NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
467182 |
2kkr   |
16397 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kkr
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 1429
_Distance_constraint_stats_list.Viol_count 4784
_Distance_constraint_stats_list.Viol_total 6349.720
_Distance_constraint_stats_list.Viol_max 0.487
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0664
_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 12 ARG 10.990 0.262 13 0 "[ . 1 . 2]"
1 13 GLU 11.544 0.322 18 0 "[ . 1 . 2]"
1 14 PHE 17.950 0.322 18 0 "[ . 1 . 2]"
1 15 ASP 14.985 0.277 15 0 "[ . 1 . 2]"
1 16 PRO 7.751 0.133 10 0 "[ . 1 . 2]"
1 17 ASP 1.896 0.117 4 0 "[ . 1 . 2]"
1 18 ILE 10.024 0.277 15 0 "[ . 1 . 2]"
1 19 HIS 9.055 0.487 19 0 "[ . 1 . 2]"
1 20 CYS 16.704 0.347 10 0 "[ . 1 . 2]"
1 21 GLY 2.944 0.073 12 0 "[ . 1 . 2]"
1 22 VAL 9.149 0.334 1 0 "[ . 1 . 2]"
1 23 ILE 13.122 0.272 3 0 "[ . 1 . 2]"
1 24 ASP 9.609 0.272 3 0 "[ . 1 . 2]"
1 25 LEU 5.815 0.177 11 0 "[ . 1 . 2]"
1 26 ASP 2.923 0.287 18 0 "[ . 1 . 2]"
1 27 THR 4.596 0.287 18 0 "[ . 1 . 2]"
1 28 LYS 7.355 0.180 8 0 "[ . 1 . 2]"
1 29 LYS 12.682 0.204 9 0 "[ . 1 . 2]"
1 30 PRO 22.048 0.229 4 0 "[ . 1 . 2]"
1 31 CYS 9.725 0.203 6 0 "[ . 1 . 2]"
1 32 THR 13.394 0.295 19 0 "[ . 1 . 2]"
1 33 ARG 16.719 0.342 19 0 "[ . 1 . 2]"
1 34 SER 6.589 0.221 19 0 "[ . 1 . 2]"
1 35 LEU 5.203 0.112 4 0 "[ . 1 . 2]"
1 36 THR 8.203 0.196 2 0 "[ . 1 . 2]"
1 37 CYS 7.741 0.158 1 0 "[ . 1 . 2]"
1 38 LYS 7.833 0.162 16 0 "[ . 1 . 2]"
1 39 THR 9.239 0.209 16 0 "[ . 1 . 2]"
1 40 HIS 10.953 0.334 1 0 "[ . 1 . 2]"
1 41 SER 12.087 0.211 1 0 "[ . 1 . 2]"
1 42 LEU 10.118 0.150 1 0 "[ . 1 . 2]"
1 43 THR 6.008 0.189 14 0 "[ . 1 . 2]"
1 44 GLN 8.959 0.211 1 0 "[ . 1 . 2]"
1 45 ARG 10.766 0.162 10 0 "[ . 1 . 2]"
1 46 ARG 8.296 0.150 1 0 "[ . 1 . 2]"
1 47 ALA 2.333 0.117 20 0 "[ . 1 . 2]"
1 48 VAL 6.202 0.278 11 0 "[ . 1 . 2]"
1 49 GLN 2.128 0.259 20 0 "[ . 1 . 2]"
1 50 GLY 5.270 0.158 11 0 "[ . 1 . 2]"
1 51 ARG 19.875 0.347 10 0 "[ . 1 . 2]"
1 52 ARG 6.111 0.200 10 0 "[ . 1 . 2]"
1 53 LYS 10.959 0.265 4 0 "[ . 1 . 2]"
1 54 ARG 5.478 0.229 18 0 "[ . 1 . 2]"
1 55 PHE 13.408 0.208 4 0 "[ . 1 . 2]"
1 56 ASP 10.359 0.191 16 0 "[ . 1 . 2]"
1 57 VAL 14.502 0.265 4 0 "[ . 1 . 2]"
1 58 LEU 22.854 0.200 10 0 "[ . 1 . 2]"
1 59 LEU 15.858 0.208 4 0 "[ . 1 . 2]"
1 60 ALA 3.445 0.092 4 0 "[ . 1 . 2]"
1 61 GLU 8.126 0.243 17 0 "[ . 1 . 2]"
1 62 HIS 18.525 0.340 15 0 "[ . 1 . 2]"
1 63 LYS 22.898 0.484 16 0 "[ . 1 . 2]"
1 64 ASN 9.337 0.257 4 0 "[ . 1 . 2]"
1 65 LYS 5.043 0.149 7 0 "[ . 1 . 2]"
1 66 THR 7.695 0.247 10 0 "[ . 1 . 2]"
1 67 ARG 21.058 0.484 16 0 "[ . 1 . 2]"
1 68 GLU 2.580 0.183 2 0 "[ . 1 . 2]"
1 69 LYS 4.499 0.166 10 0 "[ . 1 . 2]"
1 70 GLU 2.531 0.199 12 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 12 ARG H 1 12 ARG HB2 3.900 . 3.900 2.529 2.195 3.546 . 0 0 "[ . 1 . 2]" 1
2 1 12 ARG H 1 12 ARG QD 5.100 . 5.100 4.075 3.380 4.470 . 0 0 "[ . 1 . 2]" 1
3 1 12 ARG H 1 12 ARG HG2 4.180 . 4.180 3.668 1.961 4.374 0.194 1 0 "[ . 1 . 2]" 1
4 1 12 ARG H 1 12 ARG HG3 4.250 . 4.250 3.036 2.262 4.154 . 0 0 "[ . 1 . 2]" 1
5 1 12 ARG HA 1 12 ARG QD 4.340 . 4.340 3.869 2.236 4.359 0.019 2 0 "[ . 1 . 2]" 1
6 1 12 ARG HA 1 12 ARG HG2 3.310 . 3.310 2.884 2.544 3.356 0.046 18 0 "[ . 1 . 2]" 1
7 1 12 ARG HA 1 12 ARG HG3 3.890 . 3.890 3.263 2.635 3.937 0.047 8 0 "[ . 1 . 2]" 1
8 1 12 ARG HA 1 13 GLU H 3.070 . 3.070 2.912 2.344 3.248 0.178 19 0 "[ . 1 . 2]" 1
9 1 12 ARG HA 1 13 GLU HB2 5.490 . 5.490 5.656 5.605 5.752 0.262 13 0 "[ . 1 . 2]" 1
10 1 12 ARG HA 1 13 GLU HG2 5.500 . 5.500 5.226 4.131 5.695 0.195 16 0 "[ . 1 . 2]" 1
11 1 12 ARG HA 1 14 PHE H 4.430 . 4.430 4.485 3.928 4.632 0.202 14 0 "[ . 1 . 2]" 1
12 1 12 ARG HB2 1 13 GLU H 3.950 . 3.950 2.270 1.711 3.189 0.089 17 0 "[ . 1 . 2]" 1
13 1 12 ARG HB2 1 14 PHE H 5.230 . 5.230 4.488 3.801 5.045 . 0 0 "[ . 1 . 2]" 1
14 1 12 ARG HB3 1 13 GLU H 4.550 . 4.550 2.168 1.793 2.837 0.007 9 0 "[ . 1 . 2]" 1
15 1 12 ARG HB3 1 14 PHE H 4.870 . 4.870 4.934 4.547 5.107 0.237 19 0 "[ . 1 . 2]" 1
16 1 12 ARG HG2 1 13 GLU H 5.130 . 5.130 4.216 3.658 4.743 . 0 0 "[ . 1 . 2]" 1
17 1 12 ARG HG3 1 13 GLU H 5.300 . 5.300 4.242 3.858 4.790 . 0 0 "[ . 1 . 2]" 1
18 1 13 GLU H 1 13 GLU HB2 3.710 . 3.710 3.567 3.450 3.714 0.004 19 0 "[ . 1 . 2]" 1
19 1 13 GLU H 1 13 GLU HB3 3.450 . 3.450 2.543 2.263 2.806 . 0 0 "[ . 1 . 2]" 1
20 1 13 GLU H 1 13 GLU HG2 4.320 . 4.320 2.391 1.974 2.727 . 0 0 "[ . 1 . 2]" 1
21 1 13 GLU H 1 13 GLU HG3 5.060 . 5.060 3.774 3.421 4.028 . 0 0 "[ . 1 . 2]" 1
22 1 13 GLU HA 1 13 GLU HB2 2.920 . 2.920 2.309 2.213 2.424 . 0 0 "[ . 1 . 2]" 1
23 1 13 GLU HA 1 13 GLU HG2 4.220 . 4.220 3.528 3.303 3.609 . 0 0 "[ . 1 . 2]" 1
24 1 13 GLU HA 1 14 PHE H 3.030 . 3.030 2.022 1.929 2.144 . 0 0 "[ . 1 . 2]" 1
25 1 13 GLU HA 1 14 PHE HA 5.230 . 5.230 4.444 4.367 4.593 . 0 0 "[ . 1 . 2]" 1
26 1 13 GLU HA 1 14 PHE HB2 5.050 . 5.050 4.668 4.363 4.881 . 0 0 "[ . 1 . 2]" 1
27 1 13 GLU HA 1 14 PHE HB3 4.380 . 4.380 4.244 3.974 4.401 0.021 8 0 "[ . 1 . 2]" 1
28 1 13 GLU HB2 1 14 PHE H 4.130 . 4.130 3.946 3.876 4.092 . 0 0 "[ . 1 . 2]" 1
29 1 13 GLU HB3 1 14 PHE H 4.590 . 4.590 4.336 4.202 4.446 . 0 0 "[ . 1 . 2]" 1
30 1 13 GLU HG2 1 14 PHE H 4.240 . 4.240 4.271 3.839 4.399 0.159 14 0 "[ . 1 . 2]" 1
31 1 13 GLU HG2 1 14 PHE HA 5.290 . 5.290 5.066 4.531 5.295 0.005 10 0 "[ . 1 . 2]" 1
32 1 13 GLU HG2 1 15 ASP HA 5.280 . 5.280 5.396 5.340 5.474 0.194 16 0 "[ . 1 . 2]" 1
33 1 13 GLU HG2 1 32 THR MG 5.500 . 5.500 5.216 4.384 5.591 0.091 14 0 "[ . 1 . 2]" 1
34 1 13 GLU HG3 1 14 PHE H 4.780 . 4.780 4.807 4.581 5.102 0.322 18 0 "[ . 1 . 2]" 1
35 1 14 PHE H 1 14 PHE HB2 3.340 . 3.340 2.822 2.636 2.984 . 0 0 "[ . 1 . 2]" 1
36 1 14 PHE H 1 14 PHE HB3 3.410 . 3.410 2.937 2.839 3.040 . 0 0 "[ . 1 . 2]" 1
37 1 14 PHE H 1 15 ASP H 5.170 . 5.170 4.302 4.193 4.406 . 0 0 "[ . 1 . 2]" 1
38 1 14 PHE H 1 32 THR HG1 5.000 . 5.000 4.911 4.344 5.113 0.113 18 0 "[ . 1 . 2]" 1
39 1 14 PHE HA 1 14 PHE QD 3.190 . 3.190 2.327 2.221 2.448 . 0 0 "[ . 1 . 2]" 1
40 1 14 PHE HA 1 14 PHE QE 4.300 . 4.300 4.378 4.331 4.417 0.117 18 0 "[ . 1 . 2]" 1
41 1 14 PHE HA 1 15 ASP HB2 4.920 . 4.920 4.548 4.393 4.658 . 0 0 "[ . 1 . 2]" 1
42 1 14 PHE HA 1 19 HIS HB3 4.870 . 4.870 4.907 4.667 4.981 0.111 18 0 "[ . 1 . 2]" 1
43 1 14 PHE HA 1 32 THR HB 4.850 . 4.850 1.926 1.800 2.091 . 0 0 "[ . 1 . 2]" 1
44 1 14 PHE HA 1 32 THR HG1 3.540 . 3.540 2.966 2.203 3.209 . 0 0 "[ . 1 . 2]" 1
45 1 14 PHE HA 1 32 THR MG 3.820 . 3.820 2.187 1.877 2.725 . 0 0 "[ . 1 . 2]" 1
46 1 14 PHE HB2 1 15 ASP H 5.020 . 5.020 4.044 3.978 4.133 . 0 0 "[ . 1 . 2]" 1
47 1 14 PHE HB2 1 30 PRO HB2 5.300 . 5.300 3.138 2.963 3.357 . 0 0 "[ . 1 . 2]" 1
48 1 14 PHE HB2 1 30 PRO HB3 4.320 . 4.320 4.421 4.361 4.456 0.136 18 0 "[ . 1 . 2]" 1
49 1 14 PHE HB2 1 30 PRO HG2 4.710 . 4.710 2.102 1.962 2.178 . 0 0 "[ . 1 . 2]" 1
50 1 14 PHE HB2 1 30 PRO HG3 5.500 . 5.500 3.764 3.458 3.925 . 0 0 "[ . 1 . 2]" 1
51 1 14 PHE HB2 1 32 THR HG1 5.470 . 5.470 5.186 4.447 5.476 0.006 17 0 "[ . 1 . 2]" 1
52 1 14 PHE HB2 1 32 THR MG 4.120 . 4.120 2.607 2.195 3.252 . 0 0 "[ . 1 . 2]" 1
53 1 14 PHE HB3 1 15 ASP H 5.100 . 5.100 4.133 4.048 4.201 . 0 0 "[ . 1 . 2]" 1
54 1 14 PHE HB3 1 16 PRO HD2 5.400 . 5.400 5.433 5.318 5.472 0.072 19 0 "[ . 1 . 2]" 1
55 1 14 PHE HB3 1 30 PRO HB3 5.090 . 5.090 5.036 4.850 5.148 0.058 1 0 "[ . 1 . 2]" 1
56 1 14 PHE HB3 1 30 PRO HG2 5.200 . 5.200 2.806 2.474 3.013 . 0 0 "[ . 1 . 2]" 1
57 1 14 PHE HB3 1 30 PRO HG3 5.350 . 5.350 3.912 3.746 4.137 . 0 0 "[ . 1 . 2]" 1
58 1 14 PHE HB3 1 32 THR MG 4.440 . 4.440 3.883 3.441 4.479 0.039 19 0 "[ . 1 . 2]" 1
59 1 14 PHE QD 1 15 ASP H 4.160 . 4.160 2.840 2.658 3.065 . 0 0 "[ . 1 . 2]" 1
60 1 14 PHE QD 1 15 ASP HA 4.200 . 4.200 4.314 4.213 4.367 0.167 14 0 "[ . 1 . 2]" 1
61 1 14 PHE QD 1 16 PRO HB3 4.220 . 4.220 4.236 4.016 4.272 0.052 2 0 "[ . 1 . 2]" 1
62 1 14 PHE QD 1 16 PRO HD3 4.830 . 4.830 2.793 2.698 2.912 . 0 0 "[ . 1 . 2]" 1
63 1 14 PHE QD 1 16 PRO QG 5.170 . 5.170 4.047 3.911 4.248 . 0 0 "[ . 1 . 2]" 1
64 1 14 PHE QD 1 19 HIS HB2 3.430 . 3.430 3.393 3.162 3.485 0.055 18 0 "[ . 1 . 2]" 1
65 1 14 PHE QD 1 21 GLY H 4.160 . 4.160 3.756 3.600 3.865 . 0 0 "[ . 1 . 2]" 1
66 1 14 PHE QD 1 30 PRO HA 5.010 . 5.010 5.029 4.958 5.092 0.082 17 0 "[ . 1 . 2]" 1
67 1 14 PHE QD 1 30 PRO HB2 4.100 . 4.100 2.779 2.667 2.862 . 0 0 "[ . 1 . 2]" 1
68 1 14 PHE QD 1 30 PRO HB3 3.860 . 3.860 3.795 3.696 3.901 0.041 11 0 "[ . 1 . 2]" 1
69 1 14 PHE QD 1 30 PRO HD2 5.500 . 5.500 4.850 4.676 5.027 . 0 0 "[ . 1 . 2]" 1
70 1 14 PHE QD 1 30 PRO HG2 4.150 . 4.150 3.026 2.865 3.200 . 0 0 "[ . 1 . 2]" 1
71 1 14 PHE QD 1 30 PRO HG3 4.350 . 4.350 3.343 3.058 3.701 . 0 0 "[ . 1 . 2]" 1
72 1 14 PHE QD 1 32 THR H 3.700 . 3.700 3.512 3.223 3.720 0.020 8 0 "[ . 1 . 2]" 1
73 1 14 PHE QD 1 32 THR HA 4.010 . 4.010 3.241 2.923 3.404 . 0 0 "[ . 1 . 2]" 1
74 1 14 PHE QD 1 32 THR HB 5.230 . 5.230 1.895 1.776 2.060 0.024 19 0 "[ . 1 . 2]" 1
75 1 14 PHE QD 1 32 THR HG1 4.560 . 4.560 3.836 3.203 4.003 . 0 0 "[ . 1 . 2]" 1
76 1 14 PHE QD 1 32 THR MG 3.480 . 3.480 2.623 2.258 3.294 . 0 0 "[ . 1 . 2]" 1
77 1 14 PHE QE 1 15 ASP H 5.500 . 5.500 4.045 3.863 4.243 . 0 0 "[ . 1 . 2]" 1
78 1 14 PHE QE 1 16 PRO HB2 3.980 . 3.980 3.983 3.880 4.020 0.040 7 0 "[ . 1 . 2]" 1
79 1 14 PHE QE 1 16 PRO HB3 3.810 . 3.810 2.326 2.196 2.420 . 0 0 "[ . 1 . 2]" 1
80 1 14 PHE QE 1 16 PRO HD3 4.530 . 4.530 2.868 2.650 3.086 . 0 0 "[ . 1 . 2]" 1
81 1 14 PHE QE 1 16 PRO QG 5.330 . 5.330 3.043 2.792 3.525 . 0 0 "[ . 1 . 2]" 1
82 1 14 PHE QE 1 19 HIS H 4.460 . 4.460 4.466 4.207 4.515 0.055 10 0 "[ . 1 . 2]" 1
83 1 14 PHE QE 1 19 HIS HB2 3.590 . 3.590 3.167 2.914 3.391 . 0 0 "[ . 1 . 2]" 1
84 1 14 PHE QE 1 19 HIS HB3 3.550 . 3.550 3.307 2.703 3.559 0.009 17 0 "[ . 1 . 2]" 1
85 1 14 PHE QE 1 20 CYS H 4.800 . 4.800 4.032 3.801 4.241 . 0 0 "[ . 1 . 2]" 1
86 1 14 PHE QE 1 20 CYS HB3 5.180 . 5.180 4.271 4.055 4.599 . 0 0 "[ . 1 . 2]" 1
87 1 14 PHE QE 1 21 GLY H 3.980 . 3.980 1.958 1.796 2.117 0.004 11 0 "[ . 1 . 2]" 1
88 1 14 PHE QE 1 21 GLY QA 3.540 . 3.540 2.077 1.907 2.235 . 0 0 "[ . 1 . 2]" 1
89 1 14 PHE QE 1 30 PRO HA 5.440 . 5.440 4.874 4.761 5.033 . 0 0 "[ . 1 . 2]" 1
90 1 14 PHE QE 1 30 PRO HB2 4.200 . 4.200 3.204 3.109 3.349 . 0 0 "[ . 1 . 2]" 1
91 1 14 PHE QE 1 30 PRO HB3 4.060 . 4.060 3.530 3.339 3.837 . 0 0 "[ . 1 . 2]" 1
92 1 14 PHE QE 1 30 PRO HG2 5.070 . 5.070 4.212 4.059 4.432 . 0 0 "[ . 1 . 2]" 1
93 1 14 PHE QE 1 30 PRO HG3 4.880 . 4.880 4.058 3.779 4.536 . 0 0 "[ . 1 . 2]" 1
94 1 14 PHE QE 1 32 THR H 5.110 . 5.110 4.764 4.507 5.020 . 0 0 "[ . 1 . 2]" 1
95 1 14 PHE QE 1 32 THR HA 4.430 . 4.430 3.828 3.516 4.055 . 0 0 "[ . 1 . 2]" 1
96 1 14 PHE QE 1 32 THR HG1 5.500 . 5.500 5.258 4.655 5.504 0.004 13 0 "[ . 1 . 2]" 1
97 1 14 PHE QE 1 32 THR MG 4.780 . 4.780 4.429 4.138 4.900 0.120 19 0 "[ . 1 . 2]" 1
98 1 15 ASP H 1 18 ILE HG12 5.500 . 5.500 4.032 3.436 4.252 . 0 0 "[ . 1 . 2]" 1
99 1 15 ASP H 1 30 PRO HG2 5.500 . 5.500 5.685 5.647 5.720 0.220 8 0 "[ . 1 . 2]" 1
100 1 15 ASP H 1 32 THR HG1 4.180 . 4.180 2.731 2.130 2.857 . 0 0 "[ . 1 . 2]" 1
101 1 15 ASP HA 1 16 PRO HA 4.640 . 4.640 4.548 4.492 4.619 . 0 0 "[ . 1 . 2]" 1
102 1 15 ASP HA 1 16 PRO HB2 5.500 . 5.500 5.533 5.509 5.570 0.070 16 0 "[ . 1 . 2]" 1
103 1 15 ASP HA 1 16 PRO HD2 3.150 . 3.150 2.069 1.958 2.154 . 0 0 "[ . 1 . 2]" 1
104 1 15 ASP HA 1 16 PRO HD3 3.220 . 3.220 2.689 2.613 2.741 . 0 0 "[ . 1 . 2]" 1
105 1 15 ASP HA 1 16 PRO QG 4.200 . 4.200 3.937 3.841 4.016 . 0 0 "[ . 1 . 2]" 1
106 1 15 ASP HA 1 17 ASP H 4.830 . 4.830 3.871 3.453 4.208 . 0 0 "[ . 1 . 2]" 1
107 1 15 ASP HA 1 19 HIS H 5.360 . 5.360 5.057 4.860 5.433 0.073 19 0 "[ . 1 . 2]" 1
108 1 15 ASP HA 1 32 THR HG1 5.380 . 5.380 5.358 4.951 5.468 0.088 15 0 "[ . 1 . 2]" 1
109 1 15 ASP HB2 1 18 ILE HB 4.380 . 4.380 4.557 4.447 4.657 0.277 15 0 "[ . 1 . 2]" 1
110 1 15 ASP HB2 1 18 ILE MD 3.800 . 3.800 2.452 2.035 2.679 . 0 0 "[ . 1 . 2]" 1
111 1 15 ASP HB2 1 18 ILE HG12 3.160 . 3.160 1.932 1.823 2.299 . 0 0 "[ . 1 . 2]" 1
112 1 15 ASP HB2 1 18 ILE HG13 4.080 . 4.080 3.534 3.328 3.722 . 0 0 "[ . 1 . 2]" 1
113 1 15 ASP HB2 1 32 THR HG1 4.390 . 4.390 3.715 3.552 4.209 . 0 0 "[ . 1 . 2]" 1
114 1 15 ASP HB3 1 16 PRO HD2 4.750 . 4.750 3.770 3.668 3.955 . 0 0 "[ . 1 . 2]" 1
115 1 15 ASP HB3 1 16 PRO HD3 5.010 . 5.010 4.800 4.727 4.883 . 0 0 "[ . 1 . 2]" 1
116 1 15 ASP HB3 1 18 ILE H 4.820 . 4.820 2.945 2.404 3.260 . 0 0 "[ . 1 . 2]" 1
117 1 15 ASP HB3 1 18 ILE HB 4.570 . 4.570 4.504 4.180 4.612 0.042 14 0 "[ . 1 . 2]" 1
118 1 15 ASP HB3 1 18 ILE MD 3.550 . 3.550 2.897 2.650 3.165 . 0 0 "[ . 1 . 2]" 1
119 1 15 ASP HB3 1 18 ILE HG12 4.210 . 4.210 2.689 1.964 2.928 . 0 0 "[ . 1 . 2]" 1
120 1 15 ASP HB3 1 18 ILE HG13 4.420 . 4.420 4.296 3.635 4.469 0.049 17 0 "[ . 1 . 2]" 1
121 1 15 ASP HB3 1 18 ILE MG 3.840 . 3.840 2.006 1.926 2.165 . 0 0 "[ . 1 . 2]" 1
122 1 15 ASP HB3 1 32 THR HG1 5.170 . 5.170 5.249 4.972 5.318 0.148 6 0 "[ . 1 . 2]" 1
123 1 16 PRO HA 1 17 ASP HA 4.690 . 4.690 4.723 4.633 4.765 0.075 16 0 "[ . 1 . 2]" 1
124 1 16 PRO HA 1 18 ILE MG 5.230 . 5.230 5.292 5.264 5.341 0.111 15 0 "[ . 1 . 2]" 1
125 1 16 PRO HA 1 19 HIS H 3.870 . 3.870 3.459 3.320 3.689 . 0 0 "[ . 1 . 2]" 1
126 1 16 PRO HB2 1 18 ILE H 4.750 . 4.750 4.822 4.786 4.883 0.133 10 0 "[ . 1 . 2]" 1
127 1 16 PRO HB2 1 50 GLY HA2 3.330 . 3.330 3.324 3.164 3.403 0.073 10 0 "[ . 1 . 2]" 1
128 1 16 PRO HB2 1 50 GLY HA3 4.290 . 4.290 3.834 3.574 4.301 0.011 11 0 "[ . 1 . 2]" 1
129 1 16 PRO HB2 1 51 ARG H 5.500 . 5.500 4.808 4.454 5.002 . 0 0 "[ . 1 . 2]" 1
130 1 16 PRO HB2 1 51 ARG HA 4.340 . 4.340 3.839 3.374 4.148 . 0 0 "[ . 1 . 2]" 1
131 1 16 PRO HB3 1 50 GLY HA2 4.870 . 4.870 3.398 2.887 3.779 . 0 0 "[ . 1 . 2]" 1
132 1 16 PRO HB3 1 50 GLY HA3 5.060 . 5.060 3.821 3.517 4.306 . 0 0 "[ . 1 . 2]" 1
133 1 16 PRO HD2 1 17 ASP H 4.210 . 4.210 2.965 2.566 3.398 . 0 0 "[ . 1 . 2]" 1
134 1 16 PRO HD3 1 17 ASP H 4.580 . 4.580 3.990 3.649 4.266 . 0 0 "[ . 1 . 2]" 1
135 1 16 PRO QG 1 17 ASP H 4.400 . 4.400 2.467 2.289 2.639 . 0 0 "[ . 1 . 2]" 1
136 1 16 PRO QG 1 17 ASP QB 5.440 . 5.440 4.017 3.196 4.356 . 0 0 "[ . 1 . 2]" 1
137 1 16 PRO QG 1 50 GLY HA2 4.630 . 4.630 4.716 4.655 4.757 0.127 5 0 "[ . 1 . 2]" 1
138 1 17 ASP H 1 17 ASP QB 3.050 . 3.050 2.372 2.084 2.526 . 0 0 "[ . 1 . 2]" 1
139 1 17 ASP H 1 18 ILE H 3.240 . 3.240 2.567 2.382 2.694 . 0 0 "[ . 1 . 2]" 1
140 1 17 ASP H 1 18 ILE HA 5.360 . 5.360 5.194 5.101 5.285 . 0 0 "[ . 1 . 2]" 1
141 1 17 ASP H 1 18 ILE MG 4.700 . 4.700 3.314 3.137 3.441 . 0 0 "[ . 1 . 2]" 1
142 1 17 ASP HA 1 18 ILE MG 5.060 . 5.060 4.134 4.014 4.257 . 0 0 "[ . 1 . 2]" 1
143 1 17 ASP HA 1 19 HIS H 4.850 . 4.850 4.673 4.372 4.921 0.071 16 0 "[ . 1 . 2]" 1
144 1 17 ASP HA 1 51 ARG HA 4.480 . 4.480 2.118 1.852 2.653 . 0 0 "[ . 1 . 2]" 1
145 1 17 ASP HA 1 51 ARG HB2 5.380 . 5.380 4.808 4.583 5.379 . 0 0 "[ . 1 . 2]" 1
146 1 17 ASP HA 1 51 ARG HB3 3.980 . 3.980 3.668 3.290 4.079 0.099 16 0 "[ . 1 . 2]" 1
147 1 17 ASP HA 1 51 ARG HG3 5.370 . 5.370 4.814 4.487 5.373 0.003 16 0 "[ . 1 . 2]" 1
148 1 17 ASP HA 1 52 ARG H 5.120 . 5.120 2.484 2.119 3.044 . 0 0 "[ . 1 . 2]" 1
149 1 17 ASP HA 1 52 ARG QD 3.940 . 3.940 3.726 3.294 4.010 0.070 20 0 "[ . 1 . 2]" 1
150 1 17 ASP QB 1 18 ILE H 3.970 . 3.970 3.039 2.881 3.291 . 0 0 "[ . 1 . 2]" 1
151 1 17 ASP QB 1 18 ILE HA 4.910 . 4.910 4.088 3.839 4.412 . 0 0 "[ . 1 . 2]" 1
