NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
488548 |
2kpk   |
16558 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kpk
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 2013
_Distance_constraint_stats_list.Viol_count 6795
_Distance_constraint_stats_list.Viol_total 9369.953
_Distance_constraint_stats_list.Viol_max 0.461
_Distance_constraint_stats_list.Viol_rms 0.0362
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0689
_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 1 GLY 0.263 0.097 3 0 "[ . 1 . 2]"
1 3 MET 0.029 0.029 4 0 "[ . 1 . 2]"
1 4 GLY 0.346 0.102 17 0 "[ . 1 . 2]"
1 5 LYS 2.492 0.202 5 0 "[ . 1 . 2]"
1 6 PRO 0.415 0.069 13 0 "[ . 1 . 2]"
1 7 PHE 7.723 0.156 6 0 "[ . 1 . 2]"
1 8 PHE 13.838 0.185 15 0 "[ . 1 . 2]"
1 9 THR 4.012 0.183 4 0 "[ . 1 . 2]"
1 10 ARG 9.481 0.167 16 0 "[ . 1 . 2]"
1 11 ASN 5.821 0.195 2 0 "[ . 1 . 2]"
1 12 PRO 5.087 0.149 17 0 "[ . 1 . 2]"
1 13 SER 2.040 0.195 2 0 "[ . 1 . 2]"
1 14 GLU 2.263 0.107 16 0 "[ . 1 . 2]"
1 15 LEU 6.866 0.224 1 0 "[ . 1 . 2]"
1 16 LYS 10.212 0.200 6 0 "[ . 1 . 2]"
1 17 GLY 5.349 0.217 2 0 "[ . 1 . 2]"
1 18 LYS 12.123 0.289 1 0 "[ . 1 . 2]"
1 19 PHE 13.017 0.272 19 0 "[ . 1 . 2]"
1 20 ILE 14.144 0.302 2 0 "[ . 1 . 2]"
1 21 HIS 5.262 0.162 15 0 "[ . 1 . 2]"
1 22 THR 2.546 0.144 12 0 "[ . 1 . 2]"
1 23 LYS 13.010 0.225 10 0 "[ . 1 . 2]"
1 24 LEU 13.120 0.171 1 0 "[ . 1 . 2]"
1 25 ARG 3.600 0.112 20 0 "[ . 1 . 2]"
1 26 LYS 12.777 0.196 8 0 "[ . 1 . 2]"
1 27 SER 1.729 0.089 6 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 0.916 0.126 5 0 "[ . 1 . 2]"
1 30 GLY 9.734 0.241 10 0 "[ . 1 . 2]"
1 31 PHE 8.558 0.142 19 0 "[ . 1 . 2]"
1 32 GLY 0.147 0.049 4 0 "[ . 1 . 2]"
1 33 PHE 7.911 0.201 10 0 "[ . 1 . 2]"
1 34 THR 7.641 0.161 12 0 "[ . 1 . 2]"
1 35 VAL 6.398 0.147 1 0 "[ . 1 . 2]"
1 36 VAL 15.596 0.282 17 0 "[ . 1 . 2]"
1 37 GLY 6.999 0.236 19 0 "[ . 1 . 2]"
1 38 GLY 6.542 0.320 7 0 "[ . 1 . 2]"
1 39 ASP 5.801 0.247 19 0 "[ . 1 . 2]"
1 40 GLU 10.826 0.247 19 0 "[ . 1 . 2]"
1 41 PRO 5.431 0.143 5 0 "[ . 1 . 2]"
1 42 ASP 3.631 0.185 15 0 "[ . 1 . 2]"
1 43 GLU 9.308 0.320 7 0 "[ . 1 . 2]"
1 44 PHE 11.583 0.224 1 0 "[ . 1 . 2]"
1 45 LEU 12.607 0.180 5 0 "[ . 1 . 2]"
1 46 GLN 6.687 0.191 10 0 "[ . 1 . 2]"
1 47 ILE 9.013 0.163 11 0 "[ . 1 . 2]"
1 48 LYS 0.413 0.088 6 0 "[ . 1 . 2]"
1 49 SER 11.777 0.291 13 0 "[ . 1 . 2]"
1 50 LEU 5.455 0.188 18 0 "[ . 1 . 2]"
1 51 VAL 9.134 0.461 10 0 "[ . 1 . 2]"
1 52 LEU 18.468 0.461 10 0 "[ . 1 . 2]"
1 53 ASP 8.193 0.170 9 0 "[ . 1 . 2]"
1 54 GLY 1.119 0.057 8 0 "[ . 1 . 2]"
1 55 PRO 6.927 0.163 15 0 "[ . 1 . 2]"
1 56 ALA 4.713 0.163 15 0 "[ . 1 . 2]"
1 57 ALA 4.342 0.199 8 0 "[ . 1 . 2]"
1 58 LEU 8.548 0.190 1 0 "[ . 1 . 2]"
1 59 ASP 4.828 0.127 7 0 "[ . 1 . 2]"
1 60 GLY 6.068 0.190 1 0 "[ . 1 . 2]"
1 61 LYS 5.136 0.204 4 0 "[ . 1 . 2]"
1 62 MET 4.139 0.188 18 0 "[ . 1 . 2]"
1 63 GLU 1.013 0.079 12 0 "[ . 1 . 2]"
1 64 THR 11.024 0.291 13 0 "[ . 1 . 2]"
1 65 GLY 4.949 0.156 1 0 "[ . 1 . 2]"
1 66 ASP 13.579 0.328 17 0 "[ . 1 . 2]"
1 67 VAL 10.310 0.226 10 0 "[ . 1 . 2]"
1 68 ILE 5.837 0.181 18 0 "[ . 1 . 2]"
1 69 VAL 7.400 0.216 11 0 "[ . 1 . 2]"
1 70 SER 5.434 0.218 16 0 "[ . 1 . 2]"
1 71 VAL 6.422 0.236 12 0 "[ . 1 . 2]"
1 72 ASN 4.356 0.178 2 0 "[ . 1 . 2]"
1 73 ASP 3.044 0.231 12 0 "[ . 1 . 2]"
1 74 THR 4.742 0.130 5 0 "[ . 1 . 2]"
1 75 CYS 2.314 0.130 5 0 "[ . 1 . 2]"
1 76 VAL 11.424 0.236 12 0 "[ . 1 . 2]"
1 77 LEU 11.670 0.216 11 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 HIS 14.626 0.161 6 0 "[ . 1 . 2]"
1 80 THR 9.440 0.173 6 0 "[ . 1 . 2]"
1 81 HIS 7.566 0.180 5 0 "[ . 1 . 2]"
1 82 ALA 0.945 0.049 11 0 "[ . 1 . 2]"
1 83 GLN 11.438 0.210 18 0 "[ . 1 . 2]"
1 84 VAL 5.251 0.097 15 0 "[ . 1 . 2]"
1 85 VAL 1.022 0.049 11 0 "[ . 1 . 2]"
1 86 LYS 10.133 0.232 1 0 "[ . 1 . 2]"
1 87 ILE 7.432 0.232 1 0 "[ . 1 . 2]"
1 88 PHE 9.790 0.199 20 0 "[ . 1 . 2]"
1 89 GLN 5.831 0.177 7 0 "[ . 1 . 2]"
1 90 SER 4.259 0.199 20 0 "[ . 1 . 2]"
1 91 ILE 10.904 0.141 9 0 "[ . 1 . 2]"
1 92 PRO 6.892 0.141 9 0 "[ . 1 . 2]"
1 93 ILE 13.622 0.317 3 0 "[ . 1 . 2]"
1 94 GLY 10.301 0.228 8 0 "[ . 1 . 2]"
1 95 ALA 6.702 0.241 10 0 "[ . 1 . 2]"
1 96 SER 7.242 0.243 17 0 "[ . 1 . 2]"
1 97 VAL 23.864 0.243 17 0 "[ . 1 . 2]"
1 98 ASP 3.409 0.150 5 0 "[ . 1 . 2]"
1 99 LEU 2.180 0.074 7 0 "[ . 1 . 2]"
1 100 GLU 1.389 0.084 11 0 "[ . 1 . 2]"
1 101 LEU 5.673 0.181 18 0 "[ . 1 . 2]"
1 102 CYS 0.213 0.040 20 0 "[ . 1 . 2]"
1 103 ARG 13.670 0.328 17 0 "[ . 1 . 2]"
1 104 GLY 2.394 0.160 4 0 "[ . 1 . 2]"
1 105 TYR 4.966 0.135 2 0 "[ . 1 . 2]"
1 106 PRO 1.502 0.109 20 0 "[ . 1 . 2]"
1 107 LEU 9.433 0.178 13 0 "[ . 1 . 2]"
1 108 PRO 6.808 0.178 13 0 "[ . 1 . 2]"
1 109 PHE 8.446 0.341 2 0 "[ . 1 . 2]"
1 110 ASP 6.939 0.341 2 0 "[ . 1 . 2]"
1 111 PRO 7.901 0.266 3 0 "[ . 1 . 2]"
1 112 ASP 6.980 0.266 3 0 "[ . 1 . 2]"
1 113 ASP 16.723 0.373 20 0 "[ . 1 . 2]"
1 114 PRO 22.021 0.453 4 0 "[ . 1 . 2]"
1 115 ASN 21.069 0.453 4 0 "[ . 1 . 2]"
1 116 THR 8.138 0.246 4 0 "[ . 1 . 2]"
1 117 SER 2.719 0.172 12 0 "[ . 1 . 2]"
1 118 LEU 2.506 0.153 15 0 "[ . 1 . 2]"
1 119 VAL 1.487 0.190 8 0 "[ . 1 . 2]"
1 120 THR 5.278 0.228 4 0 "[ . 1 . 2]"
1 121 SER 2.370 0.181 7 0 "[ . 1 . 2]"
1 122 VAL 0.501 0.125 13 0 "[ . 1 . 2]"
1 123 ALA 1.034 0.198 1 0 "[ . 1 . 2]"
1 124 ILE 1.710 0.198 1 0 "[ . 1 . 2]"
1 125 LEU 2.386 0.128 16 0 "[ . 1 . 2]"
1 126 ASP 2.112 0.146 15 0 "[ . 1 . 2]"
1 127 LYS 0.601 0.136 12 0 "[ . 1 . 2]"
1 128 GLU 1.082 0.114 12 0 "[ . 1 . 2]"
1 129 PRO 0.492 0.114 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 64 THR MG 1 65 GLY H 4.240 . 4.240 4.231 4.106 4.270 0.030 11 0 "[ . 1 . 2]" 1
2 1 64 THR H 1 65 GLY H 4.490 . 4.490 4.396 4.298 4.474 . 0 0 "[ . 1 . 2]" 1
3 1 65 GLY H 1 66 ASP HA 4.830 . 4.830 4.909 4.866 4.956 0.126 6 0 "[ . 1 . 2]" 1
4 1 64 THR HB 1 65 GLY H 3.740 . 3.740 3.716 3.632 3.779 0.039 16 0 "[ . 1 . 2]" 1
5 1 64 THR HA 1 65 GLY H 3.080 . 3.080 2.235 2.176 2.287 . 0 0 "[ . 1 . 2]" 1
6 1 65 GLY H 1 107 LEU HG 4.690 . 4.690 3.848 3.484 4.214 . 0 0 "[ . 1 . 2]" 1
7 1 65 GLY H 1 107 LEU MD2 4.350 . 4.350 3.107 2.677 4.008 . 0 0 "[ . 1 . 2]" 1
8 1 72 ASN H 1 73 ASP H 4.430 . 4.430 2.970 2.402 4.169 . 0 0 "[ . 1 . 2]" 1
9 1 71 VAL H 1 72 ASN H 4.630 . 4.630 4.198 4.005 4.379 . 0 0 "[ . 1 . 2]" 1
10 1 72 ASN H 1 98 ASP HA 5.080 . 5.080 4.938 4.731 5.091 0.011 8 0 "[ . 1 . 2]" 1
11 1 72 ASN H 1 99 LEU HA 4.390 . 4.390 3.359 2.945 3.698 . 0 0 "[ . 1 . 2]" 1
12 1 71 VAL HA 1 72 ASN H 3.050 . 3.050 2.193 2.114 2.251 . 0 0 "[ . 1 . 2]" 1
13 1 72 ASN H 1 97 VAL MG2 5.250 . 5.250 5.309 5.186 5.407 0.157 8 0 "[ . 1 . 2]" 1
14 1 103 ARG H 1 103 ARG HE 4.560 . 4.560 4.456 3.893 4.677 0.117 6 0 "[ . 1 . 2]" 1
15 1 67 VAL H 1 103 ARG H 4.670 . 4.670 4.503 4.358 4.662 . 0 0 "[ . 1 . 2]" 1
16 1 19 PHE HA 1 103 ARG H 4.000 . 4.000 3.568 3.407 3.749 . 0 0 "[ . 1 . 2]" 1
17 1 102 CYS HA 1 103 ARG H 3.110 . 3.110 2.039 1.945 2.127 . 0 0 "[ . 1 . 2]" 1
18 1 102 CYS QB 1 103 ARG H 4.420 . 4.420 3.777 3.665 3.868 . 0 0 "[ . 1 . 2]" 1
19 1 18 LYS QB 1 103 ARG H 3.390 . 3.390 3.030 2.215 3.421 0.031 16 0 "[ . 1 . 2]" 1
20 1 77 LEU HA 1 78 GLY H 3.320 . 3.320 2.196 2.150 2.226 . 0 0 "[ . 1 . 2]" 1
21 1 78 GLY H 1 79 HIS HB2 5.100 . 5.100 4.766 4.725 4.821 . 0 0 "[ . 1 . 2]" 1
22 1 57 ALA H 1 58 LEU HB2 4.360 . 4.360 4.120 3.998 4.262 . 0 0 "[ . 1 . 2]" 1
23 1 56 ALA MB 1 57 ALA H 3.830 . 3.830 2.362 2.234 2.472 . 0 0 "[ . 1 . 2]" 1
24 1 50 LEU HB3 1 57 ALA H 5.110 . 5.110 5.105 4.881 5.173 0.063 5 0 "[ . 1 . 2]" 1
25 1 50 LEU MD1 1 57 ALA H 5.110 . 5.110 3.116 2.822 3.583 . 0 0 "[ . 1 . 2]" 1
26 1 55 PRO HA 1 57 ALA H 4.830 . 4.830 4.489 4.330 4.679 . 0 0 "[ . 1 . 2]" 1
27 1 104 GLY H 1 105 TYR H 3.230 . 3.230 1.938 1.800 2.051 0.000 10 0 "[ . 1 . 2]" 1
28 1 103 ARG HA 1 105 TYR H 3.860 . 3.860 3.320 2.985 3.806 . 0 0 "[ . 1 . 2]" 1
29 1 105 TYR H 1 105 TYR HB2 3.930 . 3.930 2.404 2.247 2.535 . 0 0 "[ . 1 . 2]" 1
30 1 105 TYR H 1 105 TYR HB3 3.800 . 3.800 3.615 3.521 3.689 . 0 0 "[ . 1 . 2]" 1
31 1 35 VAL HA 1 36 VAL H 3.050 . 3.050 2.203 2.065 2.324 . 0 0 "[ . 1 . 2]" 1
32 1 36 VAL H 1 36 VAL HB 4.060 . 4.060 3.187 3.048 3.339 . 0 0 "[ . 1 . 2]" 1
33 1 35 VAL HB 1 36 VAL H 3.760 . 3.760 3.331 2.480 3.867 0.107 17 0 "[ . 1 . 2]" 1
34 1 35 VAL QG 1 36 VAL H 3.500 . 3.500 2.705 2.205 3.271 . 0 0 "[ . 1 . 2]" 1
35 1 36 VAL H 1 45 LEU MD1 5.340 . 5.340 5.413 5.355 5.482 0.142 6 0 "[ . 1 . 2]" 1
36 1 20 ILE H 1 101 LEU H 4.250 . 4.250 3.077 2.874 3.286 . 0 0 "[ . 1 . 2]" 1
37 1 19 PHE HA 1 101 LEU H 4.810 . 4.810 4.357 4.102 4.595 . 0 0 "[ . 1 . 2]" 1
38 1 100 GLU HA 1 101 LEU H 3.010 . 3.010 2.075 1.992 2.180 . 0 0 "[ . 1 . 2]" 1
39 1 100 GLU QG 1 101 LEU H 4.050 . 4.050 3.089 2.708 4.055 0.005 9 0 "[ . 1 . 2]" 1
40 1 101 LEU H 1 101 LEU HB2 4.040 . 4.040 2.648 2.463 3.725 . 0 0 "[ . 1 . 2]" 1
41 1 69 VAL QG 1 101 LEU H 4.550 . 4.550 4.452 4.054 4.591 0.041 10 0 "[ . 1 . 2]" 1
42 1 100 GLU H 1 101 LEU H 4.690 . 4.690 4.285 4.223 4.358 . 0 0 "[ . 1 . 2]" 1
43 1 21 HIS HA 1 101 LEU H 3.680 . 3.680 3.269 3.003 3.524 . 0 0 "[ . 1 . 2]" 1
44 1 45 LEU H 1 46 GLN H 4.950 . 4.950 4.440 4.376 4.521 . 0 0 "[ . 1 . 2]" 1
45 1 44 PHE HA 1 45 LEU H 3.260 . 3.260 2.514 2.464 2.553 . 0 0 "[ . 1 . 2]" 1
46 1 44 PHE QB 1 45 LEU H 4.280 . 4.280 2.570 2.508 2.616 . 0 0 "[ . 1 . 2]" 1
47 1 45 LEU H 1 45 LEU HB2 3.410 . 3.410 2.207 2.119 2.246 . 0 0 "[ . 1 . 2]" 1
48 1 47 ILE HA 1 48 LYS H 3.220 . 3.220 2.076 2.035 2.151 . 0 0 "[ . 1 . 2]" 1
49 1 48 LYS H 1 48 LYS HB2 3.810 . 3.810 2.518 2.355 2.736 . 0 0 "[ . 1 . 2]" 1
50 1 48 LYS H 1 48 LYS HB3 3.790 . 3.790 2.496 2.362 2.634 . 0 0 "[ . 1 . 2]" 1
51 1 35 VAL HA 1 48 LYS H 3.530 . 3.530 2.101 1.841 2.337 . 0 0 "[ . 1 . 2]" 1
52 1 47 ILE H 1 48 LYS H 4.650 . 4.650 4.265 4.206 4.333 . 0 0 "[ . 1 . 2]" 1
53 1 46 GLN H 1 46 GLN HG2 4.910 . 4.910 3.973 3.857 4.269 . 0 0 "[ . 1 . 2]" 1
54 1 35 VAL QG 1 46 GLN H 3.900 . 3.900 3.078 2.322 3.813 . 0 0 "[ . 1 . 2]" 1
55 1 45 LEU MD2 1 46 GLN H 4.340 . 4.340 4.376 4.319 4.456 0.116 5 0 "[ . 1 . 2]" 1
56 1 45 LEU HA 1 46 GLN H 3.110 . 3.110 2.200 2.135 2.298 . 0 0 "[ . 1 . 2]" 1
57 1 45 LEU HB2 1 46 GLN H 4.180 . 4.180 4.166 4.100 4.202 0.022 11 0 "[ . 1 . 2]" 1
58 1 46 GLN H 1 46 GLN HG3 4.790 . 4.790 3.153 3.042 3.358 . 0 0 "[ . 1 . 2]" 1
59 1 46 GLN H 1 46 GLN HB2 4.060 . 4.060 2.912 2.693 3.045 . 0 0 "[ . 1 . 2]" 1
60 1 39 ASP HA 1 81 HIS H 4.730 . 4.730 3.853 2.924 4.448 . 0 0 "[ . 1 . 2]" 1
61 1 80 THR HB 1 81 HIS H 4.390 . 4.390 3.037 2.945 3.153 . 0 0 "[ . 1 . 2]" 1
62 1 80 THR HA 1 81 HIS H 3.260 . 3.260 2.274 2.213 2.322 . 0 0 "[ . 1 . 2]" 1
63 1 38 GLY QA 1 81 HIS H 3.660 . 3.660 3.089 2.574 3.828 0.168 17 0 "[ . 1 . 2]" 1
64 1 81 HIS H 1 81 HIS HB2 3.510 . 3.510 2.132 2.089 2.190 . 0 0 "[ . 1 . 2]" 1
65 1 81 HIS H 1 81 HIS HB3 3.550 . 3.550 3.211 3.112 3.378 . 0 0 "[ . 1 . 2]" 1
66 1 98 ASP HA 1 99 LEU H 2.860 . 2.860 2.047 1.949 2.110 . 0 0 "[ . 1 . 2]" 1
67 1 74 THR HA 1 75 CYS H 2.790 . 2.790 2.067 1.993 2.127 . 0 0 "[ . 1 . 2]" 1
68 1 98 ASP QB 1 99 LEU H . . 3.820 3.511 3.234 3.878 0.058 12 0 "[ . 1 . 2]" 1
69 1 101 LEU HA 1 102 CYS H 3.230 . 3.230 2.273 2.136 2.418 . 0 0 "[ . 1 . 2]" 1
70 1 67 VAL MG2 1 102 CYS H 4.460 . 4.460 3.442 3.094 3.890 . 0 0 "[ . 1 . 2]" 1
71 1 34 THR HA 1 35 VAL H 3.230 . 3.230 2.301 2.146 2.466 . 0 0 "[ . 1 . 2]" 1
72 1 33 PHE QD 1 35 VAL H 5.000 . 5.000 4.517 4.218 4.965 . 0 0 "[ . 1 . 2]" 1
73 1 96 SER HA 1 97 VAL H 3.030 . 3.030 2.425 2.324 2.542 . 0 0 "[ . 1 . 2]" 1
74 1 96 SER QB 1 97 VAL H 3.510 . 3.510 2.483 2.283 3.051 . 0 0 "[ . 1 . 2]" 1
75 1 97 VAL H 1 97 VAL MG2 3.550 . 3.550 2.313 2.141 2.501 . 0 0 "[ . 1 . 2]" 1
76 1 18 LYS HA 1 19 PHE H 2.790 . 2.790 2.109 1.862 2.473 . 0 0 "[ . 1 . 2]" 1
77 1 19 PHE H 1 19 PHE HB2 3.390 . 3.390 2.608 2.479 2.802 . 0 0 "[ . 1 . 2]" 1
78 1 18 LYS HG3 1 19 PHE H 4.360 . 4.360 3.965 2.858 4.589 0.229 18 0 "[ . 1 . 2]" 1
79 1 86 LYS HA 1 89 GLN H 3.650 . 3.650 3.276 3.127 3.407 . 0 0 "[ . 1 . 2]" 1
80 1 85 VAL HA 1 89 GLN H 4.290 . 4.290 3.993 3.884 4.099 . 0 0 "[ . 1 . 2]" 1
81 1 88 PHE QB 1 89 GLN H . . 3.870 2.743 2.621 2.880 . 0 0 "[ . 1 . 2]" 1
82 1 89 GLN H 1 89 GLN HB2 3.230 . 3.230 2.075 1.995 2.141 . 0 0 "[ . 1 . 2]" 1
83 1 89 GLN H 1 89 GLN HB3 3.410 . 3.410 3.436 3.389 3.468 0.058 1 0 "[ . 1 . 2]" 1
84 1 85 VAL QG 1 89 GLN H 4.910 . 4.910 3.810 3.717 3.900 . 0 0 "[ . 1 . 2]" 1
85 1 20 ILE H 1 103 ARG H 4.740 . 4.740 4.189 3.892 4.622 . 0 0 "[ . 1 . 2]" 1
86 1 19 PHE HA 1 20 ILE H 2.940 . 2.940 1.883 1.790 2.040 0.010 10 0 "[ . 1 . 2]" 1
87 1 20 ILE H 1 102 CYS HA 4.110 . 4.110 3.313 2.968 3.506 . 0 0 "[ . 1 . 2]" 1
88 1 20 ILE H 1 20 ILE HG12 4.360 . 4.360 3.635 1.849 4.215 . 0 0 "[ . 1 . 2]" 1
89 1 20 ILE H 1 21 HIS H 4.950 . 4.950 4.352 4.036 4.499 . 0 0 "[ . 1 . 2]" 1
90 1 19 PHE HB3 1 20 ILE H 3.800 . 3.800 3.260 3.058 3.407 . 0 0 "[ . 1 . 2]" 1
91 1 52 LEU H 1 53 ASP H 4.840 . 4.840 2.548 2.384 2.673 . 0 0 "[ . 1 . 2]" 1
92 1 51 VAL HA 1 52 LEU H 2.790 . 2.790 1.968 1.717 2.309 0.083 19 0 "[ . 1 . 2]" 1
93 1 51 VAL HB 1 52 LEU H 4.410 . 4.410 4.094 3.862 4.302 . 0 0 "[ . 1 . 2]" 1
94 1 52 LEU H 1 52 LEU MD2 4.040 . 4.040 2.868 1.742 3.996 0.058 17 0 "[ . 1 . 2]" 1
95 1 72 ASN HB3 1 73 ASP H 4.340 . 4.340 3.907 2.369 4.375 0.035 20 0 "[ . 1 . 2]" 1
96 1 69 VAL H 1 100 GLU H 4.690 . 4.690 4.005 3.832 4.124 . 0 0 "[ . 1 . 2]" 1
97 1 69 VAL H 1 101 LEU HA 3.980 . 3.980 3.145 2.617 3.262 . 0 0 "[ . 1 . 2]" 1
98 1 69 VAL H 1 69 VAL QG . . 3.800 2.488 2.415 2.549 . 0 0 "[ . 1 . 2]" 1
99 1 67 VAL MG2 1 69 VAL H 5.060 . 5.060 3.878 3.804 4.046 . 0 0 "[ . 1 . 2]" 1
100 1 68 ILE HA 1 69 VAL H 3.240 . 3.240 1.881 1.857 1.907 . 0 0 "[ . 1 . 2]" 1
101 1 69 VAL H 1 100 GLU QB 5.060 . 5.060 3.557 3.292 3.894 . 0 0 "[ . 1 . 2]" 1
102 1 69 VAL H 1 69 VAL HB 3.690 . 3.690 2.643 2.595 2.695 . 0 0 "[ . 1 . 2]" 1
103 1 68 ILE HG13 1 69 VAL H 5.000 . 5.000 5.098 5.067 5.131 0.131 16 0 "[ . 1 . 2]" 1
104 1 26 LYS H 1 97 VAL H 4.680 . 4.680 4.056 3.954 4.224 . 0 0 "[ . 1 . 2]" 1
105 1 26 LYS H 1 26 LYS HB2 3.840 . 3.840 2.539 2.446 2.660 . 0 0 "[ . 1 . 2]" 1
106 1 26 LYS H 1 31 PHE HZ 4.650 . 4.650 4.686 4.657 4.737 0.087 15 0 "[ . 1 . 2]" 1
107 1 26 LYS H 1 96 SER HA 3.670 . 3.670 2.180 2.077 2.329 . 0 0 "[ . 1 . 2]" 1
108 1 25 ARG QG 1 26 LYS H 4.160 . 4.160 3.360 3.094 3.657 . 0 0 "[ . 1 . 2]" 1
109 1 26 LYS H 1 26 LYS HB3 3.680 . 3.680 2.393 2.298 2.448 . 0 0 "[ . 1 . 2]" 1
110 1 26 LYS H 1 26 LYS HG3 4.600 . 4.600 4.460 4.371 4.514 . 0 0 "[ . 1 . 2]" 1
111 1 31 PHE QD 1 32 GLY H 4.990 . 4.990 3.991 3.805 4.084 . 0 0 "[ . 1 . 2]" 1
112 1 24 LEU HA 1 25 ARG H 2.870 . 2.870 2.053 2.002 2.131 . 0 0 "[ . 1 . 2]" 1
113 1 25 ARG H 1 55 PRO HB2 4.720 . 4.720 2.931 2.433 3.248 . 0 0 "[ . 1 . 2]" 1
114 1 70 SER HA 1 76 VAL H 3.390 . 3.390 1.788 1.750 1.834 0.050 9 0 "[ . 1 . 2]" 1
115 1 75 CYS HB3 1 76 VAL H 4.520 . 4.520 4.190 3.818 4.322 . 0 0 "[ . 1 . 2]" 1
116 1 24 LEU MD1 1 25 ARG H 4.400 . 4.400 2.384 2.186 2.459 . 0 0 "[ . 1 . 2]" 1
117 1 103 ARG HA 1 104 GLY H 2.790 . 2.790 2.082 1.897 2.225 . 0 0 "[ . 1 . 2]" 1
118 1 70 SER HB2 1 76 VAL H 4.210 . 4.210 4.381 4.338 4.428 0.218 16 0 "[ . 1 . 2]" 1
119 1 76 VAL H 1 76 VAL HB 4.090 . 4.090 3.101 2.471 3.854 . 0 0 "[ . 1 . 2]" 1
120 1 74 THR MG 1 76 VAL H 5.130 . 5.130 4.431 3.740 4.586 . 0 0 "[ . 1 . 2]" 1
121 1 67 VAL H 1 102 CYS H 3.680 . 3.680 2.584 2.249 3.182 . 0 0 "[ . 1 . 2]" 1
122 1 66 ASP H 1 67 VAL H 4.710 . 4.710 4.590 4.469 4.641 . 0 0 "[ . 1 . 2]" 1
123 1 66 ASP HB3 1 67 VAL H 4.720 . 4.720 3.261 2.650 4.095 . 0 0 "[ . 1 . 2]" 1
124 1 66 ASP HB2 1 67 VAL H 4.190 . 4.190 3.839 2.750 4.222 0.032 14 0 "[ . 1 . 2]" 1
125 1 20 ILE HA 1 21 HIS H 2.780 . 2.780 2.189 1.964 2.381 . 0 0 "[ . 1 . 2]" 1
126 1 44 PHE H 1 45 LEU H 4.960 . 4.960 4.763 4.701 4.827 . 0 0 "[ . 1 . 2]" 1
127 1 44 PHE H 1 44 PHE QD 3.750 . 3.750 3.372 3.252 3.432 . 0 0 "[ . 1 . 2]" 1
128 1 8 PHE QE 1 44 PHE H 4.550 . 4.550 3.663 3.534 3.793 . 0 0 "[ . 1 . 2]" 1
129 1 44 PHE H 1 44 PHE QE 4.900 . 4.900 4.909 4.861 4.934 0.034 5 0 "[ . 1 . 2]" 1
130 1 43 GLU HA 1 44 PHE H 3.070 . 3.070 2.111 2.051 2.188 . 0 0 "[ . 1 . 2]" 1
131 1 44 PHE H 1 44 PHE QB 3.790 . 3.790 2.224 2.156 2.285 . 0 0 "[ . 1 . 2]" 1
132 1 43 GLU HB2 1 44 PHE H 4.430 . 4.430 4.064 3.959 4.169 . 0 0 "[ . 1 . 2]" 1
133 1 107 LEU H 1 107 LEU HB2 2.870 . 2.870 2.034 1.932 2.103 . 0 0 "[ . 1 . 2]" 1
134 1 107 LEU H 1 107 LEU HB3 3.390 . 3.390 3.259 2.733 3.432 0.042 18 0 "[ . 1 . 2]" 1
135 1 34 THR H 1 35 VAL H 5.020 . 5.020 4.335 4.257 4.426 . 0 0 "[ . 1 . 2]" 1
136 1 61 LYS H 1 62 MET H 3.230 . 3.230 2.188 1.840 2.613 . 0 0 "[ . 1 . 2]" 1
137 1 33 PHE HB2 1 34 THR H 4.160 . 4.160 2.196 2.112 2.283 . 0 0 "[ . 1 . 2]" 1
138 1 33 PHE HB3 1 34 THR H 3.720 . 3.720 3.602 3.512 3.686 . 0 0 "[ . 1 . 2]" 1
139 1 38 GLY H 1 39 ASP H 3.580 . 3.580 2.919 2.527 3.507 . 0 0 "[ . 1 . 2]" 1
140 1 33 PHE HA 1 34 THR H 3.100 . 3.100 2.302 2.261 2.338 . 0 0 "[ . 1 . 2]" 1
141 1 37 GLY HA3 1 39 ASP H 4.250 . 4.250 4.225 3.929 4.486 0.236 19 0 "[ . 1 . 2]" 1
142 1 39 ASP H 1 39 ASP HB2 3.190 . 3.190 2.285 2.053 2.465 . 0 0 "[ . 1 . 2]" 1
143 1 46 GLN H 1 47 ILE H 4.680 . 4.680 4.227 4.176 4.267 . 0 0 "[ . 1 . 2]" 1
144 1 46 GLN HA 1 47 ILE H 3.320 . 3.320 2.158 2.108 2.215 . 0 0 "[ . 1 . 2]" 1
145 1 79 HIS HD2 1 80 THR H 4.780 . 4.780 3.944 3.714 4.057 . 0 0 "[ . 1 . 2]" 1
146 1 49 SER HA 1 50 LEU H 2.770 . 2.770 2.536 2.491 2.602 . 0 0 "[ . 1 . 2]" 1
147 1 49 SER HB2 1 50 LEU H 3.300 . 3.300 3.328 3.300 3.358 0.058 19 0 "[ . 1 . 2]" 1
148 1 79 HIS HB2 1 80 THR H 4.680 . 4.680 3.124 3.089 3.159 . 0 0 "[ . 1 . 2]" 1
149 1 47 ILE H 1 47 ILE HB 3.560 . 3.560 2.799 2.700 2.856 . 0 0 "[ . 1 . 2]" 1
150 1 46 GLN HB2 1 47 ILE H 3.320 . 3.320 3.442 3.397 3.483 0.163 11 0 "[ . 1 . 2]" 1
151 1 50 LEU H 1 50 LEU HG 3.700 . 3.700 2.209 1.978 2.414 . 0 0 "[ . 1 . 2]" 1
152 1 81 HIS H 1 82 ALA H 3.640 . 3.640 2.962 2.899 3.039 . 0 0 "[ . 1 . 2]" 1
153 1 79 HIS H 1 80 THR H 5.100 . 5.100 3.141 3.025 3.245 . 0 0 "[ . 1 . 2]" 1
154 1 80 THR H 1 84 VAL H 4.550 . 4.550 3.116 2.984 3.201 . 0 0 "[ . 1 . 2]" 1
155 1 82 ALA H 1 83 GLN H 3.410 . 3.410 2.838 2.785 2.899 . 0 0 "[ . 1 . 2]" 1
156 1 80 THR HB 1 82 ALA H 4.700 . 4.700 2.408 2.265 2.544 . 0 0 "[ . 1 . 2]" 1
157 1 81 HIS HB2 1 82 ALA H 4.010 . 4.010 3.519 3.304 3.715 . 0 0 "[ . 1 . 2]" 1
158 1 80 THR H 1 83 GLN HB2 3.590 . 3.590 2.276 2.145 2.415 . 0 0 "[ . 1 . 2]" 1
159 1 80 THR H 1 83 GLN HG3 5.040 . 5.040 4.149 3.715 5.181 0.141 7 0 "[ . 1 . 2]" 1
160 1 80 THR H 1 83 GLN HB3 3.750 . 3.750 3.674 3.343 3.791 0.041 8 0 "[ . 1 . 2]" 1
161 1 63 GLU HA 1 64 THR H 2.830 . 2.830 2.281 2.176 2.417 . 0 0 "[ . 1 . 2]" 1
162 1 114 PRO HB3 1 115 ASN H 3.410 . 3.410 3.657 3.593 3.715 0.305 18 0 "[ . 1 . 2]" 1
163 1 11 ASN H 1 14 GLU H 5.000 . 5.000 4.451 4.232 4.629 . 0 0 "[ . 1 . 2]" 1
164 1 10 ARG H 1 11 ASN H 3.260 . 3.260 3.156 2.997 3.316 0.056 20 0 "[ . 1 . 2]" 1
