NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593104 |
2ruj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ruj
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 862
_Distance_constraint_stats_list.Viol_count 926
_Distance_constraint_stats_list.Viol_total 1297.801
_Distance_constraint_stats_list.Viol_max 0.494
_Distance_constraint_stats_list.Viol_rms 0.0593
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0151
_Distance_constraint_stats_list.Viol_average_violations_only 0.1402
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 LYS 0.144 0.109 10 0 "[ . 1]"
1 16 SER 0.067 0.050 9 0 "[ . 1]"
1 17 ALA 0.003 0.003 9 0 "[ . 1]"
1 18 LEU 0.064 0.050 9 0 "[ . 1]"
1 19 ARG 1.560 0.170 5 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 LEU 0.027 0.027 6 0 "[ . 1]"
1 22 LEU 3.827 0.369 4 0 "[ . 1]"
1 23 GLU 0.295 0.104 8 0 "[ . 1]"
1 25 LYS 0.000 0.000 . 0 "[ . 1]"
1 26 GLU 0.219 0.139 3 0 "[ . 1]"
1 27 ASN 0.219 0.139 3 0 "[ . 1]"
1 28 SER 0.000 0.000 . 0 "[ . 1]"
1 29 SER 0.000 0.000 . 0 "[ . 1]"
1 30 GLN 0.000 0.000 . 0 "[ . 1]"
1 31 ASN 0.233 0.114 7 0 "[ . 1]"
1 32 GLY 0.530 0.125 1 0 "[ . 1]"
1 33 PRO 0.076 0.068 5 0 "[ . 1]"
1 34 LEU 5.000 0.337 5 0 "[ . 1]"
1 35 ALA 0.149 0.092 4 0 "[ . 1]"
1 36 GLU 0.384 0.133 4 0 "[ . 1]"
1 37 ASN 0.990 0.187 4 0 "[ . 1]"
1 38 PHE 1.921 0.181 10 0 "[ . 1]"
1 39 ALA 1.205 0.187 4 0 "[ . 1]"
1 41 PHE 5.604 0.432 8 0 "[ . 1]"
1 43 GLY 0.127 0.096 7 0 "[ . 1]"
1 44 HIS 0.542 0.147 9 0 "[ . 1]"
1 45 ALA 0.000 0.000 . 0 "[ . 1]"
1 46 GLU 0.000 0.000 . 0 "[ . 1]"
1 48 ASN 0.000 0.000 . 0 "[ . 1]"
1 49 ALA 1.631 0.147 9 0 "[ . 1]"
1 50 LEU 5.783 0.441 5 0 "[ . 1]"
1 52 LEU 4.577 0.375 1 0 "[ . 1]"
1 53 ASN 1.406 0.131 3 0 "[ . 1]"
1 54 ILE 8.649 0.476 2 0 "[ . 1]"
1 55 TYR 0.573 0.074 2 0 "[ . 1]"
1 56 PHE 0.892 0.134 6 0 "[ . 1]"
1 57 PRO 0.009 0.009 4 0 "[ . 1]"
1 58 SER 0.228 0.143 4 0 "[ . 1]"
1 59 SER 0.219 0.143 4 0 "[ . 1]"
1 60 GLU 0.000 0.000 . 0 "[ . 1]"
1 62 PRO 0.127 0.080 5 0 "[ . 1]"
1 63 SER 0.127 0.080 5 0 "[ . 1]"
1 64 LYS 0.000 0.000 . 0 "[ . 1]"
1 65 PRO 0.314 0.071 5 0 "[ . 1]"
1 66 LEU 10.705 0.476 2 0 "[ . 1]"
1 67 PHE 0.397 0.154 9 0 "[ . 1]"
1 68 VAL 0.448 0.154 9 0 "[ . 1]"
1 69 GLU 0.218 0.129 9 0 "[ . 1]"
1 70 LEU 0.000 0.000 . 0 "[ . 1]"
1 71 ARG 7.346 0.372 2 0 "[ . 1]"
1 73 ASN 1.258 0.253 5 0 "[ . 1]"
1 74 VAL 11.203 0.432 8 0 "[ . 1]"
1 75 LEU 1.055 0.141 3 0 "[ . 1]"
1 76 VAL 4.408 0.361 5 0 "[ . 1]"
1 77 SER 2.797 0.364 5 0 "[ . 1]"
1 78 GLU 0.460 0.141 1 0 "[ . 1]"
1 79 ALA 3.053 0.270 4 0 "[ . 1]"
1 80 ILE 2.863 0.349 2 0 "[ . 1]"
1 81 GLY 0.075 0.040 6 0 "[ . 1]"
1 82 TYR 3.890 0.221 4 0 "[ . 1]"
1 83 ILE 1.406 0.167 4 0 "[ . 1]"
1 84 LEU 3.775 0.348 7 0 "[ . 1]"
1 85 LEU 1.800 0.395 6 0 "[ . 1]"
1 86 GLN 0.536 0.150 3 0 "[ . 1]"
1 87 TYR 0.651 0.107 7 0 "[ . 1]"
1 88 VAL 0.384 0.251 4 0 "[ . 1]"
1 89 ASN 0.447 0.107 7 0 "[ . 1]"
1 90 GLN 0.000 0.000 . 0 "[ . 1]"
1 91 GLN 0.000 0.000 . 0 "[ . 1]"
1 93 VAL 0.314 0.117 10 0 "[ . 1]"
1 95 PRO 0.000 0.000 . 0 "[ . 1]"
1 96 ILE 0.813 0.134 6 0 "[ . 1]"
1 97 GLU 0.989 0.160 6 0 "[ . 1]"
1 98 ASP 1.978 0.157 3 0 "[ . 1]"
1 99 GLU 0.801 0.160 6 0 "[ . 1]"
1 100 ALA 2.310 0.257 2 0 "[ . 1]"
1 101 GLN 2.876 0.205 10 0 "[ . 1]"
1 104 ASN 0.241 0.067 5 0 "[ . 1]"
1 105 TYR 2.042 0.257 2 0 "[ . 1]"
1 106 TRP 5.644 0.485 2 0 "[ . 1]"
1 107 ASN 6.733 0.476 5 0 "[ . 1]"
1 108 LEU 3.842 0.342 4 0 "[ . 1]"
1 109 ARG 7.785 0.426 6 0 "[ . 1]"
1 110 ILE 0.572 0.196 1 0 "[ . 1]"
1 111 VAL 0.981 0.112 7 0 "[ . 1]"
1 112 GLU 1.340 0.232 9 0 "[ . 1]"
1 113 ASP 0.510 0.232 9 0 "[ . 1]"
1 114 ASP 0.658 0.143 10 0 "[ . 1]"
1 115 GLY 0.205 0.050 3 0 "[ . 1]"
1 116 GLU 1.591 0.252 10 0 "[ . 1]"
1 117 LEU 0.712 0.088 3 0 "[ . 1]"
1 118 ASP 0.505 0.196 1 0 "[ . 1]"
1 119 GLU 0.000 0.000 . 0 "[ . 1]"
1 120 ASP 0.000 0.000 . 0 "[ . 1]"
1 121 PHE 0.000 0.000 . 0 "[ . 1]"
1 122 PRO 2.308 0.286 5 0 "[ . 1]"
1 123 ALA 0.188 0.057 7 0 "[ . 1]"
1 124 LEU 5.409 0.361 5 0 "[ . 1]"
1 125 ASP 3.245 0.313 4 0 "[ . 1]"
1 126 ARG 0.254 0.066 7 0 "[ . 1]"
1 127 VAL 2.361 0.351 4 0 "[ . 1]"
1 128 GLY 5.610 0.364 5 0 "[ . 1]"
1 129 PRO 2.135 0.494 6 0 "[ . 1]"
1 130 LEU 7.699 0.494 6 0 "[ . 1]"
1 132 LYS 3.270 0.479 7 0 "[ . 1]"
1 133 PHE 0.000 0.000 . 0 "[ . 1]"
1 134 GLY 0.123 0.033 4 0 "[ . 1]"
1 135 PHE 0.144 0.033 4 0 "[ . 1]"
1 136 ASP 1.047 0.212 3 0 "[ . 1]"
1 137 ALA 2.025 0.211 2 0 "[ . 1]"
1 138 PHE 3.230 0.275 8 0 "[ . 1]"
1 139 ALA 0.112 0.050 8 0 "[ . 1]"
1 140 LEU 8.602 0.485 2 0 "[ . 1]"
1 141 VAL 12.647 0.476 5 0 "[ . 1]"
1 142 LYS 0.524 0.150 6 0 "[ . 1]"
1 143 ALA 1.044 0.157 2 0 "[ . 1]"
1 145 PRO 0.000 0.000 . 0 "[ . 1]"
1 146 ALA 0.038 0.038 8 0 "[ . 1]"
1 147 GLN 0.729 0.122 3 0 "[ . 1]"
1 148 ILE 1.021 0.202 2 0 "[ . 1]"
1 149 LYS 0.000 0.000 . 0 "[ . 1]"
1 150 GLU 0.669 0.122 3 0 "[ . 1]"
1 151 ASN 0.074 0.039 1 0 "[ . 1]"
1 152 GLN 0.794 0.441 5 0 "[ . 1]"
1 153 ALA 0.794 0.441 5 0 "[ . 1]"
1 155 TYR 0.000 0.000 . 0 "[ . 1]"
1 156 PRO 0.000 0.000 . 0 "[ . 1]"
1 157 PHE 0.000 0.000 . 0 "[ . 1]"
1 158 LYS 0.000 0.000 . 0 "[ . 1]"
1 159 SER 0.000 0.000 . 0 "[ . 1]"
1 160 LYS 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 LYS H 1 12 LYS QD 4.250 . 4.250 3.943 3.720 4.359 0.109 10 0 "[ . 1]" 1
2 1 16 SER HA 1 17 ALA MB 4.950 . 4.950 4.101 3.837 4.953 0.003 9 0 "[ . 1]" 1
3 1 16 SER HA 1 18 LEU H 4.220 . 4.220 3.702 3.260 3.985 . 0 0 "[ . 1]" 1
4 1 16 SER QB 1 18 LEU H 4.560 . 4.560 3.711 2.318 4.610 0.050 9 0 "[ . 1]" 1
5 1 17 ALA MB 1 18 LEU H 4.300 . 4.300 3.144 2.527 3.726 . 0 0 "[ . 1]" 1
6 1 18 LEU H 1 18 LEU QB 3.430 . 3.430 2.354 2.243 2.449 . 0 0 "[ . 1]" 1
7 1 18 LEU QB 1 18 LEU QD 2.590 . 2.590 1.945 1.916 2.016 . 0 0 "[ . 1]" 1
8 1 19 ARG HA 1 19 ARG QD 3.760 . 3.760 3.916 3.886 3.930 0.170 5 0 "[ . 1]" 1
9 1 19 ARG QB 1 19 ARG QD 3.290 . 3.290 2.130 2.104 2.258 . 0 0 "[ . 1]" 1
10 1 20 ALA H 1 20 ALA MB 3.650 . 3.650 2.613 2.227 2.972 . 0 0 "[ . 1]" 1
11 1 21 LEU H 1 21 LEU QD 4.940 . 4.940 2.819 1.838 3.838 . 0 0 "[ . 1]" 1
12 1 21 LEU HA 1 22 LEU H 3.510 . 3.510 2.315 2.143 3.537 0.027 6 0 "[ . 1]" 1
13 1 21 LEU QB 1 22 LEU H 4.070 . 4.070 3.310 2.612 3.786 . 0 0 "[ . 1]" 1
14 1 21 LEU QD 1 22 LEU H 4.800 . 4.800 3.117 1.943 4.073 . 0 0 "[ . 1]" 1
15 1 22 LEU H 1 22 LEU QD 5.090 . 5.090 2.958 2.015 3.826 . 0 0 "[ . 1]" 1
16 1 22 LEU HA 1 22 LEU QD 3.320 . 3.320 2.229 2.091 2.586 . 0 0 "[ . 1]" 1
17 1 22 LEU HA 1 22 LEU HG 3.850 . 3.850 2.838 2.330 3.141 . 0 0 "[ . 1]" 1
18 1 22 LEU HA 1 23 GLU H 3.420 . 3.420 2.595 2.150 3.524 0.104 8 0 "[ . 1]" 1
19 1 22 LEU QB 1 22 LEU QD 1.550 . 1.550 1.901 1.887 1.919 0.369 4 0 "[ . 1]" 1
20 1 22 LEU QB 1 23 GLU H 4.060 . 4.060 2.942 2.526 3.839 . 0 0 "[ . 1]" 1
21 1 22 LEU HB2 1 22 LEU MD1 3.520 . 3.520 2.276 2.218 2.357 . 0 0 "[ . 1]" 1
22 1 22 LEU HB2 1 22 LEU MD2 3.520 . 3.520 2.960 2.358 3.210 . 0 0 "[ . 1]" 1
23 1 22 LEU HB3 1 22 LEU MD1 3.520 . 3.520 2.642 2.296 3.209 . 0 0 "[ . 1]" 1
24 1 22 LEU HB3 1 22 LEU MD2 3.520 . 3.520 2.247 2.203 2.286 . 0 0 "[ . 1]" 1
25 1 23 GLU H 1 23 GLU QB 3.720 . 3.720 2.458 2.259 3.085 . 0 0 "[ . 1]" 1
26 1 23 GLU H 1 23 GLU QG 4.580 . 4.580 2.931 2.335 4.415 . 0 0 "[ . 1]" 1
27 1 25 LYS HA 1 25 LYS QB 2.500 . 2.500 2.398 2.364 2.452 . 0 0 "[ . 1]" 1
28 1 26 GLU QG 1 27 ASN H 3.710 . 3.710 3.277 2.266 3.849 0.139 3 0 "[ . 1]" 1
29 1 28 SER HB2 1 29 SER H 4.510 . 4.510 3.625 2.413 4.155 . 0 0 "[ . 1]" 1
30 1 28 SER HB3 1 29 SER H 4.510 . 4.510 3.776 2.813 4.037 . 0 0 "[ . 1]" 1
31 1 29 SER HA 1 29 SER QB 2.620 . 2.620 2.301 2.187 2.447 . 0 0 "[ . 1]" 1
32 1 30 GLN HA 1 30 GLN QG 3.670 . 3.670 2.386 2.280 2.934 . 0 0 "[ . 1]" 1
33 1 31 ASN HA 1 32 GLY H 3.260 . 3.260 2.367 2.150 2.616 . 0 0 "[ . 1]" 1
34 1 31 ASN HA 1 35 ALA MB 3.970 . 3.970 3.237 2.553 3.955 . 0 0 "[ . 1]" 1
35 1 31 ASN QB 1 32 GLY H 3.760 . 3.760 2.752 2.008 3.874 0.114 7 0 "[ . 1]" 1
36 1 31 ASN QB 1 35 ALA MB 3.720 . 3.720 2.683 2.179 3.812 0.092 4 0 "[ . 1]" 1
37 1 31 ASN HB2 1 32 GLY H 4.380 . 4.380 3.206 2.021 4.407 0.027 7 0 "[ . 1]" 1
38 1 31 ASN HB2 1 35 ALA MB 4.490 . 4.490 3.223 2.199 4.216 . 0 0 "[ . 1]" 1
39 1 31 ASN HB3 1 32 GLY H 4.380 . 4.380 3.580 2.760 4.295 . 0 0 "[ . 1]" 1
40 1 31 ASN HB3 1 35 ALA MB 4.490 . 4.490 3.489 2.263 4.453 . 0 0 "[ . 1]" 1
41 1 32 GLY H 1 34 LEU H 5.370 . 5.370 5.352 5.124 5.495 0.125 1 0 "[ . 1]" 1
42 1 32 GLY H 1 35 ALA MB 4.450 . 4.450 1.859 1.608 2.269 . 0 0 "[ . 1]" 1
43 1 33 PRO QB 1 35 ALA H 5.020 . 5.020 4.518 4.193 4.703 . 0 0 "[ . 1]" 1
44 1 33 PRO QG 1 34 LEU H 3.620 . 3.620 2.805 1.955 3.688 0.068 5 0 "[ . 1]" 1
45 1 34 LEU H 1 34 LEU QB 3.680 . 3.680 2.372 2.231 2.550 . 0 0 "[ . 1]" 1
46 1 34 LEU H 1 34 LEU QD 3.990 . 3.990 2.817 1.770 3.244 . 0 0 "[ . 1]" 1
47 1 34 LEU H 1 35 ALA H 3.630 . 3.630 2.337 2.218 2.484 . 0 0 "[ . 1]" 1
48 1 34 LEU H 1 35 ALA MB 4.140 . 4.140 3.922 3.737 4.031 . 0 0 "[ . 1]" 1
49 1 34 LEU HA 1 34 LEU QD 3.360 . 3.360 2.311 2.118 3.027 . 0 0 "[ . 1]" 1
50 1 34 LEU HA 1 38 PHE QD 4.400 . 4.400 4.387 4.167 4.489 0.089 7 0 "[ . 1]" 1
51 1 34 LEU QB 1 34 LEU QD 1.570 . 1.570 1.899 1.890 1.907 0.337 5 0 "[ . 1]" 1
52 1 34 LEU QB 1 35 ALA H 3.500 . 3.500 2.919 2.535 3.150 . 0 0 "[ . 1]" 1
