NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626406 |
6ckq   |
30421 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ckq
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 1408
_Distance_constraint_stats_list.Viol_count 2540
_Distance_constraint_stats_list.Viol_total 7237.850
_Distance_constraint_stats_list.Viol_max 0.318
_Distance_constraint_stats_list.Viol_rms 0.0491
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0129
_Distance_constraint_stats_list.Viol_average_violations_only 0.1425
_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 6 LYS 2.874 0.318 5 0 "[ . 1 . 2]"
1 7 LYS 2.874 0.318 5 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 4.276 0.262 19 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 10.112 0.278 20 0 "[ . 1 . 2]"
1 13 SER 4.747 0.296 13 0 "[ . 1 . 2]"
1 14 ARG 1.274 0.245 8 0 "[ . 1 . 2]"
1 15 GLU 0.241 0.106 16 0 "[ . 1 . 2]"
1 16 LEU 0.658 0.277 19 0 "[ . 1 . 2]"
1 17 ALA 1.116 0.258 4 0 "[ . 1 . 2]"
1 18 THR 1.026 0.258 4 0 "[ . 1 . 2]"
1 19 GLN 6.360 0.292 10 0 "[ . 1 . 2]"
1 20 GLY 2.201 0.224 17 0 "[ . 1 . 2]"
1 21 LEU 2.079 0.257 13 0 "[ . 1 . 2]"
1 22 TYR 4.711 0.230 20 0 "[ . 1 . 2]"
1 23 GLN 15.598 0.282 19 0 "[ . 1 . 2]"
1 24 TRP 11.127 0.265 12 0 "[ . 1 . 2]"
1 25 LEU 0.392 0.211 12 0 "[ . 1 . 2]"
1 26 LEU 9.506 0.262 20 0 "[ . 1 . 2]"
1 27 SER 1.729 0.240 6 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 11.762 0.265 12 0 "[ . 1 . 2]"
1 30 ALA 7.811 0.288 8 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 9.663 0.288 8 0 "[ . 1 . 2]"
1 34 ILE 16.206 0.257 13 0 "[ . 1 . 2]"
1 35 ASP 2.450 0.244 17 0 "[ . 1 . 2]"
1 36 ALA 9.995 0.290 18 0 "[ . 1 . 2]"
1 37 GLN 6.175 0.295 18 0 "[ . 1 . 2]"
1 38 LEU 5.364 0.309 19 0 "[ . 1 . 2]"
1 39 ARG 5.103 0.263 19 0 "[ . 1 . 2]"
1 40 GLY 0.545 0.161 10 0 "[ . 1 . 2]"
1 41 ALA 4.817 0.309 19 0 "[ . 1 . 2]"
1 42 LEU 2.249 0.283 9 0 "[ . 1 . 2]"
1 43 GLY 0.432 0.217 19 0 "[ . 1 . 2]"
1 44 TYR 10.195 0.283 9 0 "[ . 1 . 2]"
1 45 ASP 5.832 0.273 15 0 "[ . 1 . 2]"
1 46 LYS 3.345 0.270 5 0 "[ . 1 . 2]"
1 47 ALA 10.912 0.278 20 0 "[ . 1 . 2]"
1 48 ASP 6.140 0.296 13 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 2.515 0.223 5 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 1.189 0.224 18 0 "[ . 1 . 2]"
1 53 ASP 4.793 0.288 1 0 "[ . 1 . 2]"
1 54 THR 4.173 0.288 1 0 "[ . 1 . 2]"
1 55 ILE 5.075 0.288 9 0 "[ . 1 . 2]"
1 56 LEU 6.880 0.251 15 0 "[ . 1 . 2]"
1 57 HIS 4.227 0.254 17 0 "[ . 1 . 2]"
1 58 GLY 2.923 0.286 13 0 "[ . 1 . 2]"
1 59 VAL 5.058 0.251 20 0 "[ . 1 . 2]"
1 60 ILE 6.437 0.233 5 0 "[ . 1 . 2]"
1 61 ARG 1.299 0.243 17 0 "[ . 1 . 2]"
1 62 GLU 1.695 0.243 17 0 "[ . 1 . 2]"
1 63 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 1.575 0.207 9 0 "[ . 1 . 2]"
1 66 LEU 12.774 0.286 9 0 "[ . 1 . 2]"
1 67 ALA 9.791 0.285 2 0 "[ . 1 . 2]"
1 68 GLU 0.855 0.284 16 0 "[ . 1 . 2]"
1 69 ALA 1.240 0.138 20 0 "[ . 1 . 2]"
1 70 ILE 12.166 0.287 6 0 "[ . 1 . 2]"
1 71 SER 4.382 0.230 12 0 "[ . 1 . 2]"
1 72 PRO 2.796 0.256 4 0 "[ . 1 . 2]"
1 73 SER 2.250 0.225 8 0 "[ . 1 . 2]"
1 74 LEU 5.070 0.287 6 0 "[ . 1 . 2]"
1 75 ASP 0.030 0.030 2 0 "[ . 1 . 2]"
1 76 ARG 0.845 0.231 17 0 "[ . 1 . 2]"
1 77 PRO 2.072 0.245 19 0 "[ . 1 . 2]"
1 78 ILE 8.912 0.245 19 0 "[ . 1 . 2]"
1 79 ASP 0.016 0.016 12 0 "[ . 1 . 2]"
1 80 GLN 0.447 0.104 10 0 "[ . 1 . 2]"
1 81 LEU 7.967 0.281 20 0 "[ . 1 . 2]"
1 82 SER 1.187 0.244 3 0 "[ . 1 . 2]"
1 84 VAL 7.327 0.241 9 0 "[ . 1 . 2]"
1 85 GLU 0.368 0.236 10 0 "[ . 1 . 2]"
1 86 ARG 0.888 0.235 16 0 "[ . 1 . 2]"
1 87 ALA 0.105 0.052 4 0 "[ . 1 . 2]"
1 88 VAL 1.060 0.216 17 0 "[ . 1 . 2]"
1 89 LEU 19.841 0.292 10 0 "[ . 1 . 2]"
1 90 LEU 0.484 0.239 17 0 "[ . 1 . 2]"
1 91 ILE 2.596 0.243 14 0 "[ . 1 . 2]"
1 92 ALA 8.267 0.287 3 0 "[ . 1 . 2]"
1 93 THR 0.350 0.150 4 0 "[ . 1 . 2]"
1 94 TYR 19.735 0.288 9 0 "[ . 1 . 2]"
1 95 GLU 14.181 0.293 14 0 "[ . 1 . 2]"
1 96 LEU 1.491 0.221 14 0 "[ . 1 . 2]"
1 97 THR 0.476 0.207 18 0 "[ . 1 . 2]"
1 98 HIS 0.837 0.232 15 0 "[ . 1 . 2]"
1 99 GLN 12.637 0.288 11 0 "[ . 1 . 2]"
1 100 ILE 9.669 0.276 18 0 "[ . 1 . 2]"
1 101 GLU 4.983 0.261 5 0 "[ . 1 . 2]"
1 102 THR 6.175 0.289 18 0 "[ . 1 . 2]"
1 103 PRO 3.505 0.230 15 0 "[ . 1 . 2]"
1 104 TYR 20.599 0.288 8 0 "[ . 1 . 2]"
1 105 ARG 9.660 0.277 18 0 "[ . 1 . 2]"
1 106 VAL 12.578 0.289 18 0 "[ . 1 . 2]"
1 107 ILE 15.274 0.293 14 0 "[ . 1 . 2]"
1 108 ILE 10.537 0.287 2 0 "[ . 1 . 2]"
1 109 ASN 6.102 0.234 1 0 "[ . 1 . 2]"
1 110 GLU 0.223 0.118 12 0 "[ . 1 . 2]"
1 111 ALA 2.683 0.215 5 0 "[ . 1 . 2]"
1 112 VAL 7.906 0.281 8 0 "[ . 1 . 2]"
1 113 GLU 6.062 0.233 4 0 "[ . 1 . 2]"
1 114 LEU 10.381 0.282 9 0 "[ . 1 . 2]"
1 115 ALA 4.839 0.290 6 0 "[ . 1 . 2]"
1 117 THR 1.316 0.230 6 0 "[ . 1 . 2]"
1 118 PHE 9.033 0.282 9 0 "[ . 1 . 2]"
1 119 GLY 4.623 0.262 15 0 "[ . 1 . 2]"
1 120 GLY 0.228 0.153 13 0 "[ . 1 . 2]"
1 121 SER 1.491 0.235 10 0 "[ . 1 . 2]"
1 122 ASP 0.336 0.053 17 0 "[ . 1 . 2]"
1 123 GLY 2.472 0.290 6 0 "[ . 1 . 2]"
1 124 TYR 9.904 0.285 19 0 "[ . 1 . 2]"
1 125 LYS 4.334 0.247 10 0 "[ . 1 . 2]"
1 126 TYR 4.758 0.203 8 0 "[ . 1 . 2]"
1 127 VAL 4.512 0.203 8 0 "[ . 1 . 2]"
1 128 ASN 4.999 0.247 12 0 "[ . 1 . 2]"
1 129 GLY 4.775 0.285 12 0 "[ . 1 . 2]"
1 130 VAL 7.334 0.247 12 0 "[ . 1 . 2]"
1 131 LEU 23.686 0.287 3 0 "[ . 1 . 2]"
1 132 ASP 0.447 0.263 18 0 "[ . 1 . 2]"
1 133 LYS 0.962 0.263 18 0 "[ . 1 . 2]"
1 135 ALA 7.047 0.275 9 0 "[ . 1 . 2]"
1 136 VAL 7.137 0.275 2 0 "[ . 1 . 2]"
1 137 LYS 4.605 0.269 18 0 "[ . 1 . 2]"
1 138 LEU 0.922 0.241 3 0 "[ . 1 . 2]"
1 139 ARG 0.510 0.229 4 0 "[ . 1 . 2]"
1 140 PRO 0.267 0.267 5 0 "[ . 1 . 2]"
1 141 ALA 2.213 0.245 10 0 "[ . 1 . 2]"
1 142 GLU 8.072 0.252 18 0 "[ . 1 . 2]"
1 143 THR 7.416 0.257 15 0 "[ . 1 . 2]"
1 144 GLN 4.412 0.289 13 0 "[ . 1 . 2]"
1 145 ALA 5.511 0.257 15 0 "[ . 1 . 2]"
1 146 ARG 4.173 0.224 9 0 "[ . 1 . 2]"
1 147 ARG 1.602 0.209 6 0 "[ . 1 . 2]"
1 148 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 GLY HA2 1 89 LEU MD1 5.500 . 5.500 3.254 2.392 3.929 . 0 0 "[ . 1 . 2]" 1
2 1 20 GLY HA2 1 89 LEU MD2 5.500 . 5.500 3.433 2.502 4.350 . 0 0 "[ . 1 . 2]" 1
3 1 20 GLY HA3 1 89 LEU MD1 5.500 . 5.500 4.476 3.071 5.316 . 0 0 "[ . 1 . 2]" 1
4 1 20 GLY HA3 1 89 LEU MD2 5.500 . 5.500 4.405 2.749 5.616 0.116 5 0 "[ . 1 . 2]" 1
5 1 23 GLN H 1 23 GLN HB2 4.030 . 4.030 2.566 2.299 2.713 . 0 0 "[ . 1 . 2]" 1
6 1 23 GLN HB2 1 24 TRP H 4.380 . 4.380 3.966 3.703 4.130 . 0 0 "[ . 1 . 2]" 1
7 1 23 GLN HB3 1 24 TRP H 4.230 . 4.230 2.724 2.532 2.959 . 0 0 "[ . 1 . 2]" 1
8 1 19 GLN HA 1 19 GLN HG2 3.960 . 3.960 3.106 2.536 4.169 0.209 10 0 "[ . 1 . 2]" 1
9 1 19 GLN HA 1 23 GLN H 4.260 . 4.260 4.040 3.869 4.204 . 0 0 "[ . 1 . 2]" 1
10 1 19 GLN HA 1 22 TYR H 4.360 . 4.360 3.603 3.373 3.999 . 0 0 "[ . 1 . 2]" 1
11 1 19 GLN HA 1 19 GLN HG3 3.960 . 3.960 3.577 2.938 3.839 . 0 0 "[ . 1 . 2]" 1
12 1 18 THR H 1 18 THR MG 4.210 . 4.210 2.343 2.121 3.354 . 0 0 "[ . 1 . 2]" 1
13 1 18 THR HA 1 18 THR MG 3.570 . 3.570 2.893 2.259 3.230 . 0 0 "[ . 1 . 2]" 1
14 1 16 LEU H 1 17 ALA MB 4.380 . 4.380 4.317 4.152 4.472 0.092 12 0 "[ . 1 . 2]" 1
15 1 17 ALA MB 1 18 THR H 3.920 . 3.920 2.541 2.321 2.924 . 0 0 "[ . 1 . 2]" 1
16 1 131 LEU H 1 131 LEU MD1 4.420 . 4.420 3.702 3.562 3.830 . 0 0 "[ . 1 . 2]" 1
17 1 131 LEU H 1 131 LEU MD2 4.600 . 4.600 3.315 3.126 3.452 . 0 0 "[ . 1 . 2]" 1
18 1 92 ALA MB 1 131 LEU MD1 3.850 . 3.850 3.607 3.042 4.043 0.193 10 0 "[ . 1 . 2]" 1
19 1 23 GLN HB2 1 89 LEU HG 4.930 . 4.930 3.940 2.602 5.183 0.253 3 0 "[ . 1 . 2]" 1
20 1 23 GLN HB2 1 89 LEU MD1 5.500 . 5.500 2.937 2.081 3.884 . 0 0 "[ . 1 . 2]" 1
21 1 23 GLN HB2 1 89 LEU MD2 5.500 . 5.500 3.879 3.033 4.892 . 0 0 "[ . 1 . 2]" 1
22 1 23 GLN HB3 1 89 LEU MD1 4.620 . 4.620 3.155 2.787 3.525 . 0 0 "[ . 1 . 2]" 1
23 1 23 GLN HB3 1 89 LEU MD2 4.620 . 4.620 3.983 3.009 4.849 0.229 19 0 "[ . 1 . 2]" 1
24 1 23 GLN HA 1 23 GLN HG2 3.880 . 3.880 3.755 2.368 3.884 0.004 11 0 "[ . 1 . 2]" 1
25 1 23 GLN HG3 1 34 ILE MD 4.450 . 4.450 2.400 1.818 3.952 . 0 0 "[ . 1 . 2]" 1
26 1 23 GLN HG2 1 34 ILE MD 4.450 . 4.450 3.224 2.869 4.486 0.036 20 0 "[ . 1 . 2]" 1
27 1 25 LEU H 1 25 LEU MD1 4.750 . 4.750 3.944 3.610 4.214 . 0 0 "[ . 1 . 2]" 1
28 1 25 LEU H 1 25 LEU MD2 4.750 . 4.750 3.939 3.268 4.274 . 0 0 "[ . 1 . 2]" 1
29 1 81 LEU HA 1 81 LEU MD2 4.010 . 4.010 3.069 1.943 3.882 . 0 0 "[ . 1 . 2]" 1
30 1 25 LEU H 1 25 LEU HG 4.750 . 4.750 3.737 2.273 4.513 . 0 0 "[ . 1 . 2]" 1
31 1 26 LEU HA 1 26 LEU HG 3.670 . 3.670 3.217 2.555 3.719 0.049 17 0 "[ . 1 . 2]" 1
32 1 26 LEU H 1 26 LEU HG 4.600 . 4.600 4.167 2.326 4.671 0.071 1 0 "[ . 1 . 2]" 1
33 1 22 TYR HE2 1 26 LEU MD1 4.150 . 4.150 3.863 3.101 4.372 0.222 1 0 "[ . 1 . 2]" 1
34 1 26 LEU HA 1 26 LEU MD1 4.140 . 4.140 2.635 2.016 3.928 . 0 0 "[ . 1 . 2]" 1
35 1 23 GLN HA 1 26 LEU MD1 5.110 . 5.110 4.409 2.140 5.371 0.261 11 0 "[ . 1 . 2]" 1
36 1 22 TYR HE2 1 26 LEU MD2 4.150 . 4.150 3.973 2.714 4.366 0.216 15 0 "[ . 1 . 2]" 1
37 1 26 LEU H 1 26 LEU MD2 4.440 . 4.440 4.107 3.389 4.316 . 0 0 "[ . 1 . 2]" 1
38 1 26 LEU HA 1 26 LEU MD2 4.140 . 4.140 3.261 2.008 3.923 . 0 0 "[ . 1 . 2]" 1
39 1 23 GLN HA 1 26 LEU MD2 5.110 . 5.110 3.971 3.179 5.372 0.262 20 0 "[ . 1 . 2]" 1
40 1 29 ALA HA 1 30 ALA MB 4.220 . 4.220 4.170 4.071 4.289 0.069 13 0 "[ . 1 . 2]" 1
41 1 29 ALA MB 1 34 ILE H 4.630 . 4.630 4.335 4.016 4.840 0.210 3 0 "[ . 1 . 2]" 1
42 1 29 ALA MB 1 33 GLU HB2 3.800 . 3.800 3.204 2.644 3.992 0.192 18 0 "[ . 1 . 2]" 1
43 1 29 ALA MB 1 33 GLU HB3 3.800 . 3.800 3.718 2.996 4.003 0.203 1 0 "[ . 1 . 2]" 1
44 1 30 ALA H 1 30 ALA MB 2.920 . 2.920 2.444 2.215 2.934 0.014 17 0 "[ . 1 . 2]" 1
45 1 30 ALA MB 1 32 GLY H 3.860 . 3.860 3.027 2.708 3.523 . 0 0 "[ . 1 . 2]" 1
46 1 30 ALA MB 1 33 GLU HB2 3.820 . 3.820 2.729 1.822 3.049 . 0 0 "[ . 1 . 2]" 1
47 1 29 ALA MB 1 33 GLU HG2 5.380 . 5.380 4.462 1.811 5.287 . 0 0 "[ . 1 . 2]" 1
48 1 29 ALA MB 1 33 GLU HG3 5.380 . 5.380 4.109 2.660 5.628 0.248 13 0 "[ . 1 . 2]" 1
49 1 30 ALA MB 1 33 GLU HG2 3.990 . 3.990 2.822 1.833 3.887 . 0 0 "[ . 1 . 2]" 1
50 1 30 ALA MB 1 33 GLU HG3 3.990 . 3.990 2.529 1.802 4.198 0.208 17 0 "[ . 1 . 2]" 1
51 1 33 GLU HA 1 33 GLU HG2 4.230 . 4.230 2.952 2.413 3.884 . 0 0 "[ . 1 . 2]" 1
52 1 33 GLU HA 1 33 GLU HG3 4.230 . 4.230 3.237 2.337 3.830 . 0 0 "[ . 1 . 2]" 1
53 1 30 ALA H 1 33 GLU HG2 5.500 . 5.500 4.458 3.390 5.706 0.206 18 0 "[ . 1 . 2]" 1
54 1 30 ALA H 1 33 GLU HG3 5.500 . 5.500 4.041 2.766 5.788 0.288 8 0 "[ . 1 . 2]" 1
55 1 30 ALA MB 1 33 GLU HB3 3.820 . 3.820 3.838 2.280 4.032 0.212 5 0 "[ . 1 . 2]" 1
56 1 29 ALA MB 1 34 ILE HG13 3.420 . 3.420 2.899 2.469 3.436 0.016 3 0 "[ . 1 . 2]" 1
57 1 34 ILE HB 1 35 ASP HA 4.250 . 4.250 4.267 4.060 4.435 0.185 18 0 "[ . 1 . 2]" 1
58 1 34 ILE MG 1 35 ASP HB2 4.880 . 4.880 4.888 4.414 5.124 0.244 17 0 "[ . 1 . 2]" 1
59 1 37 GLN H 1 37 GLN HG3 3.910 . 3.910 3.291 2.057 3.752 . 0 0 "[ . 1 . 2]" 1
60 1 37 GLN H 1 37 GLN HG2 3.910 . 3.910 2.789 2.026 3.968 0.058 16 0 "[ . 1 . 2]" 1
61 1 37 GLN HA 1 37 GLN HG2 4.020 . 4.020 3.510 2.533 4.231 0.211 3 0 "[ . 1 . 2]" 1
62 1 37 GLN HA 1 37 GLN HG3 4.020 . 4.020 3.454 2.399 3.832 . 0 0 "[ . 1 . 2]" 1
63 1 37 GLN HG2 1 89 LEU MD1 5.450 . 5.450 3.765 2.118 5.661 0.211 8 0 "[ . 1 . 2]" 1
64 1 37 GLN HG2 1 89 LEU MD2 5.450 . 5.450 3.210 1.814 4.412 . 0 0 "[ . 1 . 2]" 1
65 1 37 GLN HG3 1 89 LEU MD1 5.450 . 5.450 3.949 1.827 5.619 0.169 9 0 "[ . 1 . 2]" 1
66 1 37 GLN HG3 1 89 LEU MD2 5.450 . 5.450 3.308 1.802 4.932 . 0 0 "[ . 1 . 2]" 1
67 1 38 LEU H 1 38 LEU MD1 5.160 . 5.160 4.069 3.230 4.334 . 0 0 "[ . 1 . 2]" 1
68 1 38 LEU H 1 38 LEU MD2 5.160 . 5.160 3.770 1.806 4.322 . 0 0 "[ . 1 . 2]" 1
69 1 39 ARG H 1 39 ARG HG3 4.840 . 4.840 3.682 2.071 4.650 . 0 0 "[ . 1 . 2]" 1
70 1 39 ARG H 1 39 ARG HG2 4.840 . 4.840 3.849 2.062 4.610 . 0 0 "[ . 1 . 2]" 1
71 1 36 ALA HA 1 39 ARG HD2 4.640 . 4.640 3.909 1.803 4.885 0.245 16 0 "[ . 1 . 2]" 1
72 1 36 ALA HA 1 39 ARG HD3 4.640 . 4.640 3.606 1.871 4.806 0.166 10 0 "[ . 1 . 2]" 1
73 1 39 ARG H 1 39 ARG HD2 4.820 . 4.820 4.226 2.652 4.746 . 0 0 "[ . 1 . 2]" 1
74 1 41 ALA H 1 41 ALA MB 3.060 . 3.060 2.432 2.322 2.470 . 0 0 "[ . 1 . 2]" 1
75 1 40 GLY H 1 41 ALA MB 4.640 . 4.640 4.447 4.102 4.801 0.161 10 0 "[ . 1 . 2]" 1
76 1 44 TYR HA 1 44 TYR HD1 4.730 . 4.730 4.194 3.894 4.331 . 0 0 "[ . 1 . 2]" 1
77 1 44 TYR HA 1 44 TYR HD2 4.910 . 4.910 2.748 2.251 4.289 . 0 0 "[ . 1 . 2]" 1
78 1 44 TYR HD1 1 45 ASP HA 4.510 . 4.510 3.960 3.087 4.554 0.044 9 0 "[ . 1 . 2]" 1
79 1 46 LYS HA 1 46 LYS HG2 4.140 . 4.140 3.461 3.046 3.695 . 0 0 "[ . 1 . 2]" 1
80 1 46 LYS HA 1 46 LYS HG3 4.140 . 4.140 3.053 2.103 3.865 . 0 0 "[ . 1 . 2]" 1
81 1 46 LYS HA 1 46 LYS HD2 3.910 . 3.910 2.813 1.952 4.017 0.107 19 0 "[ . 1 . 2]" 1
82 1 46 LYS HA 1 46 LYS HD3 3.910 . 3.910 3.261 1.958 4.126 0.216 5 0 "[ . 1 . 2]" 1
83 1 46 LYS H 1 47 ALA MB 4.270 . 4.270 3.834 3.550 4.313 0.043 12 0 "[ . 1 . 2]" 1
84 1 47 ALA MB 1 48 ASP H 3.620 . 3.620 3.504 2.704 3.695 0.075 19 0 "[ . 1 . 2]" 1
85 1 44 TYR HA 1 47 ALA MB 3.740 . 3.740 2.794 1.874 3.862 0.122 5 0 "[ . 1 . 2]" 1
86 1 9 ALA MB 1 48 ASP HB3 4.630 . 4.630 3.904 2.450 4.864 0.234 18 0 "[ . 1 . 2]" 1
87 1 50 THR MG 1 51 LEU H 4.060 . 4.060 3.848 3.648 4.053 . 0 0 "[ . 1 . 2]" 1
88 1 50 THR HA 1 50 THR MG 3.020 . 3.020 2.340 2.259 2.416 . 0 0 "[ . 1 . 2]" 1
89 1 54 THR HA 1 54 THR MG 3.210 . 3.210 3.092 2.659 3.234 0.024 8 0 "[ . 1 . 2]" 1
90 1 54 THR MG 1 55 ILE HA 4.130 . 4.130 3.029 2.793 3.220 . 0 0 "[ . 1 . 2]" 1
91 1 55 ILE H 1 55 ILE MG 4.120 . 4.120 3.775 3.751 3.799 . 0 0 "[ . 1 . 2]" 1
92 1 55 ILE MG 1 56 LEU H 4.180 . 4.180 3.483 3.195 3.806 . 0 0 "[ . 1 . 2]" 1
93 1 55 ILE MG 1 56 LEU HA 4.330 . 4.330 3.377 3.173 3.710 . 0 0 "[ . 1 . 2]" 1
94 1 55 ILE MG 1 59 VAL HA 4.970 . 4.970 4.830 4.480 5.221 0.251 20 0 "[ . 1 . 2]" 1
95 1 55 ILE HB 1 55 ILE MD 3.330 . 3.330 2.957 2.407 3.247 . 0 0 "[ . 1 . 2]" 1
96 1 59 VAL H 1 59 VAL MG1 4.240 . 4.240 2.776 2.124 3.774 . 0 0 "[ . 1 . 2]" 1
97 1 60 ILE MD 1 60 ILE MG 3.090 . 3.090 1.985 1.935 2.090 . 0 0 "[ . 1 . 2]" 1
98 1 60 ILE MG 1 61 ARG HB2 5.500 . 5.500 3.972 3.542 5.110 . 0 0 "[ . 1 . 2]" 1
99 1 60 ILE MG 1 61 ARG HB3 5.500 . 5.500 4.828 4.473 5.295 . 0 0 "[ . 1 . 2]" 1
100 1 60 ILE HA 1 60 ILE MG 3.620 . 3.620 2.446 2.408 2.490 . 0 0 "[ . 1 . 2]" 1
101 1 60 ILE MG 1 61 ARG HA 4.050 . 4.050 3.261 3.097 3.492 . 0 0 "[ . 1 . 2]" 1
102 1 60 ILE H 1 60 ILE MG 3.990 . 3.990 3.773 3.750 3.786 . 0 0 "[ . 1 . 2]" 1
103 1 60 ILE HB 1 60 ILE MD 3.520 . 3.520 2.424 2.383 2.451 . 0 0 "[ . 1 . 2]" 1
104 1 60 ILE HA 1 60 ILE MD 4.220 . 4.220 3.845 3.820 3.879 . 0 0 "[ . 1 . 2]" 1
105 1 57 HIS HA 1 60 ILE MD 4.010 . 4.010 2.791 2.081 3.333 . 0 0 "[ . 1 . 2]" 1
106 1 60 ILE H 1 60 ILE MD 3.970 . 3.970 3.555 3.346 3.674 . 0 0 "[ . 1 . 2]" 1
107 1 61 ARG HA 1 61 ARG HG3 4.140 . 4.140 3.148 2.552 3.735 . 0 0 "[ . 1 . 2]" 1
108 1 61 ARG HA 1 61 ARG HG2 4.140 . 4.140 3.079 2.388 3.856 . 0 0 "[ . 1 . 2]" 1
109 1 61 ARG HA 1 61 ARG HD2 5.500 . 5.500 3.902 2.010 4.913 . 0 0 "[ . 1 . 2]" 1
110 1 61 ARG HA 1 61 ARG HD3 5.500 . 5.500 3.803 1.991 4.940 . 0 0 "[ . 1 . 2]" 1
111 1 64 ALA HA 1 67 ALA MB 3.440 . 3.440 2.633 2.347 3.026 . 0 0 "[ . 1 . 2]" 1
112 1 64 ALA HA 1 67 ALA H 4.180 . 4.180 3.443 3.151 3.609 . 0 0 "[ . 1 . 2]" 1
113 1 64 ALA MB 1 65 THR H 3.160 . 3.160 2.438 2.184 2.605 . 0 0 "[ . 1 . 2]" 1
114 1 64 ALA H 1 64 ALA MB 3.260 . 3.260 2.236 2.226 2.256 . 0 0 "[ . 1 . 2]" 1
115 1 65 THR HB 1 66 LEU H 3.910 . 3.910 2.823 2.422 3.702 . 0 0 "[ . 1 . 2]" 1
116 1 65 THR HA 1 65 THR MG 2.920 . 2.920 2.347 2.266 2.404 . 0 0 "[ . 1 . 2]" 1
117 1 66 LEU HA 1 66 LEU HG 3.950 . 3.950 3.731 3.684 3.787 . 0 0 "[ . 1 . 2]" 1
118 1 66 LEU HG 1 94 TYR HB2 4.020 . 4.020 3.776 3.312 4.223 0.203 20 0 "[ . 1 . 2]" 1
119 1 66 LEU MD1 1 94 TYR H 4.400 . 4.400 4.624 4.603 4.637 0.237 14 0 "[ . 1 . 2]" 1
120 1 66 LEU H 1 66 LEU MD1 4.390 . 4.390 4.279 4.197 4.361 . 0 0 "[ . 1 . 2]" 1
121 1 66 LEU H 1 66 LEU MD2 4.710 . 4.710 3.939 3.717 4.081 . 0 0 "[ . 1 . 2]" 1
122 1 66 LEU HA 1 66 LEU MD2 3.380 . 3.380 1.969 1.841 2.036 . 0 0 "[ . 1 . 2]" 1
123 1 67 ALA HA 1 70 ILE MD 5.500 . 5.500 5.391 4.045 5.785 0.285 2 0 "[ . 1 . 2]" 1
124 1 67 ALA HA 1 91 ILE MD 5.500 . 5.500 4.423 3.646 5.062 . 0 0 "[ . 1 . 2]" 1
125 1 67 ALA HA 1 70 ILE HB 4.200 . 4.200 4.151 3.082 4.424 0.224 12 0 "[ . 1 . 2]" 1
126 1 67 ALA HA 1 69 ALA H 5.370 . 5.370 4.422 4.090 5.004 . 0 0 "[ . 1 . 2]" 1
127 1 67 ALA MB 1 78 ILE MD 3.600 . 3.600 3.647 2.894 3.809 0.209 15 0 "[ . 1 . 2]" 1
128 1 67 ALA MB 1 91 ILE MD 3.690 . 3.690 3.294 2.358 3.883 0.193 16 0 "[ . 1 . 2]" 1
129 1 68 GLU HA 1 68 GLU HG2 3.370 . 3.370 2.553 2.471 2.633 . 0 0 "[ . 1 . 2]" 1