152 1 17 ASP QB 1 18 ILE HB 4.940 . 4.940 4.676 4.428 4.987 0.047 19 0 "[ . 1 . 2]" 1
153 1 17 ASP QB 1 18 ILE MD 4.880 . 4.880 4.845 4.579 4.983 0.103 19 0 "[ . 1 . 2]" 1
154 1 17 ASP QB 1 18 ILE MG 3.760 . 3.760 2.394 2.154 2.544 . 0 0 "[ . 1 . 2]" 1
155 1 17 ASP QB 1 52 ARG HG3 4.860 . 4.860 4.449 3.626 4.977 0.117 4 0 "[ . 1 . 2]" 1
156 1 18 ILE H 1 18 ILE HB 4.060 . 4.060 3.848 3.730 3.928 . 0 0 "[ . 1 . 2]" 1
157 1 18 ILE H 1 18 ILE MD 4.510 . 4.510 4.155 3.977 4.241 . 0 0 "[ . 1 . 2]" 1
158 1 18 ILE H 1 18 ILE HG12 4.000 . 4.000 2.986 2.636 3.156 . 0 0 "[ . 1 . 2]" 1
159 1 18 ILE H 1 18 ILE HG13 4.580 . 4.580 4.047 3.728 4.190 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE H 1 18 ILE MG 3.840 . 3.840 2.188 1.990 2.328 . 0 0 "[ . 1 . 2]" 1
161 1 18 ILE H 1 19 HIS H 3.150 . 3.150 1.917 1.797 2.090 0.003 15 0 "[ . 1 . 2]" 1
162 1 18 ILE H 1 19 HIS HA 4.750 . 4.750 4.632 4.559 4.754 0.004 4 0 "[ . 1 . 2]" 1
163 1 18 ILE HA 1 18 ILE MD 4.570 . 4.570 4.165 4.115 4.197 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE HA 1 18 ILE HG12 3.750 . 3.750 3.767 3.736 3.796 0.046 13 0 "[ . 1 . 2]" 1
165 1 18 ILE HA 1 18 ILE MG 3.110 . 3.110 2.740 2.619 2.812 . 0 0 "[ . 1 . 2]" 1
166 1 18 ILE HA 1 35 LEU QD 3.620 . 3.620 3.240 2.863 3.630 0.010 7 0 "[ . 1 . 2]" 1
167 1 18 ILE HA 1 35 LEU HG 4.810 . 4.810 4.373 3.818 4.885 0.075 15 0 "[ . 1 . 2]" 1
168 1 18 ILE HB 1 18 ILE MD 3.140 . 3.140 2.468 2.394 2.525 . 0 0 "[ . 1 . 2]" 1
169 1 18 ILE HB 1 19 HIS H 4.330 . 4.330 4.359 4.298 4.409 0.079 6 0 "[ . 1 . 2]" 1
170 1 18 ILE MD 1 19 HIS H 4.480 . 4.480 4.361 4.179 4.549 0.069 4 0 "[ . 1 . 2]" 1
171 1 18 ILE MD 1 32 THR HG1 4.030 . 4.030 4.016 3.488 4.120 0.090 9 0 "[ . 1 . 2]" 1
172 1 18 ILE HG12 1 19 HIS H 3.760 . 3.760 2.759 2.521 3.039 . 0 0 "[ . 1 . 2]" 1
173 1 18 ILE HG12 1 19 HIS HD2 4.400 . 4.400 4.399 3.525 4.497 0.097 12 0 "[ . 1 . 2]" 1
174 1 18 ILE HG13 1 19 HIS H 4.930 . 4.930 3.575 3.340 3.879 . 0 0 "[ . 1 . 2]" 1
175 1 18 ILE HG13 1 19 HIS HA 5.500 . 5.500 3.478 3.234 3.869 . 0 0 "[ . 1 . 2]" 1
176 1 18 ILE HG13 1 19 HIS HD2 4.870 . 4.870 3.694 3.097 3.943 . 0 0 "[ . 1 . 2]" 1
177 1 18 ILE MG 1 19 HIS H 4.500 . 4.500 3.486 3.350 3.679 . 0 0 "[ . 1 . 2]" 1
178 1 19 HIS H 1 19 HIS HB2 3.970 . 3.970 2.474 2.325 2.671 . 0 0 "[ . 1 . 2]" 1
179 1 19 HIS H 1 19 HIS HB3 3.720 . 3.720 3.626 3.537 3.720 . 0 0 "[ . 1 . 2]" 1
180 1 19 HIS H 1 32 THR HA 5.370 . 5.370 5.240 5.030 5.394 0.024 15 0 "[ . 1 . 2]" 1
181 1 19 HIS HA 1 19 HIS HD2 3.170 . 3.170 2.434 2.206 3.657 0.487 19 0 "[ . 1 . 2]" 1
182 1 19 HIS HA 1 20 CYS H 3.090 . 3.090 2.433 2.330 2.531 . 0 0 "[ . 1 . 2]" 1
183 1 19 HIS HA 1 20 CYS HA 5.000 . 5.000 4.138 4.077 4.243 . 0 0 "[ . 1 . 2]" 1
184 1 19 HIS HA 1 20 CYS HB2 4.650 . 4.650 4.385 4.172 4.489 . 0 0 "[ . 1 . 2]" 1
185 1 19 HIS HA 1 20 CYS HB3 5.470 . 5.470 4.909 4.787 4.988 . 0 0 "[ . 1 . 2]" 1
186 1 19 HIS HA 1 21 GLY H 5.170 . 5.170 4.878 4.561 4.999 . 0 0 "[ . 1 . 2]" 1
187 1 19 HIS HA 1 32 THR HA 4.210 . 4.210 4.160 3.999 4.287 0.077 17 0 "[ . 1 . 2]" 1
188 1 19 HIS HA 1 33 ARG H 5.280 . 5.280 5.261 4.818 5.381 0.101 4 0 "[ . 1 . 2]" 1
189 1 19 HIS HA 1 34 SER HA 3.910 . 3.910 3.944 3.786 4.036 0.126 5 0 "[ . 1 . 2]" 1
190 1 19 HIS HA 1 35 LEU H 4.590 . 4.590 4.384 4.208 4.590 . 0 0 "[ . 1 . 2]" 1
191 1 19 HIS HA 1 35 LEU QD 4.770 . 4.770 2.829 1.982 3.431 . 0 0 "[ . 1 . 2]" 1
192 1 19 HIS HB2 1 20 CYS H 3.940 . 3.940 3.267 3.185 3.361 . 0 0 "[ . 1 . 2]" 1
193 1 19 HIS HB2 1 21 GLY H 4.330 . 4.330 3.928 3.485 4.112 . 0 0 "[ . 1 . 2]" 1
194 1 19 HIS HB2 1 32 THR H 5.500 . 5.500 5.388 5.268 5.470 . 0 0 "[ . 1 . 2]" 1
195 1 19 HIS HB2 1 32 THR HA 3.620 . 3.620 2.922 2.696 3.042 . 0 0 "[ . 1 . 2]" 1
196 1 19 HIS HB2 1 32 THR HB 5.340 . 5.340 3.089 2.899 3.814 . 0 0 "[ . 1 . 2]" 1
197 1 19 HIS HB2 1 32 THR MG 4.850 . 4.850 4.566 4.447 4.710 . 0 0 "[ . 1 . 2]" 1
198 1 19 HIS HB2 1 33 ARG H 5.100 . 5.100 5.120 4.800 5.180 0.080 1 0 "[ . 1 . 2]" 1
199 1 19 HIS HB3 1 20 CYS H 4.550 . 4.550 1.793 1.734 1.894 0.066 19 0 "[ . 1 . 2]" 1
200 1 19 HIS HB3 1 21 GLY H 4.880 . 4.880 3.187 2.803 3.323 . 0 0 "[ . 1 . 2]" 1
201 1 19 HIS HB3 1 32 THR HA 3.630 . 3.630 1.811 1.751 1.880 0.049 4 0 "[ . 1 . 2]" 1
202 1 19 HIS HD2 1 20 CYS H 3.940 . 3.940 3.301 3.016 4.077 0.137 19 0 "[ . 1 . 2]" 1
203 1 19 HIS HD2 1 20 CYS HB3 5.430 . 5.430 5.370 5.179 5.597 0.167 19 0 "[ . 1 . 2]" 1
204 1 19 HIS HD2 1 32 THR HA 3.720 . 3.720 3.625 2.204 3.765 0.045 4 0 "[ . 1 . 2]" 1
205 1 19 HIS HD2 1 32 THR HB 5.500 . 5.500 5.199 3.118 5.513 0.013 18 0 "[ . 1 . 2]" 1
206 1 19 HIS HD2 1 32 THR HG1 4.890 . 4.890 4.277 1.759 4.825 0.041 19 0 "[ . 1 . 2]" 1
207 1 19 HIS HD2 1 33 ARG H 5.500 . 5.500 4.293 3.966 4.540 . 0 0 "[ . 1 . 2]" 1
208 1 19 HIS HD2 1 33 ARG HA 5.260 . 5.260 5.167 4.881 5.602 0.342 19 0 "[ . 1 . 2]" 1
209 1 19 HIS HD2 1 34 SER H 5.480 . 5.480 3.580 3.259 5.551 0.071 19 0 "[ . 1 . 2]" 1
210 1 19 HIS HE1 1 32 THR HG1 5.500 . 5.500 2.781 2.441 5.532 0.032 19 0 "[ . 1 . 2]" 1
211 1 19 HIS HE1 1 32 THR MG 4.880 . 4.880 4.878 4.725 5.175 0.295 19 0 "[ . 1 . 2]" 1
212 1 20 CYS H 1 20 CYS HB2 3.450 . 3.450 2.311 2.176 2.376 . 0 0 "[ . 1 . 2]" 1
213 1 20 CYS H 1 20 CYS HB3 3.560 . 3.560 2.485 2.366 2.546 . 0 0 "[ . 1 . 2]" 1
214 1 20 CYS H 1 21 GLY H 3.990 . 3.990 3.001 2.814 3.097 . 0 0 "[ . 1 . 2]" 1
215 1 20 CYS H 1 32 THR HA 4.380 . 4.380 2.987 2.948 3.040 . 0 0 "[ . 1 . 2]" 1
216 1 20 CYS H 1 32 THR MG 5.500 . 5.500 5.554 5.503 5.600 0.100 9 0 "[ . 1 . 2]" 1
217 1 20 CYS H 1 33 ARG H 4.340 . 4.340 3.512 3.163 3.669 . 0 0 "[ . 1 . 2]" 1
218 1 20 CYS H 1 34 SER HA 4.340 . 4.340 4.403 4.342 4.461 0.121 3 0 "[ . 1 . 2]" 1
219 1 20 CYS H 1 35 LEU HA 4.770 . 4.770 3.952 3.637 4.178 . 0 0 "[ . 1 . 2]" 1
220 1 20 CYS H 1 37 CYS HB2 4.490 . 4.490 4.513 4.376 4.621 0.131 2 0 "[ . 1 . 2]" 1
221 1 20 CYS HA 1 22 VAL QG 3.900 . 3.900 3.749 3.636 3.887 . 0 0 "[ . 1 . 2]" 1
222 1 20 CYS HA 1 32 THR HA 5.500 . 5.500 5.589 5.525 5.652 0.152 1 0 "[ . 1 . 2]" 1
223 1 20 CYS HA 1 35 LEU HA 4.110 . 4.110 3.566 2.951 3.852 . 0 0 "[ . 1 . 2]" 1
224 1 20 CYS HA 1 45 ARG QB 4.760 . 4.760 4.215 3.912 4.515 . 0 0 "[ . 1 . 2]" 1
225 1 20 CYS HA 1 45 ARG HG2 4.460 . 4.460 4.199 3.900 4.432 . 0 0 "[ . 1 . 2]" 1
226 1 20 CYS HA 1 45 ARG HG3 5.500 . 5.500 4.081 3.950 4.204 . 0 0 "[ . 1 . 2]" 1
227 1 20 CYS HA 1 51 ARG HG3 4.290 . 4.290 4.563 4.498 4.637 0.347 10 0 "[ . 1 . 2]" 1
228 1 20 CYS HA 1 51 ARG HH12 4.940 . 4.940 4.976 4.911 5.025 0.085 17 0 "[ . 1 . 2]" 1
229 1 20 CYS HA 1 51 ARG HH21 5.500 . 5.500 2.448 2.208 2.581 . 0 0 "[ . 1 . 2]" 1
230 1 20 CYS HA 1 51 ARG HH22 4.740 . 4.740 3.297 3.161 3.476 . 0 0 "[ . 1 . 2]" 1
231 1 20 CYS HB2 1 21 GLY H 3.820 . 3.820 3.853 3.827 3.885 0.065 10 0 "[ . 1 . 2]" 1
232 1 20 CYS HB2 1 32 THR HA 4.190 . 4.190 4.339 4.305 4.382 0.192 19 0 "[ . 1 . 2]" 1
233 1 20 CYS HB2 1 33 ARG H 4.580 . 4.580 3.409 3.259 3.528 . 0 0 "[ . 1 . 2]" 1
234 1 20 CYS HB2 1 33 ARG HB2 4.720 . 4.720 3.386 3.220 3.498 . 0 0 "[ . 1 . 2]" 1
235 1 20 CYS HB2 1 36 THR H 5.020 . 5.020 5.050 4.998 5.110 0.090 10 0 "[ . 1 . 2]" 1
236 1 20 CYS HB2 1 37 CYS H 4.490 . 4.490 3.758 3.600 3.917 . 0 0 "[ . 1 . 2]" 1
237 1 20 CYS HB2 1 37 CYS HA 4.510 . 4.510 4.471 4.367 4.566 0.056 10 0 "[ . 1 . 2]" 1
238 1 20 CYS HB2 1 51 ARG HH21 5.290 . 5.290 4.669 4.545 4.887 . 0 0 "[ . 1 . 2]" 1
239 1 20 CYS HB3 1 21 GLY H 3.640 . 3.640 2.517 2.451 2.689 . 0 0 "[ . 1 . 2]" 1
240 1 20 CYS HB3 1 21 GLY QA 4.800 . 4.800 4.239 4.187 4.326 . 0 0 "[ . 1 . 2]" 1
241 1 20 CYS HB3 1 22 VAL H 3.930 . 3.930 3.058 2.973 3.207 . 0 0 "[ . 1 . 2]" 1
242 1 20 CYS HB3 1 22 VAL HB 4.630 . 4.630 4.545 4.360 4.845 0.215 1 0 "[ . 1 . 2]" 1
243 1 20 CYS HB3 1 31 CYS H 4.610 . 4.610 4.013 3.881 4.131 . 0 0 "[ . 1 . 2]" 1
244 1 20 CYS HB3 1 31 CYS HA 4.550 . 4.550 4.155 4.086 4.211 . 0 0 "[ . 1 . 2]" 1
245 1 20 CYS HB3 1 31 CYS HB2 4.060 . 4.060 3.620 3.350 3.717 . 0 0 "[ . 1 . 2]" 1
246 1 20 CYS HB3 1 31 CYS HB3 4.140 . 4.140 1.975 1.750 2.072 0.050 1 0 "[ . 1 . 2]" 1
247 1 20 CYS HB3 1 33 ARG H 4.370 . 4.370 3.176 2.971 3.394 . 0 0 "[ . 1 . 2]" 1
248 1 20 CYS HB3 1 37 CYS HB2 4.160 . 4.160 3.533 3.466 3.610 . 0 0 "[ . 1 . 2]" 1
249 1 20 CYS HB3 1 37 CYS HB3 4.670 . 4.670 4.618 4.527 4.715 0.045 19 0 "[ . 1 . 2]" 1
250 1 21 GLY H 1 22 VAL H 3.880 . 3.880 2.738 2.626 2.941 . 0 0 "[ . 1 . 2]" 1
251 1 21 GLY H 1 22 VAL QG 4.610 . 4.610 4.270 3.872 4.353 . 0 0 "[ . 1 . 2]" 1
252 1 21 GLY H 1 30 PRO HB2 4.660 . 4.660 4.128 3.974 4.234 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLY H 1 30 PRO HB3 4.660 . 4.660 4.711 4.669 4.733 0.073 12 0 "[ . 1 . 2]" 1
254 1 21 GLY H 1 31 CYS H 4.430 . 4.430 2.770 2.676 2.940 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLY H 1 31 CYS HA 4.920 . 4.920 4.502 4.393 4.596 . 0 0 "[ . 1 . 2]" 1
256 1 21 GLY H 1 31 CYS HB2 4.050 . 4.050 4.093 4.067 4.122 0.072 8 0 "[ . 1 . 2]" 1
257 1 21 GLY H 1 31 CYS HB3 3.820 . 3.820 2.631 2.519 2.747 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLY H 1 32 THR HA 4.710 . 4.710 3.778 3.677 3.882 . 0 0 "[ . 1 . 2]" 1
259 1 21 GLY H 1 32 THR MG 5.500 . 5.500 5.142 4.861 5.477 . 0 0 "[ . 1 . 2]" 1
260 1 21 GLY H 1 33 ARG H 5.290 . 5.290 4.641 4.497 4.733 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLY QA 1 22 VAL QG 5.430 . 5.430 3.850 3.773 3.918 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLY QA 1 30 PRO HA 4.790 . 4.790 4.032 3.890 4.146 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLY QA 1 30 PRO HB2 3.820 . 3.820 3.287 3.204 3.407 . 0 0 "[ . 1 . 2]" 1
264 1 21 GLY QA 1 30 PRO HB3 3.750 . 3.750 3.056 2.961 3.127 . 0 0 "[ . 1 . 2]" 1
265 1 21 GLY QA 1 30 PRO HG2 5.010 . 5.010 5.020 4.891 5.056 0.046 12 0 "[ . 1 . 2]" 1
266 1 21 GLY QA 1 31 CYS H 4.910 . 4.910 2.710 2.581 2.860 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLY QA 1 31 CYS HB2 4.940 . 4.940 4.545 4.450 4.638 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLY QA 1 31 CYS HB3 5.010 . 5.010 3.754 3.596 3.893 . 0 0 "[ . 1 . 2]" 1
269 1 21 GLY QA 1 48 VAL QG 3.950 . 3.950 2.718 2.501 2.989 . 0 0 "[ . 1 . 2]" 1
270 1 22 VAL H 1 22 VAL HB 2.730 . 2.730 2.704 2.448 2.759 0.029 2 0 "[ . 1 . 2]" 1
271 1 22 VAL H 1 22 VAL QG . . 3.420 2.331 1.801 2.474 . 0 0 "[ . 1 . 2]" 1
272 1 22 VAL H 1 30 PRO HA 4.520 . 4.520 4.488 4.241 4.574 0.054 13 0 "[ . 1 . 2]" 1
273 1 22 VAL H 1 31 CYS H 3.930 . 3.930 3.349 2.989 3.544 . 0 0 "[ . 1 . 2]" 1
274 1 22 VAL H 1 31 CYS HA 4.680 . 4.680 4.829 4.779 4.866 0.186 2 0 "[ . 1 . 2]" 1
275 1 22 VAL H 1 31 CYS HB2 3.700 . 3.700 3.031 2.853 3.099 . 0 0 "[ . 1 . 2]" 1
276 1 22 VAL H 1 31 CYS HB3 3.580 . 3.580 2.156 2.081 2.351 . 0 0 "[ . 1 . 2]" 1
277 1 22 VAL H 1 40 HIS HE1 5.090 . 5.090 4.617 4.329 4.827 . 0 0 "[ . 1 . 2]" 1
278 1 22 VAL H 1 48 VAL QG 4.310 . 4.310 3.076 2.453 3.372 . 0 0 "[ . 1 . 2]" 1
279 1 22 VAL HA 1 22 VAL QG 3.240 . 3.240 2.189 2.168 2.320 . 0 0 "[ . 1 . 2]" 1
280 1 22 VAL HA 1 23 ILE H 2.760 . 2.760 1.879 1.834 1.915 . 0 0 "[ . 1 . 2]" 1
281 1 22 VAL HA 1 23 ILE HA 4.770 . 4.770 4.073 4.022 4.186 . 0 0 "[ . 1 . 2]" 1
282 1 22 VAL HA 1 23 ILE HB 4.410 . 4.410 4.211 4.135 4.294 . 0 0 "[ . 1 . 2]" 1
283 1 22 VAL HA 1 23 ILE HG12 4.590 . 4.590 4.650 4.618 4.685 0.095 19 0 "[ . 1 . 2]" 1
284 1 22 VAL HA 1 23 ILE HG13 4.660 . 4.660 3.747 3.594 3.898 . 0 0 "[ . 1 . 2]" 1
285 1 22 VAL HA 1 23 ILE MG 4.990 . 4.990 5.154 5.125 5.193 0.203 2 0 "[ . 1 . 2]" 1
286 1 22 VAL HA 1 44 GLN QB 5.500 . 5.500 5.327 5.066 5.677 0.177 1 0 "[ . 1 . 2]" 1
287 1 22 VAL HA 1 48 VAL HB 4.810 . 4.810 3.217 2.935 3.589 . 0 0 "[ . 1 . 2]" 1
288 1 22 VAL HA 1 48 VAL QG . . 3.500 2.464 1.822 2.631 . 0 0 "[ . 1 . 2]" 1
289 1 22 VAL HB 1 31 CYS HB2 4.080 2.600 4.080 3.460 3.117 4.261 0.181 1 0 "[ . 1 . 2]" 1
290 1 22 VAL HB 1 31 CYS HB3 4.230 . 4.230 3.556 3.370 4.253 0.023 1 0 "[ . 1 . 2]" 1
291 1 22 VAL HB 1 40 HIS HE1 4.080 . 4.080 3.079 2.750 4.414 0.334 1 0 "[ . 1 . 2]" 1
292 1 22 VAL HB 1 48 VAL QG 4.670 . 4.670 3.757 1.842 3.953 . 0 0 "[ . 1 . 2]" 1
293 1 22 VAL QG 1 23 ILE H 3.520 . 3.520 2.871 2.656 3.083 . 0 0 "[ . 1 . 2]" 1
294 1 22 VAL QG 1 23 ILE HA . . 5.040 4.035 3.954 4.095 . 0 0 "[ . 1 . 2]" 1
295 1 22 VAL QG 1 23 ILE HB 5.310 . 5.310 4.197 4.046 4.380 . 0 0 "[ . 1 . 2]" 1
296 1 22 VAL QG 1 23 ILE HG12 5.500 . 5.500 5.119 5.082 5.155 . 0 0 "[ . 1 . 2]" 1
297 1 22 VAL QG 1 24 ASP H 5.500 . 5.500 4.534 4.249 4.819 . 0 0 "[ . 1 . 2]" 1
298 1 22 VAL QG 1 24 ASP HA 5.120 . 5.120 3.650 3.184 4.039 . 0 0 "[ . 1 . 2]" 1
299 1 22 VAL QG 1 30 PRO HA 5.500 . 5.500 4.957 4.512 5.123 . 0 0 "[ . 1 . 2]" 1
300 1 22 VAL QG 1 40 HIS HA . . 4.580 4.307 4.063 4.541 . 0 0 "[ . 1 . 2]" 1
301 1 22 VAL QG 1 40 HIS HB2 4.230 . 4.230 3.326 3.050 3.451 . 0 0 "[ . 1 . 2]" 1
302 1 22 VAL QG 1 40 HIS HB3 3.470 . 3.470 2.660 2.384 2.985 . 0 0 "[ . 1 . 2]" 1
303 1 22 VAL QG 1 40 HIS HD2 3.460 . 3.460 3.370 3.100 3.497 0.037 1 0 "[ . 1 . 2]" 1
304 1 22 VAL QG 1 40 HIS HE1 5.040 . 5.040 3.204 1.927 3.380 . 0 0 "[ . 1 . 2]" 1
305 1 22 VAL QG 1 41 SER H 5.180 . 5.180 4.733 4.429 5.054 . 0 0 "[ . 1 . 2]" 1
306 1 22 VAL QG 1 44 GLN H 4.620 . 4.620 4.523 4.395 4.660 0.040 1 0 "[ . 1 . 2]" 1
307 1 22 VAL QG 1 44 GLN HA . . 4.410 3.687 3.447 3.782 . 0 0 "[ . 1 . 2]" 1
308 1 22 VAL QG 1 44 GLN QB . . 3.620 2.269 2.180 2.382 . 0 0 "[ . 1 . 2]" 1
309 1 22 VAL QG 1 44 GLN HE21 . . 4.650 2.808 2.304 3.606 . 0 0 "[ . 1 . 2]" 1
310 1 22 VAL QG 1 44 GLN HE22 4.570 . 4.570 3.611 3.068 4.463 . 0 0 "[ . 1 . 2]" 1
311 1 22 VAL QG 1 44 GLN HG2 4.990 . 4.990 4.475 4.359 4.631 . 0 0 "[ . 1 . 2]" 1
312 1 22 VAL QG 1 44 GLN HG3 . . 4.980 4.298 4.098 4.526 . 0 0 "[ . 1 . 2]" 1
313 1 22 VAL QG 1 45 ARG H 3.950 . 3.950 3.536 3.380 3.883 . 0 0 "[ . 1 . 2]" 1
314 1 22 VAL QG 1 45 ARG HA 3.560 . 3.560 2.197 2.013 2.696 . 0 0 "[ . 1 . 2]" 1
315 1 22 VAL QG 1 45 ARG HD2 . . 4.550 3.317 2.965 3.693 . 0 0 "[ . 1 . 2]" 1
316 1 22 VAL QG 1 45 ARG HD3 5.440 . 5.440 4.319 4.027 4.763 . 0 0 "[ . 1 . 2]" 1
317 1 22 VAL QG 1 45 ARG HE 5.010 . 5.010 4.548 4.188 4.715 . 0 0 "[ . 1 . 2]" 1
318 1 22 VAL QG 1 45 ARG HG2 . . 4.270 3.987 3.690 4.280 0.010 1 0 "[ . 1 . 2]" 1
319 1 22 VAL QG 1 45 ARG HG3 4.890 . 4.890 2.601 2.293 2.924 . 0 0 "[ . 1 . 2]" 1
320 1 22 VAL QG 1 46 ARG H 4.890 . 4.890 4.749 4.615 5.014 0.124 1 0 "[ . 1 . 2]" 1
321 1 22 VAL QG 1 47 ALA H 5.500 . 5.500 4.675 4.537 4.880 . 0 0 "[ . 1 . 2]" 1
322 1 22 VAL QG 1 47 ALA MB . . 5.310 3.813 3.618 4.008 . 0 0 "[ . 1 . 2]" 1
323 1 22 VAL QG 1 48 VAL H 4.620 . 4.620 3.493 3.233 3.886 . 0 0 "[ . 1 . 2]" 1
324 1 22 VAL QG 1 48 VAL QG . . 3.740 1.847 1.754 2.440 0.046 11 0 "[ . 1 . 2]" 1
325 1 23 ILE H 1 23 ILE HB 3.110 . 3.110 2.361 2.294 2.405 . 0 0 "[ . 1 . 2]" 1
326 1 23 ILE H 1 23 ILE MD 4.130 . 4.130 3.821 3.726 3.914 . 0 0 "[ . 1 . 2]" 1
327 1 23 ILE H 1 23 ILE HG12 3.700 . 3.700 3.233 3.153 3.318 . 0 0 "[ . 1 . 2]" 1
328 1 23 ILE H 1 23 ILE HG13 3.630 . 3.630 2.315 2.177 2.416 . 0 0 "[ . 1 . 2]" 1
329 1 23 ILE H 1 23 ILE MG 4.020 . 4.020 3.663 3.625 3.699 . 0 0 "[ . 1 . 2]" 1
330 1 23 ILE H 1 24 ASP H 4.900 . 4.900 4.397 4.344 4.459 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE H 1 48 VAL HB 4.480 . 4.480 4.512 4.402 4.586 0.106 11 0 "[ . 1 . 2]" 1
332 1 23 ILE H 1 48 VAL QG . . 4.330 3.447 2.925 3.637 . 0 0 "[ . 1 . 2]" 1
333 1 23 ILE HA 1 23 ILE MD 3.610 . 3.610 3.579 3.549 3.664 0.054 3 0 "[ . 1 . 2]" 1