165 1 9 THR MG 1 11 ASN H 3.910 . 3.910 2.413 2.077 2.871 . 0 0 "[ . 1 . 2]" 1
166 1 22 THR H 1 22 THR HB 3.470 . 3.470 3.350 3.188 3.475 0.005 12 0 "[ . 1 . 2]" 1
167 1 11 ASN H 1 11 ASN HB2 3.070 . 3.070 2.886 2.425 3.139 0.069 2 0 "[ . 1 . 2]" 1
168 1 115 ASN H 1 116 THR H 3.730 . 3.730 2.833 2.536 3.316 . 0 0 "[ . 1 . 2]" 1
169 1 114 PRO QD 1 115 ASN H 3.930 . 3.930 2.265 1.806 2.825 . 0 0 "[ . 1 . 2]" 1
170 1 51 VAL MG1 1 53 ASP H 4.230 . 4.230 1.829 1.741 2.035 0.059 1 0 "[ . 1 . 2]" 1
171 1 23 LYS HA 1 24 LEU H 2.650 . 2.650 1.903 1.852 1.976 . 0 0 "[ . 1 . 2]" 1
172 1 23 LYS H 1 24 LEU H 4.540 . 4.540 4.293 3.987 4.426 . 0 0 "[ . 1 . 2]" 1
173 1 24 LEU H 1 97 VAL H 3.400 . 3.400 2.368 2.144 2.518 . 0 0 "[ . 1 . 2]" 1
174 1 46 GLN HA 1 68 ILE H 3.930 . 3.930 2.468 2.324 2.672 . 0 0 "[ . 1 . 2]" 1
175 1 62 MET HA 1 63 GLU H 2.810 . 2.810 2.257 2.170 2.395 . 0 0 "[ . 1 . 2]" 1
176 1 47 ILE MG 1 63 GLU H 4.270 . 4.270 4.194 3.949 4.349 0.079 12 0 "[ . 1 . 2]" 1
177 1 68 ILE H 1 68 ILE MG 3.890 . 3.890 3.771 3.706 3.854 . 0 0 "[ . 1 . 2]" 1
178 1 24 LEU H 1 97 VAL MG2 3.610 . 3.610 3.189 3.136 3.243 . 0 0 "[ . 1 . 2]" 1
179 1 24 LEU H 1 31 PHE QD 4.970 . 4.970 4.980 4.825 5.053 0.083 8 0 "[ . 1 . 2]" 1
180 1 67 VAL MG2 1 68 ILE H 3.830 . 3.830 3.050 2.857 3.271 . 0 0 "[ . 1 . 2]" 1
181 1 85 VAL H 1 87 ILE H 4.650 . 4.650 4.074 3.955 4.174 . 0 0 "[ . 1 . 2]" 1
182 1 85 VAL H 1 86 LYS HA 5.370 . 5.370 5.212 5.172 5.285 . 0 0 "[ . 1 . 2]" 1
183 1 82 ALA HA 1 85 VAL H 3.750 . 3.750 3.772 3.750 3.798 0.048 8 0 "[ . 1 . 2]" 1
184 1 85 VAL H 1 85 VAL QG 3.220 . 3.220 2.223 2.168 2.300 . 0 0 "[ . 1 . 2]" 1
185 1 127 LYS H 1 128 GLU H 4.740 . 4.740 2.891 1.784 4.190 0.016 12 0 "[ . 1 . 2]" 1
186 1 7 PHE H 1 7 PHE QD 3.780 . 3.780 3.897 3.857 3.930 0.150 20 0 "[ . 1 . 2]" 1
187 1 7 PHE H 1 105 TYR QE 5.150 . 5.150 2.939 2.178 3.907 . 0 0 "[ . 1 . 2]" 1
188 1 7 PHE H 1 7 PHE HB2 3.280 . 3.280 2.701 2.448 2.931 . 0 0 "[ . 1 . 2]" 1
189 1 7 PHE H 1 7 PHE HB3 3.340 . 3.340 2.158 2.110 2.199 . 0 0 "[ . 1 . 2]" 1
190 1 72 ASN H 1 98 ASP H 3.990 . 3.990 3.744 3.291 3.948 . 0 0 "[ . 1 . 2]" 1
191 1 98 ASP H 1 98 ASP QB 3.360 . 3.360 2.451 2.167 2.623 . 0 0 "[ . 1 . 2]" 1
192 1 97 VAL HB 1 98 ASP H 4.020 . 4.020 3.685 3.586 3.744 . 0 0 "[ . 1 . 2]" 1
193 1 97 VAL MG2 1 98 ASP H 4.480 . 4.480 4.319 4.233 4.380 . 0 0 "[ . 1 . 2]" 1
194 1 97 VAL H 1 98 ASP H 4.500 . 4.500 4.179 4.054 4.282 . 0 0 "[ . 1 . 2]" 1
195 1 77 LEU HA 1 79 HIS H 4.610 . 4.610 3.811 3.739 3.883 . 0 0 "[ . 1 . 2]" 1
196 1 78 GLY H 1 79 HIS H 3.460 . 3.460 2.923 2.869 2.954 . 0 0 "[ . 1 . 2]" 1
197 1 8 PHE QE 1 79 HIS H 4.650 . 4.650 4.736 4.705 4.770 0.120 11 0 "[ . 1 . 2]" 1
198 1 8 PHE HZ 1 79 HIS H 4.850 . 4.850 3.959 3.860 4.014 . 0 0 "[ . 1 . 2]" 1
199 1 79 HIS H 1 79 HIS HB2 3.430 . 3.430 2.139 2.098 2.190 . 0 0 "[ . 1 . 2]" 1
200 1 79 HIS H 1 79 HIS HB3 3.540 . 3.540 2.787 2.721 2.862 . 0 0 "[ . 1 . 2]" 1
201 1 95 ALA HA 1 96 SER H 2.800 . 2.800 2.643 2.187 2.774 . 0 0 "[ . 1 . 2]" 1
202 1 96 SER H 1 96 SER QB 3.270 . 3.270 2.872 2.605 3.229 . 0 0 "[ . 1 . 2]" 1
203 1 91 ILE MG 1 96 SER H 4.730 . 4.730 3.768 3.375 4.763 0.033 10 0 "[ . 1 . 2]" 1
204 1 93 ILE H 1 93 ILE HB 2.610 . 2.610 2.366 2.313 2.419 . 0 0 "[ . 1 . 2]" 1
205 1 71 VAL H 1 76 VAL H 4.380 . 4.380 3.434 3.180 3.635 . 0 0 "[ . 1 . 2]" 1
206 1 93 ILE H 1 94 GLY H 5.050 . 5.050 4.486 4.446 4.515 . 0 0 "[ . 1 . 2]" 1
207 1 71 VAL H 1 74 THR H 3.640 . 3.640 3.084 2.810 3.480 . 0 0 "[ . 1 . 2]" 1
208 1 70 SER HA 1 71 VAL H 2.990 . 2.990 2.284 2.188 2.417 . 0 0 "[ . 1 . 2]" 1
209 1 71 VAL H 1 71 VAL QG 3.730 . 3.730 2.494 2.054 3.052 . 0 0 "[ . 1 . 2]" 1
210 1 71 VAL H 1 76 VAL QG . . 3.930 2.552 1.796 3.217 0.004 16 0 "[ . 1 . 2]" 1
211 1 71 VAL H 1 74 THR HB 4.140 . 4.140 3.437 3.303 3.795 . 0 0 "[ . 1 . 2]" 1
212 1 92 PRO HB2 1 93 ILE H 3.590 . 3.590 2.810 2.780 2.863 . 0 0 "[ . 1 . 2]" 1
213 1 92 PRO HB3 1 93 ILE H 3.640 . 3.640 3.427 3.365 3.505 . 0 0 "[ . 1 . 2]" 1
214 1 109 PHE H 1 109 PHE QD 4.220 . 4.220 4.238 4.141 4.324 0.104 3 0 "[ . 1 . 2]" 1
215 1 109 PHE H 1 109 PHE QB . . 3.200 2.403 2.149 2.626 . 0 0 "[ . 1 . 2]" 1
216 1 108 PRO HB2 1 109 PHE H 3.760 . 3.760 2.635 1.726 3.715 0.074 10 0 "[ . 1 . 2]" 1
217 1 15 LEU QD 1 16 LYS H 4.060 . 4.060 2.294 1.779 3.418 0.021 5 0 "[ . 1 . 2]" 1
218 1 16 LYS H 1 105 TYR QE 3.690 . 3.690 3.489 2.689 3.825 0.135 2 0 "[ . 1 . 2]" 1
219 1 15 LEU HA 1 16 LYS H 2.990 . 2.990 2.359 2.256 2.522 . 0 0 "[ . 1 . 2]" 1
220 1 16 LYS H 1 16 LYS HB3 3.520 . 3.520 3.584 3.540 3.632 0.112 15 0 "[ . 1 . 2]" 1
221 1 123 ALA H 1 123 ALA MB 3.570 . 3.570 2.554 2.260 2.878 . 0 0 "[ . 1 . 2]" 1
222 1 110 ASP H 1 110 ASP HB2 3.500 . 3.500 3.391 2.978 3.573 0.073 7 0 "[ . 1 . 2]" 1
223 1 110 ASP H 1 110 ASP HB3 3.470 . 3.470 2.640 2.292 3.179 . 0 0 "[ . 1 . 2]" 1
224 1 120 THR MG 1 121 SER H 4.770 . 4.770 3.333 1.776 4.202 0.024 8 0 "[ . 1 . 2]" 1
225 1 37 GLY H 1 45 LEU HA 4.720 . 4.720 4.663 4.504 4.766 0.046 7 0 "[ . 1 . 2]" 1
226 1 57 ALA H 1 58 LEU H 3.610 . 3.610 2.388 2.329 2.476 . 0 0 "[ . 1 . 2]" 1
227 1 58 LEU H 1 59 ASP H 3.390 . 3.390 2.537 2.442 2.626 . 0 0 "[ . 1 . 2]" 1
228 1 37 GLY H 1 38 GLY H 4.380 . 4.380 3.613 2.121 4.389 0.009 20 0 "[ . 1 . 2]" 1
229 1 55 PRO HA 1 58 LEU H 4.110 . 4.110 3.319 3.169 3.586 . 0 0 "[ . 1 . 2]" 1
230 1 57 ALA MB 1 58 LEU H 3.420 . 3.420 2.649 2.549 2.804 . 0 0 "[ . 1 . 2]" 1
231 1 36 VAL MG1 1 37 GLY H 3.570 . 3.570 3.419 3.105 3.613 0.043 3 0 "[ . 1 . 2]" 1
232 1 58 LEU H 1 58 LEU MD2 3.960 . 3.960 3.699 3.509 3.860 . 0 0 "[ . 1 . 2]" 1
233 1 58 LEU H 1 60 GLY H 4.660 . 4.660 3.589 3.480 3.677 . 0 0 "[ . 1 . 2]" 1
234 1 56 ALA HA 1 58 LEU H 4.450 . 4.450 4.466 4.417 4.498 0.048 20 0 "[ . 1 . 2]" 1
235 1 119 VAL HA 1 120 THR H 3.090 . 3.090 2.460 2.118 3.124 0.034 15 0 "[ . 1 . 2]" 1
236 1 4 GLY QA 1 5 LYS H 2.940 . 2.940 2.138 2.030 2.305 . 0 0 "[ . 1 . 2]" 1
237 1 84 VAL H 1 85 VAL H 3.540 . 3.540 2.726 2.632 2.786 . 0 0 "[ . 1 . 2]" 1
238 1 83 GLN HB2 1 84 VAL H 3.840 . 3.840 2.712 2.569 2.942 . 0 0 "[ . 1 . 2]" 1
239 1 111 PRO HG3 1 112 ASP H 3.140 . 3.140 3.305 3.256 3.406 0.266 3 0 "[ . 1 . 2]" 1
240 1 111 PRO HD2 1 112 ASP H 3.250 . 3.250 2.031 1.885 2.272 . 0 0 "[ . 1 . 2]" 1
241 1 112 ASP H 1 113 ASP HB2 5.100 . 5.100 4.143 3.196 5.120 0.020 3 0 "[ . 1 . 2]" 1
242 1 112 ASP H 1 112 ASP HB3 3.150 . 3.150 2.620 2.349 3.167 0.017 3 0 "[ . 1 . 2]" 1
243 1 123 ALA MB 1 124 ILE H 4.320 . 4.320 3.534 3.242 3.690 . 0 0 "[ . 1 . 2]" 1
244 1 124 ILE H 1 124 ILE QG . . 4.190 2.733 2.062 3.523 . 0 0 "[ . 1 . 2]" 1
245 1 121 SER HA 1 122 VAL H 3.030 . 3.030 2.435 1.969 3.133 0.103 3 0 "[ . 1 . 2]" 1
246 1 122 VAL H 1 122 VAL HB 3.690 . 3.690 3.214 2.470 3.727 0.037 20 0 "[ . 1 . 2]" 1
247 1 18 LYS H 1 103 ARG H 3.760 . 3.760 2.884 2.534 3.158 . 0 0 "[ . 1 . 2]" 1
248 1 99 LEU H 1 100 GLU H 4.430 . 4.430 4.440 4.387 4.473 0.043 20 0 "[ . 1 . 2]" 1
249 1 18 LYS H 1 19 PHE H 4.470 . 4.470 4.378 4.052 4.507 0.037 17 0 "[ . 1 . 2]" 1
250 1 18 LYS H 1 104 GLY H 5.140 . 5.140 4.751 4.478 5.123 . 0 0 "[ . 1 . 2]" 1
251 1 99 LEU HA 1 100 GLU H 2.930 . 2.930 2.209 2.105 2.326 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLY HA3 1 18 LYS H 3.190 . 3.190 2.661 1.950 2.876 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLY HA2 1 18 LYS H 3.240 . 3.240 2.455 2.294 2.840 . 0 0 "[ . 1 . 2]" 1
254 1 70 SER HB2 1 100 GLU H 4.550 . 4.550 3.059 2.842 3.225 . 0 0 "[ . 1 . 2]" 1
255 1 70 SER HB3 1 100 GLU H 4.140 . 4.140 4.183 4.140 4.224 0.084 11 0 "[ . 1 . 2]" 1
256 1 18 LYS H 1 18 LYS QB 3.120 . 3.120 2.320 2.003 2.499 . 0 0 "[ . 1 . 2]" 1
257 1 99 LEU QB 1 100 GLU H 4.150 . 4.150 2.848 2.535 3.085 . 0 0 "[ . 1 . 2]" 1
258 1 99 LEU HG 1 100 GLU H 5.500 . 5.500 5.058 4.967 5.172 . 0 0 "[ . 1 . 2]" 1
259 1 126 ASP H 1 127 LYS H 4.890 . 4.890 3.849 1.972 4.564 . 0 0 "[ . 1 . 2]" 1
260 1 70 SER H 1 100 GLU H 3.710 . 3.710 2.667 2.542 2.891 . 0 0 "[ . 1 . 2]" 1
261 1 100 GLU H 1 100 GLU QB . . 3.720 2.384 2.259 2.559 . 0 0 "[ . 1 . 2]" 1
262 1 13 SER H 1 14 GLU H 3.390 . 3.390 2.447 2.143 2.621 . 0 0 "[ . 1 . 2]" 1
263 1 14 GLU H 1 15 LEU H 3.210 . 3.210 2.207 2.099 2.506 . 0 0 "[ . 1 . 2]" 1
264 1 11 ASN HB2 1 14 GLU H 4.410 . 4.410 4.313 3.053 4.476 0.066 16 0 "[ . 1 . 2]" 1
265 1 14 GLU H 1 14 GLU HG2 3.310 . 3.310 2.507 2.377 2.645 . 0 0 "[ . 1 . 2]" 1
266 1 14 GLU H 1 14 GLU HG3 3.740 . 3.740 3.742 3.621 3.795 0.055 12 0 "[ . 1 . 2]" 1
267 1 94 GLY H 1 95 ALA H 3.620 . 3.620 2.211 2.159 2.274 . 0 0 "[ . 1 . 2]" 1
268 1 26 LYS HB2 1 95 ALA H 4.520 . 4.520 3.969 3.905 4.053 . 0 0 "[ . 1 . 2]" 1
269 1 23 LYS H 1 23 LYS QG 4.380 . 4.380 3.940 3.821 4.289 . 0 0 "[ . 1 . 2]" 1
270 1 91 ILE MG 1 95 ALA H 4.200 . 4.200 3.960 3.893 4.020 . 0 0 "[ . 1 . 2]" 1
271 1 72 ASN H 1 74 THR H 4.700 . 4.700 4.255 4.107 4.537 . 0 0 "[ . 1 . 2]" 1
272 1 74 THR H 1 75 CYS H 4.270 . 4.270 4.287 4.195 4.336 0.066 1 0 "[ . 1 . 2]" 1
273 1 22 THR HA 1 23 LYS H 2.810 . 2.810 2.093 1.956 2.304 . 0 0 "[ . 1 . 2]" 1
274 1 74 THR H 1 74 THR HB 3.220 . 3.220 2.526 2.435 2.671 . 0 0 "[ . 1 . 2]" 1
275 1 22 THR HB 1 23 LYS H 3.820 . 3.820 3.868 3.838 3.909 0.089 9 0 "[ . 1 . 2]" 1
276 1 23 LYS H 1 23 LYS HB3 3.250 . 3.250 2.364 2.169 2.670 . 0 0 "[ . 1 . 2]" 1
277 1 47 ILE HG13 1 66 ASP H 3.840 . 3.840 3.368 3.152 3.790 . 0 0 "[ . 1 . 2]" 1
278 1 22 THR MG 1 23 LYS H 4.130 . 4.130 3.792 3.471 4.130 . 0 0 "[ . 1 . 2]" 1
279 1 72 ASN HD21 1 97 VAL MG2 5.470 . 5.470 5.091 4.591 5.480 0.010 6 0 "[ . 1 . 2]" 1
280 1 47 ILE MD 1 66 ASP H 5.000 . 5.000 4.450 4.227 4.791 . 0 0 "[ . 1 . 2]" 1
281 1 65 GLY H 1 66 ASP H 3.690 . 3.690 2.381 2.302 2.469 . 0 0 "[ . 1 . 2]" 1
282 1 72 ASN HA 1 72 ASN HD21 4.460 . 4.460 2.211 1.869 4.416 . 0 0 "[ . 1 . 2]" 1
283 1 64 THR HA 1 66 ASP H 3.740 . 3.740 3.820 3.764 3.879 0.139 10 0 "[ . 1 . 2]" 1
284 1 66 ASP H 1 66 ASP HB3 3.510 . 3.510 3.430 2.737 3.628 0.118 10 0 "[ . 1 . 2]" 1
285 1 47 ILE HB 1 66 ASP H 3.350 . 3.350 2.941 2.755 3.057 . 0 0 "[ . 1 . 2]" 1
286 1 47 ILE MG 1 66 ASP H 4.330 . 4.330 4.254 4.136 4.357 0.027 5 0 "[ . 1 . 2]" 1
287 1 114 PRO HA 1 116 THR H 5.070 . 5.070 3.872 3.568 4.304 . 0 0 "[ . 1 . 2]" 1
288 1 11 ASN HA 1 13 SER H 4.180 . 4.180 3.671 3.262 3.780 . 0 0 "[ . 1 . 2]" 1
289 1 36 VAL HA 1 81 HIS HE1 4.840 . 4.840 2.743 2.247 3.342 . 0 0 "[ . 1 . 2]" 1
290 1 88 PHE H 1 90 SER QB 4.150 . 4.150 4.324 4.299 4.349 0.199 20 0 "[ . 1 . 2]" 1
291 1 12 PRO HG3 1 13 SER H 4.440 . 4.440 4.364 4.114 4.489 0.049 3 0 "[ . 1 . 2]" 1
292 1 87 ILE MG 1 88 PHE H 3.890 . 3.890 3.008 2.799 3.254 . 0 0 "[ . 1 . 2]" 1
293 1 88 PHE H 1 89 GLN H 3.520 . 3.520 2.486 2.389 2.552 . 0 0 "[ . 1 . 2]" 1
294 1 29 ARG H 1 30 GLY H 4.990 . 4.990 2.319 2.217 2.423 . 0 0 "[ . 1 . 2]" 1
295 1 85 VAL HA 1 88 PHE H 3.990 . 3.990 3.322 3.199 3.405 . 0 0 "[ . 1 . 2]" 1
296 1 88 PHE H 1 88 PHE QB . . 3.680 2.433 2.403 2.476 . 0 0 "[ . 1 . 2]" 1
297 1 115 ASN HB3 1 115 ASN HD21 3.610 . 3.610 2.936 1.990 3.370 . 0 0 "[ . 1 . 2]" 1
298 1 8 PHE QD 1 10 ARG H 4.910 . 4.910 1.956 1.805 2.156 . 0 0 "[ . 1 . 2]" 1
299 1 10 ARG H 1 10 ARG HB2 3.720 . 3.720 3.682 3.620 3.740 0.020 12 0 "[ . 1 . 2]" 1
300 1 10 ARG H 1 10 ARG HG3 3.700 . 3.700 2.998 2.588 3.498 . 0 0 "[ . 1 . 2]" 1
301 1 10 ARG H 1 11 ASN HA 5.500 . 5.500 5.523 5.469 5.584 0.084 16 0 "[ . 1 . 2]" 1
302 1 69 VAL H 1 70 SER H 3.380 . 3.380 2.079 1.990 2.223 . 0 0 "[ . 1 . 2]" 1
303 1 70 SER H 1 71 VAL H 4.940 . 4.940 4.393 4.302 4.477 . 0 0 "[ . 1 . 2]" 1
304 1 70 SER H 1 101 LEU HA 4.610 . 4.610 4.614 4.145 4.679 0.069 1 0 "[ . 1 . 2]" 1
305 1 70 SER H 1 70 SER HB2 4.160 . 4.160 2.825 2.727 2.908 . 0 0 "[ . 1 . 2]" 1
306 1 70 SER H 1 70 SER HB3 4.110 . 4.110 3.919 3.878 3.979 . 0 0 "[ . 1 . 2]" 1
307 1 46 GLN HE21 1 65 GLY HA2 5.290 . 5.290 2.889 2.460 3.337 . 0 0 "[ . 1 . 2]" 1
308 1 70 SER H 1 100 GLU QB . . 3.770 2.321 2.057 2.668 . 0 0 "[ . 1 . 2]" 1
309 1 69 VAL HB 1 70 SER H 3.270 . 3.270 2.713 2.572 2.834 . 0 0 "[ . 1 . 2]" 1
310 1 69 VAL QG 1 70 SER H 3.880 . 3.880 3.293 3.210 3.354 . 0 0 "[ . 1 . 2]" 1
311 1 68 ILE MG 1 70 SER H 3.800 . 3.800 2.943 2.734 3.103 . 0 0 "[ . 1 . 2]" 1
312 1 70 SER H 1 100 GLU HA 4.920 . 4.920 4.499 4.397 4.636 . 0 0 "[ . 1 . 2]" 1
313 1 46 GLN HE21 1 67 VAL HA 4.180 . 4.180 4.164 3.994 4.228 0.048 3 0 "[ . 1 . 2]" 1
314 1 60 GLY QA 1 61 LYS H 3.550 . 3.550 2.821 2.655 2.906 . 0 0 "[ . 1 . 2]" 1
315 1 61 LYS H 1 61 LYS HB2 3.430 . 3.430 2.097 1.887 2.490 . 0 0 "[ . 1 . 2]" 1
316 1 61 LYS H 1 61 LYS HB3 3.220 . 3.220 3.318 2.745 3.424 0.204 4 0 "[ . 1 . 2]" 1
317 1 42 ASP H 1 43 GLU H 3.590 . 3.590 1.730 1.692 1.757 0.108 6 0 "[ . 1 . 2]" 1
318 1 83 GLN H 1 85 VAL H 5.090 . 5.090 4.255 4.167 4.310 . 0 0 "[ . 1 . 2]" 1
319 1 79 HIS HD2 1 83 GLN H 5.280 . 5.280 4.999 4.804 5.141 . 0 0 "[ . 1 . 2]" 1
320 1 79 HIS HB3 1 83 GLN H 5.060 . 5.060 4.348 4.219 4.452 . 0 0 "[ . 1 . 2]" 1
321 1 83 GLN H 1 83 GLN HB2 3.210 . 3.210 2.227 2.155 2.304 . 0 0 "[ . 1 . 2]" 1
322 1 83 GLN H 1 83 GLN HG3 4.050 . 4.050 3.794 3.613 4.090 0.040 7 0 "[ . 1 . 2]" 1
323 1 77 LEU H 1 77 LEU HB3 3.440 . 3.440 2.373 2.310 2.472 . 0 0 "[ . 1 . 2]" 1
324 1 83 GLN H 1 83 GLN HB3 3.440 . 3.440 3.490 3.443 3.510 0.070 1 0 "[ . 1 . 2]" 1
325 1 77 LEU H 1 77 LEU HB2 3.860 . 3.860 2.162 2.128 2.195 . 0 0 "[ . 1 . 2]" 1
326 1 76 VAL H 1 77 LEU H 3.420 . 3.420 2.286 2.148 2.480 . 0 0 "[ . 1 . 2]" 1
327 1 8 PHE HZ 1 77 LEU H 4.660 . 4.660 4.794 4.740 4.840 0.180 5 0 "[ . 1 . 2]" 1
328 1 55 PRO HG3 1 56 ALA H 3.980 . 3.980 4.092 4.052 4.143 0.163 15 0 "[ . 1 . 2]" 1
329 1 77 LEU H 1 77 LEU MD2 3.940 . 3.940 3.968 3.952 4.011 0.071 20 0 "[ . 1 . 2]" 1
330 1 76 VAL QG 1 77 LEU H . . 4.280 3.355 3.277 3.411 . 0 0 "[ . 1 . 2]" 1
331 1 56 ALA H 1 57 ALA H 3.690 . 3.690 2.816 2.673 2.909 . 0 0 "[ . 1 . 2]" 1
332 1 58 LEU MD1 1 59 ASP H 4.120 . 4.120 4.173 4.136 4.196 0.076 11 0 "[ . 1 . 2]" 1
333 1 59 ASP H 1 59 ASP HB2 3.200 . 3.200 2.310 2.066 2.423 . 0 0 "[ . 1 . 2]" 1
334 1 59 ASP H 1 59 ASP HB3 3.340 . 3.340 2.810 2.415 3.246 . 0 0 "[ . 1 . 2]" 1
335 1 58 LEU HB2 1 59 ASP H 3.580 . 3.580 2.658 2.479 2.831 . 0 0 "[ . 1 . 2]" 1
336 1 58 LEU HB3 1 59 ASP H 3.590 . 3.590 3.106 2.871 3.340 . 0 0 "[ . 1 . 2]" 1
337 1 53 ASP HA 1 54 GLY H 3.500 . 3.500 3.363 3.197 3.484 . 0 0 "[ . 1 . 2]" 1
338 1 54 GLY H 1 55 PRO HD2 4.450 . 4.450 4.431 4.285 4.485 0.035 8 0 "[ . 1 . 2]" 1
339 1 52 LEU H 1 54 GLY H 5.030 . 5.030 4.007 3.812 4.183 . 0 0 "[ . 1 . 2]" 1
340 1 53 ASP H 1 54 GLY H 3.770 . 3.770 2.247 1.949 2.479 . 0 0 "[ . 1 . 2]" 1
341 1 27 SER H 1 30 GLY H 4.810 . 4.810 2.696 2.611 2.821 . 0 0 "[ . 1 . 2]" 1
342 1 29 ARG HA 1 30 GLY H 3.470 . 3.470 3.417 3.127 3.487 0.017 15 0 "[ . 1 . 2]" 1
343 1 26 LYS HA 1 30 GLY H 3.670 . 3.670 3.844 3.825 3.866 0.196 8 0 "[ . 1 . 2]" 1
344 1 26 LYS HG2 1 30 GLY H 5.160 . 5.160 4.603 4.306 5.017 . 0 0 "[ . 1 . 2]" 1
345 1 87 ILE HA 1 90 SER H 4.290 . 4.290 3.127 2.979 3.277 . 0 0 "[ . 1 . 2]" 1
346 1 89 GLN H 1 90 SER H 3.350 . 3.350 2.426 2.327 2.517 . 0 0 "[ . 1 . 2]" 1
347 1 90 SER H 1 91 ILE H 3.340 . 3.340 2.455 2.306 2.612 . 0 0 "[ . 1 . 2]" 1
348 1 90 SER H 1 90 SER QB 2.950 . 2.950 2.181 2.140 2.260 . 0 0 "[ . 1 . 2]" 1
349 1 89 GLN HB2 1 90 SER H 3.810 . 3.810 2.852 2.593 3.065 . 0 0 "[ . 1 . 2]" 1
350 1 89 GLN HB3 1 90 SER H 3.940 . 3.940 3.631 3.449 3.818 . 0 0 "[ . 1 . 2]" 1
351 1 51 VAL H 1 52 LEU H 4.530 . 4.530 4.357 4.202 4.499 . 0 0 "[ . 1 . 2]" 1
352 1 33 PHE HA 1 51 VAL H 3.910 . 3.910 3.294 3.131 3.481 . 0 0 "[ . 1 . 2]" 1
353 1 50 LEU HA 1 51 VAL H 3.110 . 3.110 2.078 2.001 2.143 . 0 0 "[ . 1 . 2]" 1
354 1 50 LEU HB3 1 51 VAL H 4.390 . 4.390 3.610 3.473 3.731 . 0 0 "[ . 1 . 2]" 1
355 1 74 THR MG 1 79 HIS HE1 3.630 . 3.630 3.663 3.311 3.747 0.117 17 0 "[ . 1 . 2]" 1
356 1 50 LEU HB2 1 51 VAL H 3.920 . 3.920 2.678 2.508 2.816 . 0 0 "[ . 1 . 2]" 1
357 1 76 VAL QG 1 79 HIS HE1 4.340 . 4.340 4.182 3.579 4.433 0.093 18 0 "[ . 1 . 2]" 1
358 1 11 ASN HD21 1 13 SER QB 3.740 . 3.740 3.734 2.887 3.935 0.195 2 0 "[ . 1 . 2]" 1
359 1 113 ASP H 1 113 ASP HB2 3.210 . 3.210 2.600 2.152 2.984 . 0 0 "[ . 1 . 2]" 1
360 1 110 ASP HB2 1 113 ASP H 4.110 . 4.110 4.012 3.435 4.417 0.307 3 0 "[ . 1 . 2]" 1
361 1 11 ASN HD21 1 14 GLU HG2 4.960 . 4.960 3.579 1.894 4.959 . 0 0 "[ . 1 . 2]" 1
362 1 11 ASN HA 1 11 ASN HD21 4.660 . 4.660 3.571 1.963 4.485 . 0 0 "[ . 1 . 2]" 1
363 1 39 ASP HB2 1 40 GLU H 3.500 . 3.500 3.533 3.042 3.747 0.247 19 0 "[ . 1 . 2]" 1
364 1 40 GLU H 1 40 GLU HB2 3.870 . 3.870 3.912 3.869 3.930 0.060 14 0 "[ . 1 . 2]" 1
365 1 40 GLU H 1 40 GLU HB3 3.610 . 3.610 3.615 3.545 3.660 0.050 13 0 "[ . 1 . 2]" 1
366 1 40 GLU H 1 80 THR MG 5.330 . 5.330 4.673 4.330 5.169 . 0 0 "[ . 1 . 2]" 1
367 1 26 LYS H 1 27 SER H 4.560 . 4.560 4.093 4.069 4.179 . 0 0 "[ . 1 . 2]" 1
368 1 27 SER H 1 27 SER HB2 4.030 . 4.030 2.594 2.487 2.816 . 0 0 "[ . 1 . 2]" 1
369 1 27 SER H 1 27 SER HB3 3.790 . 3.790 2.472 2.369 2.751 . 0 0 "[ . 1 . 2]" 1
370 1 27 SER H 1 55 PRO HG2 4.390 . 4.390 4.373 4.161 4.471 0.081 5 0 "[ . 1 . 2]" 1
371 1 26 LYS HG3 1 27 SER H 4.260 . 4.260 3.767 3.707 3.828 . 0 0 "[ . 1 . 2]" 1
372 1 16 LYS HB3 1 17 GLY H 4.000 . 4.000 2.239 1.934 2.825 . 0 0 "[ . 1 . 2]" 1
373 1 48 LYS H 1 49 SER H 3.520 . 3.520 2.482 2.361 2.601 . 0 0 "[ . 1 . 2]" 1
374 1 34 THR H 1 49 SER H 3.590 . 3.590 2.809 2.708 2.900 . 0 0 "[ . 1 . 2]" 1
375 1 85 VAL H 1 86 LYS H 3.500 . 3.500 2.614 2.571 2.672 . 0 0 "[ . 1 . 2]" 1
376 1 84 VAL H 1 86 LYS H 4.790 . 4.790 4.060 3.904 4.147 . 0 0 "[ . 1 . 2]" 1
377 1 35 VAL HA 1 49 SER H 4.560 . 4.560 4.248 4.011 4.441 . 0 0 "[ . 1 . 2]" 1
378 1 34 THR HB 1 49 SER H 4.630 . 4.630 4.288 4.146 4.454 . 0 0 "[ . 1 . 2]" 1
379 1 86 LYS H 1 86 LYS HB3 2.880 . 2.880 2.069 2.046 2.110 . 0 0 "[ . 1 . 2]" 1
380 1 86 LYS H 1 86 LYS HG3 4.420 . 4.420 4.480 4.454 4.518 0.098 4 0 "[ . 1 . 2]" 1
381 1 82 ALA MB 1 86 LYS H 4.710 . 4.710 4.676 4.516 4.732 0.022 4 0 "[ . 1 . 2]" 1
382 1 85 VAL QG 1 86 LYS H 3.750 . 3.750 3.277 3.197 3.347 . 0 0 "[ . 1 . 2]" 1
383 1 47 ILE MG 1 49 SER H 4.080 . 4.080 2.073 1.923 2.216 . 0 0 "[ . 1 . 2]" 1
384 1 85 VAL HB 1 86 LYS H 3.520 . 3.520 2.795 2.701 2.911 . 0 0 "[ . 1 . 2]" 1
385 1 60 GLY H 1 61 LYS H 3.720 . 3.720 2.658 2.551 2.779 . 0 0 "[ . 1 . 2]" 1
386 1 59 ASP H 1 60 GLY H 3.370 . 3.370 2.268 2.193 2.365 . 0 0 "[ . 1 . 2]" 1
387 1 59 ASP HB2 1 60 GLY H 3.910 . 3.910 3.566 3.354 3.711 . 0 0 "[ . 1 . 2]" 1
388 1 59 ASP HB3 1 60 GLY H 3.760 . 3.760 2.810 2.247 3.379 . 0 0 "[ . 1 . 2]" 1
389 1 60 GLY H 1 61 LYS HB2 4.320 . 4.320 4.378 4.222 4.466 0.146 1 0 "[ . 1 . 2]" 1
390 1 31 PHE QE 1 96 SER HA 4.210 . 4.210 3.758 3.544 4.023 . 0 0 "[ . 1 . 2]" 1
391 1 58 LEU HA 1 60 GLY H 4.120 . 4.120 3.832 3.480 4.145 0.025 1 0 "[ . 1 . 2]" 1
392 1 31 PHE QE 1 97 VAL H 4.220 . 4.220 3.905 3.550 4.195 . 0 0 "[ . 1 . 2]" 1
393 1 26 LYS H 1 31 PHE QE 3.890 . 3.890 3.083 2.766 3.254 . 0 0 "[ . 1 . 2]" 1
394 1 31 PHE QE 1 88 PHE HA 3.880 . 3.880 3.153 2.883 3.452 . 0 0 "[ . 1 . 2]" 1