130 1 68 GLU H 1 68 GLU HG2 3.490 . 3.490 3.486 3.319 3.645 0.155 8 0 "[ . 1 . 2]" 1
131 1 68 GLU H 1 68 GLU HG3 3.490 . 3.490 2.320 2.118 2.415 . 0 0 "[ . 1 . 2]" 1
132 1 68 GLU HA 1 68 GLU HG3 3.370 . 3.370 3.108 2.920 3.194 . 0 0 "[ . 1 . 2]" 1
133 1 69 ALA MB 1 70 ILE H 3.280 . 3.280 3.029 2.899 3.245 . 0 0 "[ . 1 . 2]" 1
134 1 70 ILE HB 1 70 ILE MD 3.570 . 3.570 2.582 2.369 3.253 . 0 0 "[ . 1 . 2]" 1
135 1 70 ILE H 1 70 ILE MD 4.240 . 4.240 4.169 2.889 4.454 0.214 6 0 "[ . 1 . 2]" 1
136 1 68 GLU H 1 70 ILE MG 5.480 . 5.480 4.574 4.254 5.764 0.284 16 0 "[ . 1 . 2]" 1
137 1 67 ALA HA 1 70 ILE MG 4.210 . 4.210 3.464 2.832 4.426 0.216 16 0 "[ . 1 . 2]" 1
138 1 74 LEU H 1 74 LEU HG 4.120 . 4.120 3.224 2.241 4.239 0.119 8 0 "[ . 1 . 2]" 1
139 1 77 PRO HA 1 78 ILE MG 4.500 . 4.500 4.037 3.644 4.406 . 0 0 "[ . 1 . 2]" 1
140 1 77 PRO HB2 1 79 ASP H 4.460 . 4.460 2.466 2.159 3.478 . 0 0 "[ . 1 . 2]" 1
141 1 78 ILE HG12 1 78 ILE MG 3.520 . 3.520 2.416 2.383 2.452 . 0 0 "[ . 1 . 2]" 1
142 1 78 ILE HG13 1 78 ILE MG 3.520 . 3.520 3.218 3.211 3.225 . 0 0 "[ . 1 . 2]" 1
143 1 78 ILE HA 1 78 ILE MG 3.320 . 3.320 3.220 3.191 3.229 . 0 0 "[ . 1 . 2]" 1
144 1 78 ILE MG 1 79 ASP HB2 4.960 . 4.960 3.874 2.447 4.635 . 0 0 "[ . 1 . 2]" 1
145 1 78 ILE MG 1 79 ASP HB3 4.960 . 4.960 4.302 2.962 4.779 . 0 0 "[ . 1 . 2]" 1
146 1 78 ILE MG 1 79 ASP HA 3.880 . 3.880 3.306 3.119 3.813 . 0 0 "[ . 1 . 2]" 1
147 1 80 GLN H 1 80 GLN HG2 4.780 . 4.780 3.728 2.119 4.625 . 0 0 "[ . 1 . 2]" 1
148 1 80 GLN H 1 80 GLN HG3 4.780 . 4.780 4.227 3.609 4.587 . 0 0 "[ . 1 . 2]" 1
149 1 81 LEU HA 1 81 LEU MD1 4.010 . 4.010 2.421 1.883 4.131 0.121 19 0 "[ . 1 . 2]" 1
150 1 82 SER H 1 82 SER HB2 4.150 . 4.150 2.679 2.538 2.744 . 0 0 "[ . 1 . 2]" 1
151 1 82 SER H 1 82 SER HB3 4.150 . 4.150 3.513 2.526 3.618 . 0 0 "[ . 1 . 2]" 1
152 1 84 VAL H 1 84 VAL MG1 3.810 . 3.810 2.894 1.932 3.801 . 0 0 "[ . 1 . 2]" 1
153 1 84 VAL HA 1 84 VAL MG1 3.310 . 3.310 2.810 2.347 3.232 . 0 0 "[ . 1 . 2]" 1
154 1 84 VAL MG1 1 118 PHE HB2 4.350 . 4.350 4.058 3.444 4.576 0.226 12 0 "[ . 1 . 2]" 1
155 1 84 VAL MG1 1 118 PHE HB3 4.350 . 4.350 4.219 3.651 4.580 0.230 11 0 "[ . 1 . 2]" 1
156 1 84 VAL MG2 1 85 GLU H 4.670 . 4.670 3.615 3.326 3.788 . 0 0 "[ . 1 . 2]" 1
157 1 84 VAL HA 1 84 VAL MG2 3.310 . 3.310 2.410 2.358 2.483 . 0 0 "[ . 1 . 2]" 1
158 1 84 VAL MG2 1 118 PHE HB2 4.350 . 4.350 2.829 2.132 3.641 . 0 0 "[ . 1 . 2]" 1
159 1 84 VAL MG2 1 118 PHE HB3 4.350 . 4.350 3.201 2.170 4.385 0.035 6 0 "[ . 1 . 2]" 1
160 1 84 VAL HB 1 85 GLU H 4.090 . 4.090 3.223 2.425 4.054 . 0 0 "[ . 1 . 2]" 1
161 1 86 ARG HA 1 87 ALA MB 5.270 . 5.270 5.038 4.999 5.057 . 0 0 "[ . 1 . 2]" 1
162 1 78 ILE MD 1 86 ARG HD2 4.590 . 4.590 3.243 2.305 4.825 0.235 16 0 "[ . 1 . 2]" 1
163 1 84 VAL HA 1 87 ALA MB 3.570 . 3.570 2.703 2.261 3.073 . 0 0 "[ . 1 . 2]" 1
164 1 87 ALA MB 1 88 VAL HB 4.600 . 4.600 4.504 4.386 4.610 0.010 4 0 "[ . 1 . 2]" 1
165 1 88 VAL HA 1 88 VAL MG1 3.690 . 3.690 2.461 2.409 2.519 . 0 0 "[ . 1 . 2]" 1
166 1 88 VAL HA 1 88 VAL MG2 3.690 . 3.690 2.355 2.307 2.390 . 0 0 "[ . 1 . 2]" 1
167 1 91 ILE MG 1 92 ALA HA 4.190 . 4.190 2.991 2.719 3.340 . 0 0 "[ . 1 . 2]" 1
168 1 91 ILE MG 1 92 ALA H 3.890 . 3.890 2.913 2.471 3.288 . 0 0 "[ . 1 . 2]" 1
169 1 91 ILE MD 1 91 ILE MG 3.280 . 3.280 3.212 2.108 3.280 . 0 0 "[ . 1 . 2]" 1
170 1 91 ILE MG 1 92 ALA MB 3.860 . 3.860 3.606 3.053 4.012 0.152 17 0 "[ . 1 . 2]" 1
171 1 88 VAL HA 1 91 ILE MG 4.270 . 4.270 4.115 3.377 4.486 0.216 17 0 "[ . 1 . 2]" 1
172 1 91 ILE MG 1 95 GLU HA 5.280 . 5.280 5.161 4.843 5.523 0.243 14 0 "[ . 1 . 2]" 1
173 1 91 ILE MD 1 92 ALA H 4.320 . 4.320 4.145 4.011 4.532 0.212 17 0 "[ . 1 . 2]" 1
174 1 91 ILE HB 1 91 ILE MD 3.220 . 3.220 2.487 2.359 3.240 0.020 17 0 "[ . 1 . 2]" 1
175 1 92 ALA HA 1 131 LEU MD1 5.500 . 5.500 5.340 4.775 5.758 0.258 18 0 "[ . 1 . 2]" 1
176 1 92 ALA HA 1 131 LEU MD2 5.500 . 5.500 5.547 5.007 5.787 0.287 3 0 "[ . 1 . 2]" 1
177 1 92 ALA H 1 92 ALA MB 3.200 . 3.200 2.254 2.242 2.276 . 0 0 "[ . 1 . 2]" 1
178 1 91 ILE HB 1 92 ALA MB 4.410 . 4.410 4.185 3.893 4.351 . 0 0 "[ . 1 . 2]" 1
179 1 92 ALA MB 1 107 ILE MG 3.290 . 3.290 3.266 2.726 3.456 0.166 9 0 "[ . 1 . 2]" 1
180 1 88 VAL HA 1 92 ALA MB 4.250 . 4.250 3.730 3.244 4.079 . 0 0 "[ . 1 . 2]" 1
181 1 93 THR H 1 93 THR MG 3.980 . 3.980 3.779 3.760 3.793 . 0 0 "[ . 1 . 2]" 1
182 1 93 THR MG 1 94 TYR H 4.520 . 4.520 3.335 3.174 3.451 . 0 0 "[ . 1 . 2]" 1
183 1 93 THR MG 1 97 THR H 4.470 . 4.470 4.130 3.894 4.306 . 0 0 "[ . 1 . 2]" 1
184 1 66 LEU HG 1 94 TYR HA 5.310 . 5.310 5.221 4.657 5.583 0.273 19 0 "[ . 1 . 2]" 1
185 1 97 THR MG 1 98 HIS H 4.210 . 4.210 3.745 3.560 3.896 . 0 0 "[ . 1 . 2]" 1
186 1 97 THR HA 1 97 THR MG 3.200 . 3.200 2.366 2.284 2.457 . 0 0 "[ . 1 . 2]" 1
187 1 93 THR MG 1 97 THR MG 4.790 . 4.790 4.448 3.436 4.700 . 0 0 "[ . 1 . 2]" 1
188 1 99 GLN H 1 99 GLN HG3 4.380 . 4.380 3.626 3.022 4.421 0.041 6 0 "[ . 1 . 2]" 1
189 1 95 GLU HA 1 99 GLN HG3 4.770 . 4.770 3.465 3.195 4.058 . 0 0 "[ . 1 . 2]" 1
190 1 100 ILE HG12 1 100 ILE MG 3.530 . 3.530 3.172 2.333 3.223 . 0 0 "[ . 1 . 2]" 1
191 1 36 ALA H 1 36 ALA MB 3.560 . 3.560 2.223 2.203 2.243 . 0 0 "[ . 1 . 2]" 1
192 1 100 ILE MG 1 101 GLU H 4.120 . 4.120 3.985 3.811 4.341 0.221 15 0 "[ . 1 . 2]" 1
193 1 100 ILE HA 1 100 ILE MG 3.090 . 3.090 2.389 2.184 2.447 . 0 0 "[ . 1 . 2]" 1
194 1 100 ILE HG13 1 100 ILE MG 3.530 . 3.530 2.413 2.384 2.433 . 0 0 "[ . 1 . 2]" 1
195 1 100 ILE H 1 100 ILE MD 3.870 . 3.870 1.827 1.790 2.275 0.010 10 0 "[ . 1 . 2]" 1
196 1 100 ILE HA 1 100 ILE MD 3.780 . 3.780 3.578 3.550 3.629 . 0 0 "[ . 1 . 2]" 1
197 1 100 ILE HB 1 100 ILE MD 3.240 . 3.240 3.219 2.459 3.266 0.026 6 0 "[ . 1 . 2]" 1
198 1 101 GLU HA 1 101 GLU HG3 3.890 . 3.890 3.630 2.995 3.894 0.004 12 0 "[ . 1 . 2]" 1
199 1 101 GLU HA 1 101 GLU HG2 3.890 . 3.890 3.367 2.359 3.804 . 0 0 "[ . 1 . 2]" 1
200 1 105 ARG HA 1 108 ILE HB 4.110 . 4.110 3.192 2.822 3.474 . 0 0 "[ . 1 . 2]" 1
201 1 105 ARG HA 1 108 ILE MD 3.880 . 3.880 3.331 2.690 4.033 0.153 15 0 "[ . 1 . 2]" 1
202 1 105 ARG HB3 1 105 ARG HD2 3.990 . 3.990 2.751 2.429 3.810 . 0 0 "[ . 1 . 2]" 1
203 1 105 ARG HB3 1 105 ARG HD3 3.990 . 3.990 3.129 2.800 3.728 . 0 0 "[ . 1 . 2]" 1
204 1 105 ARG HA 1 105 ARG HD3 4.470 . 4.470 2.485 1.997 4.220 . 0 0 "[ . 1 . 2]" 1
205 1 105 ARG HA 1 105 ARG HD2 4.470 . 4.470 3.097 2.618 3.426 . 0 0 "[ . 1 . 2]" 1
206 1 106 VAL H 1 106 VAL HB 4.010 . 4.010 3.652 3.639 3.674 . 0 0 "[ . 1 . 2]" 1
207 1 106 VAL HB 1 107 ILE H 4.170 . 4.170 3.904 3.794 3.992 . 0 0 "[ . 1 . 2]" 1
208 1 106 VAL MG2 1 107 ILE H 4.010 . 4.010 2.189 2.026 2.324 . 0 0 "[ . 1 . 2]" 1
209 1 106 VAL HA 1 106 VAL MG2 3.310 . 3.310 3.225 3.214 3.234 . 0 0 "[ . 1 . 2]" 1
210 1 106 VAL MG2 1 107 ILE HA 4.180 . 4.180 3.146 3.029 3.276 . 0 0 "[ . 1 . 2]" 1
211 1 102 THR MG 1 106 VAL MG2 3.250 . 3.250 2.008 1.853 2.197 . 0 0 "[ . 1 . 2]" 1
212 1 106 VAL H 1 106 VAL MG1 3.150 . 3.150 2.129 2.021 2.219 . 0 0 "[ . 1 . 2]" 1
213 1 106 VAL HA 1 106 VAL MG1 3.110 . 3.110 2.409 2.368 2.444 . 0 0 "[ . 1 . 2]" 1
214 1 103 PRO HG2 1 106 VAL MG1 3.140 . 3.140 2.389 2.121 2.697 . 0 0 "[ . 1 . 2]" 1
215 1 102 THR MG 1 106 VAL MG1 3.810 . 3.810 3.567 3.127 4.002 0.192 4 0 "[ . 1 . 2]" 1
216 1 105 ARG HB2 1 106 VAL MG1 3.990 . 3.990 3.035 2.799 3.452 . 0 0 "[ . 1 . 2]" 1
217 1 107 ILE H 1 107 ILE MG 4.400 . 4.400 3.797 3.782 3.812 . 0 0 "[ . 1 . 2]" 1
218 1 92 ALA HA 1 107 ILE MG 3.950 . 3.950 3.270 2.836 3.635 . 0 0 "[ . 1 . 2]" 1
219 1 107 ILE MG 1 108 ILE HA 4.170 . 4.170 3.414 3.244 3.577 . 0 0 "[ . 1 . 2]" 1
220 1 107 ILE MD 1 107 ILE MG 3.100 . 3.100 1.973 1.909 2.034 . 0 0 "[ . 1 . 2]" 1
221 1 107 ILE H 1 107 ILE MD 4.260 . 4.260 3.444 2.994 3.837 . 0 0 "[ . 1 . 2]" 1
222 1 102 THR HB 1 107 ILE MD 4.230 . 4.230 2.881 2.052 4.207 . 0 0 "[ . 1 . 2]" 1
223 1 104 TYR HA 1 107 ILE MD 3.990 . 3.990 3.477 2.410 4.197 0.207 14 0 "[ . 1 . 2]" 1
224 1 107 ILE HA 1 107 ILE MD 4.320 . 4.320 2.919 1.991 3.815 . 0 0 "[ . 1 . 2]" 1
225 1 99 GLN HB2 1 107 ILE MD 4.050 . 4.050 2.493 2.095 3.108 . 0 0 "[ . 1 . 2]" 1
226 1 107 ILE HB 1 107 ILE MD 3.620 . 3.620 2.877 2.466 3.253 . 0 0 "[ . 1 . 2]" 1
227 1 108 ILE H 1 108 ILE MG 3.850 . 3.850 3.784 3.776 3.796 . 0 0 "[ . 1 . 2]" 1
228 1 108 ILE MG 1 128 ASN HD22 3.950 . 3.950 3.106 2.404 3.718 . 0 0 "[ . 1 . 2]" 1
229 1 108 ILE H 1 108 ILE MD 3.850 . 3.850 3.685 3.593 3.783 . 0 0 "[ . 1 . 2]" 1
230 1 104 TYR HE2 1 108 ILE MD 3.720 . 3.720 3.023 2.329 3.768 0.048 8 0 "[ . 1 . 2]" 1
231 1 108 ILE HA 1 108 ILE MD 3.910 . 3.910 3.813 3.762 3.848 . 0 0 "[ . 1 . 2]" 1
232 1 108 ILE HB 1 108 ILE MD 3.570 . 3.570 2.466 2.432 2.507 . 0 0 "[ . 1 . 2]" 1
233 1 108 ILE HA 1 111 ALA MB 3.960 . 3.960 2.487 2.224 2.847 . 0 0 "[ . 1 . 2]" 1
234 1 108 ILE HA 1 108 ILE MG 3.460 . 3.460 2.453 2.409 2.504 . 0 0 "[ . 1 . 2]" 1
235 1 106 VAL HA 1 109 ASN HB2 4.320 . 4.320 3.059 2.318 3.761 . 0 0 "[ . 1 . 2]" 1
236 1 106 VAL HA 1 109 ASN HB3 4.320 . 4.320 2.492 2.125 3.904 . 0 0 "[ . 1 . 2]" 1
237 1 109 ASN HA 1 112 VAL HB 4.420 . 4.420 3.139 2.371 4.652 0.232 14 0 "[ . 1 . 2]" 1
238 1 108 ILE MG 1 109 ASN HA 4.090 . 4.090 3.450 3.276 3.628 . 0 0 "[ . 1 . 2]" 1
239 1 109 ASN HA 1 112 VAL MG2 4.630 . 4.630 3.553 1.806 4.765 0.135 12 0 "[ . 1 . 2]" 1
240 1 111 ALA MB 1 114 LEU H 4.910 . 4.910 4.766 4.575 4.972 0.062 14 0 "[ . 1 . 2]" 1
241 1 88 VAL HA 1 111 ALA MB 4.240 . 4.240 3.599 3.002 4.251 0.011 13 0 "[ . 1 . 2]" 1
242 1 108 ILE MG 1 111 ALA MB 3.930 . 3.930 3.427 3.164 3.738 . 0 0 "[ . 1 . 2]" 1
243 1 112 VAL H 1 112 VAL MG1 3.880 . 3.880 3.156 2.107 3.772 . 0 0 "[ . 1 . 2]" 1
244 1 112 VAL MG1 1 113 GLU H 3.990 . 3.990 2.952 2.151 3.942 . 0 0 "[ . 1 . 2]" 1
245 1 112 VAL HA 1 112 VAL MG1 3.420 . 3.420 2.767 2.388 3.231 . 0 0 "[ . 1 . 2]" 1
246 1 109 ASN HA 1 112 VAL MG1 4.630 . 4.630 3.188 1.800 4.048 . 0 0 "[ . 1 . 2]" 1
247 1 112 VAL MG2 1 113 GLU H 3.990 . 3.990 3.877 2.270 4.171 0.181 10 0 "[ . 1 . 2]" 1
248 1 112 VAL MG2 1 114 LEU H 5.500 . 5.500 5.422 4.629 5.781 0.281 8 0 "[ . 1 . 2]" 1
249 1 112 VAL H 1 112 VAL MG2 3.880 . 3.880 2.836 2.153 3.812 . 0 0 "[ . 1 . 2]" 1
250 1 112 VAL MG2 1 124 TYR HD2 4.040 . 4.040 3.019 2.088 4.190 0.150 8 0 "[ . 1 . 2]" 1
251 1 112 VAL HA 1 112 VAL MG2 3.420 . 3.420 2.348 2.243 3.226 . 0 0 "[ . 1 . 2]" 1
252 1 112 VAL HB 1 113 GLU H 4.400 . 4.400 3.203 2.582 4.011 . 0 0 "[ . 1 . 2]" 1
253 1 113 GLU H 1 113 GLU HG2 5.270 . 5.270 3.619 2.024 4.639 . 0 0 "[ . 1 . 2]" 1
254 1 113 GLU H 1 113 GLU HG3 5.270 . 5.270 3.906 2.150 4.567 . 0 0 "[ . 1 . 2]" 1
255 1 114 LEU HA 1 114 LEU HG 3.640 . 3.640 2.950 2.405 3.355 . 0 0 "[ . 1 . 2]" 1
256 1 114 LEU H 1 115 ALA MB 4.690 . 4.690 4.191 4.108 4.292 . 0 0 "[ . 1 . 2]" 1
257 1 115 ALA MB 1 124 TYR HA 3.580 . 3.580 2.234 1.977 2.687 . 0 0 "[ . 1 . 2]" 1
258 1 112 VAL HA 1 115 ALA MB 3.730 . 3.730 2.226 1.865 2.582 . 0 0 "[ . 1 . 2]" 1
259 1 115 ALA MB 1 124 TYR HB3 4.210 . 4.210 3.612 2.806 4.099 . 0 0 "[ . 1 . 2]" 1
260 1 115 ALA MB 1 124 TYR HB2 4.090 . 4.090 3.478 2.893 4.043 . 0 0 "[ . 1 . 2]" 1
261 1 115 ALA MB 1 127 VAL MG1 3.530 . 3.530 1.957 1.832 2.151 . 0 0 "[ . 1 . 2]" 1
262 1 115 ALA MB 1 123 GLY H 5.500 . 5.500 5.224 4.478 5.790 0.290 6 0 "[ . 1 . 2]" 1
263 1 117 THR H 1 117 THR MG 3.710 . 3.710 2.457 1.963 3.777 0.067 8 0 "[ . 1 . 2]" 1
264 1 117 THR MG 1 118 PHE H 4.060 . 4.060 2.583 2.188 3.812 . 0 0 "[ . 1 . 2]" 1
265 1 117 THR MG 1 118 PHE HE1 4.880 . 4.880 4.251 3.585 5.025 0.145 6 0 "[ . 1 . 2]" 1
266 1 117 THR MG 1 118 PHE HE2 5.070 . 5.070 3.672 3.104 4.900 . 0 0 "[ . 1 . 2]" 1
267 1 117 THR MG 1 118 PHE HD1 4.510 . 4.510 3.966 3.207 4.740 0.230 6 0 "[ . 1 . 2]" 1
268 1 117 THR MG 1 118 PHE HD2 4.660 . 4.660 3.383 2.629 4.801 0.141 8 0 "[ . 1 . 2]" 1
269 1 117 THR HA 1 117 THR MG 3.300 . 3.300 3.054 2.352 3.236 . 0 0 "[ . 1 . 2]" 1
270 1 124 TYR HA 1 127 VAL HB 4.660 . 4.660 4.349 4.002 4.811 0.151 10 0 "[ . 1 . 2]" 1
271 1 124 TYR HB3 1 124 TYR HE1 4.920 . 4.920 4.764 4.705 4.868 . 0 0 "[ . 1 . 2]" 1
272 1 127 VAL HA 1 127 VAL MG2 3.500 . 3.500 2.348 2.285 2.412 . 0 0 "[ . 1 . 2]" 1
273 1 127 VAL MG2 1 128 ASN HA 4.190 . 4.190 3.694 3.317 3.974 . 0 0 "[ . 1 . 2]" 1
274 1 115 ALA MB 1 127 VAL MG2 3.530 . 3.530 3.092 2.770 3.516 . 0 0 "[ . 1 . 2]" 1
275 1 127 VAL H 1 127 VAL MG1 3.830 . 3.830 2.073 1.933 2.186 . 0 0 "[ . 1 . 2]" 1
276 1 124 TYR HA 1 127 VAL MG1 5.240 . 5.240 2.138 1.800 2.423 0.000 4 0 "[ . 1 . 2]" 1
277 1 127 VAL MG1 1 128 ASN HA 4.190 . 4.190 3.239 3.083 3.369 . 0 0 "[ . 1 . 2]" 1
278 1 127 VAL HA 1 127 VAL MG1 3.500 . 3.500 3.221 3.213 3.231 . 0 0 "[ . 1 . 2]" 1
279 1 124 TYR HA 1 127 VAL MG2 5.240 . 5.240 4.754 4.433 5.082 . 0 0 "[ . 1 . 2]" 1
280 1 108 ILE MG 1 128 ASN HA 3.860 . 3.860 2.471 2.056 2.957 . 0 0 "[ . 1 . 2]" 1
281 1 128 ASN HA 1 131 LEU HG 4.180 . 4.180 4.223 3.612 4.394 0.214 15 0 "[ . 1 . 2]" 1
282 1 130 VAL HB 1 131 LEU HG 4.660 . 4.660 4.777 3.287 4.905 0.245 3 0 "[ . 1 . 2]" 1
283 1 132 ASP HA 1 135 ALA MB 3.940 . 3.940 2.480 2.024 2.946 . 0 0 "[ . 1 . 2]" 1
284 1 108 ILE MD 1 132 ASP HA 3.640 . 3.640 2.910 2.466 3.599 . 0 0 "[ . 1 . 2]" 1
285 1 132 ASP HB3 1 133 LYS H 4.380 . 4.380 2.572 2.374 3.230 . 0 0 "[ . 1 . 2]" 1
286 1 104 TYR HD1 1 135 ALA MB 3.990 . 3.990 3.749 2.814 4.200 0.210 6 0 "[ . 1 . 2]" 1
287 1 104 TYR HD2 1 135 ALA MB 4.360 . 4.360 3.185 2.576 4.089 . 0 0 "[ . 1 . 2]" 1
288 1 135 ALA MB 1 136 VAL H 3.590 . 3.590 2.685 2.496 2.865 . 0 0 "[ . 1 . 2]" 1
289 1 104 TYR HA 1 135 ALA MB 5.450 . 5.450 5.165 4.516 5.725 0.275 9 0 "[ . 1 . 2]" 1
290 1 135 ALA MB 1 143 THR HB 5.500 . 5.500 4.485 3.993 4.895 . 0 0 "[ . 1 . 2]" 1
291 1 108 ILE MD 1 135 ALA MB 3.170 . 3.170 2.813 2.332 3.177 0.007 19 0 "[ . 1 . 2]" 1
292 1 133 LYS HA 1 136 VAL HB 4.080 . 4.080 3.317 2.572 4.283 0.203 12 0 "[ . 1 . 2]" 1
293 1 136 VAL H 1 136 VAL MG1 3.920 . 3.920 3.444 1.999 3.800 . 0 0 "[ . 1 . 2]" 1
294 1 136 VAL MG1 1 143 THR MG 3.620 . 3.620 3.627 3.128 3.813 0.193 12 0 "[ . 1 . 2]" 1
295 1 136 VAL MG2 1 143 THR MG 3.620 . 3.620 2.429 1.885 3.479 . 0 0 "[ . 1 . 2]" 1
296 1 138 LEU H 1 138 LEU MD1 4.530 . 4.530 3.478 2.818 3.935 . 0 0 "[ . 1 . 2]" 1
297 1 138 LEU H 1 138 LEU MD2 4.530 . 4.530 3.460 3.255 3.671 . 0 0 "[ . 1 . 2]" 1
298 1 141 ALA H 1 141 ALA MB 2.970 . 2.970 2.234 2.219 2.248 . 0 0 "[ . 1 . 2]" 1
299 1 104 TYR HD1 1 143 THR MG 5.040 . 5.040 4.538 3.573 5.293 0.253 17 0 "[ . 1 . 2]" 1
300 1 104 TYR HD2 1 143 THR MG 5.500 . 5.500 4.488 3.706 5.233 . 0 0 "[ . 1 . 2]" 1
301 1 135 ALA MB 1 143 THR MG 3.350 . 3.350 2.282 1.944 2.647 . 0 0 "[ . 1 . 2]" 1
302 1 145 ALA MB 1 146 ARG HA 4.560 . 4.560 4.264 4.110 4.579 0.019 10 0 "[ . 1 . 2]" 1
303 1 146 ARG HA 1 146 ARG HD2 5.450 . 5.450 4.350 2.106 5.301 . 0 0 "[ . 1 . 2]" 1
304 1 146 ARG HA 1 146 ARG HD3 5.450 . 5.450 4.368 2.813 5.547 0.097 13 0 "[ . 1 . 2]" 1
305 1 71 SER H 1 78 ILE MD 4.290 . 4.290 3.902 3.004 4.421 0.131 14 0 "[ . 1 . 2]" 1
306 1 78 ILE H 1 78 ILE MD 4.560 . 4.560 4.391 4.307 4.462 . 0 0 "[ . 1 . 2]" 1
307 1 67 ALA HA 1 78 ILE MD 4.320 . 4.320 4.296 3.808 4.547 0.227 12 0 "[ . 1 . 2]" 1
308 1 78 ILE HA 1 78 ILE MD 3.900 . 3.900 3.818 3.771 3.849 . 0 0 "[ . 1 . 2]" 1
309 1 24 TRP H 1 34 ILE MD 3.750 . 3.750 2.778 2.563 3.086 . 0 0 "[ . 1 . 2]" 1
310 1 30 ALA H 1 34 ILE MD 4.660 . 4.660 4.163 2.792 4.893 0.233 20 0 "[ . 1 . 2]" 1
311 1 34 ILE MD 1 35 ASP H 5.070 . 5.070 4.595 4.410 4.772 . 0 0 "[ . 1 . 2]" 1
312 1 34 ILE H 1 34 ILE MD 3.560 . 3.560 3.583 3.397 3.750 0.190 2 0 "[ . 1 . 2]" 1
313 1 24 TRP HA 1 34 ILE MD 3.530 . 3.530 2.197 1.817 2.642 . 0 0 "[ . 1 . 2]" 1
314 1 24 TRP HB2 1 34 ILE MD 3.730 . 3.730 2.264 1.806 2.786 . 0 0 "[ . 1 . 2]" 1
315 1 24 TRP HB3 1 34 ILE MD 3.730 . 3.730 3.595 3.278 3.917 0.187 13 0 "[ . 1 . 2]" 1
316 1 34 ILE HB 1 34 ILE MD 3.550 . 3.550 2.417 2.354 2.455 . 0 0 "[ . 1 . 2]" 1
317 1 29 ALA MB 1 34 ILE MD 3.040 . 3.040 2.356 1.801 3.195 0.155 3 0 "[ . 1 . 2]" 1
318 1 111 ALA MB 1 131 LEU HG 4.270 . 4.270 4.297 4.000 4.485 0.215 5 0 "[ . 1 . 2]" 1
319 1 108 ILE HA 1 131 LEU HG 4.930 . 4.930 5.021 4.733 5.189 0.259 6 0 "[ . 1 . 2]" 1
320 1 25 LEU H 1 34 ILE MD 4.830 . 4.830 4.575 4.444 4.737 . 0 0 "[ . 1 . 2]" 1
321 1 9 ALA H 1 9 ALA MB 3.660 . 3.660 2.230 2.194 2.256 . 0 0 "[ . 1 . 2]" 1
322 1 9 ALA MB 1 10 ARG H 3.780 . 3.780 2.729 2.370 3.044 . 0 0 "[ . 1 . 2]" 1
323 1 9 ALA MB 1 48 ASP HB2 4.630 . 4.630 2.665 1.864 3.646 . 0 0 "[ . 1 . 2]" 1
324 1 9 ALA MB 1 48 ASP H 4.260 . 4.260 4.107 2.889 4.482 0.222 8 0 "[ . 1 . 2]" 1
325 1 56 LEU HA 1 56 LEU HG 4.200 . 4.200 3.743 3.726 3.778 . 0 0 "[ . 1 . 2]" 1