334 1 23 ILE HA 1 23 ILE HG12 4.060 . 4.060 2.173 2.100 2.355 . 0 0 "[ . 1 . 2]" 1
335 1 23 ILE HA 1 23 ILE HG13 4.030 . 4.030 3.023 2.883 3.135 . 0 0 "[ . 1 . 2]" 1
336 1 23 ILE HA 1 23 ILE MG 3.440 . 3.440 2.453 2.291 2.499 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE HA 1 24 ASP H 2.910 . 2.910 1.998 1.899 2.064 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE HA 1 24 ASP HA 4.770 . 4.770 4.152 4.030 4.246 . 0 0 "[ . 1 . 2]" 1
339 1 23 ILE HA 1 24 ASP HB2 4.860 . 4.860 3.947 3.558 5.120 0.260 3 0 "[ . 1 . 2]" 1
340 1 23 ILE HA 1 24 ASP HB3 4.420 . 4.420 4.434 4.337 4.516 0.096 7 0 "[ . 1 . 2]" 1
341 1 23 ILE HA 1 29 LYS H 5.020 . 5.020 4.076 3.879 4.257 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE HA 1 30 PRO HA 3.320 . 3.320 1.987 1.909 2.114 . 0 0 "[ . 1 . 2]" 1
343 1 23 ILE HA 1 30 PRO HB2 4.530 . 4.530 4.608 4.571 4.663 0.133 3 0 "[ . 1 . 2]" 1
344 1 23 ILE HA 1 40 HIS HE1 4.340 . 4.340 4.194 3.782 4.363 0.023 5 0 "[ . 1 . 2]" 1
345 1 23 ILE HB 1 24 ASP H 4.340 . 4.340 4.131 3.879 4.184 . 0 0 "[ . 1 . 2]" 1
346 1 23 ILE HB 1 30 PRO HA 4.950 . 4.950 4.446 4.305 4.524 . 0 0 "[ . 1 . 2]" 1
347 1 23 ILE MD 1 23 ILE MG 3.210 . 3.210 2.009 1.945 2.079 . 0 0 "[ . 1 . 2]" 1
348 1 23 ILE MD 1 24 ASP H 4.600 . 4.600 4.593 4.503 4.654 0.054 11 0 "[ . 1 . 2]" 1
349 1 23 ILE MD 1 28 LYS HA 5.230 . 5.230 4.850 4.530 5.080 . 0 0 "[ . 1 . 2]" 1
350 1 23 ILE MD 1 29 LYS HA 5.010 . 5.010 3.639 3.194 4.033 . 0 0 "[ . 1 . 2]" 1
351 1 23 ILE MD 1 30 PRO HA 3.860 . 3.860 3.610 3.532 3.721 . 0 0 "[ . 1 . 2]" 1
352 1 23 ILE MD 1 30 PRO HB2 4.610 . 4.610 4.725 4.674 4.804 0.194 2 0 "[ . 1 . 2]" 1
353 1 23 ILE MD 1 30 PRO HD2 4.930 . 4.930 4.766 4.257 4.965 0.035 3 0 "[ . 1 . 2]" 1
354 1 23 ILE HG12 1 23 ILE MG 3.620 . 3.620 2.617 2.535 2.687 . 0 0 "[ . 1 . 2]" 1
355 1 23 ILE HG12 1 24 ASP H 5.310 . 5.310 3.854 3.688 3.984 . 0 0 "[ . 1 . 2]" 1
356 1 23 ILE HG12 1 30 PRO HA 3.840 . 3.840 2.001 1.906 2.087 . 0 0 "[ . 1 . 2]" 1
357 1 23 ILE HG13 1 24 ASP H 5.230 . 5.230 4.866 4.731 4.991 . 0 0 "[ . 1 . 2]" 1
358 1 23 ILE HG13 1 30 PRO HA 4.610 . 4.610 3.351 3.042 3.464 . 0 0 "[ . 1 . 2]" 1
359 1 23 ILE HG13 1 48 VAL QG 3.970 . 3.970 3.942 3.735 4.084 0.114 11 0 "[ . 1 . 2]" 1
360 1 23 ILE MG 1 24 ASP H 3.810 . 3.810 2.466 2.116 2.576 . 0 0 "[ . 1 . 2]" 1
361 1 23 ILE MG 1 24 ASP HA 4.830 . 4.830 4.078 3.618 4.181 . 0 0 "[ . 1 . 2]" 1
362 1 23 ILE MG 1 24 ASP HB2 5.480 . 5.480 4.443 4.244 4.639 . 0 0 "[ . 1 . 2]" 1
363 1 23 ILE MG 1 24 ASP HB3 4.310 . 4.310 4.096 3.888 4.582 0.272 3 0 "[ . 1 . 2]" 1
364 1 23 ILE MG 1 25 LEU H 5.500 . 5.500 4.601 4.284 4.684 . 0 0 "[ . 1 . 2]" 1
365 1 23 ILE MG 1 25 LEU HB2 5.500 . 5.500 5.585 5.505 5.653 0.153 8 0 "[ . 1 . 2]" 1
366 1 23 ILE MG 1 25 LEU MD1 4.920 . 4.920 4.525 4.290 4.803 . 0 0 "[ . 1 . 2]" 1
367 1 23 ILE MG 1 25 LEU MD2 4.340 . 4.340 2.996 2.730 3.270 . 0 0 "[ . 1 . 2]" 1
368 1 23 ILE MG 1 28 LYS H 4.170 . 4.170 3.903 3.710 4.091 . 0 0 "[ . 1 . 2]" 1
369 1 23 ILE MG 1 28 LYS HA 3.360 . 3.360 2.551 2.257 2.735 . 0 0 "[ . 1 . 2]" 1
370 1 23 ILE MG 1 28 LYS HB2 4.880 . 4.880 4.759 4.399 4.973 0.093 2 0 "[ . 1 . 2]" 1
371 1 23 ILE MG 1 28 LYS HB3 4.350 . 4.350 3.795 3.335 3.995 . 0 0 "[ . 1 . 2]" 1
372 1 23 ILE MG 1 28 LYS HD2 5.020 . 5.020 2.648 2.146 4.541 . 0 0 "[ . 1 . 2]" 1
373 1 23 ILE MG 1 28 LYS HD3 5.350 . 5.350 3.811 2.469 5.254 . 0 0 "[ . 1 . 2]" 1
374 1 23 ILE MG 1 28 LYS HG2 5.020 . 5.020 4.276 2.890 4.621 . 0 0 "[ . 1 . 2]" 1
375 1 23 ILE MG 1 28 LYS HG3 5.260 . 5.260 4.831 4.229 5.180 . 0 0 "[ . 1 . 2]" 1
376 1 23 ILE MG 1 29 LYS H 4.250 . 4.250 2.775 2.603 2.956 . 0 0 "[ . 1 . 2]" 1
377 1 23 ILE MG 1 29 LYS HA 4.430 . 4.430 3.131 2.800 3.406 . 0 0 "[ . 1 . 2]" 1
378 1 23 ILE MG 1 30 PRO HA 4.780 . 4.780 3.465 3.288 3.624 . 0 0 "[ . 1 . 2]" 1
379 1 24 ASP H 1 24 ASP HB2 3.500 . 3.500 2.411 2.137 3.369 . 0 0 "[ . 1 . 2]" 1
380 1 24 ASP H 1 24 ASP HB3 3.310 . 3.310 2.507 2.381 3.079 . 0 0 "[ . 1 . 2]" 1
381 1 24 ASP H 1 25 LEU H 4.790 . 4.790 4.443 4.360 4.508 . 0 0 "[ . 1 . 2]" 1
382 1 24 ASP H 1 28 LYS H 4.680 . 4.680 3.740 3.630 3.892 . 0 0 "[ . 1 . 2]" 1
383 1 24 ASP H 1 28 LYS HA 5.330 . 5.330 3.546 3.354 3.701 . 0 0 "[ . 1 . 2]" 1
384 1 24 ASP H 1 29 LYS HA 4.640 . 4.640 4.565 4.369 4.689 0.049 3 0 "[ . 1 . 2]" 1
385 1 24 ASP H 1 29 LYS HB3 5.230 . 5.230 5.370 5.315 5.434 0.204 9 0 "[ . 1 . 2]" 1
386 1 24 ASP H 1 30 PRO HA 3.880 . 3.880 3.369 3.243 3.600 . 0 0 "[ . 1 . 2]" 1
387 1 24 ASP HA 1 25 LEU H 2.790 . 2.790 2.138 2.066 2.186 . 0 0 "[ . 1 . 2]" 1
388 1 24 ASP HA 1 25 LEU HA 4.490 . 4.490 4.294 4.221 4.384 . 0 0 "[ . 1 . 2]" 1
389 1 24 ASP HA 1 25 LEU HB2 4.090 . 4.090 4.050 3.878 4.124 0.034 13 0 "[ . 1 . 2]" 1
390 1 24 ASP HA 1 25 LEU HB3 5.500 . 5.500 5.472 5.315 5.512 0.012 1 0 "[ . 1 . 2]" 1
391 1 24 ASP HA 1 25 LEU MD2 4.370 . 4.370 3.442 3.242 3.562 . 0 0 "[ . 1 . 2]" 1
392 1 24 ASP HA 1 25 LEU HG 5.500 . 5.500 5.549 5.513 5.584 0.084 10 0 "[ . 1 . 2]" 1
393 1 24 ASP HA 1 26 ASP H 4.270 . 4.270 3.642 3.310 3.860 . 0 0 "[ . 1 . 2]" 1
394 1 24 ASP HB2 1 25 LEU H 4.470 . 4.470 4.283 3.046 4.466 . 0 0 "[ . 1 . 2]" 1
395 1 24 ASP HB2 1 26 ASP H 4.670 . 4.670 4.365 1.934 4.677 0.007 14 0 "[ . 1 . 2]" 1
396 1 24 ASP HB2 1 27 THR H 4.060 . 4.060 3.983 2.392 4.142 0.082 20 0 "[ . 1 . 2]" 1
397 1 24 ASP HB2 1 27 THR MG 4.730 . 4.730 4.667 4.154 4.799 0.069 17 0 "[ . 1 . 2]" 1
398 1 24 ASP HB2 1 28 LYS H 3.970 . 3.970 4.036 3.256 4.115 0.145 11 0 "[ . 1 . 2]" 1
399 1 24 ASP HB2 1 28 LYS HA 5.090 . 5.090 4.983 4.606 5.124 0.034 19 0 "[ . 1 . 2]" 1
400 1 24 ASP HB2 1 29 LYS H 4.090 . 4.090 3.833 3.560 4.159 0.069 3 0 "[ . 1 . 2]" 1
401 1 24 ASP HB2 1 40 HIS HE1 5.220 . 5.220 2.796 2.453 4.372 . 0 0 "[ . 1 . 2]" 1
402 1 24 ASP HB3 1 25 LEU H 4.230 . 4.230 3.973 3.784 4.099 . 0 0 "[ . 1 . 2]" 1
403 1 24 ASP HB3 1 26 ASP H 4.880 . 4.880 3.480 3.137 3.659 . 0 0 "[ . 1 . 2]" 1
404 1 24 ASP HB3 1 27 THR MG 5.030 . 5.030 3.995 3.405 5.210 0.180 3 0 "[ . 1 . 2]" 1
405 1 24 ASP HB3 1 28 LYS H 4.550 . 4.550 2.522 2.341 4.631 0.081 3 0 "[ . 1 . 2]" 1
406 1 24 ASP HB3 1 40 HIS HE1 4.170 . 4.170 4.117 2.621 4.297 0.127 9 0 "[ . 1 . 2]" 1
407 1 25 LEU H 1 25 LEU HB2 2.940 . 2.940 1.982 1.881 2.063 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU H 1 25 LEU HB3 3.570 . 3.570 3.359 3.257 3.418 . 0 0 "[ . 1 . 2]" 1
409 1 25 LEU H 1 25 LEU MD1 4.500 . 4.500 4.176 4.061 4.259 . 0 0 "[ . 1 . 2]" 1
410 1 25 LEU H 1 25 LEU MD2 4.340 . 4.340 2.579 2.421 2.716 . 0 0 "[ . 1 . 2]" 1
411 1 25 LEU H 1 25 LEU HG 3.740 . 3.740 3.812 3.790 3.840 0.100 5 0 "[ . 1 . 2]" 1
412 1 25 LEU H 1 26 ASP H 3.690 . 3.690 2.574 2.419 2.688 . 0 0 "[ . 1 . 2]" 1
413 1 25 LEU H 1 27 THR H 4.760 . 4.760 4.402 4.152 4.641 . 0 0 "[ . 1 . 2]" 1
414 1 25 LEU HA 1 25 LEU MD2 3.060 . 3.060 2.013 1.900 2.218 . 0 0 "[ . 1 . 2]" 1
415 1 25 LEU HA 1 25 LEU HG 4.060 . 4.060 3.633 3.577 3.715 . 0 0 "[ . 1 . 2]" 1
416 1 25 LEU HA 1 26 ASP HA 5.500 . 5.500 4.588 4.492 4.737 . 0 0 "[ . 1 . 2]" 1
417 1 25 LEU HA 1 28 LYS H 4.310 . 4.310 3.736 3.539 3.926 . 0 0 "[ . 1 . 2]" 1
418 1 25 LEU HA 1 28 LYS HA 5.480 . 5.480 3.664 3.410 3.843 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU HA 1 28 LYS HD3 3.370 . 3.370 2.512 2.011 3.547 0.177 11 0 "[ . 1 . 2]" 1
420 1 25 LEU HA 1 28 LYS HG3 5.460 . 5.460 3.943 2.263 4.235 . 0 0 "[ . 1 . 2]" 1
421 1 25 LEU HB2 1 26 ASP H 3.950 . 3.950 3.498 3.300 3.717 . 0 0 "[ . 1 . 2]" 1
422 1 25 LEU HB3 1 26 ASP H 4.140 . 4.140 3.870 3.693 4.021 . 0 0 "[ . 1 . 2]" 1
423 1 25 LEU HB3 1 26 ASP HA 4.710 . 4.710 4.361 4.232 4.463 . 0 0 "[ . 1 . 2]" 1
424 1 25 LEU MD1 1 26 ASP H 5.450 . 5.450 4.944 4.853 5.077 . 0 0 "[ . 1 . 2]" 1
425 1 25 LEU MD1 1 28 LYS HE3 4.600 . 4.600 3.802 2.787 4.456 . 0 0 "[ . 1 . 2]" 1
426 1 25 LEU MD1 1 28 LYS HG2 4.390 . 4.390 3.685 3.285 3.982 . 0 0 "[ . 1 . 2]" 1
427 1 25 LEU MD1 1 28 LYS HG3 4.480 . 4.480 4.052 3.731 4.463 . 0 0 "[ . 1 . 2]" 1
428 1 25 LEU MD2 1 26 ASP H 5.260 . 5.260 4.361 4.182 4.413 . 0 0 "[ . 1 . 2]" 1
429 1 25 LEU MD2 1 28 LYS HE3 4.020 . 4.020 3.773 2.866 4.079 0.059 11 0 "[ . 1 . 2]" 1
430 1 25 LEU MD2 1 28 LYS HG2 3.930 . 3.930 3.935 2.891 4.030 0.100 8 0 "[ . 1 . 2]" 1
431 1 26 ASP H 1 26 ASP HB2 3.280 . 3.280 2.425 2.225 2.775 . 0 0 "[ . 1 . 2]" 1
432 1 26 ASP H 1 26 ASP HB3 3.450 . 3.450 3.233 2.447 3.558 0.108 6 0 "[ . 1 . 2]" 1
433 1 26 ASP H 1 27 THR H 3.070 . 3.070 2.304 2.130 2.456 . 0 0 "[ . 1 . 2]" 1
434 1 26 ASP H 1 27 THR MG 4.410 . 4.410 4.351 4.072 4.486 0.076 3 0 "[ . 1 . 2]" 1
435 1 26 ASP HA 1 27 THR MG 4.760 . 4.760 4.619 4.147 4.778 0.018 19 0 "[ . 1 . 2]" 1
436 1 26 ASP HB2 1 27 THR H 3.690 . 3.690 2.768 2.235 3.533 . 0 0 "[ . 1 . 2]" 1
437 1 26 ASP HB2 1 27 THR HA 4.780 . 4.780 4.705 4.332 5.067 0.287 18 0 "[ . 1 . 2]" 1
438 1 26 ASP HB2 1 27 THR MG 4.330 . 4.330 3.401 2.838 4.340 0.010 18 0 "[ . 1 . 2]" 1
439 1 26 ASP HB3 1 27 THR H 3.660 . 3.660 2.977 2.013 3.606 . 0 0 "[ . 1 . 2]" 1
440 1 26 ASP HB3 1 27 THR HA 4.870 . 4.870 4.140 3.568 4.544 . 0 0 "[ . 1 . 2]" 1
441 1 26 ASP HB3 1 27 THR MG 4.040 . 4.040 3.029 2.520 3.641 . 0 0 "[ . 1 . 2]" 1
442 1 27 THR H 1 27 THR MG 3.390 . 3.390 2.632 2.406 2.878 . 0 0 "[ . 1 . 2]" 1
443 1 27 THR H 1 28 LYS HG2 5.500 . 5.500 4.390 4.136 5.092 . 0 0 "[ . 1 . 2]" 1
444 1 27 THR HA 1 27 THR MG 3.090 . 3.090 2.266 2.204 2.384 . 0 0 "[ . 1 . 2]" 1
445 1 27 THR HA 1 28 LYS H 3.450 . 3.450 3.451 3.386 3.474 0.024 16 0 "[ . 1 . 2]" 1
446 1 27 THR HA 1 28 LYS HA 5.410 . 5.410 5.202 5.094 5.284 . 0 0 "[ . 1 . 2]" 1
447 1 27 THR HA 1 29 LYS H 4.930 . 4.930 4.995 4.825 5.059 0.129 2 0 "[ . 1 . 2]" 1
448 1 27 THR HB 1 28 LYS H 4.430 . 4.430 3.802 3.639 4.087 . 0 0 "[ . 1 . 2]" 1
449 1 27 THR HB 1 29 LYS H 4.150 . 4.150 4.038 3.854 4.211 0.061 3 0 "[ . 1 . 2]" 1
450 1 27 THR HB 1 29 LYS HB3 4.960 . 4.960 3.694 3.415 4.182 . 0 0 "[ . 1 . 2]" 1
451 1 27 THR HB 1 29 LYS HD2 4.710 . 4.710 4.296 3.829 4.677 . 0 0 "[ . 1 . 2]" 1
452 1 27 THR HB 1 29 LYS QE 4.310 . 4.310 2.811 1.983 4.336 0.026 3 0 "[ . 1 . 2]" 1
453 1 27 THR HB 1 29 LYS HG2 4.540 . 4.540 2.464 2.122 2.832 . 0 0 "[ . 1 . 2]" 1
454 1 27 THR HB 1 29 LYS HG3 4.390 . 4.390 3.976 2.430 4.515 0.125 3 0 "[ . 1 . 2]" 1
455 1 27 THR MG 1 29 LYS H 5.100 . 5.100 4.935 4.633 5.068 . 0 0 "[ . 1 . 2]" 1
456 1 27 THR MG 1 29 LYS QE 5.030 . 5.030 2.744 2.244 4.003 . 0 0 "[ . 1 . 2]" 1
457 1 28 LYS H 1 28 LYS HD2 5.210 . 5.210 3.709 3.270 5.127 . 0 0 "[ . 1 . 2]" 1
458 1 28 LYS H 1 28 LYS HG2 3.810 . 3.810 2.925 2.736 3.276 . 0 0 "[ . 1 . 2]" 1
459 1 28 LYS H 1 28 LYS HG3 5.210 . 5.210 4.331 2.713 4.525 . 0 0 "[ . 1 . 2]" 1
460 1 28 LYS H 1 29 LYS H 3.260 . 3.260 2.427 2.315 2.501 . 0 0 "[ . 1 . 2]" 1
461 1 28 LYS HA 1 28 LYS HD2 4.060 . 4.060 2.179 1.941 4.182 0.122 11 0 "[ . 1 . 2]" 1
462 1 28 LYS HA 1 28 LYS HD3 4.410 . 4.410 3.483 2.071 4.437 0.027 11 0 "[ . 1 . 2]" 1
463 1 28 LYS HA 1 28 LYS HE2 4.620 . 4.620 3.547 2.901 4.375 . 0 0 "[ . 1 . 2]" 1
464 1 28 LYS HA 1 28 LYS HG2 3.690 . 3.690 2.658 2.055 2.887 . 0 0 "[ . 1 . 2]" 1
465 1 28 LYS HA 1 28 LYS HG3 4.080 . 4.080 3.563 2.609 3.675 . 0 0 "[ . 1 . 2]" 1
466 1 28 LYS HB2 1 28 LYS HE2 4.800 . 4.800 3.960 3.595 4.965 0.165 16 0 "[ . 1 . 2]" 1
467 1 28 LYS HB2 1 29 LYS H 4.740 . 4.740 4.275 4.166 4.426 . 0 0 "[ . 1 . 2]" 1
468 1 28 LYS HB3 1 28 LYS HE2 4.600 . 4.600 2.527 2.000 4.553 . 0 0 "[ . 1 . 2]" 1
469 1 28 LYS HB3 1 29 LYS H 4.640 . 4.640 4.168 4.111 4.200 . 0 0 "[ . 1 . 2]" 1
470 1 28 LYS HG3 1 29 LYS H 5.500 . 5.500 5.577 4.472 5.680 0.180 8 0 "[ . 1 . 2]" 1
471 1 29 LYS H 1 29 LYS HB2 3.810 . 3.810 3.833 3.761 3.876 0.066 9 0 "[ . 1 . 2]" 1
472 1 29 LYS H 1 29 LYS HB3 3.430 . 3.430 2.970 2.887 3.154 . 0 0 "[ . 1 . 2]" 1
473 1 29 LYS H 1 29 LYS HG3 4.060 . 4.060 3.187 2.290 3.485 . 0 0 "[ . 1 . 2]" 1
474 1 29 LYS H 1 30 PRO HD2 4.800 . 4.800 4.877 4.810 4.911 0.111 20 0 "[ . 1 . 2]" 1
475 1 29 LYS H 1 30 PRO HD3 5.300 . 5.300 4.741 4.657 4.816 . 0 0 "[ . 1 . 2]" 1
476 1 29 LYS HA 1 29 LYS HD2 4.530 . 4.530 4.548 4.142 4.611 0.081 15 0 "[ . 1 . 2]" 1
477 1 29 LYS HA 1 29 LYS HG3 3.710 . 3.710 3.664 3.601 3.752 0.042 5 0 "[ . 1 . 2]" 1
478 1 29 LYS HA 1 30 PRO HA 4.590 . 4.590 4.387 4.276 4.519 . 0 0 "[ . 1 . 2]" 1
479 1 29 LYS HA 1 30 PRO HB2 5.410 . 5.410 5.500 5.470 5.524 0.114 18 0 "[ . 1 . 2]" 1
480 1 29 LYS HA 1 30 PRO HD2 2.970 . 2.970 2.940 2.825 3.011 0.041 5 0 "[ . 1 . 2]" 1
481 1 29 LYS HA 1 30 PRO HD3 3.150 . 3.150 2.190 2.084 2.335 . 0 0 "[ . 1 . 2]" 1
482 1 29 LYS HA 1 30 PRO HG3 4.480 . 4.480 4.405 4.275 4.533 0.053 1 0 "[ . 1 . 2]" 1
483 1 29 LYS HB2 1 30 PRO HD2 3.840 . 3.840 2.146 2.049 2.218 . 0 0 "[ . 1 . 2]" 1
484 1 29 LYS HB2 1 30 PRO HD3 3.610 . 3.610 2.945 2.747 3.088 . 0 0 "[ . 1 . 2]" 1
485 1 29 LYS HD2 1 30 PRO HD2 5.290 . 5.290 3.563 3.291 3.948 . 0 0 "[ . 1 . 2]" 1
486 1 29 LYS HD2 1 30 PRO HD3 4.960 . 4.960 4.955 4.573 5.025 0.065 5 0 "[ . 1 . 2]" 1
487 1 29 LYS HG3 1 30 PRO HD2 5.100 . 5.100 3.286 2.942 4.466 . 0 0 "[ . 1 . 2]" 1
488 1 29 LYS HG3 1 30 PRO HD3 4.920 . 4.920 4.330 4.113 5.004 0.084 9 0 "[ . 1 . 2]" 1
489 1 30 PRO HA 1 31 CYS H 2.910 . 2.910 2.544 2.318 2.755 . 0 0 "[ . 1 . 2]" 1
490 1 30 PRO HA 1 31 CYS HA 4.440 . 4.440 3.989 3.847 4.134 . 0 0 "[ . 1 . 2]" 1
491 1 30 PRO HA 1 31 CYS HB2 4.040 . 4.040 3.388 3.293 3.559 . 0 0 "[ . 1 . 2]" 1
492 1 30 PRO HA 1 31 CYS HB3 4.830 . 4.830 4.289 4.136 4.495 . 0 0 "[ . 1 . 2]" 1
493 1 30 PRO HA 1 32 THR H 5.210 . 5.210 5.312 5.040 5.439 0.229 4 0 "[ . 1 . 2]" 1
494 1 30 PRO HA 1 40 HIS HE1 5.080 . 5.080 5.128 4.962 5.212 0.132 1 0 "[ . 1 . 2]" 1
495 1 30 PRO HB2 1 31 CYS H 4.300 . 4.300 1.941 1.748 2.460 0.052 17 0 "[ . 1 . 2]" 1
496 1 30 PRO HB3 1 31 CYS H 3.580 . 3.580 2.761 2.646 2.875 . 0 0 "[ . 1 . 2]" 1
497 1 30 PRO HB3 1 31 CYS HB2 4.830 . 4.830 4.955 4.910 4.999 0.169 1 0 "[ . 1 . 2]" 1
498 1 30 PRO HG2 1 31 CYS H 5.330 . 5.330 4.051 3.823 4.554 . 0 0 "[ . 1 . 2]" 1
499 1 31 CYS H 1 31 CYS HB2 3.390 . 3.390 2.758 2.408 2.980 . 0 0 "[ . 1 . 2]" 1
500 1 31 CYS H 1 31 CYS HB3 3.500 . 3.500 2.604 2.512 2.760 . 0 0 "[ . 1 . 2]" 1
501 1 31 CYS H 1 32 THR H 3.660 . 3.660 3.630 3.330 3.777 0.117 1 0 "[ . 1 . 2]" 1
502 1 31 CYS H 1 32 THR HA 5.270 . 5.270 4.497 4.405 4.744 . 0 0 "[ . 1 . 2]" 1
503 1 31 CYS H 1 33 ARG H 4.990 . 4.990 5.121 5.086 5.193 0.203 6 0 "[ . 1 . 2]" 1
504 1 31 CYS HA 1 32 THR H 2.830 . 2.830 2.014 1.867 2.144 . 0 0 "[ . 1 . 2]" 1
505 1 31 CYS HA 1 32 THR HA 4.970 . 4.970 4.200 4.141 4.245 . 0 0 "[ . 1 . 2]" 1
506 1 31 CYS HA 1 32 THR MG 4.350 . 4.350 3.468 3.176 3.798 . 0 0 "[ . 1 . 2]" 1
507 1 31 CYS HA 1 33 ARG H 4.080 . 4.080 3.700 3.474 4.020 . 0 0 "[ . 1 . 2]" 1
508 1 31 CYS HB2 1 32 THR H 4.810 . 4.810 4.236 4.055 4.350 . 0 0 "[ . 1 . 2]" 1
509 1 31 CYS HB2 1 33 ARG H 5.110 . 5.110 4.848 4.558 5.116 0.006 15 0 "[ . 1 . 2]" 1
510 1 31 CYS HB2 1 40 HIS HE1 3.190 . 3.190 2.721 2.486 2.873 . 0 0 "[ . 1 . 2]" 1
511 1 31 CYS HB3 1 32 THR H 4.740 . 4.740 4.107 3.932 4.224 . 0 0 "[ . 1 . 2]" 1
512 1 31 CYS HB3 1 33 ARG H 4.950 . 4.950 3.955 3.818 4.046 . 0 0 "[ . 1 . 2]" 1
513 1 32 THR H 1 32 THR HB 4.200 . 4.200 3.196 2.825 3.349 . 0 0 "[ . 1 . 2]" 1
514 1 32 THR H 1 32 THR MG 3.760 . 3.760 1.971 1.868 2.051 . 0 0 "[ . 1 . 2]" 1
515 1 32 THR H 1 33 ARG H 3.820 . 3.820 3.059 2.728 3.384 . 0 0 "[ . 1 . 2]" 1
516 1 32 THR H 1 33 ARG HB2 5.380 . 5.380 4.939 4.708 5.288 . 0 0 "[ . 1 . 2]" 1