395 1 31 PHE QE 1 88 PHE QB 3.750 . 3.750 1.973 1.904 2.023 . 0 0 "[ . 1 . 2]" 1
396 1 26 LYS HA 1 31 PHE QE 3.770 . 3.770 3.858 3.766 3.912 0.142 19 0 "[ . 1 . 2]" 1
397 1 26 LYS QE 1 31 PHE QE 4.320 . 4.320 3.664 3.441 4.342 0.022 15 0 "[ . 1 . 2]" 1
398 1 26 LYS HB2 1 31 PHE QE 3.720 . 3.720 2.481 2.358 2.629 . 0 0 "[ . 1 . 2]" 1
399 1 31 PHE QE 1 91 ILE MG 4.100 . 4.100 3.174 3.053 3.393 . 0 0 "[ . 1 . 2]" 1
400 1 31 PHE QE 1 91 ILE MD 3.950 . 3.950 3.933 3.845 3.977 0.027 13 0 "[ . 1 . 2]" 1
401 1 31 PHE QE 1 97 VAL MG1 4.050 . 4.050 4.124 4.091 4.151 0.101 4 0 "[ . 1 . 2]" 1
402 1 31 PHE QE 1 97 VAL MG2 3.770 . 3.770 1.846 1.827 1.881 . 0 0 "[ . 1 . 2]" 1
403 1 26 LYS HG3 1 31 PHE QE 4.580 . 4.580 4.097 3.943 4.477 . 0 0 "[ . 1 . 2]" 1
404 1 15 LEU HB2 1 19 PHE HZ 3.510 . 3.510 2.965 1.778 3.631 0.121 2 0 "[ . 1 . 2]" 1
405 1 58 LEU HB2 1 60 GLY H 4.460 . 4.460 4.501 4.430 4.532 0.072 15 0 "[ . 1 . 2]" 1
406 1 15 LEU HB3 1 19 PHE HZ 3.780 . 3.780 2.315 1.919 3.314 . 0 0 "[ . 1 . 2]" 1
407 1 15 LEU HG 1 19 PHE HZ 3.280 . 3.280 2.822 2.108 3.412 0.132 6 0 "[ . 1 . 2]" 1
408 1 7 PHE QE 1 16 LYS H 4.650 . 4.650 4.330 3.798 4.654 0.004 6 0 "[ . 1 . 2]" 1
409 1 7 PHE QE 1 15 LEU HA 3.890 . 3.890 2.680 2.083 3.285 . 0 0 "[ . 1 . 2]" 1
410 1 7 PHE QE 1 9 THR MG 3.390 . 3.390 2.273 2.089 2.648 . 0 0 "[ . 1 . 2]" 1
411 1 15 LEU QD 1 19 PHE HZ 3.620 . 3.620 2.192 1.855 3.416 . 0 0 "[ . 1 . 2]" 1
412 1 109 PHE QE 1 111 PRO HG2 4.540 . 4.540 4.525 4.237 4.643 0.103 16 0 "[ . 1 . 2]" 1
413 1 109 PHE QE 1 110 ASP H 4.830 . 4.830 4.259 3.785 4.716 . 0 0 "[ . 1 . 2]" 1
414 1 109 PHE QE 1 111 PRO HB2 3.690 . 3.690 3.612 3.320 3.718 0.028 4 0 "[ . 1 . 2]" 1
415 1 109 PHE QE 1 111 PRO HA 3.540 . 3.540 3.177 2.397 3.567 0.027 6 0 "[ . 1 . 2]" 1
416 1 87 ILE H 1 89 GLN H 4.510 . 4.510 3.927 3.844 4.041 . 0 0 "[ . 1 . 2]" 1
417 1 84 VAL HA 1 87 ILE H 3.650 . 3.650 3.270 3.070 3.394 . 0 0 "[ . 1 . 2]" 1
418 1 87 ILE H 1 87 ILE HG12 3.470 . 3.470 3.133 2.852 3.552 0.082 1 0 "[ . 1 . 2]" 1
419 1 32 GLY HA2 1 33 PHE H 3.390 . 3.390 3.236 3.136 3.297 . 0 0 "[ . 1 . 2]" 1
420 1 19 PHE QD 1 20 ILE H 4.240 . 4.240 3.963 3.728 4.168 . 0 0 "[ . 1 . 2]" 1
421 1 19 PHE QD 1 102 CYS HA 4.360 . 4.360 3.413 3.180 3.857 . 0 0 "[ . 1 . 2]" 1
422 1 19 PHE QD 1 103 ARG H 4.940 . 4.940 5.062 5.003 5.137 0.197 20 0 "[ . 1 . 2]" 1
423 1 19 PHE H 1 19 PHE QD 3.620 . 3.620 2.898 2.371 3.218 . 0 0 "[ . 1 . 2]" 1
424 1 19 PHE HA 1 19 PHE QD 3.780 . 3.780 2.869 2.622 3.116 . 0 0 "[ . 1 . 2]" 1
425 1 18 LYS HA 1 19 PHE QD 3.880 . 3.880 3.651 2.959 3.918 0.038 4 0 "[ . 1 . 2]" 1
426 1 19 PHE QD 1 69 VAL QG 3.770 . 3.770 2.395 2.107 2.969 . 0 0 "[ . 1 . 2]" 1
427 1 19 PHE QD 1 67 VAL MG1 5.120 . 5.120 5.241 5.168 5.346 0.226 10 0 "[ . 1 . 2]" 1
428 1 7 PHE QD 1 8 PHE H 3.970 . 3.970 4.011 3.923 4.048 0.078 11 0 "[ . 1 . 2]" 1
429 1 90 SER HA 1 91 ILE H 3.540 . 3.540 3.511 3.460 3.546 0.006 13 0 "[ . 1 . 2]" 1
430 1 90 SER QB 1 91 ILE H 3.500 . 3.500 2.495 2.273 2.771 . 0 0 "[ . 1 . 2]" 1
431 1 91 ILE H 1 91 ILE HB 3.040 . 3.040 2.185 2.147 2.239 . 0 0 "[ . 1 . 2]" 1
432 1 91 ILE H 1 91 ILE HG13 3.370 . 3.370 2.650 2.408 2.730 . 0 0 "[ . 1 . 2]" 1
433 1 7 PHE QD 1 15 LEU QD 3.830 . 3.830 2.258 1.861 3.013 . 0 0 "[ . 1 . 2]" 1
434 1 109 PHE QD 1 110 ASP H 3.640 . 3.640 3.275 2.620 3.647 0.007 18 0 "[ . 1 . 2]" 1
435 1 109 PHE HA 1 109 PHE QD 3.140 . 3.140 2.785 2.299 3.140 0.000 16 0 "[ . 1 . 2]" 1
436 1 109 PHE QD 1 111 PRO HD3 4.530 . 4.530 2.578 2.230 3.073 . 0 0 "[ . 1 . 2]" 1
437 1 12 PRO HB2 1 19 PHE QE 4.300 . 4.300 4.167 3.705 4.354 0.054 1 0 "[ . 1 . 2]" 1
438 1 31 PHE HZ 1 91 ILE HB 3.730 . 3.730 3.091 2.785 3.528 . 0 0 "[ . 1 . 2]" 1
439 1 109 PHE QD 1 111 PRO HG2 4.180 . 4.180 4.197 4.063 4.299 0.119 3 0 "[ . 1 . 2]" 1
440 1 19 PHE QE 1 69 VAL QG 3.440 . 3.440 1.859 1.781 1.947 0.019 10 0 "[ . 1 . 2]" 1
441 1 44 PHE QD 1 67 VAL HB 4.450 . 4.450 3.557 3.139 3.952 . 0 0 "[ . 1 . 2]" 1
442 1 31 PHE HZ 1 91 ILE MG 3.560 . 3.560 2.248 2.117 2.705 . 0 0 "[ . 1 . 2]" 1
443 1 44 PHE QD 1 77 LEU MD1 3.530 . 3.530 2.398 2.201 2.670 . 0 0 "[ . 1 . 2]" 1
444 1 15 LEU QD 1 19 PHE QE 4.250 . 4.250 2.355 2.040 3.952 . 0 0 "[ . 1 . 2]" 1
445 1 44 PHE QD 1 67 VAL MG1 3.810 . 3.810 3.148 2.651 3.484 . 0 0 "[ . 1 . 2]" 1
446 1 44 PHE QD 1 67 VAL MG2 3.710 . 3.710 2.838 2.536 3.060 . 0 0 "[ . 1 . 2]" 1
447 1 44 PHE QD 1 45 LEU H 3.680 . 3.680 3.719 3.573 3.804 0.124 9 0 "[ . 1 . 2]" 1
448 1 8 PHE QD 1 44 PHE QD 3.720 . 3.720 2.900 2.706 3.135 . 0 0 "[ . 1 . 2]" 1
449 1 44 PHE HA 1 44 PHE QD 3.010 . 3.010 1.814 1.794 1.854 0.006 9 0 "[ . 1 . 2]" 1
450 1 31 PHE HZ 1 91 ILE MD 3.780 . 3.780 3.235 3.062 3.399 . 0 0 "[ . 1 . 2]" 1
451 1 88 PHE QD 1 91 ILE MD 3.730 . 3.730 3.001 2.675 3.423 . 0 0 "[ . 1 . 2]" 1
452 1 87 ILE MG 1 88 PHE QD 3.820 . 3.820 3.323 3.265 3.409 . 0 0 "[ . 1 . 2]" 1
453 1 88 PHE QD 1 89 GLN H 4.560 . 4.560 4.477 4.413 4.556 . 0 0 "[ . 1 . 2]" 1
454 1 88 PHE H 1 88 PHE QD 4.040 . 4.040 3.300 3.227 3.339 . 0 0 "[ . 1 . 2]" 1
455 1 88 PHE HA 1 88 PHE QD 3.010 . 3.010 1.977 1.927 2.065 . 0 0 "[ . 1 . 2]" 1
456 1 85 VAL HA 1 88 PHE QD 3.360 . 3.360 2.418 2.193 2.544 . 0 0 "[ . 1 . 2]" 1
457 1 84 VAL MG2 1 88 PHE QD 3.700 . 3.700 3.444 3.266 3.725 0.025 16 0 "[ . 1 . 2]" 1
458 1 84 VAL HB 1 88 PHE QD 4.830 . 4.830 3.934 3.750 4.204 . 0 0 "[ . 1 . 2]" 1
459 1 21 HIS H 1 21 HIS HD2 5.020 . 5.020 4.929 3.374 5.116 0.096 20 0 "[ . 1 . 2]" 1
460 1 21 HIS HD2 1 22 THR H 4.530 . 4.530 3.587 2.475 4.674 0.144 12 0 "[ . 1 . 2]" 1
461 1 21 HIS HA 1 21 HIS HD2 4.290 . 4.290 2.995 2.405 3.750 . 0 0 "[ . 1 . 2]" 1
462 1 7 PHE H 1 8 PHE H 4.020 . 4.020 4.106 4.073 4.131 0.111 6 0 "[ . 1 . 2]" 1
463 1 8 PHE H 1 8 PHE HB2 3.690 . 3.690 2.574 2.480 2.716 . 0 0 "[ . 1 . 2]" 1
464 1 8 PHE H 1 8 PHE HB3 3.770 . 3.770 2.766 2.693 2.842 . 0 0 "[ . 1 . 2]" 1
465 1 8 PHE H 1 8 PHE QD 4.150 . 4.150 4.212 4.168 4.248 0.098 3 0 "[ . 1 . 2]" 1
466 1 8 PHE H 1 9 THR H 4.510 . 4.510 4.384 4.243 4.504 . 0 0 "[ . 1 . 2]" 1
467 1 105 TYR H 1 105 TYR QD 3.460 . 3.460 2.511 2.352 2.692 . 0 0 "[ . 1 . 2]" 1
468 1 104 GLY H 1 105 TYR QD 4.130 . 4.130 4.110 3.961 4.179 0.049 3 0 "[ . 1 . 2]" 1
469 1 105 TYR HA 1 105 TYR QD 4.210 . 4.210 3.032 2.851 3.140 . 0 0 "[ . 1 . 2]" 1
470 1 67 VAL MG1 1 105 TYR QD 3.450 . 3.450 2.385 1.909 2.668 . 0 0 "[ . 1 . 2]" 1
471 1 67 VAL MG2 1 105 TYR QD 4.660 . 4.660 4.252 3.749 4.483 . 0 0 "[ . 1 . 2]" 1
472 1 33 PHE QE 1 88 PHE QE 4.320 . 4.320 3.862 3.614 4.136 . 0 0 "[ . 1 . 2]" 1
473 1 33 PHE HZ 1 88 PHE QE 3.980 . 3.980 3.552 3.302 3.782 . 0 0 "[ . 1 . 2]" 1
474 1 88 PHE HA 1 88 PHE QE 4.140 . 4.140 4.139 4.098 4.164 0.024 19 0 "[ . 1 . 2]" 1
475 1 105 TYR QD 1 106 PRO QD 3.700 . 3.700 2.857 2.598 3.382 . 0 0 "[ . 1 . 2]" 1
476 1 85 VAL HA 1 88 PHE QE 4.460 . 4.460 4.380 4.078 4.484 0.024 20 0 "[ . 1 . 2]" 1
477 1 35 VAL QG 1 88 PHE QE 4.120 . 4.120 2.922 2.678 3.241 . 0 0 "[ . 1 . 2]" 1
478 1 85 VAL QG 1 88 PHE QE 4.430 . 4.430 4.374 4.012 4.466 0.036 2 0 "[ . 1 . 2]" 1
479 1 71 VAL QG 1 88 PHE QE 3.370 . 3.370 2.435 2.085 2.917 . 0 0 "[ . 1 . 2]" 1
480 1 88 PHE QE 1 97 VAL MG2 4.040 . 4.040 2.879 2.588 3.112 . 0 0 "[ . 1 . 2]" 1
481 1 43 GLU H 1 43 GLU HG3 4.320 . 4.320 3.469 2.750 4.099 . 0 0 "[ . 1 . 2]" 1
482 1 43 GLU H 1 43 GLU HB3 3.680 . 3.680 3.697 3.666 3.734 0.054 1 0 "[ . 1 . 2]" 1
483 1 11 ASN HD22 1 14 GLU HG2 5.360 . 5.360 3.805 3.158 4.538 . 0 0 "[ . 1 . 2]" 1
484 1 115 ASN HB3 1 115 ASN HD22 4.020 . 4.020 3.803 3.317 4.035 0.015 6 0 "[ . 1 . 2]" 1
485 1 115 ASN H 1 115 ASN HD22 5.150 . 5.150 4.152 3.221 5.321 0.171 16 0 "[ . 1 . 2]" 1
486 1 72 ASN HD22 1 97 VAL HA 4.960 . 4.960 3.207 2.855 3.953 . 0 0 "[ . 1 . 2]" 1
487 1 8 PHE QE 1 78 GLY H 3.920 . 3.920 3.265 3.114 3.392 . 0 0 "[ . 1 . 2]" 1
488 1 8 PHE QE 1 10 ARG HA 4.240 . 4.240 2.100 1.938 2.453 . 0 0 "[ . 1 . 2]" 1
489 1 8 PHE QE 1 78 GLY HA3 3.980 . 3.980 2.292 1.986 2.499 . 0 0 "[ . 1 . 2]" 1
490 1 8 PHE QE 1 10 ARG QD 4.260 . 4.260 3.200 2.513 3.600 . 0 0 "[ . 1 . 2]" 1
491 1 8 PHE QE 1 42 ASP HA 4.050 . 4.050 3.951 3.608 4.135 0.085 5 0 "[ . 1 . 2]" 1
492 1 8 PHE QE 1 10 ARG HG3 3.700 . 3.700 3.442 3.338 3.556 . 0 0 "[ . 1 . 2]" 1
493 1 8 PHE QE 1 44 PHE HA 3.970 . 3.970 2.280 2.086 2.556 . 0 0 "[ . 1 . 2]" 1
494 1 8 PHE QE 1 78 GLY HA2 3.990 . 3.990 3.510 3.357 3.606 . 0 0 "[ . 1 . 2]" 1
495 1 8 PHE QE 1 77 LEU HB3 4.300 . 4.300 3.634 3.489 3.828 . 0 0 "[ . 1 . 2]" 1
496 1 8 PHE QE 1 10 ARG HB2 4.190 . 4.190 3.990 3.849 4.197 0.007 16 0 "[ . 1 . 2]" 1
497 1 8 PHE QE 1 10 ARG HG2 3.550 . 3.550 1.830 1.793 1.864 0.007 16 0 "[ . 1 . 2]" 1
498 1 33 PHE HZ 1 88 PHE HZ 3.470 . 3.470 3.217 2.884 3.476 0.006 10 0 "[ . 1 . 2]" 1
499 1 68 ILE MD 1 88 PHE HZ 3.560 . 3.560 3.467 3.167 3.633 0.073 8 0 "[ . 1 . 2]" 1
500 1 71 VAL QG 1 88 PHE HZ 3.580 . 3.580 3.000 2.300 3.635 0.055 2 0 "[ . 1 . 2]" 1
501 1 68 ILE MG 1 88 PHE HZ 4.130 . 4.130 3.040 2.756 3.296 . 0 0 "[ . 1 . 2]" 1
502 1 88 PHE HZ 1 99 LEU QD 3.350 . 3.350 2.396 2.187 2.572 . 0 0 "[ . 1 . 2]" 1
503 1 31 PHE HA 1 31 PHE QD 3.130 . 3.130 2.587 2.432 2.652 . 0 0 "[ . 1 . 2]" 1
504 1 31 PHE QD 1 88 PHE QB 4.120 . 4.120 3.286 2.908 3.694 . 0 0 "[ . 1 . 2]" 1
505 1 26 LYS QE 1 31 PHE QD 5.110 . 5.110 4.182 3.879 4.562 . 0 0 "[ . 1 . 2]" 1
506 1 24 LEU MD1 1 31 PHE QD 4.960 . 4.960 1.784 1.773 1.798 0.027 20 0 "[ . 1 . 2]" 1
507 1 26 LYS H 1 31 PHE QD 4.530 . 4.530 3.894 3.236 4.116 . 0 0 "[ . 1 . 2]" 1
508 1 25 ARG H 1 31 PHE QD 4.850 . 4.850 4.765 4.339 4.904 0.054 3 0 "[ . 1 . 2]" 1
509 1 44 PHE HA 1 44 PHE QE 3.860 . 3.860 4.027 4.004 4.048 0.188 4 0 "[ . 1 . 2]" 1
510 1 8 PHE HA 1 44 PHE QE 3.600 . 3.600 2.730 2.443 2.926 . 0 0 "[ . 1 . 2]" 1
511 1 15 LEU QD 1 44 PHE QE 3.530 . 3.530 2.206 1.923 2.605 . 0 0 "[ . 1 . 2]" 1
512 1 9 THR H 1 44 PHE QE 3.410 . 3.410 3.198 2.855 3.441 0.031 4 0 "[ . 1 . 2]" 1
513 1 44 PHE QE 1 67 VAL MG2 4.370 . 4.370 3.594 3.298 3.978 . 0 0 "[ . 1 . 2]" 1
514 1 37 GLY H 1 81 HIS HD2 4.850 . 4.850 4.166 3.884 4.340 . 0 0 "[ . 1 . 2]" 1
515 1 36 VAL HA 1 81 HIS HD2 5.180 . 5.180 4.474 4.105 4.735 . 0 0 "[ . 1 . 2]" 1
516 1 81 HIS HA 1 81 HIS HD2 3.620 . 3.620 2.878 2.674 3.105 . 0 0 "[ . 1 . 2]" 1
517 1 81 HIS HB2 1 81 HIS HD2 3.950 . 3.950 2.848 2.772 2.943 . 0 0 "[ . 1 . 2]" 1
518 1 35 VAL QG 1 81 HIS HD2 3.740 . 3.740 3.799 3.742 3.828 0.088 15 0 "[ . 1 . 2]" 1
519 1 8 PHE HZ 1 10 ARG H 4.730 . 4.730 4.638 4.491 4.728 . 0 0 "[ . 1 . 2]" 1
520 1 8 PHE HZ 1 77 LEU HA 4.640 . 4.640 4.042 3.891 4.174 . 0 0 "[ . 1 . 2]" 1
521 1 8 PHE HZ 1 10 ARG HA 4.320 . 4.320 3.736 3.584 3.893 . 0 0 "[ . 1 . 2]" 1
522 1 8 PHE HZ 1 78 GLY H 4.210 . 4.210 3.408 3.314 3.534 . 0 0 "[ . 1 . 2]" 1
523 1 8 PHE HZ 1 78 GLY HA3 3.720 . 3.720 3.054 2.847 3.279 . 0 0 "[ . 1 . 2]" 1
524 1 8 PHE HZ 1 10 ARG HG2 4.090 . 4.090 4.166 4.129 4.205 0.115 13 0 "[ . 1 . 2]" 1
525 1 33 PHE QD 1 34 THR H 4.060 . 4.060 3.296 3.210 3.375 . 0 0 "[ . 1 . 2]" 1
526 1 33 PHE HA 1 33 PHE QD 3.760 . 3.760 3.730 3.701 3.752 . 0 0 "[ . 1 . 2]" 1
527 1 9 THR H 1 44 PHE HZ 4.090 . 4.090 3.214 2.855 3.485 . 0 0 "[ . 1 . 2]" 1
528 1 31 PHE HB2 1 33 PHE QD 3.670 . 3.670 3.626 3.533 3.701 0.031 13 0 "[ . 1 . 2]" 1
529 1 31 PHE HB3 1 33 PHE QD 3.810 . 3.810 2.394 2.288 2.512 . 0 0 "[ . 1 . 2]" 1
530 1 33 PHE QD 1 56 ALA MB 3.310 . 3.310 2.762 2.350 3.015 . 0 0 "[ . 1 . 2]" 1
531 1 33 PHE QD 1 35 VAL QG 3.490 . 3.490 2.581 1.966 3.218 . 0 0 "[ . 1 . 2]" 1
532 1 9 THR MG 1 44 PHE HZ 3.560 . 3.560 3.482 3.081 3.743 0.183 4 0 "[ . 1 . 2]" 1
533 1 33 PHE QD 1 47 ILE MG 3.900 . 3.900 2.515 2.075 2.828 . 0 0 "[ . 1 . 2]" 1
534 1 7 PHE QD 1 44 PHE HZ 3.490 . 3.490 3.594 3.533 3.646 0.156 6 0 "[ . 1 . 2]" 1
535 1 15 LEU QD 1 44 PHE HZ 3.230 . 3.230 1.826 1.763 2.069 0.037 12 0 "[ . 1 . 2]" 1
536 1 67 VAL MG2 1 105 TYR QE 4.920 . 4.920 4.735 3.981 4.960 0.040 1 0 "[ . 1 . 2]" 1
537 1 15 LEU HB3 1 44 PHE HZ 3.940 . 3.940 4.066 3.956 4.164 0.224 1 0 "[ . 1 . 2]" 1
538 1 67 VAL MG1 1 105 TYR QE 4.020 . 4.020 3.611 3.165 3.931 . 0 0 "[ . 1 . 2]" 1
539 1 105 TYR H 1 105 TYR QE 4.660 . 4.660 4.681 4.499 4.768 0.108 2 0 "[ . 1 . 2]" 1
540 1 46 GLN HE22 1 108 PRO HD3 5.190 . 5.190 2.796 2.591 3.204 . 0 0 "[ . 1 . 2]" 1
541 1 46 GLN HE22 1 107 LEU HA 4.010 . 4.010 3.330 2.976 3.629 . 0 0 "[ . 1 . 2]" 1
542 1 24 LEU MD1 1 33 PHE QE 5.380 . 5.380 3.260 2.924 3.527 . 0 0 "[ . 1 . 2]" 1
543 1 33 PHE QE 1 34 THR H 5.270 . 5.270 5.336 5.303 5.362 0.092 19 0 "[ . 1 . 2]" 1
544 1 31 PHE HA 1 33 PHE QE 4.280 . 4.280 4.178 4.020 4.303 0.023 18 0 "[ . 1 . 2]" 1
545 1 31 PHE HB3 1 33 PHE QE 3.560 . 3.560 2.221 2.113 2.370 . 0 0 "[ . 1 . 2]" 1
546 1 33 PHE QE 1 47 ILE MG 5.020 . 5.020 4.432 4.019 4.719 . 0 0 "[ . 1 . 2]" 1
547 1 33 PHE QE 1 88 PHE QD 5.110 . 5.110 4.894 4.590 5.122 0.012 6 0 "[ . 1 . 2]" 1
548 1 31 PHE QD 1 33 PHE QE 3.520 . 3.520 2.858 2.609 3.079 . 0 0 "[ . 1 . 2]" 1
549 1 31 PHE HB2 1 33 PHE QE 3.480 . 3.480 3.509 3.487 3.541 0.061 14 0 "[ . 1 . 2]" 1
550 1 24 LEU HG 1 33 PHE QE 3.300 . 3.300 2.093 1.889 2.452 . 0 0 "[ . 1 . 2]" 1
551 1 33 PHE QE 1 68 ILE MD 3.890 . 3.890 3.438 3.064 3.843 . 0 0 "[ . 1 . 2]" 1
552 1 33 PHE QE 1 68 ILE HG13 3.660 . 3.660 2.733 2.439 3.175 . 0 0 "[ . 1 . 2]" 1
553 1 79 HIS H 1 79 HIS HD2 5.250 . 5.250 5.191 5.137 5.255 0.005 8 0 "[ . 1 . 2]" 1
554 1 79 HIS HD2 1 84 VAL H 4.740 . 4.740 3.968 3.689 4.189 . 0 0 "[ . 1 . 2]" 1
555 1 76 VAL HA 1 79 HIS HD2 4.230 . 4.230 3.935 3.687 4.261 0.031 16 0 "[ . 1 . 2]" 1
556 1 79 HIS HD2 1 84 VAL HA 4.210 . 4.210 3.621 3.268 3.797 . 0 0 "[ . 1 . 2]" 1
557 1 79 HIS HB3 1 79 HIS HD2 3.850 . 3.850 2.655 2.591 2.693 . 0 0 "[ . 1 . 2]" 1
558 1 79 HIS HD2 1 83 GLN HB2 3.850 . 3.850 2.999 2.767 3.234 . 0 0 "[ . 1 . 2]" 1
559 1 79 HIS HD2 1 83 GLN HG3 4.860 . 4.860 3.744 3.588 3.942 . 0 0 "[ . 1 . 2]" 1
560 1 76 VAL HB 1 79 HIS HD2 4.440 . 4.440 4.037 3.137 4.526 0.086 4 0 "[ . 1 . 2]" 1
561 1 79 HIS HD2 1 83 GLN HB3 3.490 . 3.490 1.919 1.839 1.969 . 0 0 "[ . 1 . 2]" 1
562 1 79 HIS HD2 1 84 VAL MG1 4.060 . 4.060 3.320 2.890 3.739 . 0 0 "[ . 1 . 2]" 1
563 1 76 VAL QG 1 79 HIS HD2 . . 4.270 2.452 2.059 3.356 . 0 0 "[ . 1 . 2]" 1
564 1 8 PHE QD 1 44 PHE H 3.850 . 3.850 3.044 2.726 3.272 . 0 0 "[ . 1 . 2]" 1
565 1 8 PHE QD 1 9 THR H 3.900 . 3.900 2.844 2.668 3.108 . 0 0 "[ . 1 . 2]" 1
566 1 8 PHE QD 1 44 PHE HA 4.350 . 4.350 3.555 3.330 3.721 . 0 0 "[ . 1 . 2]" 1
567 1 8 PHE QD 1 43 GLU HA 3.730 . 3.730 2.874 2.409 3.126 . 0 0 "[ . 1 . 2]" 1
568 1 8 PHE QD 1 9 THR HB 4.950 . 4.950 4.996 4.961 5.040 0.090 1 0 "[ . 1 . 2]" 1
569 1 8 PHE QD 1 9 THR HA 4.130 . 4.130 3.242 3.036 3.345 . 0 0 "[ . 1 . 2]" 1
570 1 8 PHE HA 1 8 PHE QD 3.410 . 3.410 3.025 2.986 3.068 . 0 0 "[ . 1 . 2]" 1
571 1 8 PHE QD 1 42 ASP HA 4.330 . 4.330 2.860 2.760 2.945 . 0 0 "[ . 1 . 2]" 1
572 1 8 PHE QD 1 42 ASP HB2 4.700 . 4.700 4.750 4.699 4.885 0.185 15 0 "[ . 1 . 2]" 1
573 1 6 PRO QG 1 8 PHE QD 5.240 . 5.240 3.201 2.529 4.477 . 0 0 "[ . 1 . 2]" 1
574 1 8 PHE QD 1 10 ARG HG2 4.970 . 4.970 2.152 1.965 2.505 . 0 0 "[ . 1 . 2]" 1
575 1 8 PHE QD 1 77 LEU MD1 5.500 . 5.500 4.520 4.349 4.676 . 0 0 "[ . 1 . 2]" 1
576 1 33 PHE HZ 1 88 PHE QD 5.040 . 5.040 4.609 4.287 4.862 . 0 0 "[ . 1 . 2]" 1
577 1 33 PHE HZ 1 35 VAL QG 4.850 . 4.850 3.624 3.157 3.803 . 0 0 "[ . 1 . 2]" 1
578 1 33 PHE HZ 1 99 LEU QD 4.250 . 4.250 2.437 2.188 2.737 . 0 0 "[ . 1 . 2]" 1
579 1 33 PHE HZ 1 68 ILE MD 4.690 . 4.690 3.553 3.389 3.870 . 0 0 "[ . 1 . 2]" 1
580 1 25 ARG QG 1 96 SER HA . . 5.010 3.818 3.435 4.557 . 0 0 "[ . 1 . 2]" 1
581 1 23 LYS HA 1 62 MET ME 5.050 . 5.050 5.033 4.267 5.165 0.115 9 0 "[ . 1 . 2]" 1
582 1 113 ASP HA 1 114 PRO HB2 4.670 . 4.670 4.997 4.869 5.043 0.373 20 0 "[ . 1 . 2]" 1
583 1 23 LYS HA 1 97 VAL HA 4.370 . 4.370 4.481 4.421 4.533 0.163 5 0 "[ . 1 . 2]" 1
584 1 97 VAL HA 1 97 VAL MG1 3.000 . 3.000 2.223 2.172 2.262 . 0 0 "[ . 1 . 2]" 1
585 1 23 LYS QG 1 97 VAL HA 3.440 . 3.440 3.397 3.118 3.568 0.128 10 0 "[ . 1 . 2]" 1
586 1 110 ASP HA 1 111 PRO HD2 3.990 . 3.990 2.318 2.025 2.422 . 0 0 "[ . 1 . 2]" 1
587 1 96 SER QB 1 97 VAL HA 3.680 . 3.680 3.888 3.840 3.923 0.243 17 0 "[ . 1 . 2]" 1
588 1 110 ASP HA 1 112 ASP H 3.970 . 3.970 3.975 3.307 4.055 0.085 5 0 "[ . 1 . 2]" 1
589 1 35 VAL QG 1 36 VAL HA 3.610 . 3.610 3.395 3.070 3.659 0.049 3 0 "[ . 1 . 2]" 1
590 1 36 VAL HA 1 36 VAL MG2 2.810 . 2.810 2.309 2.179 2.402 . 0 0 "[ . 1 . 2]" 1
591 1 25 ARG HA 1 96 SER QB . . 3.260 2.572 2.210 2.735 . 0 0 "[ . 1 . 2]" 1
592 1 65 GLY HA3 1 107 LEU HA 3.060 . 3.060 3.046 2.382 3.216 0.156 1 0 "[ . 1 . 2]" 1
593 1 65 GLY HA3 1 107 LEU MD1 4.260 . 4.260 3.725 3.089 4.119 . 0 0 "[ . 1 . 2]" 1
594 1 115 ASN HA 1 121 SER H 3.770 . 3.770 2.884 2.033 3.811 0.041 8 0 "[ . 1 . 2]" 1
595 1 87 ILE MG 1 88 PHE HA 4.320 . 4.320 3.291 3.175 3.408 . 0 0 "[ . 1 . 2]" 1
596 1 88 PHE HA 1 90 SER H 4.110 . 4.110 3.856 3.728 4.040 . 0 0 "[ . 1 . 2]" 1
597 1 88 PHE HA 1 97 VAL MG2 4.300 . 4.300 4.384 4.324 4.469 0.169 1 0 "[ . 1 . 2]" 1
598 1 39 ASP HA 1 81 HIS HB3 4.690 . 4.690 4.130 3.041 4.705 0.015 10 0 "[ . 1 . 2]" 1
599 1 30 GLY HA2 1 31 PHE HA 4.860 . 4.860 4.339 4.294 4.385 . 0 0 "[ . 1 . 2]" 1
600 1 25 ARG QD 1 27 SER HB2 4.990 . 4.990 3.806 3.089 4.788 . 0 0 "[ . 1 . 2]" 1
601 1 28 SER HB2 1 29 ARG H 4.420 . 4.420 2.780 2.497 3.811 . 0 0 "[ . 1 . 2]" 1
602 1 12 PRO HB2 1 13 SER QB 4.480 . 4.480 4.364 4.087 4.574 0.094 16 0 "[ . 1 . 2]" 1
603 1 69 VAL HA 1 77 LEU HA 3.180 . 3.180 2.331 2.242 2.408 . 0 0 "[ . 1 . 2]" 1
604 1 68 ILE HA 1 101 LEU H 4.810 . 4.810 4.938 4.877 4.991 0.181 18 0 "[ . 1 . 2]" 1
605 1 22 THR HB 1 61 LYS HB2 4.400 . 4.400 3.132 2.444 4.110 . 0 0 "[ . 1 . 2]" 1
606 1 49 SER HB2 1 64 THR HA 3.660 . 3.660 3.906 3.858 3.951 0.291 13 0 "[ . 1 . 2]" 1
607 1 49 SER HA 1 49 SER HB2 2.950 . 2.950 2.170 2.123 2.210 . 0 0 "[ . 1 . 2]" 1
608 1 16 LYS HB3 1 17 GLY HA2 4.850 . 4.850 4.274 4.146 4.457 . 0 0 "[ . 1 . 2]" 1
609 1 54 GLY HA2 1 55 PRO HD2 2.940 . 2.940 2.360 2.060 2.689 . 0 0 "[ . 1 . 2]" 1
610 1 91 ILE HA 1 92 PRO HD3 3.510 . 3.510 1.776 1.750 1.791 0.050 9 0 "[ . 1 . 2]" 1
611 1 69 VAL QG 1 70 SER HB2 4.920 . 4.920 3.679 3.491 3.966 . 0 0 "[ . 1 . 2]" 1
612 1 23 LYS QD 1 96 SER QB . . 3.870 2.067 1.785 2.459 0.015 20 0 "[ . 1 . 2]" 1
613 1 88 PHE QB 1 91 ILE MD 5.500 . 5.500 4.822 4.538 5.081 . 0 0 "[ . 1 . 2]" 1
614 1 96 SER QB 1 97 VAL MG2 4.750 . 4.750 3.935 3.854 4.175 . 0 0 "[ . 1 . 2]" 1
615 1 24 LEU H 1 96 SER QB 4.700 . 4.700 4.088 3.910 4.711 0.011 4 0 "[ . 1 . 2]" 1
616 1 25 ARG HB3 1 96 SER QB 4.580 . 4.580 4.649 4.346 4.692 0.112 20 0 "[ . 1 . 2]" 1
617 1 70 SER HB3 1 74 THR H 4.060 . 4.060 3.415 2.676 3.687 . 0 0 "[ . 1 . 2]" 1
618 1 70 SER HB3 1 75 CYS HA 4.260 . 4.260 3.013 2.831 3.126 . 0 0 "[ . 1 . 2]" 1
619 1 70 SER HB3 1 100 GLU QB . . 3.970 3.397 3.246 3.824 . 0 0 "[ . 1 . 2]" 1
620 1 70 SER HB3 1 76 VAL QG 5.210 . 5.210 3.902 3.511 4.201 . 0 0 "[ . 1 . 2]" 1