53 1 34 LEU QB 1 38 PHE HB2 4.560 . 4.560 4.322 3.396 4.711 0.151 2 0 "[ . 1]" 1
54 1 34 LEU HB2 1 34 LEU MD1 3.520 . 3.520 2.263 2.234 2.341 . 0 0 "[ . 1]" 1
55 1 34 LEU HB2 1 34 LEU MD2 3.520 . 3.520 2.984 2.369 3.209 . 0 0 "[ . 1]" 1
56 1 34 LEU HB3 1 34 LEU MD1 3.520 . 3.520 2.640 2.326 3.196 . 0 0 "[ . 1]" 1
57 1 34 LEU HB3 1 34 LEU MD2 3.520 . 3.520 2.241 2.198 2.306 . 0 0 "[ . 1]" 1
58 1 34 LEU QD 1 35 ALA H 4.560 . 4.560 4.060 3.761 4.309 . 0 0 "[ . 1]" 1
59 1 34 LEU QD 1 36 GLU H 5.190 . 5.190 5.165 4.870 5.323 0.133 4 0 "[ . 1]" 1
60 1 35 ALA H 1 35 ALA MB 3.130 . 3.130 2.096 1.993 2.236 . 0 0 "[ . 1]" 1
61 1 35 ALA H 1 37 ASN H 4.790 . 4.790 4.269 3.872 4.710 . 0 0 "[ . 1]" 1
62 1 35 ALA H 1 85 LEU QD 4.620 . 4.620 3.457 2.867 4.098 . 0 0 "[ . 1]" 1
63 1 35 ALA HA 1 39 ALA H 3.420 . 3.420 2.364 2.146 2.878 . 0 0 "[ . 1]" 1
64 1 35 ALA HA 1 85 LEU QD 3.010 . 3.010 2.544 2.064 3.068 0.058 4 0 "[ . 1]" 1
65 1 35 ALA MB 1 36 GLU H 3.500 . 3.500 2.760 2.483 3.026 . 0 0 "[ . 1]" 1
66 1 36 GLU H 1 36 GLU QB 3.210 . 3.210 2.338 2.233 2.479 . 0 0 "[ . 1]" 1
67 1 36 GLU H 1 36 GLU QG 4.130 . 4.130 2.912 2.040 4.053 . 0 0 "[ . 1]" 1
68 1 36 GLU H 1 37 ASN H 3.770 . 3.770 2.680 2.519 2.841 . 0 0 "[ . 1]" 1
69 1 37 ASN H 1 39 ALA H 4.230 . 4.230 4.323 4.171 4.417 0.187 4 0 "[ . 1]" 1
70 1 38 PHE HA 1 38 PHE QD 3.370 . 3.370 2.922 2.715 3.042 . 0 0 "[ . 1]" 1
71 1 38 PHE HB2 1 39 ALA H 4.000 . 4.000 2.346 2.273 2.493 . 0 0 "[ . 1]" 1
72 1 38 PHE HB2 1 39 ALA MB 4.380 . 4.380 3.843 3.633 4.033 . 0 0 "[ . 1]" 1
73 1 38 PHE HB2 1 82 TYR HA 4.400 . 4.400 4.263 3.852 4.581 0.181 10 0 "[ . 1]" 1
74 1 38 PHE HB2 1 85 LEU QD 3.800 . 3.800 2.202 2.019 2.548 . 0 0 "[ . 1]" 1
75 1 38 PHE HB3 1 39 ALA H 4.490 . 4.490 3.206 3.076 3.363 . 0 0 "[ . 1]" 1
76 1 38 PHE HB3 1 39 ALA MB 4.500 . 4.500 4.423 4.085 4.624 0.124 10 0 "[ . 1]" 1
77 1 38 PHE HB3 1 85 LEU QD 4.100 . 4.100 3.052 2.683 3.510 . 0 0 "[ . 1]" 1
78 1 38 PHE QD 1 82 TYR H 4.850 . 4.850 4.795 4.380 4.957 0.107 5 0 "[ . 1]" 1
79 1 39 ALA H 1 39 ALA MB 3.200 . 3.200 2.182 2.114 2.246 . 0 0 "[ . 1]" 1
80 1 39 ALA H 1 85 LEU QD 5.100 . 5.100 2.843 2.338 3.615 . 0 0 "[ . 1]" 1
81 1 39 ALA MB 1 41 PHE H 4.940 . 4.940 4.205 4.006 4.484 . 0 0 "[ . 1]" 1
82 1 39 ALA MB 1 82 TYR QD 5.460 . 5.460 3.726 2.507 4.631 . 0 0 "[ . 1]" 1
83 1 41 PHE H 1 41 PHE HB2 4.010 . 4.010 3.108 2.295 3.682 . 0 0 "[ . 1]" 1
84 1 41 PHE H 1 41 PHE QB 3.510 . 3.510 2.721 2.269 2.954 . 0 0 "[ . 1]" 1
85 1 41 PHE H 1 41 PHE HB3 4.010 . 4.010 3.360 2.999 3.700 . 0 0 "[ . 1]" 1
86 1 41 PHE HA 1 71 ARG QB 4.500 . 4.500 3.637 2.848 4.414 . 0 0 "[ . 1]" 1
87 1 41 PHE HA 1 71 ARG QD 3.900 . 3.900 2.692 2.302 3.526 . 0 0 "[ . 1]" 1
88 1 41 PHE HA 1 71 ARG QG 3.530 . 3.530 3.407 3.079 3.667 0.137 8 0 "[ . 1]" 1
89 1 41 PHE QB 1 71 ARG H 4.730 . 4.730 3.313 2.306 4.086 . 0 0 "[ . 1]" 1
90 1 41 PHE QB 1 71 ARG QG 4.100 . 4.100 4.053 3.783 4.261 0.161 3 0 "[ . 1]" 1
91 1 41 PHE QB 1 74 VAL QG 1.560 . 1.560 1.930 1.876 1.992 0.432 8 0 "[ . 1]" 1
92 1 41 PHE HB2 1 74 VAL MG1 3.520 . 3.520 2.857 2.217 3.697 0.177 9 0 "[ . 1]" 1
93 1 41 PHE HB2 1 74 VAL MG2 3.520 . 3.520 2.911 2.227 3.848 0.328 8 0 "[ . 1]" 1
94 1 41 PHE HB3 1 74 VAL MG1 3.520 . 3.520 2.342 2.063 2.756 . 0 0 "[ . 1]" 1
95 1 41 PHE HB3 1 74 VAL MG2 3.520 . 3.520 2.852 2.181 3.606 0.086 3 0 "[ . 1]" 1
96 1 43 GLY H 1 44 HIS H 4.330 . 4.330 2.925 2.009 3.456 . 0 0 "[ . 1]" 1
97 1 43 GLY H 1 71 ARG H 4.730 . 4.730 4.315 3.901 4.749 0.019 9 0 "[ . 1]" 1
98 1 43 GLY QA 1 49 ALA H 5.030 . 5.030 4.612 3.909 5.126 0.096 7 0 "[ . 1]" 1
99 1 43 GLY QA 1 49 ALA MB 3.470 . 3.470 2.828 2.309 3.415 . 0 0 "[ . 1]" 1
100 1 43 GLY QA 1 71 ARG H 5.340 . 5.340 4.804 4.487 5.341 0.001 2 0 "[ . 1]" 1
101 1 43 GLY QA 1 71 ARG HA 4.780 . 4.780 3.929 3.156 4.438 . 0 0 "[ . 1]" 1
102 1 44 HIS H 1 44 HIS QB 3.350 . 3.350 2.252 2.243 2.268 . 0 0 "[ . 1]" 1
103 1 44 HIS H 1 45 ALA H 4.510 . 4.510 2.713 2.668 2.777 . 0 0 "[ . 1]" 1
104 1 44 HIS H 1 49 ALA MB 5.500 . 5.500 5.514 5.264 5.647 0.147 9 0 "[ . 1]" 1
105 1 44 HIS QB 1 45 ALA H 4.420 . 4.420 2.471 2.409 2.517 . 0 0 "[ . 1]" 1
106 1 45 ALA H 1 46 GLU H 3.740 . 3.740 2.360 1.998 2.470 . 0 0 "[ . 1]" 1
107 1 48 ASN HA 1 49 ALA H 3.410 . 3.410 3.123 2.960 3.214 . 0 0 "[ . 1]" 1
108 1 49 ALA H 1 49 ALA MB 3.180 . 3.180 2.213 2.157 2.246 . 0 0 "[ . 1]" 1
109 1 49 ALA H 1 50 LEU H 4.580 . 4.580 4.568 4.108 4.663 0.083 10 0 "[ . 1]" 1
110 1 49 ALA HA 1 50 LEU H 3.280 . 3.280 2.520 2.233 3.238 . 0 0 "[ . 1]" 1
111 1 49 ALA HA 1 50 LEU QD 4.030 . 4.030 3.646 2.525 4.173 0.143 1 0 "[ . 1]" 1
112 1 49 ALA MB 1 50 LEU H 3.310 . 3.310 2.288 1.729 2.832 . 0 0 "[ . 1]" 1
113 1 49 ALA MB 1 70 LEU H 4.110 . 4.110 3.335 2.812 3.736 . 0 0 "[ . 1]" 1
114 1 50 LEU H 1 50 LEU QB 3.280 . 3.280 2.283 2.079 2.567 . 0 0 "[ . 1]" 1
115 1 50 LEU H 1 50 LEU QD 4.090 . 4.090 2.784 1.661 3.478 . 0 0 "[ . 1]" 1
116 1 50 LEU H 1 70 LEU H 4.220 . 4.220 3.374 2.574 3.867 . 0 0 "[ . 1]" 1
117 1 50 LEU H 1 71 ARG H 5.500 . 5.500 5.547 5.454 5.664 0.164 10 0 "[ . 1]" 1
118 1 50 LEU HA 1 50 LEU MD1 4.400 . 4.400 2.246 2.071 2.526 . 0 0 "[ . 1]" 1
119 1 50 LEU HA 1 50 LEU QD 3.630 . 3.630 2.022 1.945 2.489 . 0 0 "[ . 1]" 1
120 1 50 LEU HA 1 50 LEU MD2 4.400 . 4.400 2.447 2.076 3.758 . 0 0 "[ . 1]" 1
121 1 50 LEU QB 1 50 LEU QD 1.560 . 1.560 1.988 1.919 2.001 0.441 5 0 "[ . 1]" 1
122 1 50 LEU HB2 1 50 LEU MD1 3.520 . 3.520 3.111 2.327 3.210 . 0 0 "[ . 1]" 1
123 1 50 LEU HB2 1 50 LEU MD2 3.520 . 3.520 2.279 2.191 2.371 . 0 0 "[ . 1]" 1
124 1 50 LEU HB3 1 50 LEU MD1 3.520 . 3.520 2.393 2.222 3.202 . 0 0 "[ . 1]" 1
125 1 50 LEU HB3 1 50 LEU MD2 3.520 . 3.520 3.128 2.408 3.222 . 0 0 "[ . 1]" 1
126 1 52 LEU H 1 52 LEU MD2 4.090 . 4.090 4.123 3.784 4.465 0.375 1 0 "[ . 1]" 1
127 1 52 LEU HA 1 52 LEU HG 3.300 . 3.300 2.533 2.375 2.635 . 0 0 "[ . 1]" 1
128 1 52 LEU HA 1 53 ASN H 3.360 . 3.360 2.176 2.128 2.223 . 0 0 "[ . 1]" 1
129 1 52 LEU QB 1 136 ASP HA 5.180 . 5.180 3.658 3.383 3.974 . 0 0 "[ . 1]" 1
130 1 52 LEU MD1 1 53 ASN H 5.020 . 5.020 3.702 3.204 3.962 . 0 0 "[ . 1]" 1
131 1 52 LEU MD1 1 138 PHE HB2 3.280 . 3.280 3.210 3.004 3.343 0.063 1 0 "[ . 1]" 1
132 1 52 LEU MD2 1 53 ASN H 5.240 . 5.240 3.506 3.248 3.862 . 0 0 "[ . 1]" 1
133 1 52 LEU MD2 1 53 ASN HA 4.300 . 4.300 3.548 2.994 4.413 0.113 1 0 "[ . 1]" 1
134 1 52 LEU MD2 1 54 ILE QG 3.040 . 3.040 2.361 2.071 2.844 . 0 0 "[ . 1]" 1
135 1 52 LEU MD2 1 79 ALA HA 3.620 . 3.620 3.736 3.308 3.890 0.270 4 0 "[ . 1]" 1
136 1 52 LEU HG 1 53 ASN H 3.830 . 3.830 2.236 2.082 2.381 . 0 0 "[ . 1]" 1
137 1 52 LEU HG 1 53 ASN HB2 4.850 . 4.850 4.626 4.396 4.737 . 0 0 "[ . 1]" 1
138 1 52 LEU HG 1 136 ASP HA 3.980 . 3.980 4.065 3.787 4.192 0.212 3 0 "[ . 1]" 1
139 1 52 LEU HG 1 137 ALA H 4.510 . 4.510 4.522 4.338 4.644 0.134 2 0 "[ . 1]" 1
140 1 52 LEU HG 1 138 PHE H 4.510 . 4.510 4.182 3.895 4.389 . 0 0 "[ . 1]" 1
141 1 52 LEU HG 1 138 PHE HB2 4.190 . 4.190 3.871 3.348 4.257 0.067 2 0 "[ . 1]" 1
142 1 53 ASN H 1 53 ASN HB2 3.720 . 3.720 2.541 2.466 2.603 . 0 0 "[ . 1]" 1
143 1 53 ASN H 1 53 ASN HB3 4.070 . 4.070 3.716 3.672 3.751 . 0 0 "[ . 1]" 1
144 1 53 ASN H 1 53 ASN QD 4.520 . 4.520 3.839 3.315 4.326 . 0 0 "[ . 1]" 1
145 1 53 ASN H 1 54 ILE H 4.660 . 4.660 4.462 4.431 4.512 . 0 0 "[ . 1]" 1
146 1 53 ASN H 1 137 ALA HA 3.690 . 3.690 2.344 2.119 2.523 . 0 0 "[ . 1]" 1
147 1 53 ASN H 1 137 ALA MB 3.930 . 3.930 3.784 3.600 3.907 . 0 0 "[ . 1]" 1
148 1 53 ASN H 1 138 PHE H 4.110 . 4.110 3.777 3.586 4.029 . 0 0 "[ . 1]" 1
149 1 53 ASN HA 1 54 ILE H 3.350 . 3.350 2.270 2.215 2.299 . 0 0 "[ . 1]" 1
150 1 53 ASN HA 1 65 PRO HA 5.280 . 5.280 5.152 4.719 5.332 0.052 3 0 "[ . 1]" 1
151 1 53 ASN HA 1 65 PRO QB 4.170 . 4.170 3.078 2.578 3.727 . 0 0 "[ . 1]" 1
152 1 53 ASN HA 1 68 VAL MG2 4.810 . 4.810 4.516 4.099 4.821 0.011 1 0 "[ . 1]" 1
153 1 53 ASN HB2 1 137 ALA MB 3.520 . 3.520 2.698 2.499 2.813 . 0 0 "[ . 1]" 1
154 1 53 ASN HB2 1 138 PHE H 4.250 . 4.250 3.878 3.787 3.964 . 0 0 "[ . 1]" 1
155 1 53 ASN HB3 1 54 ILE H 4.030 . 4.030 2.815 2.657 3.049 . 0 0 "[ . 1]" 1
156 1 53 ASN HB3 1 54 ILE HA 4.400 . 4.400 4.491 4.460 4.531 0.131 3 0 "[ . 1]" 1
157 1 53 ASN HB3 1 55 TYR QE 4.980 . 4.980 2.611 2.334 3.150 . 0 0 "[ . 1]" 1
158 1 53 ASN HB3 1 137 ALA MB 3.820 . 3.820 3.814 3.679 3.870 0.050 8 0 "[ . 1]" 1
159 1 54 ILE H 1 54 ILE HB 3.890 . 3.890 2.585 2.534 2.623 . 0 0 "[ . 1]" 1
160 1 54 ILE H 1 54 ILE MD 4.190 . 4.190 3.718 3.537 4.164 . 0 0 "[ . 1]" 1
161 1 54 ILE H 1 54 ILE HG12 4.610 . 4.610 2.799 2.673 2.972 . 0 0 "[ . 1]" 1
162 1 54 ILE H 1 54 ILE QG 3.840 . 3.840 2.753 2.638 2.894 . 0 0 "[ . 1]" 1
163 1 54 ILE H 1 54 ILE HG13 4.610 . 4.610 4.091 3.980 4.193 . 0 0 "[ . 1]" 1
164 1 54 ILE HA 1 54 ILE MD 3.340 . 3.340 2.133 2.101 2.240 . 0 0 "[ . 1]" 1
165 1 54 ILE HA 1 54 ILE MG 3.470 . 3.470 2.334 2.277 2.387 . 0 0 "[ . 1]" 1
166 1 54 ILE HA 1 55 TYR H 3.370 . 3.370 2.179 2.147 2.263 . 0 0 "[ . 1]" 1
167 1 54 ILE HA 1 137 ALA HA 4.330 . 4.330 4.385 4.298 4.488 0.158 6 0 "[ . 1]" 1
168 1 54 ILE HA 1 138 PHE H 3.850 . 3.850 2.820 2.748 2.912 . 0 0 "[ . 1]" 1
169 1 54 ILE HB 1 66 LEU QB 3.410 . 3.410 2.182 2.068 2.292 . 0 0 "[ . 1]" 1