517 1 32 THR HA 1 32 THR MG 3.240 . 3.240 3.160 3.065 3.196 . 0 0 "[ . 1 . 2]" 1
518 1 32 THR HA 1 33 ARG HA 4.780 . 4.780 4.496 4.307 4.618 . 0 0 "[ . 1 . 2]" 1
519 1 32 THR HA 1 34 SER H 4.300 . 4.300 4.220 3.975 4.371 0.071 1 0 "[ . 1 . 2]" 1
520 1 32 THR HB 1 33 ARG H 4.940 . 4.940 4.502 4.294 4.577 . 0 0 "[ . 1 . 2]" 1
521 1 32 THR MG 1 33 ARG H 4.640 . 4.640 4.033 3.672 4.227 . 0 0 "[ . 1 . 2]" 1
522 1 32 THR MG 1 33 ARG HG2 5.110 . 5.110 4.957 4.554 5.128 0.018 5 0 "[ . 1 . 2]" 1
523 1 33 ARG H 1 33 ARG HB2 3.520 . 3.520 2.226 2.069 2.341 . 0 0 "[ . 1 . 2]" 1
524 1 33 ARG H 1 33 ARG HB3 3.780 . 3.780 3.553 3.294 3.632 . 0 0 "[ . 1 . 2]" 1
525 1 33 ARG H 1 33 ARG HD2 5.500 . 5.500 4.830 4.386 5.557 0.057 5 0 "[ . 1 . 2]" 1
526 1 33 ARG H 1 33 ARG HD3 5.050 . 5.050 5.058 4.695 5.169 0.119 8 0 "[ . 1 . 2]" 1
527 1 33 ARG H 1 33 ARG HG2 3.730 . 3.730 3.295 2.561 3.575 . 0 0 "[ . 1 . 2]" 1
528 1 33 ARG H 1 33 ARG HG3 3.900 . 3.900 3.130 2.472 3.929 0.029 19 0 "[ . 1 . 2]" 1
529 1 33 ARG H 1 37 CYS HA 5.120 . 5.120 5.218 5.162 5.278 0.158 1 0 "[ . 1 . 2]" 1
530 1 33 ARG H 1 37 CYS HB2 4.950 . 4.950 4.191 4.054 4.307 . 0 0 "[ . 1 . 2]" 1
531 1 33 ARG HA 1 33 ARG HD2 4.170 . 4.170 4.193 3.698 4.359 0.189 15 0 "[ . 1 . 2]" 1
532 1 33 ARG HA 1 33 ARG HD3 4.090 . 4.090 3.510 2.560 3.918 . 0 0 "[ . 1 . 2]" 1
533 1 33 ARG HA 1 33 ARG HG2 3.820 . 3.820 2.270 2.110 2.700 . 0 0 "[ . 1 . 2]" 1
534 1 33 ARG HA 1 33 ARG HG3 3.480 . 3.480 3.355 3.054 3.647 0.167 16 0 "[ . 1 . 2]" 1
535 1 33 ARG HA 1 34 SER H 3.480 . 3.480 3.465 3.304 3.508 0.028 9 0 "[ . 1 . 2]" 1
536 1 33 ARG HA 1 34 SER HB3 5.080 . 5.080 4.689 4.575 4.881 . 0 0 "[ . 1 . 2]" 1
537 1 33 ARG HB2 1 33 ARG HD2 4.180 . 4.180 3.095 2.583 4.118 . 0 0 "[ . 1 . 2]" 1
538 1 33 ARG HB2 1 33 ARG HD3 4.210 . 4.210 3.489 3.357 3.625 . 0 0 "[ . 1 . 2]" 1
539 1 33 ARG HB2 1 34 SER H 3.650 . 3.650 2.022 1.859 2.240 . 0 0 "[ . 1 . 2]" 1
540 1 33 ARG HB2 1 34 SER HA 4.970 . 4.970 4.705 4.538 4.895 . 0 0 "[ . 1 . 2]" 1
541 1 33 ARG HB2 1 37 CYS H 4.680 . 4.680 4.513 4.302 4.713 0.033 5 0 "[ . 1 . 2]" 1
542 1 33 ARG HB2 1 37 CYS HA 4.780 . 4.780 3.139 2.910 3.444 . 0 0 "[ . 1 . 2]" 1
543 1 33 ARG HB2 1 37 CYS HB2 4.330 . 4.330 2.745 2.514 2.953 . 0 0 "[ . 1 . 2]" 1
544 1 33 ARG HB2 1 37 CYS HB3 4.520 . 4.520 4.355 4.119 4.535 0.015 5 0 "[ . 1 . 2]" 1
545 1 33 ARG HB2 1 38 LYS H 5.500 . 5.500 4.637 4.363 4.957 . 0 0 "[ . 1 . 2]" 1
546 1 33 ARG HB3 1 33 ARG HD2 4.240 . 4.240 2.684 2.355 3.528 . 0 0 "[ . 1 . 2]" 1
547 1 33 ARG HB3 1 33 ARG HD3 4.160 . 4.160 2.366 2.197 2.610 . 0 0 "[ . 1 . 2]" 1
548 1 33 ARG HB3 1 34 SER H 3.410 . 3.410 2.605 2.001 2.825 . 0 0 "[ . 1 . 2]" 1
549 1 33 ARG HB3 1 34 SER HA 5.170 . 5.170 4.684 4.358 4.816 . 0 0 "[ . 1 . 2]" 1
550 1 33 ARG HB3 1 34 SER HB2 5.070 . 5.070 5.010 4.816 5.113 0.043 17 0 "[ . 1 . 2]" 1
551 1 33 ARG HB3 1 36 THR H 5.500 . 5.500 5.506 5.271 5.604 0.104 12 0 "[ . 1 . 2]" 1
552 1 33 ARG HB3 1 37 CYS HA 4.390 . 4.390 2.776 2.622 2.858 . 0 0 "[ . 1 . 2]" 1
553 1 33 ARG HB3 1 37 CYS HB2 4.750 . 4.750 3.663 3.477 3.747 . 0 0 "[ . 1 . 2]" 1
554 1 33 ARG HB3 1 37 CYS HB3 4.990 . 4.990 5.061 4.936 5.123 0.133 15 0 "[ . 1 . 2]" 1
555 1 33 ARG HD2 1 34 SER H 5.320 . 5.320 4.820 4.314 5.541 0.221 19 0 "[ . 1 . 2]" 1
556 1 33 ARG HD2 1 38 LYS H 5.450 . 5.450 3.624 2.899 5.199 . 0 0 "[ . 1 . 2]" 1
557 1 33 ARG HD2 1 39 THR H 5.170 . 5.170 3.666 3.238 5.199 0.029 5 0 "[ . 1 . 2]" 1
558 1 33 ARG HD3 1 34 SER H 5.100 . 5.100 4.893 4.180 5.123 0.023 15 0 "[ . 1 . 2]" 1
559 1 33 ARG HD3 1 38 LYS HE3 4.800 . 4.800 4.869 4.807 4.921 0.121 8 0 "[ . 1 . 2]" 1
560 1 33 ARG HD3 1 39 THR H 4.810 . 4.810 4.725 4.360 4.896 0.086 13 0 "[ . 1 . 2]" 1
561 1 33 ARG HG2 1 37 CYS HB2 5.500 . 5.500 5.395 4.720 5.536 0.036 11 0 "[ . 1 . 2]" 1
562 1 33 ARG HG3 1 34 SER H 4.820 . 4.820 4.097 3.755 4.361 . 0 0 "[ . 1 . 2]" 1
563 1 33 ARG HG3 1 37 CYS HA 4.550 . 4.550 4.430 3.592 4.693 0.143 15 0 "[ . 1 . 2]" 1
564 1 34 SER H 1 34 SER HB2 4.050 . 4.050 3.864 3.797 3.947 . 0 0 "[ . 1 . 2]" 1
565 1 34 SER H 1 34 SER HB3 3.800 . 3.800 3.548 3.482 3.622 . 0 0 "[ . 1 . 2]" 1
566 1 34 SER H 1 35 LEU H 4.560 . 4.560 4.136 4.009 4.279 . 0 0 "[ . 1 . 2]" 1
567 1 34 SER H 1 36 THR H 5.260 . 5.260 4.143 3.989 4.469 . 0 0 "[ . 1 . 2]" 1
568 1 34 SER H 1 37 CYS HB2 4.930 . 4.930 2.892 2.770 3.020 . 0 0 "[ . 1 . 2]" 1
569 1 34 SER HA 1 35 LEU H 3.210 . 3.210 2.423 2.273 2.559 . 0 0 "[ . 1 . 2]" 1
570 1 34 SER HA 1 35 LEU QD 3.820 . 3.820 3.038 2.446 3.893 0.073 12 0 "[ . 1 . 2]" 1
571 1 34 SER HA 1 35 LEU HG 4.490 . 4.490 4.066 3.368 4.520 0.030 9 0 "[ . 1 . 2]" 1
572 1 34 SER HA 1 36 THR MG 4.510 . 4.510 4.581 4.516 4.661 0.151 3 0 "[ . 1 . 2]" 1
573 1 34 SER HB2 1 35 LEU H 3.310 . 3.310 1.980 1.884 2.153 . 0 0 "[ . 1 . 2]" 1
574 1 34 SER HB2 1 35 LEU HA 5.450 . 5.450 4.480 4.411 4.540 . 0 0 "[ . 1 . 2]" 1
575 1 34 SER HB2 1 35 LEU HB3 5.170 . 5.170 5.228 5.191 5.265 0.095 15 0 "[ . 1 . 2]" 1
576 1 34 SER HB2 1 35 LEU QD 4.470 . 4.470 3.574 2.897 4.474 0.004 19 0 "[ . 1 . 2]" 1
577 1 34 SER HB2 1 35 LEU HG 5.140 . 5.140 4.775 4.124 5.188 0.048 17 0 "[ . 1 . 2]" 1
578 1 34 SER HB2 1 36 THR H 4.080 . 4.080 2.339 2.208 2.496 . 0 0 "[ . 1 . 2]" 1
579 1 34 SER HB2 1 62 HIS HE1 4.340 . 4.340 4.187 3.964 4.358 0.018 15 0 "[ . 1 . 2]" 1
580 1 34 SER HB3 1 35 LEU H 3.610 . 3.610 3.453 3.361 3.573 . 0 0 "[ . 1 . 2]" 1
581 1 34 SER HB3 1 36 THR H 4.240 . 4.240 3.818 3.731 3.930 . 0 0 "[ . 1 . 2]" 1
582 1 35 LEU H 1 35 LEU HB2 3.760 . 3.760 2.298 2.179 2.359 . 0 0 "[ . 1 . 2]" 1
583 1 35 LEU H 1 35 LEU HB3 3.570 . 3.570 3.470 3.406 3.502 . 0 0 "[ . 1 . 2]" 1
584 1 35 LEU H 1 35 LEU QD 3.450 . 3.450 2.268 1.785 3.030 0.015 3 0 "[ . 1 . 2]" 1
585 1 35 LEU H 1 35 LEU HG 3.410 . 3.410 2.863 2.146 3.293 . 0 0 "[ . 1 . 2]" 1
586 1 35 LEU H 1 36 THR H 4.390 . 4.390 2.336 2.216 2.406 . 0 0 "[ . 1 . 2]" 1
587 1 35 LEU H 1 36 THR MG 4.620 . 4.620 3.245 3.017 3.481 . 0 0 "[ . 1 . 2]" 1
588 1 35 LEU H 1 37 CYS H 4.590 . 4.590 4.092 3.858 4.413 . 0 0 "[ . 1 . 2]" 1
589 1 35 LEU H 1 59 LEU MD2 5.300 . 5.300 4.762 4.554 4.982 . 0 0 "[ . 1 . 2]" 1
590 1 35 LEU H 1 62 HIS HB3 5.500 . 5.500 5.545 5.512 5.585 0.085 14 0 "[ . 1 . 2]" 1
591 1 35 LEU H 1 62 HIS HE1 5.250 . 5.250 4.641 4.175 5.001 . 0 0 "[ . 1 . 2]" 1
592 1 35 LEU HA 1 35 LEU HB2 2.970 . 2.970 2.995 2.977 3.008 0.038 9 0 "[ . 1 . 2]" 1
593 1 35 LEU HA 1 35 LEU QD 3.200 . 3.200 2.596 1.889 3.078 . 0 0 "[ . 1 . 2]" 1
594 1 35 LEU HA 1 35 LEU HG 3.910 . 3.910 2.760 2.570 3.127 . 0 0 "[ . 1 . 2]" 1
595 1 35 LEU HA 1 37 CYS H 4.780 . 4.780 3.737 3.421 3.995 . 0 0 "[ . 1 . 2]" 1
596 1 35 LEU HB2 1 36 THR MG 4.420 . 4.420 3.568 3.268 3.779 . 0 0 "[ . 1 . 2]" 1
597 1 35 LEU HB2 1 59 LEU MD2 5.040 . 5.040 3.103 2.857 3.338 . 0 0 "[ . 1 . 2]" 1
598 1 35 LEU HB2 1 62 HIS HB3 5.040 . 5.040 3.389 3.270 3.667 . 0 0 "[ . 1 . 2]" 1
599 1 35 LEU HB2 1 62 HIS HD2 4.020 . 4.020 3.726 3.293 4.045 0.025 8 0 "[ . 1 . 2]" 1
600 1 35 LEU HB3 1 36 THR H 4.380 . 4.380 4.085 3.860 4.226 . 0 0 "[ . 1 . 2]" 1
601 1 35 LEU HB3 1 55 PHE QE 4.230 . 4.230 3.382 2.177 4.056 . 0 0 "[ . 1 . 2]" 1
602 1 35 LEU HB3 1 59 LEU HA 5.490 . 5.490 3.035 2.729 3.416 . 0 0 "[ . 1 . 2]" 1
603 1 35 LEU HB3 1 62 HIS HB2 5.040 . 5.040 2.682 2.307 3.469 . 0 0 "[ . 1 . 2]" 1
604 1 35 LEU HB3 1 62 HIS HD2 5.080 . 5.080 4.670 4.217 4.942 . 0 0 "[ . 1 . 2]" 1
605 1 35 LEU QD 1 36 THR H 4.020 . 4.020 3.885 3.651 4.132 0.112 4 0 "[ . 1 . 2]" 1
606 1 35 LEU QD 1 36 THR HB 5.500 . 5.500 4.925 4.505 5.409 . 0 0 "[ . 1 . 2]" 1
607 1 35 LEU QD 1 37 CYS H 5.350 . 5.350 4.942 4.653 5.276 . 0 0 "[ . 1 . 2]" 1
608 1 35 LEU QD 1 62 HIS HB3 3.800 . 3.800 3.321 3.122 3.404 . 0 0 "[ . 1 . 2]" 1
609 1 35 LEU QD 1 62 HIS HD2 4.640 . 4.640 4.416 4.200 4.614 . 0 0 "[ . 1 . 2]" 1
610 1 35 LEU HG 1 36 THR H 4.970 . 4.970 4.744 4.165 5.024 0.054 8 0 "[ . 1 . 2]" 1
611 1 35 LEU HG 1 58 LEU MD1 3.550 . 3.550 2.902 2.331 3.618 0.068 10 0 "[ . 1 . 2]" 1
612 1 36 THR H 1 36 THR HB 4.090 . 4.090 3.112 2.839 3.367 . 0 0 "[ . 1 . 2]" 1
613 1 36 THR H 1 36 THR MG 3.630 . 3.630 2.050 1.860 2.191 . 0 0 "[ . 1 . 2]" 1
614 1 36 THR H 1 37 CYS H 3.400 . 3.400 2.255 2.114 2.461 . 0 0 "[ . 1 . 2]" 1
615 1 36 THR H 1 37 CYS HA 4.900 . 4.900 4.032 3.854 4.231 . 0 0 "[ . 1 . 2]" 1
616 1 36 THR H 1 37 CYS HB2 4.970 . 4.970 4.377 4.204 4.488 . 0 0 "[ . 1 . 2]" 1
617 1 36 THR H 1 37 CYS HB3 4.830 . 4.830 4.821 4.659 4.889 0.059 9 0 "[ . 1 . 2]" 1
618 1 36 THR H 1 62 HIS HD2 5.250 . 5.250 4.740 4.104 5.208 . 0 0 "[ . 1 . 2]" 1
619 1 36 THR H 1 62 HIS HE1 5.280 . 5.280 5.312 5.042 5.357 0.077 13 0 "[ . 1 . 2]" 1
620 1 36 THR HA 1 36 THR HB 3.060 . 3.060 2.452 2.353 2.521 . 0 0 "[ . 1 . 2]" 1
621 1 36 THR HA 1 36 THR MG 3.280 . 3.280 3.198 3.175 3.225 . 0 0 "[ . 1 . 2]" 1
622 1 36 THR HA 1 45 ARG HE 5.500 . 5.500 4.568 4.127 4.964 . 0 0 "[ . 1 . 2]" 1
623 1 36 THR HA 1 55 PHE QE 5.330 . 5.330 3.946 3.491 4.620 . 0 0 "[ . 1 . 2]" 1
624 1 36 THR HA 1 59 LEU MD2 4.250 . 4.250 2.975 2.557 3.713 . 0 0 "[ . 1 . 2]" 1
625 1 36 THR HB 1 37 CYS H 4.760 . 4.760 4.420 4.305 4.517 . 0 0 "[ . 1 . 2]" 1
626 1 36 THR HB 1 59 LEU MD2 4.550 . 4.550 2.110 1.919 2.600 . 0 0 "[ . 1 . 2]" 1
627 1 36 THR HB 1 62 HIS HD2 4.940 . 4.940 2.546 2.056 3.393 . 0 0 "[ . 1 . 2]" 1
628 1 36 THR MG 1 37 CYS H 3.710 . 3.710 3.501 3.246 3.723 0.013 9 0 "[ . 1 . 2]" 1
629 1 36 THR MG 1 37 CYS HA 5.200 . 5.200 4.120 3.928 4.493 . 0 0 "[ . 1 . 2]" 1
630 1 36 THR MG 1 59 LEU MD2 3.300 . 3.300 3.420 3.374 3.496 0.196 2 0 "[ . 1 . 2]" 1
631 1 36 THR MG 1 62 HIS HB3 5.080 . 5.080 4.770 4.609 4.984 . 0 0 "[ . 1 . 2]" 1
632 1 36 THR MG 1 62 HIS HD2 3.520 . 3.520 3.050 2.745 3.291 . 0 0 "[ . 1 . 2]" 1
633 1 36 THR MG 1 63 LYS HD2 4.710 . 4.710 4.606 4.145 4.770 0.060 14 0 "[ . 1 . 2]" 1
634 1 36 THR MG 1 63 LYS HD3 5.500 . 5.500 4.159 3.688 4.476 . 0 0 "[ . 1 . 2]" 1
635 1 36 THR MG 1 63 LYS HE3 4.730 . 4.730 4.615 3.995 4.824 0.094 8 0 "[ . 1 . 2]" 1
636 1 37 CYS H 1 37 CYS HB2 3.070 . 3.070 2.453 2.402 2.499 . 0 0 "[ . 1 . 2]" 1
637 1 37 CYS H 1 37 CYS HB3 3.430 . 3.430 2.574 2.433 2.678 . 0 0 "[ . 1 . 2]" 1
638 1 37 CYS H 1 38 LYS H 4.510 . 4.510 4.524 4.450 4.560 0.050 14 0 "[ . 1 . 2]" 1
639 1 37 CYS H 1 45 ARG HE 5.060 . 5.060 4.191 3.898 4.390 . 0 0 "[ . 1 . 2]" 1
640 1 37 CYS HA 1 38 LYS H 2.850 . 2.850 2.240 2.184 2.289 . 0 0 "[ . 1 . 2]" 1
641 1 37 CYS HA 1 38 LYS HA 4.960 . 4.960 4.443 4.378 4.515 . 0 0 "[ . 1 . 2]" 1
642 1 37 CYS HA 1 38 LYS HB3 4.990 . 4.990 4.429 4.126 4.714 . 0 0 "[ . 1 . 2]" 1
643 1 37 CYS HA 1 39 THR H 3.870 . 3.870 3.666 3.543 3.783 . 0 0 "[ . 1 . 2]" 1
644 1 37 CYS HB2 1 38 LYS H 4.480 . 4.480 4.236 4.160 4.329 . 0 0 "[ . 1 . 2]" 1
645 1 37 CYS HB2 1 39 THR H 5.190 . 5.190 4.527 4.440 4.654 . 0 0 "[ . 1 . 2]" 1
646 1 37 CYS HB2 1 45 ARG HD2 5.390 . 5.390 5.450 5.413 5.500 0.110 3 0 "[ . 1 . 2]" 1
647 1 37 CYS HB3 1 38 LYS H 5.010 . 5.010 4.253 4.213 4.293 . 0 0 "[ . 1 . 2]" 1
648 1 37 CYS HB3 1 39 THR H 5.070 . 5.070 4.131 3.964 4.425 . 0 0 "[ . 1 . 2]" 1
649 1 37 CYS HB3 1 40 HIS H 5.290 . 5.290 3.711 3.591 3.855 . 0 0 "[ . 1 . 2]" 1
650 1 37 CYS HB3 1 45 ARG HD2 4.280 . 4.280 3.884 3.825 3.952 . 0 0 "[ . 1 . 2]" 1
651 1 37 CYS HB3 1 45 ARG HE 5.060 . 5.060 2.496 2.353 2.637 . 0 0 "[ . 1 . 2]" 1
652 1 37 CYS HB3 1 45 ARG HG2 5.150 . 5.150 3.377 3.147 3.605 . 0 0 "[ . 1 . 2]" 1
653 1 38 LYS H 1 38 LYS HB2 3.730 . 3.730 2.331 2.172 2.528 . 0 0 "[ . 1 . 2]" 1
654 1 38 LYS H 1 38 LYS HB3 3.420 . 3.420 2.233 1.978 2.479 . 0 0 "[ . 1 . 2]" 1
655 1 38 LYS H 1 38 LYS QD 5.160 . 5.160 4.464 4.281 4.644 . 0 0 "[ . 1 . 2]" 1
656 1 38 LYS H 1 38 LYS HE3 5.500 . 5.500 3.898 3.657 4.445 . 0 0 "[ . 1 . 2]" 1
657 1 38 LYS H 1 38 LYS HG2 4.340 . 4.340 4.250 4.057 4.355 0.015 6 0 "[ . 1 . 2]" 1
658 1 38 LYS H 1 38 LYS HG3 4.140 . 4.140 4.229 4.187 4.274 0.134 16 0 "[ . 1 . 2]" 1
659 1 38 LYS H 1 39 THR H 3.330 . 3.330 2.416 2.356 2.475 . 0 0 "[ . 1 . 2]" 1
660 1 38 LYS H 1 39 THR HA 4.720 . 4.720 4.825 4.781 4.852 0.132 3 0 "[ . 1 . 2]" 1
661 1 38 LYS H 1 39 THR HB 4.750 . 4.750 4.524 4.274 4.681 . 0 0 "[ . 1 . 2]" 1
662 1 38 LYS H 1 40 HIS H 4.850 . 4.850 4.173 4.070 4.385 . 0 0 "[ . 1 . 2]" 1
663 1 38 LYS HA 1 38 LYS QD 4.650 . 4.650 4.064 3.950 4.226 . 0 0 "[ . 1 . 2]" 1
664 1 38 LYS HA 1 38 LYS HG2 3.670 . 3.670 3.099 2.779 3.391 . 0 0 "[ . 1 . 2]" 1
665 1 38 LYS HA 1 38 LYS HG3 3.610 . 3.610 2.540 2.451 2.645 . 0 0 "[ . 1 . 2]" 1
666 1 38 LYS HA 1 39 THR HA 4.940 . 4.940 4.711 4.602 4.803 . 0 0 "[ . 1 . 2]" 1
667 1 38 LYS HA 1 39 THR HB 5.420 . 5.420 5.519 5.470 5.582 0.162 16 0 "[ . 1 . 2]" 1
668 1 38 LYS HB2 1 39 THR H 4.340 . 4.340 4.085 3.883 4.285 . 0 0 "[ . 1 . 2]" 1
669 1 38 LYS HB3 1 38 LYS HE3 4.950 . 4.950 2.171 1.959 2.608 . 0 0 "[ . 1 . 2]" 1
670 1 38 LYS HB3 1 39 THR H 4.110 . 4.110 3.155 2.826 3.387 . 0 0 "[ . 1 . 2]" 1
671 1 38 LYS HB3 1 39 THR HA 4.780 . 4.780 4.193 3.876 4.506 . 0 0 "[ . 1 . 2]" 1
672 1 38 LYS HB3 1 39 THR MG 5.500 . 5.500 5.391 5.147 5.549 0.049 5 0 "[ . 1 . 2]" 1
673 1 38 LYS HE3 1 38 LYS HG3 4.110 . 4.110 3.620 3.178 3.823 . 0 0 "[ . 1 . 2]" 1
674 1 38 LYS HG2 1 39 THR H 4.620 . 4.620 4.408 3.920 4.629 0.009 18 0 "[ . 1 . 2]" 1
675 1 38 LYS HG3 1 39 THR H 5.160 . 5.160 5.049 4.847 5.173 0.013 6 0 "[ . 1 . 2]" 1
676 1 39 THR H 1 39 THR HB 3.030 . 3.030 2.310 2.147 2.401 . 0 0 "[ . 1 . 2]" 1
677 1 39 THR H 1 39 THR MG 3.870 . 3.870 3.658 3.594 3.697 . 0 0 "[ . 1 . 2]" 1
678 1 39 THR H 1 40 HIS H 3.080 . 3.080 2.188 2.093 2.367 . 0 0 "[ . 1 . 2]" 1
679 1 39 THR H 1 40 HIS HB2 4.600 . 4.600 4.093 4.041 4.169 . 0 0 "[ . 1 . 2]" 1
680 1 39 THR H 1 40 HIS HB3 5.500 . 5.500 5.612 5.569 5.709 0.209 16 0 "[ . 1 . 2]" 1
681 1 39 THR HA 1 39 THR MG 3.150 . 3.150 2.414 2.340 2.553 . 0 0 "[ . 1 . 2]" 1
682 1 39 THR HA 1 40 HIS HA 4.780 . 4.780 4.695 4.585 4.783 0.003 18 0 "[ . 1 . 2]" 1
683 1 39 THR HB 1 40 HIS H 3.330 . 3.330 2.403 1.862 2.956 . 0 0 "[ . 1 . 2]" 1
684 1 39 THR HB 1 40 HIS HD2 5.380 . 5.380 4.433 4.009 5.046 . 0 0 "[ . 1 . 2]" 1
685 1 39 THR MG 1 40 HIS H 3.750 . 3.750 3.551 3.218 3.703 . 0 0 "[ . 1 . 2]" 1
686 1 39 THR MG 1 40 HIS HA 3.440 . 3.440 3.508 3.450 3.567 0.127 20 0 "[ . 1 . 2]" 1
687 1 39 THR MG 1 40 HIS HB2 5.500 . 5.500 4.330 4.150 4.479 . 0 0 "[ . 1 . 2]" 1
688 1 39 THR MG 1 40 HIS HD2 3.730 . 3.730 3.265 2.953 3.742 0.012 18 0 "[ . 1 . 2]" 1
689 1 39 THR MG 1 40 HIS HE1 3.970 . 3.970 3.976 3.435 4.088 0.118 18 0 "[ . 1 . 2]" 1
690 1 39 THR MG 1 41 SER H 5.500 . 5.500 5.331 5.188 5.504 0.004 20 0 "[ . 1 . 2]" 1
691 1 40 HIS H 1 40 HIS HB2 3.500 . 3.500 2.386 2.228 2.554 . 0 0 "[ . 1 . 2]" 1
692 1 40 HIS H 1 40 HIS HB3 4.040 . 4.040 3.614 3.529 3.717 . 0 0 "[ . 1 . 2]" 1
693 1 40 HIS H 1 41 SER H 4.850 . 4.850 4.387 4.280 4.520 . 0 0 "[ . 1 . 2]" 1
694 1 40 HIS HA 1 40 HIS HD2 3.430 . 3.430 2.468 2.338 2.594 . 0 0 "[ . 1 . 2]" 1
695 1 40 HIS HA 1 41 SER H 3.100 . 3.100 2.143 2.079 2.215 . 0 0 "[ . 1 . 2]" 1
696 1 40 HIS HA 1 41 SER HB2 5.500 . 5.500 5.568 5.527 5.608 0.108 20 0 "[ . 1 . 2]" 1
697 1 40 HIS HA 1 41 SER HB3 4.450 . 4.450 4.530 4.502 4.571 0.121 14 0 "[ . 1 . 2]" 1
698 1 40 HIS HB2 1 40 HIS HD2 3.960 . 3.960 3.923 3.877 3.946 . 0 0 "[ . 1 . 2]" 1
699 1 40 HIS HB2 1 41 SER H 4.990 . 4.990 4.219 4.147 4.321 . 0 0 "[ . 1 . 2]" 1
700 1 40 HIS HB2 1 44 GLN QB 4.790 . 4.790 3.948 3.704 4.081 . 0 0 "[ . 1 . 2]" 1