621 1 107 LEU MD1 1 108 PRO HD3 4.870 . 4.870 4.927 4.799 4.965 0.095 19 0 "[ . 1 . 2]" 1
622 1 65 GLY HA2 1 107 LEU HG 4.350 . 4.350 2.825 2.323 3.093 . 0 0 "[ . 1 . 2]" 1
623 1 65 GLY HA2 1 107 LEU MD1 4.540 . 4.540 4.187 3.903 4.342 . 0 0 "[ . 1 . 2]" 1
624 1 85 VAL HA 1 88 PHE QB 4.230 . 4.230 2.637 2.534 2.786 . 0 0 "[ . 1 . 2]" 1
625 1 7 PHE HB2 1 105 TYR QE 4.500 . 4.500 4.307 3.685 4.539 0.039 17 0 "[ . 1 . 2]" 1
626 1 33 PHE HB2 1 50 LEU HA 4.320 . 4.320 3.852 3.677 3.975 . 0 0 "[ . 1 . 2]" 1
627 1 103 ARG HD2 1 103 ARG QH2 4.200 . 4.200 4.014 3.844 4.207 0.007 6 0 "[ . 1 . 2]" 1
628 1 75 CYS H 1 75 CYS HB2 3.340 . 3.340 2.386 2.260 2.458 . 0 0 "[ . 1 . 2]" 1
629 1 75 CYS HB2 1 76 VAL H 4.580 . 4.580 4.342 4.257 4.408 . 0 0 "[ . 1 . 2]" 1
630 1 74 THR HA 1 75 CYS HB2 4.250 . 4.250 4.312 4.213 4.348 0.098 14 0 "[ . 1 . 2]" 1
631 1 31 PHE HB2 1 33 PHE HZ 4.870 . 4.870 4.781 4.560 4.918 0.048 5 0 "[ . 1 . 2]" 1
632 1 109 PHE QB 1 110 ASP H 3.840 . 3.840 3.524 3.340 3.741 . 0 0 "[ . 1 . 2]" 1
633 1 8 PHE HA 1 44 PHE HZ 3.860 . 3.860 2.572 2.316 2.783 . 0 0 "[ . 1 . 2]" 1
634 1 8 PHE HA 1 9 THR H 3.220 . 3.220 2.167 2.124 2.228 . 0 0 "[ . 1 . 2]" 1
635 1 8 PHE HA 1 9 THR HA 4.440 . 4.440 4.381 4.339 4.425 . 0 0 "[ . 1 . 2]" 1
636 1 72 ASN HB2 1 74 THR H 3.650 . 3.650 3.439 3.160 3.688 0.038 9 0 "[ . 1 . 2]" 1
637 1 93 ILE HA 1 94 GLY H 3.040 . 3.040 2.010 1.969 2.047 . 0 0 "[ . 1 . 2]" 1
638 1 79 HIS HB3 1 80 THR H 3.290 . 3.290 1.693 1.671 1.708 0.129 8 0 "[ . 1 . 2]" 1
639 1 26 LYS HA 1 27 SER H 3.020 . 3.020 2.077 2.022 2.156 . 0 0 "[ . 1 . 2]" 1
640 1 26 LYS HA 1 31 PHE QD 3.860 . 3.860 3.398 2.880 3.536 . 0 0 "[ . 1 . 2]" 1
641 1 79 HIS HB3 1 83 GLN HB2 4.340 . 4.340 2.603 2.392 2.907 . 0 0 "[ . 1 . 2]" 1
642 1 105 TYR HB2 1 106 PRO QD 3.790 . 3.790 3.831 3.769 3.865 0.075 14 0 "[ . 1 . 2]" 1
643 1 55 PRO HD3 1 56 ALA H 4.900 . 4.900 4.041 3.934 4.092 . 0 0 "[ . 1 . 2]" 1
644 1 54 GLY HA3 1 55 PRO HD3 4.010 . 4.010 3.409 3.203 3.628 . 0 0 "[ . 1 . 2]" 1
645 1 19 PHE HB2 1 20 ILE H 4.100 . 4.100 4.139 4.103 4.174 0.074 6 0 "[ . 1 . 2]" 1
646 1 71 VAL QG 1 72 ASN HB3 3.730 . 3.730 3.848 3.789 3.908 0.178 2 0 "[ . 1 . 2]" 1
647 1 105 TYR HB3 1 106 PRO QD 4.180 . 4.180 2.537 2.380 2.624 . 0 0 "[ . 1 . 2]" 1
648 1 51 VAL HB 1 53 ASP HB2 4.200 . 4.200 4.283 4.196 4.344 0.144 18 0 "[ . 1 . 2]" 1
649 1 115 ASN HB3 1 116 THR H 4.430 . 4.430 3.859 3.243 4.252 . 0 0 "[ . 1 . 2]" 1
650 1 11 ASN HB2 1 14 GLU HG3 4.520 . 4.520 3.547 2.811 3.804 . 0 0 "[ . 1 . 2]" 1
651 1 75 CYS H 1 75 CYS HB3 3.300 . 3.300 2.640 2.457 3.396 0.096 5 0 "[ . 1 . 2]" 1
652 1 59 ASP HB2 1 61 LYS H 4.440 . 4.440 4.210 4.065 4.451 0.011 19 0 "[ . 1 . 2]" 1
653 1 59 ASP HA 1 59 ASP HB2 3.050 . 3.050 2.646 2.484 2.820 . 0 0 "[ . 1 . 2]" 1
654 1 56 ALA HA 1 59 ASP HB2 3.870 . 3.870 3.877 3.522 3.930 0.060 13 0 "[ . 1 . 2]" 1
655 1 74 THR MG 1 75 CYS HB3 5.150 . 5.150 4.200 3.885 5.044 . 0 0 "[ . 1 . 2]" 1
656 1 110 ASP HB2 1 116 THR MG 4.750 . 4.750 2.439 1.929 3.014 . 0 0 "[ . 1 . 2]" 1
657 1 39 ASP HA 1 39 ASP HB2 2.970 . 2.970 2.762 2.530 3.006 0.036 3 0 "[ . 1 . 2]" 1
658 1 103 ARG HD3 1 103 ARG QH2 4.040 . 4.040 4.051 3.879 4.131 0.091 18 0 "[ . 1 . 2]" 1
659 1 20 ILE MD 1 103 ARG HD3 4.700 . 4.700 4.218 3.199 4.874 0.174 2 0 "[ . 1 . 2]" 1
660 1 112 ASP HB2 1 113 ASP H 4.060 . 4.060 4.139 3.724 4.246 0.186 8 0 "[ . 1 . 2]" 1
661 1 53 ASP H 1 53 ASP HB3 4.150 . 4.150 3.057 2.470 3.604 . 0 0 "[ . 1 . 2]" 1
662 1 55 PRO HB2 1 56 ALA H 4.060 . 4.060 3.094 2.907 3.244 . 0 0 "[ . 1 . 2]" 1
663 1 23 LYS HA 1 98 ASP QB 4.490 . 4.490 4.091 3.932 4.257 . 0 0 "[ . 1 . 2]" 1
664 1 97 VAL HA 1 98 ASP QB 4.820 . 4.820 4.438 3.892 4.681 . 0 0 "[ . 1 . 2]" 1
665 1 126 ASP HB2 1 127 LYS H 4.740 . 4.740 4.046 3.212 4.580 . 0 0 "[ . 1 . 2]" 1
666 1 126 ASP HA 1 126 ASP HB2 3.000 . 3.000 2.653 2.431 3.021 0.021 10 0 "[ . 1 . 2]" 1
667 1 72 ASN H 1 98 ASP QB . . 3.750 3.661 3.230 3.796 0.046 6 0 "[ . 1 . 2]" 1
668 1 85 VAL QG 1 89 GLN HG2 3.980 . 3.980 3.004 2.256 3.801 . 0 0 "[ . 1 . 2]" 1
669 1 86 LYS HA 1 89 GLN HG2 4.440 . 4.440 4.015 2.938 4.486 0.046 11 0 "[ . 1 . 2]" 1
670 1 8 PHE HB2 1 44 PHE QD 4.980 . 4.980 4.552 4.327 4.729 . 0 0 "[ . 1 . 2]" 1
671 1 8 PHE HB2 1 44 PHE HZ 5.040 . 5.040 4.841 4.444 5.061 0.021 9 0 "[ . 1 . 2]" 1
672 1 56 ALA HA 1 59 ASP HB3 4.020 . 4.020 3.797 3.207 4.115 0.095 18 0 "[ . 1 . 2]" 1
673 1 11 ASN H 1 11 ASN HB3 3.460 . 3.460 2.682 2.459 3.549 0.089 9 0 "[ . 1 . 2]" 1
674 1 11 ASN HB3 1 13 SER H 4.900 . 4.900 3.746 2.488 4.139 . 0 0 "[ . 1 . 2]" 1
675 1 11 ASN HB3 1 11 ASN HD21 3.620 . 3.620 2.982 2.212 3.572 . 0 0 "[ . 1 . 2]" 1
676 1 11 ASN HB3 1 11 ASN HD22 4.100 . 4.100 3.800 3.469 4.040 . 0 0 "[ . 1 . 2]" 1
677 1 7 PHE HA 1 8 PHE HB2 4.580 . 4.580 4.321 4.253 4.394 . 0 0 "[ . 1 . 2]" 1
678 1 11 ASN HB3 1 14 GLU H 4.490 . 4.490 2.806 2.203 3.129 . 0 0 "[ . 1 . 2]" 1
679 1 126 ASP H 1 126 ASP HB3 3.780 . 3.780 3.129 2.368 3.926 0.146 15 0 "[ . 1 . 2]" 1
680 1 32 GLY HA2 1 55 PRO HG2 4.240 . 4.240 4.115 3.887 4.289 0.049 4 0 "[ . 1 . 2]" 1
681 1 31 PHE QD 1 55 PRO HG2 4.550 . 4.550 4.599 4.550 4.654 0.104 13 0 "[ . 1 . 2]" 1
682 1 31 PHE HA 1 55 PRO HG2 3.770 . 3.770 2.973 2.672 3.219 . 0 0 "[ . 1 . 2]" 1
683 1 47 ILE HG12 1 66 ASP HB3 4.440 . 4.440 3.711 3.153 4.290 . 0 0 "[ . 1 . 2]" 1
684 1 113 ASP HB3 1 116 THR MG 4.230 . 4.230 2.626 2.099 3.866 . 0 0 "[ . 1 . 2]" 1
685 1 110 ASP HB3 1 111 PRO HD3 4.670 . 4.670 4.659 4.492 4.745 0.075 4 0 "[ . 1 . 2]" 1
686 1 89 GLN HA 1 89 GLN HG3 3.470 . 3.470 3.282 2.795 3.596 0.126 6 0 "[ . 1 . 2]" 1
687 1 79 HIS HB2 1 83 GLN HB2 4.580 . 4.580 4.238 4.065 4.515 . 0 0 "[ . 1 . 2]" 1
688 1 79 HIS HA 1 83 GLN HB2 4.570 . 4.570 4.678 4.643 4.731 0.161 6 0 "[ . 1 . 2]" 1
689 1 82 ALA MB 1 83 GLN HB2 4.360 . 4.360 4.283 4.170 4.373 0.013 16 0 "[ . 1 . 2]" 1
690 1 80 THR MG 1 83 GLN HB2 4.380 . 4.380 4.097 3.797 4.218 . 0 0 "[ . 1 . 2]" 1
691 1 6 PRO HB2 1 105 TYR QE 5.110 . 5.110 3.402 2.446 4.780 . 0 0 "[ . 1 . 2]" 1
692 1 42 ASP HB2 1 43 GLU H 4.550 . 4.550 4.170 3.073 4.374 . 0 0 "[ . 1 . 2]" 1
693 1 11 ASN HB3 1 14 GLU HB2 3.610 . 3.610 2.326 2.052 2.855 . 0 0 "[ . 1 . 2]" 1
694 1 14 GLU H 1 14 GLU HB2 3.820 . 3.820 2.361 2.231 2.446 . 0 0 "[ . 1 . 2]" 1
695 1 9 THR MG 1 14 GLU HB2 4.260 . 4.260 2.152 2.040 2.325 . 0 0 "[ . 1 . 2]" 1
696 1 11 ASN HB2 1 14 GLU HG2 4.360 . 4.360 3.700 3.006 4.069 . 0 0 "[ . 1 . 2]" 1
697 1 111 PRO HB2 1 112 ASP H 4.460 . 4.460 2.637 2.323 3.378 . 0 0 "[ . 1 . 2]" 1
698 1 14 GLU HA 1 14 GLU HB3 2.940 . 2.940 2.491 2.428 2.588 . 0 0 "[ . 1 . 2]" 1
699 1 114 PRO HB2 1 115 ASN H 4.670 . 4.670 2.863 2.163 3.332 . 0 0 "[ . 1 . 2]" 1
700 1 83 GLN HA 1 83 GLN HG3 3.380 . 3.380 3.483 2.317 3.590 0.210 18 0 "[ . 1 . 2]" 1
701 1 86 LYS HA 1 89 GLN HB2 3.290 . 3.290 2.111 2.025 2.234 . 0 0 "[ . 1 . 2]" 1
702 1 66 ASP HB2 1 102 CYS H 5.120 . 5.120 4.275 2.375 5.156 0.036 1 0 "[ . 1 . 2]" 1
703 1 11 ASN HD22 1 14 GLU HG3 5.160 . 5.160 4.773 4.190 5.267 0.107 16 0 "[ . 1 . 2]" 1
704 1 14 GLU HA 1 14 GLU HG3 3.700 . 3.700 3.723 3.677 3.746 0.046 4 0 "[ . 1 . 2]" 1
705 1 47 ILE HB 1 65 GLY H 3.760 . 3.760 1.760 1.736 1.797 0.064 10 0 "[ . 1 . 2]" 1
706 1 46 GLN HA 1 46 GLN HG2 3.710 . 3.710 2.648 2.526 2.765 . 0 0 "[ . 1 . 2]" 1
707 1 47 ILE HB 1 64 THR HA 3.160 . 3.160 2.430 2.325 2.501 . 0 0 "[ . 1 . 2]" 1
708 1 46 GLN HG2 1 67 VAL MG1 3.890 . 3.890 3.019 2.584 3.240 . 0 0 "[ . 1 . 2]" 1
709 1 12 PRO HB2 1 69 VAL QG . . 3.370 3.361 3.195 3.446 0.076 3 0 "[ . 1 . 2]" 1
710 1 63 GLU HA 1 63 GLU QG 3.250 . 3.250 2.645 2.392 3.095 . 0 0 "[ . 1 . 2]" 1
711 1 86 LYS HA 1 89 GLN HB3 3.310 . 3.310 3.435 3.395 3.487 0.177 7 0 "[ . 1 . 2]" 1
712 1 89 GLN HA 1 89 GLN HB3 2.970 . 2.970 2.671 2.634 2.720 . 0 0 "[ . 1 . 2]" 1
713 1 35 VAL HA 1 36 VAL HB 4.820 . 4.820 4.322 4.021 4.605 . 0 0 "[ . 1 . 2]" 1
714 1 15 LEU HB2 1 16 LYS H 4.380 . 4.380 3.600 2.922 4.140 . 0 0 "[ . 1 . 2]" 1
715 1 62 MET H 1 62 MET QG 3.730 . 3.730 3.727 2.106 3.864 0.134 9 0 "[ . 1 . 2]" 1
716 1 85 VAL H 1 85 VAL HB 3.170 . 3.170 2.508 2.452 2.535 . 0 0 "[ . 1 . 2]" 1
717 1 70 SER HB2 1 100 GLU QB 3.470 . 3.470 1.879 1.795 2.126 0.005 6 0 "[ . 1 . 2]" 1
718 1 100 GLU QB 1 101 LEU H 4.350 . 4.350 3.698 3.156 3.841 . 0 0 "[ . 1 . 2]" 1
719 1 29 ARG H 1 29 ARG HB2 3.860 . 3.860 2.492 2.317 2.763 . 0 0 "[ . 1 . 2]" 1
720 1 45 LEU HB2 1 45 LEU MD1 3.270 . 3.270 2.354 2.294 2.432 . 0 0 "[ . 1 . 2]" 1
721 1 71 VAL H 1 76 VAL HB 4.340 . 4.340 3.636 2.830 4.576 0.236 12 0 "[ . 1 . 2]" 1
722 1 76 VAL HB 1 79 HIS HB2 3.980 . 3.980 3.317 2.069 4.049 0.069 20 0 "[ . 1 . 2]" 1
723 1 67 VAL MG2 1 102 CYS QB 3.240 . 3.240 2.321 1.986 3.010 . 0 0 "[ . 1 . 2]" 1
724 1 102 CYS H 1 102 CYS QB 3.100 . 3.100 2.529 2.362 2.682 . 0 0 "[ . 1 . 2]" 1
725 1 19 PHE QD 1 102 CYS QB 3.470 . 3.470 2.417 2.200 2.976 . 0 0 "[ . 1 . 2]" 1
726 1 10 ARG HA 1 77 LEU HB3 3.000 . 3.000 3.009 2.901 3.076 0.076 10 0 "[ . 1 . 2]" 1
727 1 91 ILE HG13 1 92 PRO HD3 3.940 . 3.940 4.027 4.010 4.051 0.111 4 0 "[ . 1 . 2]" 1
728 1 100 GLU HA 1 100 GLU QG . . 3.920 2.562 2.307 2.906 . 0 0 "[ . 1 . 2]" 1
729 1 8 PHE HZ 1 77 LEU HG 4.380 . 4.380 2.743 2.481 2.938 . 0 0 "[ . 1 . 2]" 1
730 1 77 LEU HG 1 78 GLY H 5.080 . 5.080 3.789 3.694 3.902 . 0 0 "[ . 1 . 2]" 1
731 1 128 GLU H 1 128 GLU HB3 3.730 . 3.730 2.515 2.385 2.681 . 0 0 "[ . 1 . 2]" 1
732 1 11 ASN HA 1 12 PRO HG3 4.130 . 4.130 4.243 4.178 4.279 0.149 17 0 "[ . 1 . 2]" 1
733 1 86 LYS HB3 1 86 LYS QE 4.650 . 4.650 4.001 3.922 4.071 . 0 0 "[ . 1 . 2]" 1
734 1 87 ILE HA 1 87 ILE HG12 3.410 . 3.410 2.555 2.311 2.704 . 0 0 "[ . 1 . 2]" 1
735 1 26 LYS HB2 1 27 SER H 5.150 . 5.150 4.452 4.386 4.532 . 0 0 "[ . 1 . 2]" 1
736 1 26 LYS HB2 1 26 LYS QE 4.770 . 4.770 3.868 3.792 3.903 . 0 0 "[ . 1 . 2]" 1
737 1 26 LYS HB2 1 31 PHE QD 4.600 . 4.600 3.532 3.316 3.643 . 0 0 "[ . 1 . 2]" 1
738 1 26 LYS HB2 1 31 PHE HZ 3.640 . 3.640 2.775 2.677 3.165 . 0 0 "[ . 1 . 2]" 1
739 1 46 GLN HA 1 46 GLN HG3 3.770 . 3.770 3.332 3.099 3.475 . 0 0 "[ . 1 . 2]" 1
740 1 12 PRO QD 1 77 LEU HB2 3.600 . 3.600 3.609 3.384 3.666 0.066 9 0 "[ . 1 . 2]" 1
741 1 124 ILE H 1 124 ILE HB 3.530 . 3.530 2.788 2.581 3.632 0.102 11 0 "[ . 1 . 2]" 1
742 1 46 GLN HG3 1 67 VAL MG2 5.210 . 5.210 4.236 3.775 4.598 . 0 0 "[ . 1 . 2]" 1
743 1 62 MET H 1 62 MET HB2 3.590 . 3.590 2.631 2.196 3.675 0.085 4 0 "[ . 1 . 2]" 1
744 1 62 MET HB2 1 63 GLU H 4.290 . 4.290 4.099 2.441 4.319 0.029 13 0 "[ . 1 . 2]" 1
745 1 41 PRO HG3 1 80 THR MG 3.730 . 3.730 3.422 3.233 3.533 . 0 0 "[ . 1 . 2]" 1
746 1 87 ILE HB 1 88 PHE H 3.440 . 3.440 2.889 2.630 3.106 . 0 0 "[ . 1 . 2]" 1
747 1 87 ILE H 1 87 ILE HB 3.320 . 3.320 2.153 2.048 2.298 . 0 0 "[ . 1 . 2]" 1
748 1 86 LYS QE 1 87 ILE HB 4.130 . 4.130 4.281 4.243 4.362 0.232 1 0 "[ . 1 . 2]" 1
749 1 51 VAL H 1 51 VAL HB 3.340 . 3.340 2.565 2.478 2.661 . 0 0 "[ . 1 . 2]" 1
750 1 5 LYS HA 1 5 LYS QD 3.510 . 3.510 2.206 1.963 3.314 . 0 0 "[ . 1 . 2]" 1
751 1 19 PHE QD 1 69 VAL HB 3.520 . 3.520 3.565 3.524 3.614 0.094 15 0 "[ . 1 . 2]" 1
752 1 71 VAL H 1 71 VAL HB 3.480 . 3.480 3.074 2.503 3.711 0.231 9 0 "[ . 1 . 2]" 1
753 1 58 LEU H 1 58 LEU HB2 2.920 . 2.920 2.024 1.985 2.062 . 0 0 "[ . 1 . 2]" 1
754 1 127 LYS H 1 127 LYS HB3 4.010 . 4.010 3.211 2.506 4.058 0.048 9 0 "[ . 1 . 2]" 1
755 1 19 PHE QE 1 69 VAL HB 4.610 . 4.610 3.925 3.225 4.185 . 0 0 "[ . 1 . 2]" 1
756 1 58 LEU HA 1 58 LEU HG 2.860 . 2.860 2.506 2.408 2.609 . 0 0 "[ . 1 . 2]" 1
757 1 41 PRO HB3 1 80 THR MG 4.310 . 4.310 3.559 3.220 3.712 . 0 0 "[ . 1 . 2]" 1
758 1 5 LYS H 1 43 GLU HB3 3.340 . 3.340 3.392 2.949 3.542 0.202 5 0 "[ . 1 . 2]" 1
759 1 23 LYS QD 1 97 VAL H 4.060 . 4.060 3.891 3.146 4.099 0.039 10 0 "[ . 1 . 2]" 1
760 1 52 LEU H 1 52 LEU HG 3.090 . 3.090 3.003 2.145 3.229 0.139 4 0 "[ . 1 . 2]" 1
761 1 91 ILE H 1 91 ILE HG12 3.800 . 3.800 3.807 3.652 3.853 0.053 1 0 "[ . 1 . 2]" 1
762 1 86 LYS H 1 86 LYS HG2 4.500 . 4.500 4.430 4.277 4.496 . 0 0 "[ . 1 . 2]" 1
763 1 52 LEU H 1 52 LEU HB3 3.480 . 3.480 2.868 2.337 3.292 . 0 0 "[ . 1 . 2]" 1
764 1 22 THR HB 1 61 LYS HB3 3.560 . 3.560 2.214 1.870 2.769 . 0 0 "[ . 1 . 2]" 1
765 1 57 ALA H 1 57 ALA MB 3.300 . 3.300 2.228 2.191 2.254 . 0 0 "[ . 1 . 2]" 1
766 1 54 GLY H 1 57 ALA MB 3.700 . 3.700 3.228 2.823 3.681 . 0 0 "[ . 1 . 2]" 1
767 1 68 ILE H 1 68 ILE HG12 3.310 . 3.310 2.783 2.491 2.989 . 0 0 "[ . 1 . 2]" 1
768 1 24 LEU HA 1 24 LEU MD1 4.080 . 4.080 2.516 2.340 2.592 . 0 0 "[ . 1 . 2]" 1
769 1 107 LEU HB3 1 107 LEU MD1 3.630 . 3.630 2.374 2.270 2.580 . 0 0 "[ . 1 . 2]" 1
770 1 20 ILE HB 1 101 LEU H 4.180 . 4.180 3.621 3.090 4.190 0.010 1 0 "[ . 1 . 2]" 1
771 1 20 ILE H 1 20 ILE HB 3.690 . 3.690 2.603 2.414 2.778 . 0 0 "[ . 1 . 2]" 1
772 1 118 LEU H 1 118 LEU HG 4.410 . 4.410 3.383 1.905 4.524 0.114 5 0 "[ . 1 . 2]" 1
773 1 50 LEU HA 1 50 LEU HG 3.750 . 3.750 3.589 3.533 3.644 . 0 0 "[ . 1 . 2]" 1
774 1 49 SER HA 1 50 LEU HG 3.830 . 3.830 3.231 2.982 3.558 . 0 0 "[ . 1 . 2]" 1
775 1 99 LEU HA 1 99 LEU QD . . 3.500 2.133 2.045 2.261 . 0 0 "[ . 1 . 2]" 1
776 1 124 ILE HA 1 124 ILE QG 3.680 . 3.680 2.781 2.445 3.075 . 0 0 "[ . 1 . 2]" 1
777 1 29 ARG HB3 1 30 GLY H 4.880 . 4.880 3.614 3.014 4.338 . 0 0 "[ . 1 . 2]" 1
778 1 101 LEU H 1 101 LEU HG 3.900 . 3.900 2.917 2.308 3.982 0.082 20 0 "[ . 1 . 2]" 1
779 1 101 LEU HA 1 101 LEU HG 3.780 . 3.780 3.154 2.838 3.796 0.016 14 0 "[ . 1 . 2]" 1
780 1 29 ARG HB3 1 29 ARG QD 3.750 . 3.750 2.830 2.349 3.519 . 0 0 "[ . 1 . 2]" 1
781 1 24 LEU H 1 24 LEU HB3 4.040 . 4.040 2.850 2.770 2.962 . 0 0 "[ . 1 . 2]" 1
782 1 82 ALA H 1 82 ALA MB 3.080 . 3.080 2.237 2.213 2.259 . 0 0 "[ . 1 . 2]" 1
783 1 82 ALA MB 1 83 GLN H 3.570 . 3.570 2.478 2.387 2.562 . 0 0 "[ . 1 . 2]" 1
784 1 24 LEU HB3 1 31 PHE QD 3.760 . 3.760 2.337 2.205 2.467 . 0 0 "[ . 1 . 2]" 1
785 1 25 ARG H 1 25 ARG QG 4.510 . 4.510 3.949 3.915 4.018 . 0 0 "[ . 1 . 2]" 1
786 1 16 LYS HG2 1 17 GLY H 4.570 . 4.570 4.183 3.859 4.339 . 0 0 "[ . 1 . 2]" 1
787 1 15 LEU HA 1 16 LYS HG2 4.130 . 4.130 4.200 4.140 4.266 0.136 15 0 "[ . 1 . 2]" 1
788 1 25 ARG QG 1 27 SER H . . 4.310 3.529 3.086 4.049 . 0 0 "[ . 1 . 2]" 1
789 1 23 LYS QG 1 96 SER QB . . 3.810 2.020 1.841 2.595 . 0 0 "[ . 1 . 2]" 1
790 1 26 LYS QD 1 93 ILE H 5.140 . 5.140 4.059 3.965 4.248 . 0 0 "[ . 1 . 2]" 1
791 1 23 LYS HA 1 23 LYS QG 3.640 . 3.640 2.561 2.409 2.780 . 0 0 "[ . 1 . 2]" 1
792 1 61 LYS HA 1 61 LYS QG 3.060 . 3.060 2.471 2.060 2.848 . 0 0 "[ . 1 . 2]" 1
793 1 61 LYS H 1 61 LYS QG 3.930 . 3.930 3.085 2.306 4.020 0.090 7 0 "[ . 1 . 2]" 1
794 1 66 ASP HB2 1 101 LEU HB3 4.260 . 4.260 3.044 2.119 4.278 0.018 14 0 "[ . 1 . 2]" 1
795 1 50 LEU HB3 1 62 MET QG 4.620 . 4.620 3.957 3.286 4.808 0.188 18 0 "[ . 1 . 2]" 1
796 1 50 LEU H 1 50 LEU HB3 4.020 . 4.020 3.479 3.412 3.519 . 0 0 "[ . 1 . 2]" 1
797 1 22 THR HB 1 61 LYS QG 4.560 . 4.560 3.058 1.912 3.877 . 0 0 "[ . 1 . 2]" 1
798 1 49 SER HA 1 50 LEU HB3 4.930 . 4.930 4.287 4.149 4.397 . 0 0 "[ . 1 . 2]" 1
799 1 25 ARG QG 1 27 SER HA 4.730 . 4.730 2.835 2.538 3.349 . 0 0 "[ . 1 . 2]" 1
800 1 16 LYS HA 1 16 LYS HG3 3.680 . 3.680 3.200 2.916 3.473 . 0 0 "[ . 1 . 2]" 1
801 1 16 LYS H 1 16 LYS HG3 4.330 . 4.330 2.393 2.132 2.892 . 0 0 "[ . 1 . 2]" 1
802 1 15 LEU HA 1 16 LYS HG3 3.910 . 3.910 3.356 2.946 3.684 . 0 0 "[ . 1 . 2]" 1
803 1 26 LYS HB3 1 31 PHE QE 4.650 . 4.650 3.787 3.494 3.885 . 0 0 "[ . 1 . 2]" 1
804 1 26 LYS HB3 1 96 SER HA 3.860 . 3.860 3.909 3.868 3.963 0.103 10 0 "[ . 1 . 2]" 1
805 1 26 LYS HB3 1 30 GLY HA2 3.930 . 3.930 3.912 3.844 3.983 0.053 15 0 "[ . 1 . 2]" 1
806 1 26 LYS HB3 1 31 PHE QD 4.980 . 4.980 4.901 4.617 5.010 0.030 11 0 "[ . 1 . 2]" 1
807 1 116 THR H 1 116 THR MG 3.780 . 3.780 2.598 2.411 2.813 . 0 0 "[ . 1 . 2]" 1
808 1 64 THR HA 1 64 THR MG 3.460 . 3.460 2.386 2.262 2.421 . 0 0 "[ . 1 . 2]" 1
809 1 45 LEU H 1 45 LEU HB3 3.990 . 3.990 3.396 3.358 3.436 . 0 0 "[ . 1 . 2]" 1
810 1 45 LEU HB3 1 46 GLN H 4.200 . 4.200 2.962 2.848 3.051 . 0 0 "[ . 1 . 2]" 1
811 1 34 THR H 1 34 THR MG 4.060 . 4.060 2.758 2.596 2.842 . 0 0 "[ . 1 . 2]" 1
812 1 34 THR MG 1 49 SER HB3 4.470 . 4.470 4.529 4.478 4.566 0.096 2 0 "[ . 1 . 2]" 1
813 1 33 PHE HZ 1 62 MET ME 4.620 . 4.620 3.867 3.548 4.393 . 0 0 "[ . 1 . 2]" 1
814 1 33 PHE QD 1 62 MET ME 3.810 . 3.810 3.407 3.029 3.686 . 0 0 "[ . 1 . 2]" 1
815 1 33 PHE QE 1 62 MET ME 3.900 . 3.900 3.182 2.853 3.423 . 0 0 "[ . 1 . 2]" 1
816 1 26 LYS QD 1 95 ALA MB 3.260 . 3.260 2.941 2.841 3.107 . 0 0 "[ . 1 . 2]" 1
817 1 47 ILE MD 1 62 MET ME 3.590 . 3.590 2.952 2.641 3.498 . 0 0 "[ . 1 . 2]" 1
818 1 26 LYS QD 1 93 ILE HA 4.020 . 4.020 3.188 3.057 3.369 . 0 0 "[ . 1 . 2]" 1
819 1 80 THR HA 1 80 THR MG 3.270 . 3.270 2.315 2.236 2.388 . 0 0 "[ . 1 . 2]" 1
820 1 80 THR MG 1 83 GLN HG2 4.680 . 4.680 3.869 3.328 4.437 . 0 0 "[ . 1 . 2]" 1
821 1 77 LEU MD1 1 78 GLY H 4.520 . 4.520 2.931 2.814 3.021 . 0 0 "[ . 1 . 2]" 1
822 1 77 LEU H 1 77 LEU MD1 3.830 . 3.830 3.848 3.835 3.861 0.031 12 0 "[ . 1 . 2]" 1
823 1 74 THR HA 1 74 THR MG 3.120 . 3.120 2.386 2.319 2.438 . 0 0 "[ . 1 . 2]" 1
824 1 74 THR MG 1 75 CYS H 3.810 . 3.810 2.854 2.713 3.032 . 0 0 "[ . 1 . 2]" 1
825 1 44 PHE QE 1 77 LEU MD1 3.630 . 3.630 2.440 2.193 2.736 . 0 0 "[ . 1 . 2]" 1
826 1 77 LEU HA 1 77 LEU MD1 3.500 . 3.500 2.029 1.996 2.061 . 0 0 "[ . 1 . 2]" 1
827 1 74 THR MG 1 76 VAL HA 4.210 . 4.210 3.996 3.261 4.228 0.018 11 0 "[ . 1 . 2]" 1
828 1 69 VAL HA 1 77 LEU MD1 3.400 . 3.400 1.848 1.797 1.905 0.003 1 0 "[ . 1 . 2]" 1
829 1 36 VAL MG1 1 108 PRO HD3 4.490 . 4.490 4.319 3.620 4.607 0.117 7 0 "[ . 1 . 2]" 1
830 1 36 VAL MG1 1 48 LYS HA 4.550 . 4.550 2.517 2.163 3.203 . 0 0 "[ . 1 . 2]" 1
831 1 87 ILE HA 1 87 ILE HG13 3.410 . 3.410 3.305 2.856 3.543 0.133 17 0 "[ . 1 . 2]" 1
832 1 88 PHE HA 1 91 ILE MD 3.720 . 3.720 3.248 2.920 3.536 . 0 0 "[ . 1 . 2]" 1
833 1 91 ILE HA 1 91 ILE MD 3.980 . 3.980 3.684 3.639 3.726 . 0 0 "[ . 1 . 2]" 1
834 1 91 ILE MD 1 97 VAL MG2 3.720 . 3.720 2.138 2.057 2.237 . 0 0 "[ . 1 . 2]" 1
835 1 91 ILE MD 1 91 ILE MG 3.630 . 3.630 1.928 1.896 1.962 . 0 0 "[ . 1 . 2]" 1
836 1 35 VAL QG 1 45 LEU HA 4.100 . 4.100 3.621 3.114 4.199 0.099 4 0 "[ . 1 . 2]" 1
837 1 91 ILE MD 1 92 PRO HD3 4.260 . 4.260 4.384 4.359 4.401 0.141 9 0 "[ . 1 . 2]" 1
838 1 51 VAL MG1 1 52 LEU H 3.700 . 3.700 2.891 2.617 3.175 . 0 0 "[ . 1 . 2]" 1
839 1 51 VAL H 1 51 VAL MG1 3.940 . 3.940 3.750 3.703 3.791 . 0 0 "[ . 1 . 2]" 1
840 1 35 VAL HA 1 35 VAL QG 3.280 . 3.280 2.269 2.134 2.406 . 0 0 "[ . 1 . 2]" 1
841 1 51 VAL HA 1 51 VAL MG1 3.130 . 3.130 2.356 2.283 2.440 . 0 0 "[ . 1 . 2]" 1
842 1 35 VAL QG 1 47 ILE MD 3.880 . 3.880 2.768 2.147 3.458 . 0 0 "[ . 1 . 2]" 1
843 1 35 VAL H 1 35 VAL QG 3.720 . 3.720 2.276 2.100 2.596 . 0 0 "[ . 1 . 2]" 1
844 1 33 PHE QE 1 35 VAL QG 3.400 . 3.400 2.085 1.858 2.462 . 0 0 "[ . 1 . 2]" 1
845 1 85 VAL HA 1 85 VAL QG 2.910 . 2.910 2.139 2.122 2.147 . 0 0 "[ . 1 . 2]" 1
846 1 122 VAL H 1 122 VAL QG 3.560 . 3.560 2.244 1.833 3.273 . 0 0 "[ . 1 . 2]" 1