170 1 54 ILE HB 1 66 LEU QD 3.520 . 3.520 3.549 3.434 3.658 0.138 7 0 "[ . 1]" 1
171 1 54 ILE HB 1 138 PHE H 5.500 . 5.500 5.682 5.607 5.775 0.275 8 0 "[ . 1]" 1
172 1 54 ILE MD 1 55 TYR H 4.470 . 4.470 3.439 3.205 3.549 . 0 0 "[ . 1]" 1
173 1 54 ILE MD 1 138 PHE H 3.790 . 3.790 3.279 2.917 3.773 . 0 0 "[ . 1]" 1
174 1 54 ILE QG 1 66 LEU QB 1.560 . 1.560 2.022 1.947 2.036 0.476 2 0 "[ . 1]" 1
175 1 54 ILE MG 1 55 TYR H 3.720 . 3.720 2.378 1.950 2.582 . 0 0 "[ . 1]" 1
176 1 54 ILE MG 1 55 TYR QD 4.580 . 4.580 4.554 4.380 4.627 0.047 8 0 "[ . 1]" 1
177 1 54 ILE MG 1 66 LEU QD 3.950 . 3.950 3.544 3.325 3.710 . 0 0 "[ . 1]" 1
178 1 54 ILE MG 1 139 ALA HA 4.060 . 4.060 2.955 2.683 3.163 . 0 0 "[ . 1]" 1
179 1 54 ILE MG 1 140 LEU H 3.910 . 3.910 3.411 2.392 3.827 . 0 0 "[ . 1]" 1
180 1 55 TYR H 1 55 TYR QD 4.000 . 4.000 3.003 2.753 3.328 . 0 0 "[ . 1]" 1
181 1 55 TYR H 1 111 VAL QG 4.670 . 4.670 3.936 3.582 4.416 . 0 0 "[ . 1]" 1
182 1 55 TYR H 1 138 PHE H 4.270 . 4.270 3.783 3.592 4.139 . 0 0 "[ . 1]" 1
183 1 55 TYR H 1 139 ALA HA 3.630 . 3.630 2.350 2.124 2.615 . 0 0 "[ . 1]" 1
184 1 55 TYR H 1 139 ALA MB 4.250 . 4.250 3.492 2.954 3.754 . 0 0 "[ . 1]" 1
185 1 55 TYR H 1 140 LEU H 4.180 . 4.180 4.136 3.859 4.254 0.074 2 0 "[ . 1]" 1
186 1 55 TYR HB2 1 111 VAL MG1 5.100 . 5.100 3.278 2.322 4.398 . 0 0 "[ . 1]" 1
187 1 55 TYR HB2 1 111 VAL QG 4.250 . 4.250 2.690 2.282 3.516 . 0 0 "[ . 1]" 1
188 1 55 TYR HB2 1 111 VAL MG2 5.100 . 5.100 3.138 2.391 4.155 . 0 0 "[ . 1]" 1
189 1 55 TYR HB2 1 139 ALA HA 4.270 . 4.270 3.578 3.192 3.885 . 0 0 "[ . 1]" 1
190 1 55 TYR HB2 1 139 ALA MB 3.930 . 3.930 2.901 2.306 3.405 . 0 0 "[ . 1]" 1
191 1 55 TYR HB3 1 56 PHE H 4.270 . 4.270 3.985 3.820 4.077 . 0 0 "[ . 1]" 1
192 1 55 TYR HB3 1 139 ALA HA 5.470 . 5.470 4.862 4.513 5.215 . 0 0 "[ . 1]" 1
193 1 55 TYR HB3 1 139 ALA MB 4.550 . 4.550 4.020 3.534 4.600 0.050 8 0 "[ . 1]" 1
194 1 55 TYR QD 1 65 PRO QD 5.240 . 5.240 5.155 4.976 5.311 0.071 5 0 "[ . 1]" 1
195 1 55 TYR QD 1 111 VAL QG 4.100 . 4.100 2.887 2.411 3.493 . 0 0 "[ . 1]" 1
196 1 55 TYR QE 1 65 PRO QD 4.040 . 4.040 3.888 3.651 4.079 0.039 1 0 "[ . 1]" 1
197 1 56 PHE H 1 56 PHE QB 3.810 . 3.810 2.590 2.324 2.723 . 0 0 "[ . 1]" 1
198 1 56 PHE H 1 56 PHE QD 4.080 . 4.080 1.825 1.729 2.090 . 0 0 "[ . 1]" 1
199 1 56 PHE H 1 59 SER QB 4.530 . 4.530 2.937 2.144 3.938 . 0 0 "[ . 1]" 1
200 1 56 PHE HA 1 56 PHE QD 4.030 . 4.030 3.092 2.918 3.204 . 0 0 "[ . 1]" 1
201 1 56 PHE QB 1 59 SER H 3.950 . 3.950 2.486 2.112 2.751 . 0 0 "[ . 1]" 1
202 1 56 PHE QB 1 59 SER QB 3.940 . 3.940 2.544 2.200 3.570 . 0 0 "[ . 1]" 1
203 1 56 PHE QD 1 96 ILE MD 4.580 . 4.580 4.535 3.839 4.714 0.134 6 0 "[ . 1]" 1
204 1 56 PHE QD 1 140 LEU QB 4.300 . 4.300 2.762 2.200 4.157 . 0 0 "[ . 1]" 1
205 1 56 PHE QE 1 96 ILE MD 4.330 . 4.330 3.467 2.699 4.346 0.016 3 0 "[ . 1]" 1
206 1 56 PHE QE 1 96 ILE QG 5.280 . 5.280 4.879 4.296 5.396 0.116 7 0 "[ . 1]" 1
207 1 56 PHE QE 1 140 LEU QB 4.090 . 4.090 3.405 2.242 4.170 0.080 6 0 "[ . 1]" 1
208 1 57 PRO QB 1 58 SER H 4.030 . 4.030 3.065 2.560 3.391 . 0 0 "[ . 1]" 1
209 1 57 PRO QG 1 58 SER H 3.910 . 3.910 3.072 2.339 3.919 0.009 4 0 "[ . 1]" 1
210 1 58 SER H 1 59 SER H 3.590 . 3.590 2.426 2.334 2.601 . 0 0 "[ . 1]" 1
211 1 58 SER H 1 59 SER QB 4.400 . 4.400 4.274 4.060 4.543 0.143 4 0 "[ . 1]" 1
212 1 58 SER HA 1 59 SER H 3.550 . 3.550 3.356 3.146 3.507 . 0 0 "[ . 1]" 1
213 1 59 SER H 1 59 SER QB 3.420 . 3.420 2.287 2.245 2.414 . 0 0 "[ . 1]" 1
214 1 59 SER HA 1 60 GLU H 3.530 . 3.530 2.192 2.130 2.259 . 0 0 "[ . 1]" 1
215 1 60 GLU H 1 60 GLU QB 3.430 . 3.430 2.326 2.248 2.395 . 0 0 "[ . 1]" 1
216 1 62 PRO HA 1 64 LYS H 4.280 . 4.280 3.353 3.178 3.569 . 0 0 "[ . 1]" 1
217 1 62 PRO QB 1 63 SER H 3.610 . 3.610 3.438 3.225 3.690 0.080 5 0 "[ . 1]" 1
218 1 63 SER H 1 63 SER QB 3.440 . 3.440 2.502 2.256 2.686 . 0 0 "[ . 1]" 1
219 1 63 SER H 1 64 LYS H 3.310 . 3.310 2.549 2.383 2.644 . 0 0 "[ . 1]" 1
220 1 65 PRO HA 1 66 LEU H 3.230 . 3.230 2.362 2.317 2.400 . 0 0 "[ . 1]" 1
221 1 65 PRO HB2 1 66 LEU H 4.470 . 4.470 2.900 2.770 3.354 . 0 0 "[ . 1]" 1
222 1 65 PRO HB3 1 66 LEU H 4.470 . 4.470 3.691 3.121 3.907 . 0 0 "[ . 1]" 1
223 1 66 LEU H 1 66 LEU HB2 4.000 . 4.000 2.683 2.313 2.983 . 0 0 "[ . 1]" 1
224 1 66 LEU H 1 66 LEU QB 3.480 . 3.480 2.274 2.208 2.405 . 0 0 "[ . 1]" 1
225 1 66 LEU H 1 66 LEU HB3 4.000 . 4.000 2.536 2.344 2.880 . 0 0 "[ . 1]" 1
226 1 66 LEU HA 1 67 PHE H 3.250 . 3.250 2.179 2.144 2.205 . 0 0 "[ . 1]" 1
227 1 66 LEU HA 1 67 PHE QB 4.490 . 4.490 4.120 4.056 4.191 . 0 0 "[ . 1]" 1
228 1 66 LEU QB 1 66 LEU QD 1.560 . 1.560 1.911 1.895 1.951 0.391 9 0 "[ . 1]" 1
229 1 66 LEU QB 1 67 PHE H 4.020 . 4.020 3.877 3.746 3.981 . 0 0 "[ . 1]" 1
230 1 66 LEU HB2 1 66 LEU MD1 3.520 . 3.520 2.327 2.250 2.491 . 0 0 "[ . 1]" 1
231 1 66 LEU HB2 1 66 LEU MD2 3.520 . 3.520 2.598 2.276 3.213 . 0 0 "[ . 1]" 1
232 1 66 LEU HB2 1 67 PHE H 4.590 . 4.590 4.414 4.242 4.591 0.001 8 0 "[ . 1]" 1
233 1 66 LEU HB3 1 66 LEU MD1 3.520 . 3.520 2.920 2.202 3.209 . 0 0 "[ . 1]" 1
234 1 66 LEU HB3 1 66 LEU MD2 3.520 . 3.520 2.306 2.252 2.481 . 0 0 "[ . 1]" 1
235 1 66 LEU HB3 1 67 PHE H 4.590 . 4.590 4.313 4.009 4.495 . 0 0 "[ . 1]" 1
236 1 66 LEU QD 1 82 TYR H 4.960 . 4.960 4.286 3.963 4.536 . 0 0 "[ . 1]" 1
237 1 66 LEU QD 1 82 TYR QB 2.710 . 2.710 2.746 2.457 2.931 0.221 4 0 "[ . 1]" 1
238 1 66 LEU QD 1 82 TYR QD 4.210 . 4.210 2.420 2.180 2.951 . 0 0 "[ . 1]" 1
239 1 66 LEU QD 1 82 TYR QE 4.510 . 4.510 3.483 2.920 4.301 . 0 0 "[ . 1]" 1
240 1 66 LEU MD1 1 82 TYR HB2 4.710 . 4.710 4.846 4.751 4.891 0.181 7 0 "[ . 1]" 1
241 1 66 LEU MD1 1 82 TYR HB3 4.710 . 4.710 3.428 3.308 3.636 . 0 0 "[ . 1]" 1
242 1 66 LEU MD2 1 82 TYR HB2 4.710 . 4.710 4.343 4.039 4.686 . 0 0 "[ . 1]" 1
243 1 66 LEU MD2 1 82 TYR HB3 4.710 . 4.710 2.980 2.559 3.246 . 0 0 "[ . 1]" 1
244 1 67 PHE H 1 67 PHE HB2 3.660 . 3.660 2.773 2.581 3.057 . 0 0 "[ . 1]" 1
245 1 67 PHE H 1 67 PHE HB3 3.660 . 3.660 2.553 2.295 2.700 . 0 0 "[ . 1]" 1
246 1 67 PHE H 1 67 PHE QD 4.610 . 4.610 4.222 4.164 4.286 . 0 0 "[ . 1]" 1
247 1 67 PHE H 1 68 VAL MG1 3.810 . 3.810 3.620 3.427 3.948 0.138 5 0 "[ . 1]" 1
248 1 67 PHE HA 1 67 PHE QD 3.810 . 3.810 2.692 2.276 3.022 . 0 0 "[ . 1]" 1
249 1 67 PHE HA 1 68 VAL H 3.160 . 3.160 2.157 2.138 2.173 . 0 0 "[ . 1]" 1
250 1 67 PHE HA 1 68 VAL MG2 4.100 . 4.100 3.646 3.494 3.924 . 0 0 "[ . 1]" 1
251 1 67 PHE QD 1 68 VAL H 4.440 . 4.440 3.545 2.713 3.872 . 0 0 "[ . 1]" 1
252 1 67 PHE QD 1 68 VAL MG1 4.700 . 4.700 4.481 4.280 4.854 0.154 9 0 "[ . 1]" 1
253 1 67 PHE QD 1 69 GLU HG2 5.500 . 5.500 5.343 5.094 5.505 0.005 1 0 "[ . 1]" 1
254 1 67 PHE QD 1 69 GLU HG3 5.500 . 5.500 4.483 3.842 5.584 0.084 3 0 "[ . 1]" 1
255 1 67 PHE QE 1 69 GLU HG2 5.500 . 5.500 4.086 3.676 4.356 . 0 0 "[ . 1]" 1
256 1 67 PHE QE 1 69 GLU HG3 5.500 . 5.500 3.511 2.827 4.295 . 0 0 "[ . 1]" 1
257 1 68 VAL H 1 68 VAL HB 4.070 . 4.070 3.859 3.775 3.933 . 0 0 "[ . 1]" 1
258 1 68 VAL H 1 68 VAL MG1 3.830 . 3.830 3.101 2.677 3.274 . 0 0 "[ . 1]" 1
259 1 68 VAL H 1 68 VAL MG2 3.550 . 3.550 2.182 2.119 2.259 . 0 0 "[ . 1]" 1
260 1 68 VAL HA 1 68 VAL MG1 3.370 . 3.370 2.315 2.262 2.403 . 0 0 "[ . 1]" 1
261 1 68 VAL HA 1 69 GLU H 3.160 . 3.160 2.364 2.307 2.452 . 0 0 "[ . 1]" 1
262 1 68 VAL HB 1 69 GLU H 3.330 . 3.330 2.423 2.261 2.556 . 0 0 "[ . 1]" 1
263 1 68 VAL MG1 1 69 GLU H 3.710 . 3.710 3.581 3.428 3.839 0.129 9 0 "[ . 1]" 1
264 1 68 VAL MG2 1 69 GLU HA 4.260 . 4.260 3.905 3.494 4.145 . 0 0 "[ . 1]" 1
265 1 68 VAL MG2 1 82 TYR HB2 5.060 . 5.060 4.018 3.690 4.514 . 0 0 "[ . 1]" 1
266 1 68 VAL MG2 1 82 TYR QB 4.280 . 4.280 3.360 2.988 3.789 . 0 0 "[ . 1]" 1
267 1 68 VAL MG2 1 82 TYR HB3 5.060 . 5.060 3.617 3.158 4.157 . 0 0 "[ . 1]" 1
268 1 69 GLU H 1 69 GLU QB 3.650 . 3.650 2.579 2.438 2.682 . 0 0 "[ . 1]" 1
269 1 69 GLU H 1 69 GLU QG 4.140 . 4.140 3.146 2.846 3.788 . 0 0 "[ . 1]" 1
270 1 69 GLU HA 1 69 GLU QG 3.310 . 3.310 2.321 2.277 2.382 . 0 0 "[ . 1]" 1
271 1 69 GLU HA 1 70 LEU H 3.240 . 3.240 2.216 2.155 2.301 . 0 0 "[ . 1]" 1
272 1 69 GLU QB 1 70 LEU H 4.210 . 4.210 2.995 2.574 3.432 . 0 0 "[ . 1]" 1
273 1 70 LEU H 1 70 LEU QB 3.380 . 3.380 2.594 2.336 2.909 . 0 0 "[ . 1]" 1
274 1 70 LEU H 1 70 LEU QD 4.320 . 4.320 2.769 2.015 3.699 . 0 0 "[ . 1]" 1
275 1 70 LEU QD 1 71 ARG H 4.780 . 4.780 3.548 2.885 4.383 . 0 0 "[ . 1]" 1
276 1 71 ARG H 1 71 ARG QD 5.220 . 5.220 3.996 3.746 4.392 . 0 0 "[ . 1]" 1
277 1 71 ARG H 1 71 ARG QG 3.190 . 3.190 2.763 2.368 3.473 0.283 2 0 "[ . 1]" 1
278 1 71 ARG QB 1 71 ARG QD 3.280 . 3.280 2.205 2.107 2.338 . 0 0 "[ . 1]" 1
279 1 71 ARG QB 1 73 ASN H 3.780 . 3.780 2.369 2.100 3.136 . 0 0 "[ . 1]" 1
280 1 71 ARG QB 1 74 VAL QG 1.560 . 1.560 1.835 1.746 1.919 0.359 2 0 "[ . 1]" 1
281 1 71 ARG HB2 1 74 VAL MG1 3.520 . 3.520 2.345 2.043 3.530 0.010 7 0 "[ . 1]" 1
282 1 71 ARG HB2 1 74 VAL MG2 3.520 . 3.520 2.098 2.045 2.205 . 0 0 "[ . 1]" 1
283 1 71 ARG HB3 1 74 VAL MG1 3.520 . 3.520 3.132 2.328 3.892 0.372 2 0 "[ . 1]" 1
284 1 71 ARG HB3 1 74 VAL MG2 3.520 . 3.520 2.961 2.083 3.492 . 0 0 "[ . 1]" 1
285 1 71 ARG QG 1 73 ASN H 4.130 . 4.130 4.096 3.341 4.383 0.253 5 0 "[ . 1]" 1
286 1 71 ARG QG 1 74 VAL H 4.450 . 4.450 4.550 4.367 4.625 0.175 6 0 "[ . 1]" 1