701 1 40 HIS HB2 1 44 GLN HE21 4.930 . 4.930 3.656 3.527 3.776 . 0 0 "[ . 1 . 2]" 1
702 1 40 HIS HB2 1 45 ARG HA 5.500 . 5.500 5.374 5.097 5.532 0.032 11 0 "[ . 1 . 2]" 1
703 1 40 HIS HB2 1 45 ARG HD2 4.760 . 4.760 3.037 2.741 3.205 . 0 0 "[ . 1 . 2]" 1
704 1 40 HIS HB2 1 45 ARG HE 4.870 . 4.870 3.023 2.807 3.251 . 0 0 "[ . 1 . 2]" 1
705 1 40 HIS HB2 1 45 ARG HG2 4.920 . 4.920 4.687 4.583 4.830 . 0 0 "[ . 1 . 2]" 1
706 1 40 HIS HB3 1 40 HIS HD2 3.730 . 3.730 3.285 3.132 3.400 . 0 0 "[ . 1 . 2]" 1
707 1 40 HIS HB3 1 41 SER H 3.940 . 3.940 3.221 3.056 3.385 . 0 0 "[ . 1 . 2]" 1
708 1 40 HIS HB3 1 44 GLN QB . . 4.160 2.368 2.087 2.557 . 0 0 "[ . 1 . 2]" 1
709 1 40 HIS HB3 1 44 GLN HE21 4.130 . 4.130 2.076 1.951 2.178 . 0 0 "[ . 1 . 2]" 1
710 1 40 HIS HB3 1 44 GLN HE22 5.470 . 5.470 3.471 3.236 3.688 . 0 0 "[ . 1 . 2]" 1
711 1 40 HIS HB3 1 45 ARG HA 5.500 . 5.500 4.679 4.442 4.922 . 0 0 "[ . 1 . 2]" 1
712 1 40 HIS HB3 1 45 ARG HD2 5.500 . 5.500 2.636 2.382 2.831 . 0 0 "[ . 1 . 2]" 1
713 1 40 HIS HB3 1 45 ARG HE 5.500 . 5.500 3.703 3.445 3.947 . 0 0 "[ . 1 . 2]" 1
714 1 40 HIS HB3 1 45 ARG HG2 4.990 . 4.990 5.025 4.897 5.056 0.066 3 0 "[ . 1 . 2]" 1
715 1 40 HIS HB3 1 45 ARG HG3 5.360 . 5.360 3.685 3.569 3.771 . 0 0 "[ . 1 . 2]" 1
716 1 40 HIS HD2 1 41 SER H 4.270 . 4.270 3.975 3.827 4.107 . 0 0 "[ . 1 . 2]" 1
717 1 40 HIS HD2 1 44 GLN QB . . 5.210 3.997 3.246 4.383 . 0 0 "[ . 1 . 2]" 1
718 1 40 HIS HD2 1 44 GLN HE21 4.520 . 4.520 2.602 2.085 2.980 . 0 0 "[ . 1 . 2]" 1
719 1 41 SER H 1 41 SER HB3 3.500 . 3.500 2.749 2.666 2.837 . 0 0 "[ . 1 . 2]" 1
720 1 41 SER H 1 44 GLN H 4.550 . 4.550 4.188 4.013 4.362 . 0 0 "[ . 1 . 2]" 1
721 1 41 SER H 1 44 GLN QB 4.630 . 4.630 3.323 3.040 3.612 . 0 0 "[ . 1 . 2]" 1
722 1 41 SER H 1 44 GLN HE21 5.020 . 5.020 2.598 2.188 2.979 . 0 0 "[ . 1 . 2]" 1
723 1 41 SER H 1 44 GLN HE22 5.200 . 5.200 2.981 2.741 3.264 . 0 0 "[ . 1 . 2]" 1
724 1 41 SER H 1 44 GLN HG2 4.780 . 4.780 3.968 3.822 4.106 . 0 0 "[ . 1 . 2]" 1
725 1 41 SER H 1 44 GLN HG3 4.160 . 4.160 2.517 2.335 2.667 . 0 0 "[ . 1 . 2]" 1
726 1 41 SER HA 1 42 LEU H 3.230 . 3.230 2.180 2.144 2.243 . 0 0 "[ . 1 . 2]" 1
727 1 41 SER HA 1 42 LEU HA 4.280 . 4.280 4.079 4.040 4.156 . 0 0 "[ . 1 . 2]" 1
728 1 41 SER HA 1 42 LEU HB3 4.500 . 4.500 4.542 4.514 4.557 0.057 14 0 "[ . 1 . 2]" 1
729 1 41 SER HA 1 43 THR H 4.570 . 4.570 4.335 4.288 4.393 . 0 0 "[ . 1 . 2]" 1
730 1 41 SER HA 1 44 GLN H 5.110 . 5.110 4.579 4.544 4.633 . 0 0 "[ . 1 . 2]" 1
731 1 41 SER HA 1 44 GLN HG2 5.500 . 5.500 5.670 5.648 5.711 0.211 1 0 "[ . 1 . 2]" 1
732 1 41 SER HA 1 45 ARG HD2 4.080 . 4.080 4.162 4.118 4.187 0.107 12 0 "[ . 1 . 2]" 1
733 1 41 SER HB2 1 42 LEU H 3.260 . 3.260 2.425 2.329 2.541 . 0 0 "[ . 1 . 2]" 1
734 1 41 SER HB2 1 42 LEU HB2 5.150 . 5.150 4.626 4.512 4.722 . 0 0 "[ . 1 . 2]" 1
735 1 41 SER HB2 1 43 THR H 4.780 . 4.780 3.003 2.955 3.093 . 0 0 "[ . 1 . 2]" 1
736 1 41 SER HB2 1 44 GLN HG3 5.500 . 5.500 3.572 3.435 3.756 . 0 0 "[ . 1 . 2]" 1
737 1 41 SER HB3 1 43 THR H 4.500 . 4.500 4.655 4.619 4.689 0.189 14 0 "[ . 1 . 2]" 1
738 1 41 SER HB3 1 44 GLN H 5.070 . 5.070 5.049 5.003 5.107 0.037 16 0 "[ . 1 . 2]" 1
739 1 42 LEU H 1 42 LEU HB2 3.950 . 3.950 2.376 2.331 2.410 . 0 0 "[ . 1 . 2]" 1
740 1 42 LEU H 1 42 LEU HB3 3.970 . 3.970 2.371 2.303 2.410 . 0 0 "[ . 1 . 2]" 1
741 1 42 LEU H 1 42 LEU MD1 4.990 . 4.990 4.097 4.027 4.150 . 0 0 "[ . 1 . 2]" 1
742 1 42 LEU H 1 42 LEU MD2 5.220 . 5.220 4.031 3.988 4.104 . 0 0 "[ . 1 . 2]" 1
743 1 42 LEU H 1 43 THR H 4.430 . 4.430 2.902 2.815 2.954 . 0 0 "[ . 1 . 2]" 1
744 1 42 LEU H 1 43 THR HB 5.440 . 5.440 5.340 5.217 5.423 . 0 0 "[ . 1 . 2]" 1
745 1 42 LEU HA 1 42 LEU MD1 3.350 . 3.350 3.387 3.366 3.412 0.062 1 0 "[ . 1 . 2]" 1
746 1 42 LEU HA 1 42 LEU MD2 3.270 . 3.270 2.160 2.124 2.250 . 0 0 "[ . 1 . 2]" 1
747 1 42 LEU HA 1 45 ARG H 3.760 . 3.760 3.483 3.423 3.532 . 0 0 "[ . 1 . 2]" 1
748 1 42 LEU HA 1 45 ARG QB 3.270 . 3.270 3.186 3.078 3.275 0.005 4 0 "[ . 1 . 2]" 1
749 1 42 LEU HA 1 45 ARG HE 4.500 . 4.500 4.102 3.901 4.504 0.004 3 0 "[ . 1 . 2]" 1
750 1 42 LEU HA 1 46 ARG H 4.440 . 4.440 4.249 4.161 4.352 . 0 0 "[ . 1 . 2]" 1
751 1 42 LEU HA 1 55 PHE QE 3.570 . 3.570 3.320 2.866 3.592 0.022 5 0 "[ . 1 . 2]" 1
752 1 42 LEU HB2 1 42 LEU MD1 3.660 . 3.660 3.170 3.141 3.194 . 0 0 "[ . 1 . 2]" 1
753 1 42 LEU HB2 1 43 THR H 3.890 . 3.890 3.910 3.896 3.932 0.042 1 0 "[ . 1 . 2]" 1
754 1 42 LEU HB2 1 44 GLN H 5.480 . 5.480 5.527 5.506 5.550 0.070 1 0 "[ . 1 . 2]" 1
755 1 42 LEU HB3 1 42 LEU MD1 3.570 . 3.570 2.271 2.216 2.304 . 0 0 "[ . 1 . 2]" 1
756 1 42 LEU HB3 1 43 THR H 3.630 . 3.630 2.639 2.599 2.696 . 0 0 "[ . 1 . 2]" 1
757 1 42 LEU HB3 1 44 GLN H 5.500 . 5.500 4.814 4.757 4.889 . 0 0 "[ . 1 . 2]" 1
758 1 42 LEU MD1 1 43 THR H 4.300 . 4.300 2.987 2.897 3.064 . 0 0 "[ . 1 . 2]" 1
759 1 42 LEU MD1 1 43 THR HB 5.060 . 5.060 4.411 4.256 4.599 . 0 0 "[ . 1 . 2]" 1
760 1 42 LEU MD1 1 45 ARG H 5.070 . 5.070 4.737 4.586 4.910 . 0 0 "[ . 1 . 2]" 1
761 1 42 LEU MD1 1 45 ARG HD3 5.370 . 5.370 4.724 4.573 4.911 . 0 0 "[ . 1 . 2]" 1
762 1 42 LEU MD1 1 46 ARG H 4.900 . 4.900 3.957 3.843 4.086 . 0 0 "[ . 1 . 2]" 1
763 1 42 LEU MD1 1 46 ARG HD2 4.360 . 4.360 2.126 1.926 2.401 . 0 0 "[ . 1 . 2]" 1
764 1 42 LEU MD1 1 46 ARG HD3 5.180 . 5.180 3.047 2.037 3.644 . 0 0 "[ . 1 . 2]" 1
765 1 42 LEU MD1 1 46 ARG HE 4.290 . 4.290 3.695 3.053 4.270 . 0 0 "[ . 1 . 2]" 1
766 1 42 LEU MD1 1 46 ARG HG2 4.530 . 4.530 3.970 3.689 4.171 . 0 0 "[ . 1 . 2]" 1
767 1 42 LEU MD1 1 46 ARG HG3 3.740 . 3.740 2.835 2.547 3.059 . 0 0 "[ . 1 . 2]" 1
768 1 42 LEU MD1 1 47 ALA H 5.360 . 5.360 5.439 5.408 5.477 0.117 20 0 "[ . 1 . 2]" 1
769 1 42 LEU MD1 1 55 PHE QD 4.310 . 4.310 4.200 3.956 4.356 0.046 16 0 "[ . 1 . 2]" 1
770 1 42 LEU MD1 1 55 PHE QE 4.140 . 4.140 4.038 3.919 4.200 0.060 1 0 "[ . 1 . 2]" 1
771 1 42 LEU MD2 1 43 THR H 4.490 . 4.490 4.039 3.993 4.079 . 0 0 "[ . 1 . 2]" 1
772 1 42 LEU MD2 1 44 GLN H 4.690 . 4.690 4.766 4.750 4.783 0.093 19 0 "[ . 1 . 2]" 1
773 1 42 LEU MD2 1 46 ARG H 3.330 . 3.330 3.444 3.429 3.475 0.145 18 0 "[ . 1 . 2]" 1
774 1 42 LEU MD2 1 46 ARG HD2 4.970 . 4.970 2.846 1.984 3.538 . 0 0 "[ . 1 . 2]" 1
775 1 42 LEU MD2 1 46 ARG HE 4.240 . 4.240 3.643 2.977 4.390 0.150 1 0 "[ . 1 . 2]" 1
776 1 42 LEU MD2 1 46 ARG HG2 3.740 . 3.740 3.480 3.123 3.754 0.014 11 0 "[ . 1 . 2]" 1
777 1 42 LEU MD2 1 46 ARG HG3 4.530 . 4.530 2.349 2.107 2.527 . 0 0 "[ . 1 . 2]" 1
778 1 42 LEU MD2 1 55 PHE QE 3.700 . 3.700 1.827 1.786 1.904 0.014 19 0 "[ . 1 . 2]" 1
779 1 42 LEU MD2 1 55 PHE HZ 4.250 . 4.250 3.479 3.223 3.713 . 0 0 "[ . 1 . 2]" 1
780 1 42 LEU MD2 1 69 LYS QE 5.490 . 5.490 4.541 4.160 5.072 . 0 0 "[ . 1 . 2]" 1
781 1 42 LEU HG 1 55 PHE QE 4.930 . 4.930 4.310 4.205 4.411 . 0 0 "[ . 1 . 2]" 1
782 1 42 LEU HG 1 69 LYS QE 5.220 . 5.220 5.283 5.148 5.367 0.147 12 0 "[ . 1 . 2]" 1
783 1 43 THR H 1 43 THR HB 3.340 . 3.340 2.640 2.578 2.739 . 0 0 "[ . 1 . 2]" 1
784 1 43 THR H 1 43 THR MG 4.110 . 4.110 3.758 3.705 3.807 . 0 0 "[ . 1 . 2]" 1
785 1 43 THR H 1 44 GLN H 3.690 . 3.690 2.524 2.472 2.561 . 0 0 "[ . 1 . 2]" 1
786 1 43 THR H 1 44 GLN HG2 5.380 . 5.380 4.439 4.362 4.510 . 0 0 "[ . 1 . 2]" 1
787 1 43 THR H 1 44 GLN HG3 4.910 . 4.910 3.782 3.657 3.882 . 0 0 "[ . 1 . 2]" 1
788 1 43 THR HA 1 43 THR MG 3.300 . 3.300 2.290 2.222 2.370 . 0 0 "[ . 1 . 2]" 1
789 1 43 THR HA 1 46 ARG H 3.890 . 3.890 3.348 3.249 3.418 . 0 0 "[ . 1 . 2]" 1
790 1 43 THR HA 1 46 ARG HB2 4.500 . 4.500 2.639 2.443 2.861 . 0 0 "[ . 1 . 2]" 1
791 1 43 THR HA 1 46 ARG HD2 4.440 . 4.440 3.547 2.731 4.472 0.032 1 0 "[ . 1 . 2]" 1
792 1 43 THR HA 1 46 ARG HD3 4.160 . 4.160 3.667 2.897 4.212 0.052 13 0 "[ . 1 . 2]" 1
793 1 43 THR HA 1 47 ALA H 4.410 . 4.410 3.988 3.833 4.211 . 0 0 "[ . 1 . 2]" 1
794 1 43 THR HB 1 44 GLN H 3.550 . 3.550 2.996 2.886 3.080 . 0 0 "[ . 1 . 2]" 1
795 1 43 THR HB 1 44 GLN HG2 4.700 . 4.700 3.373 3.160 3.610 . 0 0 "[ . 1 . 2]" 1
796 1 43 THR HB 1 44 GLN HG3 4.890 . 4.890 3.843 3.615 4.116 . 0 0 "[ . 1 . 2]" 1
797 1 43 THR MG 1 44 GLN H 4.290 . 4.290 3.785 3.712 3.870 . 0 0 "[ . 1 . 2]" 1
798 1 43 THR MG 1 44 GLN HA 4.350 . 4.350 3.653 3.491 3.849 . 0 0 "[ . 1 . 2]" 1
799 1 43 THR MG 1 44 GLN HG2 4.690 . 4.690 4.113 3.809 4.326 . 0 0 "[ . 1 . 2]" 1
800 1 43 THR MG 1 44 GLN HG3 4.970 . 4.970 4.859 4.620 4.975 0.005 5 0 "[ . 1 . 2]" 1
801 1 43 THR MG 1 45 ARG H 5.500 . 5.500 4.961 4.868 5.097 . 0 0 "[ . 1 . 2]" 1
802 1 43 THR MG 1 46 ARG H 4.410 . 4.410 4.523 4.495 4.551 0.141 6 0 "[ . 1 . 2]" 1
803 1 43 THR MG 1 46 ARG HD3 5.500 . 5.500 4.261 3.558 4.602 . 0 0 "[ . 1 . 2]" 1
804 1 43 THR MG 1 47 ALA H 5.500 . 5.500 3.823 3.669 4.062 . 0 0 "[ . 1 . 2]" 1
805 1 43 THR MG 1 47 ALA MB 4.690 . 4.690 3.010 2.851 3.196 . 0 0 "[ . 1 . 2]" 1
806 1 44 GLN H 1 44 GLN QB 3.670 . 3.670 2.665 2.629 2.694 . 0 0 "[ . 1 . 2]" 1
807 1 44 GLN H 1 44 GLN HG2 3.590 . 3.590 2.710 2.651 2.772 . 0 0 "[ . 1 . 2]" 1
808 1 44 GLN H 1 44 GLN HG3 3.330 . 3.330 2.104 2.034 2.174 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLN H 1 45 ARG H 3.560 . 3.560 2.296 2.238 2.352 . 0 0 "[ . 1 . 2]" 1
810 1 44 GLN H 1 45 ARG HA 5.350 . 5.350 4.950 4.897 5.009 . 0 0 "[ . 1 . 2]" 1
811 1 44 GLN H 1 46 ARG H 4.890 . 4.890 3.875 3.768 4.020 . 0 0 "[ . 1 . 2]" 1
812 1 44 GLN H 1 47 ALA H 5.500 . 5.500 4.508 4.386 4.649 . 0 0 "[ . 1 . 2]" 1
813 1 44 GLN H 1 47 ALA MB 5.500 . 5.500 4.522 4.386 4.706 . 0 0 "[ . 1 . 2]" 1
814 1 44 GLN HA 1 44 GLN HE21 4.770 . 4.770 4.469 4.391 4.567 . 0 0 "[ . 1 . 2]" 1
815 1 44 GLN HA 1 44 GLN HG2 3.360 . 3.360 2.720 2.686 2.772 . 0 0 "[ . 1 . 2]" 1
816 1 44 GLN HA 1 44 GLN HG3 3.750 . 3.750 3.478 3.421 3.536 . 0 0 "[ . 1 . 2]" 1
817 1 44 GLN HA 1 47 ALA H 4.090 . 4.090 3.375 3.197 3.572 . 0 0 "[ . 1 . 2]" 1
818 1 44 GLN HA 1 47 ALA MB 3.810 . 3.810 2.445 2.260 2.688 . 0 0 "[ . 1 . 2]" 1
819 1 44 GLN QB 1 44 GLN HE21 3.740 . 3.740 1.899 1.858 1.989 . 0 0 "[ . 1 . 2]" 1
820 1 44 GLN QB 1 44 GLN HE22 4.040 . 4.040 3.214 3.135 3.324 . 0 0 "[ . 1 . 2]" 1
821 1 44 GLN QB 1 45 ARG H . . 4.120 2.724 2.571 2.808 . 0 0 "[ . 1 . 2]" 1
822 1 44 GLN QB 1 45 ARG HA . . 4.300 3.801 3.733 3.865 . 0 0 "[ . 1 . 2]" 1
823 1 44 GLN QB 1 46 ARG H 5.500 . 5.500 4.809 4.757 4.928 . 0 0 "[ . 1 . 2]" 1
824 1 44 GLN QB 1 47 ALA H 5.500 . 5.500 4.802 4.634 4.968 . 0 0 "[ . 1 . 2]" 1
825 1 44 GLN QB 1 47 ALA MB 5.080 . 5.080 3.830 3.597 4.086 . 0 0 "[ . 1 . 2]" 1
826 1 44 GLN QB 1 48 VAL QG 5.500 . 5.500 4.357 3.336 4.631 . 0 0 "[ . 1 . 2]" 1
827 1 44 GLN HE21 1 45 ARG HD2 5.500 . 5.500 4.109 4.013 4.178 . 0 0 "[ . 1 . 2]" 1
828 1 44 GLN HE21 1 45 ARG HD3 5.400 . 5.400 5.478 5.438 5.515 0.115 1 0 "[ . 1 . 2]" 1
829 1 44 GLN HE21 1 45 ARG HE 5.500 . 5.500 5.474 5.296 5.566 0.066 7 0 "[ . 1 . 2]" 1
830 1 44 GLN HG2 1 45 ARG H 4.470 . 4.470 4.508 4.487 4.532 0.062 19 0 "[ . 1 . 2]" 1
831 1 44 GLN HG2 1 47 ALA MB 5.500 . 5.500 4.564 4.363 4.826 . 0 0 "[ . 1 . 2]" 1
832 1 44 GLN HG3 1 45 ARG H 4.550 . 4.550 3.740 3.680 3.795 . 0 0 "[ . 1 . 2]" 1
833 1 45 ARG H 1 45 ARG QB 3.540 . 3.540 2.572 2.523 2.645 . 0 0 "[ . 1 . 2]" 1
834 1 45 ARG H 1 45 ARG HD3 5.440 . 5.440 2.334 2.241 2.501 . 0 0 "[ . 1 . 2]" 1
835 1 45 ARG H 1 45 ARG HE 4.700 . 4.700 4.677 4.578 4.753 0.053 3 0 "[ . 1 . 2]" 1
836 1 45 ARG H 1 45 ARG HG2 4.250 . 4.250 4.179 4.156 4.202 . 0 0 "[ . 1 . 2]" 1
837 1 45 ARG H 1 45 ARG HG3 4.050 . 4.050 3.468 3.370 3.574 . 0 0 "[ . 1 . 2]" 1
838 1 45 ARG H 1 46 ARG H 3.480 . 3.480 2.524 2.396 2.647 . 0 0 "[ . 1 . 2]" 1
839 1 45 ARG H 1 47 ALA H 4.690 . 4.690 3.847 3.696 4.080 . 0 0 "[ . 1 . 2]" 1
840 1 45 ARG H 1 48 VAL QG 5.260 . 5.260 4.522 4.079 4.737 . 0 0 "[ . 1 . 2]" 1
841 1 45 ARG H 1 55 PHE QE 5.120 . 5.120 4.929 4.529 5.149 0.029 3 0 "[ . 1 . 2]" 1
842 1 45 ARG HA 1 45 ARG HD2 4.810 . 4.810 3.630 3.549 3.690 . 0 0 "[ . 1 . 2]" 1
843 1 45 ARG HA 1 45 ARG HD3 4.310 . 4.310 3.910 3.822 4.047 . 0 0 "[ . 1 . 2]" 1
844 1 45 ARG HA 1 45 ARG HE 5.260 . 5.260 5.351 5.306 5.389 0.129 15 0 "[ . 1 . 2]" 1
845 1 45 ARG HA 1 45 ARG HG2 3.820 . 3.820 3.668 3.619 3.719 . 0 0 "[ . 1 . 2]" 1
846 1 45 ARG HA 1 45 ARG HG3 3.900 . 3.900 2.495 2.438 2.547 . 0 0 "[ . 1 . 2]" 1
847 1 45 ARG HA 1 47 ALA H 4.770 . 4.770 4.267 4.081 4.480 . 0 0 "[ . 1 . 2]" 1
848 1 45 ARG HA 1 48 VAL H 4.050 . 4.050 3.574 3.351 3.813 . 0 0 "[ . 1 . 2]" 1
849 1 45 ARG HA 1 48 VAL HB 4.920 . 4.920 4.514 4.243 4.997 0.077 11 0 "[ . 1 . 2]" 1
850 1 45 ARG HA 1 48 VAL QG 3.540 . 3.540 2.348 2.019 2.509 . 0 0 "[ . 1 . 2]" 1
851 1 45 ARG HA 1 51 ARG HH22 4.310 . 4.310 2.565 2.400 2.747 . 0 0 "[ . 1 . 2]" 1
852 1 45 ARG QB 1 45 ARG HE 4.980 . 4.980 4.141 4.096 4.205 . 0 0 "[ . 1 . 2]" 1
853 1 45 ARG QB 1 46 ARG H 4.180 . 4.180 2.606 2.529 2.697 . 0 0 "[ . 1 . 2]" 1
854 1 45 ARG QB 1 55 PHE QD . . 4.190 2.794 2.746 2.856 . 0 0 "[ . 1 . 2]" 1
855 1 45 ARG QB 1 55 PHE QE . . 3.460 2.643 2.421 2.768 . 0 0 "[ . 1 . 2]" 1
856 1 45 ARG QB 1 55 PHE HZ . . 3.480 3.232 3.156 3.337 . 0 0 "[ . 1 . 2]" 1
857 1 45 ARG HD2 1 55 PHE HZ 5.500 . 5.500 5.238 5.038 5.480 . 0 0 "[ . 1 . 2]" 1
858 1 45 ARG HD3 1 46 ARG H 4.950 . 4.950 3.840 3.752 4.021 . 0 0 "[ . 1 . 2]" 1
859 1 45 ARG HD3 1 55 PHE QE 4.470 . 4.470 3.715 3.281 4.045 . 0 0 "[ . 1 . 2]" 1
860 1 45 ARG HD3 1 55 PHE HZ 4.280 . 4.280 4.146 3.924 4.317 0.037 6 0 "[ . 1 . 2]" 1
861 1 45 ARG HE 1 55 PHE QE 5.000 . 5.000 5.096 5.030 5.162 0.162 10 0 "[ . 1 . 2]" 1
862 1 45 ARG HE 1 55 PHE HZ 5.030 . 5.030 4.784 4.637 5.031 0.001 4 0 "[ . 1 . 2]" 1
863 1 45 ARG HG2 1 48 VAL QG 5.100 . 5.100 5.051 4.733 5.159 0.059 1 0 "[ . 1 . 2]" 1
864 1 45 ARG HG2 1 55 PHE QE 5.050 . 5.050 3.119 2.850 3.556 . 0 0 "[ . 1 . 2]" 1
865 1 45 ARG HG2 1 55 PHE HZ 5.500 . 5.500 3.009 2.775 3.287 . 0 0 "[ . 1 . 2]" 1
866 1 45 ARG HG3 1 46 ARG H 5.390 . 5.390 4.952 4.879 5.048 . 0 0 "[ . 1 . 2]" 1
867 1 46 ARG H 1 46 ARG HB2 3.620 . 3.620 2.331 2.200 2.453 . 0 0 "[ . 1 . 2]" 1
868 1 46 ARG H 1 46 ARG HB3 3.980 . 3.980 3.565 3.506 3.610 . 0 0 "[ . 1 . 2]" 1
869 1 46 ARG H 1 46 ARG HD2 4.550 . 4.550 4.287 4.004 4.636 0.086 1 0 "[ . 1 . 2]" 1
870 1 46 ARG H 1 46 ARG HD3 4.760 . 4.760 4.462 3.974 4.793 0.033 12 0 "[ . 1 . 2]" 1
871 1 46 ARG H 1 46 ARG HG2 4.290 . 4.290 3.565 3.319 3.796 . 0 0 "[ . 1 . 2]" 1
872 1 46 ARG H 1 46 ARG HG3 3.350 . 3.350 2.431 2.173 2.686 . 0 0 "[ . 1 . 2]" 1
873 1 46 ARG H 1 47 ALA H 3.350 . 3.350 2.541 2.456 2.610 . 0 0 "[ . 1 . 2]" 1
874 1 46 ARG H 1 47 ALA HA 5.160 . 5.160 5.168 5.091 5.191 0.031 3 0 "[ . 1 . 2]" 1
875 1 46 ARG H 1 47 ALA MB 4.490 . 4.490 4.213 4.151 4.253 . 0 0 "[ . 1 . 2]" 1
876 1 46 ARG H 1 48 VAL H 4.420 . 4.420 4.320 4.119 4.450 0.030 3 0 "[ . 1 . 2]" 1
877 1 46 ARG H 1 48 VAL QG 4.650 . 4.650 4.549 4.300 4.697 0.047 2 0 "[ . 1 . 2]" 1
878 1 46 ARG H 1 55 PHE QD 4.570 . 4.570 3.483 3.053 3.752 . 0 0 "[ . 1 . 2]" 1
879 1 46 ARG H 1 55 PHE QE 5.000 . 5.000 4.333 4.066 4.535 . 0 0 "[ . 1 . 2]" 1
880 1 46 ARG HA 1 46 ARG HD2 4.720 . 4.720 4.698 4.590 4.800 0.080 18 0 "[ . 1 . 2]" 1
881 1 46 ARG HA 1 46 ARG HG2 3.190 . 3.190 2.461 2.393 2.508 . 0 0 "[ . 1 . 2]" 1
882 1 46 ARG HA 1 47 ALA HA 5.500 . 5.500 4.816 4.752 4.840 . 0 0 "[ . 1 . 2]" 1
883 1 46 ARG HA 1 47 ALA MB 5.500 . 5.500 4.990 4.954 5.014 . 0 0 "[ . 1 . 2]" 1
884 1 46 ARG HA 1 48 VAL H 4.690 . 4.690 4.313 4.013 4.716 0.026 11 0 "[ . 1 . 2]" 1
885 1 46 ARG HA 1 55 PHE H 5.480 . 5.480 3.691 3.459 3.892 . 0 0 "[ . 1 . 2]" 1