326 1 56 LEU HG 1 60 ILE MD 4.430 . 4.430 4.582 4.308 4.655 0.225 13 0 "[ . 1 . 2]" 1
327 1 56 LEU HG 1 57 HIS HA 4.540 . 4.540 4.199 3.791 4.433 . 0 0 "[ . 1 . 2]" 1
328 1 56 LEU HG 1 57 HIS HD2 4.890 . 4.890 4.052 2.132 5.141 0.251 15 0 "[ . 1 . 2]" 1
329 1 55 ILE HA 1 94 TYR HD2 5.500 . 5.500 5.382 4.267 5.788 0.288 9 0 "[ . 1 . 2]" 1
330 1 55 ILE HA 1 55 ILE MD 3.800 . 3.800 2.621 1.906 3.872 0.072 9 0 "[ . 1 . 2]" 1
331 1 140 PRO HA 1 143 THR H 4.630 . 4.630 3.438 3.093 3.787 . 0 0 "[ . 1 . 2]" 1
332 1 140 PRO HA 1 141 ALA MB 5.270 . 5.270 5.014 4.928 5.068 . 0 0 "[ . 1 . 2]" 1
333 1 140 PRO HA 1 143 THR MG 4.820 . 4.820 3.606 2.884 4.173 . 0 0 "[ . 1 . 2]" 1
334 1 24 TRP HE3 1 25 LEU HA 5.180 . 5.180 3.512 2.770 4.810 . 0 0 "[ . 1 . 2]" 1
335 1 8 SER HB2 1 9 ALA H 4.760 . 4.760 3.786 3.032 4.145 . 0 0 "[ . 1 . 2]" 1
336 1 71 SER HA 1 78 ILE MG 4.430 . 4.430 4.275 3.575 4.660 0.230 12 0 "[ . 1 . 2]" 1
337 1 95 GLU HA 1 99 GLN H 4.870 . 4.870 4.794 4.474 5.034 0.164 13 0 "[ . 1 . 2]" 1
338 1 95 GLU HA 1 99 GLN HG2 4.770 . 4.770 4.352 3.194 5.029 0.259 3 0 "[ . 1 . 2]" 1
339 1 95 GLU HA 1 99 GLN HB2 4.560 . 4.560 4.397 4.008 4.794 0.234 4 0 "[ . 1 . 2]" 1
340 1 95 GLU HA 1 107 ILE MD 5.020 . 5.020 5.079 4.503 5.287 0.267 7 0 "[ . 1 . 2]" 1
341 1 95 GLU HG3 1 107 ILE MD 5.500 . 5.500 4.230 2.314 5.642 0.142 18 0 "[ . 1 . 2]" 1
342 1 95 GLU HG2 1 107 ILE MD 5.500 . 5.500 5.005 2.510 5.789 0.289 19 0 "[ . 1 . 2]" 1
343 1 90 LEU HA 1 90 LEU HG 3.930 . 3.930 3.173 2.469 3.746 . 0 0 "[ . 1 . 2]" 1
344 1 135 ALA HA 1 138 LEU HG 4.510 . 4.510 3.153 1.796 4.741 0.231 2 0 "[ . 1 . 2]" 1
345 1 23 GLN HG2 1 24 TRP H 4.930 . 4.930 4.754 4.523 4.956 0.026 5 0 "[ . 1 . 2]" 1
346 1 23 GLN H 1 23 GLN HG3 4.680 . 4.680 4.455 4.382 4.547 . 0 0 "[ . 1 . 2]" 1
347 1 23 GLN HA 1 23 GLN HG3 3.880 . 3.880 3.199 3.075 3.625 . 0 0 "[ . 1 . 2]" 1
348 1 19 GLN HG2 1 20 GLY H 4.900 . 4.900 4.234 2.228 4.994 0.094 19 0 "[ . 1 . 2]" 1
349 1 21 LEU HA 1 34 ILE MD 4.900 . 4.900 4.618 3.917 5.157 0.257 13 0 "[ . 1 . 2]" 1
350 1 66 LEU HA 1 69 ALA H 4.580 . 4.580 3.390 3.057 4.060 . 0 0 "[ . 1 . 2]" 1
351 1 69 ALA H 1 70 ILE HA 5.500 . 5.500 5.225 5.127 5.340 . 0 0 "[ . 1 . 2]" 1
352 1 70 ILE HA 1 74 LEU H 5.500 . 5.500 5.262 4.175 5.787 0.287 6 0 "[ . 1 . 2]" 1
353 1 70 ILE HA 1 72 PRO HG2 5.080 . 5.080 5.060 4.436 5.336 0.256 4 0 "[ . 1 . 2]" 1
354 1 70 ILE HA 1 70 ILE MG 3.330 . 3.330 3.201 2.931 3.224 . 0 0 "[ . 1 . 2]" 1
355 1 69 ALA MB 1 70 ILE HA 4.650 . 4.650 3.924 3.865 4.013 . 0 0 "[ . 1 . 2]" 1
356 1 89 LEU H 1 89 LEU HG 4.610 . 4.610 4.308 4.121 4.542 . 0 0 "[ . 1 . 2]" 1
357 1 89 LEU HG 1 90 LEU H 5.240 . 5.240 4.513 3.422 5.076 . 0 0 "[ . 1 . 2]" 1
358 1 89 LEU H 1 89 LEU MD1 4.990 . 4.990 4.186 4.020 4.303 . 0 0 "[ . 1 . 2]" 1
359 1 89 LEU H 1 89 LEU MD2 4.990 . 4.990 4.287 4.234 4.349 . 0 0 "[ . 1 . 2]" 1
360 1 102 THR MG 1 107 ILE H 4.260 . 4.260 3.911 3.266 4.331 0.071 11 0 "[ . 1 . 2]" 1
361 1 102 THR MG 1 106 VAL H 4.410 . 4.410 4.211 3.933 4.410 . 0 0 "[ . 1 . 2]" 1
362 1 102 THR HA 1 102 THR MG 3.670 . 3.670 2.568 2.350 3.177 . 0 0 "[ . 1 . 2]" 1
363 1 102 THR MG 1 106 VAL HB 4.820 . 4.820 4.235 4.005 4.580 . 0 0 "[ . 1 . 2]" 1
364 1 102 THR MG 1 107 ILE MD 3.530 . 3.530 2.887 1.998 3.594 0.064 7 0 "[ . 1 . 2]" 1
365 1 104 TYR HA 1 106 VAL MG2 4.080 . 4.080 4.171 3.924 4.283 0.203 10 0 "[ . 1 . 2]" 1
366 1 54 THR H 1 54 THR MG 3.560 . 3.560 2.642 2.052 3.606 0.046 1 0 "[ . 1 . 2]" 1
367 1 107 ILE HB 1 108 ILE H 4.820 . 4.820 2.462 2.283 2.686 . 0 0 "[ . 1 . 2]" 1
368 1 127 VAL HA 1 131 LEU H 4.260 . 4.260 3.991 3.811 4.146 . 0 0 "[ . 1 . 2]" 1
369 1 126 TYR HD2 1 127 VAL HA 5.210 . 5.210 3.288 2.847 3.919 . 0 0 "[ . 1 . 2]" 1
370 1 104 TYR HE2 1 105 ARG HD2 4.840 . 4.840 4.075 2.948 4.625 . 0 0 "[ . 1 . 2]" 1
371 1 104 TYR HE2 1 105 ARG HD3 4.840 . 4.840 3.192 2.353 5.085 0.245 14 0 "[ . 1 . 2]" 1
372 1 105 ARG HD2 1 106 VAL H 5.500 . 5.500 5.440 4.439 5.777 0.277 18 0 "[ . 1 . 2]" 1
373 1 105 ARG HD3 1 106 VAL H 5.500 . 5.500 5.152 4.542 5.350 . 0 0 "[ . 1 . 2]" 1
374 1 39 ARG HA 1 39 ARG HD3 4.870 . 4.870 3.750 2.095 4.739 . 0 0 "[ . 1 . 2]" 1
375 1 39 ARG HA 1 39 ARG HD2 4.870 . 4.870 3.466 1.904 5.133 0.263 19 0 "[ . 1 . 2]" 1
376 1 66 LEU MD1 1 93 THR HB 5.010 . 5.010 4.778 4.031 5.160 0.150 4 0 "[ . 1 . 2]" 1
377 1 78 ILE MD 1 86 ARG HD3 4.590 . 4.590 3.842 1.872 4.824 0.234 11 0 "[ . 1 . 2]" 1
378 1 92 ALA H 1 107 ILE MG 5.400 . 5.400 5.377 4.921 5.676 0.276 10 0 "[ . 1 . 2]" 1
379 1 95 GLU H 1 107 ILE MG 5.500 . 5.500 5.365 4.813 5.793 0.293 14 0 "[ . 1 . 2]" 1
380 1 42 LEU HG 1 44 TYR HB2 5.500 . 5.500 3.867 2.552 5.782 0.282 11 0 "[ . 1 . 2]" 1
381 1 42 LEU HG 1 44 TYR HB3 5.500 . 5.500 3.536 2.496 5.783 0.283 9 0 "[ . 1 . 2]" 1
382 1 28 ASN HB2 1 29 ALA H 4.740 . 4.740 4.415 3.939 4.609 . 0 0 "[ . 1 . 2]" 1
383 1 57 HIS HA 1 60 ILE HB 4.670 . 4.670 2.875 2.390 3.340 . 0 0 "[ . 1 . 2]" 1
384 1 108 ILE MD 1 109 ASN H 4.510 . 4.510 4.672 4.503 4.744 0.234 1 0 "[ . 1 . 2]" 1
385 1 100 ILE HB 1 101 GLU H 4.680 . 4.680 3.977 3.703 4.279 . 0 0 "[ . 1 . 2]" 1
386 1 100 ILE MD 1 102 THR H 4.600 . 4.600 4.096 3.725 4.719 0.119 6 0 "[ . 1 . 2]" 1
387 1 98 HIS H 1 100 ILE MD 5.500 . 5.500 4.849 4.354 5.629 0.129 5 0 "[ . 1 . 2]" 1
388 1 60 ILE MD 1 61 ARG H 4.860 . 4.860 4.495 4.283 4.713 . 0 0 "[ . 1 . 2]" 1
389 1 56 LEU HA 1 60 ILE MD 4.550 . 4.550 4.564 4.207 4.783 0.233 5 0 "[ . 1 . 2]" 1
390 1 62 GLU H 1 62 GLU HG2 4.930 . 4.930 3.782 2.119 4.640 . 0 0 "[ . 1 . 2]" 1
391 1 105 ARG HA 1 108 ILE H 4.650 . 4.650 3.859 3.448 4.192 . 0 0 "[ . 1 . 2]" 1
392 1 104 TYR HD2 1 105 ARG HA 4.870 . 4.870 3.248 2.930 3.567 . 0 0 "[ . 1 . 2]" 1
393 1 104 TYR HE2 1 105 ARG HA 5.010 . 5.010 3.923 3.559 4.238 . 0 0 "[ . 1 . 2]" 1
394 1 105 ARG HA 1 107 ILE H 5.500 . 5.500 4.544 4.309 4.855 . 0 0 "[ . 1 . 2]" 1
395 1 103 PRO HB3 1 106 VAL MG1 5.290 . 5.290 4.349 4.089 4.740 . 0 0 "[ . 1 . 2]" 1
396 1 103 PRO HB2 1 106 VAL MG1 4.030 . 4.030 3.085 2.775 3.642 . 0 0 "[ . 1 . 2]" 1
397 1 103 PRO HG3 1 106 VAL MG1 4.210 . 4.210 3.446 3.230 3.640 . 0 0 "[ . 1 . 2]" 1
398 1 77 PRO HB2 1 78 ILE HA 4.720 . 4.720 4.800 4.549 4.965 0.245 19 0 "[ . 1 . 2]" 1
399 1 125 LYS HA 1 129 GLY H 4.820 . 4.820 4.023 3.750 4.257 . 0 0 "[ . 1 . 2]" 1
400 1 104 TYR HE1 1 142 GLU HB3 4.830 . 4.830 2.319 1.790 3.124 0.010 18 0 "[ . 1 . 2]" 1
401 1 104 TYR HE1 1 142 GLU HB2 4.630 . 4.630 2.200 1.795 3.053 0.005 4 0 "[ . 1 . 2]" 1
402 1 141 ALA MB 1 142 GLU HB3 5.490 . 5.490 5.189 4.944 5.321 . 0 0 "[ . 1 . 2]" 1
403 1 141 ALA MB 1 142 GLU HB2 4.530 . 4.530 4.560 4.241 4.775 0.245 10 0 "[ . 1 . 2]" 1
404 1 142 GLU HB2 1 143 THR MG 4.680 . 4.680 3.242 2.747 3.632 . 0 0 "[ . 1 . 2]" 1
405 1 98 HIS HB2 1 99 GLN H 5.020 . 5.020 4.425 3.409 4.545 . 0 0 "[ . 1 . 2]" 1
406 1 98 HIS HB3 1 99 GLN H 5.020 . 5.020 4.427 4.315 4.524 . 0 0 "[ . 1 . 2]" 1
407 1 105 ARG HB3 1 106 VAL H 4.580 . 4.580 3.367 3.053 3.510 . 0 0 "[ . 1 . 2]" 1
408 1 66 LEU HG 1 94 TYR H 5.480 . 5.480 5.687 5.128 5.766 0.286 9 0 "[ . 1 . 2]" 1
409 1 46 LYS H 1 46 LYS HD3 4.720 . 4.720 3.636 2.815 4.968 0.248 19 0 "[ . 1 . 2]" 1
410 1 58 GLY HA2 1 94 TYR HE2 5.500 . 5.500 5.270 4.358 5.786 0.286 13 0 "[ . 1 . 2]" 1
411 1 17 ALA H 1 18 THR MG 4.710 . 4.710 4.186 3.866 4.968 0.258 4 0 "[ . 1 . 2]" 1
412 1 12 GLN H 1 47 ALA MB 4.670 . 4.670 3.666 2.767 4.355 . 0 0 "[ . 1 . 2]" 1
413 1 44 TYR H 1 47 ALA MB 5.340 . 5.340 4.465 3.949 5.610 0.270 5 0 "[ . 1 . 2]" 1
414 1 115 ALA MB 1 124 TYR HD1 5.500 . 5.500 5.356 4.753 5.785 0.285 19 0 "[ . 1 . 2]" 1
415 1 115 ALA MB 1 124 TYR HD2 5.500 . 5.500 5.331 4.836 5.783 0.283 19 0 "[ . 1 . 2]" 1
416 1 95 GLU H 1 107 ILE MD 5.500 . 5.500 5.543 5.091 5.787 0.287 8 0 "[ . 1 . 2]" 1
417 1 96 LEU H 1 107 ILE MD 4.580 . 4.580 4.009 3.564 4.337 . 0 0 "[ . 1 . 2]" 1
418 1 66 LEU MD1 1 94 TYR HB3 4.900 . 4.900 4.675 4.273 5.154 0.254 16 0 "[ . 1 . 2]" 1
419 1 66 LEU MD1 1 94 TYR HB2 4.840 . 4.840 3.451 3.125 3.817 . 0 0 "[ . 1 . 2]" 1
420 1 91 ILE MD 1 94 TYR HB2 5.500 . 5.500 4.797 4.178 5.172 . 0 0 "[ . 1 . 2]" 1
421 1 24 TRP HA 1 24 TRP HD1 3.690 . 3.690 2.801 2.299 3.124 . 0 0 "[ . 1 . 2]" 1
422 1 24 TRP HD1 1 34 ILE HG13 4.510 . 4.510 4.073 3.336 4.705 0.195 4 0 "[ . 1 . 2]" 1
423 1 24 TRP HD1 1 29 ALA MB 4.500 . 4.500 3.741 2.731 4.156 . 0 0 "[ . 1 . 2]" 1
424 1 24 TRP HD1 1 34 ILE MD 4.070 . 4.070 2.355 1.799 2.570 0.001 2 0 "[ . 1 . 2]" 1
425 1 121 SER HA 1 124 TYR HE1 4.270 . 4.270 2.449 1.795 3.182 0.005 8 0 "[ . 1 . 2]" 1
426 1 124 TYR HB2 1 124 TYR HE2 4.730 . 4.730 4.638 4.612 4.687 . 0 0 "[ . 1 . 2]" 1
427 1 124 TYR HB2 1 124 TYR HD2 3.670 . 3.670 2.349 2.299 2.420 . 0 0 "[ . 1 . 2]" 1
428 1 124 TYR HD1 1 125 LYS HA 4.750 . 4.750 4.917 4.584 4.997 0.247 10 0 "[ . 1 . 2]" 1
429 1 124 TYR HA 1 124 TYR HD1 4.440 . 4.440 4.263 3.994 4.426 . 0 0 "[ . 1 . 2]" 1
430 1 124 TYR HA 1 124 TYR HD2 4.860 . 4.860 4.119 3.933 4.431 . 0 0 "[ . 1 . 2]" 1
431 1 112 VAL MG1 1 124 TYR HD2 4.040 . 4.040 3.085 2.096 4.254 0.214 2 0 "[ . 1 . 2]" 1
432 1 104 TYR H 1 104 TYR HD1 3.870 . 3.870 2.331 1.974 2.971 . 0 0 "[ . 1 . 2]" 1
433 1 104 TYR HA 1 104 TYR HD1 4.600 . 4.600 4.290 4.135 4.562 . 0 0 "[ . 1 . 2]" 1
434 1 104 TYR HA 1 104 TYR HD2 4.870 . 4.870 4.149 3.885 4.300 . 0 0 "[ . 1 . 2]" 1
435 1 104 TYR HD1 1 142 GLU HB3 4.570 . 4.570 4.289 3.423 4.811 0.241 5 0 "[ . 1 . 2]" 1
436 1 104 TYR HD1 1 142 GLU HB2 4.370 . 4.370 3.937 2.532 4.601 0.231 8 0 "[ . 1 . 2]" 1
437 1 104 TYR HD2 1 108 ILE MD 3.600 . 3.600 1.927 1.796 2.083 0.004 1 0 "[ . 1 . 2]" 1
438 1 94 TYR H 1 94 TYR HD1 4.890 . 4.890 4.634 3.868 4.966 0.076 3 0 "[ . 1 . 2]" 1
439 1 94 TYR H 1 94 TYR HD2 5.280 . 5.280 4.632 4.294 5.036 . 0 0 "[ . 1 . 2]" 1
440 1 94 TYR HA 1 94 TYR HD2 4.050 . 4.050 2.252 1.788 2.958 0.012 13 0 "[ . 1 . 2]" 1
441 1 66 LEU HG 1 94 TYR HD1 3.720 . 3.720 2.495 1.786 3.414 0.014 7 0 "[ . 1 . 2]" 1
442 1 66 LEU MD1 1 94 TYR HD1 3.910 . 3.910 3.102 2.451 3.865 . 0 0 "[ . 1 . 2]" 1
443 1 66 LEU HG 1 94 TYR HE1 3.750 . 3.750 2.793 2.246 3.320 . 0 0 "[ . 1 . 2]" 1
444 1 55 ILE HA 1 94 TYR HE2 4.340 . 4.340 3.536 2.202 4.151 . 0 0 "[ . 1 . 2]" 1
445 1 94 TYR HA 1 94 TYR HE2 4.410 . 4.410 4.411 4.226 4.645 0.235 15 0 "[ . 1 . 2]" 1
446 1 66 LEU MD1 1 94 TYR HE1 4.810 . 4.810 4.104 3.490 4.647 . 0 0 "[ . 1 . 2]" 1
447 1 66 LEU MD2 1 94 TYR HE1 5.140 . 5.140 3.405 2.300 4.156 . 0 0 "[ . 1 . 2]" 1
448 1 58 GLY HA3 1 94 TYR HE2 4.190 . 4.190 3.665 2.728 4.212 0.022 1 0 "[ . 1 . 2]" 1
449 1 44 TYR HD1 1 45 ASP H 4.450 . 4.450 4.109 3.087 4.673 0.223 6 0 "[ . 1 . 2]" 1
450 1 117 THR H 1 118 PHE HD2 5.240 . 5.240 4.478 4.098 5.386 0.146 4 0 "[ . 1 . 2]" 1
451 1 118 PHE HA 1 118 PHE HD1 4.040 . 4.040 2.489 2.030 2.740 . 0 0 "[ . 1 . 2]" 1
452 1 114 LEU HG 1 118 PHE HD2 5.440 . 5.440 5.433 4.312 5.722 0.282 9 0 "[ . 1 . 2]" 1
453 1 114 LEU HG 1 118 PHE HE2 4.910 . 4.910 4.540 3.525 5.060 0.150 1 0 "[ . 1 . 2]" 1
454 1 57 HIS H 1 57 HIS HD2 4.420 . 4.420 3.716 2.175 4.652 0.232 3 0 "[ . 1 . 2]" 1
455 1 57 HIS HA 1 57 HIS HD2 3.610 . 3.610 2.958 2.381 3.796 0.186 8 0 "[ . 1 . 2]" 1
456 1 97 THR HB 1 98 HIS HD2 4.030 . 4.030 3.611 2.920 4.237 0.207 18 0 "[ . 1 . 2]" 1
457 1 24 TRP HE3 1 34 ILE MD 5.430 . 5.430 5.409 5.077 5.654 0.224 13 0 "[ . 1 . 2]" 1
458 1 126 TYR HD2 1 127 VAL H 4.020 . 4.020 3.099 2.835 3.431 . 0 0 "[ . 1 . 2]" 1
459 1 126 TYR HA 1 126 TYR HD1 3.410 . 3.410 2.892 2.719 3.292 . 0 0 "[ . 1 . 2]" 1
460 1 126 TYR HD2 1 127 VAL MG1 4.410 . 4.410 4.312 3.981 4.513 0.103 19 0 "[ . 1 . 2]" 1
461 1 126 TYR HD2 1 127 VAL MG2 4.410 . 4.410 4.363 4.208 4.587 0.177 10 0 "[ . 1 . 2]" 1
462 1 22 TYR H 1 22 TYR HD1 5.220 . 5.220 4.599 2.051 4.951 . 0 0 "[ . 1 . 2]" 1
463 1 22 TYR H 1 22 TYR HD2 5.500 . 5.500 4.751 4.501 5.000 . 0 0 "[ . 1 . 2]" 1
464 1 22 TYR HD1 1 23 GLN H 4.060 . 4.060 3.656 3.138 4.290 0.230 20 0 "[ . 1 . 2]" 1
465 1 22 TYR HA 1 22 TYR HD2 3.500 . 3.500 2.527 2.306 3.412 . 0 0 "[ . 1 . 2]" 1
466 1 19 GLN HA 1 22 TYR HD1 4.600 . 4.600 3.891 2.685 4.804 0.204 2 0 "[ . 1 . 2]" 1
467 1 6 LYS H 1 7 LYS HA 5.220 . 5.220 4.963 4.195 5.538 0.318 5 0 "[ . 1 . 2]" 1
468 1 8 SER HB3 1 9 ALA H 4.760 . 4.760 3.368 2.237 4.168 . 0 0 "[ . 1 . 2]" 1
469 1 9 ALA H 1 10 ARG H 4.560 . 4.560 2.588 2.422 2.915 . 0 0 "[ . 1 . 2]" 1
470 1 10 ARG H 1 11 ARG H 4.130 . 4.130 2.723 2.595 2.790 . 0 0 "[ . 1 . 2]" 1
471 1 11 ARG H 1 12 GLN H 3.770 . 3.770 2.771 2.591 2.945 . 0 0 "[ . 1 . 2]" 1
472 1 11 ARG H 1 13 SER H 4.800 . 4.800 4.373 4.091 4.653 . 0 0 "[ . 1 . 2]" 1
473 1 12 GLN H 1 47 ALA HA 4.750 . 4.750 4.526 3.504 4.996 0.246 9 0 "[ . 1 . 2]" 1
474 1 13 SER H 1 14 ARG H 4.130 . 4.130 2.681 2.498 2.937 . 0 0 "[ . 1 . 2]" 1
475 1 12 GLN H 1 13 SER H 3.930 . 3.930 2.700 2.515 2.843 . 0 0 "[ . 1 . 2]" 1
476 1 13 SER H 1 47 ALA HA 4.030 . 4.030 3.809 2.521 4.239 0.209 9 0 "[ . 1 . 2]" 1
477 1 13 SER H 1 47 ALA MB 4.000 . 4.000 2.625 2.050 3.300 . 0 0 "[ . 1 . 2]" 1
478 1 12 GLN H 1 14 ARG H 4.700 . 4.700 4.096 3.817 4.368 . 0 0 "[ . 1 . 2]" 1
479 1 12 GLN HA 1 14 ARG H 4.910 . 4.910 4.191 3.732 4.530 . 0 0 "[ . 1 . 2]" 1
480 1 14 ARG H 1 47 ALA MB 4.890 . 4.890 4.794 4.373 5.135 0.245 8 0 "[ . 1 . 2]" 1
481 1 14 ARG H 1 15 GLU H 4.130 . 4.130 2.641 2.512 3.004 . 0 0 "[ . 1 . 2]" 1
482 1 12 GLN HA 1 15 GLU H 3.970 . 3.970 3.582 3.163 4.076 0.106 16 0 "[ . 1 . 2]" 1
483 1 17 ALA HA 1 21 LEU H 4.560 . 4.560 4.232 3.926 4.444 . 0 0 "[ . 1 . 2]" 1
484 1 15 GLU H 1 16 LEU H 3.720 . 3.720 2.723 2.595 2.912 . 0 0 "[ . 1 . 2]" 1
485 1 12 GLN HA 1 16 LEU H 5.410 . 5.410 4.686 4.037 5.687 0.277 19 0 "[ . 1 . 2]" 1
486 1 91 ILE H 1 91 ILE MG 3.880 . 3.880 3.708 3.610 3.779 . 0 0 "[ . 1 . 2]" 1
487 1 16 LEU H 1 17 ALA H 3.850 . 3.850 2.636 2.451 2.800 . 0 0 "[ . 1 . 2]" 1
488 1 17 ALA H 1 17 ALA MB 3.280 . 3.280 2.242 2.218 2.263 . 0 0 "[ . 1 . 2]" 1
489 1 22 TYR H 1 22 TYR HB2 3.860 . 3.860 2.644 2.349 2.940 . 0 0 "[ . 1 . 2]" 1
490 1 22 TYR H 1 22 TYR HB3 3.860 . 3.860 2.530 2.182 3.593 . 0 0 "[ . 1 . 2]" 1
491 1 17 ALA H 1 18 THR H 4.030 . 4.030 2.656 2.399 2.756 . 0 0 "[ . 1 . 2]" 1
492 1 18 THR H 1 18 THR HB 3.630 . 3.630 2.847 2.039 3.634 0.004 7 0 "[ . 1 . 2]" 1
493 1 19 GLN H 1 21 LEU H 4.700 . 4.700 4.169 3.956 4.445 . 0 0 "[ . 1 . 2]" 1
494 1 18 THR H 1 19 GLN H 3.880 . 3.880 2.729 2.596 2.901 . 0 0 "[ . 1 . 2]" 1
495 1 19 GLN H 1 19 GLN HG3 3.970 . 3.970 3.214 1.814 3.852 . 0 0 "[ . 1 . 2]" 1
496 1 19 GLN H 1 19 GLN HG2 3.970 . 3.970 2.581 1.982 3.680 . 0 0 "[ . 1 . 2]" 1
497 1 18 THR MG 1 19 GLN H 4.170 . 4.170 2.930 2.216 4.158 . 0 0 "[ . 1 . 2]" 1
498 1 20 GLY H 1 21 LEU H 3.890 . 3.890 2.711 2.506 2.877 . 0 0 "[ . 1 . 2]" 1
499 1 19 GLN H 1 20 GLY H 3.940 . 3.940 2.662 2.477 2.861 . 0 0 "[ . 1 . 2]" 1
500 1 17 ALA HA 1 20 GLY H 3.990 . 3.990 3.512 3.146 3.836 . 0 0 "[ . 1 . 2]" 1
501 1 19 GLN HG3 1 20 GLY H 4.900 . 4.900 4.450 2.335 4.993 0.093 5 0 "[ . 1 . 2]" 1
502 1 22 TYR H 1 23 GLN H 4.030 . 4.030 2.709 2.603 2.809 . 0 0 "[ . 1 . 2]" 1
503 1 22 TYR HD2 1 23 GLN H 5.500 . 5.500 5.195 4.760 5.471 . 0 0 "[ . 1 . 2]" 1
504 1 22 TYR HB2 1 23 GLN H 4.430 . 4.430 3.786 2.490 3.982 . 0 0 "[ . 1 . 2]" 1
505 1 22 TYR HB3 1 23 GLN H 4.430 . 4.430 2.537 2.385 3.231 . 0 0 "[ . 1 . 2]" 1
506 1 23 GLN H 1 23 GLN HG2 4.680 . 4.680 4.601 4.282 4.646 . 0 0 "[ . 1 . 2]" 1
507 1 23 GLN H 1 23 GLN HB3 3.730 . 3.730 2.511 2.392 2.854 . 0 0 "[ . 1 . 2]" 1
508 1 23 GLN H 1 89 LEU MD1 5.500 . 5.500 4.574 3.746 5.303 . 0 0 "[ . 1 . 2]" 1
509 1 23 GLN H 1 89 LEU MD2 5.500 . 5.500 5.248 4.634 5.782 0.282 19 0 "[ . 1 . 2]" 1
510 1 23 GLN H 1 24 TRP H 4.160 . 4.160 2.700 2.628 2.823 . 0 0 "[ . 1 . 2]" 1
511 1 24 TRP H 1 24 TRP HE3 5.180 . 5.180 4.854 4.719 5.084 . 0 0 "[ . 1 . 2]" 1
512 1 21 LEU HA 1 24 TRP H 4.410 . 4.410 3.441 3.262 3.763 . 0 0 "[ . 1 . 2]" 1
513 1 24 TRP H 1 24 TRP HB2 3.930 . 3.930 2.521 2.391 2.640 . 0 0 "[ . 1 . 2]" 1
514 1 24 TRP H 1 24 TRP HB3 3.930 . 3.930 2.588 2.484 2.751 . 0 0 "[ . 1 . 2]" 1
515 1 23 GLN HG3 1 24 TRP H 4.930 . 4.930 3.847 3.537 5.035 0.105 20 0 "[ . 1 . 2]" 1
516 1 24 TRP HE1 1 30 ALA MB 4.920 . 4.920 4.817 4.100 5.177 0.257 6 0 "[ . 1 . 2]" 1
517 1 24 TRP HE1 1 29 ALA MB 5.270 . 5.270 5.193 3.941 5.535 0.265 12 0 "[ . 1 . 2]" 1
518 1 24 TRP HE1 1 34 ILE MD 4.470 . 4.470 4.559 4.104 4.696 0.226 7 0 "[ . 1 . 2]" 1
519 1 24 TRP H 1 25 LEU H 4.180 . 4.180 2.679 2.574 2.792 . 0 0 "[ . 1 . 2]" 1
520 1 24 TRP HE3 1 25 LEU H 4.140 . 4.140 3.418 2.939 4.351 0.211 12 0 "[ . 1 . 2]" 1
521 1 25 LEU H 1 27 SER H 4.860 . 4.860 4.496 4.214 4.651 . 0 0 "[ . 1 . 2]" 1
522 1 81 LEU HA 1 82 SER H 3.110 . 3.110 2.247 2.146 2.503 . 0 0 "[ . 1 . 2]" 1