287 1 71 ARG QG 1 74 VAL QG 3.450 . 3.450 3.054 2.538 3.479 0.029 2 0 "[ . 1]" 1
288 1 73 ASN H 1 73 ASN HB2 3.930 . 3.930 2.802 2.316 3.769 . 0 0 "[ . 1]" 1
289 1 73 ASN H 1 73 ASN QB 3.400 . 3.400 2.433 2.284 2.798 . 0 0 "[ . 1]" 1
290 1 73 ASN H 1 73 ASN HB3 3.930 . 3.930 3.118 2.432 3.653 . 0 0 "[ . 1]" 1
291 1 73 ASN H 1 73 ASN QD 4.450 . 4.450 3.613 2.743 4.520 0.070 9 0 "[ . 1]" 1
292 1 73 ASN H 1 74 VAL H 3.650 . 3.650 2.317 2.082 2.791 . 0 0 "[ . 1]" 1
293 1 73 ASN H 1 74 VAL QG 4.330 . 4.330 3.229 3.004 3.779 . 0 0 "[ . 1]" 1
294 1 73 ASN QB 1 74 VAL H 4.280 . 4.280 3.258 2.974 3.693 . 0 0 "[ . 1]" 1
295 1 74 VAL H 1 74 VAL HB 3.410 . 3.410 3.385 2.390 3.668 0.258 3 0 "[ . 1]" 1
296 1 74 VAL H 1 74 VAL QG 3.050 . 3.050 2.002 1.704 2.856 . 0 0 "[ . 1]" 1
297 1 74 VAL H 1 75 LEU H 4.800 . 4.800 4.503 4.297 4.617 . 0 0 "[ . 1]" 1
298 1 74 VAL H 1 75 LEU QD 4.890 . 4.890 4.817 4.331 5.019 0.129 6 0 "[ . 1]" 1
299 1 74 VAL HA 1 74 VAL MG1 3.530 . 3.530 2.431 2.338 2.505 . 0 0 "[ . 1]" 1
300 1 74 VAL HA 1 74 VAL QG 3.080 . 3.080 2.300 2.082 2.420 . 0 0 "[ . 1]" 1
301 1 74 VAL HA 1 74 VAL MG2 3.530 . 3.530 3.007 2.230 3.203 . 0 0 "[ . 1]" 1
302 1 74 VAL HA 1 75 LEU H 3.170 . 3.170 2.402 2.145 2.816 . 0 0 "[ . 1]" 1
303 1 74 VAL HB 1 75 LEU H 4.280 . 4.280 2.703 1.747 4.283 0.003 2 0 "[ . 1]" 1
304 1 74 VAL QG 1 75 LEU H 3.780 . 3.780 2.860 2.258 3.321 . 0 0 "[ . 1]" 1
305 1 75 LEU H 1 75 LEU QD 4.370 . 4.370 2.455 1.758 3.301 . 0 0 "[ . 1]" 1
306 1 75 LEU H 1 75 LEU HG 4.380 . 4.380 2.901 1.906 3.866 . 0 0 "[ . 1]" 1
307 1 75 LEU HA 1 75 LEU QD 4.060 . 4.060 2.350 2.062 3.096 . 0 0 "[ . 1]" 1
308 1 75 LEU HA 1 76 VAL H 3.550 . 3.550 2.375 2.220 2.506 . 0 0 "[ . 1]" 1
309 1 75 LEU QB 1 76 VAL H 3.650 . 3.650 2.392 2.127 2.733 . 0 0 "[ . 1]" 1
310 1 75 LEU QB 1 76 VAL HB 4.300 . 4.300 4.065 3.778 4.318 0.018 8 0 "[ . 1]" 1
311 1 75 LEU QB 1 76 VAL MG2 4.100 . 4.100 3.882 3.472 4.241 0.141 3 0 "[ . 1]" 1
312 1 75 LEU QB 1 77 SER H 3.980 . 3.980 2.520 2.331 2.732 . 0 0 "[ . 1]" 1
313 1 75 LEU QB 1 78 GLU H 3.820 . 3.820 3.756 3.177 3.961 0.141 1 0 "[ . 1]" 1
314 1 75 LEU QD 1 77 SER H 4.220 . 4.220 3.974 3.835 4.248 0.028 8 0 "[ . 1]" 1
315 1 75 LEU QD 1 126 ARG HA 3.580 . 3.580 3.238 2.597 3.618 0.038 7 0 "[ . 1]" 1
316 1 75 LEU HG 1 76 VAL H 4.860 . 4.860 4.466 3.732 4.898 0.038 7 0 "[ . 1]" 1
317 1 76 VAL H 1 76 VAL HB 3.620 . 3.620 2.525 2.388 2.712 . 0 0 "[ . 1]" 1
318 1 76 VAL H 1 76 VAL MG1 3.880 . 3.880 3.731 3.714 3.749 . 0 0 "[ . 1]" 1
319 1 76 VAL H 1 76 VAL MG2 3.710 . 3.710 1.970 1.739 2.277 . 0 0 "[ . 1]" 1
320 1 76 VAL H 1 77 SER H 4.220 . 4.220 2.584 2.528 2.667 . 0 0 "[ . 1]" 1
321 1 76 VAL H 1 125 ASP H 5.090 . 5.090 4.900 4.368 5.196 0.106 4 0 "[ . 1]" 1
322 1 76 VAL H 1 126 ARG HA 4.580 . 4.580 3.183 2.646 3.868 . 0 0 "[ . 1]" 1
323 1 76 VAL H 1 128 GLY H 4.630 . 4.630 4.256 3.730 4.701 0.071 2 0 "[ . 1]" 1
324 1 76 VAL H 1 130 LEU H 4.630 . 4.630 3.758 2.697 4.375 . 0 0 "[ . 1]" 1
325 1 76 VAL H 1 130 LEU QD 4.760 . 4.760 4.597 3.485 4.922 0.162 1 0 "[ . 1]" 1
326 1 76 VAL HA 1 76 VAL MG1 3.290 . 3.290 2.301 2.193 2.391 . 0 0 "[ . 1]" 1
327 1 76 VAL HA 1 79 ALA H 4.130 . 4.130 3.377 3.193 3.778 . 0 0 "[ . 1]" 1
328 1 76 VAL HA 1 79 ALA MB 3.600 . 3.600 3.311 2.898 3.742 0.142 8 0 "[ . 1]" 1
329 1 76 VAL HA 1 130 LEU H 4.750 . 4.750 3.678 3.210 4.054 . 0 0 "[ . 1]" 1
330 1 76 VAL HA 1 130 LEU HB2 4.360 . 4.360 3.157 2.530 4.580 0.220 8 0 "[ . 1]" 1
331 1 76 VAL HA 1 130 LEU QB 3.800 . 3.800 2.834 2.509 3.293 . 0 0 "[ . 1]" 1
332 1 76 VAL HA 1 130 LEU HB3 4.360 . 4.360 4.147 2.882 4.493 0.133 1 0 "[ . 1]" 1
333 1 76 VAL HA 1 130 LEU QD 3.720 . 3.720 2.804 2.159 3.699 . 0 0 "[ . 1]" 1
334 1 76 VAL HB 1 77 SER H 3.720 . 3.720 2.730 2.321 2.967 . 0 0 "[ . 1]" 1
335 1 76 VAL HB 1 77 SER HA 4.320 . 4.320 4.060 3.900 4.219 . 0 0 "[ . 1]" 1
336 1 76 VAL HB 1 125 ASP H 4.150 . 4.150 3.433 2.886 3.782 . 0 0 "[ . 1]" 1
337 1 76 VAL HB 1 125 ASP HA 3.120 . 3.120 2.304 2.236 2.367 . 0 0 "[ . 1]" 1
338 1 76 VAL HB 1 126 ARG HA 3.700 . 3.700 3.289 3.002 3.758 0.058 2 0 "[ . 1]" 1
339 1 76 VAL HB 1 128 GLY H 4.470 . 4.470 4.442 4.235 4.553 0.083 6 0 "[ . 1]" 1
340 1 76 VAL MG1 1 77 SER H 4.000 . 4.000 3.654 3.308 3.872 . 0 0 "[ . 1]" 1
341 1 76 VAL MG1 1 78 GLU H 4.810 . 4.810 4.435 4.228 4.702 . 0 0 "[ . 1]" 1
342 1 76 VAL MG1 1 125 ASP H 4.220 . 4.220 2.849 2.284 3.384 . 0 0 "[ . 1]" 1
343 1 76 VAL MG1 1 125 ASP QB 4.780 . 4.780 3.988 3.792 4.126 . 0 0 "[ . 1]" 1
344 1 76 VAL MG1 1 126 ARG H 4.710 . 4.710 4.165 3.757 4.492 . 0 0 "[ . 1]" 1
345 1 76 VAL MG1 1 130 LEU HA 4.510 . 4.510 4.031 3.563 4.568 0.058 1 0 "[ . 1]" 1
346 1 76 VAL MG1 1 130 LEU QD 3.090 . 3.090 2.343 1.913 2.908 . 0 0 "[ . 1]" 1
347 1 76 VAL MG2 1 77 SER H 4.110 . 4.110 3.779 3.470 3.973 . 0 0 "[ . 1]" 1
348 1 76 VAL MG2 1 124 LEU HA 4.150 . 4.150 4.278 4.007 4.511 0.361 5 0 "[ . 1]" 1
349 1 76 VAL MG2 1 125 ASP H 4.330 . 4.330 1.942 1.690 2.495 . 0 0 "[ . 1]" 1
350 1 76 VAL MG2 1 125 ASP QB 4.590 . 4.590 4.089 3.743 4.682 0.092 2 0 "[ . 1]" 1
351 1 76 VAL MG2 1 126 ARG H 5.070 . 5.070 4.301 3.787 5.091 0.021 2 0 "[ . 1]" 1
352 1 76 VAL MG2 1 126 ARG HA 4.560 . 4.560 3.929 3.309 4.603 0.043 2 0 "[ . 1]" 1
353 1 76 VAL MG2 1 128 GLY QA 4.130 . 4.130 3.960 3.745 4.245 0.115 9 0 "[ . 1]" 1
354 1 76 VAL MG2 1 130 LEU H 4.920 . 4.920 2.297 1.833 2.891 . 0 0 "[ . 1]" 1
355 1 77 SER H 1 77 SER QB 3.530 . 3.530 2.449 2.193 2.677 . 0 0 "[ . 1]" 1
356 1 77 SER H 1 78 GLU H 4.240 . 4.240 2.984 2.943 3.030 . 0 0 "[ . 1]" 1
357 1 77 SER H 1 126 ARG HA 4.290 . 4.290 2.737 2.460 3.205 . 0 0 "[ . 1]" 1
358 1 77 SER H 1 126 ARG QB 4.110 . 4.110 3.691 3.293 4.127 0.017 3 0 "[ . 1]" 1
359 1 77 SER H 1 128 GLY H 5.400 . 5.400 5.644 5.569 5.764 0.364 5 0 "[ . 1]" 1
360 1 77 SER HA 1 80 ILE MG 3.640 . 3.640 3.383 2.613 3.826 0.186 3 0 "[ . 1]" 1
361 1 77 SER QB 1 80 ILE MG 4.750 . 4.750 4.102 3.588 4.733 . 0 0 "[ . 1]" 1
362 1 77 SER QB 1 126 ARG QB 4.310 . 4.310 3.088 2.218 4.275 . 0 0 "[ . 1]" 1
363 1 78 GLU H 1 79 ALA H 3.670 . 3.670 2.584 2.478 2.725 . 0 0 "[ . 1]" 1
364 1 79 ALA H 1 79 ALA MB 3.450 . 3.450 2.216 2.153 2.254 . 0 0 "[ . 1]" 1
365 1 79 ALA H 1 130 LEU QD 4.360 . 4.360 4.143 3.767 4.470 0.110 5 0 "[ . 1]" 1
366 1 79 ALA HA 1 130 LEU QD 4.070 . 4.070 4.172 3.967 4.318 0.248 10 0 "[ . 1]" 1
367 1 79 ALA MB 1 80 ILE H 3.730 . 3.730 2.167 2.057 2.353 . 0 0 "[ . 1]" 1
368 1 79 ALA MB 1 80 ILE HA 4.290 . 4.290 3.776 3.739 3.793 . 0 0 "[ . 1]" 1
369 1 79 ALA MB 1 130 LEU QD 3.000 . 3.000 2.730 2.279 3.027 0.027 7 0 "[ . 1]" 1
370 1 80 ILE H 1 80 ILE HB 3.800 . 3.800 2.489 2.428 2.679 . 0 0 "[ . 1]" 1
371 1 80 ILE H 1 80 ILE MD 4.510 . 4.510 4.090 3.907 4.357 . 0 0 "[ . 1]" 1
372 1 80 ILE H 1 80 ILE QG 4.270 . 4.270 4.037 3.969 4.085 . 0 0 "[ . 1]" 1
373 1 80 ILE H 1 80 ILE MG 3.530 . 3.530 2.133 1.964 2.234 . 0 0 "[ . 1]" 1
374 1 80 ILE H 1 81 GLY H 4.060 . 4.060 2.601 2.542 2.667 . 0 0 "[ . 1]" 1
375 1 80 ILE H 1 82 TYR H 4.430 . 4.430 4.272 4.042 4.397 . 0 0 "[ . 1]" 1
376 1 80 ILE HA 1 80 ILE MD 3.230 . 3.230 2.703 2.133 3.579 0.349 2 0 "[ . 1]" 1
377 1 80 ILE HA 1 80 ILE QG 3.610 . 3.610 2.536 2.225 2.783 . 0 0 "[ . 1]" 1
378 1 80 ILE HA 1 80 ILE MG 3.590 . 3.590 3.196 3.187 3.208 . 0 0 "[ . 1]" 1
379 1 80 ILE HA 1 81 GLY QA 4.980 . 4.980 4.517 4.480 4.543 . 0 0 "[ . 1]" 1
380 1 80 ILE HA 1 83 ILE H 4.280 . 4.280 3.365 3.222 3.570 . 0 0 "[ . 1]" 1
381 1 80 ILE HA 1 83 ILE HB 4.030 . 4.030 2.968 2.791 3.198 . 0 0 "[ . 1]" 1
382 1 80 ILE HA 1 83 ILE MD 3.740 . 3.740 3.604 2.140 3.836 0.096 2 0 "[ . 1]" 1
383 1 80 ILE HA 1 83 ILE MG 3.920 . 3.920 3.789 3.666 4.087 0.167 4 0 "[ . 1]" 1
384 1 80 ILE HB 1 81 GLY H 4.030 . 4.030 3.917 3.812 4.070 0.040 6 0 "[ . 1]" 1
385 1 80 ILE HB 1 101 GLN HA 5.410 . 5.410 5.399 5.065 5.509 0.099 5 0 "[ . 1]" 1
386 1 80 ILE QG 1 83 ILE H 4.370 . 4.370 4.084 3.690 4.409 0.039 7 0 "[ . 1]" 1
387 1 80 ILE QG 1 101 GLN HA 3.550 . 3.550 2.900 2.551 3.168 . 0 0 "[ . 1]" 1
388 1 80 ILE QG 1 101 GLN QE 4.710 . 4.710 3.610 2.901 4.804 0.094 3 0 "[ . 1]" 1
389 1 80 ILE MG 1 81 GLY H 3.950 . 3.950 2.019 1.877 2.311 . 0 0 "[ . 1]" 1
390 1 80 ILE MG 1 82 TYR H 5.230 . 5.230 4.247 4.032 4.453 . 0 0 "[ . 1]" 1
391 1 80 ILE MG 1 101 GLN HA 3.900 . 3.900 3.684 3.348 3.913 0.013 4 0 "[ . 1]" 1
392 1 80 ILE MG 1 101 GLN QG 4.010 . 4.010 3.221 2.282 4.118 0.108 2 0 "[ . 1]" 1
393 1 81 GLY H 1 82 TYR H 3.870 . 3.870 2.782 2.663 2.897 . 0 0 "[ . 1]" 1
394 1 81 GLY H 1 82 TYR QB 5.250 . 5.250 4.534 4.395 4.663 . 0 0 "[ . 1]" 1
395 1 82 TYR H 1 82 TYR QB 3.360 . 3.360 2.242 2.208 2.272 . 0 0 "[ . 1]" 1
396 1 82 TYR H 1 82 TYR QD 4.470 . 4.470 4.151 4.101 4.185 . 0 0 "[ . 1]" 1
397 1 82 TYR H 1 83 ILE H 4.000 . 4.000 2.581 2.536 2.634 . 0 0 "[ . 1]" 1
398 1 82 TYR H 1 83 ILE HB 4.470 . 4.470 4.549 4.502 4.611 0.141 4 0 "[ . 1]" 1
399 1 82 TYR HA 1 85 LEU HB2 4.210 . 4.210 3.156 2.555 3.703 . 0 0 "[ . 1]" 1
400 1 82 TYR HA 1 85 LEU QD 3.550 . 3.550 2.827 2.270 3.744 0.194 7 0 "[ . 1]" 1
401 1 82 TYR QD 1 85 LEU QD 3.970 . 3.970 3.036 2.086 3.604 . 0 0 "[ . 1]" 1
402 1 83 ILE H 1 83 ILE HB 3.840 . 3.840 2.244 2.190 2.424 . 0 0 "[ . 1]" 1
