "[ . 1 . 2]" 1
861 1 42 ILE HG12 1 46 GLN HB3 5.500 . 6.050 3.549 3.262 3.846 . 0 0 "[ . 1 . 2]" 1
862 1 42 ILE HG12 1 46 GLN HG2 5.460 . 6.010 3.565 3.091 3.880 . 0 0 "[ . 1 . 2]" 1
863 1 42 ILE HG12 1 46 GLN HG3 5.460 . 6.010 2.782 2.306 3.201 . 0 0 "[ . 1 . 2]" 1
864 1 42 ILE HG13 1 43 ASN H 4.470 . 4.920 2.568 2.490 2.739 . 0 0 "[ . 1 . 2]" 1
865 1 42 ILE HG13 1 46 GLN HB2 4.900 . 5.390 3.769 3.372 4.046 . 0 0 "[ . 1 . 2]" 1
866 1 42 ILE HG13 1 46 GLN HB3 5.500 . 6.050 4.402 3.974 4.714 . 0 0 "[ . 1 . 2]" 1
867 1 42 ILE HG13 1 46 GLN HG2 5.460 . 6.010 4.459 4.180 4.975 . 0 0 "[ . 1 . 2]" 1
868 1 42 ILE HG13 1 46 GLN HG3 5.460 . 6.010 3.143 2.656 3.605 . 0 0 "[ . 1 . 2]" 1
869 1 42 ILE MG 1 43 ASN H 3.780 . 4.160 3.575 3.414 3.748 . 0 0 "[ . 1 . 2]" 1
870 1 42 ILE MG 1 46 GLN H 4.850 . 5.330 4.730 4.343 4.920 . 0 0 "[ . 1 . 2]" 1
871 1 42 ILE MG 1 46 GLN HB2 3.970 . 4.370 3.468 2.839 3.713 . 0 0 "[ . 1 . 2]" 1
872 1 42 ILE MG 1 46 GLN HB3 4.330 . 4.760 4.504 3.801 4.781 0.021 20 0 "[ . 1 . 2]" 1
873 1 42 ILE MG 1 46 GLN HG2 5.500 . 6.050 5.067 4.449 5.390 . 0 0 "[ . 1 . 2]" 1
874 1 42 ILE MG 1 46 GLN QG 4.730 . 5.200 4.284 3.773 4.548 . 0 0 "[ . 1 . 2]" 1
875 1 42 ILE MG 1 46 GLN HG3 5.500 . 6.050 4.626 4.077 4.951 . 0 0 "[ . 1 . 2]" 1
876 1 42 ILE MG 1 47 VAL H 4.930 . 5.420 4.435 4.034 4.926 . 0 0 "[ . 1 . 2]" 1
877 1 42 ILE MG 1 47 VAL HB 4.610 . 5.070 3.634 3.390 4.297 . 0 0 "[ . 1 . 2]" 1
878 1 43 ASN H 1 43 ASN HB2 3.310 . 3.640 2.441 2.282 2.599 . 0 0 "[ . 1 . 2]" 1
879 1 43 ASN H 1 43 ASN HB3 3.430 . 3.770 2.671 2.576 2.853 . 0 0 "[ . 1 . 2]" 1
880 1 43 ASN H 1 46 GLN HB2 4.840 . 5.320 4.039 3.595 4.395 . 0 0 "[ . 1 . 2]" 1
881 1 43 ASN H 1 46 GLN QG 4.610 . 5.070 3.250 2.641 3.711 . 0 0 "[ . 1 . 2]" 1
882 1 43 ASN HA 1 44 LYS H 2.960 . 3.260 2.259 2.189 2.322 . 0 0 "[ . 1 . 2]" 1
883 1 43 ASN HA 1 44 LYS HB3 5.190 . 5.710 4.518 4.422 4.575 . 0 0 "[ . 1 . 2]" 1
884 1 43 ASN HA 1 45 ASP H 4.890 . 5.380 4.163 4.038 4.382 . 0 0 "[ . 1 . 2]" 1
885 1 43 ASN HB2 1 44 LYS H 4.610 . 5.070 4.032 3.918 4.270 . 0 0 "[ . 1 . 2]" 1
886 1 43 ASN HB2 1 45 ASP H 4.850 . 5.330 4.535 4.414 4.800 . 0 0 "[ . 1 . 2]" 1
887 1 43 ASN HB2 1 46 GLN QE 5.340 . 5.870 4.973 4.029 5.690 . 0 0 "[ . 1 . 2]" 1