523 1 81 LEU HG 1 82 SER H 5.080 . 5.080 4.144 2.590 5.324 0.244 3 0 "[ . 1 . 2]" 1
524 1 23 GLN HB3 1 25 LEU H 5.420 . 5.420 5.221 5.004 5.467 0.047 1 0 "[ . 1 . 2]" 1
525 1 25 LEU H 1 26 LEU H 3.860 . 3.860 2.591 2.504 2.749 . 0 0 "[ . 1 . 2]" 1
526 1 26 LEU H 1 28 ASN H 4.680 . 4.680 3.590 3.417 3.805 . 0 0 "[ . 1 . 2]" 1
527 1 23 GLN HA 1 26 LEU H 4.160 . 4.160 3.496 3.328 3.728 . 0 0 "[ . 1 . 2]" 1
528 1 25 LEU HB2 1 26 LEU H 4.340 . 4.340 3.629 2.881 4.076 . 0 0 "[ . 1 . 2]" 1
529 1 26 LEU H 1 26 LEU HB3 3.730 . 3.730 2.698 2.390 3.656 . 0 0 "[ . 1 . 2]" 1
530 1 26 LEU H 1 26 LEU HB2 3.730 . 3.730 2.586 2.296 2.714 . 0 0 "[ . 1 . 2]" 1
531 1 25 LEU HB3 1 26 LEU H 4.340 . 4.340 3.209 2.675 4.023 . 0 0 "[ . 1 . 2]" 1
532 1 25 LEU HG 1 26 LEU H 4.620 . 4.620 4.248 3.878 4.747 0.127 14 0 "[ . 1 . 2]" 1
533 1 26 LEU H 1 26 LEU MD1 4.440 . 4.440 3.998 2.316 4.233 . 0 0 "[ . 1 . 2]" 1
534 1 75 ASP H 1 76 ARG H 3.500 . 3.500 2.483 2.188 2.944 . 0 0 "[ . 1 . 2]" 1
535 1 74 LEU HA 1 76 ARG H 4.320 . 4.320 4.081 3.542 4.551 0.231 17 0 "[ . 1 . 2]" 1
536 1 74 LEU HB2 1 76 ARG H 3.570 . 3.570 2.910 2.480 3.494 . 0 0 "[ . 1 . 2]" 1
537 1 74 LEU HB3 1 76 ARG H 3.270 . 3.270 2.522 1.962 3.122 . 0 0 "[ . 1 . 2]" 1
538 1 26 LEU H 1 27 SER H 3.480 . 3.480 2.547 2.288 2.634 . 0 0 "[ . 1 . 2]" 1
539 1 27 SER H 1 28 ASN H 3.400 . 3.400 2.349 2.111 2.601 . 0 0 "[ . 1 . 2]" 1
540 1 27 SER H 1 29 ALA H 4.400 . 4.400 4.052 3.727 4.441 0.041 8 0 "[ . 1 . 2]" 1
541 1 23 GLN HA 1 27 SER H 4.230 . 4.230 3.512 3.084 3.934 . 0 0 "[ . 1 . 2]" 1
542 1 26 LEU HB2 1 27 SER H 3.860 . 3.860 3.470 2.169 3.809 . 0 0 "[ . 1 . 2]" 1
543 1 26 LEU HB3 1 27 SER H 3.860 . 3.860 2.555 2.216 3.837 . 0 0 "[ . 1 . 2]" 1
544 1 26 LEU MD2 1 27 SER H 4.780 . 4.780 4.136 3.838 4.720 . 0 0 "[ . 1 . 2]" 1
545 1 26 LEU MD1 1 27 SER H 4.780 . 4.780 4.080 2.873 4.609 . 0 0 "[ . 1 . 2]" 1
546 1 28 ASN H 1 28 ASN HB2 4.180 . 4.180 3.252 3.014 3.559 . 0 0 "[ . 1 . 2]" 1
547 1 28 ASN H 1 28 ASN HB3 4.180 . 4.180 3.815 3.605 4.118 . 0 0 "[ . 1 . 2]" 1
548 1 28 ASN H 1 29 ALA MB 4.550 . 4.550 4.300 4.175 4.372 . 0 0 "[ . 1 . 2]" 1
549 1 28 ASN H 1 29 ALA H 3.540 . 3.540 2.647 2.536 2.737 . 0 0 "[ . 1 . 2]" 1
550 1 24 TRP HE1 1 29 ALA H 5.370 . 5.370 5.226 4.538 5.615 0.245 16 0 "[ . 1 . 2]" 1
551 1 24 TRP HD1 1 29 ALA H 4.000 . 4.000 3.921 3.407 4.203 0.203 3 0 "[ . 1 . 2]" 1
552 1 27 SER HA 1 29 ALA H 4.520 . 4.520 4.532 4.083 4.760 0.240 6 0 "[ . 1 . 2]" 1
553 1 28 ASN HA 1 29 ALA H 3.350 . 3.350 2.867 2.701 3.091 . 0 0 "[ . 1 . 2]" 1
554 1 28 ASN HB3 1 29 ALA H 4.740 . 4.740 4.245 3.895 4.448 . 0 0 "[ . 1 . 2]" 1
555 1 29 ALA H 1 29 ALA MB 2.900 . 2.900 2.252 2.219 2.295 . 0 0 "[ . 1 . 2]" 1
556 1 29 ALA H 1 34 ILE MD 4.060 . 4.060 3.305 2.719 3.988 . 0 0 "[ . 1 . 2]" 1
557 1 29 ALA H 1 34 ILE HG13 5.500 . 5.500 5.107 4.563 5.670 0.170 20 0 "[ . 1 . 2]" 1
558 1 29 ALA H 1 30 ALA H 4.560 . 4.560 4.141 3.094 4.607 0.047 4 0 "[ . 1 . 2]" 1
559 1 30 ALA H 1 33 GLU H 4.870 . 4.870 4.492 4.146 4.993 0.123 1 0 "[ . 1 . 2]" 1
560 1 29 ALA MB 1 30 ALA H 3.190 . 3.190 2.060 1.837 2.366 . 0 0 "[ . 1 . 2]" 1
561 1 32 GLY H 1 33 GLU H 3.880 . 3.880 2.676 2.539 2.793 . 0 0 "[ . 1 . 2]" 1
562 1 33 GLU H 1 35 ASP H 4.260 . 4.260 3.951 3.569 4.250 . 0 0 "[ . 1 . 2]" 1
563 1 33 GLU H 1 34 ILE H 3.370 . 3.370 2.683 2.451 2.964 . 0 0 "[ . 1 . 2]" 1
564 1 33 GLU H 1 33 GLU HB2 3.700 . 3.700 2.438 2.224 2.630 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLU H 1 33 GLU HB3 3.700 . 3.700 3.474 2.448 3.609 . 0 0 "[ . 1 . 2]" 1
566 1 30 ALA MB 1 33 GLU H 3.400 . 3.400 2.676 2.393 2.910 . 0 0 "[ . 1 . 2]" 1
567 1 29 ALA MB 1 33 GLU H 5.010 . 5.010 4.891 4.575 5.230 0.220 13 0 "[ . 1 . 2]" 1
568 1 33 GLU H 1 36 ALA MB 5.260 . 5.260 5.112 4.671 5.521 0.261 4 0 "[ . 1 . 2]" 1
569 1 34 ILE H 1 34 ILE HB 3.590 . 3.590 2.496 2.370 2.578 . 0 0 "[ . 1 . 2]" 1
570 1 34 ILE H 1 34 ILE HG13 3.780 . 3.780 2.245 2.047 2.546 . 0 0 "[ . 1 . 2]" 1
571 1 34 ILE H 1 34 ILE HG12 4.030 . 4.030 3.531 3.368 3.775 . 0 0 "[ . 1 . 2]" 1
572 1 34 ILE H 1 35 ASP H 3.520 . 3.520 2.366 2.248 2.489 . 0 0 "[ . 1 . 2]" 1
573 1 35 ASP H 1 36 ALA H 3.470 . 3.470 2.715 2.636 2.800 . 0 0 "[ . 1 . 2]" 1
574 1 35 ASP H 1 37 GLN H 4.550 . 4.550 4.464 4.255 4.633 0.083 15 0 "[ . 1 . 2]" 1
575 1 35 ASP H 1 35 ASP HB2 3.350 . 3.350 2.517 2.376 2.582 . 0 0 "[ . 1 . 2]" 1
576 1 35 ASP H 1 35 ASP HB3 3.690 . 3.690 2.533 2.451 2.656 . 0 0 "[ . 1 . 2]" 1
577 1 34 ILE HB 1 35 ASP H 3.400 . 3.400 2.696 2.504 2.900 . 0 0 "[ . 1 . 2]" 1
578 1 34 ILE HG13 1 35 ASP H 4.500 . 4.500 4.166 3.964 4.418 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE HG12 1 35 ASP H 5.330 . 5.330 4.980 4.878 5.138 . 0 0 "[ . 1 . 2]" 1
580 1 36 ALA H 1 37 GLN H 3.400 . 3.400 2.804 2.572 2.920 . 0 0 "[ . 1 . 2]" 1
581 1 33 GLU HA 1 36 ALA H 4.450 . 4.450 3.991 3.583 4.324 . 0 0 "[ . 1 . 2]" 1
582 1 35 ASP HB3 1 36 ALA H 3.290 . 3.290 2.835 2.565 2.917 . 0 0 "[ . 1 . 2]" 1
583 1 34 ILE HB 1 36 ALA H 4.900 . 4.900 4.936 4.743 5.150 0.250 9 0 "[ . 1 . 2]" 1
584 1 37 GLN H 1 38 LEU H 3.480 . 3.480 2.648 2.476 2.795 . 0 0 "[ . 1 . 2]" 1
585 1 34 ILE HA 1 37 GLN H 4.130 . 4.130 3.758 3.337 4.038 . 0 0 "[ . 1 . 2]" 1
586 1 36 ALA H 1 38 LEU H 4.950 . 4.950 4.364 4.018 4.607 . 0 0 "[ . 1 . 2]" 1
587 1 37 GLN HB2 1 38 LEU H 4.730 . 4.730 3.057 2.451 3.969 . 0 0 "[ . 1 . 2]" 1
588 1 37 GLN HB3 1 38 LEU H 4.730 . 4.730 3.742 3.253 4.069 . 0 0 "[ . 1 . 2]" 1
589 1 38 LEU H 1 38 LEU HB2 3.640 . 3.640 2.508 2.183 2.680 . 0 0 "[ . 1 . 2]" 1
590 1 38 LEU H 1 38 LEU HB3 3.640 . 3.640 2.756 2.438 3.627 . 0 0 "[ . 1 . 2]" 1
591 1 38 LEU H 1 39 ARG H 3.700 . 3.700 2.423 2.245 2.626 . 0 0 "[ . 1 . 2]" 1
592 1 37 GLN H 1 39 ARG H 4.520 . 4.520 3.894 3.593 4.355 . 0 0 "[ . 1 . 2]" 1
593 1 36 ALA HA 1 39 ARG H 4.150 . 4.150 3.296 2.955 3.819 . 0 0 "[ . 1 . 2]" 1
594 1 39 ARG H 1 39 ARG HD3 4.820 . 4.820 4.231 2.564 4.978 0.158 10 0 "[ . 1 . 2]" 1
595 1 38 LEU HA 1 40 GLY H 4.260 . 4.260 3.949 3.649 4.383 0.123 20 0 "[ . 1 . 2]" 1
596 1 40 GLY H 1 41 ALA H 3.250 . 3.250 2.535 2.322 2.907 . 0 0 "[ . 1 . 2]" 1
597 1 41 ALA H 1 42 LEU H 4.330 . 4.330 3.986 3.834 4.489 0.159 15 0 "[ . 1 . 2]" 1
598 1 38 LEU HA 1 41 ALA H 3.870 . 3.870 3.282 2.815 4.038 0.168 10 0 "[ . 1 . 2]" 1
599 1 39 ARG HA 1 41 ALA H 4.890 . 4.890 4.600 3.735 5.119 0.229 5 0 "[ . 1 . 2]" 1
600 1 38 LEU MD1 1 41 ALA H 5.500 . 5.500 4.713 3.687 5.791 0.291 8 0 "[ . 1 . 2]" 1
601 1 38 LEU MD2 1 41 ALA H 5.500 . 5.500 5.125 3.656 5.809 0.309 19 0 "[ . 1 . 2]" 1
602 1 41 ALA HA 1 42 LEU H 3.350 . 3.350 2.229 2.155 2.299 . 0 0 "[ . 1 . 2]" 1
603 1 42 LEU H 1 43 GLY H 4.820 . 4.820 4.443 4.304 4.595 . 0 0 "[ . 1 . 2]" 1
604 1 41 ALA MB 1 42 LEU H 3.530 . 3.530 3.501 2.615 3.602 0.072 9 0 "[ . 1 . 2]" 1
605 1 43 GLY H 1 45 ASP H 5.240 . 5.240 4.551 4.163 5.002 . 0 0 "[ . 1 . 2]" 1
606 1 42 LEU HG 1 43 GLY H 4.140 . 4.140 3.521 3.183 4.357 0.217 19 0 "[ . 1 . 2]" 1
607 1 44 TYR H 1 44 TYR HD2 3.780 . 3.780 3.749 2.297 4.004 0.224 9 0 "[ . 1 . 2]" 1
608 1 43 GLY H 1 44 TYR H 3.690 . 3.690 2.781 2.188 3.317 . 0 0 "[ . 1 . 2]" 1
609 1 44 TYR H 1 44 TYR HB2 3.620 . 3.620 2.398 2.154 3.616 . 0 0 "[ . 1 . 2]" 1
610 1 44 TYR H 1 44 TYR HB3 3.620 . 3.620 2.823 2.444 2.930 . 0 0 "[ . 1 . 2]" 1
611 1 42 LEU HG 1 44 TYR H 3.890 . 3.890 2.922 2.163 4.085 0.195 19 0 "[ . 1 . 2]" 1
612 1 44 TYR H 1 45 ASP H 3.580 . 3.580 2.869 2.619 3.090 . 0 0 "[ . 1 . 2]" 1
613 1 45 ASP H 1 46 LYS H 3.460 . 3.460 2.484 2.345 2.670 . 0 0 "[ . 1 . 2]" 1
614 1 44 TYR HD2 1 45 ASP H 5.160 . 5.160 5.206 3.902 5.433 0.273 15 0 "[ . 1 . 2]" 1
615 1 44 TYR HB2 1 45 ASP H 4.050 . 4.050 3.644 3.389 4.144 0.094 3 0 "[ . 1 . 2]" 1
616 1 44 TYR HB3 1 45 ASP H 4.050 . 4.050 2.735 2.207 4.243 0.193 3 0 "[ . 1 . 2]" 1
617 1 45 ASP H 1 45 ASP HB2 3.710 . 3.710 2.620 2.422 3.639 . 0 0 "[ . 1 . 2]" 1
618 1 45 ASP H 1 45 ASP HB3 3.710 . 3.710 2.859 2.426 3.624 . 0 0 "[ . 1 . 2]" 1
619 1 45 ASP H 1 47 ALA MB 4.960 . 4.960 4.623 4.233 5.105 0.145 5 0 "[ . 1 . 2]" 1
620 1 42 LEU HG 1 45 ASP H 4.990 . 4.990 2.833 2.004 5.248 0.258 9 0 "[ . 1 . 2]" 1
621 1 46 LYS H 1 46 LYS HD2 4.720 . 4.720 3.775 2.307 4.966 0.246 17 0 "[ . 1 . 2]" 1
622 1 45 ASP H 1 47 ALA H 4.450 . 4.450 4.071 3.588 4.495 0.045 8 0 "[ . 1 . 2]" 1
623 1 46 LYS H 1 47 ALA H 3.080 . 3.080 2.446 1.998 3.037 . 0 0 "[ . 1 . 2]" 1
624 1 44 TYR HA 1 47 ALA H 4.710 . 4.710 3.938 3.227 4.534 . 0 0 "[ . 1 . 2]" 1
625 1 47 ALA H 1 47 ALA MB 3.070 . 3.070 2.306 2.224 2.513 . 0 0 "[ . 1 . 2]" 1
626 1 9 ALA MB 1 47 ALA H 4.870 . 4.870 4.852 4.108 5.132 0.262 19 0 "[ . 1 . 2]" 1
627 1 13 SER H 1 48 ASP H 5.500 . 5.500 5.585 3.609 5.796 0.296 13 0 "[ . 1 . 2]" 1
628 1 50 THR H 1 51 LEU H 3.330 . 3.330 2.520 2.333 2.752 . 0 0 "[ . 1 . 2]" 1
629 1 50 THR H 1 50 THR HB 3.120 . 3.120 2.654 2.556 2.812 . 0 0 "[ . 1 . 2]" 1
630 1 50 THR H 1 50 THR MG 3.990 . 3.990 3.773 3.725 3.799 . 0 0 "[ . 1 . 2]" 1
631 1 78 ILE H 1 79 ASP H 3.670 . 3.670 2.702 2.339 2.855 . 0 0 "[ . 1 . 2]" 1
632 1 79 ASP H 1 79 ASP HB2 3.660 . 3.660 2.654 2.379 3.676 0.016 12 0 "[ . 1 . 2]" 1
633 1 79 ASP H 1 79 ASP HB3 3.660 . 3.660 3.016 2.304 3.608 . 0 0 "[ . 1 . 2]" 1
634 1 77 PRO HB3 1 79 ASP H 4.640 . 4.640 3.877 3.411 4.268 . 0 0 "[ . 1 . 2]" 1
635 1 78 ILE MG 1 79 ASP H 3.010 . 3.010 2.555 2.335 2.819 . 0 0 "[ . 1 . 2]" 1
636 1 50 THR HB 1 51 LEU H 3.710 . 3.710 2.882 2.699 3.010 . 0 0 "[ . 1 . 2]" 1
637 1 51 LEU H 1 52 LEU H 3.960 . 3.960 2.612 2.449 2.800 . 0 0 "[ . 1 . 2]" 1
638 1 50 THR HA 1 52 LEU H 4.170 . 4.170 4.014 3.570 4.380 0.210 3 0 "[ . 1 . 2]" 1
639 1 52 LEU H 1 52 LEU HG 3.620 . 3.620 2.387 2.023 2.795 . 0 0 "[ . 1 . 2]" 1
640 1 53 ASP H 1 54 THR H 3.610 . 3.610 2.776 2.318 3.046 . 0 0 "[ . 1 . 2]" 1
641 1 52 LEU H 1 53 ASP H 3.480 . 3.480 2.808 2.627 2.931 . 0 0 "[ . 1 . 2]" 1
642 1 50 THR HA 1 53 ASP H 4.150 . 4.150 4.141 3.678 4.373 0.223 5 0 "[ . 1 . 2]" 1
643 1 53 ASP H 1 53 ASP HB2 3.710 . 3.710 2.563 2.379 2.747 . 0 0 "[ . 1 . 2]" 1
644 1 53 ASP H 1 53 ASP HB3 3.710 . 3.710 2.917 2.359 3.626 . 0 0 "[ . 1 . 2]" 1
645 1 53 ASP H 1 54 THR MG 4.880 . 4.880 4.560 4.080 5.168 0.288 1 0 "[ . 1 . 2]" 1
646 1 52 LEU HG 1 53 ASP H 4.280 . 4.280 3.103 2.268 4.504 0.224 18 0 "[ . 1 . 2]" 1
647 1 54 THR H 1 56 LEU H 4.810 . 4.810 4.311 4.080 4.610 . 0 0 "[ . 1 . 2]" 1
648 1 54 THR H 1 54 THR HB 3.500 . 3.500 2.410 2.046 2.673 . 0 0 "[ . 1 . 2]" 1
649 1 53 ASP HB2 1 54 THR H 3.870 . 3.870 3.279 2.358 3.946 0.076 13 0 "[ . 1 . 2]" 1
650 1 53 ASP HB3 1 54 THR H 3.870 . 3.870 2.818 2.279 3.561 . 0 0 "[ . 1 . 2]" 1
651 1 54 THR H 1 55 ILE MD 5.500 . 5.500 5.047 4.851 5.566 0.066 4 0 "[ . 1 . 2]" 1
652 1 54 THR H 1 56 LEU HG 5.500 . 5.500 4.960 4.687 5.474 . 0 0 "[ . 1 . 2]" 1
653 1 55 ILE H 1 56 LEU H 3.840 . 3.840 2.739 2.607 2.934 . 0 0 "[ . 1 . 2]" 1
654 1 54 THR HB 1 55 ILE H 4.010 . 4.010 3.675 2.786 4.082 0.072 17 0 "[ . 1 . 2]" 1
655 1 55 ILE H 1 55 ILE HB 3.640 . 3.640 2.494 2.407 2.584 . 0 0 "[ . 1 . 2]" 1
656 1 54 THR MG 1 55 ILE H 3.790 . 3.790 2.472 2.271 2.995 . 0 0 "[ . 1 . 2]" 1
657 1 55 ILE H 1 55 ILE MD 3.640 . 3.640 3.404 3.177 3.618 . 0 0 "[ . 1 . 2]" 1
658 1 107 ILE H 1 108 ILE H 4.250 . 4.250 2.745 2.634 2.871 . 0 0 "[ . 1 . 2]" 1
659 1 108 ILE H 1 108 ILE HB 3.810 . 3.810 2.520 2.468 2.552 . 0 0 "[ . 1 . 2]" 1
660 1 107 ILE MG 1 108 ILE H 3.930 . 3.930 3.313 3.141 3.507 . 0 0 "[ . 1 . 2]" 1
661 1 56 LEU H 1 57 HIS H 3.980 . 3.980 2.621 2.482 2.811 . 0 0 "[ . 1 . 2]" 1
662 1 56 LEU H 1 56 LEU HG 3.450 . 3.450 2.483 2.311 2.704 . 0 0 "[ . 1 . 2]" 1
663 1 54 THR MG 1 56 LEU H 4.700 . 4.700 4.535 4.378 4.894 0.194 1 0 "[ . 1 . 2]" 1
664 1 55 ILE HB 1 56 LEU H 3.730 . 3.730 2.839 2.560 3.065 . 0 0 "[ . 1 . 2]" 1
665 1 57 HIS H 1 57 HIS HB2 4.190 . 4.190 2.414 2.110 2.648 . 0 0 "[ . 1 . 2]" 1
666 1 57 HIS H 1 57 HIS HB3 4.190 . 4.190 3.385 2.746 3.631 . 0 0 "[ . 1 . 2]" 1
667 1 54 THR MG 1 57 HIS H 5.040 . 5.040 4.885 3.944 5.294 0.254 17 0 "[ . 1 . 2]" 1
668 1 56 LEU HG 1 57 HIS H 4.080 . 4.080 2.175 1.900 2.577 . 0 0 "[ . 1 . 2]" 1
669 1 57 HIS H 1 58 GLY H 3.720 . 3.720 2.586 2.436 2.685 . 0 0 "[ . 1 . 2]" 1
670 1 58 GLY H 1 59 VAL H 3.840 . 3.840 2.654 2.526 2.840 . 0 0 "[ . 1 . 2]" 1
671 1 56 LEU H 1 58 GLY H 4.860 . 4.860 3.893 3.581 4.378 . 0 0 "[ . 1 . 2]" 1
672 1 58 GLY H 1 94 TYR HE2 5.500 . 5.500 4.930 3.949 5.782 0.282 3 0 "[ . 1 . 2]" 1
673 1 55 ILE HA 1 58 GLY H 4.700 . 4.700 3.153 2.850 3.479 . 0 0 "[ . 1 . 2]" 1
674 1 54 THR MG 1 58 GLY H 4.970 . 4.970 4.545 4.027 5.223 0.253 2 0 "[ . 1 . 2]" 1
675 1 59 VAL H 1 60 ILE H 3.930 . 3.930 2.614 2.471 2.838 . 0 0 "[ . 1 . 2]" 1
676 1 55 ILE HA 1 59 VAL H 4.490 . 4.490 4.138 3.830 4.393 . 0 0 "[ . 1 . 2]" 1
677 1 59 VAL H 1 59 VAL HB 3.760 . 3.760 2.558 2.280 3.654 . 0 0 "[ . 1 . 2]" 1
678 1 59 VAL H 1 60 ILE HB 4.940 . 4.940 4.810 4.639 5.072 0.132 13 0 "[ . 1 . 2]" 1
679 1 59 VAL H 1 59 VAL MG2 4.240 . 4.240 3.172 2.093 3.817 . 0 0 "[ . 1 . 2]" 1
680 1 57 HIS HA 1 60 ILE H 4.540 . 4.540 3.563 3.219 3.789 . 0 0 "[ . 1 . 2]" 1
681 1 59 VAL HB 1 60 ILE H 4.240 . 4.240 3.429 2.410 4.006 . 0 0 "[ . 1 . 2]" 1
682 1 60 ILE H 1 60 ILE HB 3.900 . 3.900 2.484 2.446 2.526 . 0 0 "[ . 1 . 2]" 1
683 1 60 ILE H 1 61 ARG H 4.050 . 4.050 2.675 2.546 2.855 . 0 0 "[ . 1 . 2]" 1
684 1 74 LEU HB3 1 75 ASP H 4.010 . 4.010 2.287 1.924 2.810 . 0 0 "[ . 1 . 2]" 1
685 1 60 ILE MG 1 61 ARG H 4.050 . 4.050 3.283 3.136 3.535 . 0 0 "[ . 1 . 2]" 1
686 1 61 ARG H 1 62 GLU H 3.740 . 3.740 2.567 2.420 2.691 . 0 0 "[ . 1 . 2]" 1
687 1 62 GLU H 1 63 HIS H 3.660 . 3.660 2.738 2.412 2.881 . 0 0 "[ . 1 . 2]" 1
688 1 59 VAL HA 1 62 GLU H 4.520 . 4.520 4.300 3.377 4.751 0.231 13 0 "[ . 1 . 2]" 1
689 1 62 GLU H 1 62 GLU HG3 4.930 . 4.930 3.562 2.270 4.578 . 0 0 "[ . 1 . 2]" 1
690 1 61 ARG HB2 1 62 GLU H 4.090 . 4.090 3.469 2.245 3.980 . 0 0 "[ . 1 . 2]" 1
691 1 61 ARG HB3 1 62 GLU H 4.090 . 4.090 2.578 2.225 3.362 . 0 0 "[ . 1 . 2]" 1
692 1 61 ARG HG2 1 62 GLU H 4.810 . 4.810 4.167 3.078 4.909 0.099 9 0 "[ . 1 . 2]" 1
693 1 61 ARG HG3 1 62 GLU H 4.810 . 4.810 4.319 3.201 5.053 0.243 17 0 "[ . 1 . 2]" 1
694 1 60 ILE HB 1 62 GLU H 5.500 . 5.500 5.043 4.873 5.293 . 0 0 "[ . 1 . 2]" 1
695 1 63 HIS H 1 64 ALA H 4.300 . 4.300 2.914 2.684 3.231 . 0 0 "[ . 1 . 2]" 1
696 1 63 HIS H 1 63 HIS HB3 3.750 . 3.750 2.736 2.551 3.165 . 0 0 "[ . 1 . 2]" 1
697 1 63 HIS H 1 63 HIS HB2 3.750 . 3.750 2.386 2.130 3.653 . 0 0 "[ . 1 . 2]" 1
698 1 65 THR H 1 66 LEU H 3.330 . 3.330 2.727 2.612 2.841 . 0 0 "[ . 1 . 2]" 1
699 1 64 ALA H 1 65 THR H 3.460 . 3.460 2.721 2.618 2.821 . 0 0 "[ . 1 . 2]" 1
700 1 65 THR H 1 65 THR HB 3.310 . 3.310 2.816 2.543 3.517 0.207 9 0 "[ . 1 . 2]" 1
701 1 65 THR H 1 65 THR MG 3.830 . 3.830 3.468 2.277 3.774 . 0 0 "[ . 1 . 2]" 1
702 1 64 ALA H 1 66 LEU H 4.720 . 4.720 4.136 3.717 4.448 . 0 0 "[ . 1 . 2]" 1
703 1 65 THR MG 1 66 LEU H 3.830 . 3.830 3.710 3.452 4.028 0.198 13 0 "[ . 1 . 2]" 1
704 1 67 ALA H 1 68 GLU H 3.370 . 3.370 2.737 2.654 2.823 . 0 0 "[ . 1 . 2]" 1
705 1 64 ALA H 1 67 ALA H 5.190 . 5.190 4.745 4.617 4.870 . 0 0 "[ . 1 . 2]" 1
706 1 67 ALA H 1 67 ALA MB 3.040 . 3.040 2.249 2.234 2.287 . 0 0 "[ . 1 . 2]" 1
707 1 67 ALA H 1 91 ILE MD 5.500 . 5.500 5.019 3.808 5.643 0.143 16 0 "[ . 1 . 2]" 1
708 1 67 ALA MB 1 68 GLU H 3.230 . 3.230 2.608 2.417 2.818 . 0 0 "[ . 1 . 2]" 1
709 1 74 LEU H 1 75 ASP H 4.560 . 4.560 4.476 4.384 4.590 0.030 2 0 "[ . 1 . 2]" 1
710 1 74 LEU H 1 74 LEU HB3 3.660 . 3.660 3.712 3.587 3.833 0.173 13 0 "[ . 1 . 2]" 1
711 1 67 ALA H 1 69 ALA H 4.540 . 4.540 4.111 3.865 4.448 . 0 0 "[ . 1 . 2]" 1
712 1 69 ALA H 1 70 ILE H 3.350 . 3.350 2.706 2.607 2.799 . 0 0 "[ . 1 . 2]" 1
713 1 69 ALA H 1 71 SER H 4.420 . 4.420 4.424 4.181 4.558 0.138 20 0 "[ . 1 . 2]" 1
714 1 69 ALA H 1 69 ALA MB 2.850 . 2.850 2.237 2.217 2.258 . 0 0 "[ . 1 . 2]" 1
715 1 66 LEU MD1 1 69 ALA H 5.400 . 5.400 4.618 4.220 5.505 0.105 19 0 "[ . 1 . 2]" 1
716 1 66 LEU MD2 1 69 ALA H 5.500 . 5.500 4.496 3.965 5.112 . 0 0 "[ . 1 . 2]" 1
717 1 69 ALA H 1 70 ILE MG 5.500 . 5.500 4.160 3.869 5.412 . 0 0 "[ . 1 . 2]" 1
718 1 69 ALA H 1 70 ILE HB 5.010 . 5.010 4.868 4.446 5.044 0.034 4 0 "[ . 1 . 2]" 1
719 1 67 ALA HA 1 70 ILE H 4.230 . 4.230 4.199 3.897 4.441 0.211 19 0 "[ . 1 . 2]" 1
720 1 70 ILE H 1 70 ILE HB 3.580 . 3.580 2.516 2.083 2.655 . 0 0 "[ . 1 . 2]" 1
721 1 70 ILE H 1 70 ILE MG 3.550 . 3.550 2.171 1.929 3.319 . 0 0 "[ . 1 . 2]" 1
722 1 70 ILE H 1 71 SER H 3.700 . 3.700 2.554 2.400 2.726 . 0 0 "[ . 1 . 2]" 1
723 1 71 SER H 1 72 PRO HD2 4.040 . 4.040 2.145 1.963 2.333 . 0 0 "[ . 1 . 2]" 1
724 1 71 SER H 1 72 PRO HD3 4.040 . 4.040 2.982 2.752 3.238 . 0 0 "[ . 1 . 2]" 1