403 1 83 ILE H 1 83 ILE MD 4.340 . 4.340 3.862 3.524 4.198 . 0 0 "[ . 1]" 1
404 1 83 ILE H 1 84 LEU H 3.980 . 3.980 2.862 2.724 2.975 . 0 0 "[ . 1]" 1
405 1 83 ILE HA 1 86 GLN H 4.150 . 4.150 3.308 3.136 3.477 . 0 0 "[ . 1]" 1
406 1 83 ILE HA 1 86 GLN QB 3.420 . 3.420 2.569 2.328 2.747 . 0 0 "[ . 1]" 1
407 1 83 ILE HB 1 84 LEU H 4.050 . 4.050 3.711 2.986 3.856 . 0 0 "[ . 1]" 1
408 1 83 ILE MD 1 83 ILE MG 3.400 . 3.400 2.634 1.967 3.237 . 0 0 "[ . 1]" 1
409 1 84 LEU H 1 84 LEU QB 3.540 . 3.540 2.397 2.367 2.430 . 0 0 "[ . 1]" 1
410 1 84 LEU H 1 84 LEU MD1 4.270 . 4.270 3.460 3.413 3.552 . 0 0 "[ . 1]" 1
411 1 84 LEU H 1 84 LEU QD 3.690 . 3.690 3.098 3.044 3.134 . 0 0 "[ . 1]" 1
412 1 84 LEU H 1 84 LEU MD2 4.270 . 4.270 3.505 3.362 3.649 . 0 0 "[ . 1]" 1
413 1 84 LEU H 1 84 LEU HG 3.790 . 3.790 2.247 2.128 2.340 . 0 0 "[ . 1]" 1
414 1 84 LEU H 1 85 LEU H 3.870 . 3.870 2.655 2.601 2.721 . 0 0 "[ . 1]" 1
415 1 84 LEU HA 1 84 LEU MD1 3.950 . 3.950 3.815 3.803 3.825 . 0 0 "[ . 1]" 1
416 1 84 LEU HA 1 84 LEU QD 3.200 . 3.200 2.149 2.109 2.178 . 0 0 "[ . 1]" 1
417 1 84 LEU HA 1 84 LEU MD2 3.950 . 3.950 2.160 2.119 2.190 . 0 0 "[ . 1]" 1
418 1 84 LEU HA 1 87 TYR HB2 3.720 . 3.720 3.653 3.306 3.803 0.083 2 0 "[ . 1]" 1
419 1 84 LEU HA 1 87 TYR QB 3.260 . 3.260 2.980 2.510 3.254 . 0 0 "[ . 1]" 1
420 1 84 LEU HA 1 87 TYR HB3 3.720 . 3.720 3.182 2.578 3.639 . 0 0 "[ . 1]" 1
421 1 84 LEU QB 1 84 LEU QD 1.560 . 1.560 1.898 1.890 1.908 0.348 7 0 "[ . 1]" 1
422 1 84 LEU HB2 1 84 LEU MD1 3.520 . 3.520 2.267 2.228 2.338 . 0 0 "[ . 1]" 1
423 1 84 LEU HB2 1 84 LEU MD2 3.520 . 3.520 3.208 3.201 3.212 . 0 0 "[ . 1]" 1
424 1 84 LEU HB3 1 84 LEU MD1 3.520 . 3.520 2.417 2.336 2.476 . 0 0 "[ . 1]" 1
425 1 84 LEU HB3 1 84 LEU MD2 3.520 . 3.520 2.235 2.210 2.263 . 0 0 "[ . 1]" 1
426 1 84 LEU QD 1 98 ASP HA 4.410 . 4.410 3.970 3.266 4.438 0.028 8 0 "[ . 1]" 1
427 1 84 LEU QD 1 101 GLN QE 2.750 . 2.750 2.401 1.569 2.829 0.079 6 0 "[ . 1]" 1
428 1 84 LEU QD 1 101 GLN QG 3.890 . 3.890 2.713 2.137 3.801 . 0 0 "[ . 1]" 1
429 1 85 LEU H 1 85 LEU HB3 3.770 . 3.770 3.268 2.495 3.572 . 0 0 "[ . 1]" 1
430 1 85 LEU H 1 85 LEU QD 3.310 . 3.310 2.555 1.826 3.705 0.395 6 0 "[ . 1]" 1
431 1 85 LEU HA 1 85 LEU QD 3.010 . 3.010 2.414 2.096 3.017 0.007 7 0 "[ . 1]" 1
432 1 85 LEU HA 1 85 LEU HG 3.710 . 3.710 2.494 2.310 3.033 . 0 0 "[ . 1]" 1
433 1 85 LEU HB2 1 86 GLN H 3.590 . 3.590 2.998 2.537 3.740 0.150 3 0 "[ . 1]" 1
434 1 85 LEU QD 1 86 GLN H 3.910 . 3.910 3.685 3.154 4.056 0.146 1 0 "[ . 1]" 1
435 1 86 GLN H 1 87 TYR H 3.740 . 3.740 2.717 2.589 2.811 . 0 0 "[ . 1]" 1
436 1 86 GLN HA 1 88 VAL H 4.650 . 4.650 4.635 4.527 4.698 0.048 2 0 "[ . 1]" 1
437 1 86 GLN HA 1 89 ASN H 4.120 . 4.120 3.601 3.392 3.861 . 0 0 "[ . 1]" 1
438 1 86 GLN HA 1 89 ASN QB 3.830 . 3.830 2.558 2.320 2.988 . 0 0 "[ . 1]" 1
439 1 87 TYR H 1 87 TYR HB2 3.510 . 3.510 2.598 2.541 2.638 . 0 0 "[ . 1]" 1
440 1 87 TYR H 1 87 TYR QB 3.050 . 3.050 2.248 2.231 2.261 . 0 0 "[ . 1]" 1
441 1 87 TYR H 1 87 TYR HB3 3.510 . 3.510 2.464 2.419 2.505 . 0 0 "[ . 1]" 1
442 1 87 TYR H 1 89 ASN H 4.090 . 4.090 4.128 4.062 4.197 0.107 7 0 "[ . 1]" 1
443 1 87 TYR QB 1 88 VAL H 4.050 . 4.050 2.402 2.339 2.429 . 0 0 "[ . 1]" 1
444 1 88 VAL H 1 88 VAL HB 3.350 . 3.350 2.621 2.398 3.601 0.251 4 0 "[ . 1]" 1
445 1 88 VAL H 1 88 VAL MG1 4.580 . 4.580 3.022 1.821 3.749 . 0 0 "[ . 1]" 1
446 1 88 VAL H 1 88 VAL QG 3.870 . 3.870 2.021 1.786 2.194 . 0 0 "[ . 1]" 1
447 1 88 VAL H 1 88 VAL MG2 4.580 . 4.580 2.612 1.881 3.763 . 0 0 "[ . 1]" 1
448 1 88 VAL H 1 89 ASN H 3.960 . 3.960 2.590 2.440 2.729 . 0 0 "[ . 1]" 1
449 1 88 VAL HA 1 88 VAL QG 2.940 . 2.940 2.167 2.078 2.298 . 0 0 "[ . 1]" 1
450 1 88 VAL HB 1 89 ASN H 4.120 . 4.120 3.076 2.428 4.023 . 0 0 "[ . 1]" 1
451 1 88 VAL QG 1 89 ASN H 4.180 . 4.180 2.668 1.905 3.163 . 0 0 "[ . 1]" 1
452 1 88 VAL QG 1 89 ASN HA 3.990 . 3.990 3.169 2.920 3.329 . 0 0 "[ . 1]" 1
453 1 88 VAL MG1 1 91 GLN H 5.500 . 5.500 4.991 4.531 5.393 . 0 0 "[ . 1]" 1
454 1 88 VAL MG2 1 91 GLN H 5.500 . 5.500 5.109 4.583 5.443 . 0 0 "[ . 1]" 1
455 1 89 ASN H 1 89 ASN QB 3.400 . 3.400 2.289 2.237 2.359 . 0 0 "[ . 1]" 1
456 1 89 ASN H 1 90 GLN H 3.790 . 3.790 2.764 2.661 2.831 . 0 0 "[ . 1]" 1
457 1 89 ASN QB 1 90 GLN H 3.740 . 3.740 2.540 2.480 2.596 . 0 0 "[ . 1]" 1
458 1 90 GLN H 1 90 GLN HB2 3.700 . 3.700 2.460 2.381 2.505 . 0 0 "[ . 1]" 1
459 1 90 GLN H 1 90 GLN QB 3.180 . 3.180 2.424 2.350 2.463 . 0 0 "[ . 1]" 1
460 1 90 GLN H 1 90 GLN HB3 3.700 . 3.700 3.664 3.617 3.698 . 0 0 "[ . 1]" 1
461 1 90 GLN H 1 90 GLN QG 3.850 . 3.850 2.633 2.334 2.810 . 0 0 "[ . 1]" 1
462 1 90 GLN H 1 91 GLN H 3.580 . 3.580 2.268 2.174 2.364 . 0 0 "[ . 1]" 1
463 1 90 GLN H 1 91 GLN HA 4.880 . 4.880 4.521 4.439 4.609 . 0 0 "[ . 1]" 1
464 1 90 GLN QB 1 91 GLN H 3.810 . 3.810 3.247 3.178 3.323 . 0 0 "[ . 1]" 1
465 1 90 GLN HB2 1 91 GLN H 4.430 . 4.430 3.392 3.316 3.490 . 0 0 "[ . 1]" 1
466 1 90 GLN HB3 1 91 GLN H 4.430 . 4.430 4.147 4.057 4.222 . 0 0 "[ . 1]" 1
467 1 91 GLN HA 1 91 GLN QB 2.610 . 2.610 2.403 2.375 2.456 . 0 0 "[ . 1]" 1
468 1 91 GLN HA 1 91 GLN QG 3.580 . 3.580 2.488 2.255 2.806 . 0 0 "[ . 1]" 1
469 1 93 VAL H 1 93 VAL HB 3.570 . 3.570 3.556 3.355 3.687 0.117 10 0 "[ . 1]" 1
470 1 93 VAL H 1 93 VAL QG 3.110 . 3.110 2.314 1.755 2.588 . 0 0 "[ . 1]" 1
471 1 93 VAL HA 1 93 VAL MG1 3.530 . 3.530 2.401 2.255 3.206 . 0 0 "[ . 1]" 1
472 1 93 VAL HA 1 93 VAL QG 3.070 . 3.070 2.145 2.062 2.301 . 0 0 "[ . 1]" 1
473 1 93 VAL HA 1 93 VAL MG2 3.530 . 3.530 2.546 2.341 3.200 . 0 0 "[ . 1]" 1
474 1 95 PRO HB2 1 96 ILE H 4.080 . 4.080 3.053 2.797 3.314 . 0 0 "[ . 1]" 1
475 1 95 PRO HB3 1 96 ILE H 4.080 . 4.080 3.752 3.658 3.857 . 0 0 "[ . 1]" 1
476 1 96 ILE H 1 96 ILE HB 3.820 . 3.820 2.510 2.403 2.570 . 0 0 "[ . 1]" 1
477 1 96 ILE H 1 96 ILE MD 4.370 . 4.370 3.673 3.005 3.995 . 0 0 "[ . 1]" 1
478 1 96 ILE H 1 96 ILE QG 3.940 . 3.940 2.579 2.101 2.889 . 0 0 "[ . 1]" 1
479 1 96 ILE HA 1 96 ILE MD 4.340 . 4.340 3.482 2.118 3.834 . 0 0 "[ . 1]" 1
480 1 96 ILE HA 1 97 GLU H 3.040 . 3.040 2.227 2.173 2.296 . 0 0 "[ . 1]" 1
481 1 96 ILE HB 1 101 GLN QE 4.270 . 4.270 2.996 1.764 4.206 . 0 0 "[ . 1]" 1
482 1 96 ILE MD 1 101 GLN QE 4.990 . 4.990 4.166 2.987 5.025 0.035 10 0 "[ . 1]" 1
483 1 97 GLU H 1 97 GLU QG 4.100 . 4.100 2.852 1.733 4.054 . 0 0 "[ . 1]" 1
484 1 97 GLU H 1 98 ASP H 4.540 . 4.540 4.590 4.497 4.629 0.089 5 0 "[ . 1]" 1
485 1 97 GLU H 1 100 ALA MB 4.300 . 4.300 3.581 2.896 4.284 . 0 0 "[ . 1]" 1
486 1 97 GLU HA 1 98 ASP H 2.900 . 2.900 2.199 2.128 2.280 . 0 0 "[ . 1]" 1
487 1 97 GLU QG 1 99 GLU H 4.330 . 4.330 2.825 1.759 4.490 0.160 6 0 "[ . 1]" 1
488 1 97 GLU QG 1 100 ALA H 3.840 . 3.840 2.554 1.743 3.960 0.120 6 0 "[ . 1]" 1
489 1 97 GLU QG 1 100 ALA MB 3.580 . 3.580 2.736 1.905 3.718 0.138 5 0 "[ . 1]" 1
490 1 98 ASP H 1 98 ASP QB 3.180 . 3.180 2.265 2.223 2.342 . 0 0 "[ . 1]" 1
491 1 98 ASP H 1 99 GLU QG 4.000 . 4.000 4.062 3.985 4.133 0.133 5 0 "[ . 1]" 1
492 1 98 ASP H 1 100 ALA H 4.560 . 4.560 4.084 3.960 4.205 . 0 0 "[ . 1]" 1
493 1 98 ASP H 1 100 ALA MB 4.970 . 4.970 5.029 4.855 5.127 0.157 3 0 "[ . 1]" 1
494 1 98 ASP HA 1 101 GLN QE 3.730 . 3.730 3.018 2.195 3.657 . 0 0 "[ . 1]" 1
495 1 98 ASP HA 1 101 GLN QG 4.360 . 4.360 3.787 2.384 4.412 0.052 1 0 "[ . 1]" 1
496 1 98 ASP QB 1 99 GLU H 3.360 . 3.360 2.712 2.487 3.166 . 0 0 "[ . 1]" 1
497 1 98 ASP QB 1 99 GLU HA 4.300 . 4.300 4.046 3.851 4.169 . 0 0 "[ . 1]" 1
498 1 98 ASP QB 1 100 ALA H 4.880 . 4.880 4.557 4.293 4.804 . 0 0 "[ . 1]" 1
499 1 99 GLU H 1 99 GLU QG 3.940 . 3.940 2.154 2.042 2.386 . 0 0 "[ . 1]" 1
500 1 99 GLU H 1 100 ALA H 3.760 . 3.760 2.609 2.381 2.748 . 0 0 "[ . 1]" 1
501 1 99 GLU H 1 100 ALA MB 4.470 . 4.470 4.306 3.937 4.419 . 0 0 "[ . 1]" 1
502 1 99 GLU QB 1 100 ALA H 4.120 . 4.120 2.977 2.553 3.741 . 0 0 "[ . 1]" 1
503 1 99 GLU QG 1 100 ALA H 4.300 . 4.300 3.766 2.108 4.237 . 0 0 "[ . 1]" 1
504 1 100 ALA H 1 100 ALA MB 3.320 . 3.320 2.279 2.227 2.377 . 0 0 "[ . 1]" 1
505 1 100 ALA H 1 101 GLN H 3.390 . 3.390 2.288 2.090 2.427 . 0 0 "[ . 1]" 1
506 1 100 ALA H 1 101 GLN QE 5.000 . 5.000 5.067 4.961 5.205 0.205 10 0 "[ . 1]" 1
507 1 100 ALA HA 1 105 TYR HB3 4.260 . 4.260 3.104 2.386 3.771 . 0 0 "[ . 1]" 1
508 1 100 ALA MB 1 105 TYR HB2 4.090 . 4.090 4.002 3.816 4.347 0.257 2 0 "[ . 1]" 1
509 1 100 ALA MB 1 105 TYR HB3 4.040 . 4.040 3.774 2.931 4.089 0.049 7 0 "[ . 1]" 1
510 1 100 ALA MB 1 105 TYR QD 4.520 . 4.520 4.139 3.381 4.645 0.125 2 0 "[ . 1]" 1
511 1 100 ALA MB 1 106 TRP HE1 3.880 . 3.880 2.046 1.780 2.525 . 0 0 "[ . 1]" 1
512 1 101 GLN H 1 101 GLN QE 4.450 . 4.450 3.734 3.294 4.471 0.021 2 0 "[ . 1]" 1
513 1 101 GLN H 1 101 GLN QG 3.870 . 3.870 3.809 2.207 4.035 0.165 9 0 "[ . 1]" 1
514 1 101 GLN HA 1 101 GLN QE 5.140 . 5.140 3.049 2.287 4.713 . 0 0 "[ . 1]" 1
515 1 101 GLN HA 1 101 GLN QG 3.710 . 3.710 2.598 2.284 2.850 . 0 0 "[ . 1]" 1
516 1 104 ASN H 1 104 ASN QB 3.460 . 3.460 2.413 2.248 2.691 . 0 0 "[ . 1]" 1
517 1 104 ASN H 1 105 TYR H 3.710 . 3.710 2.632 2.522 2.689 . 0 0 "[ . 1]" 1
518 1 104 ASN H 1 105 TYR HA 5.450 . 5.450 5.208 4.979 5.280 . 0 0 "[ . 1]" 1
519 1 104 ASN H 1 105 TYR HB2 4.660 . 4.660 4.610 4.242 4.727 0.067 5 0 "[ . 1]" 1