886 1 46 ARG HA 1 55 PHE HA 4.970 . 4.970 4.778 4.596 4.975 0.005 13 0 "[ . 1 . 2]" 1
887 1 46 ARG HA 1 55 PHE HB3 3.600 . 3.600 2.147 1.996 2.256 . 0 0 "[ . 1 . 2]" 1
888 1 46 ARG HA 1 55 PHE QD 3.740 . 3.740 3.036 2.621 3.279 . 0 0 "[ . 1 . 2]" 1
889 1 46 ARG HA 1 55 PHE QE 5.480 . 5.480 4.997 4.769 5.137 . 0 0 "[ . 1 . 2]" 1
890 1 46 ARG HA 1 56 ASP H 4.650 . 4.650 4.662 4.421 4.754 0.104 19 0 "[ . 1 . 2]" 1
891 1 46 ARG HB2 1 46 ARG HD2 3.910 . 3.910 3.070 2.532 3.646 . 0 0 "[ . 1 . 2]" 1
892 1 46 ARG HB2 1 46 ARG HD3 4.010 . 4.010 2.651 2.398 2.927 . 0 0 "[ . 1 . 2]" 1
893 1 46 ARG HB2 1 47 ALA H 3.960 . 3.960 2.675 2.503 2.911 . 0 0 "[ . 1 . 2]" 1
894 1 46 ARG HB2 1 47 ALA HA 4.820 . 4.820 4.373 4.201 4.521 . 0 0 "[ . 1 . 2]" 1
895 1 46 ARG HB2 1 55 PHE QD 4.290 . 4.290 4.169 3.943 4.306 0.016 7 0 "[ . 1 . 2]" 1
896 1 46 ARG HB2 1 55 PHE QE 5.500 . 5.500 5.546 5.503 5.583 0.083 14 0 "[ . 1 . 2]" 1
897 1 46 ARG HB3 1 46 ARG HD3 3.490 . 3.490 2.547 2.252 2.997 . 0 0 "[ . 1 . 2]" 1
898 1 46 ARG HB3 1 47 ALA H 4.040 . 4.040 3.551 3.263 3.844 . 0 0 "[ . 1 . 2]" 1
899 1 46 ARG HD2 1 55 PHE QD 4.850 . 4.850 3.862 3.045 4.339 . 0 0 "[ . 1 . 2]" 1
900 1 46 ARG HD2 1 55 PHE QE 5.500 . 5.500 4.787 4.010 5.466 . 0 0 "[ . 1 . 2]" 1
901 1 46 ARG HD3 1 47 ALA H 5.500 . 5.500 5.238 4.871 5.465 . 0 0 "[ . 1 . 2]" 1
902 1 46 ARG HE 1 56 ASP H 5.160 . 5.160 4.144 3.711 5.186 0.026 1 0 "[ . 1 . 2]" 1
903 1 46 ARG HG2 1 47 ALA H 4.960 . 4.960 4.949 4.830 5.003 0.043 8 0 "[ . 1 . 2]" 1
904 1 46 ARG HG2 1 55 PHE HB2 5.230 . 5.230 4.103 3.703 4.424 . 0 0 "[ . 1 . 2]" 1
905 1 46 ARG HG2 1 55 PHE HB3 4.910 . 4.910 2.542 2.165 2.833 . 0 0 "[ . 1 . 2]" 1
906 1 46 ARG HG2 1 55 PHE QD 3.830 . 3.830 2.129 1.833 2.515 . 0 0 "[ . 1 . 2]" 1
907 1 46 ARG HG2 1 56 ASP H 4.250 . 4.250 3.812 3.438 4.136 . 0 0 "[ . 1 . 2]" 1
908 1 46 ARG HG3 1 55 PHE HB3 4.830 . 4.830 3.619 3.233 4.056 . 0 0 "[ . 1 . 2]" 1
909 1 46 ARG HG3 1 55 PHE QD 3.800 . 3.800 2.167 2.002 2.434 . 0 0 "[ . 1 . 2]" 1
910 1 46 ARG HG3 1 55 PHE QE 4.890 . 4.890 3.427 3.303 3.595 . 0 0 "[ . 1 . 2]" 1
911 1 47 ALA H 1 47 ALA MB 2.950 . 2.950 2.243 2.206 2.274 . 0 0 "[ . 1 . 2]" 1
912 1 47 ALA H 1 48 VAL H 3.280 . 3.280 2.835 2.701 2.983 . 0 0 "[ . 1 . 2]" 1
913 1 47 ALA H 1 48 VAL QG 4.450 . 4.450 4.121 3.813 4.299 . 0 0 "[ . 1 . 2]" 1
914 1 47 ALA HA 1 48 VAL HA 5.380 . 5.380 4.578 4.492 4.659 . 0 0 "[ . 1 . 2]" 1
915 1 47 ALA HA 1 48 VAL QG 4.920 . 4.920 4.903 4.462 4.958 0.038 2 0 "[ . 1 . 2]" 1
916 1 47 ALA MB 1 48 VAL H 3.920 . 3.920 2.660 2.342 2.952 . 0 0 "[ . 1 . 2]" 1
917 1 47 ALA MB 1 48 VAL QG 5.100 . 5.100 3.705 2.715 3.929 . 0 0 "[ . 1 . 2]" 1
918 1 48 VAL H 1 48 VAL HB 3.180 . 3.180 2.828 2.665 3.458 0.278 11 0 "[ . 1 . 2]" 1
919 1 48 VAL H 1 48 VAL QG 3.150 . 3.150 2.106 1.894 2.176 . 0 0 "[ . 1 . 2]" 1
920 1 48 VAL H 1 49 GLN H 4.590 . 4.590 4.449 4.311 4.560 . 0 0 "[ . 1 . 2]" 1
921 1 48 VAL HA 1 48 VAL QG . . 3.270 2.289 2.244 2.313 . 0 0 "[ . 1 . 2]" 1
922 1 48 VAL HA 1 49 GLN H 2.960 . 2.960 2.055 1.859 2.166 . 0 0 "[ . 1 . 2]" 1
923 1 48 VAL HA 1 49 GLN HA 4.700 . 4.700 4.271 4.000 4.352 . 0 0 "[ . 1 . 2]" 1
924 1 48 VAL HA 1 49 GLN HB3 4.750 . 4.750 4.615 4.149 5.009 0.259 20 0 "[ . 1 . 2]" 1
925 1 48 VAL HA 1 49 GLN HG2 4.450 . 4.450 3.571 2.787 4.233 . 0 0 "[ . 1 . 2]" 1
926 1 48 VAL HA 1 49 GLN HG3 4.640 . 4.640 4.665 4.417 4.859 0.219 17 0 "[ . 1 . 2]" 1
927 1 48 VAL HB 1 49 GLN H 4.850 . 4.850 4.067 2.321 4.316 . 0 0 "[ . 1 . 2]" 1
928 1 48 VAL HB 1 50 GLY H 5.120 . 5.120 4.815 4.477 5.278 0.158 11 0 "[ . 1 . 2]" 1
929 1 48 VAL HB 1 51 ARG HH12 5.490 . 5.490 4.609 3.895 4.919 . 0 0 "[ . 1 . 2]" 1
930 1 48 VAL QG 1 49 GLN H . . 3.820 2.563 2.278 3.040 . 0 0 "[ . 1 . 2]" 1
931 1 48 VAL QG 1 49 GLN HA . . 4.850 3.652 3.451 3.914 . 0 0 "[ . 1 . 2]" 1
932 1 48 VAL QG 1 49 GLN HB2 4.950 . 4.950 4.752 3.962 5.041 0.091 11 0 "[ . 1 . 2]" 1
933 1 48 VAL QG 1 49 GLN HB3 5.310 . 5.310 4.652 4.408 4.823 . 0 0 "[ . 1 . 2]" 1
934 1 48 VAL QG 1 49 GLN HG2 5.470 . 5.470 3.799 3.260 4.221 . 0 0 "[ . 1 . 2]" 1
935 1 48 VAL QG 1 49 GLN HG3 5.500 . 5.500 3.996 3.167 5.083 . 0 0 "[ . 1 . 2]" 1
936 1 48 VAL QG 1 50 GLY H . . 4.710 2.307 1.894 4.773 0.063 11 0 "[ . 1 . 2]" 1
937 1 48 VAL QG 1 50 GLY HA2 5.050 . 5.050 3.351 3.122 5.059 0.009 11 0 "[ . 1 . 2]" 1
938 1 48 VAL QG 1 51 ARG H 4.780 . 4.780 3.840 3.673 4.400 . 0 0 "[ . 1 . 2]" 1
939 1 48 VAL QG 1 51 ARG HE 4.720 . 4.720 4.719 4.591 4.782 0.062 8 0 "[ . 1 . 2]" 1
940 1 48 VAL QG 1 51 ARG HH12 5.500 . 5.500 1.783 1.726 2.024 0.074 10 0 "[ . 1 . 2]" 1
941 1 48 VAL QG 1 55 PHE QD 5.500 . 5.500 4.771 4.642 4.932 . 0 0 "[ . 1 . 2]" 1
942 1 48 VAL QG 1 55 PHE QE 5.500 . 5.500 5.552 5.390 5.594 0.094 10 0 "[ . 1 . 2]" 1
943 1 49 GLN H 1 49 GLN HB2 3.850 . 3.850 3.519 2.424 3.649 . 0 0 "[ . 1 . 2]" 1
944 1 49 GLN H 1 49 GLN HB3 3.630 . 3.630 2.955 2.617 3.496 . 0 0 "[ . 1 . 2]" 1
945 1 49 GLN H 1 49 GLN HE22 5.500 . 5.500 5.331 3.155 5.594 0.094 10 0 "[ . 1 . 2]" 1
946 1 49 GLN H 1 49 GLN HG2 3.830 . 3.830 1.938 1.784 2.555 0.016 15 0 "[ . 1 . 2]" 1
947 1 49 GLN H 1 49 GLN HG3 4.130 . 4.130 2.793 2.421 3.638 . 0 0 "[ . 1 . 2]" 1
948 1 49 GLN HA 1 49 GLN HG2 3.830 . 3.830 3.657 3.147 3.830 . 17 0 "[ . 1 . 2]" 1
949 1 49 GLN HA 1 49 GLN HG3 3.860 . 3.860 3.798 3.717 4.079 0.219 17 0 "[ . 1 . 2]" 1
950 1 49 GLN HA 1 50 GLY HA2 5.280 . 5.280 4.768 4.467 5.359 0.079 5 0 "[ . 1 . 2]" 1
951 1 49 GLN HA 1 51 ARG H 4.290 . 4.290 3.801 3.438 4.244 . 0 0 "[ . 1 . 2]" 1
952 1 49 GLN HB2 1 50 GLY H 4.700 . 4.700 4.064 1.786 4.405 0.014 11 0 "[ . 1 . 2]" 1
953 1 50 GLY H 1 51 ARG HG3 5.490 . 5.490 4.311 3.724 5.503 0.013 8 0 "[ . 1 . 2]" 1
954 1 50 GLY H 1 51 ARG HH12 4.480 . 4.480 2.877 2.423 4.531 0.051 11 0 "[ . 1 . 2]" 1
955 1 50 GLY HA2 1 51 ARG HH11 5.020 . 5.020 5.063 5.030 5.091 0.071 4 0 "[ . 1 . 2]" 1
956 1 50 GLY HA2 1 51 ARG HH12 5.030 . 5.030 5.107 5.061 5.149 0.119 10 0 "[ . 1 . 2]" 1
957 1 50 GLY HA3 1 51 ARG HA 5.500 . 5.500 4.251 4.178 4.334 . 0 0 "[ . 1 . 2]" 1
958 1 50 GLY HA3 1 51 ARG HG3 5.300 . 5.300 3.587 3.308 3.799 . 0 0 "[ . 1 . 2]" 1
959 1 51 ARG H 1 51 ARG HB2 3.720 . 3.720 2.498 2.367 2.645 . 0 0 "[ . 1 . 2]" 1
960 1 51 ARG H 1 51 ARG HD2 4.510 . 4.510 3.034 2.906 3.133 . 0 0 "[ . 1 . 2]" 1
961 1 51 ARG H 1 51 ARG HD3 4.720 . 4.720 4.280 4.200 4.390 . 0 0 "[ . 1 . 2]" 1
962 1 51 ARG H 1 51 ARG HG3 3.650 . 3.650 2.187 1.992 2.446 . 0 0 "[ . 1 . 2]" 1
963 1 51 ARG H 1 52 ARG H 4.840 . 4.840 4.490 4.394 4.575 . 0 0 "[ . 1 . 2]" 1
964 1 51 ARG H 1 53 LYS H 5.060 . 5.060 4.686 4.486 4.848 . 0 0 "[ . 1 . 2]" 1
965 1 51 ARG H 1 58 LEU HG 4.970 . 4.970 5.021 4.979 5.051 0.081 19 0 "[ . 1 . 2]" 1
966 1 51 ARG HA 1 51 ARG HD2 4.480 . 4.480 4.416 4.341 4.467 . 0 0 "[ . 1 . 2]" 1
967 1 51 ARG HA 1 51 ARG HD3 4.970 . 4.970 4.683 4.601 4.773 . 0 0 "[ . 1 . 2]" 1
968 1 51 ARG HA 1 52 ARG H 3.360 . 3.360 2.331 2.157 2.454 . 0 0 "[ . 1 . 2]" 1
969 1 51 ARG HA 1 52 ARG QD 5.080 . 5.080 5.081 4.625 5.179 0.099 13 0 "[ . 1 . 2]" 1
970 1 51 ARG HA 1 53 LYS H 4.130 . 4.130 3.969 3.830 4.172 0.042 17 0 "[ . 1 . 2]" 1
971 1 51 ARG HA 1 58 LEU HG 4.260 . 4.260 4.293 4.171 4.377 0.117 16 0 "[ . 1 . 2]" 1
972 1 51 ARG HB2 1 52 ARG H 4.410 . 4.410 3.363 3.104 3.478 . 0 0 "[ . 1 . 2]" 1
973 1 51 ARG HB2 1 53 LYS H 4.180 . 4.180 2.616 2.370 2.762 . 0 0 "[ . 1 . 2]" 1
974 1 51 ARG HB2 1 58 LEU HG 4.080 . 4.080 3.279 3.000 3.489 . 0 0 "[ . 1 . 2]" 1
975 1 51 ARG HB3 1 51 ARG HD2 3.820 . 3.820 3.159 3.086 3.324 . 0 0 "[ . 1 . 2]" 1
976 1 51 ARG HB3 1 51 ARG HD3 3.860 . 3.860 2.921 2.854 3.090 . 0 0 "[ . 1 . 2]" 1
977 1 51 ARG HB3 1 52 ARG H 3.640 . 3.640 2.366 2.098 2.553 . 0 0 "[ . 1 . 2]" 1
978 1 51 ARG HB3 1 53 LYS H 3.800 . 3.800 2.587 2.407 3.001 . 0 0 "[ . 1 . 2]" 1
979 1 51 ARG HB3 1 58 LEU MD2 4.190 . 4.190 3.230 2.960 3.357 . 0 0 "[ . 1 . 2]" 1
980 1 51 ARG HB3 1 58 LEU HG 3.630 . 3.630 2.333 2.177 2.490 . 0 0 "[ . 1 . 2]" 1
981 1 51 ARG HD2 1 51 ARG HH11 3.870 . 3.870 1.833 1.789 1.950 0.011 15 0 "[ . 1 . 2]" 1
982 1 51 ARG HD2 1 51 ARG HH12 4.450 . 4.450 3.318 3.276 3.413 . 0 0 "[ . 1 . 2]" 1
983 1 51 ARG HD2 1 55 PHE HA 3.580 . 3.580 2.385 2.170 2.623 . 0 0 "[ . 1 . 2]" 1
984 1 51 ARG HD2 1 58 LEU H 5.500 . 5.500 5.170 4.973 5.411 . 0 0 "[ . 1 . 2]" 1
985 1 51 ARG HD2 1 58 LEU HB2 5.480 . 5.480 3.638 3.506 3.756 . 0 0 "[ . 1 . 2]" 1
986 1 51 ARG HD2 1 58 LEU MD1 5.440 . 5.440 3.615 3.510 3.716 . 0 0 "[ . 1 . 2]" 1
987 1 51 ARG HD2 1 58 LEU HG 3.680 . 3.680 3.304 3.213 3.378 . 0 0 "[ . 1 . 2]" 1
988 1 51 ARG HD3 1 51 ARG HH12 5.120 . 5.120 4.725 4.679 4.783 . 0 0 "[ . 1 . 2]" 1
989 1 51 ARG HD3 1 53 LYS HD2 5.380 . 5.380 5.352 4.616 5.581 0.201 8 0 "[ . 1 . 2]" 1
990 1 51 ARG HD3 1 55 PHE HA 3.490 . 3.490 2.271 2.186 2.423 . 0 0 "[ . 1 . 2]" 1
991 1 51 ARG HD3 1 55 PHE QD 3.590 . 3.590 2.721 2.344 2.994 . 0 0 "[ . 1 . 2]" 1
992 1 51 ARG HD3 1 55 PHE QE 4.680 . 4.680 4.587 4.248 4.745 0.065 8 0 "[ . 1 . 2]" 1
993 1 51 ARG HD3 1 58 LEU HB2 2.400 . 2.400 2.508 2.445 2.563 0.163 10 0 "[ . 1 . 2]" 1
994 1 51 ARG HD3 1 58 LEU MD1 5.500 . 5.500 2.148 2.036 2.270 . 0 0 "[ . 1 . 2]" 1
995 1 51 ARG HD3 1 58 LEU MD2 3.620 . 3.620 3.529 3.477 3.576 . 0 0 "[ . 1 . 2]" 1
996 1 51 ARG HD3 1 58 LEU HG 3.870 . 3.870 1.839 1.797 1.903 0.003 14 0 "[ . 1 . 2]" 1
997 1 51 ARG HE 1 55 PHE HA 4.560 . 4.560 3.342 3.203 3.540 . 0 0 "[ . 1 . 2]" 1
998 1 51 ARG HE 1 55 PHE HB2 4.830 . 4.830 3.737 3.645 3.840 . 0 0 "[ . 1 . 2]" 1
999 1 51 ARG HE 1 55 PHE HB3 5.140 . 5.140 5.146 5.008 5.192 0.052 2 0 "[ . 1 . 2]" 1
1000 1 51 ARG HE 1 55 PHE QD 4.030 . 4.030 1.756 1.709 1.788 0.091 11 0 "[ . 1 . 2]" 1
1001 1 51 ARG HE 1 55 PHE QE 5.150 . 5.150 2.980 2.711 3.178 . 0 0 "[ . 1 . 2]" 1
1002 1 51 ARG HE 1 58 LEU MD1 5.500 . 5.500 2.229 2.094 2.392 . 0 0 "[ . 1 . 2]" 1
1003 1 51 ARG HG2 1 51 ARG HH12 4.840 . 4.840 4.936 4.920 4.956 0.116 1 0 "[ . 1 . 2]" 1
1004 1 51 ARG HG2 1 52 ARG H 4.730 . 4.730 4.250 3.975 4.466 . 0 0 "[ . 1 . 2]" 1
1005 1 51 ARG HG2 1 58 LEU MD1 5.010 . 5.010 2.799 2.612 2.939 . 0 0 "[ . 1 . 2]" 1
1006 1 51 ARG HG3 1 51 ARG HH11 4.940 . 4.940 2.401 2.332 2.520 . 0 0 "[ . 1 . 2]" 1
1007 1 51 ARG HG3 1 51 ARG HH12 3.410 . 3.410 3.425 3.375 3.453 0.043 16 0 "[ . 1 . 2]" 1
1008 1 51 ARG HG3 1 52 ARG H 5.500 . 5.500 4.772 4.572 4.930 . 0 0 "[ . 1 . 2]" 1
1009 1 51 ARG HH11 1 53 LYS H 5.450 . 5.450 5.431 5.224 5.566 0.116 17 0 "[ . 1 . 2]" 1
1010 1 51 ARG HH11 1 55 PHE QD 5.030 . 5.030 3.986 3.840 4.121 . 0 0 "[ . 1 . 2]" 1
1011 1 51 ARG HH21 1 55 PHE QD 5.140 . 5.140 2.735 2.487 3.165 . 0 0 "[ . 1 . 2]" 1
1012 1 51 ARG HH22 1 55 PHE QD 5.470 . 5.470 3.764 3.476 4.152 . 0 0 "[ . 1 . 2]" 1
1013 1 51 ARG HH22 1 55 PHE QE 5.500 . 5.500 4.577 4.377 4.748 . 0 0 "[ . 1 . 2]" 1
1014 1 52 ARG H 1 52 ARG HB2 3.760 . 3.760 3.520 2.588 3.684 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ARG H 1 52 ARG QD 5.120 . 5.120 3.508 3.201 3.735 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ARG H 1 52 ARG HG2 4.350 . 4.350 1.961 1.760 2.256 0.040 13 0 "[ . 1 . 2]" 1
1017 1 52 ARG H 1 52 ARG HG3 4.340 . 4.340 3.188 1.898 3.589 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ARG H 1 53 LYS H 3.740 . 3.740 2.525 2.358 2.676 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ARG H 1 58 LEU MD2 5.500 . 5.500 4.224 3.850 4.438 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ARG H 1 58 LEU HG 4.550 . 4.550 4.434 4.081 4.636 0.086 11 0 "[ . 1 . 2]" 1
1021 1 52 ARG HA 1 52 ARG HB2 3.000 . 3.000 2.533 2.359 3.009 0.009 17 0 "[ . 1 . 2]" 1
1022 1 52 ARG HA 1 52 ARG HB3 3.000 . 3.000 2.394 2.257 2.496 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ARG HA 1 52 ARG QD 4.210 . 4.210 4.110 2.305 4.403 0.193 20 0 "[ . 1 . 2]" 1
1024 1 52 ARG HA 1 52 ARG HG2 4.180 . 4.180 3.620 2.819 3.751 . 0 0 "[ . 1 . 2]" 1
1025 1 52 ARG HA 1 52 ARG HG3 4.020 . 4.020 3.850 3.596 3.970 . 0 0 "[ . 1 . 2]" 1
1026 1 52 ARG HA 1 53 LYS H 3.640 . 3.640 3.368 3.195 3.514 . 0 0 "[ . 1 . 2]" 1
1027 1 52 ARG HB2 1 52 ARG QD 3.720 . 3.720 2.700 2.347 3.442 . 0 0 "[ . 1 . 2]" 1
1028 1 52 ARG HB2 1 53 LYS H 4.300 . 4.300 4.108 2.316 4.377 0.077 4 0 "[ . 1 . 2]" 1
1029 1 52 ARG HB2 1 53 LYS QE 4.680 . 4.680 3.894 2.001 4.534 . 0 0 "[ . 1 . 2]" 1
1030 1 52 ARG HB2 1 53 LYS HG2 5.020 . 5.020 4.489 3.561 5.048 0.028 11 0 "[ . 1 . 2]" 1
1031 1 52 ARG HB3 1 52 ARG QD 3.020 . 3.020 2.230 2.069 2.913 . 0 0 "[ . 1 . 2]" 1
1032 1 52 ARG HB3 1 53 LYS QE 4.430 . 4.430 4.419 2.863 4.629 0.199 19 0 "[ . 1 . 2]" 1
1033 1 52 ARG QD 1 52 ARG HG2 2.750 . 2.750 2.219 2.099 2.383 . 0 0 "[ . 1 . 2]" 1
1034 1 52 ARG QD 1 53 LYS H 5.500 . 5.500 4.991 4.707 5.352 . 0 0 "[ . 1 . 2]" 1
1035 1 52 ARG QD 1 53 LYS HD2 5.500 . 5.500 4.869 4.069 5.531 0.031 17 0 "[ . 1 . 2]" 1
1036 1 52 ARG QD 1 53 LYS QE 4.930 . 4.930 2.933 2.199 4.277 . 0 0 "[ . 1 . 2]" 1
1037 1 52 ARG QD 1 58 LEU MD2 5.220 . 5.220 4.919 3.886 5.420 0.200 10 0 "[ . 1 . 2]" 1
1038 1 52 ARG HG2 1 53 LYS H 4.610 . 4.610 3.450 2.935 4.442 . 0 0 "[ . 1 . 2]" 1
1039 1 52 ARG HG2 1 53 LYS QE 3.410 . 3.410 2.820 2.254 3.546 0.136 16 0 "[ . 1 . 2]" 1
1040 1 52 ARG HG3 1 53 LYS H 4.380 . 4.380 3.663 3.054 4.490 0.110 17 0 "[ . 1 . 2]" 1
1041 1 52 ARG HG3 1 53 LYS QE 4.080 . 4.080 2.120 1.839 2.532 . 0 0 "[ . 1 . 2]" 1
1042 1 53 LYS H 1 53 LYS HD2 4.980 . 4.980 3.598 1.782 3.877 0.018 16 0 "[ . 1 . 2]" 1
1043 1 53 LYS H 1 53 LYS HD3 4.850 . 4.850 4.719 3.384 4.882 0.032 12 0 "[ . 1 . 2]" 1
1044 1 53 LYS H 1 53 LYS QE 4.900 . 4.900 4.242 3.300 4.489 . 0 0 "[ . 1 . 2]" 1
1045 1 53 LYS H 1 53 LYS HG2 3.960 . 3.960 3.916 3.595 4.045 0.085 8 0 "[ . 1 . 2]" 1
1046 1 53 LYS H 1 53 LYS HG3 4.380 . 4.380 2.596 2.291 2.918 . 0 0 "[ . 1 . 2]" 1
1047 1 53 LYS H 1 54 ARG H 4.490 . 4.490 4.209 4.153 4.317 . 0 0 "[ . 1 . 2]" 1
1048 1 53 LYS H 1 54 ARG HA 5.390 . 5.390 4.889 4.634 5.247 . 0 0 "[ . 1 . 2]" 1
1049 1 53 LYS H 1 57 VAL MG1 4.020 . 4.020 4.237 4.165 4.285 0.265 4 0 "[ . 1 . 2]" 1
1050 1 53 LYS H 1 58 LEU MD2 4.230 . 4.230 4.199 3.790 4.326 0.096 11 0 "[ . 1 . 2]" 1
1051 1 53 LYS HA 1 53 LYS HB3 2.980 . 2.980 2.362 2.295 2.423 . 0 0 "[ . 1 . 2]" 1
1052 1 53 LYS HA 1 53 LYS HD3 4.950 . 4.950 4.648 4.548 4.767 . 0 0 "[ . 1 . 2]" 1
1053 1 53 LYS HA 1 53 LYS QE 4.960 . 4.960 4.804 4.655 4.997 0.037 13 0 "[ . 1 . 2]" 1
1054 1 53 LYS HA 1 53 LYS HG2 3.950 . 3.950 2.979 2.764 3.974 0.024 16 0 "[ . 1 . 2]" 1
1055 1 53 LYS HA 1 53 LYS HG3 4.080 . 4.080 3.006 2.799 3.158 . 0 0 "[ . 1 . 2]" 1
1056 1 53 LYS HA 1 54 ARG H 2.950 . 2.950 2.585 2.462 2.657 . 0 0 "[ . 1 . 2]" 1
1057 1 53 LYS HA 1 54 ARG HG2 5.010 . 5.010 4.601 4.096 5.054 0.044 20 0 "[ . 1 . 2]" 1
1058 1 53 LYS HA 1 57 VAL MG1 4.980 . 4.980 3.538 3.351 3.935 . 0 0 "[ . 1 . 2]" 1
1059 1 53 LYS HB2 1 53 LYS QE 4.400 . 4.400 3.839 3.779 4.096 . 0 0 "[ . 1 . 2]" 1
1060 1 53 LYS HB2 1 54 ARG H 3.680 . 3.680 3.144 2.497 3.419 . 0 0 "[ . 1 . 2]" 1
1061 1 53 LYS HB2 1 57 VAL MG1 3.410 . 3.410 2.250 1.824 2.382 . 0 0 "[ . 1 . 2]" 1
1062 1 53 LYS HB2 1 57 VAL MG2 4.410 . 4.410 4.372 4.006 4.448 0.038 10 0 "[ . 1 . 2]" 1
1063 1 53 LYS HB3 1 53 LYS HD3 3.560 . 3.560 2.823 2.645 3.605 0.045 16 0 "[ . 1 . 2]" 1
1064 1 53 LYS HB3 1 53 LYS QE 4.830 . 4.830 4.096 3.971 4.569 . 0 0 "[ . 1 . 2]" 1
1065 1 53 LYS HB3 1 54 ARG H 3.670 . 3.670 2.452 2.165 2.654 . 0 0 "[ . 1 . 2]" 1
1066 1 53 LYS HB3 1 57 VAL HB 4.850 . 4.850 4.414 4.248 4.856 0.006 16 0 "[ . 1 . 2]" 1