725 1 71 SER H 1 72 PRO HG2 4.440 . 4.440 4.418 4.180 4.608 0.168 8 0 "[ . 1 . 2]" 1
726 1 70 ILE HB 1 71 SER H 4.170 . 4.170 4.047 3.405 4.258 0.088 6 0 "[ . 1 . 2]" 1
727 1 69 ALA MB 1 71 SER H 4.600 . 4.600 4.552 4.393 4.689 0.089 2 0 "[ . 1 . 2]" 1
728 1 70 ILE MG 1 71 SER H 3.670 . 3.670 2.459 2.219 2.924 . 0 0 "[ . 1 . 2]" 1
729 1 73 SER H 1 74 LEU H 3.170 . 3.170 2.484 2.269 2.933 . 0 0 "[ . 1 . 2]" 1
730 1 73 SER H 1 73 SER HB2 4.110 . 4.110 2.676 2.448 3.645 . 0 0 "[ . 1 . 2]" 1
731 1 70 ILE HA 1 73 SER H 3.880 . 3.880 3.775 3.332 4.072 0.192 10 0 "[ . 1 . 2]" 1
732 1 73 SER H 1 73 SER HB3 4.110 . 4.110 3.141 2.505 3.633 . 0 0 "[ . 1 . 2]" 1
733 1 73 SER H 1 74 LEU HB2 5.450 . 5.450 4.783 4.388 5.428 . 0 0 "[ . 1 . 2]" 1
734 1 72 PRO HG2 1 73 SER H 3.820 . 3.820 3.104 2.632 3.698 . 0 0 "[ . 1 . 2]" 1
735 1 36 ALA MB 1 73 SER H 5.220 . 5.220 4.527 4.020 5.413 0.193 18 0 "[ . 1 . 2]" 1
736 1 70 ILE MG 1 73 SER H 5.500 . 5.500 4.923 4.394 5.218 . 0 0 "[ . 1 . 2]" 1
737 1 74 LEU HB2 1 75 ASP H 4.570 . 4.570 3.463 3.155 3.948 . 0 0 "[ . 1 . 2]" 1
738 1 77 PRO HA 1 78 ILE H 3.270 . 3.270 2.364 2.180 2.616 . 0 0 "[ . 1 . 2]" 1
739 1 77 PRO HB2 1 78 ILE H 4.350 . 4.350 2.938 2.100 4.160 . 0 0 "[ . 1 . 2]" 1
740 1 78 ILE H 1 78 ILE HB 3.380 . 3.380 2.501 2.311 2.689 . 0 0 "[ . 1 . 2]" 1
741 1 78 ILE H 1 78 ILE MG 3.090 . 3.090 2.055 1.809 2.257 . 0 0 "[ . 1 . 2]" 1
742 1 78 ILE HA 1 80 GLN H 4.520 . 4.520 3.567 3.327 3.906 . 0 0 "[ . 1 . 2]" 1
743 1 84 VAL H 1 85 GLU H 3.920 . 3.920 2.697 2.588 2.836 . 0 0 "[ . 1 . 2]" 1
744 1 84 VAL H 1 86 ARG H 4.640 . 4.640 4.249 3.813 4.605 . 0 0 "[ . 1 . 2]" 1
745 1 84 VAL H 1 84 VAL HB 3.260 . 3.260 2.604 2.543 2.679 . 0 0 "[ . 1 . 2]" 1
746 1 84 VAL H 1 84 VAL MG2 3.810 . 3.810 2.914 1.931 3.803 . 0 0 "[ . 1 . 2]" 1
747 1 84 VAL MG1 1 85 GLU H 4.670 . 4.670 2.719 1.857 3.559 . 0 0 "[ . 1 . 2]" 1
748 1 85 GLU H 1 86 ARG H 4.010 . 4.010 2.722 2.499 2.946 . 0 0 "[ . 1 . 2]" 1
749 1 86 ARG H 1 86 ARG HB2 3.920 . 3.920 2.940 2.149 3.636 . 0 0 "[ . 1 . 2]" 1
750 1 86 ARG H 1 86 ARG HB3 3.920 . 3.920 2.720 2.343 3.594 . 0 0 "[ . 1 . 2]" 1
751 1 87 ALA H 1 87 ALA MB 3.110 . 3.110 2.240 2.227 2.255 . 0 0 "[ . 1 . 2]" 1
752 1 87 ALA H 1 88 VAL HB 5.370 . 5.370 4.915 4.778 5.011 . 0 0 "[ . 1 . 2]" 1
753 1 84 VAL HA 1 87 ALA H 4.060 . 4.060 3.660 3.323 3.907 . 0 0 "[ . 1 . 2]" 1
754 1 92 ALA H 1 94 TYR H 4.740 . 4.740 4.355 4.251 4.481 . 0 0 "[ . 1 . 2]" 1
755 1 91 ILE H 1 92 ALA H 3.790 . 3.790 2.721 2.577 2.840 . 0 0 "[ . 1 . 2]" 1
756 1 91 ILE HB 1 92 ALA H 3.640 . 3.640 2.690 2.425 2.861 . 0 0 "[ . 1 . 2]" 1
757 1 88 VAL HA 1 92 ALA H 4.600 . 4.600 3.574 3.396 3.838 . 0 0 "[ . 1 . 2]" 1
758 1 88 VAL H 1 88 VAL HB 3.450 . 3.450 2.495 2.452 2.539 . 0 0 "[ . 1 . 2]" 1
759 1 87 ALA MB 1 88 VAL H 3.510 . 3.510 2.417 2.284 2.551 . 0 0 "[ . 1 . 2]" 1
760 1 88 VAL HB 1 89 LEU H 3.520 . 3.520 2.530 2.331 2.947 . 0 0 "[ . 1 . 2]" 1
761 1 89 LEU H 1 90 LEU H 3.860 . 3.860 2.803 2.676 2.870 . 0 0 "[ . 1 . 2]" 1
762 1 90 LEU H 1 90 LEU HG 4.460 . 4.460 3.737 2.216 4.534 0.074 8 0 "[ . 1 . 2]" 1
763 1 89 LEU MD1 1 90 LEU H 4.990 . 4.990 4.424 4.249 4.556 . 0 0 "[ . 1 . 2]" 1
764 1 89 LEU MD2 1 90 LEU H 4.990 . 4.990 3.835 3.477 4.311 . 0 0 "[ . 1 . 2]" 1
765 1 90 LEU H 1 91 ILE MD 4.660 . 4.660 3.982 3.713 4.899 0.239 17 0 "[ . 1 . 2]" 1
766 1 90 LEU H 1 91 ILE H 4.130 . 4.130 2.757 2.565 2.896 . 0 0 "[ . 1 . 2]" 1
767 1 91 ILE H 1 91 ILE MD 3.680 . 3.680 2.192 2.016 3.014 . 0 0 "[ . 1 . 2]" 1
768 1 93 THR H 1 93 THR HB 3.750 . 3.750 2.539 2.437 2.601 . 0 0 "[ . 1 . 2]" 1
769 1 92 ALA MB 1 93 THR H 3.830 . 3.830 2.504 2.258 2.692 . 0 0 "[ . 1 . 2]" 1
770 1 93 THR H 1 94 TYR H 4.010 . 4.010 2.755 2.648 2.820 . 0 0 "[ . 1 . 2]" 1
771 1 93 THR HB 1 94 TYR H 4.190 . 4.190 2.474 2.398 2.629 . 0 0 "[ . 1 . 2]" 1
772 1 94 TYR H 1 94 TYR HB2 4.070 . 4.070 2.213 2.123 2.281 . 0 0 "[ . 1 . 2]" 1
773 1 94 TYR H 1 94 TYR HB3 4.090 . 4.090 2.940 2.763 3.213 . 0 0 "[ . 1 . 2]" 1
774 1 94 TYR HD2 1 95 GLU H 4.840 . 4.840 4.556 3.951 5.006 0.166 13 0 "[ . 1 . 2]" 1
775 1 92 ALA HA 1 95 GLU H 4.670 . 4.670 3.749 3.383 4.291 . 0 0 "[ . 1 . 2]" 1
776 1 94 TYR HB2 1 95 GLU H 4.570 . 4.570 3.591 3.448 3.738 . 0 0 "[ . 1 . 2]" 1
777 1 94 TYR HB3 1 95 GLU H 4.720 . 4.720 2.672 2.319 3.083 . 0 0 "[ . 1 . 2]" 1
778 1 95 GLU H 1 95 GLU HG2 4.150 . 4.150 2.710 2.178 4.407 0.257 6 0 "[ . 1 . 2]" 1
779 1 91 ILE MG 1 95 GLU H 4.420 . 4.420 3.906 3.719 4.143 . 0 0 "[ . 1 . 2]" 1
780 1 95 GLU H 1 95 GLU HG3 4.150 . 4.150 3.561 2.422 4.344 0.194 6 0 "[ . 1 . 2]" 1
781 1 95 GLU H 1 96 LEU H 4.020 . 4.020 2.694 2.596 2.818 . 0 0 "[ . 1 . 2]" 1
782 1 96 LEU H 1 99 GLN HB2 4.590 . 4.590 4.148 3.929 4.507 . 0 0 "[ . 1 . 2]" 1
783 1 92 ALA MB 1 96 LEU H 4.820 . 4.820 4.418 4.211 4.618 . 0 0 "[ . 1 . 2]" 1
784 1 96 LEU H 1 107 ILE MG 4.430 . 4.430 4.281 3.744 4.651 0.221 14 0 "[ . 1 . 2]" 1
785 1 96 LEU H 1 96 LEU MD1 5.170 . 5.170 3.908 3.635 4.343 . 0 0 "[ . 1 . 2]" 1
786 1 96 LEU H 1 96 LEU MD2 5.170 . 5.170 3.766 2.418 4.319 . 0 0 "[ . 1 . 2]" 1
787 1 96 LEU H 1 97 THR H 4.100 . 4.100 2.780 2.724 2.868 . 0 0 "[ . 1 . 2]" 1
788 1 97 THR H 1 97 THR HB 3.770 . 3.770 2.696 2.561 2.876 . 0 0 "[ . 1 . 2]" 1
789 1 97 THR H 1 97 THR MG 3.970 . 3.970 3.765 3.735 3.807 . 0 0 "[ . 1 . 2]" 1
790 1 98 HIS H 1 100 ILE MG 4.590 . 4.590 4.271 3.971 4.822 0.232 15 0 "[ . 1 . 2]" 1
791 1 97 THR HB 1 98 HIS H 3.900 . 3.900 2.846 2.567 3.018 . 0 0 "[ . 1 . 2]" 1
792 1 98 HIS H 1 98 HIS HD2 4.550 . 4.550 2.887 2.329 4.398 . 0 0 "[ . 1 . 2]" 1
793 1 97 THR H 1 98 HIS H 4.000 . 4.000 2.846 2.747 2.999 . 0 0 "[ . 1 . 2]" 1
794 1 96 LEU H 1 98 HIS H 5.020 . 5.020 4.309 4.149 4.551 . 0 0 "[ . 1 . 2]" 1
795 1 98 HIS H 1 99 GLN H 3.590 . 3.590 2.197 1.987 2.407 . 0 0 "[ . 1 . 2]" 1
796 1 97 THR HB 1 99 GLN H 5.350 . 5.350 4.823 4.524 4.971 . 0 0 "[ . 1 . 2]" 1
797 1 99 GLN H 1 100 ILE HA 5.500 . 5.500 4.169 3.914 4.426 . 0 0 "[ . 1 . 2]" 1
798 1 99 GLN H 1 99 GLN HB2 3.630 . 3.630 2.724 2.570 2.891 . 0 0 "[ . 1 . 2]" 1
799 1 99 GLN H 1 100 ILE MG 4.770 . 4.770 3.217 3.028 3.980 . 0 0 "[ . 1 . 2]" 1
800 1 99 GLN H 1 99 GLN HG2 4.380 . 4.380 3.544 2.778 4.138 . 0 0 "[ . 1 . 2]" 1
801 1 99 GLN H 1 100 ILE HB 5.500 . 5.500 5.621 5.486 5.776 0.276 18 0 "[ . 1 . 2]" 1
802 1 99 GLN H 1 100 ILE H 4.400 . 4.400 2.387 2.198 3.003 . 0 0 "[ . 1 . 2]" 1
803 1 99 GLN HB2 1 100 ILE H 4.450 . 4.450 4.079 3.850 4.410 . 0 0 "[ . 1 . 2]" 1
804 1 100 ILE H 1 100 ILE HB 3.680 . 3.680 3.640 3.567 3.683 0.003 6 0 "[ . 1 . 2]" 1
805 1 100 ILE H 1 100 ILE HG12 3.940 . 3.940 3.447 3.373 3.591 . 0 0 "[ . 1 . 2]" 1
806 1 100 ILE H 1 100 ILE HG13 3.940 . 3.940 3.746 1.801 3.872 . 0 0 "[ . 1 . 2]" 1
807 1 100 ILE H 1 100 ILE MG 3.240 . 3.240 2.075 1.883 2.858 . 0 0 "[ . 1 . 2]" 1
808 1 100 ILE H 1 101 GLU H 3.640 . 3.640 2.774 2.596 2.890 . 0 0 "[ . 1 . 2]" 1
809 1 101 GLU H 1 101 GLU HB2 3.870 . 3.870 3.286 2.486 3.739 . 0 0 "[ . 1 . 2]" 1
810 1 101 GLU H 1 101 GLU HB3 3.870 . 3.870 3.234 2.807 3.718 . 0 0 "[ . 1 . 2]" 1
811 1 100 ILE HG12 1 101 GLU H 4.490 . 4.490 2.650 2.145 4.461 . 0 0 "[ . 1 . 2]" 1
812 1 100 ILE HG13 1 101 GLU H 4.490 . 4.490 4.046 3.689 4.702 0.212 6 0 "[ . 1 . 2]" 1
813 1 100 ILE MD 1 101 GLU H 3.870 . 3.870 2.145 1.794 2.653 0.006 15 0 "[ . 1 . 2]" 1
814 1 101 GLU H 1 102 THR H 3.320 . 3.320 2.349 2.118 2.503 . 0 0 "[ . 1 . 2]" 1
815 1 100 ILE H 1 102 THR H 4.690 . 4.690 4.115 3.665 4.359 . 0 0 "[ . 1 . 2]" 1
816 1 102 THR H 1 102 THR HB 3.090 . 3.090 2.514 2.338 2.693 . 0 0 "[ . 1 . 2]" 1
817 1 100 ILE HA 1 102 THR H 4.740 . 4.740 3.975 3.306 4.399 . 0 0 "[ . 1 . 2]" 1
818 1 99 GLN HB3 1 102 THR H 4.080 . 4.080 3.564 3.278 3.899 . 0 0 "[ . 1 . 2]" 1
819 1 102 THR H 1 102 THR MG 3.700 . 3.700 3.532 2.416 3.892 0.192 6 0 "[ . 1 . 2]" 1
820 1 100 ILE MG 1 102 THR H 5.500 . 5.500 5.208 5.035 5.376 . 0 0 "[ . 1 . 2]" 1
821 1 102 THR H 1 106 VAL MG2 5.500 . 5.500 5.548 4.948 5.789 0.289 18 0 "[ . 1 . 2]" 1
822 1 102 THR H 1 107 ILE MD 5.040 . 5.040 4.231 3.518 4.727 . 0 0 "[ . 1 . 2]" 1
823 1 104 TYR H 1 104 TYR HE1 4.780 . 4.780 4.361 4.058 4.849 0.069 4 0 "[ . 1 . 2]" 1
824 1 103 PRO HA 1 104 TYR H 3.560 . 3.560 2.139 2.096 2.261 . 0 0 "[ . 1 . 2]" 1
825 1 103 PRO HB3 1 104 TYR H 4.600 . 4.600 3.887 3.654 4.123 . 0 0 "[ . 1 . 2]" 1
826 1 102 THR MG 1 104 TYR H 5.280 . 5.280 4.993 4.464 5.437 0.157 14 0 "[ . 1 . 2]" 1
827 1 104 TYR H 1 105 ARG HB2 5.500 . 5.500 4.906 4.540 5.092 . 0 0 "[ . 1 . 2]" 1
828 1 104 TYR H 1 106 VAL MG1 5.500 . 5.500 5.754 5.602 5.788 0.288 8 0 "[ . 1 . 2]" 1
829 1 104 TYR H 1 108 ILE MD 5.500 . 5.500 5.621 5.303 5.787 0.287 2 0 "[ . 1 . 2]" 1
830 1 104 TYR H 1 106 VAL MG2 5.030 . 5.030 4.817 4.745 4.902 . 0 0 "[ . 1 . 2]" 1
831 1 104 TYR H 1 105 ARG H 4.120 . 4.120 2.709 2.474 2.822 . 0 0 "[ . 1 . 2]" 1
832 1 105 ARG H 1 106 VAL H 3.590 . 3.590 2.862 2.773 2.927 . 0 0 "[ . 1 . 2]" 1
833 1 104 TYR HD2 1 105 ARG H 3.920 . 3.920 3.721 3.464 3.963 0.043 1 0 "[ . 1 . 2]" 1
834 1 104 TYR HE2 1 105 ARG H 4.620 . 4.620 4.705 4.346 4.853 0.233 20 0 "[ . 1 . 2]" 1
835 1 105 ARG H 1 107 ILE H 4.910 . 4.910 4.086 3.935 4.281 . 0 0 "[ . 1 . 2]" 1
836 1 103 PRO HA 1 105 ARG H 5.000 . 5.000 3.621 3.363 3.863 . 0 0 "[ . 1 . 2]" 1
837 1 105 ARG H 1 105 ARG HD2 4.770 . 4.770 4.163 1.879 4.790 0.020 11 0 "[ . 1 . 2]" 1
838 1 105 ARG H 1 105 ARG HD3 4.770 . 4.770 3.524 2.686 3.893 . 0 0 "[ . 1 . 2]" 1
839 1 103 PRO HB3 1 105 ARG H 4.740 . 4.740 3.864 3.668 4.045 . 0 0 "[ . 1 . 2]" 1
840 1 103 PRO HG2 1 105 ARG H 4.450 . 4.450 4.579 4.060 4.680 0.230 15 0 "[ . 1 . 2]" 1
841 1 103 PRO HB2 1 105 ARG H 4.310 . 4.310 2.651 2.433 2.812 . 0 0 "[ . 1 . 2]" 1
842 1 105 ARG H 1 105 ARG HB3 3.760 . 3.760 3.589 3.487 3.612 . 0 0 "[ . 1 . 2]" 1
843 1 105 ARG H 1 105 ARG HB2 3.290 . 3.290 2.458 2.187 2.623 . 0 0 "[ . 1 . 2]" 1
844 1 105 ARG H 1 106 VAL MG1 5.290 . 5.290 4.306 4.224 4.418 . 0 0 "[ . 1 . 2]" 1
845 1 105 ARG H 1 108 ILE MD 5.500 . 5.500 4.700 4.392 5.037 . 0 0 "[ . 1 . 2]" 1
846 1 105 ARG H 1 106 VAL MG2 4.520 . 4.520 4.171 4.066 4.238 . 0 0 "[ . 1 . 2]" 1
847 1 106 VAL H 1 108 ILE H 5.020 . 5.020 4.271 4.071 4.427 . 0 0 "[ . 1 . 2]" 1
848 1 106 VAL H 1 107 ILE H 3.660 . 3.660 2.543 2.454 2.597 . 0 0 "[ . 1 . 2]" 1
849 1 103 PRO HG2 1 106 VAL H 3.630 . 3.630 3.350 2.900 3.605 . 0 0 "[ . 1 . 2]" 1
850 1 103 PRO HB2 1 106 VAL H 4.140 . 4.140 2.893 2.716 3.297 . 0 0 "[ . 1 . 2]" 1
851 1 105 ARG HB2 1 106 VAL H 3.920 . 3.920 2.478 2.279 2.802 . 0 0 "[ . 1 . 2]" 1
852 1 106 VAL H 1 106 VAL MG2 3.760 . 3.760 2.197 2.121 2.288 . 0 0 "[ . 1 . 2]" 1
853 1 107 ILE H 1 107 ILE HB 4.010 . 4.010 2.570 2.509 2.675 . 0 0 "[ . 1 . 2]" 1
854 1 106 VAL MG1 1 107 ILE H 4.300 . 4.300 3.862 3.794 3.921 . 0 0 "[ . 1 . 2]" 1
855 1 108 ILE H 1 109 ASN H 3.750 . 3.750 2.654 2.512 2.739 . 0 0 "[ . 1 . 2]" 1
856 1 105 ARG HA 1 109 ASN H 4.210 . 4.210 4.127 3.977 4.283 0.073 6 0 "[ . 1 . 2]" 1
857 1 109 ASN H 1 109 ASN HB2 3.610 . 3.610 2.527 2.334 2.648 . 0 0 "[ . 1 . 2]" 1
858 1 109 ASN H 1 109 ASN HB3 3.610 . 3.610 2.605 2.393 3.612 0.002 6 0 "[ . 1 . 2]" 1
859 1 108 ILE HB 1 109 ASN H 3.680 . 3.680 2.643 2.439 2.782 . 0 0 "[ . 1 . 2]" 1
860 1 108 ILE MG 1 109 ASN H 3.590 . 3.590 3.405 3.217 3.566 . 0 0 "[ . 1 . 2]" 1
861 1 109 ASN H 1 110 GLU H 3.780 . 3.780 2.814 2.662 2.915 . 0 0 "[ . 1 . 2]" 1
862 1 110 GLU H 1 111 ALA H 3.780 . 3.780 2.739 2.573 2.895 . 0 0 "[ . 1 . 2]" 1
863 1 110 GLU H 1 112 VAL H 4.490 . 4.490 4.135 3.981 4.309 . 0 0 "[ . 1 . 2]" 1
864 1 106 VAL HA 1 110 GLU H 4.720 . 4.720 3.933 3.667 4.155 . 0 0 "[ . 1 . 2]" 1
865 1 107 ILE HA 1 110 GLU H 4.860 . 4.860 3.587 3.297 3.899 . 0 0 "[ . 1 . 2]" 1
866 1 109 ASN HB2 1 110 GLU H 4.110 . 4.110 3.738 2.714 3.877 . 0 0 "[ . 1 . 2]" 1
867 1 109 ASN HB3 1 110 GLU H 4.110 . 4.110 2.493 2.322 3.627 . 0 0 "[ . 1 . 2]" 1
868 1 110 GLU H 1 111 ALA MB 4.510 . 4.510 4.380 4.245 4.512 0.002 19 0 "[ . 1 . 2]" 1
869 1 107 ILE MG 1 110 GLU H 4.970 . 4.970 4.816 4.583 5.088 0.118 12 0 "[ . 1 . 2]" 1
870 1 111 ALA H 1 112 VAL H 3.910 . 3.910 2.727 2.622 2.861 . 0 0 "[ . 1 . 2]" 1
871 1 108 ILE HA 1 111 ALA H 4.450 . 4.450 3.421 3.265 3.728 . 0 0 "[ . 1 . 2]" 1
872 1 111 ALA H 1 111 ALA MB 3.370 . 3.370 2.233 2.223 2.250 . 0 0 "[ . 1 . 2]" 1
873 1 107 ILE MG 1 111 ALA H 4.450 . 4.450 4.068 3.858 4.292 . 0 0 "[ . 1 . 2]" 1
874 1 111 ALA H 1 131 LEU MD1 4.570 . 4.570 4.318 3.937 4.625 0.055 9 0 "[ . 1 . 2]" 1
875 1 112 VAL H 1 114 LEU H 4.740 . 4.740 4.293 4.000 4.673 . 0 0 "[ . 1 . 2]" 1
876 1 109 ASN HA 1 112 VAL H 4.310 . 4.310 3.533 3.201 3.716 . 0 0 "[ . 1 . 2]" 1
877 1 112 VAL H 1 112 VAL HB 3.430 . 3.430 2.507 2.337 3.617 0.187 14 0 "[ . 1 . 2]" 1
878 1 111 ALA MB 1 112 VAL H 3.770 . 3.770 2.561 2.399 2.691 . 0 0 "[ . 1 . 2]" 1
879 1 108 ILE MG 1 112 VAL H 4.060 . 4.060 3.778 3.659 3.944 . 0 0 "[ . 1 . 2]" 1
880 1 112 VAL H 1 131 LEU MD1 4.520 . 4.520 4.386 3.827 4.752 0.232 20 0 "[ . 1 . 2]" 1
881 1 112 VAL H 1 113 GLU H 3.830 . 3.830 2.615 2.500 2.723 . 0 0 "[ . 1 . 2]" 1
882 1 113 GLU H 1 114 LEU H 4.030 . 4.030 2.814 2.575 3.014 . 0 0 "[ . 1 . 2]" 1
883 1 113 GLU H 1 113 GLU HB2 4.040 . 4.040 2.454 2.338 2.688 . 0 0 "[ . 1 . 2]" 1
884 1 113 GLU H 1 113 GLU HB3 4.040 . 4.040 3.141 2.522 3.628 . 0 0 "[ . 1 . 2]" 1
885 1 112 VAL MG1 1 114 LEU H 5.500 . 5.500 4.812 4.340 5.693 0.193 14 0 "[ . 1 . 2]" 1
886 1 114 LEU H 1 114 LEU HG 4.240 . 4.240 2.656 2.180 3.354 . 0 0 "[ . 1 . 2]" 1
887 1 114 LEU H 1 115 ALA H 3.720 . 3.720 2.528 2.455 2.632 . 0 0 "[ . 1 . 2]" 1
888 1 115 ALA H 1 115 ALA MB 3.110 . 3.110 2.236 2.218 2.253 . 0 0 "[ . 1 . 2]" 1
889 1 114 LEU HG 1 115 ALA H 4.830 . 4.830 4.436 4.066 4.958 0.128 13 0 "[ . 1 . 2]" 1
890 1 117 THR H 1 117 THR HB 3.660 . 3.660 2.619 2.461 2.715 . 0 0 "[ . 1 . 2]" 1
891 1 115 ALA MB 1 117 THR H 5.210 . 5.210 4.701 4.321 4.877 . 0 0 "[ . 1 . 2]" 1
892 1 118 PHE H 1 118 PHE HD2 3.860 . 3.860 3.029 2.592 3.699 . 0 0 "[ . 1 . 2]" 1
893 1 117 THR HB 1 118 PHE H 4.280 . 4.280 3.769 2.342 4.147 . 0 0 "[ . 1 . 2]" 1
894 1 118 PHE H 1 118 PHE HB2 3.840 . 3.840 2.427 2.327 2.544 . 0 0 "[ . 1 . 2]" 1
895 1 118 PHE H 1 118 PHE HB3 3.840 . 3.840 3.627 3.582 3.701 . 0 0 "[ . 1 . 2]" 1
896 1 115 ALA MB 1 118 PHE H 4.780 . 4.780 4.591 4.319 4.800 0.020 4 0 "[ . 1 . 2]" 1
897 1 119 GLY H 1 120 GLY H 4.280 . 4.280 3.193 1.961 4.433 0.153 13 0 "[ . 1 . 2]" 1
898 1 118 PHE HD1 1 119 GLY H 5.500 . 5.500 5.527 5.219 5.762 0.262 15 0 "[ . 1 . 2]" 1
899 1 118 PHE HD2 1 119 GLY H 5.500 . 5.500 4.647 4.279 5.290 . 0 0 "[ . 1 . 2]" 1
900 1 118 PHE HB2 1 119 GLY H 4.340 . 4.340 2.854 2.513 3.495 . 0 0 "[ . 1 . 2]" 1
901 1 118 PHE HB3 1 119 GLY H 4.340 . 4.340 3.729 3.364 4.264 . 0 0 "[ . 1 . 2]" 1
902 1 115 ALA MB 1 119 GLY H 4.570 . 4.570 4.191 3.656 4.658 0.088 7 0 "[ . 1 . 2]" 1
903 1 84 VAL MG1 1 119 GLY H 4.610 . 4.610 4.636 4.275 4.851 0.241 9 0 "[ . 1 . 2]" 1
904 1 84 VAL MG2 1 119 GLY H 4.610 . 4.610 3.492 2.811 4.349 . 0 0 "[ . 1 . 2]" 1
905 1 122 ASP H 1 123 GLY H 3.760 . 3.760 2.421 2.156 2.682 . 0 0 "[ . 1 . 2]" 1
906 1 121 SER HA 1 122 ASP H 3.530 . 3.530 3.525 3.427 3.583 0.053 17 0 "[ . 1 . 2]" 1
907 1 121 SER HB2 1 122 ASP H 4.720 . 4.720 3.272 2.562 4.088 . 0 0 "[ . 1 . 2]" 1
908 1 121 SER HB3 1 122 ASP H 4.720 . 4.720 3.501 2.274 4.053 . 0 0 "[ . 1 . 2]" 1
909 1 122 ASP H 1 122 ASP HB3 3.930 . 3.930 3.073 2.560 3.666 . 0 0 "[ . 1 . 2]" 1
910 1 122 ASP H 1 122 ASP HB2 3.930 . 3.930 3.086 2.190 3.651 . 0 0 "[ . 1 . 2]" 1
911 1 120 GLY H 1 123 GLY H 4.400 . 4.400 3.332 2.387 4.087 . 0 0 "[ . 1 . 2]" 1
912 1 123 GLY H 1 124 TYR HD1 4.670 . 4.670 4.036 3.539 4.434 . 0 0 "[ . 1 . 2]" 1
913 1 121 SER HA 1 123 GLY H 4.430 . 4.430 4.352 3.911 4.665 0.235 10 0 "[ . 1 . 2]" 1
914 1 123 GLY H 1 124 TYR H 4.260 . 4.260 2.868 2.733 3.031 . 0 0 "[ . 1 . 2]" 1
915 1 124 TYR H 1 124 TYR HD1 3.560 . 3.560 2.344 1.879 2.652 . 0 0 "[ . 1 . 2]" 1
916 1 124 TYR H 1 124 TYR HE1 4.720 . 4.720 4.709 4.301 4.970 0.250 17 0 "[ . 1 . 2]" 1
917 1 115 ALA MB 1 124 TYR H 4.430 . 4.430 3.679 3.189 4.113 . 0 0 "[ . 1 . 2]" 1
918 1 125 LYS HA 1 128 ASN H 4.400 . 4.400 3.677 3.198 4.048 . 0 0 "[ . 1 . 2]" 1
919 1 128 ASN H 1 128 ASN HB2 3.480 . 3.480 2.511 2.211 2.708 . 0 0 "[ . 1 . 2]" 1
920 1 128 ASN H 1 128 ASN HB3 3.480 . 3.480 2.659 2.397 3.617 0.137 16 0 "[ . 1 . 2]" 1
921 1 127 VAL HB 1 128 ASN H 4.150 . 4.150 3.946 3.865 4.009 . 0 0 "[ . 1 . 2]" 1
922 1 127 VAL MG1 1 128 ASN H 4.020 . 4.020 2.077 1.854 2.275 . 0 0 "[ . 1 . 2]" 1
923 1 127 VAL MG2 1 128 ASN H 4.020 . 4.020 3.628 3.335 3.864 . 0 0 "[ . 1 . 2]" 1
924 1 126 TYR H 1 127 VAL H 3.970 . 3.970 2.836 2.762 2.924 . 0 0 "[ . 1 . 2]" 1