520 1 104 ASN H 1 105 TYR QD 4.280 . 4.280 3.643 2.912 4.317 0.037 9 0 "[ . 1]" 1
521 1 104 ASN QB 1 105 TYR H 4.670 . 4.670 2.920 2.668 3.942 . 0 0 "[ . 1]" 1
522 1 104 ASN QB 1 106 TRP H 5.130 . 5.130 4.851 4.815 4.897 . 0 0 "[ . 1]" 1
523 1 105 TYR H 1 105 TYR HB2 3.710 . 3.710 2.291 2.229 2.378 . 0 0 "[ . 1]" 1
524 1 105 TYR H 1 105 TYR HB3 3.760 . 3.760 3.562 3.530 3.622 . 0 0 "[ . 1]" 1
525 1 105 TYR H 1 105 TYR QD 3.860 . 3.860 2.257 1.923 2.740 . 0 0 "[ . 1]" 1
526 1 105 TYR H 1 106 TRP H 3.380 . 3.380 2.569 2.362 2.698 . 0 0 "[ . 1]" 1
527 1 105 TYR H 1 148 ILE QG 5.150 . 5.150 5.015 4.750 5.217 0.067 2 0 "[ . 1]" 1
528 1 105 TYR HA 1 105 TYR QD 4.260 . 4.260 2.894 2.485 3.052 . 0 0 "[ . 1]" 1
529 1 105 TYR HA 1 143 ALA MB 4.530 . 4.530 3.686 2.291 4.577 0.047 6 0 "[ . 1]" 1
530 1 105 TYR HA 1 148 ILE QG 4.070 . 4.070 3.283 2.351 4.147 0.077 10 0 "[ . 1]" 1
531 1 105 TYR HA 1 148 ILE MG 3.470 . 3.470 3.547 3.387 3.672 0.202 2 0 "[ . 1]" 1
532 1 105 TYR HB2 1 106 TRP HE1 5.110 . 5.110 3.832 2.773 4.245 . 0 0 "[ . 1]" 1
533 1 105 TYR HB3 1 106 TRP HE1 4.160 . 4.160 3.364 2.799 4.255 0.095 8 0 "[ . 1]" 1
534 1 106 TRP H 1 106 TRP HB2 3.880 . 3.880 2.646 2.527 2.774 . 0 0 "[ . 1]" 1
535 1 106 TRP H 1 106 TRP HB3 3.880 . 3.880 3.772 3.722 3.846 . 0 0 "[ . 1]" 1
536 1 106 TRP H 1 140 LEU QD 5.190 . 5.190 4.560 4.378 4.892 . 0 0 "[ . 1]" 1
537 1 106 TRP HA 1 107 ASN H 3.330 . 3.330 2.271 2.131 2.429 . 0 0 "[ . 1]" 1
538 1 106 TRP HA 1 142 LYS HA 4.170 . 4.170 3.776 2.279 4.320 0.150 6 0 "[ . 1]" 1
539 1 106 TRP HA 1 143 ALA H 3.400 . 3.400 3.061 1.706 3.484 0.084 10 0 "[ . 1]" 1
540 1 106 TRP HA 1 143 ALA MB 4.220 . 4.220 2.708 2.508 2.935 . 0 0 "[ . 1]" 1
541 1 106 TRP QB 1 140 LEU QD 1.570 . 1.570 1.944 1.881 2.055 0.485 2 0 "[ . 1]" 1
542 1 106 TRP QB 1 140 LEU HG 4.280 . 4.280 3.155 2.633 4.467 0.187 6 0 "[ . 1]" 1
543 1 106 TRP QB 1 143 ALA MB 4.150 . 4.150 4.191 3.996 4.307 0.157 2 0 "[ . 1]" 1
544 1 106 TRP HB2 1 140 LEU MD1 3.520 . 3.520 2.909 2.224 3.683 0.163 1 0 "[ . 1]" 1
545 1 106 TRP HB2 1 140 LEU MD2 3.520 . 3.520 3.289 2.501 3.548 0.028 4 0 "[ . 1]" 1
546 1 106 TRP HB3 1 140 LEU MD1 3.520 . 3.520 2.348 2.038 3.388 . 0 0 "[ . 1]" 1
547 1 106 TRP HB3 1 140 LEU MD2 3.520 . 3.520 2.504 2.007 3.177 . 0 0 "[ . 1]" 1
548 1 107 ASN H 1 107 ASN QB 3.590 . 3.590 2.377 2.299 2.481 . 0 0 "[ . 1]" 1
549 1 107 ASN H 1 141 VAL H 4.400 . 4.400 3.388 3.163 3.824 . 0 0 "[ . 1]" 1
550 1 107 ASN H 1 141 VAL QG 4.060 . 4.060 3.098 2.920 3.478 . 0 0 "[ . 1]" 1
551 1 107 ASN H 1 142 LYS HA 4.390 . 4.390 3.873 2.780 4.299 . 0 0 "[ . 1]" 1
552 1 107 ASN HA 1 108 LEU H 3.440 . 3.440 2.306 2.181 2.378 . 0 0 "[ . 1]" 1
553 1 107 ASN QB 1 108 LEU H 4.060 . 4.060 2.744 2.611 2.936 . 0 0 "[ . 1]" 1
554 1 107 ASN QB 1 108 LEU HA 4.290 . 4.290 4.206 4.176 4.252 . 0 0 "[ . 1]" 1
555 1 107 ASN QB 1 141 VAL QG 1.560 . 1.560 1.917 1.830 1.952 0.392 2 0 "[ . 1]" 1
556 1 107 ASN HB2 1 141 VAL MG1 3.520 . 3.520 2.597 2.212 3.996 0.476 5 0 "[ . 1]" 1
557 1 107 ASN HB2 1 141 VAL MG2 3.520 . 3.520 3.022 1.984 3.429 . 0 0 "[ . 1]" 1
558 1 107 ASN HB3 1 141 VAL MG1 3.520 . 3.520 2.486 2.098 3.882 0.362 5 0 "[ . 1]" 1
559 1 107 ASN HB3 1 141 VAL MG2 3.520 . 3.520 3.420 2.156 3.790 0.270 2 0 "[ . 1]" 1
560 1 108 LEU H 1 108 LEU HB2 4.130 . 4.130 2.582 2.385 2.863 . 0 0 "[ . 1]" 1
561 1 108 LEU H 1 108 LEU QB 3.390 . 3.390 2.405 2.354 2.452 . 0 0 "[ . 1]" 1
562 1 108 LEU H 1 108 LEU HB3 4.130 . 4.130 3.246 2.590 3.679 . 0 0 "[ . 1]" 1
563 1 108 LEU H 1 140 LEU QD 4.300 . 4.300 4.195 3.828 4.468 0.168 10 0 "[ . 1]" 1
564 1 108 LEU H 1 141 VAL QG 4.140 . 4.140 3.451 3.256 3.959 . 0 0 "[ . 1]" 1
565 1 108 LEU HA 1 108 LEU QD 3.260 . 3.260 2.407 2.154 2.767 . 0 0 "[ . 1]" 1
566 1 108 LEU HA 1 109 ARG H 3.420 . 3.420 2.139 2.099 2.182 . 0 0 "[ . 1]" 1
567 1 108 LEU HA 1 141 VAL QG 3.740 . 3.740 2.913 2.603 3.582 . 0 0 "[ . 1]" 1
568 1 108 LEU QB 1 108 LEU QD 1.560 . 1.560 1.895 1.888 1.902 0.342 4 0 "[ . 1]" 1
569 1 108 LEU QB 1 109 ARG H 4.390 . 4.390 3.487 3.084 3.840 . 0 0 "[ . 1]" 1
570 1 108 LEU HB2 1 108 LEU MD1 3.520 . 3.520 2.223 2.189 2.277 . 0 0 "[ . 1]" 1
571 1 108 LEU HB2 1 108 LEU MD2 3.520 . 3.520 2.625 2.404 3.209 . 0 0 "[ . 1]" 1
572 1 108 LEU HB3 1 108 LEU MD1 3.520 . 3.520 3.047 2.421 3.201 . 0 0 "[ . 1]" 1
573 1 108 LEU HB3 1 108 LEU MD2 3.520 . 3.520 2.236 2.195 2.285 . 0 0 "[ . 1]" 1
574 1 108 LEU QD 1 141 VAL H 5.200 . 5.200 4.123 3.814 4.603 . 0 0 "[ . 1]" 1
575 1 109 ARG H 1 109 ARG QD 4.840 . 4.840 4.887 4.698 4.979 0.139 4 0 "[ . 1]" 1
576 1 109 ARG H 1 139 ALA H 4.220 . 4.220 2.996 2.483 3.397 . 0 0 "[ . 1]" 1
577 1 109 ARG H 1 139 ALA MB 4.900 . 4.900 3.640 3.504 3.839 . 0 0 "[ . 1]" 1
578 1 109 ARG H 1 141 VAL QG 4.350 . 4.350 2.423 2.212 2.843 . 0 0 "[ . 1]" 1
579 1 109 ARG HA 1 109 ARG QD 3.920 . 3.920 4.025 3.855 4.212 0.292 6 0 "[ . 1]" 1
580 1 109 ARG HA 1 110 ILE H 3.520 . 3.520 2.222 2.135 2.333 . 0 0 "[ . 1]" 1
581 1 109 ARG HA 1 141 VAL QG 4.920 . 4.920 3.300 2.963 3.758 . 0 0 "[ . 1]" 1
582 1 109 ARG QB 1 110 ILE H 4.240 . 4.240 3.529 3.340 3.624 . 0 0 "[ . 1]" 1
583 1 109 ARG QB 1 141 VAL QG 1.560 . 1.560 1.914 1.814 1.986 0.426 6 0 "[ . 1]" 1
584 1 109 ARG HB2 1 141 VAL MG1 3.520 . 3.520 2.065 2.001 2.162 . 0 0 "[ . 1]" 1
585 1 109 ARG HB2 1 141 VAL MG2 3.520 . 3.520 2.995 2.611 3.350 . 0 0 "[ . 1]" 1
586 1 109 ARG HB3 1 141 VAL MG1 3.520 . 3.520 2.460 2.054 2.757 . 0 0 "[ . 1]" 1
587 1 109 ARG HB3 1 141 VAL MG2 3.520 . 3.520 3.752 3.570 3.848 0.328 3 0 "[ . 1]" 1
588 1 109 ARG QD 1 141 VAL HB 4.200 . 4.200 3.325 2.858 4.253 0.053 8 0 "[ . 1]" 1
589 1 109 ARG QD 1 141 VAL QG 3.670 . 3.670 2.765 2.250 3.285 . 0 0 "[ . 1]" 1
590 1 110 ILE H 1 110 ILE HB 3.510 . 3.510 2.595 2.500 2.654 . 0 0 "[ . 1]" 1
591 1 110 ILE H 1 110 ILE MG 4.080 . 4.080 1.915 1.810 2.045 . 0 0 "[ . 1]" 1
592 1 110 ILE H 1 111 VAL H 4.620 . 4.620 4.599 4.572 4.631 0.011 10 0 "[ . 1]" 1
593 1 110 ILE HA 1 110 ILE MD 4.340 . 4.340 3.534 2.106 3.723 . 0 0 "[ . 1]" 1
594 1 110 ILE HA 1 110 ILE QG 3.710 . 3.710 2.375 2.267 2.948 . 0 0 "[ . 1]" 1
595 1 110 ILE HA 1 111 VAL H 3.330 . 3.330 2.231 2.157 2.305 . 0 0 "[ . 1]" 1
596 1 110 ILE HB 1 111 VAL H 4.280 . 4.280 4.014 3.913 4.154 . 0 0 "[ . 1]" 1
597 1 110 ILE MD 1 118 ASP QB 4.720 . 4.720 4.727 4.596 4.916 0.196 1 0 "[ . 1]" 1
598 1 110 ILE QG 1 111 VAL H 4.480 . 4.480 2.229 2.035 2.581 . 0 0 "[ . 1]" 1
599 1 110 ILE MG 1 111 VAL H 3.720 . 3.720 3.661 3.563 3.792 0.072 1 0 "[ . 1]" 1
600 1 110 ILE MG 1 118 ASP HA 5.170 . 5.170 4.906 4.494 5.194 0.024 4 0 "[ . 1]" 1
601 1 110 ILE MG 1 118 ASP HB2 4.220 . 4.220 2.713 2.169 3.277 . 0 0 "[ . 1]" 1
602 1 110 ILE MG 1 118 ASP HB3 4.220 . 4.220 3.354 2.058 4.073 . 0 0 "[ . 1]" 1
603 1 111 VAL H 1 111 VAL QG 3.460 . 3.460 2.204 1.895 2.699 . 0 0 "[ . 1]" 1
604 1 111 VAL H 1 138 PHE HA 4.220 . 4.220 3.169 2.712 3.650 . 0 0 "[ . 1]" 1
605 1 111 VAL HA 1 112 GLU H 3.420 . 3.420 2.253 2.202 2.354 . 0 0 "[ . 1]" 1
606 1 111 VAL HA 1 118 ASP H 4.510 . 4.510 3.829 3.205 4.552 0.042 7 0 "[ . 1]" 1
607 1 111 VAL HB 1 112 GLU H 4.030 . 4.030 3.365 2.542 4.060 0.030 5 0 "[ . 1]" 1
608 1 111 VAL HB 1 115 GLY HA2 5.090 . 5.090 4.026 2.353 5.128 0.038 7 0 "[ . 1]" 1
609 1 111 VAL QG 1 112 GLU H 3.560 . 3.560 2.752 2.223 3.342 . 0 0 "[ . 1]" 1
610 1 111 VAL QG 1 115 GLY H 4.050 . 4.050 3.640 2.959 4.100 0.050 3 0 "[ . 1]" 1
611 1 111 VAL QG 1 115 GLY HA2 3.720 . 3.720 2.739 2.114 3.442 . 0 0 "[ . 1]" 1
612 1 111 VAL QG 1 116 GLU H 4.580 . 4.580 4.130 3.155 4.637 0.057 10 0 "[ . 1]" 1
613 1 111 VAL QG 1 137 ALA MB 3.790 . 3.790 2.959 2.292 3.768 . 0 0 "[ . 1]" 1
614 1 111 VAL QG 1 138 PHE HA 3.330 . 3.330 2.563 2.276 2.764 . 0 0 "[ . 1]" 1
615 1 111 VAL QG 1 138 PHE HB2 4.730 . 4.730 4.718 4.460 4.842 0.112 7 0 "[ . 1]" 1
616 1 111 VAL QG 1 139 ALA H 3.920 . 3.920 2.983 2.605 3.363 . 0 0 "[ . 1]" 1
617 1 111 VAL QG 1 139 ALA HA 3.790 . 3.790 3.580 3.241 3.819 0.029 1 0 "[ . 1]" 1
618 1 111 VAL MG1 1 112 GLU H 4.290 . 4.290 3.424 2.293 4.061 . 0 0 "[ . 1]" 1
619 1 111 VAL MG1 1 115 GLY HA2 4.550 . 4.550 3.630 2.306 4.532 . 0 0 "[ . 1]" 1
620 1 111 VAL MG2 1 112 GLU H 4.290 . 4.290 3.353 2.236 3.951 . 0 0 "[ . 1]" 1
621 1 111 VAL MG2 1 115 GLY HA2 4.550 . 4.550 3.466 2.124 4.585 0.035 8 0 "[ . 1]" 1
622 1 112 GLU H 1 112 GLU QB 3.340 . 3.340 2.350 2.237 2.393 . 0 0 "[ . 1]" 1
623 1 112 GLU H 1 115 GLY H 4.440 . 4.440 3.701 3.366 4.041 . 0 0 "[ . 1]" 1
624 1 112 GLU H 1 117 LEU HA 4.300 . 4.300 4.219 3.872 4.345 0.045 1 0 "[ . 1]" 1
625 1 112 GLU H 1 118 ASP H 5.500 . 5.500 5.103 4.183 5.555 0.055 9 0 "[ . 1]" 1
626 1 112 GLU HA 1 113 ASP H 3.230 . 3.230 2.486 2.325 2.661 . 0 0 "[ . 1]" 1
627 1 112 GLU QB 1 113 ASP H 3.330 . 3.330 2.368 1.843 3.365 0.035 4 0 "[ . 1]" 1
628 1 112 GLU QB 1 114 ASP H 3.790 . 3.790 2.506 2.311 2.989 . 0 0 "[ . 1]" 1
629 1 112 GLU HB2 1 113 ASP H 3.980 . 3.980 3.540 3.083 4.021 0.041 4 0 "[ . 1]" 1
630 1 112 GLU HB3 1 113 ASP H 3.980 . 3.980 2.434 1.858 3.609 . 0 0 "[ . 1]" 1
631 1 112 GLU QG 1 113 ASP H 3.760 . 3.760 3.371 1.884 3.992 0.232 9 0 "[ . 1]" 1
632 1 112 GLU QG 1 114 ASP H 4.380 . 4.380 3.957 1.908 4.523 0.143 10 0 "[ . 1]" 1