888 1 43 ASN HB3 1 44 LYS H 4.340 . 4.770 3.729 3.613 3.872 . 0 0 "[ . 1 . 2]" 1
889 1 43 ASN HB3 1 45 ASP H 3.530 . 3.880 3.193 3.017 3.493 . 0 0 "[ . 1 . 2]" 1
890 1 43 ASN HB3 1 46 GLN H 3.780 . 4.160 3.445 3.276 3.768 . 0 0 "[ . 1 . 2]" 1
891 1 43 ASN HB3 1 46 GLN HE21 5.500 . 6.050 4.051 3.022 5.048 . 0 0 "[ . 1 . 2]" 1
892 1 43 ASN HB3 1 46 GLN QE 4.720 . 5.190 3.941 2.990 4.775 . 0 0 "[ . 1 . 2]" 1
893 1 43 ASN HB3 1 46 GLN HE22 5.500 . 6.050 5.463 4.692 6.067 0.017 13 0 "[ . 1 . 2]" 1
894 1 44 LYS H 1 44 LYS HB3 2.990 . 3.290 2.573 2.492 2.697 . 0 0 "[ . 1 . 2]" 1
895 1 44 LYS H 1 44 LYS QD 3.840 . 4.220 3.713 3.438 3.984 . 0 0 "[ . 1 . 2]" 1
896 1 44 LYS H 1 44 LYS QG 3.350 . 3.690 2.007 1.858 2.174 . 0 0 "[ . 1 . 2]" 1
897 1 44 LYS H 1 45 ASP H 3.730 . 4.100 2.829 2.725 2.908 . 0 0 "[ . 1 . 2]" 1
898 1 44 LYS HA 1 46 GLN H 4.230 . 4.650 3.927 3.637 4.181 . 0 0 "[ . 1 . 2]" 1
899 1 44 LYS HA 1 47 VAL H 4.190 . 4.610 3.775 3.424 4.138 . 0 0 "[ . 1 . 2]" 1
900 1 44 LYS HA 1 47 VAL HB 4.200 . 4.620 4.234 3.871 4.672 0.052 12 0 "[ . 1 . 2]" 1
901 1 44 LYS HB2 1 44 LYS QD 3.620 . 3.980 2.585 2.327 3.018 . 0 0 "[ . 1 . 2]" 1
902 1 44 LYS HB2 1 45 ASP H 4.520 . 4.970 4.058 3.879 4.205 . 0 0 "[ . 1 . 2]" 1
903 1 44 LYS HB3 1 44 LYS QD 3.450 . 3.790 2.400 2.291 2.524 . 0 0 "[ . 1 . 2]" 1
904 1 44 LYS HB3 1 45 ASP H 4.880 . 5.370 4.283 4.148 4.385 . 0 0 "[ . 1 . 2]" 1
905 1 44 LYS QG 1 45 ASP H 3.570 . 3.930 2.663 2.342 2.861 . 0 0 "[ . 1 . 2]" 1
906 1 44 LYS QG 1 45 ASP HA 4.620 . 5.080 3.570 3.264 3.766 . 0 0 "[ . 1 . 2]" 1
907 1 44 LYS HG2 1 45 ASP H 4.110 . 4.520 3.142 2.801 3.467 . 0 0 "[ . 1 . 2]" 1
908 1 44 LYS HG3 1 45 ASP H 4.110 . 4.520 2.895 2.443 3.245 . 0 0 "[ . 1 . 2]" 1
909 1 45 ASP H 1 45 ASP QB 3.540 . 3.890 2.659 2.554 2.769 . 0 0 "[ . 1 . 2]" 1
910 1 45 ASP H 1 46 GLN H 3.350 . 3.690 2.453 2.337 2.638 . 0 0 "[ . 1 . 2]" 1
911 1 45 ASP H 1 46 GLN QG 4.880 . 5.370 3.709 3.373 4.007 . 0 0 "[ . 1 . 2]" 1
912 1 45 ASP H 1 47 VAL H 4.920 . 5.410 4.255 4.111 4.419 . 0 0 "[ . 1 . 2]" 1
913 1 46 GLN H 1 46 GLN HB2 2.960 . 3.260 2.499 2.369 2.632 . 0 0 "[ . 1 . 2]" 1
914 1 46 GLN H 1 46 GLN HB3 3.830 . 4.210 3.628 3.594 3.655 . 0 0 "[ . 1 . 2]" 1