1067 1 53 LYS HB3 1 57 VAL MG2 4.470 . 4.470 3.599 3.424 4.147 . 0 0 "[ . 1 . 2]" 1
1068 1 53 LYS HD2 1 57 VAL MG1 3.570 . 3.570 3.243 2.632 3.601 0.031 11 0 "[ . 1 . 2]" 1
1069 1 53 LYS HD2 1 58 LEU HA 4.340 . 4.340 3.237 2.869 4.293 . 0 0 "[ . 1 . 2]" 1
1070 1 53 LYS HD2 1 58 LEU MD2 3.460 . 3.460 2.319 1.794 2.900 0.006 10 0 "[ . 1 . 2]" 1
1071 1 53 LYS HD3 1 58 LEU MD2 4.400 . 4.400 3.593 2.544 4.178 . 0 0 "[ . 1 . 2]" 1
1072 1 53 LYS QE 1 53 LYS HG2 3.320 . 3.320 2.518 2.332 3.088 . 0 0 "[ . 1 . 2]" 1
1073 1 53 LYS QE 1 57 VAL MG1 5.500 . 5.500 4.386 3.887 4.575 . 0 0 "[ . 1 . 2]" 1
1074 1 53 LYS QE 1 58 LEU HA 4.990 . 4.990 4.772 3.970 5.048 0.058 7 0 "[ . 1 . 2]" 1
1075 1 53 LYS QE 1 58 LEU MD2 3.990 . 3.990 3.416 2.059 3.980 . 0 0 "[ . 1 . 2]" 1
1076 1 53 LYS HG2 1 54 ARG H 4.600 . 4.600 4.472 4.095 4.639 0.039 16 0 "[ . 1 . 2]" 1
1077 1 54 ARG H 1 54 ARG HB2 3.650 . 3.650 2.828 2.504 3.520 . 0 0 "[ . 1 . 2]" 1
1078 1 54 ARG H 1 54 ARG QD 4.240 . 4.240 3.506 2.711 4.069 . 0 0 "[ . 1 . 2]" 1
1079 1 54 ARG H 1 54 ARG HG2 3.610 . 3.610 2.549 1.836 3.203 . 0 0 "[ . 1 . 2]" 1
1080 1 54 ARG H 1 54 ARG HG3 4.050 . 4.050 2.790 1.928 3.883 . 0 0 "[ . 1 . 2]" 1
1081 1 54 ARG H 1 55 PHE H 5.200 . 5.200 4.568 4.519 4.623 . 0 0 "[ . 1 . 2]" 1
1082 1 54 ARG H 1 56 ASP H 5.500 . 5.500 5.446 5.282 5.585 0.085 12 0 "[ . 1 . 2]" 1
1083 1 54 ARG H 1 57 VAL HB 4.460 . 4.460 4.041 3.772 4.344 . 0 0 "[ . 1 . 2]" 1
1084 1 54 ARG H 1 57 VAL MG1 4.090 . 4.090 2.190 1.937 2.715 . 0 0 "[ . 1 . 2]" 1
1085 1 54 ARG H 1 58 LEU H 5.340 . 5.340 4.685 4.472 5.130 . 0 0 "[ . 1 . 2]" 1
1086 1 54 ARG HA 1 54 ARG QD 4.260 . 4.260 3.275 1.894 4.273 0.013 16 0 "[ . 1 . 2]" 1
1087 1 54 ARG HA 1 54 ARG HG2 4.240 . 4.240 3.131 2.591 3.669 . 0 0 "[ . 1 . 2]" 1
1088 1 54 ARG HA 1 55 PHE H 3.330 . 3.330 2.274 2.162 2.385 . 0 0 "[ . 1 . 2]" 1
1089 1 54 ARG HA 1 55 PHE HB2 4.710 . 4.710 4.582 4.439 4.704 . 0 0 "[ . 1 . 2]" 1
1090 1 54 ARG HA 1 55 PHE HB3 4.510 . 4.510 4.586 4.533 4.634 0.124 7 0 "[ . 1 . 2]" 1
1091 1 54 ARG HA 1 56 ASP H 4.590 . 4.590 4.268 4.074 4.487 . 0 0 "[ . 1 . 2]" 1
1092 1 54 ARG HA 1 57 VAL MG1 5.000 . 5.000 3.766 3.616 4.056 . 0 0 "[ . 1 . 2]" 1
1093 1 54 ARG HB2 1 54 ARG QD 3.500 . 3.500 2.761 2.141 3.307 . 0 0 "[ . 1 . 2]" 1
1094 1 54 ARG HB2 1 55 PHE H 4.480 . 4.480 3.277 2.760 3.680 . 0 0 "[ . 1 . 2]" 1
1095 1 54 ARG HB2 1 56 ASP H 4.010 . 4.010 3.140 2.668 3.717 . 0 0 "[ . 1 . 2]" 1
1096 1 54 ARG HB2 1 56 ASP HB2 5.500 . 5.500 3.580 3.278 4.017 . 0 0 "[ . 1 . 2]" 1
1097 1 54 ARG HB2 1 57 VAL H 4.240 . 4.240 2.583 2.167 3.128 . 0 0 "[ . 1 . 2]" 1
1098 1 54 ARG HB2 1 57 VAL MG1 3.970 . 3.970 2.453 2.020 3.640 . 0 0 "[ . 1 . 2]" 1
1099 1 54 ARG HB2 1 57 VAL MG2 4.710 . 4.710 4.256 3.603 4.939 0.229 18 0 "[ . 1 . 2]" 1
1100 1 54 ARG HB3 1 55 PHE H 5.310 . 5.310 2.569 2.206 3.565 . 0 0 "[ . 1 . 2]" 1
1101 1 54 ARG HB3 1 56 ASP H 4.820 . 4.820 3.185 2.569 4.430 . 0 0 "[ . 1 . 2]" 1
1102 1 54 ARG HB3 1 57 VAL H 4.970 . 4.970 3.784 3.091 4.778 . 0 0 "[ . 1 . 2]" 1
1103 1 54 ARG QD 1 56 ASP H 5.040 . 5.040 4.582 3.751 5.162 0.122 9 0 "[ . 1 . 2]" 1
1104 1 54 ARG QD 1 57 VAL MG1 4.060 . 4.060 3.894 3.557 4.151 0.091 12 0 "[ . 1 . 2]" 1
1105 1 54 ARG QD 1 57 VAL MG2 5.500 . 5.500 4.920 3.592 5.681 0.181 8 0 "[ . 1 . 2]" 1
1106 1 54 ARG HG2 1 57 VAL MG1 4.900 . 4.900 3.537 2.890 4.305 . 0 0 "[ . 1 . 2]" 1
1107 1 54 ARG HG3 1 55 PHE H 4.670 . 4.670 4.700 4.450 4.798 0.128 10 0 "[ . 1 . 2]" 1
1108 1 54 ARG HG3 1 56 ASP H 5.180 . 5.180 4.988 3.987 5.319 0.139 11 0 "[ . 1 . 2]" 1
1109 1 54 ARG HG3 1 57 VAL MG1 4.880 . 4.880 3.206 2.002 4.173 . 0 0 "[ . 1 . 2]" 1
1110 1 55 PHE H 1 55 PHE HB2 4.110 . 4.110 2.783 2.592 2.878 . 0 0 "[ . 1 . 2]" 1
1111 1 55 PHE H 1 55 PHE HB3 4.090 . 4.090 2.345 2.288 2.438 . 0 0 "[ . 1 . 2]" 1
1112 1 55 PHE H 1 55 PHE QD 4.430 . 4.430 4.144 4.081 4.226 . 0 0 "[ . 1 . 2]" 1
1113 1 55 PHE H 1 56 ASP H 4.440 . 4.440 2.555 2.402 2.786 . 0 0 "[ . 1 . 2]" 1
1114 1 55 PHE H 1 57 VAL MG1 4.930 . 4.930 4.198 4.047 4.505 . 0 0 "[ . 1 . 2]" 1
1115 1 55 PHE HA 1 55 PHE QD 3.250 . 3.250 2.402 2.169 2.560 . 0 0 "[ . 1 . 2]" 1
1116 1 55 PHE HA 1 57 VAL MG1 4.030 . 4.030 4.119 4.077 4.188 0.158 16 0 "[ . 1 . 2]" 1
1117 1 55 PHE HA 1 58 LEU H 4.230 . 4.230 3.462 3.314 3.690 . 0 0 "[ . 1 . 2]" 1
1118 1 55 PHE HA 1 58 LEU HB2 4.120 . 4.120 3.001 2.823 3.220 . 0 0 "[ . 1 . 2]" 1
1119 1 55 PHE HA 1 58 LEU HB3 4.250 . 4.250 2.471 2.340 2.613 . 0 0 "[ . 1 . 2]" 1
1120 1 55 PHE HA 1 58 LEU MD1 5.010 . 5.010 3.286 3.144 3.400 . 0 0 "[ . 1 . 2]" 1
1121 1 55 PHE HA 1 59 LEU H 4.770 . 4.770 3.825 3.701 3.953 . 0 0 "[ . 1 . 2]" 1
1122 1 55 PHE HB2 1 56 ASP H 4.000 . 4.000 4.012 3.901 4.052 0.052 20 0 "[ . 1 . 2]" 1
1123 1 55 PHE HB3 1 56 ASP H 3.560 . 3.560 2.763 2.594 2.868 . 0 0 "[ . 1 . 2]" 1
1124 1 55 PHE QD 1 58 LEU HB2 5.100 . 5.100 4.471 4.044 4.733 . 0 0 "[ . 1 . 2]" 1
1125 1 55 PHE QD 1 58 LEU MD1 3.560 . 3.560 2.594 2.151 2.829 . 0 0 "[ . 1 . 2]" 1
1126 1 55 PHE QD 1 59 LEU H 4.700 . 4.700 4.144 3.786 4.341 . 0 0 "[ . 1 . 2]" 1
1127 1 55 PHE QD 1 59 LEU HG 4.170 . 4.170 4.089 3.872 4.225 0.055 13 0 "[ . 1 . 2]" 1
1128 1 55 PHE QE 1 58 LEU MD1 3.280 . 3.280 3.128 2.671 3.297 0.017 2 0 "[ . 1 . 2]" 1
1129 1 55 PHE QE 1 59 LEU MD1 5.500 . 5.500 2.577 2.349 2.921 . 0 0 "[ . 1 . 2]" 1
1130 1 55 PHE QE 1 59 LEU HG 3.220 . 3.220 2.690 2.447 2.877 . 0 0 "[ . 1 . 2]" 1
1131 1 55 PHE HZ 1 59 LEU H 5.500 . 5.500 5.632 5.580 5.708 0.208 4 0 "[ . 1 . 2]" 1
1132 1 55 PHE HZ 1 59 LEU HA 5.480 . 5.480 5.119 4.890 5.302 . 0 0 "[ . 1 . 2]" 1
1133 1 55 PHE HZ 1 59 LEU MD1 5.500 . 5.500 2.468 2.276 2.708 . 0 0 "[ . 1 . 2]" 1
1134 1 55 PHE HZ 1 59 LEU HG 3.490 . 3.490 2.421 2.290 2.609 . 0 0 "[ . 1 . 2]" 1
1135 1 56 ASP H 1 56 ASP HB2 3.460 . 3.460 2.492 2.367 2.826 . 0 0 "[ . 1 . 2]" 1
1136 1 56 ASP H 1 56 ASP HB3 3.500 . 3.500 3.592 3.542 3.630 0.130 19 0 "[ . 1 . 2]" 1
1137 1 56 ASP H 1 57 VAL H 3.370 . 3.370 2.554 2.479 2.615 . 0 0 "[ . 1 . 2]" 1
1138 1 56 ASP H 1 57 VAL HA 5.300 . 5.300 5.200 5.102 5.266 . 0 0 "[ . 1 . 2]" 1
1139 1 56 ASP H 1 57 VAL HB 4.620 . 4.620 4.559 4.378 4.673 0.053 7 0 "[ . 1 . 2]" 1
1140 1 56 ASP H 1 57 VAL MG1 4.470 . 4.470 3.940 3.641 4.207 . 0 0 "[ . 1 . 2]" 1
1141 1 56 ASP H 1 58 LEU H 4.510 . 4.510 3.867 3.795 3.939 . 0 0 "[ . 1 . 2]" 1
1142 1 56 ASP H 1 58 LEU MD1 5.500 . 5.500 5.655 5.604 5.691 0.191 16 0 "[ . 1 . 2]" 1
1143 1 56 ASP H 1 59 LEU H 5.210 . 5.210 4.401 4.359 4.457 . 0 0 "[ . 1 . 2]" 1
1144 1 56 ASP HA 1 57 VAL HA 5.080 . 5.080 4.728 4.636 4.789 . 0 0 "[ . 1 . 2]" 1
1145 1 56 ASP HA 1 59 LEU H 3.940 . 3.940 3.312 3.137 3.509 . 0 0 "[ . 1 . 2]" 1
1146 1 56 ASP HA 1 59 LEU HB2 3.390 . 3.390 2.653 2.511 2.803 . 0 0 "[ . 1 . 2]" 1
1147 1 56 ASP HA 1 59 LEU HB3 3.460 . 3.460 3.367 3.118 3.522 0.062 6 0 "[ . 1 . 2]" 1
1148 1 56 ASP HA 1 59 LEU HG 4.650 . 4.650 4.649 4.531 4.714 0.064 18 0 "[ . 1 . 2]" 1
1149 1 56 ASP HA 1 60 ALA H 4.490 . 4.490 4.080 3.903 4.316 . 0 0 "[ . 1 . 2]" 1
1150 1 56 ASP HB2 1 57 VAL H 4.120 . 4.120 2.438 2.249 2.607 . 0 0 "[ . 1 . 2]" 1
1151 1 56 ASP HB2 1 57 VAL HA 4.150 . 4.150 4.096 3.767 4.229 0.079 11 0 "[ . 1 . 2]" 1
1152 1 56 ASP HB2 1 57 VAL MG1 4.830 . 4.830 4.323 3.871 4.601 . 0 0 "[ . 1 . 2]" 1
1153 1 56 ASP HB2 1 59 LEU H 5.210 . 5.210 5.245 5.206 5.265 0.055 7 0 "[ . 1 . 2]" 1
1154 1 56 ASP HB2 1 60 ALA H 5.500 . 5.500 5.558 5.510 5.592 0.092 4 0 "[ . 1 . 2]" 1
1155 1 56 ASP HB2 1 60 ALA MB 5.340 . 5.340 5.208 5.062 5.276 . 0 0 "[ . 1 . 2]" 1
1156 1 56 ASP HB3 1 57 VAL H 4.100 . 4.100 3.535 3.341 3.670 . 0 0 "[ . 1 . 2]" 1
1157 1 56 ASP HB3 1 57 VAL MG1 5.500 . 5.500 5.350 5.093 5.529 0.029 18 0 "[ . 1 . 2]" 1
1158 1 56 ASP HB3 1 60 ALA MB 5.100 . 5.100 4.591 4.305 5.111 0.011 6 0 "[ . 1 . 2]" 1
1159 1 57 VAL H 1 57 VAL HB 3.160 . 3.160 2.218 2.101 2.320 . 0 0 "[ . 1 . 2]" 1
1160 1 57 VAL H 1 57 VAL MG1 3.170 . 3.170 2.288 2.023 2.513 . 0 0 "[ . 1 . 2]" 1
1161 1 57 VAL H 1 57 VAL MG2 3.940 . 3.940 3.668 3.553 3.735 . 0 0 "[ . 1 . 2]" 1
1162 1 57 VAL H 1 58 LEU HA 5.390 . 5.390 5.038 4.964 5.132 . 0 0 "[ . 1 . 2]" 1
1163 1 57 VAL H 1 59 LEU H 4.570 . 4.570 3.887 3.802 4.017 . 0 0 "[ . 1 . 2]" 1
1164 1 57 VAL H 1 60 ALA MB 4.860 . 4.860 4.565 4.388 4.705 . 0 0 "[ . 1 . 2]" 1
1165 1 57 VAL HA 1 57 VAL MG1 3.090 . 3.090 3.207 3.178 3.229 0.139 4 0 "[ . 1 . 2]" 1
1166 1 57 VAL HA 1 57 VAL MG2 3.280 . 3.280 2.291 2.220 2.343 . 0 0 "[ . 1 . 2]" 1
1167 1 57 VAL HA 1 59 LEU H 4.880 . 4.880 4.445 4.311 4.530 . 0 0 "[ . 1 . 2]" 1
1168 1 57 VAL HA 1 60 ALA H 3.480 . 3.480 3.353 3.133 3.491 0.011 2 0 "[ . 1 . 2]" 1
1169 1 57 VAL HA 1 60 ALA MB 3.400 . 3.400 2.524 2.258 2.674 . 0 0 "[ . 1 . 2]" 1
1170 1 57 VAL HA 1 61 GLU H 4.840 . 4.840 4.658 4.257 4.814 . 0 0 "[ . 1 . 2]" 1
1171 1 57 VAL HB 1 58 LEU H 3.520 . 3.520 3.589 3.523 3.637 0.117 13 0 "[ . 1 . 2]" 1
1172 1 57 VAL HB 1 58 LEU HA 5.500 . 5.500 5.526 5.468 5.566 0.066 8 0 "[ . 1 . 2]" 1
1173 1 57 VAL HB 1 59 LEU H 5.500 . 5.500 5.576 5.504 5.652 0.152 4 0 "[ . 1 . 2]" 1
1174 1 57 VAL MG1 1 58 LEU H 3.710 . 3.710 2.105 2.068 2.173 . 0 0 "[ . 1 . 2]" 1
1175 1 57 VAL MG1 1 59 LEU H 4.340 . 4.340 4.261 4.184 4.332 . 0 0 "[ . 1 . 2]" 1
1176 1 57 VAL MG1 1 61 GLU H 5.470 . 5.470 5.107 4.822 5.365 . 0 0 "[ . 1 . 2]" 1
1177 1 57 VAL MG1 1 61 GLU HG2 5.310 . 5.310 4.944 4.313 5.336 0.026 2 0 "[ . 1 . 2]" 1
1178 1 57 VAL MG2 1 58 LEU HA 4.690 . 4.690 4.380 4.116 4.694 0.004 18 0 "[ . 1 . 2]" 1
1179 1 57 VAL MG2 1 60 ALA MB 5.130 . 5.130 3.366 3.031 3.565 . 0 0 "[ . 1 . 2]" 1
1180 1 57 VAL MG2 1 61 GLU HG2 5.420 . 5.420 4.374 3.316 5.065 . 0 0 "[ . 1 . 2]" 1
1181 1 58 LEU H 1 58 LEU HB2 3.420 . 3.420 2.263 2.237 2.294 . 0 0 "[ . 1 . 2]" 1
1182 1 58 LEU H 1 58 LEU HB3 3.640 . 3.640 2.352 2.295 2.407 . 0 0 "[ . 1 . 2]" 1
1183 1 58 LEU H 1 58 LEU MD1 4.590 . 4.590 3.860 3.787 3.902 . 0 0 "[ . 1 . 2]" 1
1184 1 58 LEU H 1 58 LEU MD2 3.700 . 3.700 3.861 3.841 3.883 0.183 17 0 "[ . 1 . 2]" 1
1185 1 58 LEU H 1 59 LEU H 3.480 . 3.480 2.549 2.506 2.596 . 0 0 "[ . 1 . 2]" 1
1186 1 58 LEU H 1 60 ALA H 4.790 . 4.790 3.764 3.710 3.835 . 0 0 "[ . 1 . 2]" 1
1187 1 58 LEU H 1 61 GLU H 5.480 . 5.480 4.768 4.574 4.872 . 0 0 "[ . 1 . 2]" 1
1188 1 58 LEU HA 1 58 LEU MD1 3.150 . 3.150 3.191 3.105 3.234 0.084 5 0 "[ . 1 . 2]" 1
1189 1 58 LEU HA 1 58 LEU MD2 3.070 . 3.070 1.920 1.874 1.967 . 0 0 "[ . 1 . 2]" 1
1190 1 58 LEU HA 1 58 LEU HG 3.630 . 3.630 3.665 3.648 3.679 0.049 1 0 "[ . 1 . 2]" 1
1191 1 58 LEU HA 1 60 ALA MB 4.410 . 4.410 4.430 4.337 4.477 0.067 13 0 "[ . 1 . 2]" 1
1192 1 58 LEU HA 1 61 GLU H 3.880 . 3.880 3.366 3.259 3.437 . 0 0 "[ . 1 . 2]" 1
1193 1 58 LEU HA 1 61 GLU HB2 3.910 . 3.910 3.238 2.752 3.451 . 0 0 "[ . 1 . 2]" 1
1194 1 58 LEU HA 1 61 GLU HB3 4.700 . 4.700 4.655 4.376 4.738 0.038 11 0 "[ . 1 . 2]" 1
1195 1 58 LEU HA 1 61 GLU HG2 4.470 . 4.470 3.786 2.996 4.167 . 0 0 "[ . 1 . 2]" 1
1196 1 58 LEU HA 1 61 GLU HG3 4.960 . 4.960 2.843 2.322 4.046 . 0 0 "[ . 1 . 2]" 1
1197 1 58 LEU HA 1 62 HIS H 5.200 . 5.200 4.463 4.178 4.658 . 0 0 "[ . 1 . 2]" 1
1198 1 58 LEU HB2 1 59 LEU H 3.570 . 3.570 3.635 3.611 3.664 0.094 8 0 "[ . 1 . 2]" 1
1199 1 58 LEU HB2 1 59 LEU HA 5.500 . 5.500 5.548 5.523 5.570 0.070 18 0 "[ . 1 . 2]" 1
1200 1 58 LEU HB2 1 60 ALA H 5.400 . 5.400 5.424 5.398 5.456 0.056 6 0 "[ . 1 . 2]" 1
1201 1 58 LEU HB3 1 58 LEU MD2 3.230 . 3.230 3.067 3.040 3.094 . 0 0 "[ . 1 . 2]" 1
1202 1 58 LEU HB3 1 59 LEU H 3.860 . 3.860 2.312 2.282 2.347 . 0 0 "[ . 1 . 2]" 1
1203 1 58 LEU MD1 1 59 LEU H 3.420 . 3.420 2.931 2.862 2.976 . 0 0 "[ . 1 . 2]" 1
1204 1 58 LEU MD1 1 59 LEU HA 3.340 . 3.340 2.732 2.656 2.837 . 0 0 "[ . 1 . 2]" 1
1205 1 58 LEU MD1 1 59 LEU HB2 3.690 . 3.690 3.796 3.767 3.821 0.131 16 0 "[ . 1 . 2]" 1
1206 1 58 LEU MD1 1 61 GLU H 5.320 . 5.320 4.470 4.300 4.649 . 0 0 "[ . 1 . 2]" 1
1207 1 58 LEU MD1 1 62 HIS HB2 4.660 . 4.660 3.350 3.052 3.696 . 0 0 "[ . 1 . 2]" 1
1208 1 58 LEU MD1 1 62 HIS HB3 4.590 . 4.590 4.273 4.019 4.566 . 0 0 "[ . 1 . 2]" 1
1209 1 58 LEU MD2 1 59 LEU H 4.270 . 4.270 4.112 4.042 4.242 . 0 0 "[ . 1 . 2]" 1
1210 1 58 LEU MD2 1 60 ALA H 5.200 . 5.200 4.989 4.890 5.107 . 0 0 "[ . 1 . 2]" 1
1211 1 58 LEU MD2 1 61 GLU H 4.430 . 4.430 3.945 3.806 4.081 . 0 0 "[ . 1 . 2]" 1
1212 1 58 LEU MD2 1 61 GLU HA 5.420 . 5.420 5.343 5.179 5.467 0.047 9 0 "[ . 1 . 2]" 1
1213 1 58 LEU MD2 1 61 GLU HB2 4.160 . 4.160 2.758 2.539 2.945 . 0 0 "[ . 1 . 2]" 1
1214 1 58 LEU MD2 1 61 GLU HB3 5.030 . 5.030 3.955 3.732 4.088 . 0 0 "[ . 1 . 2]" 1
1215 1 58 LEU MD2 1 61 GLU HG2 4.310 . 4.310 4.239 3.735 4.473 0.163 5 0 "[ . 1 . 2]" 1
1216 1 58 LEU MD2 1 61 GLU HG3 5.130 . 5.130 3.345 3.068 3.979 . 0 0 "[ . 1 . 2]" 1
1217 1 58 LEU HG 1 59 LEU H 4.850 . 4.850 4.766 4.720 4.807 . 0 0 "[ . 1 . 2]" 1
1218 1 59 LEU H 1 59 LEU HB2 3.230 . 3.230 2.005 1.952 2.074 . 0 0 "[ . 1 . 2]" 1
1219 1 59 LEU H 1 59 LEU HB3 3.470 . 3.470 3.096 3.043 3.172 . 0 0 "[ . 1 . 2]" 1
1220 1 59 LEU H 1 59 LEU MD1 5.390 . 5.390 4.189 4.116 4.269 . 0 0 "[ . 1 . 2]" 1
1221 1 59 LEU H 1 59 LEU MD2 4.370 . 4.370 4.181 4.101 4.228 . 0 0 "[ . 1 . 2]" 1
1222 1 59 LEU H 1 59 LEU HG 3.920 . 3.920 3.823 3.695 3.907 . 0 0 "[ . 1 . 2]" 1
1223 1 59 LEU H 1 60 ALA H 3.330 . 3.330 2.572 2.513 2.608 . 0 0 "[ . 1 . 2]" 1
1224 1 59 LEU H 1 60 ALA HA 5.340 . 5.340 5.191 5.150 5.224 . 0 0 "[ . 1 . 2]" 1
1225 1 59 LEU H 1 60 ALA MB 4.200 . 4.200 4.220 4.150 4.251 0.051 6 0 "[ . 1 . 2]" 1
1226 1 59 LEU H 1 61 GLU H 4.540 . 4.540 4.156 4.084 4.221 . 0 0 "[ . 1 . 2]" 1
1227 1 59 LEU H 1 62 HIS H 5.480 . 5.480 4.612 4.490 4.709 . 0 0 "[ . 1 . 2]" 1
1228 1 59 LEU HA 1 59 LEU MD1 4.200 . 4.200 3.804 3.741 3.827 . 0 0 "[ . 1 . 2]" 1
1229 1 59 LEU HA 1 59 LEU MD2 3.300 . 3.300 2.058 1.970 2.158 . 0 0 "[ . 1 . 2]" 1
1230 1 59 LEU HA 1 59 LEU HG 3.970 . 3.970 2.787 2.730 2.862 . 0 0 "[ . 1 . 2]" 1
1231 1 59 LEU HA 1 61 GLU H 4.110 . 4.110 4.103 4.030 4.162 0.052 13 0 "[ . 1 . 2]" 1
1232 1 59 LEU HA 1 62 HIS H 3.880 . 3.880 2.994 2.943 3.046 . 0 0 "[ . 1 . 2]" 1
1233 1 59 LEU HA 1 62 HIS HA 4.860 . 4.860 4.822 4.736 4.895 0.035 7 0 "[ . 1 . 2]" 1
1234 1 59 LEU HA 1 62 HIS HB2 3.870 . 3.870 2.734 2.621 2.835 . 0 0 "[ . 1 . 2]" 1
1235 1 59 LEU HA 1 62 HIS HB3 4.030 . 4.030 2.489 2.363 2.655 . 0 0 "[ . 1 . 2]" 1
1236 1 59 LEU HA 1 63 LYS H 4.500 . 4.500 3.899 3.730 3.997 . 0 0 "[ . 1 . 2]" 1
1237 1 59 LEU HA 1 63 LYS HG2 4.480 . 4.480 4.013 3.719 4.169 . 0 0 "[ . 1 . 2]" 1
1238 1 59 LEU HB2 1 60 ALA H 3.930 . 3.930 3.312 3.260 3.380 . 0 0 "[ . 1 . 2]" 1
1239 1 59 LEU HB2 1 61 GLU H 5.370 . 5.370 5.387 5.370 5.405 0.035 15 0 "[ . 1 . 2]" 1
1240 1 59 LEU HB3 1 60 ALA H 4.200 . 4.200 2.863 2.792 2.977 . 0 0 "[ . 1 . 2]" 1
1241 1 59 LEU HB3 1 60 ALA HA 4.480 . 4.480 3.824 3.772 3.893 . 0 0 "[ . 1 . 2]" 1
1242 1 59 LEU HB3 1 63 LYS H 4.440 . 4.440 4.530 4.474 4.573 0.133 6 0 "[ . 1 . 2]" 1
1243 1 59 LEU MD1 1 60 ALA H 4.680 . 4.680 4.676 4.642 4.706 0.026 5 0 "[ . 1 . 2]" 1
1244 1 59 LEU MD1 1 60 ALA HA 5.350 . 5.350 5.177 5.069 5.279 . 0 0 "[ . 1 . 2]" 1
1245 1 59 LEU MD1 1 62 HIS HB2 5.500 . 5.500 5.492 5.393 5.533 0.033 18 0 "[ . 1 . 2]" 1
1246 1 59 LEU MD1 1 63 LYS HE3 5.500 . 5.500 5.411 5.115 5.547 0.047 13 0 "[ . 1 . 2]" 1
1247 1 59 LEU MD2 1 60 ALA HA 5.260 . 5.260 4.491 4.397 4.641 . 0 0 "[ . 1 . 2]" 1
1248 1 59 LEU MD2 1 61 GLU H 5.500 . 5.500 5.163 5.080 5.227 . 0 0 "[ . 1 . 2]" 1
1249 1 59 LEU MD2 1 62 HIS H 5.200 . 5.200 3.873 3.772 3.932 . 0 0 "[ . 1 . 2]" 1