633 1 113 ASP H 1 113 ASP QB 3.300 . 3.300 2.311 2.209 2.577 . 0 0 "[ . 1]" 1
634 1 113 ASP H 1 114 ASP H 3.980 . 3.980 2.572 2.475 2.730 . 0 0 "[ . 1]" 1
635 1 113 ASP H 1 115 GLY H 4.470 . 4.470 3.927 3.786 4.102 . 0 0 "[ . 1]" 1
636 1 113 ASP H 1 116 GLU H 5.290 . 5.290 5.117 4.790 5.249 . 0 0 "[ . 1]" 1
637 1 113 ASP HA 1 114 ASP H 3.540 . 3.540 3.474 3.400 3.525 . 0 0 "[ . 1]" 1
638 1 113 ASP QB 1 114 ASP H 3.550 . 3.550 2.924 2.668 3.570 0.020 1 0 "[ . 1]" 1
639 1 114 ASP H 1 114 ASP QB 3.630 . 3.630 2.373 2.277 2.716 . 0 0 "[ . 1]" 1
640 1 114 ASP H 1 116 GLU H 4.360 . 4.360 3.484 3.311 3.545 . 0 0 "[ . 1]" 1
641 1 114 ASP H 1 116 GLU QB 4.530 . 4.530 4.423 4.033 4.553 0.023 4 0 "[ . 1]" 1
642 1 115 GLY H 1 116 GLU H 3.570 . 3.570 2.399 2.316 2.470 . 0 0 "[ . 1]" 1
643 1 116 GLU H 1 116 GLU QB 3.140 . 3.140 2.337 2.219 2.415 . 0 0 "[ . 1]" 1
644 1 116 GLU H 1 116 GLU HG2 4.280 . 4.280 3.533 2.262 4.414 0.134 8 0 "[ . 1]" 1
645 1 116 GLU H 1 116 GLU QG 3.650 . 3.650 2.650 2.200 3.902 0.252 10 0 "[ . 1]" 1
646 1 116 GLU H 1 116 GLU HG3 4.280 . 4.280 3.030 2.223 4.390 0.110 10 0 "[ . 1]" 1
647 1 116 GLU H 1 117 LEU H 4.530 . 4.530 4.581 4.555 4.618 0.088 3 0 "[ . 1]" 1
648 1 116 GLU HA 1 116 GLU HG2 3.730 . 3.730 2.670 2.433 3.061 . 0 0 "[ . 1]" 1
649 1 116 GLU HA 1 116 GLU QG 3.200 . 3.200 2.424 2.298 2.853 . 0 0 "[ . 1]" 1
650 1 116 GLU HA 1 116 GLU HG3 3.730 . 3.730 2.942 2.384 3.712 . 0 0 "[ . 1]" 1
651 1 116 GLU HA 1 117 LEU H 2.920 . 2.920 2.206 2.169 2.311 . 0 0 "[ . 1]" 1
652 1 116 GLU QB 1 117 LEU H 3.650 . 3.650 3.067 2.572 3.694 0.044 10 0 "[ . 1]" 1
653 1 117 LEU H 1 117 LEU HB2 3.730 . 3.730 2.544 2.507 2.587 . 0 0 "[ . 1]" 1
654 1 117 LEU H 1 117 LEU QB 3.160 . 3.160 2.500 2.464 2.541 . 0 0 "[ . 1]" 1
655 1 117 LEU H 1 117 LEU HB3 3.730 . 3.730 3.675 3.599 3.719 . 0 0 "[ . 1]" 1
656 1 117 LEU H 1 117 LEU HG 3.550 . 3.550 2.422 2.074 2.702 . 0 0 "[ . 1]" 1
657 1 117 LEU H 1 118 ASP H 4.630 . 4.630 4.462 4.337 4.609 . 0 0 "[ . 1]" 1
658 1 117 LEU HA 1 117 LEU QD 3.650 . 3.650 2.120 2.101 2.167 . 0 0 "[ . 1]" 1
659 1 117 LEU HA 1 117 LEU HG 3.690 . 3.690 3.093 2.998 3.152 . 0 0 "[ . 1]" 1
660 1 117 LEU HA 1 118 ASP H 3.160 . 3.160 2.166 2.123 2.218 . 0 0 "[ . 1]" 1
661 1 117 LEU HA 1 118 ASP QB 4.890 . 4.890 4.250 4.034 4.383 . 0 0 "[ . 1]" 1
662 1 117 LEU QB 1 118 ASP H 3.740 . 3.740 3.172 2.904 3.364 . 0 0 "[ . 1]" 1
663 1 117 LEU HB2 1 118 ASP H 4.440 . 4.440 4.150 3.953 4.269 . 0 0 "[ . 1]" 1
664 1 117 LEU HB3 1 118 ASP H 4.440 . 4.440 3.293 2.988 3.521 . 0 0 "[ . 1]" 1
665 1 117 LEU QD 1 118 ASP H 4.000 . 4.000 3.548 3.420 3.709 . 0 0 "[ . 1]" 1
666 1 118 ASP H 1 118 ASP HB2 3.790 . 3.790 2.462 2.340 2.682 . 0 0 "[ . 1]" 1
667 1 118 ASP H 1 118 ASP QB 3.330 . 3.330 2.347 2.312 2.368 . 0 0 "[ . 1]" 1
668 1 118 ASP H 1 118 ASP HB3 3.790 . 3.790 3.314 2.581 3.634 . 0 0 "[ . 1]" 1
669 1 118 ASP HA 1 119 GLU H 3.440 . 3.440 2.205 2.162 2.254 . 0 0 "[ . 1]" 1
670 1 118 ASP HA 1 120 ASP H 4.370 . 4.370 3.390 3.131 4.229 . 0 0 "[ . 1]" 1
671 1 118 ASP QB 1 119 GLU H 4.320 . 4.320 3.648 2.789 3.997 . 0 0 "[ . 1]" 1
672 1 118 ASP QB 1 120 ASP H 4.410 . 4.410 3.423 2.726 4.245 . 0 0 "[ . 1]" 1
673 1 118 ASP QB 1 121 PHE H 4.050 . 4.050 3.413 2.694 3.999 . 0 0 "[ . 1]" 1
674 1 119 GLU H 1 119 GLU HB2 3.730 . 3.730 2.631 2.378 3.618 . 0 0 "[ . 1]" 1
675 1 119 GLU H 1 119 GLU HB3 3.730 . 3.730 3.001 2.537 3.609 . 0 0 "[ . 1]" 1
676 1 119 GLU H 1 120 ASP H 3.590 . 3.590 2.452 2.323 2.771 . 0 0 "[ . 1]" 1
677 1 119 GLU H 1 121 PHE H 4.670 . 4.670 4.257 3.852 4.578 . 0 0 "[ . 1]" 1
678 1 119 GLU HA 1 119 GLU QG 3.910 . 3.910 2.433 2.286 3.448 . 0 0 "[ . 1]" 1
679 1 119 GLU QB 1 120 ASP H 4.280 . 4.280 3.168 2.609 3.857 . 0 0 "[ . 1]" 1
680 1 120 ASP H 1 121 PHE H 3.450 . 3.450 2.589 2.443 2.689 . 0 0 "[ . 1]" 1
681 1 120 ASP QB 1 121 PHE H 3.960 . 3.960 3.405 2.898 3.848 . 0 0 "[ . 1]" 1
682 1 122 PRO HA 1 123 ALA H 3.110 . 3.110 2.324 2.229 2.453 . 0 0 "[ . 1]" 1
683 1 122 PRO HB2 1 123 ALA H 4.100 . 4.100 3.318 2.643 3.773 . 0 0 "[ . 1]" 1
684 1 122 PRO HB2 1 124 LEU H 4.670 . 4.670 4.884 4.802 4.956 0.286 5 0 "[ . 1]" 1
685 1 122 PRO HB3 1 123 ALA H 3.550 . 3.550 3.371 2.984 3.607 0.057 7 0 "[ . 1]" 1
686 1 123 ALA H 1 123 ALA MB 3.100 . 3.100 2.379 2.192 2.493 . 0 0 "[ . 1]" 1
687 1 123 ALA H 1 124 LEU H 5.010 . 5.010 4.290 4.190 4.402 . 0 0 "[ . 1]" 1
688 1 123 ALA HA 1 124 LEU H 3.210 . 3.210 2.116 2.074 2.135 . 0 0 "[ . 1]" 1
689 1 123 ALA HA 1 124 LEU QD 3.970 . 3.970 3.529 2.881 3.994 0.024 9 0 "[ . 1]" 1
690 1 123 ALA MB 1 124 LEU H 3.600 . 3.600 3.289 3.241 3.327 . 0 0 "[ . 1]" 1
691 1 124 LEU H 1 124 LEU QD 3.820 . 3.820 2.189 1.604 2.623 . 0 0 "[ . 1]" 1
692 1 124 LEU HA 1 124 LEU MD1 4.090 . 4.090 3.249 2.099 3.834 . 0 0 "[ . 1]" 1
693 1 124 LEU HA 1 124 LEU QD 3.120 . 3.120 2.191 1.996 2.628 . 0 0 "[ . 1]" 1
694 1 124 LEU HA 1 124 LEU MD2 4.090 . 4.090 2.516 2.091 3.696 . 0 0 "[ . 1]" 1
695 1 124 LEU HA 1 125 ASP H 3.080 . 3.080 3.261 3.126 3.393 0.313 4 0 "[ . 1]" 1
696 1 124 LEU HA 1 125 ASP QB 4.640 . 4.640 4.254 4.187 4.319 . 0 0 "[ . 1]" 1
697 1 124 LEU QB 1 125 ASP H 3.770 . 3.770 1.717 1.679 1.758 . 0 0 "[ . 1]" 1
698 1 124 LEU QD 1 125 ASP H 3.770 . 3.770 3.353 3.290 3.505 . 0 0 "[ . 1]" 1
699 1 124 LEU MD1 1 125 ASP H 4.600 . 4.600 3.725 3.538 4.080 . 0 0 "[ . 1]" 1
700 1 124 LEU MD2 1 125 ASP H 4.600 . 4.600 3.857 3.560 4.035 . 0 0 "[ . 1]" 1
701 1 125 ASP H 1 125 ASP QB 3.140 . 3.140 3.177 3.089 3.228 0.088 6 0 "[ . 1]" 1
702 1 125 ASP HA 1 127 VAL H 4.350 . 4.350 4.199 3.962 4.443 0.093 10 0 "[ . 1]" 1
703 1 125 ASP QB 1 126 ARG H 4.110 . 4.110 2.459 1.931 2.701 . 0 0 "[ . 1]" 1
704 1 125 ASP QB 1 126 ARG QB 4.320 . 4.320 3.901 3.507 4.386 0.066 7 0 "[ . 1]" 1
705 1 125 ASP QB 1 127 VAL H 4.430 . 4.430 2.518 2.442 2.576 . 0 0 "[ . 1]" 1
706 1 125 ASP QB 1 127 VAL QG 3.480 . 3.480 2.364 2.210 2.729 . 0 0 "[ . 1]" 1
707 1 125 ASP QB 1 128 GLY H 4.250 . 4.250 4.050 3.721 4.410 0.160 5 0 "[ . 1]" 1
708 1 126 ARG H 1 126 ARG QB 3.300 . 3.300 2.265 2.209 2.422 . 0 0 "[ . 1]" 1
709 1 126 ARG H 1 127 VAL H 3.800 . 3.800 2.770 2.616 2.893 . 0 0 "[ . 1]" 1
710 1 126 ARG H 1 127 VAL QG 4.910 . 4.910 3.666 3.238 4.059 . 0 0 "[ . 1]" 1
711 1 126 ARG H 1 128 GLY H 4.510 . 4.510 4.284 4.019 4.517 0.007 1 0 "[ . 1]" 1
712 1 126 ARG QB 1 127 VAL H 4.000 . 4.000 3.174 2.700 3.602 . 0 0 "[ . 1]" 1
713 1 127 VAL H 1 127 VAL HB 4.050 . 4.050 3.123 2.567 3.629 . 0 0 "[ . 1]" 1
714 1 127 VAL H 1 127 VAL MG1 3.940 . 3.940 1.947 1.817 2.235 . 0 0 "[ . 1]" 1
715 1 127 VAL H 1 127 VAL QG 3.010 . 3.010 1.836 1.759 1.964 . 0 0 "[ . 1]" 1
716 1 127 VAL H 1 127 VAL MG2 3.940 . 3.940 2.915 1.887 3.768 . 0 0 "[ . 1]" 1
717 1 127 VAL HA 1 127 VAL MG1 3.560 . 3.560 2.811 2.341 3.200 . 0 0 "[ . 1]" 1
718 1 127 VAL HA 1 127 VAL QG 2.870 . 2.870 2.299 2.204 2.422 . 0 0 "[ . 1]" 1
719 1 127 VAL HA 1 127 VAL MG2 3.560 . 3.560 2.739 2.247 3.197 . 0 0 "[ . 1]" 1
720 1 127 VAL QG 1 128 GLY H 3.640 . 3.640 2.554 2.279 2.879 . 0 0 "[ . 1]" 1
721 1 127 VAL QG 1 128 GLY QA 2.750 . 2.750 2.962 2.868 3.101 0.351 4 0 "[ . 1]" 1
722 1 129 PRO HA 1 130 LEU H 3.430 . 3.430 2.148 2.049 2.227 . 0 0 "[ . 1]" 1
723 1 129 PRO HA 1 130 LEU HB2 5.040 . 5.040 4.464 4.117 5.534 0.494 6 0 "[ . 1]" 1
724 1 129 PRO HA 1 130 LEU QB 4.330 . 4.330 4.072 3.962 4.527 0.197 8 0 "[ . 1]" 1
725 1 129 PRO HA 1 130 LEU HB3 5.040 . 5.040 4.928 4.413 5.162 0.122 3 0 "[ . 1]" 1
726 1 129 PRO HA 1 132 LYS H 4.620 . 4.620 4.549 4.380 4.851 0.231 1 0 "[ . 1]" 1
727 1 129 PRO HB2 1 130 LEU H 4.310 . 4.310 3.664 3.186 3.985 . 0 0 "[ . 1]" 1
728 1 129 PRO HB2 1 132 LYS H 3.850 . 3.850 2.783 2.435 3.208 . 0 0 "[ . 1]" 1
729 1 129 PRO HB2 1 132 LYS QG 4.410 . 4.410 3.685 2.100 4.667 0.257 7 0 "[ . 1]" 1
730 1 129 PRO HB3 1 130 LEU H 4.070 . 4.070 3.457 3.152 3.775 . 0 0 "[ . 1]" 1
731 1 130 LEU H 1 130 LEU HB2 3.710 . 3.710 2.442 2.100 3.506 . 0 0 "[ . 1]" 1
732 1 130 LEU H 1 130 LEU HB3 3.710 . 3.710 2.857 2.479 3.040 . 0 0 "[ . 1]" 1
733 1 130 LEU H 1 130 LEU QD 4.230 . 4.230 3.284 1.888 3.731 . 0 0 "[ . 1]" 1
734 1 130 LEU HA 1 130 LEU QB 2.570 . 2.570 2.429 2.177 2.532 . 0 0 "[ . 1]" 1
735 1 130 LEU HA 1 130 LEU QD 3.870 . 3.870 2.549 2.068 3.441 . 0 0 "[ . 1]" 1
736 1 130 LEU QB 1 130 LEU QD 1.560 . 1.560 1.900 1.885 1.915 0.355 5 0 "[ . 1]" 1
737 1 130 LEU HB2 1 130 LEU MD1 3.520 . 3.520 2.265 2.162 2.343 . 0 0 "[ . 1]" 1
738 1 130 LEU HB2 1 130 LEU MD2 3.520 . 3.520 2.897 2.373 3.203 . 0 0 "[ . 1]" 1
739 1 130 LEU HB3 1 130 LEU MD1 3.520 . 3.520 2.766 2.312 3.217 . 0 0 "[ . 1]" 1
740 1 130 LEU HB3 1 130 LEU MD2 3.520 . 3.520 2.230 2.139 2.305 . 0 0 "[ . 1]" 1
741 1 132 LYS H 1 132 LYS QB 3.220 . 3.220 2.264 2.053 2.493 . 0 0 "[ . 1]" 1
742 1 132 LYS H 1 133 PHE H 3.450 . 3.450 2.797 2.428 3.052 . 0 0 "[ . 1]" 1
743 1 132 LYS HA 1 132 LYS QD 3.380 . 3.380 3.138 2.191 3.859 0.479 7 0 "[ . 1]" 1
744 1 132 LYS HA 1 132 LYS QE 4.330 . 4.330 4.211 3.846 4.435 0.105 5 0 "[ . 1]" 1
745 1 133 PHE H 1 133 PHE QB 3.370 . 3.370 2.315 2.198 2.461 . 0 0 "[ . 1]" 1
746 1 133 PHE H 1 134 GLY H 4.020 . 4.020 2.080 1.957 2.267 . 0 0 "[ . 1]" 1
747 1 134 GLY H 1 135 PHE H 3.710 . 3.710 2.623 2.497 2.963 . 0 0 "[ . 1]" 1