915 1 46 GLN H 1 46 GLN QG 3.150 . 3.470 2.325 2.052 2.506 . 0 0 "[ . 1 . 2]" 1
916 1 46 GLN H 1 47 VAL H 2.900 . 3.190 2.466 2.330 2.581 . 0 0 "[ . 1 . 2]" 1
917 1 46 GLN HA 1 46 GLN HE21 5.410 . 5.950 4.314 2.601 4.921 . 0 0 "[ . 1 . 2]" 1
918 1 46 GLN HA 1 46 GLN QE 4.640 . 5.100 3.823 2.509 4.311 . 0 0 "[ . 1 . 2]" 1
919 1 46 GLN HA 1 46 GLN HE22 5.410 . 5.950 4.296 3.245 4.766 . 0 0 "[ . 1 . 2]" 1
920 1 46 GLN HA 1 46 GLN HG2 4.000 . 4.400 3.064 2.888 3.210 . 0 0 "[ . 1 . 2]" 1
921 1 46 GLN HA 1 46 GLN QG 3.250 . 3.580 2.939 2.800 3.039 . 0 0 "[ . 1 . 2]" 1
922 1 46 GLN HA 1 46 GLN HG3 4.000 . 4.400 3.789 3.723 3.889 . 0 0 "[ . 1 . 2]" 1
923 1 46 GLN HB2 1 47 VAL H 3.240 . 3.560 3.058 2.917 3.286 . 0 0 "[ . 1 . 2]" 1
924 1 46 GLN HB3 1 47 VAL H 4.350 . 4.790 4.004 3.872 4.180 . 0 0 "[ . 1 . 2]" 1
925 1 47 VAL H 1 47 VAL HB 3.380 . 3.720 2.734 2.666 2.820 . 0 0 "[ . 1 . 2]" 1
926 1 47 VAL H 1 48 ARG H 4.840 . 5.320 4.438 4.399 4.493 . 0 0 "[ . 1 . 2]" 1
927 1 47 VAL HA 1 48 ARG H 3.060 . 3.370 2.136 2.093 2.174 . 0 0 "[ . 1 . 2]" 1
928 1 47 VAL HA 1 49 THR H 4.520 . 4.970 4.261 4.148 4.398 . 0 0 "[ . 1 . 2]" 1
929 1 48 ARG H 1 48 ARG HB2 3.690 . 4.060 2.629 2.352 2.757 . 0 0 "[ . 1 . 2]" 1
930 1 48 ARG H 1 48 ARG HB3 3.650 . 4.020 2.526 2.330 2.892 . 0 0 "[ . 1 . 2]" 1
931 1 48 ARG H 1 48 ARG QG 4.610 . 5.070 4.017 3.962 4.118 . 0 0 "[ . 1 . 2]" 1
932 1 48 ARG H 1 49 THR H 3.340 . 3.670 2.655 2.606 2.728 . 0 0 "[ . 1 . 2]" 1
933 1 48 ARG HA 1 48 ARG HD2 4.860 . 5.350 4.050 1.966 4.832 . 0 0 "[ . 1 . 2]" 1
934 1 48 ARG HA 1 48 ARG QD 4.250 . 4.680 3.706 1.951 4.293 . 0 0 "[ . 1 . 2]" 1
935 1 48 ARG HA 1 48 ARG HD3 4.860 . 5.350 4.428 3.168 4.923 . 0 0 "[ . 1 . 2]" 1
936 1 48 ARG HA 1 48 ARG HG2 3.890 . 4.280 3.236 2.878 3.858 . 0 0 "[ . 1 . 2]" 1
937 1 48 ARG HA 1 48 ARG HG3 3.890 . 4.280 2.671 2.514 3.113 . 0 0 "[ . 1 . 2]" 1
938 1 48 ARG HB2 1 48 ARG HD2 4.160 . 4.580 2.732 2.388 3.695 . 0 0 "[ . 1 . 2]" 1
939 1 48 ARG HB2 1 48 ARG QD 3.450 . 3.790 2.448 2.313 2.957 . 0 0 "[ . 1 . 2]" 1
940 1 48 ARG HB2 1 48 ARG HD3 4.160 . 4.580 3.042 2.423 3.744 . 0 0 "[ . 1 . 2]" 1
941 1 48 ARG HB2 1 49 THR H 4.140 . 4.550 3.616 3.416 3.713 . 0 0 "[ . 1 . 2]" 1