847 1 24 LEU MD2 1 33 PHE H 4.180 . 4.180 4.233 4.192 4.293 0.113 15 0 "[ . 1 . 2]" 1
848 1 9 THR MG 1 14 GLU HB3 3.520 . 3.520 2.462 2.095 2.836 . 0 0 "[ . 1 . 2]" 1
849 1 122 VAL QG 1 123 ALA H 4.250 . 4.250 3.306 2.611 3.828 . 0 0 "[ . 1 . 2]" 1
850 1 24 LEU MD2 1 59 ASP HB2 3.610 . 3.610 3.559 3.340 3.656 0.046 15 0 "[ . 1 . 2]" 1
851 1 36 VAL H 1 36 VAL MG2 3.600 . 3.600 3.838 3.777 3.882 0.282 17 0 "[ . 1 . 2]" 1
852 1 24 LEU HA 1 24 LEU MD2 3.140 . 3.140 2.081 2.008 2.171 . 0 0 "[ . 1 . 2]" 1
853 1 24 LEU MD2 1 56 ALA HA 3.300 . 3.300 1.860 1.829 1.896 . 0 0 "[ . 1 . 2]" 1
854 1 24 LEU MD2 1 56 ALA H 3.650 . 3.650 2.810 2.719 2.948 . 0 0 "[ . 1 . 2]" 1
855 1 51 VAL H 1 51 VAL MG2 3.430 . 3.430 2.023 1.847 2.246 . 0 0 "[ . 1 . 2]" 1
856 1 72 ASN H 1 97 VAL MG1 4.040 . 4.040 2.603 2.453 2.754 . 0 0 "[ . 1 . 2]" 1
857 1 99 LEU H 1 99 LEU QD 4.330 . 4.330 3.240 3.150 3.322 . 0 0 "[ . 1 . 2]" 1
858 1 24 LEU HG 1 31 PHE QD 3.220 . 3.220 2.862 2.421 3.240 0.020 15 0 "[ . 1 . 2]" 1
859 1 97 VAL H 1 97 VAL MG1 4.310 . 4.310 3.935 3.895 3.992 . 0 0 "[ . 1 . 2]" 1
860 1 84 VAL H 1 84 VAL MG1 3.570 . 3.570 2.076 1.939 2.301 . 0 0 "[ . 1 . 2]" 1
861 1 88 PHE QE 1 99 LEU QD 3.470 . 3.470 1.999 1.854 2.120 . 0 0 "[ . 1 . 2]" 1
862 1 97 VAL MG1 1 98 ASP H 3.670 . 3.670 2.798 2.661 2.918 . 0 0 "[ . 1 . 2]" 1
863 1 124 ILE HA 1 124 ILE MG 3.000 . 3.000 2.399 2.352 2.450 . 0 0 "[ . 1 . 2]" 1
864 1 79 HIS HB3 1 84 VAL MG1 3.330 . 3.330 2.195 1.955 2.352 . 0 0 "[ . 1 . 2]" 1
865 1 22 THR H 1 22 THR MG 3.490 . 3.490 2.308 2.076 2.504 . 0 0 "[ . 1 . 2]" 1
866 1 22 THR HA 1 22 THR MG 3.660 . 3.660 3.211 3.175 3.233 . 0 0 "[ . 1 . 2]" 1
867 1 68 ILE HA 1 68 ILE MD 3.310 . 3.310 2.074 2.022 2.135 . 0 0 "[ . 1 . 2]" 1
868 1 87 ILE HB 1 87 ILE MD 3.590 . 3.590 2.963 2.419 3.251 . 0 0 "[ . 1 . 2]" 1
869 1 45 LEU H 1 45 LEU MD1 4.530 . 4.530 2.861 2.711 2.982 . 0 0 "[ . 1 . 2]" 1
870 1 45 LEU MD1 1 46 GLN H 4.320 . 4.320 4.198 3.876 4.355 0.035 3 0 "[ . 1 . 2]" 1
871 1 45 LEU MD1 1 81 HIS H 4.210 . 4.210 3.610 3.419 3.770 . 0 0 "[ . 1 . 2]" 1
872 1 58 LEU MD2 1 59 ASP H 4.710 . 4.710 4.543 4.326 4.747 0.037 7 0 "[ . 1 . 2]" 1
873 1 7 PHE QE 1 15 LEU QD 3.840 . 3.840 2.969 2.240 3.369 . 0 0 "[ . 1 . 2]" 1
874 1 45 LEU MD1 1 81 HIS HD2 4.130 . 4.130 1.829 1.786 1.883 0.014 14 0 "[ . 1 . 2]" 1
875 1 45 LEU HA 1 45 LEU MD1 3.450 . 3.450 2.356 1.992 2.573 . 0 0 "[ . 1 . 2]" 1
876 1 15 LEU HA 1 15 LEU QD 3.370 . 3.370 2.189 1.809 2.323 . 0 0 "[ . 1 . 2]" 1
877 1 38 GLY QA 1 45 LEU MD1 3.130 . 3.130 1.848 1.697 2.026 0.103 16 0 "[ . 1 . 2]" 1
878 1 45 LEU MD1 1 81 HIS HB2 4.310 . 4.310 3.637 3.532 3.815 . 0 0 "[ . 1 . 2]" 1
879 1 50 LEU MD1 1 63 GLU HA 3.840 . 3.840 3.402 2.913 3.832 . 0 0 "[ . 1 . 2]" 1
880 1 50 LEU HA 1 50 LEU MD1 4.310 . 4.310 3.753 3.687 3.876 . 0 0 "[ . 1 . 2]" 1
881 1 50 LEU MD1 1 57 ALA HA 3.540 . 3.540 2.913 2.503 3.265 . 0 0 "[ . 1 . 2]" 1
882 1 93 ILE MG 1 94 GLY H 3.570 . 3.570 2.543 2.488 2.608 . 0 0 "[ . 1 . 2]" 1
883 1 28 SER HA 1 93 ILE MG 3.460 . 3.460 2.378 1.913 3.282 . 0 0 "[ . 1 . 2]" 1
884 1 30 GLY HA2 1 93 ILE MG 4.270 . 4.270 3.985 3.563 4.130 . 0 0 "[ . 1 . 2]" 1
885 1 93 ILE HA 1 93 ILE MG 3.310 . 3.310 2.591 2.524 2.622 . 0 0 "[ . 1 . 2]" 1
886 1 20 ILE MG 1 21 HIS H 3.550 . 3.550 2.329 2.089 2.884 . 0 0 "[ . 1 . 2]" 1
887 1 20 ILE HA 1 20 ILE MG 3.310 . 3.310 2.298 2.194 2.392 . 0 0 "[ . 1 . 2]" 1
888 1 20 ILE MG 1 22 THR HB 4.110 . 4.110 3.209 2.666 3.836 . 0 0 "[ . 1 . 2]" 1
889 1 69 VAL QG 1 101 LEU HA 3.830 . 3.830 3.093 2.302 3.370 . 0 0 "[ . 1 . 2]" 1
890 1 87 ILE HA 1 87 ILE MG 3.380 . 3.380 2.741 2.570 2.872 . 0 0 "[ . 1 . 2]" 1
891 1 69 VAL QG 1 102 CYS QB 3.240 . 3.240 2.144 2.035 2.344 . 0 0 "[ . 1 . 2]" 1
892 1 87 ILE MG 1 90 SER QB 3.550 . 3.550 3.382 3.042 3.552 0.002 3 0 "[ . 1 . 2]" 1
893 1 87 ILE MG 1 91 ILE MD 3.800 . 3.800 2.973 2.571 3.300 . 0 0 "[ . 1 . 2]" 1
894 1 87 ILE MD 1 87 ILE MG 3.350 . 3.350 2.009 1.826 2.122 . 0 0 "[ . 1 . 2]" 1
895 1 87 ILE MG 1 88 PHE QE 3.550 . 3.550 3.597 3.543 3.631 0.081 16 0 "[ . 1 . 2]" 1
896 1 71 VAL HA 1 71 VAL QG 3.290 . 3.290 2.284 2.138 2.513 . 0 0 "[ . 1 . 2]" 1
897 1 10 ARG HA 1 77 LEU MD2 3.490 . 3.490 2.092 1.953 2.235 . 0 0 "[ . 1 . 2]" 1
898 1 50 LEU MD2 1 57 ALA H 4.480 . 4.480 3.887 3.538 4.527 0.047 18 0 "[ . 1 . 2]" 1
899 1 33 PHE HA 1 50 LEU MD2 3.930 . 3.930 3.975 3.898 4.012 0.082 18 0 "[ . 1 . 2]" 1
900 1 50 LEU MD2 1 63 GLU HA 4.550 . 4.550 2.193 1.964 2.538 . 0 0 "[ . 1 . 2]" 1
901 1 50 LEU H 1 50 LEU MD2 4.010 . 4.010 3.683 3.144 3.932 . 0 0 "[ . 1 . 2]" 1
902 1 62 MET QG 1 101 LEU QD 3.520 . 3.520 2.227 1.934 3.426 . 0 0 "[ . 1 . 2]" 1
903 1 62 MET HA 1 101 LEU QD 3.820 . 3.820 2.329 2.094 2.710 . 0 0 "[ . 1 . 2]" 1
904 1 47 ILE MG 1 64 THR HA 3.470 . 3.470 2.676 2.518 2.848 . 0 0 "[ . 1 . 2]" 1
905 1 33 PHE HB2 1 47 ILE MG 3.790 . 3.790 1.898 1.831 2.018 . 0 0 "[ . 1 . 2]" 1
906 1 101 LEU H 1 101 LEU QD 4.020 . 4.020 3.170 2.238 3.526 . 0 0 "[ . 1 . 2]" 1
907 1 20 ILE HA 1 20 ILE MD 3.840 . 3.840 3.759 2.431 3.896 0.056 12 0 "[ . 1 . 2]" 1
908 1 47 ILE MD 1 47 ILE MG 3.320 . 3.320 2.007 1.977 2.028 . 0 0 "[ . 1 . 2]" 1
909 1 20 ILE MD 1 103 ARG HE 4.070 . 4.070 2.668 1.800 3.457 0.000 16 0 "[ . 1 . 2]" 1
910 1 66 ASP HB3 1 101 LEU QD 3.930 . 3.930 2.448 2.007 3.561 . 0 0 "[ . 1 . 2]" 1
911 1 101 LEU HA 1 101 LEU QD 3.500 . 3.500 2.298 2.028 3.218 . 0 0 "[ . 1 . 2]" 1
912 1 68 ILE MG 1 69 VAL H 3.860 . 3.860 2.681 2.535 2.796 . 0 0 "[ . 1 . 2]" 1
913 1 68 ILE HA 1 68 ILE MG 3.340 . 3.340 2.625 2.482 2.732 . 0 0 "[ . 1 . 2]" 1
914 1 45 LEU H 1 67 VAL MG1 5.300 . 5.300 5.346 5.269 5.380 0.080 8 0 "[ . 1 . 2]" 1
915 1 46 GLN HA 1 67 VAL MG1 4.210 . 4.210 4.304 4.236 4.401 0.191 10 0 "[ . 1 . 2]" 1
916 1 67 VAL MG1 1 105 TYR H 4.910 . 4.910 3.067 2.797 3.298 . 0 0 "[ . 1 . 2]" 1
917 1 67 VAL H 1 67 VAL MG1 3.760 . 3.760 1.974 1.915 2.054 . 0 0 "[ . 1 . 2]" 1
918 1 67 VAL HA 1 67 VAL MG1 3.610 . 3.610 3.043 2.991 3.105 . 0 0 "[ . 1 . 2]" 1
919 1 67 VAL MG1 1 105 TYR HB2 4.210 . 4.210 2.207 1.991 2.431 . 0 0 "[ . 1 . 2]" 1
920 1 67 VAL MG1 1 105 TYR HB3 3.910 . 3.910 3.566 3.341 3.807 . 0 0 "[ . 1 . 2]" 1
921 1 46 GLN HG3 1 67 VAL MG1 4.380 . 4.380 4.350 3.736 4.493 0.113 10 0 "[ . 1 . 2]" 1
922 1 67 VAL MG1 1 102 CYS QB 3.600 . 3.600 1.825 1.793 1.857 0.007 15 0 "[ . 1 . 2]" 1
923 1 67 VAL MG1 1 103 ARG H 4.350 . 4.350 4.369 4.227 4.428 0.078 16 0 "[ . 1 . 2]" 1
924 1 67 VAL MG1 1 102 CYS HA 3.910 . 3.910 3.897 3.842 3.950 0.040 20 0 "[ . 1 . 2]" 1
925 1 19 PHE HZ 1 67 VAL MG1 5.500 . 5.500 5.418 4.853 5.581 0.081 12 0 "[ . 1 . 2]" 1
926 1 17 GLY HA3 1 67 VAL MG1 4.810 . 4.810 4.528 4.401 4.826 0.016 2 0 "[ . 1 . 2]" 1
927 1 31 PHE HZ 1 97 VAL MG2 4.300 . 4.300 2.493 1.988 2.705 . 0 0 "[ . 1 . 2]" 1
928 1 96 SER HA 1 97 VAL MG2 4.390 . 4.390 3.007 2.916 3.089 . 0 0 "[ . 1 . 2]" 1
929 1 31 PHE QD 1 97 VAL MG2 3.940 . 3.940 3.457 3.335 3.603 . 0 0 "[ . 1 . 2]" 1
930 1 33 PHE QD 1 68 ILE HG13 4.770 . 4.770 4.497 4.169 4.795 0.025 11 0 "[ . 1 . 2]" 1
931 1 33 PHE HZ 1 68 ILE HG13 3.760 . 3.760 3.795 3.770 3.833 0.073 15 0 "[ . 1 . 2]" 1
932 1 23 LYS HA 1 97 VAL MG2 4.250 . 4.250 4.459 4.431 4.475 0.225 10 0 "[ . 1 . 2]" 1
933 1 98 ASP HA 1 99 LEU HG 4.310 . 4.310 3.804 3.558 3.942 . 0 0 "[ . 1 . 2]" 1
934 1 99 LEU HA 1 99 LEU HG 3.930 . 3.930 3.166 3.026 3.266 . 0 0 "[ . 1 . 2]" 1
935 1 24 LEU HA 1 97 VAL MG2 4.650 . 4.650 4.770 4.714 4.821 0.171 1 0 "[ . 1 . 2]" 1
936 1 91 ILE HG12 1 97 VAL MG2 4.220 . 4.220 4.214 4.124 4.255 0.035 20 0 "[ . 1 . 2]" 1
937 1 47 ILE MD 1 68 ILE HG13 3.720 . 3.720 3.205 2.985 3.427 . 0 0 "[ . 1 . 2]" 1
938 1 69 VAL H 1 76 VAL QG 5.490 . 5.490 4.167 4.018 4.404 . 0 0 "[ . 1 . 2]" 1
939 1 76 VAL H 1 76 VAL QG 3.570 . 3.570 2.334 2.151 2.475 . 0 0 "[ . 1 . 2]" 1
940 1 70 SER HA 1 76 VAL QG 3.660 . 3.660 1.944 1.819 2.115 . 0 0 "[ . 1 . 2]" 1
941 1 76 VAL QG 1 77 LEU HA 5.140 . 5.140 3.592 3.437 3.790 . 0 0 "[ . 1 . 2]" 1
942 1 75 CYS HA 1 76 VAL QG 4.350 . 4.350 3.738 3.328 4.026 . 0 0 "[ . 1 . 2]" 1
943 1 76 VAL HA 1 76 VAL QG . . 3.300 2.250 2.167 2.389 . 0 0 "[ . 1 . 2]" 1
944 1 69 VAL HA 1 76 VAL QG 4.360 . 4.360 3.958 3.795 4.111 . 0 0 "[ . 1 . 2]" 1
945 1 70 SER HB2 1 76 VAL QG 4.850 . 4.850 4.319 4.108 4.509 . 0 0 "[ . 1 . 2]" 1
946 1 76 VAL QG 1 79 HIS HB2 4.430 . 4.430 2.430 1.982 3.211 . 0 0 "[ . 1 . 2]" 1
947 1 76 VAL QG 1 84 VAL HB 4.570 . 4.570 3.136 2.860 3.541 . 0 0 "[ . 1 . 2]" 1
948 1 70 SER H 1 76 VAL QG 4.840 . 4.840 3.349 3.140 3.592 . 0 0 "[ . 1 . 2]" 1
949 1 46 GLN HA 1 67 VAL MG2 5.500 . 5.500 4.078 3.775 4.240 . 0 0 "[ . 1 . 2]" 1
950 1 67 VAL MG2 1 77 LEU HA 5.350 . 5.350 4.260 4.134 4.368 . 0 0 "[ . 1 . 2]" 1
951 1 67 VAL MG2 1 69 VAL HA 4.160 . 4.160 3.441 3.325 3.520 . 0 0 "[ . 1 . 2]" 1
952 1 44 PHE QB 1 67 VAL MG2 . . 4.060 2.213 2.030 2.407 . 0 0 "[ . 1 . 2]" 1
953 1 46 GLN HG2 1 67 VAL MG2 5.340 . 5.340 3.514 3.268 3.743 . 0 0 "[ . 1 . 2]" 1
954 1 45 LEU H 1 67 VAL MG2 4.630 . 4.630 2.826 2.602 3.020 . 0 0 "[ . 1 . 2]" 1
955 1 67 VAL H 1 67 VAL MG2 3.840 . 3.840 3.540 3.433 3.693 . 0 0 "[ . 1 . 2]" 1
956 1 44 PHE HA 1 67 VAL MG2 4.470 . 4.470 3.745 3.527 3.915 . 0 0 "[ . 1 . 2]" 1
957 1 67 VAL MG2 1 77 LEU MD1 3.480 . 3.480 2.428 2.348 2.634 . 0 0 "[ . 1 . 2]" 1
958 1 74 THR HB 1 76 VAL QG 4.320 . 4.320 3.487 2.413 4.325 0.005 2 0 "[ . 1 . 2]" 1
959 1 47 ILE MD 1 65 GLY H 5.500 . 5.500 4.527 4.426 4.610 . 0 0 "[ . 1 . 2]" 1
960 1 36 VAL H 1 47 ILE MD 5.350 . 5.350 5.078 4.808 5.363 0.013 18 0 "[ . 1 . 2]" 1
961 1 47 ILE MD 1 48 LYS H 4.200 . 4.200 4.021 3.905 4.146 . 0 0 "[ . 1 . 2]" 1
962 1 47 ILE H 1 47 ILE MD 4.060 . 4.060 2.936 2.834 3.054 . 0 0 "[ . 1 . 2]" 1
963 1 47 ILE MD 1 68 ILE H 4.940 . 4.940 3.878 3.580 4.172 . 0 0 "[ . 1 . 2]" 1
964 1 47 ILE MD 1 49 SER H 5.500 . 5.500 4.641 4.547 4.775 . 0 0 "[ . 1 . 2]" 1
965 1 33 PHE QD 1 47 ILE MD 3.740 . 3.740 2.218 2.001 2.460 . 0 0 "[ . 1 . 2]" 1
966 1 33 PHE QE 1 47 ILE MD 4.120 . 4.120 3.027 2.735 3.340 . 0 0 "[ . 1 . 2]" 1
967 1 33 PHE HZ 1 47 ILE MD 5.080 . 5.080 4.414 4.181 4.632 . 0 0 "[ . 1 . 2]" 1
968 1 46 GLN HA 1 47 ILE MD 4.930 . 4.930 3.781 3.668 3.869 . 0 0 "[ . 1 . 2]" 1
969 1 35 VAL HA 1 47 ILE MD 4.530 . 4.530 3.926 3.662 4.213 . 0 0 "[ . 1 . 2]" 1
970 1 47 ILE HA 1 47 ILE MD 3.430 . 3.430 2.255 2.190 2.321 . 0 0 "[ . 1 . 2]" 1
971 1 47 ILE MD 1 64 THR HA 4.930 . 4.930 4.982 4.948 5.028 0.098 14 0 "[ . 1 . 2]" 1
972 1 33 PHE HB2 1 47 ILE MD 4.840 . 4.840 2.810 2.597 3.094 . 0 0 "[ . 1 . 2]" 1
973 1 33 PHE HB3 1 47 ILE MD 5.040 . 5.040 3.325 2.952 3.737 . 0 0 "[ . 1 . 2]" 1
974 1 47 ILE MD 1 66 ASP HB3 4.840 . 4.840 4.325 3.572 4.925 0.085 9 0 "[ . 1 . 2]" 1
975 1 47 ILE MD 1 68 ILE HG12 4.230 . 4.230 2.343 2.079 2.565 . 0 0 "[ . 1 . 2]" 1
976 1 26 LYS HG3 1 30 GLY H 4.820 . 4.820 3.860 3.744 3.969 . 0 0 "[ . 1 . 2]" 1
977 1 26 LYS HG3 1 31 PHE HZ 5.180 . 5.180 4.569 4.390 5.069 . 0 0 "[ . 1 . 2]" 1
978 1 26 LYS HG3 1 31 PHE QD 5.150 . 5.150 4.258 4.007 4.459 . 0 0 "[ . 1 . 2]" 1
979 1 26 LYS HG3 1 30 GLY HA3 4.440 . 4.440 2.159 2.051 2.277 . 0 0 "[ . 1 . 2]" 1
980 1 26 LYS HG3 1 93 ILE HA 3.470 . 3.470 3.258 3.114 3.339 . 0 0 "[ . 1 . 2]" 1
981 1 26 LYS HG3 1 91 ILE MG 5.010 . 5.010 4.222 4.151 4.364 . 0 0 "[ . 1 . 2]" 1
982 1 75 CYS H 1 76 VAL H 5.120 . 5.120 4.270 3.976 4.365 . 0 0 "[ . 1 . 2]" 1
983 1 69 VAL H 1 101 LEU QD 4.100 . 4.100 3.895 3.568 4.163 0.063 20 0 "[ . 1 . 2]" 1
984 1 122 VAL HB 1 123 ALA H 4.470 . 4.470 4.123 2.531 4.494 0.024 12 0 "[ . 1 . 2]" 1
985 1 123 ALA H 1 124 ILE QG 4.590 . 4.590 3.383 2.314 4.721 0.131 11 0 "[ . 1 . 2]" 1
986 1 71 VAL HB 1 72 ASN H 5.280 . 5.280 4.214 3.009 4.441 . 0 0 "[ . 1 . 2]" 1
987 1 72 ASN H 1 97 VAL HA 5.500 . 5.500 4.822 4.493 4.977 . 0 0 "[ . 1 . 2]" 1
988 1 26 LYS H 1 95 ALA H 4.820 . 4.820 3.842 3.722 3.928 . 0 0 "[ . 1 . 2]" 1
989 1 25 ARG HA 1 26 LYS H 3.410 . 3.410 2.138 2.050 2.277 . 0 0 "[ . 1 . 2]" 1
990 1 25 ARG HB3 1 26 LYS H 4.740 . 4.740 4.408 4.322 4.464 . 0 0 "[ . 1 . 2]" 1
991 1 110 ASP H 1 111 PRO HD2 4.940 . 4.940 4.732 4.521 4.942 0.002 15 0 "[ . 1 . 2]" 1
992 1 110 ASP H 1 116 THR MG 5.310 . 5.310 4.759 4.112 5.357 0.047 10 0 "[ . 1 . 2]" 1
993 1 124 ILE HB 1 125 LEU H 4.430 . 4.430 4.375 4.245 4.442 0.012 8 0 "[ . 1 . 2]" 1
994 1 125 LEU H 1 125 LEU HB2 3.230 . 3.230 2.490 2.350 2.591 . 0 0 "[ . 1 . 2]" 1
995 1 23 LYS H 1 98 ASP HA 5.310 . 5.310 3.858 3.603 4.313 . 0 0 "[ . 1 . 2]" 1
996 1 46 GLN HG2 1 68 ILE H 5.450 . 5.450 4.109 3.959 4.353 . 0 0 "[ . 1 . 2]" 1
997 1 68 ILE H 1 68 ILE HB 3.950 . 3.950 2.439 2.342 2.595 . 0 0 "[ . 1 . 2]" 1
998 1 68 ILE H 1 68 ILE HG13 4.730 . 4.730 3.964 3.809 4.085 . 0 0 "[ . 1 . 2]" 1
999 1 67 VAL H 1 68 ILE H 5.350 . 5.350 4.423 4.338 4.539 . 0 0 "[ . 1 . 2]" 1
1000 1 97 VAL HA 1 98 ASP H 3.170 . 3.170 2.214 2.087 2.296 . 0 0 "[ . 1 . 2]" 1
1001 1 71 VAL QG 1 98 ASP H 5.000 . 5.000 4.662 4.459 5.049 0.049 9 0 "[ . 1 . 2]" 1
1002 1 98 ASP H 1 99 LEU HG 4.880 . 4.880 4.604 4.425 4.705 . 0 0 "[ . 1 . 2]" 1
1003 1 98 ASP H 1 99 LEU H 4.180 . 4.180 4.204 4.177 4.222 0.042 18 0 "[ . 1 . 2]" 1
1004 1 72 ASN HD22 1 98 ASP H 5.010 . 5.010 3.856 3.387 4.875 . 0 0 "[ . 1 . 2]" 1
1005 1 89 GLN H 1 91 ILE H 4.700 . 4.700 4.024 3.842 4.240 . 0 0 "[ . 1 . 2]" 1
1006 1 91 ILE H 1 92 PRO HD3 4.950 . 4.950 4.462 4.421 4.487 . 0 0 "[ . 1 . 2]" 1
1007 1 27 SER H 1 55 PRO HG3 5.210 . 5.210 3.242 2.870 3.981 . 0 0 "[ . 1 . 2]" 1
1008 1 52 LEU HA 1 57 ALA H 5.500 . 5.500 4.108 3.516 4.612 . 0 0 "[ . 1 . 2]" 1
1009 1 57 ALA H 1 58 LEU MD1 5.100 . 5.100 3.620 3.461 3.761 . 0 0 "[ . 1 . 2]" 1
1010 1 18 LYS QE 1 19 PHE H 3.390 . 3.390 3.244 2.571 3.536 0.146 19 0 "[ . 1 . 2]" 1
1011 1 18 LYS QB 1 19 PHE H 3.650 . 3.650 3.525 3.305 3.755 0.105 1 0 "[ . 1 . 2]" 1
1012 1 19 PHE H 1 20 ILE HG12 4.680 . 4.680 4.733 4.682 4.952 0.272 19 0 "[ . 1 . 2]" 1
1013 1 21 HIS H 1 21 HIS HB2 3.430 . 3.430 2.477 1.965 2.708 . 0 0 "[ . 1 . 2]" 1
1014 1 20 ILE HB 1 21 HIS H 4.800 . 4.800 3.900 3.492 4.130 . 0 0 "[ . 1 . 2]" 1
1015 1 72 ASN H 1 99 LEU H 5.280 . 5.280 4.807 4.597 4.976 . 0 0 "[ . 1 . 2]" 1
1016 1 18 LYS QE 1 20 ILE H 3.870 . 3.870 3.902 2.844 4.105 0.235 19 0 "[ . 1 . 2]" 1
1017 1 20 ILE H 1 20 ILE MD 4.390 . 4.390 3.426 1.893 4.026 . 0 0 "[ . 1 . 2]" 1
1018 1 126 ASP HB3 1 128 GLU H 4.820 . 4.820 3.950 2.446 4.909 0.089 19 0 "[ . 1 . 2]" 1
1019 1 93 ILE HA 1 95 ALA H 3.920 . 3.920 3.206 3.147 3.255 . 0 0 "[ . 1 . 2]" 1
1020 1 66 ASP HA 1 105 TYR H 4.440 . 4.440 4.475 4.281 4.569 0.129 2 0 "[ . 1 . 2]" 1
1021 1 105 TYR H 1 106 PRO QD 4.900 . 4.900 4.291 4.192 4.402 . 0 0 "[ . 1 . 2]" 1
1022 1 23 LYS HB3 1 99 LEU H 5.250 . 5.250 5.227 5.113 5.301 0.051 14 0 "[ . 1 . 2]" 1
1023 1 99 LEU H 1 99 LEU QB 3.700 . 3.700 2.433 2.384 2.557 . 0 0 "[ . 1 . 2]" 1
1024 1 99 LEU H 1 101 LEU QD 5.500 . 5.500 4.959 3.778 5.517 0.017 10 0 "[ . 1 . 2]" 1
1025 1 24 LEU H 1 25 ARG H 4.890 . 4.890 4.219 4.151 4.299 . 0 0 "[ . 1 . 2]" 1
1026 1 25 ARG H 1 55 PRO HA 5.500 . 5.500 5.308 4.766 5.540 0.040 14 0 "[ . 1 . 2]" 1
1027 1 25 ARG H 1 25 ARG QD 4.580 . 4.580 4.497 4.262 4.647 0.067 3 0 "[ . 1 . 2]" 1
1028 1 25 ARG H 1 25 ARG HB2 3.160 . 3.160 2.650 2.478 2.775 . 0 0 "[ . 1 . 2]" 1
1029 1 24 LEU HB3 1 25 ARG H 4.270 . 4.270 4.030 3.938 4.080 . 0 0 "[ . 1 . 2]" 1
1030 1 25 ARG H 1 96 SER HA 4.960 . 4.960 4.240 4.044 4.351 . 0 0 "[ . 1 . 2]" 1
1031 1 77 LEU H 1 79 HIS H 5.280 . 5.280 4.100 4.012 4.174 . 0 0 "[ . 1 . 2]" 1
1032 1 69 VAL QG 1 77 LEU H 5.420 . 5.420 3.606 3.468 3.714 . 0 0 "[ . 1 . 2]" 1
1033 1 36 VAL H 1 45 LEU HA 4.680 . 4.680 4.308 4.017 4.635 . 0 0 "[ . 1 . 2]" 1
1034 1 36 VAL H 1 48 LYS HB3 5.250 . 5.250 4.520 4.334 4.836 . 0 0 "[ . 1 . 2]" 1
1035 1 24 LEU H 1 96 SER HA 4.630 . 4.630 4.457 4.216 4.632 0.002 20 0 "[ . 1 . 2]" 1
1036 1 24 LEU H 1 97 VAL MG1 4.230 . 4.230 4.367 4.340 4.399 0.169 3 0 "[ . 1 . 2]" 1
1037 1 50 LEU H 1 51 VAL H 4.480 . 4.480 4.236 4.165 4.297 . 0 0 "[ . 1 . 2]" 1
1038 1 50 LEU MD2 1 51 VAL H 4.800 . 4.800 4.748 4.589 4.835 0.035 14 0 "[ . 1 . 2]" 1
1039 1 36 VAL H 1 48 LYS H 4.140 . 4.140 3.175 3.042 3.321 . 0 0 "[ . 1 . 2]" 1
1040 1 46 GLN HE22 1 107 LEU H 5.150 . 5.150 4.454 4.206 4.887 . 0 0 "[ . 1 . 2]" 1
1041 1 106 PRO HB2 1 107 LEU H 3.800 . 3.800 3.059 2.298 3.844 0.044 4 0 "[ . 1 . 2]" 1
1042 1 106 PRO HB3 1 107 LEU H 3.620 . 3.620 3.554 3.114 3.658 0.038 3 0 "[ . 1 . 2]" 1
1043 1 77 LEU HB3 1 79 HIS H 4.810 . 4.810 4.773 4.624 4.826 0.016 13 0 "[ . 1 . 2]" 1
1044 1 79 HIS H 1 84 VAL MG1 4.610 . 4.610 3.087 2.896 3.242 . 0 0 "[ . 1 . 2]" 1
1045 1 50 LEU HG 1 51 VAL H 4.970 . 4.970 4.765 4.528 4.913 . 0 0 "[ . 1 . 2]" 1
1046 1 5 LYS H 1 6 PRO HD3 5.060 . 5.060 2.360 2.136 2.695 . 0 0 "[ . 1 . 2]" 1
1047 1 99 LEU QD 1 100 GLU H . . 3.980 3.559 3.408 3.661 . 0 0 "[ . 1 . 2]" 1
1048 1 35 VAL H 1 35 VAL HB 3.730 . 3.730 3.389 2.788 3.762 0.032 14 0 "[ . 1 . 2]" 1
1049 1 35 VAL H 1 36 VAL H 5.200 . 5.200 4.344 4.185 4.462 . 0 0 "[ . 1 . 2]" 1
1050 1 7 PHE QD 1 16 LYS H 4.260 . 4.260 4.083 3.615 4.294 0.034 16 0 "[ . 1 . 2]" 1
1051 1 81 HIS HA 1 85 VAL H 4.060 . 4.060 3.881 3.766 3.997 . 0 0 "[ . 1 . 2]" 1
1052 1 6 PRO HB3 1 7 PHE H 3.800 . 3.800 3.348 2.951 3.678 . 0 0 "[ . 1 . 2]" 1
1053 1 125 LEU HB2 1 126 ASP H 3.980 . 3.980 3.985 3.600 4.102 0.122 12 0 "[ . 1 . 2]" 1
1054 1 121 SER QB 1 122 VAL H 4.090 . 4.090 3.569 2.235 4.046 . 0 0 "[ . 1 . 2]" 1
1055 1 38 GLY H 1 81 HIS H 5.120 . 5.120 5.185 4.982 5.239 0.119 3 0 "[ . 1 . 2]" 1
1056 1 78 GLY HA2 1 81 HIS H 4.570 . 4.570 4.135 3.948 4.349 . 0 0 "[ . 1 . 2]" 1
1057 1 62 MET QG 1 63 GLU H 3.800 . 3.800 2.882 2.390 3.828 0.028 4 0 "[ . 1 . 2]" 1
1058 1 63 GLU H 1 63 GLU HB2 3.860 . 3.860 3.114 2.481 3.365 . 0 0 "[ . 1 . 2]" 1
1059 1 108 PRO HG3 1 109 PHE H 4.150 . 4.150 4.045 3.535 4.317 0.167 17 0 "[ . 1 . 2]" 1
1060 1 108 PRO HB3 1 109 PHE H 3.890 . 3.890 3.357 2.347 3.968 0.078 20 0 "[ . 1 . 2]" 1
1061 1 124 ILE MG 1 126 ASP H 5.030 . 5.030 3.230 1.927 5.045 0.015 11 0 "[ . 1 . 2]" 1
1062 1 119 VAL H 1 119 VAL QG 3.620 . 3.620 2.644 1.803 3.287 . 0 0 "[ . 1 . 2]" 1
1063 1 76 VAL H 1 77 LEU HB3 4.700 . 4.700 4.554 4.369 4.717 0.017 5 0 "[ . 1 . 2]" 1
1064 1 39 ASP H 1 43 GLU H 5.500 . 5.500 4.274 3.929 4.651 . 0 0 "[ . 1 . 2]" 1
1065 1 118 LEU QB 1 119 VAL H 3.990 . 3.990 2.930 1.750 3.929 0.050 14 0 "[ . 1 . 2]" 1
1066 1 112 ASP H 1 113 ASP H 3.010 . 3.010 2.292 2.022 2.657 . 0 0 "[ . 1 . 2]" 1
1067 1 110 ASP HA 1 113 ASP H 3.580 . 3.580 3.431 3.007 3.719 0.139 3 0 "[ . 1 . 2]" 1
1068 1 112 ASP HA 1 113 ASP H 3.430 . 3.430 3.139 2.684 3.499 0.069 3 0 "[ . 1 . 2]" 1
1069 1 111 PRO HD2 1 113 ASP H 3.980 . 3.980 2.686 2.085 3.611 . 0 0 "[ . 1 . 2]" 1
1070 1 113 ASP H 1 113 ASP HB3 3.120 . 3.120 2.998 2.696 3.402 0.282 15 0 "[ . 1 . 2]" 1
1071 1 111 PRO HB3 1 113 ASP H 5.200 . 5.200 5.257 5.101 5.433 0.233 3 0 "[ . 1 . 2]" 1
1072 1 113 ASP H 1 116 THR MG 5.500 . 5.500 4.900 4.037 5.522 0.022 17 0 "[ . 1 . 2]" 1
1073 1 35 VAL HA 1 46 GLN H 4.440 . 4.440 4.228 3.922 4.461 0.021 12 0 "[ . 1 . 2]" 1