925 1 124 TYR HA 1 127 VAL H 4.660 . 4.660 3.756 3.432 4.005 . 0 0 "[ . 1 . 2]" 1
926 1 127 VAL H 1 127 VAL HB 3.730 . 3.730 2.575 2.499 2.650 . 0 0 "[ . 1 . 2]" 1
927 1 115 ALA MB 1 127 VAL H 4.850 . 4.850 3.828 3.432 4.357 . 0 0 "[ . 1 . 2]" 1
928 1 127 VAL H 1 127 VAL MG2 3.830 . 3.830 3.783 3.770 3.800 . 0 0 "[ . 1 . 2]" 1
929 1 126 TYR H 1 126 TYR HD2 4.680 . 4.680 4.649 4.251 4.811 0.131 18 0 "[ . 1 . 2]" 1
930 1 128 ASN H 1 129 GLY H 3.680 . 3.680 2.670 2.593 2.767 . 0 0 "[ . 1 . 2]" 1
931 1 129 GLY H 1 130 VAL H 3.630 . 3.630 2.737 2.614 2.838 . 0 0 "[ . 1 . 2]" 1
932 1 128 ASN HB2 1 129 GLY H 4.280 . 4.280 3.727 2.615 3.999 . 0 0 "[ . 1 . 2]" 1
933 1 128 ASN HB3 1 129 GLY H 4.280 . 4.280 2.652 2.457 3.408 . 0 0 "[ . 1 . 2]" 1
934 1 127 VAL MG1 1 129 GLY H 5.500 . 5.500 4.277 4.137 4.404 . 0 0 "[ . 1 . 2]" 1
935 1 108 ILE MG 1 129 GLY H 5.500 . 5.500 5.355 4.893 5.775 0.275 8 0 "[ . 1 . 2]" 1
936 1 127 VAL MG2 1 129 GLY H 5.500 . 5.500 5.095 4.890 5.308 . 0 0 "[ . 1 . 2]" 1
937 1 129 GLY H 1 131 LEU HG 5.500 . 5.500 5.701 5.509 5.785 0.285 12 0 "[ . 1 . 2]" 1
938 1 149 ALA H 1 149 ALA MB 3.500 . 3.500 2.624 2.259 2.920 . 0 0 "[ . 1 . 2]" 1
939 1 130 VAL H 1 131 LEU H 3.650 . 3.650 2.639 2.478 2.880 . 0 0 "[ . 1 . 2]" 1
940 1 130 VAL H 1 132 ASP H 4.670 . 4.670 4.053 3.757 4.294 . 0 0 "[ . 1 . 2]" 1
941 1 130 VAL H 1 130 VAL HB 3.810 . 3.810 3.122 2.276 3.679 . 0 0 "[ . 1 . 2]" 1
942 1 127 VAL HA 1 130 VAL H 4.270 . 4.270 3.454 2.990 3.841 . 0 0 "[ . 1 . 2]" 1
943 1 128 ASN HA 1 131 LEU H 4.210 . 4.210 3.888 3.435 4.135 . 0 0 "[ . 1 . 2]" 1
944 1 130 VAL HB 1 131 LEU H 3.670 . 3.670 3.761 2.538 3.860 0.190 1 0 "[ . 1 . 2]" 1
945 1 131 LEU H 1 131 LEU HG 3.520 . 3.520 2.368 2.188 2.508 . 0 0 "[ . 1 . 2]" 1
946 1 131 LEU H 1 132 ASP H 3.670 . 3.670 2.526 2.431 2.601 . 0 0 "[ . 1 . 2]" 1
947 1 132 ASP H 1 133 LYS H 3.430 . 3.430 2.712 2.527 2.820 . 0 0 "[ . 1 . 2]" 1
948 1 128 ASN HA 1 132 ASP H 5.050 . 5.050 4.143 3.687 4.920 . 0 0 "[ . 1 . 2]" 1
949 1 132 ASP H 1 132 ASP HB2 3.360 . 3.360 2.543 2.288 2.741 . 0 0 "[ . 1 . 2]" 1
950 1 132 ASP H 1 132 ASP HB3 3.360 . 3.360 2.551 2.275 3.544 0.184 16 0 "[ . 1 . 2]" 1
951 1 108 ILE MD 1 132 ASP H 4.600 . 4.600 3.481 2.935 4.353 . 0 0 "[ . 1 . 2]" 1
952 1 131 LEU HG 1 132 ASP H 4.950 . 4.950 4.381 4.223 4.512 . 0 0 "[ . 1 . 2]" 1
953 1 131 LEU MD2 1 132 ASP H 5.340 . 5.340 4.651 4.561 4.715 . 0 0 "[ . 1 . 2]" 1
954 1 132 ASP HB2 1 133 LYS H 4.380 . 4.380 3.788 2.594 4.057 . 0 0 "[ . 1 . 2]" 1
955 1 133 LYS H 1 133 LYS HB2 3.910 . 3.910 2.652 2.392 3.622 . 0 0 "[ . 1 . 2]" 1
956 1 133 LYS H 1 133 LYS HB3 3.910 . 3.910 3.495 2.558 3.620 . 0 0 "[ . 1 . 2]" 1
957 1 133 LYS H 1 133 LYS HG2 4.170 . 4.170 2.839 1.966 3.873 . 0 0 "[ . 1 . 2]" 1
958 1 133 LYS H 1 133 LYS HG3 4.170 . 4.170 2.844 1.927 3.734 . 0 0 "[ . 1 . 2]" 1
959 1 135 ALA H 1 135 ALA MB 3.120 . 3.120 2.236 2.219 2.257 . 0 0 "[ . 1 . 2]" 1
960 1 108 ILE MD 1 135 ALA H 4.600 . 4.600 4.437 3.855 4.831 0.231 4 0 "[ . 1 . 2]" 1
961 1 135 ALA H 1 136 VAL HB 4.930 . 4.930 4.993 4.856 5.157 0.227 13 0 "[ . 1 . 2]" 1
962 1 132 ASP HA 1 135 ALA H 4.440 . 4.440 3.405 3.154 3.749 . 0 0 "[ . 1 . 2]" 1
963 1 135 ALA H 1 136 VAL H 3.660 . 3.660 2.672 2.533 2.761 . 0 0 "[ . 1 . 2]" 1
964 1 133 LYS H 1 135 ALA H 4.600 . 4.600 4.114 3.788 4.415 . 0 0 "[ . 1 . 2]" 1
965 1 136 VAL H 1 138 LEU H 4.730 . 4.730 4.151 3.794 4.463 . 0 0 "[ . 1 . 2]" 1
966 1 136 VAL H 1 137 LYS H 3.430 . 3.430 2.601 2.482 2.644 . 0 0 "[ . 1 . 2]" 1
967 1 133 LYS HA 1 136 VAL H 3.980 . 3.980 3.565 3.123 3.913 . 0 0 "[ . 1 . 2]" 1
968 1 136 VAL H 1 136 VAL HB 3.190 . 3.190 2.552 2.500 2.649 . 0 0 "[ . 1 . 2]" 1
969 1 136 VAL H 1 136 VAL MG2 3.920 . 3.920 2.451 1.974 3.813 . 0 0 "[ . 1 . 2]" 1
970 1 136 VAL H 1 143 THR MG 4.560 . 4.560 2.962 2.764 3.267 . 0 0 "[ . 1 . 2]" 1
971 1 136 VAL HB 1 137 LYS H 4.110 . 4.110 3.268 2.922 4.262 0.152 18 0 "[ . 1 . 2]" 1
972 1 137 LYS H 1 137 LYS HG2 4.320 . 4.320 2.441 2.023 3.537 . 0 0 "[ . 1 . 2]" 1
973 1 137 LYS H 1 137 LYS HG3 4.320 . 4.320 2.952 2.142 3.726 . 0 0 "[ . 1 . 2]" 1
974 1 136 VAL MG1 1 137 LYS H 4.150 . 4.150 3.503 2.357 4.003 . 0 0 "[ . 1 . 2]" 1
975 1 136 VAL MG2 1 137 LYS H 4.150 . 4.150 3.975 3.845 4.069 . 0 0 "[ . 1 . 2]" 1
976 1 137 LYS H 1 138 LEU H 3.720 . 3.720 2.285 2.065 2.508 . 0 0 "[ . 1 . 2]" 1
977 1 135 ALA HA 1 138 LEU H 4.620 . 4.620 3.407 3.087 3.858 . 0 0 "[ . 1 . 2]" 1
978 1 137 LYS HB2 1 138 LEU H 4.810 . 4.810 3.621 2.304 4.263 . 0 0 "[ . 1 . 2]" 1
979 1 137 LYS HB3 1 138 LEU H 4.810 . 4.810 4.049 3.604 4.436 . 0 0 "[ . 1 . 2]" 1
980 1 138 LEU H 1 138 LEU HG 3.660 . 3.660 2.262 1.854 2.756 . 0 0 "[ . 1 . 2]" 1
981 1 137 LYS H 1 139 ARG H 4.500 . 4.500 3.730 3.314 4.176 . 0 0 "[ . 1 . 2]" 1
982 1 138 LEU H 1 139 ARG H 3.360 . 3.360 2.398 2.163 2.684 . 0 0 "[ . 1 . 2]" 1
983 1 139 ARG H 1 140 PRO HA 4.490 . 4.490 4.210 3.893 4.475 . 0 0 "[ . 1 . 2]" 1
984 1 137 LYS HA 1 139 ARG H 4.710 . 4.710 4.398 3.947 4.939 0.229 4 0 "[ . 1 . 2]" 1
985 1 135 ALA HA 1 139 ARG H 4.220 . 4.220 3.545 2.874 3.878 . 0 0 "[ . 1 . 2]" 1
986 1 136 VAL HA 1 139 ARG H 4.700 . 4.700 4.001 3.543 4.486 . 0 0 "[ . 1 . 2]" 1
987 1 135 ALA MB 1 139 ARG H 4.780 . 4.780 4.328 3.848 4.638 . 0 0 "[ . 1 . 2]" 1
988 1 138 LEU HG 1 139 ARG H 5.250 . 5.250 3.656 2.378 4.597 . 0 0 "[ . 1 . 2]" 1
989 1 138 LEU MD1 1 139 ARG H 5.500 . 5.500 3.460 1.990 5.130 . 0 0 "[ . 1 . 2]" 1
990 1 138 LEU MD2 1 139 ARG H 5.500 . 5.500 4.546 3.952 4.975 . 0 0 "[ . 1 . 2]" 1
991 1 141 ALA H 1 142 GLU H 3.680 . 3.680 2.711 2.595 2.853 . 0 0 "[ . 1 . 2]" 1
992 1 140 PRO HD2 1 141 ALA H 4.450 . 4.450 2.856 2.693 3.166 . 0 0 "[ . 1 . 2]" 1
993 1 140 PRO HD3 1 141 ALA H 4.450 . 4.450 3.960 3.858 4.137 . 0 0 "[ . 1 . 2]" 1
994 1 142 GLU H 1 143 THR H 3.410 . 3.410 2.429 2.234 2.615 . 0 0 "[ . 1 . 2]" 1
995 1 142 GLU H 1 142 GLU HB3 3.560 . 3.560 3.613 3.547 3.659 0.099 15 0 "[ . 1 . 2]" 1
996 1 142 GLU H 1 142 GLU HB2 3.290 . 3.290 2.483 2.284 2.733 . 0 0 "[ . 1 . 2]" 1
997 1 141 ALA MB 1 142 GLU H 3.270 . 3.270 2.697 2.488 2.969 . 0 0 "[ . 1 . 2]" 1
998 1 141 ALA H 1 143 THR H 4.490 . 4.490 4.222 3.995 4.505 0.015 6 0 "[ . 1 . 2]" 1
999 1 143 THR H 1 143 THR HG1 3.310 . 3.310 2.624 2.015 3.483 0.173 8 0 "[ . 1 . 2]" 1
1000 1 142 GLU HG2 1 143 THR H 5.500 . 5.500 4.592 3.839 5.316 . 0 0 "[ . 1 . 2]" 1
1001 1 142 GLU HG3 1 143 THR H 5.500 . 5.500 4.788 4.360 5.260 . 0 0 "[ . 1 . 2]" 1
1002 1 142 GLU HB3 1 143 THR H 4.080 . 4.080 3.748 3.379 4.180 0.100 9 0 "[ . 1 . 2]" 1
1003 1 142 GLU HB2 1 143 THR H 3.840 . 3.840 2.755 2.288 3.260 . 0 0 "[ . 1 . 2]" 1
1004 1 141 ALA MB 1 143 THR H 5.010 . 5.010 4.596 4.337 4.857 . 0 0 "[ . 1 . 2]" 1
1005 1 143 THR H 1 143 THR MG 3.390 . 3.390 2.452 2.137 2.826 . 0 0 "[ . 1 . 2]" 1
1006 1 143 THR H 1 144 GLN H 3.050 . 3.050 2.543 2.260 2.786 . 0 0 "[ . 1 . 2]" 1
1007 1 142 GLU H 1 144 GLN H 3.990 . 3.990 4.053 3.759 4.199 0.209 7 0 "[ . 1 . 2]" 1
1008 1 143 THR HG1 1 144 GLN H 3.210 . 3.210 2.812 1.970 3.323 0.113 14 0 "[ . 1 . 2]" 1
1009 1 144 GLN H 1 144 GLN HB2 2.790 . 2.790 2.468 2.342 2.623 . 0 0 "[ . 1 . 2]" 1
1010 1 143 THR MG 1 144 GLN H 4.160 . 4.160 3.988 3.812 4.354 0.194 17 0 "[ . 1 . 2]" 1
1011 1 144 GLN H 1 145 ALA MB 4.470 . 4.470 4.272 4.055 4.536 0.066 10 0 "[ . 1 . 2]" 1
1012 1 144 GLN H 1 145 ALA H 3.330 . 3.330 2.593 2.357 3.062 . 0 0 "[ . 1 . 2]" 1
1013 1 145 ALA H 1 146 ARG H 4.150 . 4.150 3.357 2.545 4.374 0.224 9 0 "[ . 1 . 2]" 1
1014 1 143 THR HG1 1 145 ALA H 5.100 . 5.100 5.156 4.445 5.357 0.257 15 0 "[ . 1 . 2]" 1
1015 1 144 GLN HB2 1 145 ALA H 3.370 . 3.370 2.799 1.912 3.567 0.197 11 0 "[ . 1 . 2]" 1
1016 1 145 ALA H 1 145 ALA MB 2.830 . 2.830 2.541 2.234 2.897 0.067 16 0 "[ . 1 . 2]" 1
1017 1 145 ALA HA 1 146 ARG H 2.950 . 2.950 2.649 2.120 3.136 0.186 6 0 "[ . 1 . 2]" 1
1018 1 146 ARG H 1 146 ARG HB3 3.590 . 3.590 3.383 2.542 3.783 0.193 17 0 "[ . 1 . 2]" 1
1019 1 145 ALA MB 1 146 ARG H 3.840 . 3.840 3.560 3.282 3.720 . 0 0 "[ . 1 . 2]" 1
1020 1 146 ARG H 1 146 ARG HB2 3.590 . 3.590 2.847 2.322 3.756 0.166 7 0 "[ . 1 . 2]" 1
1021 1 146 ARG HA 1 147 ARG H 3.090 . 3.090 2.382 2.131 3.245 0.155 3 0 "[ . 1 . 2]" 1
1022 1 147 ARG H 1 147 ARG HG2 4.690 . 4.690 3.475 1.921 4.677 . 0 0 "[ . 1 . 2]" 1
1023 1 147 ARG H 1 147 ARG HG3 4.690 . 4.690 3.903 2.570 4.851 0.161 11 0 "[ . 1 . 2]" 1
1024 1 146 ARG HB3 1 147 ARG H 4.280 . 4.280 3.387 2.097 4.382 0.102 5 0 "[ . 1 . 2]" 1
1025 1 146 ARG HB2 1 147 ARG H 4.280 . 4.280 3.669 2.642 4.489 0.209 6 0 "[ . 1 . 2]" 1
1026 1 109 ASN HB3 1 109 ASN HD22 3.960 . 3.960 3.550 3.482 4.059 0.099 12 0 "[ . 1 . 2]" 1
1027 1 109 ASN HB2 1 109 ASN HD22 3.960 . 3.960 4.000 3.494 4.077 0.117 20 0 "[ . 1 . 2]" 1
1028 1 12 GLN HA 1 12 GLN HE22 4.420 . 4.420 3.827 3.157 4.670 0.250 2 0 "[ . 1 . 2]" 1
1029 1 12 GLN HE21 1 100 ILE MG 4.620 . 4.620 3.680 2.264 4.854 0.234 17 0 "[ . 1 . 2]" 1
1030 1 12 GLN HA 1 12 GLN HE21 4.420 . 4.420 3.441 2.321 4.647 0.227 4 0 "[ . 1 . 2]" 1
1031 1 99 GLN HB2 1 99 GLN HE21 4.110 . 4.110 3.051 1.861 3.717 . 0 0 "[ . 1 . 2]" 1
1032 1 99 GLN HE21 1 102 THR MG 4.120 . 4.120 3.192 1.966 4.343 0.223 5 0 "[ . 1 . 2]" 1
1033 1 99 GLN HE21 1 107 ILE MD 4.840 . 4.840 2.825 1.846 3.711 . 0 0 "[ . 1 . 2]" 1
1034 1 99 GLN HE22 1 107 ILE MD 4.650 . 4.650 3.589 2.239 4.886 0.236 6 0 "[ . 1 . 2]" 1
1035 1 99 GLN HE22 1 102 THR MG 4.090 . 4.090 3.116 1.924 3.950 . 0 0 "[ . 1 . 2]" 1
1036 1 99 GLN HB2 1 99 GLN HE22 4.590 . 4.590 4.312 3.507 4.864 0.274 16 0 "[ . 1 . 2]" 1
1037 1 99 GLN H 1 99 GLN HE21 5.500 . 5.500 5.239 4.248 5.788 0.288 11 0 "[ . 1 . 2]" 1
1038 1 80 GLN HA 1 80 GLN HE21 4.900 . 4.900 3.554 2.313 4.918 0.018 18 0 "[ . 1 . 2]" 1
1039 1 80 GLN HA 1 80 GLN HE22 4.900 . 4.900 3.915 3.080 4.834 . 0 0 "[ . 1 . 2]" 1
1040 1 144 GLN HA 1 144 GLN HE22 5.280 . 5.280 3.830 3.106 5.569 0.289 13 0 "[ . 1 . 2]" 1
1041 1 144 GLN HA 1 144 GLN HE21 4.570 . 4.570 3.399 2.397 4.458 . 0 0 "[ . 1 . 2]" 1
1042 1 136 VAL MG1 1 144 GLN HE21 5.420 . 5.420 3.264 1.819 5.695 0.275 2 0 "[ . 1 . 2]" 1
1043 1 136 VAL MG2 1 144 GLN HE21 5.420 . 5.420 3.590 1.861 5.691 0.271 6 0 "[ . 1 . 2]" 1
1044 1 23 GLN HA 1 23 GLN HE22 5.500 . 5.500 4.553 4.037 4.901 . 0 0 "[ . 1 . 2]" 1
1045 1 108 ILE MG 1 128 ASN HD21 3.950 . 3.950 2.665 1.834 4.158 0.208 14 0 "[ . 1 . 2]" 1
1046 1 128 ASN HA 1 128 ASN HD21 4.030 . 4.030 2.758 1.806 3.720 . 0 0 "[ . 1 . 2]" 1
1047 1 128 ASN HA 1 128 ASN HD22 4.030 . 4.030 3.850 3.266 4.237 0.207 12 0 "[ . 1 . 2]" 1
1048 1 23 GLN HA 1 23 GLN HE21 5.500 . 5.500 4.661 4.047 4.909 . 0 0 "[ . 1 . 2]" 1
1049 1 12 GLN HE22 1 100 ILE MG 4.620 . 4.620 2.979 1.803 4.576 . 0 0 "[ . 1 . 2]" 1
1050 1 6 LYS H 1 7 LYS QB 4.320 . 4.320 4.357 3.929 4.550 0.230 18 0 "[ . 1 . 2]" 1
1051 1 7 LYS H 1 7 LYS QB 3.480 . 3.480 2.513 2.320 2.975 . 0 0 "[ . 1 . 2]" 1
1052 1 8 SER QB 1 9 ALA H 4.160 . 4.160 3.050 2.202 3.694 . 0 0 "[ . 1 . 2]" 1
1053 1 9 ALA MB 1 48 ASP QB 3.920 . 3.920 2.591 1.854 3.461 . 0 0 "[ . 1 . 2]" 1
1054 1 12 GLN H 1 12 GLN QB 3.300 . 3.300 2.405 2.156 2.721 . 0 0 "[ . 1 . 2]" 1
1055 1 12 GLN H 1 12 GLN QG 3.740 . 3.740 2.840 1.896 3.959 0.219 6 0 "[ . 1 . 2]" 1
1056 1 12 GLN H 1 12 GLN QE 4.470 . 4.470 3.854 2.440 4.698 0.228 7 0 "[ . 1 . 2]" 1
1057 1 12 GLN QB 1 13 SER H 3.660 . 3.660 2.568 2.300 2.816 . 0 0 "[ . 1 . 2]" 1
1058 1 12 GLN QB 1 47 ALA H 4.950 . 4.950 4.648 4.253 5.033 0.083 17 0 "[ . 1 . 2]" 1
1059 1 12 GLN QB 1 47 ALA HA 4.050 . 4.050 2.198 1.795 2.579 0.005 4 0 "[ . 1 . 2]" 1
1060 1 12 GLN QB 1 47 ALA MB 3.410 . 3.410 2.519 1.864 3.560 0.150 5 0 "[ . 1 . 2]" 1
1061 1 12 GLN QG 1 13 SER H 4.650 . 4.650 3.852 3.104 4.641 . 0 0 "[ . 1 . 2]" 1
1062 1 12 GLN QG 1 47 ALA H 5.340 . 5.340 5.198 4.183 5.618 0.278 20 0 "[ . 1 . 2]" 1
1063 1 12 GLN QG 1 47 ALA HA 3.450 . 3.450 2.887 2.261 3.469 0.019 8 0 "[ . 1 . 2]" 1
1064 1 12 GLN QG 1 47 ALA MB 3.830 . 3.830 3.624 3.170 4.023 0.193 19 0 "[ . 1 . 2]" 1
1065 1 12 GLN QG 1 48 ASP H 3.990 . 3.990 2.574 1.799 4.198 0.208 15 0 "[ . 1 . 2]" 1
1066 1 12 GLN QG 1 100 ILE MG 4.410 . 4.410 3.903 1.793 4.635 0.225 15 0 "[ . 1 . 2]" 1
1067 1 12 GLN QE 1 100 ILE MG 3.980 . 3.980 2.764 1.795 3.813 0.005 6 0 "[ . 1 . 2]" 1
1068 1 17 ALA HA 1 21 LEU QD 3.660 . 3.660 3.371 2.795 3.845 0.185 5 0 "[ . 1 . 2]" 1
1069 1 17 ALA MB 1 21 LEU QD 2.960 . 2.960 2.581 2.229 2.987 0.027 5 0 "[ . 1 . 2]" 1
1070 1 18 THR H 1 19 GLN QG 4.730 . 4.730 4.234 3.865 4.790 0.060 16 0 "[ . 1 . 2]" 1
1071 1 18 THR H 1 21 LEU QD 4.500 . 4.500 4.057 3.574 4.499 . 0 0 "[ . 1 . 2]" 1
1072 1 18 THR HA 1 21 LEU QD 3.800 . 3.800 2.921 2.306 3.878 0.078 4 0 "[ . 1 . 2]" 1
1073 1 18 THR MG 1 19 GLN QG 4.850 . 4.850 3.549 2.315 5.091 0.241 6 0 "[ . 1 . 2]" 1
1074 1 19 GLN H 1 19 GLN QG 3.160 . 3.160 2.191 1.802 2.632 . 0 0 "[ . 1 . 2]" 1
1075 1 19 GLN H 1 20 GLY QA 5.230 . 5.230 4.524 4.395 4.691 . 0 0 "[ . 1 . 2]" 1
1076 1 19 GLN H 1 89 LEU QD 5.350 . 5.350 5.334 4.803 5.642 0.292 10 0 "[ . 1 . 2]" 1
1077 1 19 GLN HA 1 19 GLN QG 3.260 . 3.260 2.905 2.413 3.395 0.135 10 0 "[ . 1 . 2]" 1
1078 1 19 GLN HA 1 22 TYR QB 4.080 . 4.080 2.697 2.190 3.337 . 0 0 "[ . 1 . 2]" 1
1079 1 19 GLN QG 1 20 GLY H 4.120 . 4.120 3.768 2.156 4.154 0.034 5 0 "[ . 1 . 2]" 1
1080 1 19 GLN QG 1 89 LEU QD 4.080 . 4.080 4.090 2.643 4.291 0.211 13 0 "[ . 1 . 2]" 1
1081 1 20 GLY H 1 21 LEU QD 4.080 . 4.080 3.873 3.594 4.291 0.211 2 0 "[ . 1 . 2]" 1
1082 1 20 GLY H 1 89 LEU QD 4.370 . 4.370 4.055 3.421 4.594 0.224 17 0 "[ . 1 . 2]" 1
1083 1 20 GLY QA 1 21 LEU QD 4.120 . 4.120 3.255 3.100 3.622 . 0 0 "[ . 1 . 2]" 1
1084 1 20 GLY QA 1 89 LEU QD 3.800 . 3.800 2.855 2.119 3.444 . 0 0 "[ . 1 . 2]" 1
1085 1 21 LEU H 1 21 LEU QD 3.720 . 3.720 2.191 2.034 2.773 . 0 0 "[ . 1 . 2]" 1
1086 1 22 TYR HE2 1 26 LEU QD 3.480 . 3.480 3.380 2.689 3.656 0.176 20 0 "[ . 1 . 2]" 1
1087 1 22 TYR HD2 1 26 LEU QD 4.590 . 4.590 4.252 1.848 4.651 0.061 7 0 "[ . 1 . 2]" 1
1088 1 23 GLN H 1 23 GLN QG 4.070 . 4.070 4.029 3.920 4.074 0.004 9 0 "[ . 1 . 2]" 1
1089 1 23 GLN HA 1 23 GLN QG 3.310 . 3.310 2.995 2.338 3.141 . 0 0 "[ . 1 . 2]" 1
1090 1 23 GLN HA 1 23 GLN QE 4.700 . 4.700 4.095 3.601 4.285 . 0 0 "[ . 1 . 2]" 1
1091 1 23 GLN HA 1 26 LEU QD 3.900 . 3.900 3.257 2.136 3.468 . 0 0 "[ . 1 . 2]" 1
1092 1 23 GLN HB2 1 26 LEU QD 4.680 . 4.680 4.799 3.833 4.917 0.237 1 0 "[ . 1 . 2]" 1
1093 1 23 GLN HB3 1 89 LEU QD 3.850 . 3.850 2.993 2.678 3.445 . 0 0 "[ . 1 . 2]" 1
1094 1 23 GLN QG 1 24 TRP H 4.190 . 4.190 3.681 3.417 4.408 0.218 20 0 "[ . 1 . 2]" 1
1095 1 23 GLN QG 1 27 SER H 5.340 . 5.340 4.101 3.730 4.816 . 0 0 "[ . 1 . 2]" 1
1096 1 23 GLN QG 1 29 ALA MB 4.290 . 4.290 3.771 3.112 4.505 0.215 3 0 "[ . 1 . 2]" 1
1097 1 23 GLN QG 1 34 ILE MD 3.650 . 3.650 2.329 1.804 3.707 0.057 20 0 "[ . 1 . 2]" 1
1098 1 23 GLN QG 1 89 LEU QD 4.550 . 4.550 2.070 1.797 2.469 0.003 8 0 "[ . 1 . 2]" 1
1099 1 23 GLN QE 1 29 ALA MB 4.860 . 4.860 4.164 2.134 5.097 0.237 3 0 "[ . 1 . 2]" 1
1100 1 23 GLN QE 1 34 ILE MD 4.380 . 4.380 4.125 3.773 4.609 0.229 9 0 "[ . 1 . 2]" 1
1101 1 23 GLN QE 1 81 LEU HA 5.340 . 5.340 5.511 5.093 5.621 0.281 20 0 "[ . 1 . 2]" 1
1102 1 23 GLN QE 1 81 LEU QB 4.680 . 4.680 4.207 3.444 4.921 0.241 1 0 "[ . 1 . 2]" 1
1103 1 23 GLN QE 1 81 LEU HG 4.320 . 4.320 3.936 2.941 4.547 0.227 16 0 "[ . 1 . 2]" 1
1104 1 23 GLN QE 1 81 LEU QD 3.280 . 3.280 2.470 1.801 3.442 0.162 10 0 "[ . 1 . 2]" 1
1105 1 24 TRP QB 1 34 ILE MD 3.130 . 3.130 2.239 1.798 2.730 0.002 20 0 "[ . 1 . 2]" 1
1106 1 24 TRP HE3 1 25 LEU QD 4.380 . 4.380 3.270 1.912 4.048 . 0 0 "[ . 1 . 2]" 1
1107 1 24 TRP HZ3 1 25 LEU QD 4.590 . 4.590 3.340 2.444 4.466 . 0 0 "[ . 1 . 2]" 1
1108 1 25 LEU H 1 25 LEU QD 4.070 . 4.070 3.501 3.046 3.738 . 0 0 "[ . 1 . 2]" 1
1109 1 25 LEU HA 1 25 LEU QD 3.230 . 3.230 2.103 1.974 3.080 . 0 0 "[ . 1 . 2]" 1
1110 1 25 LEU QB 1 26 LEU H 3.740 . 3.740 2.815 2.632 3.012 . 0 0 "[ . 1 . 2]" 1
1111 1 26 LEU H 1 26 LEU QB 3.150 . 3.150 2.289 2.222 2.492 . 0 0 "[ . 1 . 2]" 1
1112 1 26 LEU H 1 26 LEU QD 3.890 . 3.890 3.583 2.299 3.799 . 0 0 "[ . 1 . 2]" 1
1113 1 26 LEU HA 1 26 LEU QD 3.000 . 3.000 2.101 1.990 2.487 . 0 0 "[ . 1 . 2]" 1
1114 1 26 LEU QD 1 27 SER H 4.170 . 4.170 3.580 2.819 4.137 . 0 0 "[ . 1 . 2]" 1
1115 1 27 SER H 1 27 SER QB 3.610 . 3.610 2.395 2.247 2.800 . 0 0 "[ . 1 . 2]" 1
1116 1 28 ASN H 1 28 ASN QB 3.640 . 3.640 3.080 2.870 3.349 . 0 0 "[ . 1 . 2]" 1
1117 1 28 ASN QB 1 28 ASN QD 3.000 . 3.000 2.245 2.127 2.706 . 0 0 "[ . 1 . 2]" 1
1118 1 29 ALA MB 1 33 GLU QB 3.200 . 3.200 2.981 2.511 3.366 0.166 2 0 "[ . 1 . 2]" 1
1119 1 29 ALA MB 1 33 GLU QG 4.610 . 4.610 3.669 1.799 4.341 0.001 17 0 "[ . 1 . 2]" 1