942 1 48 ARG HB3 1 48 ARG QD 3.700 . 4.070 2.635 2.345 3.432 . 0 0 "[ . 1 . 2]" 1
943 1 48 ARG HB3 1 49 THR H 3.510 . 3.860 2.173 2.063 2.308 . 0 0 "[ . 1 . 2]" 1
944 1 48 ARG QG 1 49 THR H 4.420 . 4.860 3.300 2.964 3.901 . 0 0 "[ . 1 . 2]" 1
945 1 48 ARG QG 1 49 THR MG 3.460 . 3.810 2.009 1.761 2.698 0.039 20 0 "[ . 1 . 2]" 1
946 1 49 THR H 1 49 THR MG 4.000 . 4.400 3.109 2.835 3.287 . 0 0 "[ . 1 . 2]" 1
947 1 49 THR H 1 50 VAL H 4.780 . 5.260 4.355 4.197 4.482 . 0 0 "[ . 1 . 2]" 1
948 1 49 THR H 1 50 VAL MG2 4.370 . 4.810 4.367 4.121 4.584 . 0 0 "[ . 1 . 2]" 1
949 1 49 THR HA 1 49 THR MG 3.500 . 3.850 2.370 2.319 2.422 . 0 0 "[ . 1 . 2]" 1
950 1 49 THR HA 1 50 VAL H 2.670 . 2.940 2.237 2.169 2.368 . 0 0 "[ . 1 . 2]" 1
951 1 49 THR HA 1 50 VAL MG2 4.150 . 4.570 3.565 3.377 3.745 . 0 0 "[ . 1 . 2]" 1
952 1 49 THR HB 1 50 VAL H 3.230 . 3.550 2.919 2.466 3.294 . 0 0 "[ . 1 . 2]" 1
953 1 49 THR HB 1 51 LYS QD 5.020 . 5.520 4.180 3.518 5.097 . 0 0 "[ . 1 . 2]" 1
954 1 49 THR HB 1 51 LYS QE 4.510 . 4.960 3.426 2.440 4.191 . 0 0 "[ . 1 . 2]" 1
955 1 49 THR HB 1 51 LYS HG3 3.970 . 4.370 3.074 2.634 3.649 . 0 0 "[ . 1 . 2]" 1
956 1 49 THR MG 1 50 VAL H 4.020 . 4.420 3.827 3.602 3.969 . 0 0 "[ . 1 . 2]" 1
957 1 49 THR MG 1 51 LYS QE 3.930 . 4.320 3.758 2.912 4.380 0.060 10 0 "[ . 1 . 2]" 1
958 1 50 VAL H 1 50 VAL HB 3.130 . 3.440 2.629 2.521 2.812 . 0 0 "[ . 1 . 2]" 1
959 1 50 VAL H 1 50 VAL MG1 4.140 . 4.550 3.861 3.817 3.926 . 0 0 "[ . 1 . 2]" 1
960 1 50 VAL H 1 50 VAL MG2 3.290 . 3.620 2.622 2.374 2.947 . 0 0 "[ . 1 . 2]" 1
961 1 50 VAL H 1 51 LYS H 4.260 . 4.690 4.271 3.999 4.438 . 0 0 "[ . 1 . 2]" 1
962 1 50 VAL H 1 51 LYS HG3 4.550 . 5.010 4.062 3.576 4.558 . 0 0 "[ . 1 . 2]" 1
963 1 50 VAL HA 1 50 VAL MG2 3.490 . 3.840 2.418 2.393 2.436 . 0 0 "[ . 1 . 2]" 1
964 1 50 VAL HA 1 51 LYS H 2.800 . 3.080 2.185 2.160 2.238 . 0 0 "[ . 1 . 2]" 1
965 1 50 VAL MG1 1 51 LYS H 3.440 . 3.780 3.017 2.805 3.355 . 0 0 "[ . 1 . 2]" 1
966 1 50 VAL MG1 1 52 ASP H 5.230 . 5.750 4.703 4.125 5.223 . 0 0 "[ . 1 . 2]" 1
967 1 50 VAL MG2 1 51 LYS H 4.240 . 4.660 4.184 4.107 4.293 . 0 0 "[ . 1 . 2]" 1
968 1 51 LYS H 1 51 LYS HB2 3.420 . 3.760 2.671 2.511 2.793 . 0 0 "[ . 1 . 2]" 1