1074 1 36 VAL HA 1 46 GLN H 4.640 . 4.640 4.577 4.434 4.679 0.039 12 0 "[ . 1 . 2]" 1
1075 1 37 GLY HA2 1 46 GLN H 5.160 . 5.160 4.931 4.645 5.168 0.008 17 0 "[ . 1 . 2]" 1
1076 1 45 LEU HG 1 46 GLN H 4.160 . 4.160 3.574 3.474 3.673 . 0 0 "[ . 1 . 2]" 1
1077 1 70 SER HB3 1 76 VAL H 4.690 . 4.690 3.701 3.548 3.872 . 0 0 "[ . 1 . 2]" 1
1078 1 39 ASP H 1 39 ASP QB 3.110 . 3.110 2.217 1.995 2.422 . 0 0 "[ . 1 . 2]" 1
1079 1 39 ASP H 1 45 LEU MD1 5.500 . 5.500 4.527 4.389 4.733 . 0 0 "[ . 1 . 2]" 1
1080 1 49 SER HB3 1 50 LEU H 3.780 . 3.780 3.366 3.259 3.492 . 0 0 "[ . 1 . 2]" 1
1081 1 50 LEU H 1 50 LEU HB2 3.790 . 3.790 3.758 3.705 3.807 0.017 19 0 "[ . 1 . 2]" 1
1082 1 10 ARG HG3 1 11 ASN H 4.430 . 4.430 4.351 4.025 4.482 0.052 12 0 "[ . 1 . 2]" 1
1083 1 70 SER HB3 1 71 VAL H 3.800 . 3.800 2.581 2.237 2.950 . 0 0 "[ . 1 . 2]" 1
1084 1 123 ALA H 1 124 ILE H 3.880 . 3.880 3.021 2.098 3.872 . 0 0 "[ . 1 . 2]" 1
1085 1 36 VAL H 1 46 GLN H 4.310 . 4.310 2.775 2.554 2.969 . 0 0 "[ . 1 . 2]" 1
1086 1 50 LEU H 1 64 THR MG 4.450 . 4.450 2.450 2.097 2.897 . 0 0 "[ . 1 . 2]" 1
1087 1 126 ASP HA 1 127 LYS H 3.180 . 3.180 2.427 2.105 3.316 0.136 12 0 "[ . 1 . 2]" 1
1088 1 96 SER H 1 97 VAL H 4.430 . 4.430 4.365 4.288 4.500 0.070 10 0 "[ . 1 . 2]" 1
1089 1 25 ARG HA 1 97 VAL H 3.620 . 3.620 3.492 3.303 3.660 0.040 15 0 "[ . 1 . 2]" 1
1090 1 79 HIS HB3 1 84 VAL H 5.140 . 5.140 3.350 3.172 3.448 . 0 0 "[ . 1 . 2]" 1
1091 1 81 HIS H 1 84 VAL H 5.500 . 5.500 4.804 4.730 4.961 . 0 0 "[ . 1 . 2]" 1
1092 1 23 LYS HA 1 97 VAL H 5.080 . 5.080 3.371 3.295 3.459 . 0 0 "[ . 1 . 2]" 1
1093 1 83 GLN H 1 84 VAL H 3.680 . 3.680 2.659 2.608 2.698 . 0 0 "[ . 1 . 2]" 1
1094 1 83 GLN HB3 1 84 VAL H 3.320 . 3.320 3.363 3.174 3.415 0.095 5 0 "[ . 1 . 2]" 1
1095 1 86 LYS HB3 1 87 ILE H 3.350 . 3.350 3.104 2.910 3.354 0.004 18 0 "[ . 1 . 2]" 1
1096 1 87 ILE H 1 87 ILE MD 3.860 . 3.860 3.799 3.601 3.898 0.038 15 0 "[ . 1 . 2]" 1
1097 1 14 GLU H 1 15 LEU QD 5.500 . 5.500 4.774 3.357 5.534 0.034 2 0 "[ . 1 . 2]" 1
1098 1 9 THR H 1 10 ARG H 4.700 . 4.700 1.927 1.787 2.088 0.013 12 0 "[ . 1 . 2]" 1
1099 1 9 THR HB 1 10 ARG H 4.610 . 4.610 4.423 4.352 4.541 . 0 0 "[ . 1 . 2]" 1
1100 1 87 ILE H 1 88 PHE QD 5.360 . 5.360 5.049 4.871 5.166 . 0 0 "[ . 1 . 2]" 1
1101 1 15 LEU H 1 16 LYS H 4.690 . 4.690 4.570 4.445 4.668 . 0 0 "[ . 1 . 2]" 1
1102 1 14 GLU HB3 1 15 LEU H 4.060 . 4.060 3.910 3.547 4.088 0.028 9 0 "[ . 1 . 2]" 1
1103 1 15 LEU H 1 15 LEU HB2 3.620 . 3.620 2.670 2.244 2.882 . 0 0 "[ . 1 . 2]" 1
1104 1 15 LEU H 1 15 LEU HB3 3.480 . 3.480 2.851 2.411 3.566 0.086 7 0 "[ . 1 . 2]" 1
1105 1 9 THR MG 1 15 LEU H 4.010 . 4.010 3.187 2.657 3.728 . 0 0 "[ . 1 . 2]" 1
1106 1 15 LEU H 1 15 LEU QD 4.260 . 4.260 3.418 2.499 3.812 . 0 0 "[ . 1 . 2]" 1
1107 1 61 LYS HB2 1 62 MET H 3.480 . 3.480 3.113 2.416 3.560 0.080 19 0 "[ . 1 . 2]" 1
1108 1 62 MET H 1 101 LEU QD 4.920 . 4.920 4.175 3.813 4.612 . 0 0 "[ . 1 . 2]" 1
1109 1 83 GLN HB2 1 86 LYS H 5.500 . 5.500 5.576 5.524 5.668 0.168 7 0 "[ . 1 . 2]" 1
1110 1 87 ILE HA 1 89 GLN H 4.740 . 4.740 4.228 4.061 4.373 . 0 0 "[ . 1 . 2]" 1
1111 1 47 ILE H 1 66 ASP H 4.990 . 4.990 3.567 3.206 3.762 . 0 0 "[ . 1 . 2]" 1
1112 1 86 LYS H 1 88 PHE H 4.930 . 4.930 4.190 4.136 4.235 . 0 0 "[ . 1 . 2]" 1
1113 1 47 ILE H 1 47 ILE MG 4.750 . 4.750 3.818 3.795 3.849 . 0 0 "[ . 1 . 2]" 1
1114 1 80 THR HA 1 82 ALA H 4.590 . 4.590 4.022 3.924 4.115 . 0 0 "[ . 1 . 2]" 1
1115 1 81 HIS HB3 1 82 ALA H 3.840 . 3.840 2.909 2.714 3.076 . 0 0 "[ . 1 . 2]" 1
1116 1 66 ASP HA 1 102 CYS H 4.870 . 4.870 4.083 3.637 4.512 . 0 0 "[ . 1 . 2]" 1
1117 1 68 ILE HA 1 102 CYS H 4.900 . 4.900 4.015 3.794 4.194 . 0 0 "[ . 1 . 2]" 1
1118 1 101 LEU H 1 102 CYS H 5.210 . 5.210 4.393 4.260 4.449 . 0 0 "[ . 1 . 2]" 1
1119 1 114 PRO QD 1 121 SER H 4.760 . 4.760 4.698 4.118 4.885 0.125 16 0 "[ . 1 . 2]" 1
1120 1 58 LEU H 1 59 ASP HA 5.170 . 5.170 5.191 5.154 5.226 0.056 14 0 "[ . 1 . 2]" 1
1121 1 58 LEU H 1 58 LEU HB3 3.330 . 3.330 3.366 3.335 3.402 0.072 7 0 "[ . 1 . 2]" 1
1122 1 87 ILE H 1 88 PHE H 3.500 . 3.500 2.598 2.535 2.659 . 0 0 "[ . 1 . 2]" 1
1123 1 88 PHE H 1 88 PHE QE 4.630 . 4.630 4.676 4.650 4.700 0.070 9 0 "[ . 1 . 2]" 1
1124 1 88 PHE H 1 91 ILE HB 5.320 . 5.320 5.068 4.887 5.189 . 0 0 "[ . 1 . 2]" 1
1125 1 119 VAL HB 1 120 THR H 5.050 . 5.050 4.400 3.779 4.697 . 0 0 "[ . 1 . 2]" 1
1126 1 111 PRO HA 1 112 ASP H 3.460 . 3.460 3.453 3.392 3.485 0.025 1 0 "[ . 1 . 2]" 1
1127 1 111 PRO HB3 1 112 ASP H 3.720 . 3.720 3.611 3.497 3.750 0.030 3 0 "[ . 1 . 2]" 1
1128 1 73 ASP H 1 74 THR H 4.100 . 4.100 2.453 1.739 2.806 0.061 5 0 "[ . 1 . 2]" 1
1129 1 73 ASP HA 1 74 THR H 3.610 . 3.610 2.972 2.513 3.251 . 0 0 "[ . 1 . 2]" 1
1130 1 59 ASP H 1 60 GLY QA 4.450 . 4.450 4.157 4.083 4.230 . 0 0 "[ . 1 . 2]" 1
1131 1 71 VAL HA 1 74 THR H 4.590 . 4.590 4.547 4.325 4.667 0.077 13 0 "[ . 1 . 2]" 1
1132 1 73 ASP HB2 1 74 THR H 4.290 . 4.290 4.261 3.756 4.396 0.106 2 0 "[ . 1 . 2]" 1
1133 1 22 THR H 1 101 LEU H 4.940 . 4.940 4.156 3.822 4.646 . 0 0 "[ . 1 . 2]" 1
1134 1 115 ASN H 1 115 ASN HB2 3.180 . 3.180 2.515 2.096 3.190 0.010 7 0 "[ . 1 . 2]" 1
1135 1 114 PRO HG3 1 115 ASN H 4.070 . 4.070 3.245 3.175 3.374 . 0 0 "[ . 1 . 2]" 1
1136 1 39 ASP H 1 40 GLU H 3.020 . 3.020 2.529 2.228 2.918 . 0 0 "[ . 1 . 2]" 1
1137 1 40 GLU H 1 42 ASP H 5.320 . 5.320 3.609 3.536 3.698 . 0 0 "[ . 1 . 2]" 1
1138 1 38 GLY QA 1 40 GLU H 4.080 . 4.080 2.961 2.620 3.187 . 0 0 "[ . 1 . 2]" 1
1139 1 40 GLU H 1 41 PRO QD 4.320 . 4.320 4.330 4.274 4.368 0.048 5 0 "[ . 1 . 2]" 1
1140 1 39 ASP QB 1 40 GLU H 3.440 . 3.440 2.950 2.547 3.397 . 0 0 "[ . 1 . 2]" 1
1141 1 40 GLU H 1 43 GLU HG3 3.710 . 3.710 3.640 3.219 3.782 0.072 1 0 "[ . 1 . 2]" 1
1142 1 40 GLU H 1 43 GLU HB3 4.400 . 4.400 3.728 3.644 3.858 . 0 0 "[ . 1 . 2]" 1
1143 1 22 THR H 1 99 LEU H 4.070 . 4.070 3.218 3.084 3.382 . 0 0 "[ . 1 . 2]" 1
1144 1 21 HIS HB3 1 22 THR H 4.010 . 4.010 3.946 3.226 4.096 0.086 18 0 "[ . 1 . 2]" 1
1145 1 22 THR H 1 99 LEU QB 4.110 . 4.110 3.476 3.288 3.760 . 0 0 "[ . 1 . 2]" 1
1146 1 117 SER H 1 120 THR HB 3.350 . 3.350 3.333 3.046 3.522 0.172 12 0 "[ . 1 . 2]" 1
1147 1 117 SER H 1 120 THR MG 5.280 . 5.280 3.300 1.907 4.385 . 0 0 "[ . 1 . 2]" 1
1148 1 77 LEU H 1 78 GLY H 4.890 . 4.890 4.365 4.346 4.386 . 0 0 "[ . 1 . 2]" 1
1149 1 30 GLY HA2 1 94 GLY H 3.660 . 3.660 3.758 3.722 3.815 0.155 4 0 "[ . 1 . 2]" 1
1150 1 26 LYS HB2 1 94 GLY H 4.660 . 4.660 4.765 4.744 4.799 0.139 19 0 "[ . 1 . 2]" 1
1151 1 93 ILE HB 1 94 GLY H 4.200 . 4.200 4.107 4.042 4.137 . 0 0 "[ . 1 . 2]" 1
1152 1 93 ILE HG13 1 94 GLY H 4.720 . 4.720 4.926 4.893 4.948 0.228 8 0 "[ . 1 . 2]" 1
1153 1 25 ARG QG 1 94 GLY H 4.670 . 4.670 4.727 4.655 4.775 0.105 19 0 "[ . 1 . 2]" 1
1154 1 41 PRO QD 1 42 ASP H 4.670 . 4.670 4.069 3.906 4.151 . 0 0 "[ . 1 . 2]" 1
1155 1 41 PRO HB3 1 42 ASP H 4.520 . 4.520 4.498 4.464 4.537 0.017 17 0 "[ . 1 . 2]" 1
1156 1 81 HIS H 1 83 GLN H 4.930 . 4.930 4.466 4.369 4.539 . 0 0 "[ . 1 . 2]" 1
1157 1 80 THR HB 1 83 GLN H 3.820 . 3.820 3.042 2.937 3.188 . 0 0 "[ . 1 . 2]" 1
1158 1 66 ASP HA 1 104 GLY H 3.750 . 3.750 3.791 3.668 3.910 0.160 4 0 "[ . 1 . 2]" 1
1159 1 103 ARG QB 1 104 GLY H 4.080 . 4.080 3.421 2.791 3.862 . 0 0 "[ . 1 . 2]" 1
1160 1 32 GLY H 1 33 PHE H 4.930 . 4.930 2.466 2.006 2.642 . 0 0 "[ . 1 . 2]" 1
1161 1 33 PHE H 1 34 THR H 4.520 . 4.520 4.399 4.348 4.435 . 0 0 "[ . 1 . 2]" 1
1162 1 33 PHE H 1 33 PHE QD 4.700 . 4.700 2.103 1.986 2.265 . 0 0 "[ . 1 . 2]" 1
1163 1 31 PHE HB3 1 33 PHE H 5.090 . 5.090 2.778 2.468 2.844 . 0 0 "[ . 1 . 2]" 1
1164 1 24 LEU HG 1 33 PHE H 4.780 . 4.780 4.051 3.900 4.178 . 0 0 "[ . 1 . 2]" 1
1165 1 43 GLU H 1 44 PHE H 4.600 . 4.600 4.212 4.155 4.284 . 0 0 "[ . 1 . 2]" 1
1166 1 43 GLU H 1 78 GLY HA3 5.010 . 5.010 3.686 3.564 3.787 . 0 0 "[ . 1 . 2]" 1
1167 1 40 GLU H 1 43 GLU H 5.040 . 5.040 2.592 2.507 2.660 . 0 0 "[ . 1 . 2]" 1
1168 1 43 GLU H 1 43 GLU HB2 3.880 . 3.880 2.658 2.562 2.731 . 0 0 "[ . 1 . 2]" 1
1169 1 66 ASP HA 1 103 ARG HE 5.360 . 5.360 4.894 3.529 5.622 0.262 12 0 "[ . 1 . 2]" 1
1170 1 103 ARG QB 1 103 ARG HE 3.960 . 3.960 2.036 1.926 2.233 . 0 0 "[ . 1 . 2]" 1
1171 1 63 GLU QG 1 64 THR H 3.760 . 3.760 2.324 1.898 3.722 . 0 0 "[ . 1 . 2]" 1
1172 1 63 GLU HB2 1 64 THR H 3.820 . 3.820 3.837 3.575 3.899 0.079 14 0 "[ . 1 . 2]" 1
1173 1 50 LEU MD1 1 64 THR H 4.310 . 4.310 4.021 3.490 4.354 0.044 14 0 "[ . 1 . 2]" 1
1174 1 114 PRO QD 1 115 ASN HD21 5.340 . 5.340 3.375 2.213 4.646 . 0 0 "[ . 1 . 2]" 1
1175 1 115 ASN HB2 1 115 ASN HD21 3.330 . 3.330 2.364 2.014 3.345 0.015 7 0 "[ . 1 . 2]" 1
1176 1 114 PRO QD 1 115 ASN HD22 5.500 . 5.500 3.962 2.276 5.691 0.191 2 0 "[ . 1 . 2]" 1
1177 1 115 ASN HB2 1 115 ASN HD22 3.910 . 3.910 3.515 3.328 3.980 0.070 7 0 "[ . 1 . 2]" 1
1178 1 47 ILE H 1 65 GLY H 4.340 . 4.340 3.221 2.976 3.464 . 0 0 "[ . 1 . 2]" 1
1179 1 47 ILE HG12 1 65 GLY H 5.070 . 5.070 3.477 3.297 3.664 . 0 0 "[ . 1 . 2]" 1
1180 1 64 THR H 1 107 LEU MD2 5.500 . 5.500 5.154 4.684 5.557 0.057 16 0 "[ . 1 . 2]" 1
1181 1 115 ASN HD21 1 116 THR MG 5.500 . 5.500 4.085 2.056 5.604 0.104 14 0 "[ . 1 . 2]" 1
1182 1 34 THR H 1 50 LEU HA 4.680 . 4.680 3.375 3.163 3.616 . 0 0 "[ . 1 . 2]" 1
1183 1 34 THR H 1 48 LYS HB3 5.180 . 5.180 3.931 3.579 4.241 . 0 0 "[ . 1 . 2]" 1
1184 1 34 THR H 1 47 ILE MG 4.780 . 4.780 2.811 2.649 3.040 . 0 0 "[ . 1 . 2]" 1
1185 1 116 THR H 1 120 THR HB 3.600 . 3.600 3.680 3.408 3.800 0.200 8 0 "[ . 1 . 2]" 1
1186 1 115 ASN HB2 1 116 THR H 4.540 . 4.540 3.604 2.949 4.453 . 0 0 "[ . 1 . 2]" 1
1187 1 90 SER H 1 91 ILE MG 5.500 . 5.500 5.515 5.391 5.555 0.055 10 0 "[ . 1 . 2]" 1
1188 1 11 ASN HD22 1 13 SER QB 4.640 . 4.640 2.774 2.191 4.726 0.086 9 0 "[ . 1 . 2]" 1
1189 1 95 ALA H 1 96 SER H 4.920 . 4.920 4.460 4.416 4.535 . 0 0 "[ . 1 . 2]" 1
1190 1 72 ASN H 1 72 ASN HD21 5.500 . 5.500 3.418 2.307 4.817 . 0 0 "[ . 1 . 2]" 1
1191 1 72 ASN HD21 1 97 VAL HA 5.050 . 5.050 3.749 3.180 5.016 . 0 0 "[ . 1 . 2]" 1
1192 1 72 ASN HD21 1 97 VAL MG1 5.000 . 5.000 2.926 2.189 3.553 . 0 0 "[ . 1 . 2]" 1
1193 1 71 VAL QG 1 72 ASN HD21 5.090 . 5.090 3.674 2.670 4.338 . 0 0 "[ . 1 . 2]" 1
1194 1 85 VAL QG 1 89 GLN HE21 4.950 . 4.950 3.701 2.234 4.580 . 0 0 "[ . 1 . 2]" 1
1195 1 71 VAL QG 1 72 ASN HD22 5.500 . 5.500 3.611 3.218 4.011 . 0 0 "[ . 1 . 2]" 1
1196 1 89 GLN HA 1 89 GLN HE22 5.500 . 5.500 4.668 3.747 5.633 0.133 3 0 "[ . 1 . 2]" 1
1197 1 85 VAL QG 1 89 GLN HE22 5.110 . 5.110 4.272 3.112 5.102 . 0 0 "[ . 1 . 2]" 1
1198 1 89 GLN HA 1 89 GLN HE21 5.230 . 5.230 4.093 3.614 4.543 . 0 0 "[ . 1 . 2]" 1
1199 1 46 GLN HE22 1 107 LEU MD2 5.500 . 5.500 4.703 4.175 5.510 0.010 13 0 "[ . 1 . 2]" 1
1200 1 37 GLY H 1 45 LEU MD1 5.420 . 5.420 4.990 4.692 5.165 . 0 0 "[ . 1 . 2]" 1
1201 1 3 MET HB2 1 4 GLY H 5.500 . 5.500 4.013 2.294 4.634 . 0 0 "[ . 1 . 2]" 1
1202 1 37 GLY H 1 46 GLN H 5.460 . 5.460 4.795 4.684 4.896 . 0 0 "[ . 1 . 2]" 1
1203 1 36 VAL HA 1 37 GLY H 3.340 . 3.340 2.242 2.106 2.354 . 0 0 "[ . 1 . 2]" 1
1204 1 36 VAL H 1 37 GLY H 4.680 . 4.680 4.183 4.113 4.241 . 0 0 "[ . 1 . 2]" 1
1205 1 37 GLY H 1 39 ASP H 5.230 . 5.230 4.704 3.961 5.290 0.060 15 0 "[ . 1 . 2]" 1
1206 1 36 VAL HB 1 37 GLY H 3.680 . 3.680 3.782 3.740 3.829 0.149 17 0 "[ . 1 . 2]" 1
1207 1 4 GLY H 1 5 LYS H 5.400 . 5.400 3.821 2.475 4.540 . 0 0 "[ . 1 . 2]" 1
1208 1 13 SER H 1 15 LEU H 4.230 . 4.230 3.879 3.590 4.090 . 0 0 "[ . 1 . 2]" 1
1209 1 13 SER H 1 13 SER QB 3.150 . 3.150 2.317 2.213 2.565 . 0 0 "[ . 1 . 2]" 1
1210 1 11 ASN HB2 1 13 SER H 4.910 . 4.910 4.570 4.044 4.728 . 0 0 "[ . 1 . 2]" 1
1211 1 13 SER H 1 14 GLU HG2 4.360 . 4.360 4.045 3.862 4.292 . 0 0 "[ . 1 . 2]" 1
1212 1 12 PRO HB2 1 13 SER H 3.680 . 3.680 3.091 2.685 3.533 . 0 0 "[ . 1 . 2]" 1
1213 1 13 SER H 1 69 VAL QG 5.310 . 5.310 4.925 4.664 5.168 . 0 0 "[ . 1 . 2]" 1
1214 1 13 SER H 1 77 LEU MD2 5.500 . 5.500 5.167 4.962 5.318 . 0 0 "[ . 1 . 2]" 1
1215 1 68 ILE HA 1 70 SER H 3.920 . 3.920 3.668 3.505 3.920 0.000 18 0 "[ . 1 . 2]" 1
1216 1 70 SER H 1 100 GLU QG 4.550 . 4.550 3.922 3.594 4.589 0.039 18 0 "[ . 1 . 2]" 1
1217 1 83 GLN HA 1 83 GLN HE21 5.300 . 5.300 3.799 2.135 4.568 . 0 0 "[ . 1 . 2]" 1
1218 1 49 SER H 1 49 SER HB3 4.100 . 4.100 3.414 3.306 3.478 . 0 0 "[ . 1 . 2]" 1
1219 1 48 LYS HB2 1 49 SER H 4.430 . 4.430 3.780 3.584 3.941 . 0 0 "[ . 1 . 2]" 1
1220 1 48 LYS HB3 1 49 SER H 4.770 . 4.770 2.531 2.277 2.686 . 0 0 "[ . 1 . 2]" 1
1221 1 36 VAL H 1 49 SER H 5.500 . 5.500 5.613 5.563 5.644 0.144 13 0 "[ . 1 . 2]" 1
1222 1 33 PHE HB3 1 49 SER H 5.190 . 5.190 5.332 5.297 5.391 0.201 10 0 "[ . 1 . 2]" 1
1223 1 80 THR H 1 81 HIS H 5.060 . 5.060 3.906 3.870 3.960 . 0 0 "[ . 1 . 2]" 1
1224 1 80 THR H 1 83 GLN H 4.460 . 4.460 3.333 3.272 3.377 . 0 0 "[ . 1 . 2]" 1
1225 1 79 HIS HA 1 80 THR H 3.380 . 3.380 3.410 3.391 3.421 0.041 1 0 "[ . 1 . 2]" 1
1226 1 76 VAL HA 1 80 THR H 4.930 . 4.930 5.060 5.028 5.103 0.173 6 0 "[ . 1 . 2]" 1
1227 1 80 THR H 1 80 THR MG 4.070 . 4.070 3.591 3.535 3.621 . 0 0 "[ . 1 . 2]" 1
1228 1 80 THR H 1 84 VAL MG2 5.390 . 5.390 4.080 3.568 4.346 . 0 0 "[ . 1 . 2]" 1
1229 1 26 LYS QE 1 30 GLY H 5.450 . 5.450 4.887 4.783 5.023 . 0 0 "[ . 1 . 2]" 1
1230 1 103 ARG H 1 104 GLY H 4.980 . 4.980 4.389 4.279 4.540 . 0 0 "[ . 1 . 2]" 1
1231 1 66 ASP HA 1 103 ARG H 4.480 . 4.480 4.567 4.484 4.658 0.178 13 0 "[ . 1 . 2]" 1
1232 1 17 GLY H 1 18 LYS H 4.400 . 4.400 4.363 4.192 4.436 0.036 16 0 "[ . 1 . 2]" 1
1233 1 16 LYS H 1 17 GLY H 4.250 . 4.250 4.211 4.139 4.282 0.032 1 0 "[ . 1 . 2]" 1
1234 1 17 GLY H 1 19 PHE QE 5.500 . 5.500 4.205 2.609 5.519 0.019 11 0 "[ . 1 . 2]" 1
1235 1 16 LYS HA 1 17 GLY H 2.850 . 2.850 2.441 1.911 2.837 . 0 0 "[ . 1 . 2]" 1
1236 1 16 LYS HB2 1 17 GLY H 3.600 . 3.600 3.112 2.712 3.681 0.081 9 0 "[ . 1 . 2]" 1
1237 1 54 GLY H 1 57 ALA H 5.120 . 5.120 3.961 3.752 4.196 . 0 0 "[ . 1 . 2]" 1
1238 1 38 GLY H 1 43 GLU HB2 4.090 . 4.090 4.219 4.090 4.410 0.320 7 0 "[ . 1 . 2]" 1
1239 1 38 GLY H 1 43 GLU HB3 4.290 . 4.290 4.129 3.746 4.493 0.203 5 0 "[ . 1 . 2]" 1
1240 1 60 GLY H 1 62 MET H 5.130 . 5.130 3.868 3.437 4.271 . 0 0 "[ . 1 . 2]" 1
1241 1 58 LEU MD1 1 60 GLY H 5.160 . 5.160 4.956 4.806 5.171 0.011 8 0 "[ . 1 . 2]" 1
1242 1 58 LEU HB3 1 60 GLY H 4.590 . 4.590 4.695 4.655 4.780 0.190 1 0 "[ . 1 . 2]" 1
1243 1 34 THR H 1 48 LYS H 4.900 . 4.900 3.945 3.826 4.078 . 0 0 "[ . 1 . 2]" 1
1244 1 35 VAL QG 1 48 LYS H 5.420 . 5.420 3.566 3.270 3.761 . 0 0 "[ . 1 . 2]" 1
1245 1 52 LEU H 1 52 LEU MD1 4.020 . 4.020 3.169 1.866 4.007 . 0 0 "[ . 1 . 2]" 1
1246 1 34 THR HB 1 35 VAL H 3.220 . 3.220 2.787 2.603 2.891 . 0 0 "[ . 1 . 2]" 1
1247 1 34 THR HB 1 35 VAL QG 4.450 . 4.450 4.376 4.248 4.483 0.033 20 0 "[ . 1 . 2]" 1
1248 1 74 THR HB 1 75 CYS H 4.540 . 4.540 4.174 4.072 4.248 . 0 0 "[ . 1 . 2]" 1
1249 1 71 VAL QG 1 74 THR HB 5.310 . 5.310 3.194 2.547 3.962 . 0 0 "[ . 1 . 2]" 1
1250 1 115 ASN HA 1 120 THR HB 4.420 . 4.420 2.241 1.791 2.918 0.009 9 0 "[ . 1 . 2]" 1
1251 1 115 ASN HB2 1 120 THR HB 4.700 . 4.700 4.656 4.195 4.856 0.156 12 0 "[ . 1 . 2]" 1
1252 1 120 THR HB 1 121 SER H 4.280 . 4.280 2.672 1.975 3.702 . 0 0 "[ . 1 . 2]" 1
1253 1 22 THR HB 1 61 LYS HA 4.670 . 4.670 4.610 4.369 4.797 0.127 8 0 "[ . 1 . 2]" 1
1254 1 21 HIS HA 1 22 THR HB 5.000 . 5.000 4.670 4.330 4.859 . 0 0 "[ . 1 . 2]" 1
1255 1 47 ILE HB 1 64 THR HB 4.510 . 4.510 4.589 4.561 4.614 0.104 13 0 "[ . 1 . 2]" 1
1256 1 47 ILE MG 1 64 THR HB 4.700 . 4.700 4.388 4.096 4.712 0.012 16 0 "[ . 1 . 2]" 1
1257 1 64 THR HB 1 65 GLY HA3 4.800 . 4.800 4.603 4.380 4.806 0.006 15 0 "[ . 1 . 2]" 1
1258 1 64 THR H 1 64 THR HB 3.530 . 3.530 3.504 3.387 3.552 0.022 10 0 "[ . 1 . 2]" 1
1259 1 9 THR HB 1 14 GLU HB3 5.060 . 5.060 4.425 4.033 4.962 . 0 0 "[ . 1 . 2]" 1
1260 1 9 THR HB 1 11 ASN H 5.020 . 5.020 4.835 4.632 5.076 0.056 16 0 "[ . 1 . 2]" 1
1261 1 9 THR HB 1 15 LEU QD 5.190 . 5.190 4.208 3.519 5.088 . 0 0 "[ . 1 . 2]" 1
1262 1 27 SER HB2 1 55 PRO HG2 4.640 . 4.640 4.625 4.453 4.729 0.089 6 0 "[ . 1 . 2]" 1
1263 1 26 LYS HA 1 27 SER HB3 4.730 . 4.730 4.509 4.379 4.760 0.030 15 0 "[ . 1 . 2]" 1
1264 1 27 SER HB3 1 55 PRO HG3 4.560 . 4.560 3.244 2.722 3.733 . 0 0 "[ . 1 . 2]" 1
1265 1 85 VAL HA 1 87 ILE H 4.530 . 4.530 4.244 4.153 4.352 . 0 0 "[ . 1 . 2]" 1
1266 1 84 VAL HB 1 85 VAL HA 4.570 . 4.570 4.549 4.376 4.593 0.023 5 0 "[ . 1 . 2]" 1
1267 1 95 ALA HA 1 96 SER QB 5.260 . 5.260 4.564 4.036 4.717 . 0 0 "[ . 1 . 2]" 1
1268 1 23 LYS QE 1 96 SER QB . . 4.080 3.107 2.554 3.742 . 0 0 "[ . 1 . 2]" 1
1269 1 70 SER HB3 1 71 VAL QG 5.100 . 5.100 4.426 4.158 4.684 . 0 0 "[ . 1 . 2]" 1
1270 1 55 PRO HA 1 58 LEU HB2 3.700 . 3.700 2.089 1.949 2.277 . 0 0 "[ . 1 . 2]" 1
1271 1 55 PRO HA 1 58 LEU HB3 4.200 . 4.200 3.310 3.145 3.568 . 0 0 "[ . 1 . 2]" 1
1272 1 24 LEU MD2 1 55 PRO HA 4.500 . 4.500 4.511 4.445 4.537 0.037 6 0 "[ . 1 . 2]" 1
1273 1 12 PRO HA 1 19 PHE QE 5.380 . 5.380 3.040 2.600 3.358 . 0 0 "[ . 1 . 2]" 1
1274 1 84 VAL HA 1 87 ILE HB 3.650 . 3.650 2.538 2.179 2.771 . 0 0 "[ . 1 . 2]" 1
1275 1 84 VAL HA 1 84 VAL MG1 3.150 . 3.150 2.395 2.263 2.497 . 0 0 "[ . 1 . 2]" 1
1276 1 76 VAL QG 1 84 VAL HA 5.160 . 5.160 2.905 2.361 3.730 . 0 0 "[ . 1 . 2]" 1
1277 1 84 VAL HA 1 88 PHE H 4.870 . 4.870 4.205 3.957 4.359 . 0 0 "[ . 1 . 2]" 1
1278 1 87 ILE HA 1 90 SER QB 4.090 . 4.090 2.170 2.058 2.285 . 0 0 "[ . 1 . 2]" 1
1279 1 87 ILE HA 1 87 ILE MD 3.830 . 3.830 2.542 1.876 3.800 . 0 0 "[ . 1 . 2]" 1
1280 1 49 SER H 1 49 SER HB2 3.940 . 3.940 3.612 3.524 3.659 . 0 0 "[ . 1 . 2]" 1
1281 1 49 SER HB2 1 64 THR MG 4.660 . 4.660 2.416 2.025 2.730 . 0 0 "[ . 1 . 2]" 1
1282 1 27 SER H 1 93 ILE HA 5.340 . 5.340 5.387 5.357 5.413 0.073 17 0 "[ . 1 . 2]" 1
1283 1 93 ILE HA 1 94 GLY QA 4.680 . 4.680 3.832 3.810 3.857 . 0 0 "[ . 1 . 2]" 1
1284 1 30 GLY HA2 1 93 ILE HA 4.550 . 4.550 3.762 3.603 3.848 . 0 0 "[ . 1 . 2]" 1
1285 1 26 LYS HB2 1 93 ILE HA 4.710 . 4.710 4.715 4.667 4.758 0.048 10 0 "[ . 1 . 2]" 1
1286 1 93 ILE HA 1 93 ILE HG13 3.810 . 3.810 3.598 3.585 3.614 . 0 0 "[ . 1 . 2]" 1
1287 1 69 VAL HA 1 77 LEU H 4.450 . 4.450 3.724 3.622 3.805 . 0 0 "[ . 1 . 2]" 1
1288 1 69 VAL HA 1 77 LEU HG 4.290 . 4.290 4.189 4.114 4.249 . 0 0 "[ . 1 . 2]" 1
1289 1 117 SER QB 1 118 LEU QB 4.820 . 4.820 4.005 3.092 4.891 0.071 16 0 "[ . 1 . 2]" 1
1290 1 114 PRO HA 1 115 ASN H 3.440 . 3.440 3.271 3.153 3.450 0.010 4 0 "[ . 1 . 2]" 1
1291 1 89 GLN H 1 90 SER QB 4.450 . 4.450 4.186 4.033 4.327 . 0 0 "[ . 1 . 2]" 1
1292 1 117 SER QB 1 118 LEU H 3.360 . 3.360 2.634 1.783 3.513 0.153 15 0 "[ . 1 . 2]" 1
1293 1 115 ASN HB2 1 121 SER QB 4.990 . 4.990 4.139 1.967 5.134 0.144 4 0 "[ . 1 . 2]" 1
1294 1 63 GLU HA 1 64 THR HA 4.680 . 4.680 4.356 4.290 4.401 . 0 0 "[ . 1 . 2]" 1
1295 1 47 ILE HG12 1 64 THR HA 4.690 . 4.690 4.707 4.596 4.739 0.049 15 0 "[ . 1 . 2]" 1
1296 1 111 PRO HA 1 113 ASP H 4.130 . 4.130 4.176 3.870 4.323 0.193 19 0 "[ . 1 . 2]" 1
1297 1 115 ASN HA 1 121 SER QB 3.690 . 3.690 3.436 2.587 3.871 0.181 7 0 "[ . 1 . 2]" 1