1120 1 30 ALA H 1 33 GLU QB 3.550 . 3.550 3.152 2.780 3.679 0.129 1 0 "[ . 1 . 2]" 1
1121 1 30 ALA MB 1 33 GLU QB 3.250 . 3.250 2.671 1.790 2.963 0.010 18 0 "[ . 1 . 2]" 1
1122 1 30 ALA MB 1 33 GLU QG 3.460 . 3.460 2.108 1.778 3.271 0.022 5 0 "[ . 1 . 2]" 1
1123 1 32 GLY QA 1 34 ILE H 4.760 . 4.760 4.059 3.809 4.409 . 0 0 "[ . 1 . 2]" 1
1124 1 33 GLU H 1 33 GLU QB 2.900 . 2.900 2.381 2.189 2.567 . 0 0 "[ . 1 . 2]" 1
1125 1 33 GLU HA 1 33 GLU QG 3.620 . 3.620 2.622 2.309 3.038 . 0 0 "[ . 1 . 2]" 1
1126 1 33 GLU QB 1 34 ILE H 3.910 . 3.910 2.542 2.261 2.746 . 0 0 "[ . 1 . 2]" 1
1127 1 33 GLU QB 1 36 ALA H 5.340 . 5.340 5.077 4.765 5.319 . 0 0 "[ . 1 . 2]" 1
1128 1 34 ILE HA 1 89 LEU QD 3.600 . 3.600 3.226 2.678 3.781 0.181 18 0 "[ . 1 . 2]" 1
1129 1 34 ILE HB 1 89 LEU QD 4.600 . 4.600 4.498 4.090 4.833 0.233 19 0 "[ . 1 . 2]" 1
1130 1 34 ILE MG 1 37 GLN QB 3.820 . 3.820 3.688 3.245 4.019 0.199 14 0 "[ . 1 . 2]" 1
1131 1 34 ILE MG 1 89 LEU QD 3.090 . 3.090 2.122 1.793 2.680 0.007 1 0 "[ . 1 . 2]" 1
1132 1 34 ILE HG12 1 89 LEU QD 4.060 . 4.060 3.142 2.014 3.560 . 0 0 "[ . 1 . 2]" 1
1133 1 34 ILE HG13 1 89 LEU QD 4.570 . 4.570 4.443 3.357 4.813 0.243 7 0 "[ . 1 . 2]" 1
1134 1 36 ALA H 1 89 LEU QD 5.440 . 5.440 5.704 5.557 5.730 0.290 18 0 "[ . 1 . 2]" 1
1135 1 36 ALA HA 1 39 ARG QD 3.990 . 3.990 3.142 1.797 4.126 0.136 1 0 "[ . 1 . 2]" 1
1136 1 36 ALA MB 1 73 SER QB 3.210 . 3.210 2.435 1.847 3.368 0.158 10 0 "[ . 1 . 2]" 1
1137 1 37 GLN H 1 37 GLN QB 3.110 . 3.110 2.461 2.288 2.651 . 0 0 "[ . 1 . 2]" 1
1138 1 37 GLN H 1 89 LEU QD 4.240 . 4.240 4.367 4.180 4.477 0.237 11 0 "[ . 1 . 2]" 1
1139 1 37 GLN HA 1 37 GLN QG 3.500 . 3.500 2.990 2.368 3.464 . 0 0 "[ . 1 . 2]" 1
1140 1 37 GLN HA 1 37 GLN QE 5.340 . 5.340 3.713 2.415 5.537 0.197 14 0 "[ . 1 . 2]" 1
1141 1 37 GLN QB 1 38 LEU H 3.940 . 3.940 2.883 2.420 3.567 . 0 0 "[ . 1 . 2]" 1
1142 1 37 GLN QB 1 89 LEU QD 3.950 . 3.950 2.836 2.100 3.679 . 0 0 "[ . 1 . 2]" 1
1143 1 37 GLN QE 1 37 GLN QG 2.970 . 2.970 2.314 2.141 2.692 . 0 0 "[ . 1 . 2]" 1
1144 1 37 GLN QG 1 89 LEU QD 3.920 . 3.920 2.386 1.791 3.629 0.009 8 0 "[ . 1 . 2]" 1
1145 1 37 GLN QE 1 38 LEU H 5.340 . 5.340 4.636 3.054 5.635 0.295 18 0 "[ . 1 . 2]" 1
1146 1 37 GLN QE 1 89 LEU QD 4.760 . 4.760 2.863 1.797 4.074 0.003 4 0 "[ . 1 . 2]" 1
1147 1 38 LEU H 1 38 LEU QB 3.140 . 3.140 2.275 2.115 2.439 . 0 0 "[ . 1 . 2]" 1
1148 1 38 LEU H 1 38 LEU QD 4.500 . 4.500 3.411 1.797 3.796 0.003 18 0 "[ . 1 . 2]" 1
1149 1 38 LEU H 1 39 ARG QB 4.480 . 4.480 4.325 3.942 4.706 0.226 11 0 "[ . 1 . 2]" 1
1150 1 38 LEU HA 1 38 LEU QD 3.140 . 3.140 2.137 1.918 3.095 . 0 0 "[ . 1 . 2]" 1
1151 1 38 LEU QB 1 39 ARG H 3.850 . 3.850 2.882 2.516 3.251 . 0 0 "[ . 1 . 2]" 1
1152 1 38 LEU QB 1 39 ARG QB 4.790 . 4.790 4.391 3.834 4.881 0.091 1 0 "[ . 1 . 2]" 1
1153 1 39 ARG H 1 39 ARG QB 3.310 . 3.310 2.320 2.139 2.585 . 0 0 "[ . 1 . 2]" 1
1154 1 39 ARG H 1 39 ARG QG 4.000 . 4.000 3.195 2.050 4.071 0.071 2 0 "[ . 1 . 2]" 1
1155 1 39 ARG H 1 39 ARG QD 4.190 . 4.190 3.712 2.321 4.323 0.133 10 0 "[ . 1 . 2]" 1
1156 1 39 ARG HA 1 39 ARG QG 3.630 . 3.630 2.734 2.233 3.484 . 0 0 "[ . 1 . 2]" 1
1157 1 39 ARG HA 1 39 ARG QD 4.220 . 4.220 3.026 1.888 4.263 0.043 15 0 "[ . 1 . 2]" 1
1158 1 39 ARG QB 1 40 GLY H 4.150 . 4.150 2.869 2.482 3.709 . 0 0 "[ . 1 . 2]" 1
1159 1 39 ARG QG 1 40 GLY H 5.050 . 5.050 3.981 2.605 4.703 . 0 0 "[ . 1 . 2]" 1
1160 1 42 LEU HG 1 44 TYR QB 4.840 . 4.840 3.245 2.260 4.868 0.028 18 0 "[ . 1 . 2]" 1
1161 1 44 TYR H 1 44 TYR QB 3.120 . 3.120 2.177 2.096 2.593 . 0 0 "[ . 1 . 2]" 1
1162 1 44 TYR QB 1 45 ASP H 3.550 . 3.550 2.617 2.180 3.734 0.184 3 0 "[ . 1 . 2]" 1
1163 1 45 ASP H 1 45 ASP QB 3.150 . 3.150 2.346 2.239 2.685 . 0 0 "[ . 1 . 2]" 1
1164 1 45 ASP QB 1 47 ALA H 5.070 . 5.070 4.664 4.516 4.818 . 0 0 "[ . 1 . 2]" 1
1165 1 46 LYS H 1 46 LYS QG 4.320 . 4.320 3.241 2.209 4.071 . 0 0 "[ . 1 . 2]" 1
1166 1 46 LYS H 1 46 LYS QD 4.110 . 4.110 3.187 2.241 4.324 0.214 5 0 "[ . 1 . 2]" 1
1167 1 46 LYS HA 1 46 LYS QD 3.420 . 3.420 2.466 1.929 3.621 0.201 19 0 "[ . 1 . 2]" 1
1168 1 46 LYS QB 1 46 LYS QD 3.130 . 3.130 2.400 2.092 2.781 . 0 0 "[ . 1 . 2]" 1
1169 1 46 LYS QB 1 47 ALA H 4.240 . 4.240 3.561 3.178 3.873 . 0 0 "[ . 1 . 2]" 1
1170 1 46 LYS QD 1 46 LYS QG 2.350 . 2.350 2.084 2.001 2.100 . 0 0 "[ . 1 . 2]" 1
1171 1 46 LYS QD 1 47 ALA H 5.240 . 5.240 4.585 4.162 5.510 0.270 5 0 "[ . 1 . 2]" 1
1172 1 48 ASP H 1 48 ASP QB 3.650 . 3.650 2.987 2.377 3.293 . 0 0 "[ . 1 . 2]" 1
1173 1 49 LYS QB 1 50 THR H 4.210 . 4.210 3.137 2.313 3.632 . 0 0 "[ . 1 . 2]" 1
1174 1 53 ASP H 1 53 ASP QB 3.150 . 3.150 2.321 2.230 2.509 . 0 0 "[ . 1 . 2]" 1
1175 1 54 THR H 1 55 ILE QG 4.280 . 4.280 3.997 3.699 4.492 0.212 4 0 "[ . 1 . 2]" 1
1176 1 54 THR HB 1 55 ILE QG 5.340 . 5.340 4.603 3.463 5.239 . 0 0 "[ . 1 . 2]" 1
1177 1 54 THR MG 1 55 ILE QG 3.370 . 3.370 2.617 2.156 3.544 0.174 15 0 "[ . 1 . 2]" 1
1178 1 55 ILE H 1 55 ILE QG 3.860 . 3.860 2.192 1.985 2.363 . 0 0 "[ . 1 . 2]" 1
1179 1 55 ILE HA 1 59 VAL QG 4.850 . 4.850 4.638 3.959 5.096 0.246 5 0 "[ . 1 . 2]" 1
1180 1 57 HIS H 1 57 HIS QB 3.670 . 3.670 2.358 2.083 2.587 . 0 0 "[ . 1 . 2]" 1
1181 1 57 HIS QB 1 58 GLY H 4.340 . 4.340 2.632 2.437 2.901 . 0 0 "[ . 1 . 2]" 1
1182 1 58 GLY H 1 59 VAL QG 4.540 . 4.540 4.035 3.703 4.329 . 0 0 "[ . 1 . 2]" 1
1183 1 59 VAL H 1 59 VAL QG 3.250 . 3.250 2.221 1.920 2.564 . 0 0 "[ . 1 . 2]" 1
1184 1 59 VAL HA 1 59 VAL QG 3.070 . 3.070 2.214 2.124 2.304 . 0 0 "[ . 1 . 2]" 1
1185 1 59 VAL QG 1 60 ILE H 3.870 . 3.870 2.495 2.096 3.038 . 0 0 "[ . 1 . 2]" 1
1186 1 59 VAL QG 1 60 ILE HA 4.390 . 4.390 3.134 3.003 3.290 . 0 0 "[ . 1 . 2]" 1
1187 1 59 VAL QG 1 60 ILE MD 3.870 . 3.870 3.749 3.401 4.082 0.212 7 0 "[ . 1 . 2]" 1
1188 1 59 VAL QG 1 62 GLU H 5.440 . 5.440 4.995 4.374 5.195 . 0 0 "[ . 1 . 2]" 1
1189 1 59 VAL QG 1 63 HIS H 5.440 . 5.440 4.714 3.546 5.223 . 0 0 "[ . 1 . 2]" 1
1190 1 59 VAL QG 1 94 TYR HB2 5.300 . 5.300 3.986 3.288 4.916 . 0 0 "[ . 1 . 2]" 1
1191 1 59 VAL QG 1 94 TYR HB3 4.820 . 4.820 2.793 1.903 3.944 . 0 0 "[ . 1 . 2]" 1
1192 1 59 VAL QG 1 94 TYR HE2 4.490 . 4.490 3.829 2.605 4.715 0.225 4 0 "[ . 1 . 2]" 1
1193 1 59 VAL QG 1 94 TYR HD2 4.060 . 4.060 3.363 1.984 4.269 0.209 9 0 "[ . 1 . 2]" 1
1194 1 60 ILE H 1 61 ARG QB 4.720 . 4.720 4.521 4.285 4.785 0.065 7 0 "[ . 1 . 2]" 1
1195 1 60 ILE MG 1 61 ARG QB 4.740 . 4.740 3.781 3.443 4.630 . 0 0 "[ . 1 . 2]" 1
1196 1 61 ARG H 1 61 ARG QB 3.230 . 3.230 2.279 2.157 2.445 . 0 0 "[ . 1 . 2]" 1
1197 1 61 ARG HA 1 61 ARG QG 3.450 . 3.450 2.648 2.357 3.164 . 0 0 "[ . 1 . 2]" 1
1198 1 61 ARG HA 1 61 ARG QD 4.760 . 4.760 3.271 1.968 4.302 . 0 0 "[ . 1 . 2]" 1
1199 1 61 ARG QB 1 62 GLU H 3.440 . 3.440 2.358 2.206 2.597 . 0 0 "[ . 1 . 2]" 1
1200 1 61 ARG QG 1 62 GLU H 4.190 . 4.190 3.649 3.019 4.421 0.231 17 0 "[ . 1 . 2]" 1
1201 1 62 GLU H 1 62 GLU QG 4.100 . 4.100 3.075 2.103 4.069 . 0 0 "[ . 1 . 2]" 1
1202 1 62 GLU H 1 63 HIS QB 4.850 . 4.850 4.359 4.009 4.626 . 0 0 "[ . 1 . 2]" 1
1203 1 63 HIS H 1 63 HIS QB 3.280 . 3.280 2.207 2.098 2.505 . 0 0 "[ . 1 . 2]" 1
1204 1 67 ALA MB 1 68 GLU QG 4.010 . 4.010 3.089 2.728 3.367 . 0 0 "[ . 1 . 2]" 1
1205 1 68 GLU H 1 68 GLU QB 3.050 . 3.050 2.438 2.379 2.523 . 0 0 "[ . 1 . 2]" 1
1206 1 68 GLU QB 1 69 ALA H 3.440 . 3.440 2.722 2.425 2.937 . 0 0 "[ . 1 . 2]" 1
1207 1 70 ILE H 1 71 SER QB 4.420 . 4.420 4.328 4.128 4.638 0.218 11 0 "[ . 1 . 2]" 1
1208 1 70 ILE MG 1 71 SER QB 3.550 . 3.550 3.145 2.858 3.671 0.121 11 0 "[ . 1 . 2]" 1
1209 1 71 SER H 1 71 SER QB 3.120 . 3.120 2.288 2.244 2.467 . 0 0 "[ . 1 . 2]" 1
1210 1 71 SER H 1 72 PRO QD 3.400 . 3.400 2.095 1.941 2.283 . 0 0 "[ . 1 . 2]" 1
1211 1 71 SER QB 1 72 PRO QD 3.590 . 3.590 1.941 1.866 2.055 . 0 0 "[ . 1 . 2]" 1
1212 1 71 SER QB 1 78 ILE MG 4.480 . 4.480 3.168 2.584 3.734 . 0 0 "[ . 1 . 2]" 1
1213 1 71 SER QB 1 78 ILE MD 4.130 . 4.130 3.063 2.179 4.352 0.222 11 0 "[ . 1 . 2]" 1
1214 1 72 PRO QB 1 73 SER H 4.080 . 4.080 3.641 3.348 3.911 . 0 0 "[ . 1 . 2]" 1
1215 1 72 PRO QD 1 73 SER H 3.970 . 3.970 2.812 2.568 3.056 . 0 0 "[ . 1 . 2]" 1
1216 1 73 SER H 1 73 SER QB 3.440 . 3.440 2.409 2.236 2.633 . 0 0 "[ . 1 . 2]" 1
1217 1 73 SER QB 1 74 LEU H 4.090 . 4.090 2.964 2.335 3.691 . 0 0 "[ . 1 . 2]" 1
1218 1 73 SER QB 1 74 LEU HG 4.310 . 4.310 3.585 2.667 4.535 0.225 8 0 "[ . 1 . 2]" 1
1219 1 78 ILE H 1 78 ILE QG 4.550 . 4.550 3.978 3.928 4.021 . 0 0 "[ . 1 . 2]" 1
1220 1 78 ILE HA 1 78 ILE QG 3.710 . 3.710 2.405 2.350 2.538 . 0 0 "[ . 1 . 2]" 1
1221 1 78 ILE QG 1 78 ILE MG 3.060 . 3.060 2.351 2.322 2.380 . 0 0 "[ . 1 . 2]" 1
1222 1 78 ILE MG 1 79 ASP QB 4.320 . 4.320 3.525 2.414 4.190 . 0 0 "[ . 1 . 2]" 1
1223 1 78 ILE QG 1 79 ASP H 4.570 . 4.570 4.025 3.609 4.223 . 0 0 "[ . 1 . 2]" 1
1224 1 78 ILE QG 1 80 GLN H 5.080 . 5.080 4.620 4.370 5.091 0.011 3 0 "[ . 1 . 2]" 1
1225 1 78 ILE QG 1 86 ARG QD 3.910 . 3.910 2.215 1.794 3.073 0.006 10 0 "[ . 1 . 2]" 1
1226 1 78 ILE MD 1 86 ARG QD 4.020 . 4.020 2.916 1.863 3.958 . 0 0 "[ . 1 . 2]" 1
1227 1 79 ASP H 1 79 ASP QB 3.140 . 3.140 2.385 2.188 2.753 . 0 0 "[ . 1 . 2]" 1
1228 1 80 GLN H 1 80 GLN QB 3.440 . 3.440 2.302 2.193 2.530 . 0 0 "[ . 1 . 2]" 1
1229 1 80 GLN H 1 80 GLN QG 4.050 . 4.050 3.401 2.105 4.072 0.022 12 0 "[ . 1 . 2]" 1
1230 1 80 GLN HA 1 80 GLN QG 3.710 . 3.710 2.830 2.360 3.139 . 0 0 "[ . 1 . 2]" 1
1231 1 80 GLN QB 1 80 GLN QE 3.630 . 3.630 2.987 1.792 3.734 0.104 10 0 "[ . 1 . 2]" 1
1232 1 80 GLN QE 1 80 GLN QG 2.900 . 2.900 2.249 2.110 2.702 . 0 0 "[ . 1 . 2]" 1
1233 1 81 LEU HA 1 81 LEU QD 3.120 . 3.120 2.033 1.847 3.302 0.182 19 0 "[ . 1 . 2]" 1
1234 1 81 LEU QB 1 82 SER H 3.690 . 3.690 3.175 2.317 3.827 0.137 1 0 "[ . 1 . 2]" 1
1235 1 81 LEU QD 1 82 SER H 3.570 . 3.570 2.821 1.811 3.752 0.182 19 0 "[ . 1 . 2]" 1
1236 1 82 SER H 1 82 SER QB 3.630 . 3.630 2.594 2.256 2.658 . 0 0 "[ . 1 . 2]" 1
1237 1 82 SER QB 1 84 VAL H 3.970 . 3.970 3.337 2.793 4.151 0.181 17 0 "[ . 1 . 2]" 1
1238 1 84 VAL H 1 84 VAL QG 3.060 . 3.060 2.012 1.925 2.124 . 0 0 "[ . 1 . 2]" 1
1239 1 84 VAL H 1 85 GLU QG 4.580 . 4.580 4.234 3.661 4.816 0.236 10 0 "[ . 1 . 2]" 1
1240 1 84 VAL QG 1 85 GLU H 3.750 . 3.750 2.583 1.848 3.257 . 0 0 "[ . 1 . 2]" 1
1241 1 84 VAL QG 1 85 GLU QG 4.520 . 4.520 2.979 1.986 4.060 . 0 0 "[ . 1 . 2]" 1
1242 1 84 VAL QG 1 88 VAL H 4.060 . 4.060 3.875 3.722 4.054 . 0 0 "[ . 1 . 2]" 1
1243 1 84 VAL QG 1 88 VAL QG 3.270 . 3.270 2.366 2.154 2.552 . 0 0 "[ . 1 . 2]" 1
1244 1 84 VAL QG 1 115 ALA HA 3.570 . 3.570 2.505 1.799 3.381 0.001 4 0 "[ . 1 . 2]" 1
1245 1 84 VAL QG 1 115 ALA MB 3.730 . 3.730 2.463 2.005 3.291 . 0 0 "[ . 1 . 2]" 1
1246 1 84 VAL QG 1 118 PHE H 4.830 . 4.830 4.255 3.535 4.928 0.098 10 0 "[ . 1 . 2]" 1
1247 1 84 VAL QG 1 118 PHE QB 3.000 . 3.000 2.521 2.033 3.160 0.160 3 0 "[ . 1 . 2]" 1
1248 1 84 VAL QG 1 118 PHE HD2 4.120 . 4.120 3.938 3.296 4.335 0.215 5 0 "[ . 1 . 2]" 1
1249 1 84 VAL QG 1 119 GLY H 3.730 . 3.730 3.372 2.780 3.926 0.196 9 0 "[ . 1 . 2]" 1
1250 1 84 VAL QG 1 119 GLY QA 4.150 . 4.150 2.646 2.089 3.405 . 0 0 "[ . 1 . 2]" 1
1251 1 84 VAL QG 1 127 VAL QG 3.760 . 3.760 3.308 2.308 3.916 0.156 17 0 "[ . 1 . 2]" 1
1252 1 85 GLU H 1 85 GLU QG 4.120 . 4.120 2.173 1.842 2.699 . 0 0 "[ . 1 . 2]" 1
1253 1 85 GLU HA 1 85 GLU QG 3.610 . 3.610 2.729 2.388 3.292 . 0 0 "[ . 1 . 2]" 1
1254 1 85 GLU QG 1 86 ARG H 4.260 . 4.260 3.942 3.351 4.392 0.132 10 0 "[ . 1 . 2]" 1
1255 1 86 ARG H 1 86 ARG QB 3.330 . 3.330 2.407 2.110 2.753 . 0 0 "[ . 1 . 2]" 1
1256 1 86 ARG QB 1 87 ALA H 3.680 . 3.680 2.786 2.116 3.562 . 0 0 "[ . 1 . 2]" 1
1257 1 87 ALA H 1 88 VAL QG 4.680 . 4.680 4.205 4.056 4.337 . 0 0 "[ . 1 . 2]" 1
1258 1 87 ALA MB 1 88 VAL QG 3.130 . 3.130 3.018 2.874 3.182 0.052 4 0 "[ . 1 . 2]" 1
1259 1 88 VAL H 1 88 VAL QG 3.050 . 3.050 2.172 2.056 2.255 . 0 0 "[ . 1 . 2]" 1
1260 1 88 VAL QG 1 111 ALA MB 3.140 . 3.140 2.283 1.794 3.013 0.006 6 0 "[ . 1 . 2]" 1
1261 1 88 VAL QG 1 115 ALA H 4.740 . 4.740 3.972 3.480 4.855 0.115 5 0 "[ . 1 . 2]" 1
1262 1 88 VAL QG 1 115 ALA HA 4.670 . 4.670 3.705 3.212 4.593 . 0 0 "[ . 1 . 2]" 1
1263 1 89 LEU H 1 89 LEU QD 4.290 . 4.290 3.771 3.681 3.825 . 0 0 "[ . 1 . 2]" 1
1264 1 89 LEU QD 1 90 LEU H 4.310 . 4.310 3.607 3.355 3.939 . 0 0 "[ . 1 . 2]" 1
1265 1 92 ALA MB 1 96 LEU QD 4.040 . 4.040 3.424 2.488 4.244 0.204 1 0 "[ . 1 . 2]" 1
1266 1 95 GLU HA 1 99 GLN QG 4.000 . 4.000 3.247 2.855 3.576 . 0 0 "[ . 1 . 2]" 1
1267 1 95 GLU QG 1 107 ILE MD 4.770 . 4.770 3.978 2.136 5.013 0.243 18 0 "[ . 1 . 2]" 1
1268 1 96 LEU H 1 96 LEU QD 4.290 . 4.290 3.377 2.397 3.732 . 0 0 "[ . 1 . 2]" 1
1269 1 96 LEU QD 1 99 GLN H 4.640 . 4.640 3.964 3.540 4.386 . 0 0 "[ . 1 . 2]" 1
1270 1 98 HIS H 1 98 HIS QB 3.580 . 3.580 2.857 2.633 2.965 . 0 0 "[ . 1 . 2]" 1
1271 1 98 HIS QB 1 99 GLN H 4.330 . 4.330 3.934 3.288 4.010 . 0 0 "[ . 1 . 2]" 1
1272 1 99 GLN H 1 99 GLN QG 3.850 . 3.850 3.025 2.731 3.229 . 0 0 "[ . 1 . 2]" 1
1273 1 99 GLN QG 1 102 THR MG 4.350 . 4.350 3.578 3.067 4.492 0.142 18 0 "[ . 1 . 2]" 1
1274 1 100 ILE H 1 100 ILE QG 3.350 . 3.350 3.146 1.794 3.308 0.006 15 0 "[ . 1 . 2]" 1
1275 1 100 ILE H 1 101 GLU QB 4.810 . 4.810 5.022 4.772 5.071 0.261 5 0 "[ . 1 . 2]" 1
1276 1 100 ILE QG 1 100 ILE MG 3.070 . 3.070 2.336 2.111 2.365 . 0 0 "[ . 1 . 2]" 1
1277 1 100 ILE QG 1 101 GLU H 3.810 . 3.810 2.578 2.132 3.522 . 0 0 "[ . 1 . 2]" 1
1278 1 100 ILE MD 1 101 GLU QG 3.900 . 3.900 2.481 1.943 3.188 . 0 0 "[ . 1 . 2]" 1
1279 1 101 GLU H 1 101 GLU QB 3.250 . 3.250 2.735 2.449 2.965 . 0 0 "[ . 1 . 2]" 1
1280 1 101 GLU H 1 101 GLU QG 3.380 . 3.380 2.221 1.793 2.967 0.007 12 0 "[ . 1 . 2]" 1
1281 1 101 GLU HA 1 101 GLU QG 3.380 . 3.380 3.079 2.298 3.361 . 0 0 "[ . 1 . 2]" 1
1282 1 101 GLU QG 1 102 THR H 4.430 . 4.430 3.701 2.769 4.542 0.112 11 0 "[ . 1 . 2]" 1
1283 1 104 TYR QB 1 105 ARG QD 5.180 . 5.180 4.921 4.121 5.270 0.090 1 0 "[ . 1 . 2]" 1
1284 1 104 TYR HD1 1 142 GLU QG 4.620 . 4.620 4.114 3.593 4.872 0.252 18 0 "[ . 1 . 2]" 1
1285 1 104 TYR HE1 1 142 GLU QG 4.480 . 4.480 3.163 2.085 4.005 . 0 0 "[ . 1 . 2]" 1
1286 1 104 TYR HE2 1 105 ARG QD 4.260 . 4.260 2.844 2.335 3.532 . 0 0 "[ . 1 . 2]" 1
1287 1 105 ARG H 1 105 ARG QG 3.430 . 3.430 2.461 1.950 3.615 0.185 7 0 "[ . 1 . 2]" 1
1288 1 105 ARG H 1 105 ARG QD 4.080 . 4.080 3.273 1.852 3.729 . 0 0 "[ . 1 . 2]" 1
1289 1 105 ARG HA 1 105 ARG QD 3.900 . 3.900 2.222 1.973 3.104 . 0 0 "[ . 1 . 2]" 1
1290 1 106 VAL HA 1 109 ASN QB 3.780 . 3.780 2.330 2.096 2.692 . 0 0 "[ . 1 . 2]" 1
1291 1 106 VAL HA 1 109 ASN QD 4.670 . 4.670 4.026 2.145 4.903 0.233 20 0 "[ . 1 . 2]" 1
1292 1 109 ASN H 1 109 ASN QB 3.130 . 3.130 2.263 2.216 2.403 . 0 0 "[ . 1 . 2]" 1
1293 1 109 ASN H 1 109 ASN QD 4.580 . 4.580 4.356 3.593 4.530 . 0 0 "[ . 1 . 2]" 1
1294 1 109 ASN HA 1 112 VAL QG 3.630 . 3.630 2.574 1.798 3.272 0.002 14 0 "[ . 1 . 2]" 1
1295 1 109 ASN QB 1 109 ASN QD 3.060 . 3.060 2.218 2.151 2.697 . 0 0 "[ . 1 . 2]" 1
1296 1 111 ALA H 1 112 VAL QG 4.220 . 4.220 4.178 3.734 4.433 0.213 10 0 "[ . 1 . 2]" 1
1297 1 112 VAL H 1 112 VAL QG 3.130 . 3.130 2.275 1.910 2.462 . 0 0 "[ . 1 . 2]" 1
1298 1 112 VAL HA 1 112 VAL QG 2.980 . 2.980 2.184 2.121 2.328 . 0 0 "[ . 1 . 2]" 1
1299 1 112 VAL HA 1 127 VAL QG 3.970 . 3.970 2.273 1.798 3.328 0.002 9 0 "[ . 1 . 2]" 1
1300 1 112 VAL QG 1 115 ALA MB 3.270 . 3.270 3.126 2.769 3.436 0.166 14 0 "[ . 1 . 2]" 1
1301 1 112 VAL QG 1 124 TYR H 5.440 . 5.440 4.589 4.357 5.097 . 0 0 "[ . 1 . 2]" 1
1302 1 112 VAL QG 1 124 TYR HA 3.770 . 3.770 2.780 2.215 3.233 . 0 0 "[ . 1 . 2]" 1
1303 1 112 VAL QG 1 124 TYR HB2 3.870 . 3.870 1.899 1.790 2.770 0.010 16 0 "[ . 1 . 2]" 1
1304 1 112 VAL QG 1 124 TYR HB3 3.760 . 3.760 3.245 2.671 3.953 0.193 14 0 "[ . 1 . 2]" 1
1305 1 112 VAL QG 1 124 TYR HE2 4.110 . 4.110 4.060 3.589 4.328 0.218 14 0 "[ . 1 . 2]" 1
1306 1 112 VAL QG 1 124 TYR HD2 3.330 . 3.330 2.366 2.081 2.858 . 0 0 "[ . 1 . 2]" 1
1307 1 112 VAL QG 1 128 ASN H 5.440 . 5.440 3.388 2.721 4.014 . 0 0 "[ . 1 . 2]" 1
1308 1 112 VAL QG 1 128 ASN HA 4.060 . 4.060 3.511 2.534 4.267 0.207 2 0 "[ . 1 . 2]" 1
1309 1 112 VAL QG 1 128 ASN QB 3.780 . 3.780 2.572 1.956 3.938 0.158 16 0 "[ . 1 . 2]" 1
1310 1 112 VAL QG 1 128 ASN QD 4.040 . 4.040 3.290 1.794 4.251 0.211 13 0 "[ . 1 . 2]" 1
1311 1 113 GLU H 1 113 GLU QB 3.360 . 3.360 2.345 2.204 2.618 . 0 0 "[ . 1 . 2]" 1
1312 1 113 GLU H 1 113 GLU QG 4.560 . 4.560 3.173 2.013 4.084 . 0 0 "[ . 1 . 2]" 1
1313 1 113 GLU H 1 114 LEU QD 4.810 . 4.810 4.250 3.560 4.816 0.006 6 0 "[ . 1 . 2]" 1
1314 1 113 GLU HA 1 113 GLU QG 3.730 . 3.730 2.785 2.279 3.078 . 0 0 "[ . 1 . 2]" 1
1315 1 113 GLU HA 1 114 LEU QD 4.580 . 4.580 4.609 4.267 4.813 0.233 4 0 "[ . 1 . 2]" 1