1250 1 59 LEU MD2 1 62 HIS HA 5.500 . 5.500 4.521 4.446 4.577 . 0 0 "[ . 1 . 2]" 1
1251 1 59 LEU MD2 1 62 HIS HB2 4.360 . 4.360 2.819 2.689 2.894 . 0 0 "[ . 1 . 2]" 1
1252 1 59 LEU MD2 1 62 HIS HB3 4.740 . 4.740 1.989 1.938 2.059 . 0 0 "[ . 1 . 2]" 1
1253 1 59 LEU MD2 1 62 HIS HD2 4.030 . 4.030 2.157 1.985 2.385 . 0 0 "[ . 1 . 2]" 1
1254 1 59 LEU MD2 1 63 LYS H 4.860 . 4.860 3.234 3.165 3.338 . 0 0 "[ . 1 . 2]" 1
1255 1 59 LEU MD2 1 63 LYS HA 5.060 . 5.060 4.411 4.252 4.523 . 0 0 "[ . 1 . 2]" 1
1256 1 59 LEU MD2 1 63 LYS HB2 5.060 . 5.060 4.402 4.211 4.598 . 0 0 "[ . 1 . 2]" 1
1257 1 59 LEU MD2 1 63 LYS HD2 4.130 . 4.130 3.337 3.159 3.512 . 0 0 "[ . 1 . 2]" 1
1258 1 59 LEU MD2 1 63 LYS HE3 4.360 . 4.360 4.174 4.026 4.317 . 0 0 "[ . 1 . 2]" 1
1259 1 59 LEU MD2 1 63 LYS HG2 4.130 . 4.130 2.225 2.022 2.435 . 0 0 "[ . 1 . 2]" 1
1260 1 59 LEU MD2 1 63 LYS HG3 5.460 . 5.460 3.105 2.892 3.344 . 0 0 "[ . 1 . 2]" 1
1261 1 59 LEU HG 1 62 HIS HB3 5.170 . 5.170 4.315 4.206 4.437 . 0 0 "[ . 1 . 2]" 1
1262 1 60 ALA H 1 60 ALA MB 3.000 . 3.000 2.213 2.186 2.225 . 0 0 "[ . 1 . 2]" 1
1263 1 60 ALA H 1 61 GLU H 3.280 . 3.280 2.697 2.655 2.754 . 0 0 "[ . 1 . 2]" 1
1264 1 60 ALA H 1 61 GLU HB2 4.820 . 4.820 4.810 4.668 4.878 0.058 2 0 "[ . 1 . 2]" 1
1265 1 60 ALA H 1 61 GLU HG2 5.310 . 5.310 5.054 4.406 5.361 0.051 18 0 "[ . 1 . 2]" 1
1266 1 60 ALA H 1 62 HIS H 4.710 . 4.710 3.938 3.883 4.030 . 0 0 "[ . 1 . 2]" 1
1267 1 60 ALA H 1 63 LYS H 5.500 . 5.500 4.586 4.531 4.704 . 0 0 "[ . 1 . 2]" 1
1268 1 60 ALA HA 1 63 LYS H 3.870 . 3.870 3.372 3.219 3.579 . 0 0 "[ . 1 . 2]" 1
1269 1 60 ALA HA 1 63 LYS HB2 3.380 . 3.380 2.931 2.773 3.237 . 0 0 "[ . 1 . 2]" 1
1270 1 60 ALA HA 1 63 LYS HG2 3.980 . 3.980 3.377 3.118 3.709 . 0 0 "[ . 1 . 2]" 1
1271 1 60 ALA HA 1 63 LYS HG3 5.260 . 5.260 3.926 3.667 4.226 . 0 0 "[ . 1 . 2]" 1
1272 1 60 ALA HA 1 64 ASN HD21 4.560 . 4.560 3.831 3.609 4.134 . 0 0 "[ . 1 . 2]" 1
1273 1 60 ALA MB 1 61 GLU H 3.460 . 3.460 2.578 2.508 2.679 . 0 0 "[ . 1 . 2]" 1
1274 1 60 ALA MB 1 61 GLU HA 4.860 . 4.860 3.937 3.900 3.995 . 0 0 "[ . 1 . 2]" 1
1275 1 60 ALA MB 1 61 GLU HG2 4.990 . 4.990 3.644 3.227 3.893 . 0 0 "[ . 1 . 2]" 1
1276 1 60 ALA MB 1 61 GLU HG3 5.160 . 5.160 3.910 3.252 4.928 . 0 0 "[ . 1 . 2]" 1
1277 1 60 ALA MB 1 62 HIS H 4.580 . 4.580 4.416 4.353 4.529 . 0 0 "[ . 1 . 2]" 1
1278 1 60 ALA MB 1 64 ASN HB2 5.120 . 5.120 4.863 4.687 5.082 . 0 0 "[ . 1 . 2]" 1
1279 1 60 ALA MB 1 64 ASN HD22 5.500 . 5.500 3.783 3.594 4.089 . 0 0 "[ . 1 . 2]" 1
1280 1 61 GLU H 1 61 GLU HB2 3.270 . 3.270 2.420 2.229 2.507 . 0 0 "[ . 1 . 2]" 1
1281 1 61 GLU H 1 61 GLU HB3 3.440 . 3.440 3.515 3.500 3.534 0.094 8 0 "[ . 1 . 2]" 1
1282 1 61 GLU H 1 61 GLU HG2 3.490 . 3.490 2.765 2.205 3.045 . 0 0 "[ . 1 . 2]" 1
1283 1 61 GLU H 1 61 GLU HG3 3.790 . 3.790 2.617 1.958 3.802 0.012 14 0 "[ . 1 . 2]" 1
1284 1 61 GLU H 1 62 HIS H 3.620 . 3.620 2.446 2.396 2.509 . 0 0 "[ . 1 . 2]" 1
1285 1 61 GLU H 1 62 HIS HB2 5.000 . 5.000 4.902 4.797 5.003 0.003 20 0 "[ . 1 . 2]" 1
1286 1 61 GLU HA 1 61 GLU HG2 3.750 . 3.750 2.780 2.563 3.201 . 0 0 "[ . 1 . 2]" 1
1287 1 61 GLU HA 1 61 GLU HG3 3.390 . 3.390 3.453 3.287 3.633 0.243 17 0 "[ . 1 . 2]" 1
1288 1 61 GLU HA 1 64 ASN H 4.030 . 4.030 3.317 3.055 3.503 . 0 0 "[ . 1 . 2]" 1
1289 1 61 GLU HA 1 64 ASN HB2 3.420 . 3.420 2.476 2.301 2.653 . 0 0 "[ . 1 . 2]" 1
1290 1 61 GLU HA 1 64 ASN HB3 3.800 . 3.800 3.902 3.857 3.959 0.159 5 0 "[ . 1 . 2]" 1
1291 1 61 GLU HA 1 64 ASN HD21 5.140 . 5.140 3.140 2.788 4.010 . 0 0 "[ . 1 . 2]" 1
1292 1 61 GLU HA 1 64 ASN HD22 4.860 . 4.860 4.562 4.282 4.900 0.040 3 0 "[ . 1 . 2]" 1
1293 1 61 GLU HA 1 65 LYS H 5.500 . 5.500 4.496 4.291 4.674 . 0 0 "[ . 1 . 2]" 1
1294 1 61 GLU HB2 1 62 HIS H 3.900 . 3.900 2.482 2.288 2.708 . 0 0 "[ . 1 . 2]" 1
1295 1 61 GLU HB3 1 62 HIS H 3.840 . 3.840 3.645 3.493 3.750 . 0 0 "[ . 1 . 2]" 1
1296 1 61 GLU HG2 1 62 HIS H 5.020 . 5.020 4.550 4.219 4.761 . 0 0 "[ . 1 . 2]" 1
1297 1 61 GLU HG3 1 62 HIS H 5.490 . 5.490 4.220 3.788 5.066 . 0 0 "[ . 1 . 2]" 1
1298 1 62 HIS H 1 62 HIS HB2 3.780 . 3.780 2.614 2.546 2.667 . 0 0 "[ . 1 . 2]" 1
1299 1 62 HIS H 1 62 HIS HB3 3.210 . 3.210 2.626 2.585 2.662 . 0 0 "[ . 1 . 2]" 1
1300 1 62 HIS H 1 62 HIS HD2 5.000 . 5.000 5.036 5.007 5.074 0.074 5 0 "[ . 1 . 2]" 1
1301 1 62 HIS H 1 63 LYS H 3.740 . 3.740 2.805 2.701 2.893 . 0 0 "[ . 1 . 2]" 1
1302 1 62 HIS HA 1 62 HIS HD2 4.350 . 4.350 4.431 4.375 4.474 0.124 10 0 "[ . 1 . 2]" 1
1303 1 62 HIS HA 1 63 LYS HD2 4.840 . 4.840 4.996 4.945 5.077 0.237 9 0 "[ . 1 . 2]" 1
1304 1 62 HIS HA 1 65 LYS H 4.240 . 4.240 3.305 3.216 3.414 . 0 0 "[ . 1 . 2]" 1
1305 1 62 HIS HA 1 65 LYS HB3 3.680 . 3.680 2.874 2.536 3.272 . 0 0 "[ . 1 . 2]" 1
1306 1 62 HIS HB2 1 62 HIS HD2 3.760 . 3.760 3.549 3.497 3.596 . 0 0 "[ . 1 . 2]" 1
1307 1 62 HIS HB2 1 63 LYS H 3.760 . 3.760 3.784 3.765 3.817 0.057 15 0 "[ . 1 . 2]" 1
1308 1 62 HIS HB3 1 63 LYS H 3.850 . 3.850 2.356 2.298 2.406 . 0 0 "[ . 1 . 2]" 1
1309 1 62 HIS HB3 1 63 LYS HB2 4.990 . 4.990 4.722 4.627 4.820 . 0 0 "[ . 1 . 2]" 1
1310 1 62 HIS HB3 1 66 THR HB 4.840 . 4.840 5.015 4.960 5.087 0.247 10 0 "[ . 1 . 2]" 1
1311 1 62 HIS HD2 1 63 LYS H 4.370 . 4.370 3.749 3.592 3.893 . 0 0 "[ . 1 . 2]" 1
1312 1 62 HIS HD2 1 63 LYS HA 3.980 . 3.980 3.944 3.844 4.024 0.044 12 0 "[ . 1 . 2]" 1
1313 1 62 HIS HD2 1 63 LYS HB2 5.420 . 5.420 5.397 5.236 5.479 0.059 19 0 "[ . 1 . 2]" 1
1314 1 62 HIS HD2 1 63 LYS HD2 5.350 . 5.350 2.608 2.462 2.740 . 0 0 "[ . 1 . 2]" 1
1315 1 62 HIS HD2 1 63 LYS HE3 5.500 . 5.500 3.991 3.733 4.242 . 0 0 "[ . 1 . 2]" 1
1316 1 62 HIS HD2 1 63 LYS HG2 4.240 . 4.240 3.388 3.220 3.526 . 0 0 "[ . 1 . 2]" 1
1317 1 62 HIS HD2 1 63 LYS HG3 4.610 . 4.610 4.469 4.331 4.617 0.007 6 0 "[ . 1 . 2]" 1
1318 1 62 HIS HE1 1 65 LYS HB3 4.730 . 4.730 4.626 4.184 4.784 0.054 12 0 "[ . 1 . 2]" 1
1319 1 62 HIS HE1 1 66 THR H 4.040 . 4.040 3.992 3.711 4.072 0.032 4 0 "[ . 1 . 2]" 1
1320 1 62 HIS HE1 1 66 THR HB 4.250 . 4.250 1.908 1.842 2.034 . 0 0 "[ . 1 . 2]" 1
1321 1 62 HIS HE1 1 66 THR MG 4.450 . 4.450 2.471 2.253 2.901 . 0 0 "[ . 1 . 2]" 1
1322 1 62 HIS HE1 1 67 ARG H 5.430 . 5.430 5.727 5.699 5.770 0.340 15 0 "[ . 1 . 2]" 1
1323 1 63 LYS H 1 63 LYS HB2 2.990 . 2.990 2.510 2.416 2.587 . 0 0 "[ . 1 . 2]" 1
1324 1 63 LYS H 1 63 LYS HD2 4.350 . 4.350 3.141 3.064 3.231 . 0 0 "[ . 1 . 2]" 1
1325 1 63 LYS H 1 63 LYS HE2 4.550 . 4.550 4.680 4.659 4.695 0.145 3 0 "[ . 1 . 2]" 1
1326 1 63 LYS H 1 63 LYS HE3 5.500 . 5.500 5.381 5.320 5.469 . 0 0 "[ . 1 . 2]" 1
1327 1 63 LYS H 1 63 LYS HG2 3.710 . 3.710 1.913 1.808 2.050 . 0 0 "[ . 1 . 2]" 1
1328 1 63 LYS H 1 63 LYS HG3 4.070 . 4.070 3.442 3.354 3.565 . 0 0 "[ . 1 . 2]" 1
1329 1 63 LYS H 1 64 ASN H 3.740 . 3.740 2.688 2.615 2.722 . 0 0 "[ . 1 . 2]" 1
1330 1 63 LYS H 1 64 ASN HB2 4.980 . 4.980 4.654 4.554 4.768 . 0 0 "[ . 1 . 2]" 1
1331 1 63 LYS HA 1 63 LYS HB2 2.900 . 2.900 2.945 2.929 2.960 0.060 11 0 "[ . 1 . 2]" 1
1332 1 63 LYS HA 1 63 LYS HD2 3.320 . 3.320 1.794 1.777 1.813 0.023 5 0 "[ . 1 . 2]" 1
1333 1 63 LYS HA 1 63 LYS HE2 4.450 . 4.450 2.907 2.638 3.050 . 0 0 "[ . 1 . 2]" 1
1334 1 63 LYS HA 1 63 LYS HE3 5.470 . 5.470 3.791 3.701 3.896 . 0 0 "[ . 1 . 2]" 1
1335 1 63 LYS HA 1 63 LYS HG2 4.120 . 4.120 3.175 3.100 3.226 . 0 0 "[ . 1 . 2]" 1
1336 1 63 LYS HA 1 63 LYS HG3 3.590 . 3.590 3.655 3.641 3.670 0.080 17 0 "[ . 1 . 2]" 1
1337 1 63 LYS HA 1 66 THR H 4.470 . 4.470 3.307 2.967 3.527 . 0 0 "[ . 1 . 2]" 1
1338 1 63 LYS HA 1 66 THR HB 4.290 . 4.290 4.184 3.867 4.347 0.057 18 0 "[ . 1 . 2]" 1
1339 1 63 LYS HA 1 66 THR MG 4.640 . 4.640 4.668 4.593 4.714 0.074 12 0 "[ . 1 . 2]" 1
1340 1 63 LYS HA 1 67 ARG H 3.940 . 3.940 2.918 2.567 3.587 . 0 0 "[ . 1 . 2]" 1
1341 1 63 LYS HA 1 67 ARG HG2 4.570 . 4.570 4.593 4.391 4.735 0.165 19 0 "[ . 1 . 2]" 1
1342 1 63 LYS HB2 1 63 LYS HE2 4.370 . 4.370 3.753 3.664 3.879 . 0 0 "[ . 1 . 2]" 1
1343 1 63 LYS HB2 1 64 ASN HA 4.130 . 4.130 4.201 4.164 4.239 0.109 12 0 "[ . 1 . 2]" 1
1344 1 63 LYS HB2 1 64 ASN HD21 4.700 . 4.700 3.906 3.158 4.266 . 0 0 "[ . 1 . 2]" 1
1345 1 63 LYS HB3 1 63 LYS HE2 4.920 . 4.920 2.214 2.109 2.347 . 0 0 "[ . 1 . 2]" 1
1346 1 63 LYS HD2 1 66 THR MG 4.370 . 4.370 4.368 4.193 4.433 0.063 10 0 "[ . 1 . 2]" 1
1347 1 63 LYS HD2 1 67 ARG H 3.720 . 3.720 4.051 3.925 4.204 0.484 16 0 "[ . 1 . 2]" 1
1348 1 63 LYS HE2 1 63 LYS HG3 4.020 . 4.020 2.757 2.601 2.993 . 0 0 "[ . 1 . 2]" 1
1349 1 63 LYS HE2 1 66 THR MG 5.310 . 5.310 5.312 4.826 5.419 0.109 3 0 "[ . 1 . 2]" 1
1350 1 63 LYS HE2 1 67 ARG HA 4.630 . 4.630 1.856 1.763 2.044 0.037 10 0 "[ . 1 . 2]" 1
1351 1 63 LYS HE2 1 67 ARG HB2 4.580 . 4.580 3.650 2.855 4.329 . 0 0 "[ . 1 . 2]" 1
1352 1 63 LYS HE3 1 66 THR MG 5.500 . 5.500 4.635 4.238 4.931 . 0 0 "[ . 1 . 2]" 1
1353 1 63 LYS HE3 1 69 LYS HD2 4.160 . 4.160 3.845 2.877 4.209 0.049 5 0 "[ . 1 . 2]" 1
1354 1 63 LYS HG3 1 64 ASN H 5.240 . 5.240 5.155 5.044 5.258 0.018 8 0 "[ . 1 . 2]" 1
1355 1 64 ASN H 1 64 ASN HB2 3.120 . 3.120 2.150 2.096 2.208 . 0 0 "[ . 1 . 2]" 1
1356 1 64 ASN H 1 64 ASN HB3 3.640 . 3.640 3.499 3.460 3.548 . 0 0 "[ . 1 . 2]" 1
1357 1 64 ASN H 1 64 ASN HD22 5.500 . 5.500 4.177 4.009 4.322 . 0 0 "[ . 1 . 2]" 1
1358 1 64 ASN HA 1 64 ASN HB2 2.890 . 2.890 2.912 2.889 2.940 0.050 6 0 "[ . 1 . 2]" 1
1359 1 64 ASN HA 1 64 ASN HD22 5.360 . 5.360 3.962 3.581 4.046 . 0 0 "[ . 1 . 2]" 1
1360 1 64 ASN HA 1 67 ARG HB2 4.540 . 4.540 4.552 3.878 4.797 0.257 4 0 "[ . 1 . 2]" 1
1361 1 64 ASN HA 1 67 ARG QD 4.830 . 4.830 4.401 3.776 4.931 0.101 4 0 "[ . 1 . 2]" 1
1362 1 64 ASN HA 1 67 ARG HG2 4.540 . 4.540 4.635 4.547 4.691 0.151 9 0 "[ . 1 . 2]" 1
1363 1 64 ASN HB2 1 65 LYS H 4.090 . 4.090 3.217 3.096 3.338 . 0 0 "[ . 1 . 2]" 1
1364 1 64 ASN HB2 1 65 LYS HA 5.220 . 5.220 5.161 5.060 5.231 0.011 5 0 "[ . 1 . 2]" 1
1365 1 64 ASN HB3 1 65 LYS H 4.170 . 4.170 3.613 3.475 3.722 . 0 0 "[ . 1 . 2]" 1
1366 1 64 ASN HB3 1 65 LYS HA 4.920 . 4.920 4.491 4.330 4.589 . 0 0 "[ . 1 . 2]" 1
1367 1 64 ASN HB3 1 65 LYS HB2 4.830 . 4.830 4.779 4.597 4.882 0.052 10 0 "[ . 1 . 2]" 1
1368 1 65 LYS H 1 65 LYS HG3 4.190 . 4.190 4.253 4.208 4.339 0.149 7 0 "[ . 1 . 2]" 1
1369 1 65 LYS HA 1 65 LYS HB2 2.800 . 2.800 2.451 2.391 2.527 . 0 0 "[ . 1 . 2]" 1
1370 1 65 LYS HA 1 65 LYS HD3 3.990 . 3.990 3.225 2.126 4.107 0.117 4 0 "[ . 1 . 2]" 1
1371 1 65 LYS HA 1 65 LYS HG2 3.740 . 3.740 3.710 2.887 3.819 0.079 19 0 "[ . 1 . 2]" 1
1372 1 65 LYS HA 1 65 LYS HG3 3.850 . 3.850 2.793 2.278 3.014 . 0 0 "[ . 1 . 2]" 1
1373 1 65 LYS HB3 1 66 THR H 2.990 . 2.990 2.023 1.900 2.170 . 0 0 "[ . 1 . 2]" 1
1374 1 65 LYS HB3 1 66 THR HB 4.900 . 4.900 3.828 3.632 4.069 . 0 0 "[ . 1 . 2]" 1
1375 1 65 LYS HB3 1 66 THR MG 5.200 . 5.200 4.941 4.760 5.177 . 0 0 "[ . 1 . 2]" 1
1376 1 65 LYS HD3 1 65 LYS HG2 2.860 . 2.860 2.657 2.400 2.990 0.130 14 0 "[ . 1 . 2]" 1
1377 1 65 LYS HG2 1 66 THR H 4.070 . 4.070 3.745 3.300 3.913 . 0 0 "[ . 1 . 2]" 1
1378 1 65 LYS HG2 1 66 THR HA 5.000 . 5.000 4.961 3.776 5.104 0.104 17 0 "[ . 1 . 2]" 1
1379 1 65 LYS HG3 1 66 THR H 4.720 . 4.720 3.260 2.910 4.424 . 0 0 "[ . 1 . 2]" 1
1380 1 66 THR H 1 66 THR HB 3.060 . 3.060 2.509 2.448 2.593 . 0 0 "[ . 1 . 2]" 1
1381 1 66 THR H 1 66 THR MG 3.960 . 3.960 3.782 3.733 3.834 . 0 0 "[ . 1 . 2]" 1
1382 1 66 THR HA 1 66 THR MG 3.220 . 3.220 2.333 2.284 2.408 . 0 0 "[ . 1 . 2]" 1
1383 1 66 THR HA 1 67 ARG H 3.480 . 3.480 2.315 1.826 2.674 . 0 0 "[ . 1 . 2]" 1
1384 1 66 THR HB 1 67 ARG H 3.870 . 3.870 3.860 3.745 3.902 0.032 11 0 "[ . 1 . 2]" 1
1385 1 66 THR HB 1 68 GLU H 4.760 . 4.760 4.156 3.675 4.768 0.008 15 0 "[ . 1 . 2]" 1
1386 1 66 THR MG 1 67 ARG H 4.660 . 4.660 3.691 2.998 3.963 . 0 0 "[ . 1 . 2]" 1
1387 1 66 THR MG 1 67 ARG HA 4.810 . 4.810 4.542 4.192 4.853 0.043 8 0 "[ . 1 . 2]" 1
1388 1 66 THR MG 1 68 GLU HG2 5.500 . 5.500 4.650 4.149 5.559 0.059 15 0 "[ . 1 . 2]" 1
1389 1 66 THR MG 1 68 GLU HG3 5.500 . 5.500 3.475 2.882 4.390 . 0 0 "[ . 1 . 2]" 1
1390 1 66 THR MG 1 69 LYS HA 5.110 . 5.110 5.009 4.593 5.206 0.096 8 0 "[ . 1 . 2]" 1
1391 1 67 ARG H 1 67 ARG HB2 3.740 . 3.740 3.354 2.264 3.730 . 0 0 "[ . 1 . 2]" 1
1392 1 67 ARG H 1 67 ARG QD 5.330 . 5.330 4.124 3.974 4.337 . 0 0 "[ . 1 . 2]" 1
1393 1 67 ARG H 1 68 GLU H 4.480 . 4.480 3.071 2.628 3.401 . 0 0 "[ . 1 . 2]" 1
1394 1 67 ARG HA 1 67 ARG QD 5.140 . 5.140 3.815 1.953 4.526 . 0 0 "[ . 1 . 2]" 1
1395 1 67 ARG HA 1 67 ARG HG2 3.890 . 3.890 3.623 3.475 3.788 . 0 0 "[ . 1 . 2]" 1
1396 1 67 ARG HA 1 67 ARG HG3 3.750 . 3.750 3.698 3.476 3.807 0.057 5 0 "[ . 1 . 2]" 1
1397 1 67 ARG HA 1 68 GLU H 3.290 . 3.290 3.214 3.056 3.376 0.086 15 0 "[ . 1 . 2]" 1
1398 1 67 ARG HB2 1 67 ARG HG2 2.830 . 2.830 2.693 2.039 2.923 0.093 11 0 "[ . 1 . 2]" 1
1399 1 67 ARG HB2 1 68 GLU H 5.080 . 5.080 4.464 3.816 4.716 . 0 0 "[ . 1 . 2]" 1
1400 1 67 ARG QD 1 68 GLU HG3 5.500 . 5.500 5.228 4.570 5.632 0.132 18 0 "[ . 1 . 2]" 1
1401 1 67 ARG HG3 1 68 GLU HG2 5.500 . 5.500 4.418 3.423 5.540 0.040 16 0 "[ . 1 . 2]" 1
1402 1 68 GLU H 1 68 GLU HB2 3.900 . 3.900 2.563 2.373 3.816 . 0 0 "[ . 1 . 2]" 1
1403 1 68 GLU H 1 68 GLU HB3 3.540 . 3.540 3.554 3.428 3.609 0.069 7 0 "[ . 1 . 2]" 1
1404 1 68 GLU H 1 68 GLU HG2 4.450 . 4.450 3.646 3.225 4.010 . 0 0 "[ . 1 . 2]" 1
1405 1 68 GLU H 1 68 GLU HG3 4.700 . 4.700 2.438 1.862 2.813 . 0 0 "[ . 1 . 2]" 1
1406 1 68 GLU H 1 69 LYS H 4.150 . 4.150 4.159 3.867 4.291 0.141 9 0 "[ . 1 . 2]" 1
1407 1 68 GLU HA 1 68 GLU HG2 3.930 . 3.930 2.723 2.455 4.113 0.183 2 0 "[ . 1 . 2]" 1
1408 1 68 GLU HA 1 69 LYS H 3.100 . 3.100 2.144 1.973 2.386 . 0 0 "[ . 1 . 2]" 1
1409 1 68 GLU HG2 1 69 LYS H 5.500 . 5.500 4.613 3.895 5.451 . 0 0 "[ . 1 . 2]" 1
1410 1 68 GLU HG3 1 69 LYS H 5.380 . 5.380 5.035 4.664 5.306 . 0 0 "[ . 1 . 2]" 1
1411 1 69 LYS H 1 69 LYS HB2 3.880 . 3.880 2.999 2.485 3.377 . 0 0 "[ . 1 . 2]" 1
1412 1 69 LYS H 1 69 LYS HB3 3.180 . 3.180 2.634 2.409 2.874 . 0 0 "[ . 1 . 2]" 1
1413 1 69 LYS H 1 69 LYS HD2 5.500 . 5.500 5.101 4.665 5.548 0.048 18 0 "[ . 1 . 2]" 1
1414 1 69 LYS HA 1 69 LYS HB2 2.940 . 2.940 2.468 2.248 2.536 . 0 0 "[ . 1 . 2]" 1
1415 1 69 LYS HA 1 69 LYS HD2 4.030 . 4.030 3.366 2.111 4.196 0.166 10 0 "[ . 1 . 2]" 1
1416 1 69 LYS HA 1 69 LYS HG3 3.340 . 3.340 2.759 2.431 3.299 . 0 0 "[ . 1 . 2]" 1
1417 1 69 LYS HB2 1 70 GLU H 4.240 . 4.240 4.065 3.643 4.283 0.043 7 0 "[ . 1 . 2]" 1
1418 1 69 LYS HB3 1 70 GLU H 4.250 . 4.250 3.756 2.203 4.223 . 0 0 "[ . 1 . 2]" 1
1419 1 69 LYS HD3 1 70 GLU H 5.120 . 5.120 4.499 3.687 5.098 . 0 0 "[ . 1 . 2]" 1
1420 1 69 LYS QE 1 69 LYS HG3 3.510 . 3.510 2.688 2.343 3.069 . 0 0 "[ . 1 . 2]" 1
1421 1 69 LYS QE 1 70 GLU H 4.560 . 4.560 4.296 3.130 4.653 0.093 12 0 "[ . 1 . 2]" 1
1422 1 69 LYS HG3 1 70 GLU H 4.280 . 4.280 2.719 1.765 4.016 0.035 9 0 "[ . 1 . 2]" 1
1423 1 70 GLU H 1 70 GLU HB2 3.900 . 3.900 2.600 2.269 3.706 . 0 0 "[ . 1 . 2]" 1
1424 1 70 GLU H 1 70 GLU HB3 3.510 . 3.510 3.332 2.412 3.709 0.199 12 0 "[ . 1 . 2]" 1
1425 1 70 GLU H 1 70 GLU HG2 4.970 . 4.970 3.276 2.110 4.584 . 0 0 "[ . 1 . 2]" 1
1426 1 70 GLU H 1 70 GLU HG3 4.530 . 4.530 3.504 2.362 4.549 0.019 19 0 "[ . 1 . 2]" 1
1427 1 70 GLU HA 1 70 GLU HG2 3.540 . 3.540 3.203 2.316 3.662 0.122 3 0 "[ . 1 . 2]" 1
1428 1 70 GLU HA 1 70 GLU HG3 3.940 . 3.940 3.213 2.414 3.865 . 0 0 "[ . 1 . 2]" 1
1429 1 70 GLU HB2 1 70 GLU HG2 2.810 . 2.810 2.586 2.345 2.951 0.141 12 0 "[ . 1 . 2]" 1
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