1298 1 41 PRO HA 1 42 ASP H 2.970 . 2.970 2.447 2.368 2.550 . 0 0 "[ . 1 . 2]" 1
1299 1 41 PRO HA 1 43 GLU H 4.160 . 4.160 3.986 3.900 4.103 . 0 0 "[ . 1 . 2]" 1
1300 1 41 PRO HA 1 80 THR MG 4.030 . 4.030 4.105 3.895 4.173 0.143 5 0 "[ . 1 . 2]" 1
1301 1 6 PRO HA 1 7 PHE H 2.750 . 2.750 2.640 2.467 2.765 0.015 1 0 "[ . 1 . 2]" 1
1302 1 108 PRO HA 1 109 PHE QB 4.300 . 4.300 4.261 3.735 4.476 0.176 12 0 "[ . 1 . 2]" 1
1303 1 92 PRO HA 1 93 ILE H 2.650 . 2.650 2.325 2.292 2.350 . 0 0 "[ . 1 . 2]" 1
1304 1 13 SER QB 1 14 GLU H 4.010 . 4.010 2.945 2.594 3.447 . 0 0 "[ . 1 . 2]" 1
1305 1 13 SER QB 1 14 GLU HG3 4.720 . 4.720 4.618 4.463 4.762 0.042 2 0 "[ . 1 . 2]" 1
1306 1 115 ASN HA 1 116 THR HA 4.360 . 4.360 4.544 4.468 4.606 0.246 4 0 "[ . 1 . 2]" 1
1307 1 116 THR HA 1 117 SER H 3.350 . 3.350 3.305 3.037 3.462 0.112 9 0 "[ . 1 . 2]" 1
1308 1 118 LEU QB 1 119 VAL HA 4.820 . 4.820 4.596 4.176 4.912 0.092 3 0 "[ . 1 . 2]" 1
1309 1 119 VAL HA 1 120 THR MG 5.500 . 5.500 4.357 3.473 5.598 0.098 19 0 "[ . 1 . 2]" 1
1310 1 119 VAL HA 1 119 VAL QG 3.140 . 3.140 2.288 2.168 2.416 . 0 0 "[ . 1 . 2]" 1
1311 1 122 VAL HA 1 122 VAL QG 3.230 . 3.230 2.248 2.134 2.413 . 0 0 "[ . 1 . 2]" 1
1312 1 122 VAL HA 1 123 ALA H 2.870 . 2.870 2.407 1.972 2.995 0.125 13 0 "[ . 1 . 2]" 1
1313 1 51 VAL HA 1 52 LEU HB3 4.530 . 4.530 4.721 4.346 4.991 0.461 10 0 "[ . 1 . 2]" 1
1314 1 106 PRO HA 1 107 LEU HB2 4.270 . 4.270 4.189 3.892 4.379 0.109 20 0 "[ . 1 . 2]" 1
1315 1 106 PRO HA 1 107 LEU H 2.870 . 2.870 2.213 2.046 2.412 . 0 0 "[ . 1 . 2]" 1
1316 1 50 LEU HA 1 51 VAL HA 5.280 . 5.280 4.353 4.239 4.448 . 0 0 "[ . 1 . 2]" 1
1317 1 51 VAL HA 1 53 ASP H 5.140 . 5.140 3.398 3.166 3.774 . 0 0 "[ . 1 . 2]" 1
1318 1 46 GLN HG2 1 67 VAL HA 4.920 . 4.920 2.490 2.268 2.683 . 0 0 "[ . 1 . 2]" 1
1319 1 46 GLN HA 1 67 VAL HA 3.940 . 3.940 1.807 1.757 1.890 0.043 3 0 "[ . 1 . 2]" 1
1320 1 67 VAL HA 1 68 ILE H 3.620 . 3.620 2.070 2.018 2.132 . 0 0 "[ . 1 . 2]" 1
1321 1 46 GLN HG3 1 67 VAL HA 4.650 . 4.650 3.813 3.414 4.034 . 0 0 "[ . 1 . 2]" 1
1322 1 124 ILE HA 1 125 LEU H 2.690 . 2.690 2.214 2.075 2.507 . 0 0 "[ . 1 . 2]" 1
1323 1 34 THR HB 1 35 VAL HA 4.380 . 4.380 4.436 4.394 4.500 0.120 7 0 "[ . 1 . 2]" 1
1324 1 35 VAL HA 1 48 LYS HB3 4.380 . 4.380 3.654 3.160 4.072 . 0 0 "[ . 1 . 2]" 1
1325 1 71 VAL HA 1 99 LEU QD 4.350 . 4.350 2.074 1.997 2.304 . 0 0 "[ . 1 . 2]" 1
1326 1 81 HIS HA 1 84 VAL H 4.480 . 4.480 3.365 3.217 3.516 . 0 0 "[ . 1 . 2]" 1
1327 1 80 THR H 1 81 HIS HA 4.210 . 4.210 4.185 4.029 4.264 0.054 7 0 "[ . 1 . 2]" 1
1328 1 81 HIS HA 1 84 VAL MG2 3.590 . 3.590 1.879 1.815 1.944 . 0 0 "[ . 1 . 2]" 1
1329 1 34 THR HA 1 34 THR MG 2.940 . 2.940 2.395 2.274 2.463 . 0 0 "[ . 1 . 2]" 1
1330 1 75 CYS HA 1 77 LEU H 3.910 . 3.910 3.358 3.199 3.574 . 0 0 "[ . 1 . 2]" 1
1331 1 70 SER HB2 1 75 CYS HA 3.960 . 3.960 3.912 3.759 3.991 0.031 9 0 "[ . 1 . 2]" 1
1332 1 90 SER HA 1 90 SER QB 2.620 . 2.620 2.432 2.381 2.452 . 0 0 "[ . 1 . 2]" 1
1333 1 89 GLN HB3 1 90 SER HA 4.850 . 4.850 4.428 4.235 4.655 . 0 0 "[ . 1 . 2]" 1
1334 1 76 VAL HA 1 79 HIS H 4.500 . 4.500 3.568 3.443 3.670 . 0 0 "[ . 1 . 2]" 1
1335 1 88 PHE HA 1 91 ILE H 3.910 . 3.910 3.121 3.024 3.255 . 0 0 "[ . 1 . 2]" 1
1336 1 20 ILE HA 1 20 ILE HG12 3.910 . 3.910 2.663 2.493 3.243 . 0 0 "[ . 1 . 2]" 1
1337 1 20 ILE HA 1 21 HIS HA 4.400 . 4.400 4.340 4.277 4.409 0.009 7 0 "[ . 1 . 2]" 1
1338 1 76 VAL HA 1 79 HIS HB2 4.630 . 4.630 1.968 1.921 1.998 . 0 0 "[ . 1 . 2]" 1
1339 1 70 SER HA 1 75 CYS HA 3.760 . 3.760 2.715 2.382 2.864 . 0 0 "[ . 1 . 2]" 1
1340 1 20 ILE HA 1 21 HIS HB2 3.910 . 3.910 3.901 3.757 3.982 0.072 12 0 "[ . 1 . 2]" 1
1341 1 86 LYS HA 1 86 LYS HB2 2.890 . 2.890 2.293 2.239 2.325 . 0 0 "[ . 1 . 2]" 1
1342 1 86 LYS HA 1 86 LYS QD 3.880 . 3.880 3.668 3.592 3.826 . 0 0 "[ . 1 . 2]" 1
1343 1 86 LYS HA 1 86 LYS HG2 3.870 . 3.870 3.034 2.928 3.121 . 0 0 "[ . 1 . 2]" 1
1344 1 86 LYS HA 1 86 LYS HG3 3.880 . 3.880 3.910 3.811 3.955 0.075 14 0 "[ . 1 . 2]" 1
1345 1 85 VAL QG 1 86 LYS HA 4.290 . 4.290 3.505 3.337 3.637 . 0 0 "[ . 1 . 2]" 1
1346 1 86 LYS HA 1 90 SER H 4.790 . 4.790 4.084 3.932 4.199 . 0 0 "[ . 1 . 2]" 1
1347 1 9 THR HA 1 10 ARG H 3.000 . 3.000 2.990 2.884 3.038 0.038 15 0 "[ . 1 . 2]" 1
1348 1 9 THR HA 1 10 ARG QD 5.130 . 5.130 4.939 4.532 5.224 0.094 15 0 "[ . 1 . 2]" 1
1349 1 9 THR HA 1 10 ARG HG3 4.200 . 4.200 3.226 2.734 3.671 . 0 0 "[ . 1 . 2]" 1
1350 1 7 PHE HA 1 8 PHE H 2.820 . 2.820 2.101 2.070 2.146 . 0 0 "[ . 1 . 2]" 1
1351 1 91 ILE HA 1 92 PRO HD2 3.570 . 3.570 3.090 3.037 3.137 . 0 0 "[ . 1 . 2]" 1
1352 1 91 ILE HA 1 91 ILE HG13 3.930 . 3.930 2.573 2.535 2.602 . 0 0 "[ . 1 . 2]" 1
1353 1 91 ILE HA 1 91 ILE HG12 3.870 . 3.870 2.301 2.238 2.371 . 0 0 "[ . 1 . 2]" 1
1354 1 47 ILE HA 1 65 GLY H 5.260 . 5.260 4.345 4.163 4.522 . 0 0 "[ . 1 . 2]" 1
1355 1 36 VAL H 1 47 ILE HA 4.400 . 4.400 3.933 3.744 4.170 . 0 0 "[ . 1 . 2]" 1
1356 1 47 ILE HA 1 49 SER H 4.250 . 4.250 3.463 3.313 3.599 . 0 0 "[ . 1 . 2]" 1
1357 1 35 VAL HA 1 47 ILE HA 4.120 . 4.120 2.634 2.476 2.812 . 0 0 "[ . 1 . 2]" 1
1358 1 35 VAL QG 1 47 ILE HA 4.670 . 4.670 2.935 2.377 3.395 . 0 0 "[ . 1 . 2]" 1
1359 1 83 GLN HA 1 86 LYS H 4.570 . 4.570 3.510 3.312 3.755 . 0 0 "[ . 1 . 2]" 1
1360 1 83 GLN HA 1 83 GLN HE22 5.020 . 5.020 3.961 2.927 4.662 . 0 0 "[ . 1 . 2]" 1
1361 1 83 GLN HA 1 83 GLN HB3 3.040 . 3.040 2.591 2.516 2.758 . 0 0 "[ . 1 . 2]" 1
1362 1 82 ALA MB 1 83 GLN HA 4.390 . 4.390 3.810 3.743 3.868 . 0 0 "[ . 1 . 2]" 1
1363 1 89 GLN HA 1 91 ILE H 4.840 . 4.840 4.280 3.877 4.568 . 0 0 "[ . 1 . 2]" 1
1364 1 88 PHE H 1 89 GLN HA 5.220 . 5.220 5.145 5.074 5.217 . 0 0 "[ . 1 . 2]" 1
1365 1 88 PHE HA 1 89 GLN HA 5.000 . 5.000 4.770 4.701 4.885 . 0 0 "[ . 1 . 2]" 1
1366 1 117 SER HA 1 118 LEU H 2.740 . 2.740 2.447 2.046 2.821 0.081 15 0 "[ . 1 . 2]" 1
1367 1 117 SER HA 1 117 SER QB 2.620 . 2.620 2.302 2.162 2.416 . 0 0 "[ . 1 . 2]" 1
1368 1 117 SER HA 1 118 LEU QB 4.410 . 4.410 4.386 4.037 4.537 0.127 1 0 "[ . 1 . 2]" 1
1369 1 121 SER HA 1 122 VAL QG 4.500 . 4.500 3.773 3.228 4.468 . 0 0 "[ . 1 . 2]" 1
1370 1 109 PHE HA 1 110 ASP H 2.700 . 2.700 1.997 1.766 2.217 0.034 6 0 "[ . 1 . 2]" 1
1371 1 26 LYS HA 1 31 PHE HA 5.110 . 5.110 3.087 2.725 3.270 . 0 0 "[ . 1 . 2]" 1
1372 1 114 PRO HB2 1 121 SER HA 4.980 . 4.980 4.320 2.953 5.017 0.037 16 0 "[ . 1 . 2]" 1
1373 1 109 PHE HA 1 110 ASP HB3 4.250 . 4.250 4.013 3.556 4.361 0.111 3 0 "[ . 1 . 2]" 1
1374 1 52 LEU HA 1 53 ASP H 3.490 . 3.490 3.196 3.099 3.322 . 0 0 "[ . 1 . 2]" 1
1375 1 52 LEU HA 1 54 GLY H 3.950 . 3.950 3.510 3.131 3.835 . 0 0 "[ . 1 . 2]" 1
1376 1 52 LEU HA 1 53 ASP HB2 5.300 . 5.300 5.356 5.297 5.433 0.133 11 0 "[ . 1 . 2]" 1
1377 1 52 LEU HA 1 52 LEU HG 3.170 . 3.170 2.821 2.200 3.315 0.145 17 0 "[ . 1 . 2]" 1
1378 1 52 LEU HA 1 57 ALA MB 3.380 . 3.380 1.894 1.772 2.094 0.028 4 0 "[ . 1 . 2]" 1
1379 1 52 LEU HA 1 52 LEU MD1 3.380 . 3.380 3.510 3.072 3.711 0.331 5 0 "[ . 1 . 2]" 1
1380 1 7 PHE HA 1 8 PHE HA 4.600 . 4.600 4.384 4.353 4.413 . 0 0 "[ . 1 . 2]" 1
1381 1 8 PHE HA 1 9 THR MG 4.830 . 4.830 3.621 3.405 3.825 . 0 0 "[ . 1 . 2]" 1
1382 1 8 PHE HA 1 15 LEU QD 5.350 . 5.350 3.333 2.846 3.651 . 0 0 "[ . 1 . 2]" 1
1383 1 18 LYS H 1 19 PHE HA 5.100 . 5.100 4.799 4.252 5.013 . 0 0 "[ . 1 . 2]" 1
1384 1 19 PHE HA 1 102 CYS HA 4.240 . 4.240 2.348 2.060 2.499 . 0 0 "[ . 1 . 2]" 1
1385 1 19 PHE HA 1 102 CYS QB 4.950 . 4.950 3.468 3.149 3.795 . 0 0 "[ . 1 . 2]" 1
1386 1 19 PHE HA 1 20 ILE HG12 5.030 . 5.030 4.586 3.161 5.089 0.059 2 0 "[ . 1 . 2]" 1
1387 1 19 PHE HA 1 20 ILE HB 4.910 . 4.910 4.287 4.115 4.529 . 0 0 "[ . 1 . 2]" 1
1388 1 19 PHE HA 1 20 ILE MD 4.550 . 4.550 4.091 2.713 4.578 0.028 2 0 "[ . 1 . 2]" 1
1389 1 25 ARG HA 1 96 SER HA 3.550 . 3.550 1.864 1.800 2.077 . 0 0 "[ . 1 . 2]" 1
1390 1 26 LYS HA 1 96 SER HA 5.080 . 5.080 5.012 4.903 5.157 0.077 15 0 "[ . 1 . 2]" 1
1391 1 26 LYS HB2 1 96 SER HA 4.820 . 4.820 4.186 3.983 4.574 . 0 0 "[ . 1 . 2]" 1
1392 1 25 ARG HB2 1 96 SER HA 4.460 . 4.460 4.036 3.858 4.313 . 0 0 "[ . 1 . 2]" 1
1393 1 96 SER HA 1 97 VAL MG1 5.400 . 5.400 5.139 5.091 5.191 . 0 0 "[ . 1 . 2]" 1
1394 1 60 GLY QA 1 61 LYS HA 4.470 . 4.470 3.973 3.885 4.027 . 0 0 "[ . 1 . 2]" 1
1395 1 20 ILE MG 1 61 LYS HA 4.820 . 4.820 3.858 3.081 4.452 . 0 0 "[ . 1 . 2]" 1
1396 1 58 LEU HA 1 58 LEU MD2 3.690 . 3.690 3.741 3.709 3.760 0.070 19 0 "[ . 1 . 2]" 1
1397 1 103 ARG HA 1 103 ARG HE 4.580 . 4.580 4.200 3.011 4.688 0.108 1 0 "[ . 1 . 2]" 1
1398 1 70 SER HA 1 74 THR H 5.020 . 5.020 4.799 4.270 5.038 0.018 3 0 "[ . 1 . 2]" 1
1399 1 70 SER HA 1 77 LEU H 4.280 . 4.280 3.811 3.698 3.919 . 0 0 "[ . 1 . 2]" 1
1400 1 69 VAL HB 1 70 SER HA 4.870 . 4.870 4.699 4.550 4.816 . 0 0 "[ . 1 . 2]" 1
1401 1 70 SER HA 1 71 VAL QG 4.680 . 4.680 3.538 3.261 3.791 . 0 0 "[ . 1 . 2]" 1
1402 1 104 GLY HA2 1 105 TYR HA 4.360 . 4.360 4.421 4.373 4.470 0.110 5 0 "[ . 1 . 2]" 1
1403 1 69 VAL QG 1 77 LEU HA 4.260 . 4.260 3.422 3.350 3.487 . 0 0 "[ . 1 . 2]" 1
1404 1 66 ASP HA 1 67 VAL H 3.350 . 3.350 2.305 2.145 2.394 . 0 0 "[ . 1 . 2]" 1
1405 1 66 ASP HA 1 103 ARG QB 4.030 . 4.030 3.676 2.567 4.176 0.146 6 0 "[ . 1 . 2]" 1
1406 1 47 ILE MG 1 48 LYS HA 4.430 . 4.430 4.345 4.166 4.436 0.006 12 0 "[ . 1 . 2]" 1
1407 1 36 VAL H 1 48 LYS HA 4.420 . 4.420 4.316 4.129 4.476 0.056 13 0 "[ . 1 . 2]" 1
1408 1 59 ASP HA 1 60 GLY QA 4.260 . 4.260 4.253 4.194 4.280 0.020 20 0 "[ . 1 . 2]" 1
1409 1 33 PHE HA 1 49 SER H 4.770 . 4.770 4.536 4.404 4.671 . 0 0 "[ . 1 . 2]" 1
1410 1 33 PHE HA 1 56 ALA MB 5.160 . 5.160 3.621 3.392 3.785 . 0 0 "[ . 1 . 2]" 1
1411 1 33 PHE HA 1 34 THR MG 4.930 . 4.930 3.386 3.295 3.496 . 0 0 "[ . 1 . 2]" 1
1412 1 33 PHE HA 1 51 VAL MG2 4.830 . 4.830 4.051 3.862 4.342 . 0 0 "[ . 1 . 2]" 1
1413 1 33 PHE HA 1 47 ILE MD 5.370 . 5.370 4.884 4.620 5.163 . 0 0 "[ . 1 . 2]" 1
1414 1 127 LYS HA 1 128 GLU H 3.300 . 3.300 2.735 2.070 3.392 0.092 5 0 "[ . 1 . 2]" 1
1415 1 72 ASN H 1 73 ASP HA 5.010 . 5.010 4.850 4.578 5.032 0.022 5 0 "[ . 1 . 2]" 1
1416 1 62 MET HA 1 62 MET QG 3.800 . 3.800 2.450 2.211 3.307 . 0 0 "[ . 1 . 2]" 1
1417 1 62 MET HA 1 62 MET ME 4.930 . 4.930 3.851 3.331 4.316 . 0 0 "[ . 1 . 2]" 1
1418 1 118 LEU HA 1 119 VAL H 2.770 . 2.770 2.440 1.986 2.872 0.102 15 0 "[ . 1 . 2]" 1
1419 1 71 VAL H 1 73 ASP HA 4.610 . 4.610 4.692 4.610 4.841 0.231 12 0 "[ . 1 . 2]" 1
1420 1 3 MET HA 1 4 GLY QA 4.310 . 4.310 4.039 3.834 4.339 0.029 4 0 "[ . 1 . 2]" 1
1421 1 125 LEU HA 1 125 LEU MD2 3.250 . 3.250 2.113 2.020 2.222 . 0 0 "[ . 1 . 2]" 1
1422 1 125 LEU HA 1 125 LEU HB3 2.760 . 2.760 2.444 2.391 2.483 . 0 0 "[ . 1 . 2]" 1
1423 1 56 ALA HA 1 62 MET QG 4.870 . 4.870 4.120 2.533 4.618 . 0 0 "[ . 1 . 2]" 1
1424 1 82 ALA HA 1 86 LYS H 4.570 . 4.570 4.129 3.862 4.250 . 0 0 "[ . 1 . 2]" 1
1425 1 81 HIS HB3 1 82 ALA HA 4.750 . 4.750 4.044 3.926 4.137 . 0 0 "[ . 1 . 2]" 1
1426 1 82 ALA HA 1 85 VAL HB 3.380 . 3.380 3.138 2.983 3.240 . 0 0 "[ . 1 . 2]" 1
1427 1 82 ALA HA 1 85 VAL QG 3.540 . 3.540 3.510 3.396 3.589 0.049 11 0 "[ . 1 . 2]" 1
1428 1 81 HIS H 1 82 ALA HA 5.500 . 5.500 5.511 5.482 5.543 0.043 18 0 "[ . 1 . 2]" 1
1429 1 82 ALA HA 1 84 VAL H 4.850 . 4.850 4.609 4.527 4.703 . 0 0 "[ . 1 . 2]" 1
1430 1 21 HIS HA 1 100 GLU HA 3.910 . 3.910 2.437 1.951 2.803 . 0 0 "[ . 1 . 2]" 1
1431 1 29 ARG HA 1 29 ARG QD 3.620 . 3.620 2.623 1.917 3.743 0.123 7 0 "[ . 1 . 2]" 1
1432 1 125 LEU HA 1 126 ASP H 2.840 . 2.840 2.492 1.949 2.958 0.118 9 0 "[ . 1 . 2]" 1
1433 1 57 ALA HA 1 59 ASP H 4.520 . 4.520 4.508 4.413 4.557 0.037 8 0 "[ . 1 . 2]" 1
1434 1 23 LYS HA 1 98 ASP HA 3.420 . 3.420 2.064 1.953 2.178 . 0 0 "[ . 1 . 2]" 1
1435 1 71 VAL QG 1 72 ASN HA 4.370 . 4.370 3.788 3.626 4.085 . 0 0 "[ . 1 . 2]" 1
1436 1 57 ALA HA 1 58 LEU MD1 5.100 . 5.100 4.498 4.352 4.669 . 0 0 "[ . 1 . 2]" 1
1437 1 57 ALA HA 1 60 GLY H 4.340 . 4.340 3.581 3.385 3.759 . 0 0 "[ . 1 . 2]" 1
1438 1 23 LYS HA 1 99 LEU H 3.530 . 3.530 2.725 2.578 2.868 . 0 0 "[ . 1 . 2]" 1
1439 1 21 HIS HA 1 22 THR H 2.740 . 2.740 2.099 1.922 2.163 . 0 0 "[ . 1 . 2]" 1
1440 1 23 LYS HA 1 97 VAL MG1 4.810 . 4.810 4.615 4.571 4.701 . 0 0 "[ . 1 . 2]" 1
1441 1 16 LYS HA 1 16 LYS HB2 2.840 . 2.840 2.948 2.914 2.964 0.124 5 0 "[ . 1 . 2]" 1
1442 1 52 LEU HA 1 53 ASP HA 4.550 . 4.550 4.582 4.473 4.659 0.109 6 0 "[ . 1 . 2]" 1
1443 1 42 ASP HA 1 43 GLU HA 4.690 . 4.690 4.453 4.345 4.569 . 0 0 "[ . 1 . 2]" 1
1444 1 43 GLU HA 1 43 GLU HG2 3.680 . 3.680 2.666 2.377 3.179 . 0 0 "[ . 1 . 2]" 1
1445 1 8 PHE HB2 1 43 GLU HA 4.860 . 4.860 3.968 3.608 4.325 . 0 0 "[ . 1 . 2]" 1
1446 1 33 PHE HA 1 50 LEU HA 3.750 . 3.750 2.005 1.922 2.076 . 0 0 "[ . 1 . 2]" 1
1447 1 115 ASN HA 1 115 ASN HB2 2.780 . 2.780 2.682 2.135 2.926 0.146 10 0 "[ . 1 . 2]" 1
1448 1 114 PRO HG3 1 115 ASN HA 4.050 . 4.050 4.366 4.248 4.503 0.453 4 0 "[ . 1 . 2]" 1
1449 1 24 LEU H 1 98 ASP HA 3.670 . 3.670 3.700 3.620 3.747 0.077 10 0 "[ . 1 . 2]" 1
1450 1 23 LYS HB3 1 98 ASP HA 4.000 . 4.000 3.870 3.699 4.020 0.020 10 0 "[ . 1 . 2]" 1
1451 1 97 VAL MG1 1 98 ASP HA 5.010 . 5.010 4.225 4.115 4.297 . 0 0 "[ . 1 . 2]" 1
1452 1 71 VAL QG 1 99 LEU HA 4.580 . 4.580 3.660 3.232 3.854 . 0 0 "[ . 1 . 2]" 1
1453 1 50 LEU HA 1 50 LEU MD2 3.770 . 3.770 3.847 3.726 3.894 0.124 15 0 "[ . 1 . 2]" 1
1454 1 46 GLN HE21 1 107 LEU HA 4.530 . 4.530 3.632 3.284 4.109 . 0 0 "[ . 1 . 2]" 1
1455 1 98 ASP HA 1 99 LEU QD 4.660 . 4.660 4.248 4.094 4.355 . 0 0 "[ . 1 . 2]" 1
1456 1 107 LEU HA 1 108 PRO HD2 3.440 . 3.440 2.500 2.400 2.587 . 0 0 "[ . 1 . 2]" 1
1457 1 107 LEU HA 1 108 PRO HG2 4.420 . 4.420 4.426 4.342 4.469 0.049 9 0 "[ . 1 . 2]" 1
1458 1 40 GLU HA 1 40 GLU HG2 3.840 . 3.840 3.658 3.547 3.739 . 0 0 "[ . 1 . 2]" 1
1459 1 40 GLU HA 1 80 THR MG 4.550 . 4.550 2.579 2.189 3.281 . 0 0 "[ . 1 . 2]" 1
1460 1 40 GLU HA 1 41 PRO QD 2.930 . 2.930 2.189 2.141 2.233 . 0 0 "[ . 1 . 2]" 1
1461 1 42 ASP HA 1 43 GLU H 3.630 . 3.630 3.457 3.415 3.500 . 0 0 "[ . 1 . 2]" 1
1462 1 41 PRO HA 1 42 ASP HA 4.400 . 4.400 4.434 4.418 4.455 0.055 9 0 "[ . 1 . 2]" 1
1463 1 68 ILE HA 1 101 LEU HA 4.070 . 4.070 2.557 2.422 2.646 . 0 0 "[ . 1 . 2]" 1
1464 1 123 ALA HA 1 124 ILE H 2.710 . 2.710 2.496 2.108 2.908 0.198 1 0 "[ . 1 . 2]" 1
1465 1 122 VAL QG 1 123 ALA HA 4.990 . 4.990 3.947 3.324 4.488 . 0 0 "[ . 1 . 2]" 1
1466 1 113 ASP HA 1 113 ASP HB3 2.980 . 2.980 2.867 2.300 3.000 0.020 8 0 "[ . 1 . 2]" 1
1467 1 113 ASP HA 1 114 PRO QD 2.600 . 2.600 1.778 1.742 1.799 0.058 10 0 "[ . 1 . 2]" 1
1468 1 12 PRO QD 1 13 SER H . . 4.770 3.004 2.749 3.335 . 0 0 "[ . 1 . 2]" 1
1469 1 91 ILE H 1 92 PRO HD2 5.390 . 5.390 5.428 5.406 5.451 0.061 12 0 "[ . 1 . 2]" 1
1470 1 12 PRO QD 1 77 LEU MD2 4.630 . 4.630 2.573 2.356 2.823 . 0 0 "[ . 1 . 2]" 1
1471 1 11 ASN H 1 12 PRO QD 5.490 . 5.490 4.048 3.859 4.182 . 0 0 "[ . 1 . 2]" 1
1472 1 6 PRO HD2 1 43 GLU HB3 4.210 . 4.210 4.149 3.625 4.279 0.069 13 0 "[ . 1 . 2]" 1
1473 1 113 ASP HB2 1 114 PRO QD 4.140 . 4.140 4.006 3.812 4.305 0.165 10 0 "[ . 1 . 2]" 1
1474 1 6 PRO HD3 1 43 GLU HB3 3.950 . 3.950 3.389 2.996 3.775 . 0 0 "[ . 1 . 2]" 1
1475 1 110 ASP H 1 111 PRO HD3 4.880 . 4.880 3.595 3.355 3.870 . 0 0 "[ . 1 . 2]" 1
1476 1 111 PRO HD3 1 112 ASP H 4.260 . 4.260 3.403 3.275 3.546 . 0 0 "[ . 1 . 2]" 1
1477 1 109 PHE QE 1 111 PRO HD3 5.230 . 5.230 3.998 3.744 4.347 . 0 0 "[ . 1 . 2]" 1
1478 1 110 ASP HA 1 111 PRO HD3 3.120 . 3.120 2.215 1.982 2.522 . 0 0 "[ . 1 . 2]" 1
1479 1 107 LEU MD2 1 108 PRO HD2 4.180 . 4.180 2.051 1.864 2.392 . 0 0 "[ . 1 . 2]" 1
1480 1 105 TYR HA 1 106 PRO QD 3.480 . 3.480 1.956 1.841 2.038 . 0 0 "[ . 1 . 2]" 1
1481 1 128 GLU HA 1 129 PRO HD3 3.410 . 3.410 2.667 2.519 3.271 . 0 0 "[ . 1 . 2]" 1
1482 1 40 GLU HB2 1 41 PRO QD 3.370 . 3.370 1.967 1.886 2.072 . 0 0 "[ . 1 . 2]" 1
1483 1 40 GLU HB3 1 41 PRO QD 3.760 . 3.760 2.957 2.817 3.089 . 0 0 "[ . 1 . 2]" 1
1484 1 107 LEU HA 1 108 PRO HD3 3.570 . 3.570 1.919 1.840 2.042 . 0 0 "[ . 1 . 2]" 1
1485 1 107 LEU HG 1 108 PRO HD3 4.270 . 4.270 4.080 3.423 4.340 0.070 16 0 "[ . 1 . 2]" 1
1486 1 107 LEU HB3 1 108 PRO HD3 4.130 . 4.130 4.040 3.813 4.308 0.178 13 0 "[ . 1 . 2]" 1
1487 1 107 LEU H 1 108 PRO HD2 5.000 . 5.000 5.038 4.931 5.108 0.108 2 0 "[ . 1 . 2]" 1
1488 1 46 GLN HE22 1 108 PRO HD2 5.350 . 5.350 4.524 4.349 4.873 . 0 0 "[ . 1 . 2]" 1
1489 1 106 PRO QD 1 107 LEU H 5.070 . 5.070 4.924 4.717 4.981 . 0 0 "[ . 1 . 2]" 1
1490 1 67 VAL MG1 1 106 PRO QD 5.410 . 5.410 5.227 4.963 5.415 0.005 3 0 "[ . 1 . 2]" 1
1491 1 128 GLU HA 1 129 PRO HD2 3.490 . 3.490 2.073 1.984 2.374 . 0 0 "[ . 1 . 2]" 1
1492 1 107 LEU H 1 108 PRO HD3 4.840 . 4.840 4.408 4.159 4.627 . 0 0 "[ . 1 . 2]" 1
1493 1 11 ASN HA 1 77 LEU MD2 4.640 . 4.640 3.529 3.288 3.749 . 0 0 "[ . 1 . 2]" 1
1494 1 11 ASN HA 1 12 PRO QD . . 3.290 1.814 1.779 1.870 0.021 7 0 "[ . 1 . 2]" 1
1495 1 27 SER HB3 1 55 PRO HD2 4.820 . 4.820 4.531 4.194 4.823 0.003 12 0 "[ . 1 . 2]" 1
1496 1 55 PRO HD2 1 56 ALA H 4.700 . 4.700 3.119 2.909 3.229 . 0 0 "[ . 1 . 2]" 1
1497 1 54 GLY H 1 55 PRO HD3 5.090 . 5.090 5.134 5.120 5.147 0.057 8 0 "[ . 1 . 2]" 1
1498 1 24 LEU MD2 1 55 PRO HD3 5.500 . 5.500 5.534 5.510 5.582 0.082 5 0 "[ . 1 . 2]" 1
1499 1 51 VAL MG1 1 55 PRO HD2 5.500 . 5.500 5.375 4.700 5.603 0.103 20 0 "[ . 1 . 2]" 1
1500 1 59 ASP HB2 1 60 GLY QA 5.090 . 5.090 5.169 4.995 5.217 0.127 7 0 "[ . 1 . 2]" 1
1501 1 57 ALA MB 1 60 GLY QA 5.310 . 5.310 4.356 4.100 4.556 . 0 0 "[ . 1 . 2]" 1
1502 1 24 LEU HB2 1 25 ARG H 4.750 . 4.750 4.424 4.368 4.478 . 0 0 "[ . 1 . 2]" 1
1503 1 24 LEU HB2 1 99 LEU HG 4.520 . 4.520 3.543 3.274 3.887 . 0 0 "[ . 1 . 2]" 1
1504 1 24 LEU HB3 1 99 LEU QD 5.190 . 5.190 2.750 2.658 2.854 . 0 0 "[ . 1 . 2]" 1
1505 1 24 LEU HB3 1 97 VAL MG2 5.390 . 5.390 2.929 2.791 3.099 . 0 0 "[ . 1 . 2]" 1
1506 1 38 GLY QA 1 43 GLU HB3 4.510 . 4.510 3.676 2.494 4.540 0.030 3 0 "[ . 1 . 2]" 1
1507 1 38 GLY QA 1 81 HIS HB2 4.570 . 4.570 2.990 2.281 3.753 . 0 0 "[ . 1 . 2]" 1
1508 1 38 GLY QA 1 81 HIS HB3 5.090 . 5.090 4.467 3.833 5.171 0.081 18 0 "[ . 1 . 2]" 1
1509 1 38 GLY QA 1 43 GLU HB2 4.670 . 4.670 3.098 1.960 3.999 . 0 0 "[ . 1 . 2]" 1
1510 1 37 GLY HA3 1 38 GLY QA 5.010 . 5.010 3.832 3.573 3.980 . 0 0 "[ . 1 . 2]" 1
1511 1 38 GLY QA 1 39 ASP QB 5.000 . 5.000 4.201 3.829 4.547 . 0 0 "[ . 1 . 2]" 1
1512 1 32 GLY HA3 1 51 VAL MG2 4.810 . 4.810 4.122 3.304 4.701 . 0 0 "[ . 1 . 2]" 1
1513 1 32 GLY HA2 1 51 VAL MG2 4.420 . 4.420 3.412 2.776 3.918 . 0 0 "[ . 1 . 2]" 1
1514 1 32 GLY HA2 1 51 VAL HB 4.740 . 4.740 3.634 3.283 3.989 . 0 0 "[ . 1 . 2]" 1
1515 1 32 GLY HA2 1 51 VAL MG1 5.300 . 5.300 4.780 4.392 5.169 . 0 0 "[ . 1 . 2]" 1
1516 1 42 ASP H 1 78 GLY HA3 4.710 . 4.710 3.467 3.376 3.573 . 0 0 "[ . 1 . 2]" 1
1517 1 24 LEU H 1 99 LEU QB 4.840 . 4.840 4.407 4.253 4.662 . 0 0 "[ . 1 . 2]" 1
1518 1 99 LEU QB 1 101 LEU QD 5.000 . 5.000 3.005 2.080 3.554 . 0 0 "[ . 1 . 2]" 1
1519 1 18 LYS H 1 104 GLY HA2 5.030 . 5.030 4.609 4.208 5.071 0.041 2 0 "[ . 1 . 2]" 1
1520 1 30 GLY HA2 1 93 ILE HG12 5.500 . 5.500 5.428 5.254 5.522 0.022 10 0 "[ . 1 . 2]" 1