1316 1 113 GLU QB 1 114 LEU QB 4.850 . 4.850 4.336 4.083 4.604 . 0 0 "[ . 1 . 2]" 1
1317 1 113 GLU QB 1 114 LEU HG 3.540 . 3.540 3.457 2.978 3.736 0.196 7 0 "[ . 1 . 2]" 1
1318 1 113 GLU QB 1 114 LEU QD 2.970 . 2.970 2.734 1.905 3.132 0.162 18 0 "[ . 1 . 2]" 1
1319 1 114 LEU H 1 114 LEU QD 3.510 . 3.510 2.468 1.798 3.007 0.002 19 0 "[ . 1 . 2]" 1
1320 1 114 LEU HA 1 114 LEU QD 3.030 . 3.030 2.456 2.039 3.053 0.023 10 0 "[ . 1 . 2]" 1
1321 1 114 LEU QB 1 115 ALA H 4.060 . 4.060 2.547 2.314 2.710 . 0 0 "[ . 1 . 2]" 1
1322 1 114 LEU QD 1 115 ALA H 5.100 . 5.100 3.869 3.562 4.066 . 0 0 "[ . 1 . 2]" 1
1323 1 114 LEU QD 1 118 PHE HE2 5.260 . 5.260 2.675 2.075 3.273 . 0 0 "[ . 1 . 2]" 1
1324 1 115 ALA H 1 127 VAL QG 4.990 . 4.990 3.740 3.311 4.313 . 0 0 "[ . 1 . 2]" 1
1325 1 115 ALA HA 1 127 VAL QG 4.960 . 4.960 4.092 3.693 4.313 . 0 0 "[ . 1 . 2]" 1
1326 1 115 ALA MB 1 127 VAL QG 2.840 . 2.840 1.935 1.824 2.112 . 0 0 "[ . 1 . 2]" 1
1327 1 118 PHE H 1 118 PHE QB 3.360 . 3.360 2.392 2.299 2.502 . 0 0 "[ . 1 . 2]" 1
1328 1 120 GLY H 1 123 GLY QA 4.560 . 4.560 3.131 1.846 4.392 . 0 0 "[ . 1 . 2]" 1
1329 1 121 SER QB 1 122 ASP H 4.010 . 4.010 2.808 2.255 3.379 . 0 0 "[ . 1 . 2]" 1
1330 1 122 ASP H 1 122 ASP QB 3.440 . 3.440 2.493 2.168 2.658 . 0 0 "[ . 1 . 2]" 1
1331 1 122 ASP QB 1 123 GLY H 4.390 . 4.390 3.183 2.465 3.816 . 0 0 "[ . 1 . 2]" 1
1332 1 124 TYR HA 1 127 VAL QG 3.770 . 3.770 2.135 1.798 2.418 0.002 4 0 "[ . 1 . 2]" 1
1333 1 124 TYR HB3 1 127 VAL QG 4.490 . 4.490 4.311 3.950 4.533 0.043 7 0 "[ . 1 . 2]" 1
1334 1 124 TYR HD1 1 125 LYS QB 4.250 . 4.250 3.742 3.421 4.048 . 0 0 "[ . 1 . 2]" 1
1335 1 124 TYR HE1 1 125 LYS QB 4.200 . 4.200 3.435 3.057 3.986 . 0 0 "[ . 1 . 2]" 1
1336 1 125 LYS HA 1 125 LYS QD 4.050 . 4.050 3.268 1.932 4.260 0.210 15 0 "[ . 1 . 2]" 1
1337 1 125 LYS QB 1 126 TYR H 4.260 . 4.260 2.564 2.242 3.629 . 0 0 "[ . 1 . 2]" 1
1338 1 126 TYR QB 1 126 TYR HD1 3.180 . 3.180 2.489 2.339 2.606 . 0 0 "[ . 1 . 2]" 1
1339 1 126 TYR QB 1 127 VAL H 3.810 . 3.810 2.360 2.235 2.648 . 0 0 "[ . 1 . 2]" 1
1340 1 126 TYR QB 1 127 VAL QG 4.630 . 4.630 3.769 3.642 4.069 . 0 0 "[ . 1 . 2]" 1
1341 1 126 TYR HE2 1 130 VAL QG 4.200 . 4.200 3.463 2.497 4.315 0.115 10 0 "[ . 1 . 2]" 1
1342 1 126 TYR HD2 1 127 VAL QG 3.710 . 3.710 3.856 3.638 3.913 0.203 8 0 "[ . 1 . 2]" 1
1343 1 126 TYR HD2 1 130 VAL QG 4.620 . 4.620 3.754 2.948 4.420 . 0 0 "[ . 1 . 2]" 1
1344 1 127 VAL H 1 127 VAL QG 3.030 . 3.030 2.063 1.927 2.173 . 0 0 "[ . 1 . 2]" 1
1345 1 127 VAL HA 1 127 VAL QG 3.050 . 3.050 2.293 2.239 2.347 . 0 0 "[ . 1 . 2]" 1
1346 1 127 VAL HA 1 130 VAL QG 3.740 . 3.740 1.978 1.799 2.386 0.001 6 0 "[ . 1 . 2]" 1
1347 1 127 VAL QG 1 128 ASN H 3.350 . 3.350 2.065 1.845 2.260 . 0 0 "[ . 1 . 2]" 1
1348 1 127 VAL QG 1 128 ASN HA 3.620 . 3.620 3.038 2.945 3.169 . 0 0 "[ . 1 . 2]" 1
1349 1 127 VAL QG 1 128 ASN QB 4.620 . 4.620 3.057 2.811 3.657 . 0 0 "[ . 1 . 2]" 1
1350 1 127 VAL QG 1 129 GLY H 4.310 . 4.310 4.067 3.947 4.181 . 0 0 "[ . 1 . 2]" 1
1351 1 127 VAL QG 1 131 LEU H 4.270 . 4.270 3.844 3.537 4.125 . 0 0 "[ . 1 . 2]" 1
1352 1 128 ASN HA 1 128 ASN QD 3.510 . 3.510 2.682 1.798 3.492 0.002 8 0 "[ . 1 . 2]" 1
1353 1 128 ASN HA 1 130 VAL QG 4.660 . 4.660 4.478 4.317 4.907 0.247 12 0 "[ . 1 . 2]" 1
1354 1 128 ASN QB 1 129 GLY H 3.740 . 3.740 2.549 2.422 2.697 . 0 0 "[ . 1 . 2]" 1
1355 1 128 ASN QD 1 129 GLY H 5.340 . 5.340 4.488 3.217 5.117 . 0 0 "[ . 1 . 2]" 1
1356 1 129 GLY H 1 130 VAL QG 4.620 . 4.620 3.842 3.555 4.300 . 0 0 "[ . 1 . 2]" 1
1357 1 130 VAL H 1 130 VAL QG 3.130 . 3.130 2.060 1.893 2.404 . 0 0 "[ . 1 . 2]" 1
1358 1 130 VAL HA 1 130 VAL QG 3.140 . 3.140 2.273 2.127 2.329 . 0 0 "[ . 1 . 2]" 1
1359 1 130 VAL QG 1 131 LEU H 3.790 . 3.790 2.147 2.024 2.662 . 0 0 "[ . 1 . 2]" 1
1360 1 130 VAL QG 1 131 LEU HG 2.620 . 2.620 2.281 2.074 2.762 0.142 12 0 "[ . 1 . 2]" 1
1361 1 132 ASP H 1 132 ASP QB 2.940 . 2.940 2.243 2.170 2.265 . 0 0 "[ . 1 . 2]" 1
1362 1 132 ASP H 1 133 LYS QG 4.880 . 4.880 4.218 3.739 5.143 0.263 18 0 "[ . 1 . 2]" 1
1363 1 133 LYS H 1 133 LYS QG 3.320 . 3.320 2.176 1.908 3.248 . 0 0 "[ . 1 . 2]" 1
1364 1 133 LYS HA 1 133 LYS QG 3.480 . 3.480 2.742 2.382 3.365 . 0 0 "[ . 1 . 2]" 1
1365 1 133 LYS HA 1 136 VAL QG 3.090 . 3.090 2.625 2.007 3.165 0.075 4 0 "[ . 1 . 2]" 1
1366 1 135 ALA H 1 136 VAL QG 4.260 . 4.260 3.921 3.751 4.081 . 0 0 "[ . 1 . 2]" 1
1367 1 135 ALA H 1 137 LYS QG 4.550 . 4.550 4.500 4.278 4.697 0.147 20 0 "[ . 1 . 2]" 1
1368 1 135 ALA HA 1 137 LYS QG 4.910 . 4.910 4.797 4.459 5.179 0.269 18 0 "[ . 1 . 2]" 1
1369 1 135 ALA MB 1 136 VAL QG 3.630 . 3.630 3.271 2.861 3.821 0.191 13 0 "[ . 1 . 2]" 1
1370 1 136 VAL H 1 136 VAL QG 2.900 . 2.900 2.094 1.968 2.228 . 0 0 "[ . 1 . 2]" 1
1371 1 136 VAL H 1 137 LYS QB 4.800 . 4.800 4.874 4.697 5.046 0.246 9 0 "[ . 1 . 2]" 1
1372 1 136 VAL H 1 137 LYS QG 5.340 . 5.340 3.922 3.580 4.279 . 0 0 "[ . 1 . 2]" 1
1373 1 136 VAL QG 1 137 LYS QB 4.660 . 4.660 3.848 2.761 4.647 . 0 0 "[ . 1 . 2]" 1
1374 1 136 VAL QG 1 140 PRO HA 4.170 . 4.170 3.167 2.631 3.789 . 0 0 "[ . 1 . 2]" 1
1375 1 136 VAL QG 1 140 PRO QB 4.210 . 4.210 3.281 2.108 4.077 . 0 0 "[ . 1 . 2]" 1
1376 1 136 VAL QG 1 143 THR HB 4.830 . 4.830 2.424 2.006 3.309 . 0 0 "[ . 1 . 2]" 1
1377 1 136 VAL QG 1 143 THR HG1 4.620 . 4.620 2.783 1.796 3.767 0.004 11 0 "[ . 1 . 2]" 1
1378 1 136 VAL QG 1 144 GLN HE21 4.500 . 4.500 2.710 1.798 3.934 0.002 5 0 "[ . 1 . 2]" 1
1379 1 137 LYS H 1 137 LYS QB 3.180 . 3.180 2.737 2.592 3.023 . 0 0 "[ . 1 . 2]" 1
1380 1 137 LYS H 1 137 LYS QG 3.760 . 3.760 2.156 2.003 2.358 . 0 0 "[ . 1 . 2]" 1
1381 1 137 LYS HA 1 137 LYS QG 3.630 . 3.630 3.204 2.551 3.505 . 0 0 "[ . 1 . 2]" 1
1382 1 137 LYS QB 1 138 LEU H 4.130 . 4.130 3.327 2.279 3.869 . 0 0 "[ . 1 . 2]" 1
1383 1 137 LYS QG 1 138 LEU H 3.770 . 3.770 2.786 2.115 3.677 . 0 0 "[ . 1 . 2]" 1
1384 1 137 LYS QG 1 138 LEU HG 4.570 . 4.570 3.413 2.057 4.811 0.241 3 0 "[ . 1 . 2]" 1
1385 1 138 LEU H 1 138 LEU QD 3.930 . 3.930 3.057 2.729 3.326 . 0 0 "[ . 1 . 2]" 1
1386 1 139 ARG H 1 140 PRO QD 3.860 . 3.860 2.977 2.206 3.557 . 0 0 "[ . 1 . 2]" 1
1387 1 140 PRO QB 1 141 ALA H 3.930 . 3.930 3.233 2.946 3.539 . 0 0 "[ . 1 . 2]" 1
1388 1 140 PRO QB 1 144 GLN HE21 5.230 . 5.230 4.322 2.906 5.497 0.267 5 0 "[ . 1 . 2]" 1
1389 1 140 PRO QG 1 141 ALA H 3.330 . 3.330 2.483 2.129 2.904 . 0 0 "[ . 1 . 2]" 1
1390 1 140 PRO QD 1 141 ALA H 3.910 . 3.910 2.794 2.644 3.071 . 0 0 "[ . 1 . 2]" 1
1391 1 141 ALA H 1 142 GLU QG 5.340 . 5.340 4.385 3.775 5.573 0.233 12 0 "[ . 1 . 2]" 1
1392 1 141 ALA MB 1 142 GLU QG 4.010 . 4.010 3.173 2.839 4.033 0.023 12 0 "[ . 1 . 2]" 1
1393 1 142 GLU H 1 142 GLU QG 3.360 . 3.360 2.473 1.920 3.529 0.169 12 0 "[ . 1 . 2]" 1
1394 1 142 GLU HA 1 142 GLU QG 3.260 . 3.260 2.755 2.291 3.189 . 0 0 "[ . 1 . 2]" 1
1395 1 142 GLU QG 1 143 THR H 4.780 . 4.780 4.103 3.688 4.668 . 0 0 "[ . 1 . 2]" 1
1396 1 144 GLN H 1 144 GLN QG 3.180 . 3.180 2.410 2.134 3.355 0.175 3 0 "[ . 1 . 2]" 1
1397 1 144 GLN HA 1 144 GLN QG 3.300 . 3.300 2.882 2.234 3.152 . 0 0 "[ . 1 . 2]" 1
1398 1 144 GLN HE21 1 144 GLN QG 3.060 . 3.060 2.192 2.123 2.252 . 0 0 "[ . 1 . 2]" 1
1399 1 144 GLN QG 1 145 ALA H 4.550 . 4.550 4.133 3.770 4.527 . 0 0 "[ . 1 . 2]" 1
1400 1 146 ARG H 1 146 ARG QB 2.930 . 2.930 2.528 2.294 3.004 0.074 7 0 "[ . 1 . 2]" 1
1401 1 146 ARG H 1 146 ARG QG 3.240 . 3.240 2.345 1.845 2.770 . 0 0 "[ . 1 . 2]" 1
1402 1 146 ARG HA 1 146 ARG QG 3.640 . 3.640 2.876 2.327 3.480 . 0 0 "[ . 1 . 2]" 1
1403 1 146 ARG HA 1 146 ARG QD 4.690 . 4.690 3.761 2.094 4.612 . 0 0 "[ . 1 . 2]" 1
1404 1 146 ARG QB 1 146 ARG QG 2.290 . 2.290 2.059 2.000 2.094 . 0 0 "[ . 1 . 2]" 1
1405 1 146 ARG QB 1 147 ARG H 3.600 . 3.600 2.957 2.071 3.796 0.196 5 0 "[ . 1 . 2]" 1
1406 1 147 ARG H 1 147 ARG QB 3.640 . 3.640 2.578 2.141 3.371 . 0 0 "[ . 1 . 2]" 1
1407 1 147 ARG H 1 147 ARG QG 4.120 . 4.120 3.109 1.912 4.197 0.077 11 0 "[ . 1 . 2]" 1
1408 1 148 GLY QA 1 149 ALA H 3.120 . 3.120 2.471 2.143 2.854 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 401
_Distance_constraint_stats_list.Viol_total 65.033
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0081
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 ARG 0.040 0.013 18 0 "[ . 1 . 2]"
1 17 ALA 0.085 0.015 13 0 "[ . 1 . 2]"
1 18 THR 0.070 0.013 18 0 "[ . 1 . 2]"
1 19 GLN 0.020 0.006 2 0 "[ . 1 . 2]"
1 20 GLY 0.038 0.007 17 0 "[ . 1 . 2]"
1 21 LEU 0.122 0.015 13 0 "[ . 1 . 2]"
1 22 TYR 0.030 0.007 16 0 "[ . 1 . 2]"
1 23 GLN 0.020 0.006 2 0 "[ . 1 . 2]"
1 24 TRP 0.139 0.015 17 0 "[ . 1 . 2]"
1 25 LEU 0.038 0.009 2 0 "[ . 1 . 2]"
1 28 ASN 0.100 0.015 17 0 "[ . 1 . 2]"
1 31 PRO 0.002 0.002 13 0 "[ . 1 . 2]"
1 35 ASP 0.002 0.002 13 0 "[ . 1 . 2]"
1 55 ILE 0.036 0.011 1 0 "[ . 1 . 2]"
1 56 LEU 0.210 0.019 5 0 "[ . 1 . 2]"
1 57 HIS 0.033 0.010 17 0 "[ . 1 . 2]"
1 58 GLY 0.217 0.024 2 0 "[ . 1 . 2]"
1 59 VAL 0.036 0.011 1 0 "[ . 1 . 2]"
1 60 ILE 0.210 0.019 5 0 "[ . 1 . 2]"
1 61 ARG 0.033 0.010 17 0 "[ . 1 . 2]"
1 62 GLU 0.250 0.028 8 0 "[ . 1 . 2]"
1 63 HIS 0.357 0.032 14 0 "[ . 1 . 2]"
1 64 ALA 0.037 0.024 17 0 "[ . 1 . 2]"
1 66 LEU 0.033 0.028 8 0 "[ . 1 . 2]"
1 67 ALA 0.357 0.032 14 0 "[ . 1 . 2]"
1 68 GLU 0.037 0.024 17 0 "[ . 1 . 2]"
1 82 SER 0.054 0.018 20 0 "[ . 1 . 2]"
1 83 PRO 0.039 0.010 10 0 "[ . 1 . 2]"
1 84 VAL 0.018 0.007 7 0 "[ . 1 . 2]"
1 85 GLU 0.041 0.009 5 0 "[ . 1 . 2]"
1 86 ARG 0.197 0.023 10 0 "[ . 1 . 2]"
1 87 ALA 0.039 0.010 10 0 "[ . 1 . 2]"
1 88 VAL 0.025 0.007 7 0 "[ . 1 . 2]"
1 89 LEU 0.190 0.021 5 0 "[ . 1 . 2]"
1 90 LEU 0.289 0.023 10 0 "[ . 1 . 2]"
1 91 ILE 0.015 0.006 14 0 "[ . 1 . 2]"
1 92 ALA 0.012 0.006 10 0 "[ . 1 . 2]"
1 93 THR 0.319 0.021 5 0 "[ . 1 . 2]"
1 94 TYR 0.146 0.018 8 0 "[ . 1 . 2]"
1 95 GLU 0.015 0.006 14 0 "[ . 1 . 2]"
1 96 LEU 0.005 0.005 16 0 "[ . 1 . 2]"
1 97 THR 0.169 0.018 7 0 "[ . 1 . 2]"
1 103 PRO 0.350 0.032 7 0 "[ . 1 . 2]"
1 105 ARG 0.124 0.014 15 0 "[ . 1 . 2]"
1 106 VAL 0.031 0.008 18 0 "[ . 1 . 2]"
1 107 ILE 0.436 0.032 7 0 "[ . 1 . 2]"
1 108 ILE 0.026 0.008 3 0 "[ . 1 . 2]"
1 109 ASN 0.337 0.020 13 0 "[ . 1 . 2]"
1 110 GLU 0.031 0.008 18 0 "[ . 1 . 2]"
1 111 ALA 0.091 0.016 12 0 "[ . 1 . 2]"
1 112 VAL 0.026 0.008 3 0 "[ . 1 . 2]"
1 113 GLU 0.212 0.020 13 0 "[ . 1 . 2]"
1 115 ALA 0.005 0.003 1 0 "[ . 1 . 2]"
1 125 LYS 0.090 0.017 4 0 "[ . 1 . 2]"
1 129 GLY 0.090 0.017 4 0 "[ . 1 . 2]"
1 132 ASP 0.097 0.011 20 0 "[ . 1 . 2]"
1 134 LEU 0.163 0.025 13 0 "[ . 1 . 2]"
1 136 VAL 0.097 0.011 20 0 "[ . 1 . 2]"
1 138 LEU 0.163 0.025 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 ARG O 1 18 THR H 2.000 . 2.000 1.931 1.808 2.013 0.013 18 0 "[ . 1 . 2]" 2
2 1 14 ARG O 1 18 THR N 3.000 2.700 3.000 2.865 2.743 2.965 . 0 0 "[ . 1 . 2]" 2
3 1 17 ALA O 1 21 LEU H 2.000 . 2.000 1.986 1.918 2.015 0.015 13 0 "[ . 1 . 2]" 2
4 1 17 ALA O 1 21 LEU N 3.000 2.700 3.000 2.953 2.859 2.996 . 0 0 "[ . 1 . 2]" 2
5 1 18 THR O 1 22 TYR H 2.000 . 2.000 1.977 1.895 2.007 0.007 16 0 "[ . 1 . 2]" 2
6 1 18 THR O 1 22 TYR N 3.000 2.700 3.000 2.866 2.714 2.981 . 0 0 "[ . 1 . 2]" 2
7 1 19 GLN O 1 23 GLN H 2.000 . 2.000 1.960 1.899 2.006 0.006 2 0 "[ . 1 . 2]" 2
8 1 19 GLN O 1 23 GLN N 3.000 2.700 3.000 2.918 2.856 2.979 . 0 0 "[ . 1 . 2]" 2
9 1 20 GLY O 1 24 TRP H 2.000 . 2.000 1.986 1.873 2.007 0.007 17 0 "[ . 1 . 2]" 2
10 1 20 GLY O 1 24 TRP N 3.000 2.700 3.000 2.887 2.784 2.967 . 0 0 "[ . 1 . 2]" 2
11 1 21 LEU O 1 25 LEU H 2.000 . 2.000 1.962 1.880 2.009 0.009 2 0 "[ . 1 . 2]" 2
12 1 21 LEU O 1 25 LEU N 3.000 2.700 3.000 2.898 2.774 2.983 . 0 0 "[ . 1 . 2]" 2
13 1 24 TRP O 1 28 ASN H 2.000 . 2.000 1.995 1.928 2.015 0.015 17 0 "[ . 1 . 2]" 2
14 1 24 TRP O 1 28 ASN N 3.000 2.700 3.000 2.720 2.690 2.762 0.010 17 0 "[ . 1 . 2]" 2
15 1 31 PRO O 1 35 ASP H 2.000 . 2.000 1.862 1.798 1.983 0.002 13 0 "[ . 1 . 2]" 2
16 1 31 PRO O 1 35 ASP N 3.000 2.700 3.000 2.762 2.700 2.890 . 12 0 "[ . 1 . 2]" 2
17 1 55 ILE O 1 59 VAL H 2.000 . 2.000 1.911 1.837 2.008 0.008 15 0 "[ . 1 . 2]" 2
18 1 55 ILE O 1 59 VAL N 3.000 2.700 3.000 2.788 2.689 2.957 0.011 1 0 "[ . 1 . 2]" 2
19 1 56 LEU O 1 60 ILE H 2.000 . 2.000 2.010 1.992 2.019 0.019 5 0 "[ . 1 . 2]" 2
20 1 56 LEU O 1 60 ILE N 3.000 2.700 3.000 2.952 2.924 2.990 . 0 0 "[ . 1 . 2]" 2
21 1 57 HIS O 1 61 ARG H 2.000 . 2.000 1.940 1.797 2.010 0.010 17 0 "[ . 1 . 2]" 2
22 1 57 HIS O 1 61 ARG N 3.000 2.700 3.000 2.870 2.704 2.975 . 0 0 "[ . 1 . 2]" 2
23 1 58 GLY O 1 62 GLU H 2.000 . 2.000 1.940 1.802 2.018 0.018 2 0 "[ . 1 . 2]" 2
24 1 58 GLY O 1 62 GLU N 3.000 2.700 3.000 2.701 2.676 2.778 0.024 2 0 "[ . 1 . 2]" 2
25 1 62 GLU O 1 66 LEU H 2.000 . 2.000 1.871 1.799 1.998 0.001 19 0 "[ . 1 . 2]" 2
26 1 62 GLU O 1 66 LEU N 3.000 2.700 3.000 2.767 2.672 2.924 0.028 8 0 "[ . 1 . 2]" 2
27 1 63 HIS O 1 67 ALA H 2.000 . 2.000 2.018 2.006 2.032 0.032 14 0 "[ . 1 . 2]" 2
28 1 63 HIS O 1 67 ALA N 3.000 2.700 3.000 2.976 2.936 2.998 . 0 0 "[ . 1 . 2]" 2
29 1 64 ALA O 1 68 GLU H 2.000 . 2.000 1.937 1.810 2.024 0.024 17 0 "[ . 1 . 2]" 2
30 1 64 ALA O 1 68 GLU N 3.000 2.700 3.000 2.840 2.707 2.970 . 0 0 "[ . 1 . 2]" 2
31 1 82 SER O 1 86 ARG H 2.000 . 2.000 1.922 1.818 2.018 0.018 20 0 "[ . 1 . 2]" 2
32 1 82 SER O 1 86 ARG N 3.000 2.700 3.000 2.871 2.688 2.996 0.012 10 0 "[ . 1 . 2]" 2
33 1 83 PRO O 1 87 ALA H 2.000 . 2.000 1.986 1.897 2.010 0.010 10 0 "[ . 1 . 2]" 2
34 1 83 PRO O 1 87 ALA N 3.000 2.700 3.000 2.916 2.774 2.997 . 0 0 "[ . 1 . 2]" 2
35 1 84 VAL O 1 88 VAL H 2.000 . 2.000 1.945 1.846 2.007 0.007 7 0 "[ . 1 . 2]" 2
36 1 84 VAL O 1 88 VAL N 3.000 2.700 3.000 2.898 2.763 2.978 . 0 0 "[ . 1 . 2]" 2
37 1 85 GLU O 1 89 LEU H 2.000 . 2.000 1.955 1.799 2.009 0.009 5 0 "[ . 1 . 2]" 2
38 1 85 GLU O 1 89 LEU N 3.000 2.700 3.000 2.893 2.747 2.989 . 0 0 "[ . 1 . 2]" 2
39 1 86 ARG O 1 90 LEU H 2.000 . 2.000 1.996 1.839 2.023 0.023 10 0 "[ . 1 . 2]" 2
40 1 86 ARG O 1 90 LEU N 3.000 2.700 3.000 2.957 2.792 3.001 0.001 11 0 "[ . 1 . 2]" 2
41 1 88 VAL O 1 92 ALA H 2.000 . 2.000 1.863 1.794 1.957 0.006 10 0 "[ . 1 . 2]" 2
42 1 88 VAL O 1 92 ALA N 3.000 2.700 3.000 2.775 2.699 2.856 0.001 4 0 "[ . 1 . 2]" 2
43 1 89 LEU O 1 93 THR H 2.000 . 2.000 1.995 1.900 2.021 0.021 5 0 "[ . 1 . 2]" 2
44 1 89 LEU O 1 93 THR N 3.000 2.700 3.000 2.921 2.742 2.981 . 0 0 "[ . 1 . 2]" 2
45 1 90 LEU O 1 94 TYR H 2.000 . 2.000 2.002 1.947 2.018 0.018 8 0 "[ . 1 . 2]" 2
46 1 90 LEU O 1 94 TYR N 3.000 2.700 3.000 2.967 2.897 3.000 . 0 0 "[ . 1 . 2]" 2
47 1 91 ILE O 1 95 GLU H 2.000 . 2.000 1.907 1.796 2.006 0.006 14 0 "[ . 1 . 2]" 2
48 1 91 ILE O 1 95 GLU N 3.000 2.700 3.000 2.858 2.753 2.991 . 0 0 "[ . 1 . 2]" 2
49 1 92 ALA O 1 96 LEU H 2.000 . 2.000 1.871 1.803 2.005 0.005 16 0 "[ . 1 . 2]" 2
50 1 92 ALA O 1 96 LEU N 3.000 2.700 3.000 2.809 2.704 2.940 . 0 0 "[ . 1 . 2]" 2
51 1 93 THR O 1 97 THR H 2.000 . 2.000 2.005 1.952 2.018 0.018 7 0 "[ . 1 . 2]" 2
52 1 93 THR O 1 97 THR N 3.000 2.700 3.000 2.926 2.846 2.979 . 0 0 "[ . 1 . 2]" 2
53 1 103 PRO O 1 107 ILE H 2.500 . 2.500 2.517 2.511 2.532 0.032 7 0 "[ . 1 . 2]" 2
54 1 103 PRO O 1 107 ILE N 3.500 . 3.500 3.482 3.456 3.502 0.002 7 0 "[ . 1 . 2]" 2
55 1 105 ARG O 1 109 ASN H 2.000 . 2.000 1.999 1.908 2.014 0.014 15 0 "[ . 1 . 2]" 2
56 1 105 ARG O 1 109 ASN N 3.000 2.700 3.000 2.914 2.812 2.991 . 0 0 "[ . 1 . 2]" 2
57 1 106 VAL O 1 110 GLU H 2.000 . 2.000 1.961 1.844 2.008 0.008 18 0 "[ . 1 . 2]" 2
58 1 106 VAL O 1 110 GLU N 3.000 2.700 3.000 2.902 2.818 2.977 . 0 0 "[ . 1 . 2]" 2
59 1 107 ILE O 1 111 ALA H 2.000 . 2.000 1.993 1.873 2.016 0.016 12 0 "[ . 1 . 2]" 2
60 1 107 ILE O 1 111 ALA N 3.000 2.700 3.000 2.949 2.799 2.987 . 0 0 "[ . 1 . 2]" 2
61 1 108 ILE O 1 112 VAL H 2.000 . 2.000 1.847 1.795 1.938 0.005 1 0 "[ . 1 . 2]" 2
62 1 108 ILE O 1 112 VAL N 3.000 2.700 3.000 2.750 2.692 2.878 0.008 3 0 "[ . 1 . 2]" 2
63 1 109 ASN O 1 113 GLU H 2.000 . 2.000 2.010 1.997 2.020 0.020 13 0 "[ . 1 . 2]" 2
64 1 109 ASN O 1 113 GLU N 3.000 2.700 3.000 2.927 2.856 2.975 . 0 0 "[ . 1 . 2]" 2
65 1 111 ALA O 1 115 ALA H 2.000 . 2.000 1.925 1.840 2.003 0.003 1 0 "[ . 1 . 2]" 2
66 1 111 ALA O 1 115 ALA N 3.000 2.700 3.000 2.861 2.753 2.949 . 0 0 "[ . 1 . 2]" 2
67 1 125 LYS O 1 129 GLY H 2.000 . 2.000 1.990 1.934 2.017 0.017 4 0 "[ . 1 . 2]" 2
68 1 125 LYS O 1 129 GLY N 3.000 2.700 3.000 2.899 2.797 2.968 . 0 0 "[ . 1 . 2]" 2
69 1 132 ASP O 1 136 VAL H 2.000 . 2.000 1.983 1.840 2.011 0.011 20 0 "[ . 1 . 2]" 2
70 1 132 ASP O 1 136 VAL N 3.000 2.700 3.000 2.856 2.746 2.959 . 0 0 "[ . 1 . 2]" 2
71 1 134 LEU O 1 138 LEU H 2.000 . 2.000 2.000 1.894 2.025 0.025 13 0 "[ . 1 . 2]" 2
72 1 134 LEU O 1 138 LEU N 3.000 2.700 3.000 2.904 2.722 3.001 0.001 16 0 "[ . 1 . 2]" 2
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