969 1 51 LYS H 1 51 LYS HB3 4.030 . 4.430 3.799 3.704 3.871 . 0 0 "[ . 1 . 2]" 1
970 1 51 LYS H 1 51 LYS HG3 3.860 . 4.250 3.147 2.834 3.407 . 0 0 "[ . 1 . 2]" 1
971 1 51 LYS H 1 52 ASP H 4.650 . 5.120 4.439 4.280 4.519 . 0 0 "[ . 1 . 2]" 1
972 1 51 LYS HA 1 52 ASP H 2.920 . 3.210 2.258 2.146 2.443 . 0 0 "[ . 1 . 2]" 1
973 1 51 LYS HB2 1 52 ASP H 3.920 . 4.310 3.968 3.536 4.324 0.014 14 0 "[ . 1 . 2]" 1
974 1 51 LYS HB3 1 52 ASP H 3.850 . 4.230 2.859 2.338 3.370 . 0 0 "[ . 1 . 2]" 1
975 1 51 LYS QE 1 51 LYS HG3 3.580 . 3.940 2.541 2.387 2.858 . 0 0 "[ . 1 . 2]" 1
976 1 51 LYS HG2 1 52 ASP H 4.320 . 4.750 4.139 3.849 4.390 . 0 0 "[ . 1 . 2]" 1
977 1 52 ASP H 1 52 ASP HB2 3.840 . 4.220 2.490 2.388 2.606 . 0 0 "[ . 1 . 2]" 1
978 1 52 ASP H 1 52 ASP QB 3.150 . 3.470 2.449 2.357 2.550 . 0 0 "[ . 1 . 2]" 1
979 1 52 ASP H 1 52 ASP HB3 3.840 . 4.220 3.631 3.599 3.665 . 0 0 "[ . 1 . 2]" 1
980 1 52 ASP H 1 53 LEU H 4.620 . 5.080 4.591 4.531 4.650 . 0 0 "[ . 1 . 2]" 1
981 1 52 ASP HA 1 53 LEU H 2.790 . 3.070 2.270 2.158 2.386 . 0 0 "[ . 1 . 2]" 1
982 1 52 ASP HA 1 54 LEU H 4.280 . 4.710 3.799 3.575 3.982 . 0 0 "[ . 1 . 2]" 1
983 1 52 ASP QB 1 53 LEU H 3.510 . 3.860 2.851 2.539 3.223 . 0 0 "[ . 1 . 2]" 1
984 1 52 ASP QB 1 54 LEU H 4.230 . 4.650 2.416 2.077 2.781 . 0 0 "[ . 1 . 2]" 1
985 1 52 ASP QB 1 55 GLU H 4.800 . 5.280 3.945 2.918 5.193 . 0 0 "[ . 1 . 2]" 1
986 1 52 ASP QB 1 55 GLU QB 4.760 . 5.240 3.920 1.865 5.385 0.145 13 0 "[ . 1 . 2]" 1
987 1 52 ASP HB2 1 53 LEU H 4.020 . 4.420 3.955 3.678 4.259 . 0 0 "[ . 1 . 2]" 1
988 1 52 ASP HB3 1 53 LEU H 4.020 . 4.420 2.926 2.585 3.337 . 0 0 "[ . 1 . 2]" 1
989 1 53 LEU H 1 53 LEU HB2 3.140 . 3.450 2.456 2.372 2.525 . 0 0 "[ . 1 . 2]" 1
990 1 53 LEU H 1 53 LEU HB3 3.740 . 4.110 3.616 3.592 3.663 . 0 0 "[ . 1 . 2]" 1
991 1 53 LEU H 1 53 LEU MD1 4.270 . 4.700 3.739 3.624 3.925 . 0 0 "[ . 1 . 2]" 1
992 1 53 LEU H 1 53 LEU MD2 4.560 . 5.020 3.411 3.120 3.672 . 0 0 "[ . 1 . 2]" 1
993 1 53 LEU H 1 53 LEU HG 3.710 . 4.080 2.473 2.208 2.774 . 0 0 "[ . 1 . 2]" 1
994 1 53 LEU H 1 54 LEU H 3.510 . 3.860 2.521 2.336 2.720 . 0 0 "[ . 1 . 2]" 1
995 1 53 LEU HA 1 53 LEU MD2 3.180 . 3.500 1.989 1.923 2.039 . 0 0 "[ . 1 . 2]" 1