748 1 134 GLY HA2 1 135 PHE HA 4.690 . 4.690 4.689 4.614 4.723 0.033 4 0 "[ . 1]" 1
749 1 134 GLY HA3 1 135 PHE HA 4.690 . 4.690 4.502 4.462 4.546 . 0 0 "[ . 1]" 1
750 1 135 PHE H 1 135 PHE QB 3.450 . 3.450 2.241 2.177 2.331 . 0 0 "[ . 1]" 1
751 1 135 PHE HA 1 137 ALA MB 5.370 . 5.370 5.196 5.022 5.392 0.022 9 0 "[ . 1]" 1
752 1 135 PHE QB 1 136 ASP H 3.770 . 3.770 2.892 2.577 3.015 . 0 0 "[ . 1]" 1
753 1 135 PHE QB 1 137 ALA H 3.360 . 3.360 2.572 2.340 2.820 . 0 0 "[ . 1]" 1
754 1 135 PHE HB2 1 136 ASP H 4.400 . 4.400 4.143 3.892 4.236 . 0 0 "[ . 1]" 1
755 1 135 PHE HB2 1 137 ALA H 4.160 . 4.160 3.897 3.746 4.059 . 0 0 "[ . 1]" 1
756 1 135 PHE HB3 1 136 ASP H 4.400 . 4.400 2.952 2.615 3.086 . 0 0 "[ . 1]" 1
757 1 135 PHE HB3 1 137 ALA H 4.160 . 4.160 2.613 2.362 2.908 . 0 0 "[ . 1]" 1
758 1 136 ASP H 1 136 ASP QB 3.390 . 3.390 2.678 2.319 2.918 . 0 0 "[ . 1]" 1
759 1 136 ASP H 1 137 ALA H 3.300 . 3.300 2.765 2.464 3.119 . 0 0 "[ . 1]" 1
760 1 136 ASP H 1 137 ALA MB 4.570 . 4.570 3.799 3.639 4.015 . 0 0 "[ . 1]" 1
761 1 137 ALA H 1 137 ALA MB 3.220 . 3.220 2.693 2.612 2.772 . 0 0 "[ . 1]" 1
762 1 137 ALA H 1 138 PHE H 4.370 . 4.370 4.257 4.192 4.374 0.004 9 0 "[ . 1]" 1
763 1 137 ALA HA 1 138 PHE H 3.220 . 3.220 2.186 2.144 2.241 . 0 0 "[ . 1]" 1
764 1 137 ALA MB 1 138 PHE H 3.290 . 3.290 2.923 2.812 3.013 . 0 0 "[ . 1]" 1
765 1 137 ALA MB 1 138 PHE HA 3.920 . 3.920 3.921 3.897 3.942 0.022 3 0 "[ . 1]" 1
766 1 137 ALA MB 1 138 PHE HB2 5.010 . 5.010 5.069 4.939 5.221 0.211 2 0 "[ . 1]" 1
767 1 138 PHE H 1 138 PHE HB3 4.120 . 4.120 3.896 3.749 3.983 . 0 0 "[ . 1]" 1
768 1 138 PHE HA 1 139 ALA H 3.460 . 3.460 2.438 2.397 2.498 . 0 0 "[ . 1]" 1
769 1 138 PHE HB2 1 139 ALA H 4.040 . 4.040 3.526 3.209 3.844 . 0 0 "[ . 1]" 1
770 1 138 PHE HB3 1 139 ALA H 4.320 . 4.320 2.258 2.145 2.463 . 0 0 "[ . 1]" 1
771 1 139 ALA HA 1 140 LEU H 3.360 . 3.360 2.332 2.178 2.400 . 0 0 "[ . 1]" 1
772 1 139 ALA MB 1 140 LEU H 3.580 . 3.580 2.692 2.542 3.251 . 0 0 "[ . 1]" 1
773 1 140 LEU H 1 140 LEU HB2 4.150 . 4.150 2.554 2.271 2.708 . 0 0 "[ . 1]" 1
774 1 140 LEU H 1 140 LEU QB 3.500 . 3.500 2.322 2.245 2.370 . 0 0 "[ . 1]" 1
775 1 140 LEU H 1 140 LEU HB3 4.150 . 4.150 2.812 2.572 3.539 . 0 0 "[ . 1]" 1
776 1 140 LEU HA 1 140 LEU QD 3.180 . 3.180 2.169 2.105 2.258 . 0 0 "[ . 1]" 1
777 1 140 LEU HA 1 140 LEU HG 3.850 . 3.850 2.720 2.556 2.891 . 0 0 "[ . 1]" 1
778 1 140 LEU HA 1 141 VAL H 3.510 . 3.510 2.130 2.085 2.200 . 0 0 "[ . 1]" 1
779 1 140 LEU QB 1 140 LEU QD 1.570 . 1.570 1.901 1.894 1.914 0.344 6 0 "[ . 1]" 1
780 1 140 LEU HB2 1 140 LEU MD1 3.520 . 3.520 2.239 2.201 2.370 . 0 0 "[ . 1]" 1
781 1 140 LEU HB2 1 140 LEU MD2 3.520 . 3.520 2.627 2.358 3.214 . 0 0 "[ . 1]" 1
782 1 140 LEU HB3 1 140 LEU MD1 3.520 . 3.520 3.038 2.313 3.217 . 0 0 "[ . 1]" 1
783 1 140 LEU HB3 1 140 LEU MD2 3.520 . 3.520 2.256 2.202 2.339 . 0 0 "[ . 1]" 1
784 1 140 LEU HG 1 141 VAL H 4.910 . 4.910 3.126 2.406 4.502 . 0 0 "[ . 1]" 1
785 1 141 VAL H 1 141 VAL QG 3.410 . 3.410 2.028 1.859 2.212 . 0 0 "[ . 1]" 1
786 1 141 VAL HA 1 141 VAL MG1 3.550 . 3.550 3.066 2.534 3.206 . 0 0 "[ . 1]" 1
787 1 141 VAL HA 1 141 VAL QG 2.830 . 2.830 2.392 2.332 2.508 . 0 0 "[ . 1]" 1
788 1 141 VAL HA 1 141 VAL MG2 3.550 . 3.550 2.598 2.396 3.213 . 0 0 "[ . 1]" 1
789 1 141 VAL HA 1 142 LYS H 3.170 . 3.170 2.262 2.183 2.337 . 0 0 "[ . 1]" 1
790 1 141 VAL QG 1 142 LYS H 3.980 . 3.980 2.246 1.774 3.294 . 0 0 "[ . 1]" 1
791 1 141 VAL QG 1 142 LYS HA 4.560 . 4.560 3.764 3.596 4.043 . 0 0 "[ . 1]" 1
792 1 142 LYS H 1 142 LYS HB2 3.770 . 3.770 3.295 2.260 3.596 . 0 0 "[ . 1]" 1
793 1 142 LYS H 1 142 LYS QB 3.160 . 3.160 2.381 2.045 2.574 . 0 0 "[ . 1]" 1
794 1 142 LYS H 1 142 LYS HB3 3.770 . 3.770 2.538 2.065 2.866 . 0 0 "[ . 1]" 1
795 1 142 LYS H 1 143 ALA H 4.640 . 4.640 4.551 4.476 4.606 . 0 0 "[ . 1]" 1
796 1 142 LYS HA 1 143 ALA H 3.110 . 3.110 2.141 2.100 2.194 . 0 0 "[ . 1]" 1
797 1 142 LYS QB 1 142 LYS QE 4.020 . 4.020 3.543 2.267 3.799 . 0 0 "[ . 1]" 1
798 1 142 LYS QB 1 143 ALA H 4.270 . 4.270 3.251 2.992 3.784 . 0 0 "[ . 1]" 1
799 1 142 LYS QD 1 143 ALA HA 3.880 . 3.880 3.632 3.137 3.948 0.068 6 0 "[ . 1]" 1
800 1 143 ALA H 1 143 ALA MB 3.510 . 3.510 2.398 2.203 2.564 . 0 0 "[ . 1]" 1
801 1 143 ALA HA 1 147 GLN QB 4.760 . 4.760 2.709 2.271 3.654 . 0 0 "[ . 1]" 1
802 1 143 ALA MB 1 147 GLN H 5.050 . 5.050 4.582 4.006 5.077 0.027 3 0 "[ . 1]" 1
803 1 143 ALA MB 1 147 GLN QB 3.480 . 3.480 2.710 2.195 3.446 . 0 0 "[ . 1]" 1
804 1 143 ALA MB 1 148 ILE H 4.450 . 4.450 3.659 3.260 4.006 . 0 0 "[ . 1]" 1
805 1 143 ALA MB 1 148 ILE HA 4.630 . 4.630 3.508 2.912 4.071 . 0 0 "[ . 1]" 1
806 1 143 ALA MB 1 148 ILE QG 3.710 . 3.710 2.266 1.928 2.708 . 0 0 "[ . 1]" 1
807 1 145 PRO HA 1 148 ILE H 3.920 . 3.920 3.513 3.216 3.676 . 0 0 "[ . 1]" 1
808 1 145 PRO HA 1 148 ILE HB 4.000 . 4.000 2.438 2.276 2.918 . 0 0 "[ . 1]" 1
809 1 145 PRO HA 1 148 ILE MD 3.710 . 3.710 2.483 2.239 3.082 . 0 0 "[ . 1]" 1
810 1 145 PRO HA 1 148 ILE MG 4.420 . 4.420 3.798 3.581 4.252 . 0 0 "[ . 1]" 1
811 1 145 PRO QB 1 146 ALA H 3.720 . 3.720 2.537 2.293 2.821 . 0 0 "[ . 1]" 1
812 1 145 PRO HB2 1 146 ALA H 4.460 . 4.460 2.572 2.314 2.872 . 0 0 "[ . 1]" 1
813 1 145 PRO HB3 1 146 ALA H 4.460 . 4.460 3.908 3.743 4.126 . 0 0 "[ . 1]" 1
814 1 146 ALA H 1 146 ALA MB 3.370 . 3.370 2.218 2.193 2.239 . 0 0 "[ . 1]" 1
815 1 146 ALA H 1 147 GLN H 3.890 . 3.890 2.778 2.673 2.935 . 0 0 "[ . 1]" 1
816 1 146 ALA MB 1 147 GLN H 3.420 . 3.420 2.395 2.260 2.538 . 0 0 "[ . 1]" 1
817 1 146 ALA MB 1 147 GLN QB 4.170 . 4.170 3.921 3.414 4.208 0.038 8 0 "[ . 1]" 1
818 1 147 GLN H 1 147 GLN QB 3.180 . 3.180 2.327 2.255 2.373 . 0 0 "[ . 1]" 1
819 1 147 GLN H 1 148 ILE H 3.780 . 3.780 2.446 2.338 2.650 . 0 0 "[ . 1]" 1
820 1 147 GLN QB 1 148 ILE H 3.950 . 3.950 2.734 2.605 2.895 . 0 0 "[ . 1]" 1
821 1 147 GLN QB 1 149 LYS H 5.140 . 5.140 4.874 4.762 4.992 . 0 0 "[ . 1]" 1
822 1 147 GLN QB 1 150 GLU H 4.840 . 4.840 4.903 4.848 4.962 0.122 3 0 "[ . 1]" 1
823 1 147 GLN QB 1 151 ASN H 5.260 . 5.260 4.660 4.186 5.295 0.035 5 0 "[ . 1]" 1
824 1 148 ILE H 1 148 ILE HB 3.740 . 3.740 2.524 2.415 2.636 . 0 0 "[ . 1]" 1
825 1 148 ILE H 1 148 ILE MD 4.280 . 4.280 3.439 3.347 3.598 . 0 0 "[ . 1]" 1
826 1 148 ILE H 1 148 ILE QG 4.170 . 4.170 2.026 1.865 2.188 . 0 0 "[ . 1]" 1
827 1 148 ILE H 1 148 ILE MG 3.840 . 3.840 3.750 3.735 3.769 . 0 0 "[ . 1]" 1
828 1 148 ILE H 1 149 LYS H 3.850 . 3.850 2.709 2.656 2.827 . 0 0 "[ . 1]" 1
829 1 148 ILE HA 1 148 ILE MD 4.390 . 4.390 3.816 3.770 3.854 . 0 0 "[ . 1]" 1
830 1 148 ILE HA 1 148 ILE MG 3.480 . 3.480 2.338 2.254 2.386 . 0 0 "[ . 1]" 1
831 1 148 ILE HB 1 149 LYS H 3.290 . 3.290 2.543 2.479 2.591 . 0 0 "[ . 1]" 1
832 1 148 ILE MG 1 149 LYS H 3.980 . 3.980 3.421 3.287 3.627 . 0 0 "[ . 1]" 1
833 1 148 ILE MG 1 149 LYS HA 4.030 . 4.030 3.478 3.325 3.774 . 0 0 "[ . 1]" 1
834 1 149 LYS H 1 149 LYS QB 3.110 . 3.110 2.316 2.235 2.382 . 0 0 "[ . 1]" 1
835 1 149 LYS H 1 150 GLU QG 5.500 . 5.500 4.348 4.162 4.474 . 0 0 "[ . 1]" 1
836 1 150 GLU H 1 150 GLU QB 3.160 . 3.160 2.380 2.349 2.429 . 0 0 "[ . 1]" 1
837 1 150 GLU H 1 150 GLU QG 3.580 . 3.580 2.241 2.097 2.302 . 0 0 "[ . 1]" 1
838 1 150 GLU H 1 151 ASN H 3.570 . 3.570 2.667 2.544 2.800 . 0 0 "[ . 1]" 1
839 1 150 GLU H 1 151 ASN QB 4.620 . 4.620 4.498 4.260 4.659 0.039 1 0 "[ . 1]" 1
840 1 150 GLU QB 1 151 ASN H 3.550 . 3.550 2.447 2.272 2.644 . 0 0 "[ . 1]" 1
841 1 150 GLU QG 1 151 ASN H 5.440 . 5.440 4.047 3.942 4.109 . 0 0 "[ . 1]" 1
842 1 151 ASN H 1 151 ASN QB 3.610 . 3.610 2.300 2.229 2.368 . 0 0 "[ . 1]" 1
843 1 151 ASN H 1 152 GLN H 3.840 . 3.840 2.662 2.613 2.712 . 0 0 "[ . 1]" 1
844 1 151 ASN QB 1 152 GLN H 3.740 . 3.740 2.568 2.507 2.629 . 0 0 "[ . 1]" 1
845 1 152 GLN H 1 152 GLN QB 3.540 . 3.540 2.288 2.237 2.425 . 0 0 "[ . 1]" 1
846 1 152 GLN H 1 152 GLN QG 4.120 . 4.120 3.587 2.064 3.962 . 0 0 "[ . 1]" 1
847 1 152 GLN H 1 153 ALA H 3.790 . 3.790 2.630 2.465 2.860 . 0 0 "[ . 1]" 1
848 1 152 GLN HA 1 155 TYR H 3.930 . 3.930 3.478 3.129 3.854 . 0 0 "[ . 1]" 1
849 1 152 GLN QB 1 153 ALA H 3.910 . 3.910 2.583 2.421 3.038 . 0 0 "[ . 1]" 1
850 1 152 GLN QG 1 153 ALA H 3.950 . 3.950 3.717 3.533 3.952 0.002 10 0 "[ . 1]" 1
851 1 152 GLN QG 1 153 ALA MB 4.650 . 4.650 4.503 4.094 5.091 0.441 5 0 "[ . 1]" 1
852 1 153 ALA H 1 153 ALA MB 3.160 . 3.160 2.222 2.156 2.258 . 0 0 "[ . 1]" 1
853 1 153 ALA H 1 155 TYR H 4.590 . 4.590 4.122 3.857 4.432 . 0 0 "[ . 1]" 1
854 1 156 PRO HA 1 157 PHE H 3.030 . 3.030 2.268 2.215 2.347 . 0 0 "[ . 1]" 1
855 1 156 PRO HA 1 157 PHE QB 4.320 . 4.320 4.108 4.061 4.145 . 0 0 "[ . 1]" 1
856 1 156 PRO QB 1 157 PHE H 4.200 . 4.200 3.010 2.808 3.128 . 0 0 "[ . 1]" 1
857 1 157 PHE H 1 157 PHE QB 3.480 . 3.480 2.286 2.240 2.322 . 0 0 "[ . 1]" 1
858 1 157 PHE HA 1 158 LYS H 3.330 . 3.330 2.160 2.127 2.205 . 0 0 "[ . 1]" 1
859 1 157 PHE QB 1 158 LYS H 4.280 . 4.280 3.747 3.584 3.864 . 0 0 "[ . 1]" 1
860 1 158 LYS H 1 158 LYS QB 3.890 . 3.890 2.398 2.258 2.594 . 0 0 "[ . 1]" 1
861 1 158 LYS QB 1 158 LYS QE 2.620 . 2.620 2.182 2.147 2.222 . 0 0 "[ . 1]" 1
862 1 159 SER HA 1 160 LYS H 3.400 . 3.400 2.285 2.250 2.321 . 0 0 "[ . 1]" 1
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