996 1 53 LEU HA 1 53 LEU HG 4.190 . 4.610 3.104 2.939 3.248 . 0 0 "[ . 1 . 2]" 1
997 1 53 LEU HA 1 54 LEU H 3.530 . 3.880 3.400 3.273 3.517 . 0 0 "[ . 1 . 2]" 1
998 1 53 LEU HB2 1 53 LEU MD1 3.410 . 3.750 2.369 2.327 2.423 . 0 0 "[ . 1 . 2]" 1
999 1 53 LEU HB2 1 54 LEU H 4.280 . 4.710 3.198 2.665 3.535 . 0 0 "[ . 1 . 2]" 1
1000 1 53 LEU HB3 1 54 LEU H 4.440 . 4.880 4.031 3.737 4.242 . 0 0 "[ . 1 . 2]" 1
1001 1 54 LEU H 1 54 LEU HB2 3.790 . 4.170 2.570 2.461 2.694 . 0 0 "[ . 1 . 2]" 1
1002 1 54 LEU H 1 54 LEU QB 3.240 . 3.560 2.525 2.422 2.641 . 0 0 "[ . 1 . 2]" 1
1003 1 54 LEU H 1 54 LEU HB3 3.790 . 4.170 3.709 3.601 3.798 . 0 0 "[ . 1 . 2]" 1
1004 1 54 LEU H 1 54 LEU MD1 4.570 . 5.030 3.940 3.658 4.192 . 0 0 "[ . 1 . 2]" 1
1005 1 54 LEU H 1 54 LEU MD2 3.800 . 4.180 3.563 3.316 3.819 . 0 0 "[ . 1 . 2]" 1
1006 1 54 LEU H 1 54 LEU HG 3.180 . 3.500 2.744 2.319 3.164 . 0 0 "[ . 1 . 2]" 1
1007 1 54 LEU H 1 55 GLU H 3.570 . 3.930 3.376 2.394 3.990 0.060 17 0 "[ . 1 . 2]" 1
1008 1 54 LEU HA 1 54 LEU MD1 4.570 . 5.030 3.876 3.834 3.918 . 0 0 "[ . 1 . 2]" 1
1009 1 54 LEU HA 1 54 LEU MD2 3.440 . 3.780 2.052 1.957 2.149 . 0 0 "[ . 1 . 2]" 1
1010 1 54 LEU HA 1 55 GLU H 3.070 . 3.380 2.613 2.232 3.443 0.063 9 0 "[ . 1 . 2]" 1
1011 1 54 LEU QB 1 54 LEU MD1 3.100 . 3.410 2.112 2.106 2.120 . 0 0 "[ . 1 . 2]" 1
1012 1 54 LEU QB 1 54 LEU HG 2.540 . 2.790 2.357 2.335 2.372 . 0 0 "[ . 1 . 2]" 1
1013 1 54 LEU QB 1 55 GLU H 3.880 . 4.270 3.718 3.031 3.880 . 0 0 "[ . 1 . 2]" 1
1014 1 54 LEU QB 1 55 GLU HA 4.770 . 5.250 4.342 4.042 4.691 . 0 0 "[ . 1 . 2]" 1
1015 1 54 LEU HB2 1 55 GLU H 4.470 . 4.920 4.230 3.137 4.515 . 0 0 "[ . 1 . 2]" 1
1016 1 54 LEU HB3 1 55 GLU H 4.470 . 4.920 4.204 3.957 4.492 . 0 0 "[ . 1 . 2]" 1
1017 1 54 LEU MD2 1 55 GLU H 4.900 . 5.390 4.227 3.854 4.727 . 0 0 "[ . 1 . 2]" 1
1018 1 55 GLU H 1 55 GLU QB 3.670 . 4.040 2.614 2.330 3.368 . 0 0 "[ . 1 . 2]" 1
1019 1 55 GLU H 1 55 GLU HG2 4.150 . 4.570 3.110 2.070 3.931 . 0 0 "[ . 1 . 2]" 1
1020 1 55 GLU H 1 55 GLU HG3 4.150 . 4.570 2.877 1.776 4.013 0.024 20 0 "[ . 1 . 2]" 1
1021 1 55 GLU HA 1 55 GLU QG 3.720 . 4.090 2.857 2.398 3.443 . 0 0 "[ . 1 . 2]" 1
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