1521 1 54 GLY HA2 1 55 PRO HG3 5.180 . 5.180 4.577 4.427 4.752 . 0 0 "[ . 1 . 2]" 1
1522 1 30 GLY HA2 1 95 ALA H 4.650 . 4.650 4.855 4.826 4.891 0.241 10 0 "[ . 1 . 2]" 1
1523 1 26 LYS HA 1 30 GLY HA2 4.770 . 4.770 2.298 2.207 2.539 . 0 0 "[ . 1 . 2]" 1
1524 1 66 ASP HB3 1 101 LEU HB3 5.370 . 5.370 2.323 1.833 3.650 . 0 0 "[ . 1 . 2]" 1
1525 1 32 GLY HA2 1 54 GLY HA3 4.530 . 4.530 3.266 2.789 3.998 . 0 0 "[ . 1 . 2]" 1
1526 1 26 LYS HG2 1 94 GLY QA 4.310 . 4.310 4.358 4.317 4.387 0.077 15 0 "[ . 1 . 2]" 1
1527 1 101 LEU HB3 1 102 CYS H 5.240 . 5.240 2.627 2.335 3.405 . 0 0 "[ . 1 . 2]" 1
1528 1 46 GLN HE21 1 65 GLY HA3 4.240 . 4.240 3.783 3.077 4.253 0.013 13 0 "[ . 1 . 2]" 1
1529 1 17 GLY HA3 1 18 LYS HA 4.810 . 4.810 4.449 4.261 4.584 . 0 0 "[ . 1 . 2]" 1
1530 1 17 GLY HA3 1 18 LYS QB 4.830 . 4.830 4.608 3.949 4.835 0.005 12 0 "[ . 1 . 2]" 1
1531 1 17 GLY HA2 1 67 VAL MG1 5.350 . 5.350 5.475 5.421 5.567 0.217 2 0 "[ . 1 . 2]" 1
1532 1 17 GLY HA2 1 18 LYS QB 4.490 . 4.490 4.156 3.878 4.311 . 0 0 "[ . 1 . 2]" 1
1533 1 65 GLY HA2 1 107 LEU H 5.020 . 5.020 4.519 4.037 4.974 . 0 0 "[ . 1 . 2]" 1
1534 1 65 GLY HA2 1 107 LEU HA 4.890 . 4.890 2.619 2.246 2.979 . 0 0 "[ . 1 . 2]" 1
1535 1 64 THR HB 1 65 GLY HA2 5.320 . 5.320 4.777 4.658 4.921 . 0 0 "[ . 1 . 2]" 1
1536 1 46 GLN HE22 1 65 GLY HA2 5.100 . 5.100 3.827 3.629 3.995 . 0 0 "[ . 1 . 2]" 1
1537 1 64 THR HA 1 65 GLY HA2 5.170 . 5.170 4.311 4.244 4.364 . 0 0 "[ . 1 . 2]" 1
1538 1 65 GLY HA2 1 107 LEU MD2 4.530 . 4.530 2.515 2.163 3.500 . 0 0 "[ . 1 . 2]" 1
1539 1 50 LEU HB2 1 51 VAL HB 4.670 . 4.670 4.579 4.270 4.735 0.065 14 0 "[ . 1 . 2]" 1
1540 1 37 GLY HA3 1 46 GLN H 4.720 . 4.720 3.375 3.119 3.586 . 0 0 "[ . 1 . 2]" 1
1541 1 37 GLY HA2 1 39 ASP H 4.870 . 4.870 3.763 3.476 4.099 . 0 0 "[ . 1 . 2]" 1
1542 1 37 GLY HA2 1 45 LEU MD1 5.300 . 5.300 5.216 4.853 5.475 0.175 7 0 "[ . 1 . 2]" 1
1543 1 36 VAL MG2 1 37 GLY HA2 5.200 . 5.200 2.949 2.806 3.095 . 0 0 "[ . 1 . 2]" 1
1544 1 36 VAL HA 1 37 GLY HA2 4.790 . 4.790 4.473 4.335 4.616 . 0 0 "[ . 1 . 2]" 1
1545 1 36 VAL HB 1 37 GLY HA2 5.500 . 5.500 5.564 5.500 5.594 0.094 2 0 "[ . 1 . 2]" 1
1546 1 10 ARG H 1 10 ARG QD 4.240 . 4.240 4.358 4.263 4.404 0.164 16 0 "[ . 1 . 2]" 1
1547 1 10 ARG HA 1 10 ARG QD 4.220 . 4.220 3.896 3.422 4.247 0.027 8 0 "[ . 1 . 2]" 1
1548 1 10 ARG HB2 1 10 ARG QD 3.400 . 3.400 2.827 2.446 3.304 . 0 0 "[ . 1 . 2]" 1
1549 1 66 ASP HA 1 103 ARG HD2 5.150 . 5.150 4.951 3.102 5.478 0.328 17 0 "[ . 1 . 2]" 1
1550 1 29 ARG HB2 1 29 ARG QD 3.460 . 3.460 3.127 2.096 3.490 0.030 6 0 "[ . 1 . 2]" 1
1551 1 72 ASN HA 1 98 ASP QB 3.600 . 3.600 3.215 2.454 3.548 . 0 0 "[ . 1 . 2]" 1
1552 1 23 LYS HB3 1 98 ASP QB 4.800 . 4.800 4.852 4.410 4.950 0.150 5 0 "[ . 1 . 2]" 1
1553 1 71 VAL QG 1 98 ASP QB 5.250 . 5.250 5.131 4.887 5.296 0.046 9 0 "[ . 1 . 2]" 1
1554 1 45 LEU HB2 1 68 ILE HB 4.930 . 4.930 2.184 1.996 2.333 . 0 0 "[ . 1 . 2]" 1
1555 1 14 GLU H 1 15 LEU HB2 5.330 . 5.330 4.593 4.080 5.148 . 0 0 "[ . 1 . 2]" 1
1556 1 35 VAL QG 1 45 LEU HB2 4.900 . 4.900 3.723 3.441 3.978 . 0 0 "[ . 1 . 2]" 1
1557 1 45 LEU HB3 1 68 ILE HB 4.760 . 4.760 1.943 1.881 2.009 . 0 0 "[ . 1 . 2]" 1
1558 1 5 LYS HA 1 5 LYS HE2 4.850 . 4.850 4.154 2.707 4.963 0.113 5 0 "[ . 1 . 2]" 1
1559 1 5 LYS HE2 1 5 LYS HG3 4.180 . 4.180 3.265 2.444 4.220 0.040 13 0 "[ . 1 . 2]" 1
1560 1 26 LYS QE 1 93 ILE HG13 4.590 . 4.590 3.941 3.771 4.114 . 0 0 "[ . 1 . 2]" 1
1561 1 15 LEU HB3 1 16 LYS H 4.990 . 4.990 3.257 1.811 4.034 . 0 0 "[ . 1 . 2]" 1
1562 1 5 LYS HE2 1 5 LYS HG2 3.970 . 3.970 3.105 2.165 3.851 . 0 0 "[ . 1 . 2]" 1
1563 1 18 LYS QE 1 103 ARG QH2 4.260 . 4.260 4.333 4.081 4.498 0.238 8 0 "[ . 1 . 2]" 1
1564 1 109 PHE HA 1 110 ASP HB2 4.710 . 4.710 4.848 4.393 5.051 0.341 2 0 "[ . 1 . 2]" 1
1565 1 110 ASP HB2 1 111 PRO HD2 4.880 . 4.880 4.276 4.089 4.468 . 0 0 "[ . 1 . 2]" 1
1566 1 110 ASP HB2 1 111 PRO HD3 5.100 . 5.100 4.407 4.067 4.722 . 0 0 "[ . 1 . 2]" 1
1567 1 26 LYS QE 1 27 SER H 5.500 . 5.500 5.477 5.371 5.531 0.031 5 0 "[ . 1 . 2]" 1
1568 1 26 LYS QE 1 93 ILE HB 4.590 . 4.590 4.283 4.136 4.608 0.018 15 0 "[ . 1 . 2]" 1
1569 1 26 LYS QE 1 93 ILE HA 4.660 . 4.660 2.633 2.454 2.866 . 0 0 "[ . 1 . 2]" 1
1570 1 26 LYS QE 1 95 ALA MB 5.170 . 5.170 4.531 4.441 4.603 . 0 0 "[ . 1 . 2]" 1
1571 1 26 LYS QE 1 30 GLY HA3 5.270 . 5.270 2.733 2.331 2.871 . 0 0 "[ . 1 . 2]" 1
1572 1 26 LYS QE 1 91 ILE HB 5.440 . 5.440 5.179 4.887 5.292 . 0 0 "[ . 1 . 2]" 1
1573 1 125 LEU H 1 125 LEU HB3 3.630 . 3.630 3.647 3.555 3.704 0.074 8 0 "[ . 1 . 2]" 1
1574 1 118 LEU H 1 118 LEU QB 3.170 . 3.170 2.577 2.035 3.241 0.071 10 0 "[ . 1 . 2]" 1
1575 1 125 LEU HB3 1 125 LEU MD1 3.260 . 3.260 2.396 2.356 2.458 . 0 0 "[ . 1 . 2]" 1
1576 1 86 LYS QE 1 86 LYS HG3 3.050 . 3.050 2.894 2.578 3.119 0.069 6 0 "[ . 1 . 2]" 1
1577 1 24 LEU MD2 1 33 PHE HB3 4.210 . 4.210 4.049 3.713 4.237 0.027 14 0 "[ . 1 . 2]" 1
1578 1 18 LYS QE 1 20 ILE HG12 3.200 . 3.200 2.108 1.778 3.333 0.133 1 0 "[ . 1 . 2]" 1
1579 1 33 PHE HB3 1 47 ILE MG 3.960 . 3.960 2.849 2.703 3.031 . 0 0 "[ . 1 . 2]" 1
1580 1 24 LEU MD2 1 33 PHE HB2 5.500 . 5.500 5.372 5.097 5.529 0.029 18 0 "[ . 1 . 2]" 1
1581 1 113 ASP HB2 1 115 ASN H 5.330 . 5.330 4.738 3.879 5.060 . 0 0 "[ . 1 . 2]" 1
1582 1 8 PHE HB2 1 9 THR H 4.660 . 4.660 4.368 4.251 4.452 . 0 0 "[ . 1 . 2]" 1
1583 1 113 ASP HB3 1 114 PRO QD 3.940 . 3.940 3.806 2.613 4.013 0.073 13 0 "[ . 1 . 2]" 1
1584 1 8 PHE HB3 1 9 THR H 4.880 . 4.880 3.914 3.687 4.110 . 0 0 "[ . 1 . 2]" 1
1585 1 107 LEU HB2 1 108 PRO HD2 4.990 . 4.990 4.522 4.258 4.838 . 0 0 "[ . 1 . 2]" 1
1586 1 107 LEU HB2 1 108 PRO HD3 4.790 . 4.790 4.635 4.493 4.741 . 0 0 "[ . 1 . 2]" 1
1587 1 23 LYS QE 1 97 VAL H 4.860 . 4.860 4.525 3.924 4.957 0.097 8 0 "[ . 1 . 2]" 1
1588 1 23 LYS QE 1 24 LEU H 5.000 . 5.000 4.989 4.526 5.126 0.126 8 0 "[ . 1 . 2]" 1
1589 1 52 LEU H 1 52 LEU HB2 3.520 . 3.520 2.695 1.766 3.601 0.081 7 0 "[ . 1 . 2]" 1
1590 1 52 LEU HB2 1 53 ASP H 4.120 . 4.120 3.591 2.843 4.184 0.064 7 0 "[ . 1 . 2]" 1
1591 1 52 LEU HB2 1 52 LEU MD1 3.290 . 3.290 2.076 1.898 2.279 . 0 0 "[ . 1 . 2]" 1
1592 1 52 LEU HB3 1 53 ASP H 4.160 . 4.160 3.846 3.006 4.163 0.003 7 0 "[ . 1 . 2]" 1
1593 1 52 LEU HB3 1 52 LEU MD1 3.330 . 3.330 2.610 2.210 3.187 . 0 0 "[ . 1 . 2]" 1
1594 1 24 LEU HG 1 31 PHE HB2 4.440 . 4.440 4.503 4.464 4.528 0.088 17 0 "[ . 1 . 2]" 1
1595 1 112 ASP HA 1 112 ASP HB2 2.930 . 2.930 2.451 2.352 2.748 . 0 0 "[ . 1 . 2]" 1
1596 1 112 ASP H 1 112 ASP HB2 3.300 . 3.300 2.834 2.289 3.489 0.189 18 0 "[ . 1 . 2]" 1
1597 1 126 ASP H 1 126 ASP HB2 3.930 . 3.930 2.979 2.438 3.487 . 0 0 "[ . 1 . 2]" 1
1598 1 124 ILE MG 1 126 ASP HB2 5.500 . 5.500 4.036 2.118 5.601 0.101 2 0 "[ . 1 . 2]" 1
1599 1 66 ASP HB3 1 101 LEU HB2 4.410 . 4.410 3.589 1.977 4.524 0.114 20 0 "[ . 1 . 2]" 1
1600 1 66 ASP HB2 1 101 LEU HB2 4.490 . 4.490 4.268 3.119 4.604 0.114 19 0 "[ . 1 . 2]" 1
1601 1 10 ARG HA 1 77 LEU HB2 4.790 . 4.790 4.375 4.302 4.457 . 0 0 "[ . 1 . 2]" 1
1602 1 73 ASP H 1 73 ASP HB2 3.940 . 3.940 3.368 2.962 3.975 0.035 12 0 "[ . 1 . 2]" 1
1603 1 11 ASN HB3 1 12 PRO QD . . 4.850 4.094 3.470 4.341 . 0 0 "[ . 1 . 2]" 1
1604 1 7 PHE HB3 1 15 LEU QD 5.050 . 5.050 3.527 2.954 4.524 . 0 0 "[ . 1 . 2]" 1
1605 1 11 ASN HB2 1 12 PRO QD 5.200 . 5.200 3.909 3.660 4.271 . 0 0 "[ . 1 . 2]" 1
1606 1 9 THR MG 1 11 ASN HB2 4.880 . 4.880 4.261 2.688 4.824 . 0 0 "[ . 1 . 2]" 1
1607 1 53 ASP HB3 1 58 LEU MD1 4.760 . 4.760 4.328 3.946 4.629 . 0 0 "[ . 1 . 2]" 1
1608 1 53 ASP HB3 1 54 GLY H 4.970 . 4.970 3.401 2.564 4.081 . 0 0 "[ . 1 . 2]" 1
1609 1 9 THR MG 1 11 ASN HB3 4.730 . 4.730 3.281 2.994 3.815 . 0 0 "[ . 1 . 2]" 1
1610 1 7 PHE HB2 1 8 PHE H 4.290 . 4.290 4.310 4.276 4.340 0.050 4 0 "[ . 1 . 2]" 1
1611 1 6 PRO HA 1 7 PHE HB2 4.940 . 4.940 4.691 4.542 4.883 . 0 0 "[ . 1 . 2]" 1
1612 1 53 ASP HB2 1 54 GLY H 5.160 . 5.160 3.525 3.271 3.774 . 0 0 "[ . 1 . 2]" 1
1613 1 53 ASP HB3 1 58 LEU MD2 5.030 . 5.030 5.055 4.668 5.118 0.088 20 0 "[ . 1 . 2]" 1
1614 1 53 ASP HB3 1 57 ALA MB 5.500 . 5.500 5.600 5.509 5.670 0.170 9 0 "[ . 1 . 2]" 1
1615 1 91 ILE HB 1 92 PRO HD3 5.380 . 5.380 4.320 4.259 4.381 . 0 0 "[ . 1 . 2]" 1
1616 1 88 PHE HA 1 91 ILE HB 5.320 . 5.320 2.496 2.382 2.654 . 0 0 "[ . 1 . 2]" 1
1617 1 115 ASN HB2 1 116 THR MG 4.860 . 4.860 3.498 2.490 4.974 0.114 19 0 "[ . 1 . 2]" 1
1618 1 42 ASP HB3 1 43 GLU H 4.870 . 4.870 3.423 3.163 3.988 . 0 0 "[ . 1 . 2]" 1
1619 1 41 PRO HA 1 42 ASP HB2 5.430 . 5.430 4.864 4.598 5.175 . 0 0 "[ . 1 . 2]" 1
1620 1 46 GLN HG2 1 67 VAL HB 5.360 . 5.360 1.890 1.795 2.007 0.005 1 0 "[ . 1 . 2]" 1
1621 1 88 PHE QB 1 91 ILE H 5.260 . 5.260 4.704 4.514 4.878 . 0 0 "[ . 1 . 2]" 1
1622 1 85 VAL QG 1 88 PHE QB 5.500 . 5.500 3.351 3.113 3.522 . 0 0 "[ . 1 . 2]" 1
1623 1 67 VAL HA 1 68 ILE HB 4.780 . 4.780 4.483 4.313 4.716 . 0 0 "[ . 1 . 2]" 1
1624 1 92 PRO HA 1 93 ILE HB 4.830 . 4.830 4.683 4.604 4.764 . 0 0 "[ . 1 . 2]" 1
1625 1 14 GLU HG2 1 15 LEU H 4.710 . 4.710 4.377 4.257 4.536 . 0 0 "[ . 1 . 2]" 1
1626 1 14 GLU HA 1 14 GLU HG2 3.880 . 3.880 2.916 2.687 3.108 . 0 0 "[ . 1 . 2]" 1
1627 1 13 SER QB 1 14 GLU HG2 5.500 . 5.500 3.029 2.890 3.257 . 0 0 "[ . 1 . 2]" 1
1628 1 9 THR MG 1 14 GLU HG2 4.740 . 4.740 4.184 4.018 4.427 . 0 0 "[ . 1 . 2]" 1
1629 1 14 GLU HG3 1 15 LEU H 5.380 . 5.380 5.159 4.953 5.274 . 0 0 "[ . 1 . 2]" 1
1630 1 9 THR MG 1 14 GLU HG3 4.990 . 4.990 3.714 3.299 3.998 . 0 0 "[ . 1 . 2]" 1
1631 1 13 SER H 1 14 GLU HG3 5.460 . 5.460 5.458 5.303 5.511 0.051 10 0 "[ . 1 . 2]" 1
1632 1 44 PHE QD 1 105 TYR HB2 5.120 . 5.120 4.359 3.926 4.705 . 0 0 "[ . 1 . 2]" 1
1633 1 44 PHE QD 1 105 TYR HB3 5.310 . 5.310 4.446 3.669 4.820 . 0 0 "[ . 1 . 2]" 1
1634 1 72 ASN HB2 1 73 ASP H 4.320 . 4.320 3.571 1.982 4.248 . 0 0 "[ . 1 . 2]" 1
1635 1 128 GLU HB2 1 128 GLU QG 2.640 . 2.640 2.316 2.126 2.386 . 0 0 "[ . 1 . 2]" 1
1636 1 128 GLU QG 1 129 PRO HG3 4.010 . 4.010 4.019 3.918 4.124 0.114 12 0 "[ . 1 . 2]" 1
1637 1 21 HIS HA 1 100 GLU QG . . 5.260 3.988 2.920 5.025 . 0 0 "[ . 1 . 2]" 1
1638 1 69 VAL QG 1 100 GLU QG . . 5.280 2.977 2.449 4.256 . 0 0 "[ . 1 . 2]" 1
1639 1 100 GLU H 1 100 GLU QG 4.660 . 4.660 3.968 2.744 4.116 . 0 0 "[ . 1 . 2]" 1
1640 1 70 SER HB3 1 100 GLU QG 5.440 . 5.440 4.942 3.394 5.468 0.028 8 0 "[ . 1 . 2]" 1
1641 1 61 LYS H 1 62 MET HB3 5.270 . 5.270 4.661 4.111 5.396 0.126 14 0 "[ . 1 . 2]" 1
1642 1 43 GLU H 1 43 GLU HG2 4.830 . 4.830 3.431 2.744 4.063 . 0 0 "[ . 1 . 2]" 1
1643 1 40 GLU HA 1 40 GLU HG3 3.600 . 3.600 3.678 3.660 3.700 0.100 9 0 "[ . 1 . 2]" 1
1644 1 39 ASP H 1 40 GLU HG3 4.650 . 4.650 4.752 4.701 4.785 0.135 15 0 "[ . 1 . 2]" 1
1645 1 40 GLU HG3 1 43 GLU HA 4.850 . 4.850 4.206 3.933 4.400 . 0 0 "[ . 1 . 2]" 1
1646 1 88 PHE QE 1 97 VAL HB 5.350 . 5.350 3.824 3.640 4.006 . 0 0 "[ . 1 . 2]" 1
1647 1 91 ILE MD 1 97 VAL HB 3.910 . 3.910 3.976 3.943 4.014 0.104 7 0 "[ . 1 . 2]" 1
1648 1 50 LEU MD2 1 62 MET HB2 4.110 . 4.110 3.522 2.296 4.101 . 0 0 "[ . 1 . 2]" 1
1649 1 62 MET HB3 1 62 MET ME 4.710 . 4.710 3.378 2.033 4.262 . 0 0 "[ . 1 . 2]" 1
1650 1 50 LEU MD2 1 62 MET HB3 4.110 . 4.110 2.529 1.785 4.063 0.015 18 0 "[ . 1 . 2]" 1
1651 1 62 MET H 1 62 MET HB3 3.930 . 3.930 2.674 2.271 3.536 . 0 0 "[ . 1 . 2]" 1
1652 1 47 ILE MD 1 62 MET HB3 5.500 . 5.500 4.584 3.598 5.388 . 0 0 "[ . 1 . 2]" 1
1653 1 40 GLU H 1 40 GLU HG2 3.870 . 3.870 2.853 2.640 3.047 . 0 0 "[ . 1 . 2]" 1
1654 1 39 ASP QB 1 40 GLU HG2 4.520 . 4.520 2.418 1.986 2.945 . 0 0 "[ . 1 . 2]" 1
1655 1 36 VAL HB 1 48 LYS H 5.050 . 5.050 4.650 4.400 5.071 0.021 17 0 "[ . 1 . 2]" 1
1656 1 40 GLU HG3 1 42 ASP H 5.150 . 5.150 3.043 2.844 3.265 . 0 0 "[ . 1 . 2]" 1
1657 1 40 GLU H 1 40 GLU HG3 3.920 . 3.920 2.916 2.846 2.983 . 0 0 "[ . 1 . 2]" 1
1658 1 40 GLU HG3 1 41 PRO QD 4.100 . 4.100 4.022 3.947 4.085 . 0 0 "[ . 1 . 2]" 1
1659 1 39 ASP QB 1 40 GLU HG3 4.430 . 4.430 3.766 3.299 4.172 . 0 0 "[ . 1 . 2]" 1
1660 1 35 VAL HB 1 48 LYS H 5.060 . 5.060 4.402 3.678 5.148 0.088 6 0 "[ . 1 . 2]" 1
1661 1 34 THR HA 1 35 VAL HB 5.420 . 5.420 4.946 4.191 5.567 0.147 1 0 "[ . 1 . 2]" 1
1662 1 23 LYS HB2 1 96 SER QB 5.070 . 5.070 4.385 4.114 5.098 0.028 4 0 "[ . 1 . 2]" 1
1663 1 46 GLN HA 1 47 ILE HB 5.170 . 5.170 4.954 4.861 5.049 . 0 0 "[ . 1 . 2]" 1
1664 1 23 LYS HB2 1 24 LEU H 4.000 . 4.000 3.992 3.840 4.090 0.090 6 0 "[ . 1 . 2]" 1
1665 1 83 GLN H 1 83 GLN HG2 4.280 . 4.280 2.706 2.504 4.174 . 0 0 "[ . 1 . 2]" 1
1666 1 80 THR H 1 83 GLN HG2 4.700 . 4.700 4.298 3.798 4.610 . 0 0 "[ . 1 . 2]" 1
1667 1 82 ALA MB 1 83 GLN HG2 5.500 . 5.500 3.508 3.227 5.360 . 0 0 "[ . 1 . 2]" 1
1668 1 83 GLN HG2 1 84 VAL H 5.500 . 5.500 4.635 4.473 5.172 . 0 0 "[ . 1 . 2]" 1
1669 1 18 LYS QB 1 20 ILE MD 4.250 . 4.250 2.686 2.160 3.961 . 0 0 "[ . 1 . 2]" 1
1670 1 83 GLN HA 1 83 GLN HG2 3.950 . 3.950 2.816 2.573 3.568 . 0 0 "[ . 1 . 2]" 1
1671 1 83 GLN HG3 1 84 VAL H 5.500 . 5.500 4.980 4.855 5.156 . 0 0 "[ . 1 . 2]" 1
1672 1 82 ALA MB 1 83 GLN HG3 5.500 . 5.500 4.901 4.723 5.115 . 0 0 "[ . 1 . 2]" 1
1673 1 89 GLN H 1 89 GLN HG2 3.640 . 3.640 3.017 2.388 3.686 0.046 14 0 "[ . 1 . 2]" 1
1674 1 89 GLN HA 1 89 GLN HG2 3.550 . 3.550 2.606 2.269 3.087 . 0 0 "[ . 1 . 2]" 1
1675 1 89 GLN H 1 89 GLN HG3 3.670 . 3.670 3.168 2.380 3.763 0.093 9 0 "[ . 1 . 2]" 1
1676 1 85 VAL QG 1 89 GLN HG3 4.120 . 4.120 2.642 2.194 3.044 . 0 0 "[ . 1 . 2]" 1
1677 1 89 GLN HG2 1 90 SER H 4.910 . 4.910 4.739 4.428 4.962 0.052 16 0 "[ . 1 . 2]" 1
1678 1 40 GLU HA 1 43 GLU HB2 4.650 . 4.650 4.734 4.659 4.835 0.185 9 0 "[ . 1 . 2]" 1
1679 1 35 VAL H 1 48 LYS HB3 4.870 . 4.870 4.059 3.605 4.621 . 0 0 "[ . 1 . 2]" 1
1680 1 62 MET HA 1 63 GLU HB2 5.160 . 5.160 4.358 4.043 4.659 . 0 0 "[ . 1 . 2]" 1
1681 1 61 LYS HB3 1 62 MET HA 5.040 . 5.040 4.097 3.745 4.484 . 0 0 "[ . 1 . 2]" 1
1682 1 35 VAL HA 1 48 LYS HB2 5.370 . 5.370 3.270 2.714 3.902 . 0 0 "[ . 1 . 2]" 1
1683 1 36 VAL MG2 1 48 LYS HB2 4.970 . 4.970 4.051 3.807 4.403 . 0 0 "[ . 1 . 2]" 1
1684 1 34 THR HB 1 48 LYS HB3 4.290 . 4.290 2.790 2.496 3.226 . 0 0 "[ . 1 . 2]" 1
1685 1 20 ILE MG 1 61 LYS HB3 4.800 . 4.800 3.290 2.628 4.251 . 0 0 "[ . 1 . 2]" 1
1686 1 18 LYS H 1 103 ARG QB 4.620 . 4.620 3.585 2.858 4.385 . 0 0 "[ . 1 . 2]" 1
1687 1 119 VAL H 1 119 VAL HB 3.630 . 3.630 3.380 2.713 3.820 0.190 8 0 "[ . 1 . 2]" 1
1688 1 50 LEU HA 1 51 VAL HB 4.580 . 4.580 4.624 4.579 4.670 0.090 10 0 "[ . 1 . 2]" 1
1689 1 24 LEU MD2 1 55 PRO HB2 4.890 . 4.890 2.734 2.606 2.877 . 0 0 "[ . 1 . 2]" 1
1690 1 55 PRO HB2 1 58 LEU MD2 5.500 . 5.500 5.090 4.535 5.478 . 0 0 "[ . 1 . 2]" 1
1691 1 6 PRO HB2 1 7 PHE H 3.660 . 3.660 2.238 1.966 2.678 . 0 0 "[ . 1 . 2]" 1
1692 1 114 PRO HB2 1 120 THR HB 4.340 . 4.340 2.627 2.212 3.338 . 0 0 "[ . 1 . 2]" 1
1693 1 92 PRO HB2 1 93 ILE HG12 5.140 . 5.140 5.204 5.184 5.221 0.081 11 0 "[ . 1 . 2]" 1
1694 1 108 PRO HB3 1 109 PHE QB 4.650 . 4.650 4.395 4.067 4.714 0.064 10 0 "[ . 1 . 2]" 1
1695 1 91 ILE HA 1 92 PRO HB3 4.860 . 4.860 4.856 4.770 4.893 0.033 15 0 "[ . 1 . 2]" 1
1696 1 31 PHE HA 1 55 PRO HB2 5.200 . 5.200 4.712 4.267 4.958 . 0 0 "[ . 1 . 2]" 1
1697 1 114 PRO HB2 1 115 ASN HA 5.500 . 5.500 3.282 2.335 3.768 . 0 0 "[ . 1 . 2]" 1
1698 1 92 PRO HB2 1 95 ALA MB 4.230 . 4.230 3.762 3.513 3.974 . 0 0 "[ . 1 . 2]" 1
1699 1 40 GLU HA 1 41 PRO HB2 5.500 . 5.500 5.595 5.568 5.625 0.125 5 0 "[ . 1 . 2]" 1
1700 1 12 PRO HB3 1 69 VAL QG 4.960 . 4.960 1.893 1.788 2.052 0.012 2 0 "[ . 1 . 2]" 1
1701 1 109 PHE QE 1 111 PRO HB3 5.300 . 5.300 1.933 1.810 2.020 . 0 0 "[ . 1 . 2]" 1
1702 1 114 PRO HB3 1 120 THR HB 4.260 . 4.260 4.271 3.934 4.488 0.228 4 0 "[ . 1 . 2]" 1
1703 1 36 VAL MG1 1 108 PRO HB2 5.500 . 5.500 3.247 2.220 4.946 . 0 0 "[ . 1 . 2]" 1
1704 1 41 PRO HB2 1 42 ASP H 4.400 . 4.400 4.201 4.165 4.235 . 0 0 "[ . 1 . 2]" 1
1705 1 114 PRO HB3 1 115 ASN HA 5.040 . 5.040 4.872 3.974 5.114 0.074 14 0 "[ . 1 . 2]" 1
1706 1 86 LYS H 1 86 LYS HB2 3.120 . 3.120 2.981 2.865 3.148 0.028 18 0 "[ . 1 . 2]" 1
1707 1 21 HIS HB2 1 101 LEU H 5.300 . 5.300 5.118 4.766 5.416 0.116 12 0 "[ . 1 . 2]" 1
1708 1 21 HIS HB2 1 22 THR H 4.440 . 4.440 4.381 4.108 4.490 0.050 20 0 "[ . 1 . 2]" 1
1709 1 84 VAL HB 1 85 VAL H 4.210 . 4.210 3.815 3.678 3.868 . 0 0 "[ . 1 . 2]" 1
1710 1 84 VAL H 1 84 VAL HB 3.530 . 3.530 3.609 3.599 3.627 0.097 15 0 "[ . 1 . 2]" 1
1711 1 79 HIS HB2 1 84 VAL MG1 4.640 . 4.640 2.831 2.479 3.021 . 0 0 "[ . 1 . 2]" 1
1712 1 21 HIS HB2 1 100 GLU HA 5.200 . 5.200 4.252 3.694 4.764 . 0 0 "[ . 1 . 2]" 1
1713 1 76 VAL HA 1 79 HIS HB3 5.150 . 5.150 3.526 3.459 3.600 . 0 0 "[ . 1 . 2]" 1
1714 1 76 VAL HB 1 79 HIS HB3 5.130 . 5.130 4.259 2.794 5.132 0.002 20 0 "[ . 1 . 2]" 1
1715 1 79 HIS HB3 1 83 GLN HB3 4.560 . 4.560 3.193 2.982 3.468 . 0 0 "[ . 1 . 2]" 1
1716 1 84 VAL H 1 85 VAL HB 5.010 . 5.010 4.961 4.885 5.017 0.007 5 0 "[ . 1 . 2]" 1
1717 1 79 HIS HB3 1 84 VAL HB 4.940 . 4.940 4.964 4.702 5.018 0.078 1 0 "[ . 1 . 2]" 1
1718 1 24 LEU HA 1 25 ARG HB2 4.620 . 4.620 4.510 4.324 4.638 0.018 2 0 "[ . 1 . 2]" 1
1719 1 25 ARG HB2 1 25 ARG QD 3.650 . 3.650 2.527 2.310 2.935 . 0 0 "[ . 1 . 2]" 1
1720 1 24 LEU HA 1 25 ARG HB3 5.170 . 5.170 4.407 4.219 4.529 . 0 0 "[ . 1 . 2]" 1
1721 1 10 ARG HB3 1 11 ASN H 4.820 . 4.820 4.332 4.053 4.517 . 0 0 "[ . 1 . 2]" 1
1722 1 10 ARG H 1 10 ARG HB3 4.080 . 4.080 3.851 3.793 3.972 . 0 0 "[ . 1 . 2]" 1
1723 1 10 ARG HB3 1 10 ARG QD 3.900 . 3.900 2.385 2.162 2.763 . 0 0 "[ . 1 . 2]" 1
1724 1 39 ASP H 1 40 GLU HB3 5.500 . 5.500 5.442 5.290 5.533 0.033 5 0 "[ . 1 . 2]" 1
1725 1 50 LEU MD2 1 62 MET QG 3.520 . 3.520 2.326 1.911 3.435 . 0 0 "[ . 1 . 2]" 1
1726 1 47 ILE MD 1 62 MET QG 4.850 . 4.850 2.788 2.386 4.346 . 0 0 "[ . 1 . 2]" 1
1727 1 40 GLU HB2 1 42 ASP H 4.710 . 4.710 3.959 3.717 4.084 . 0 0 "[ . 1 . 2]" 1
1728 1 40 GLU HB3 1 42 ASP H 5.350 . 5.350 5.105 4.936 5.213 . 0 0 "[ . 1 . 2]" 1
1729 1 39 ASP QB 1 40 GLU HB3 5.400 . 5.400 3.658 3.249 3.928 . 0 0 "[ . 1 . 2]" 1
1730 1 14 GLU HB2 1 15 LEU H 5.030 . 5.030 2.980 2.638 3.206 . 0 0 "[ . 1 . 2]" 1
1731 1 11 ASN HB2 1 14 GLU HB3 5.320 . 5.320 5.256 3.782 5.387 0.067 10 0 "[ . 1 . 2]" 1
1732 1 76 VAL HB 1 84 VAL MG1 4.180 . 4.180 3.151 1.832 4.117 . 0 0 "[ . 1 . 2]" 1
1733 1 23 LYS HA 1 23 LYS QD 4.850 . 4.850 4.124 3.553 4.347 . 0 0 "[ . 1 . 2]" 1
1734 1 83 GLN HB3 1 84 VAL MG1 5.010 . 5.010 3.821 3.411 4.007 . 0 0 "[ . 1 . 2]" 1
1735 1 83 GLN HB2 1 84 VAL MG1 5.440 . 5.440 3.335 3.135 3.574 . 0 0 "[ . 1 . 2]" 1
1736 1 18 LYS QD 1 19 PHE H 4.570 . 4.570 3.334 1.814 4.611 0.041 2 0 "[ . 1 . 2]" 1
1737 1 26 LYS HA 1 26 LYS QD 4.430 . 4.430 3.906 3.842 3.946 . 0 0 "[ . 1 . 2]" 1
1738 1 26 LYS QD 1 91 ILE HB 5.150 . 5.150 3.492 3.254 3.622 . 0 0 "[ . 1 . 2]" 1
1739 1 80 THR HA 1 81 HIS HB2 5.460 . 5.460 4.392 4.289 4.487 . 0 0 "[ . 1 . 2]" 1
1740 1 84 VAL H 1 86 LYS QD 4.900 . 4.900 4.854 4.673 4.952 0.052 15 0 "[ . 1 . 2]" 1
1741 1 83 GLN HA 1 86 LYS QD 4.270 . 4.270 2.495 2.182 2.824 . 0 0 "[ . 1 . 2]" 1
1742 1 86 LYS QD 1 86 LYS HG3 2.540 . 2.540 2.295 2.213 2.349 . 0 0 "[ . 1 . 2]" 1
1743 1 26 LYS QD 1 91 ILE H 5.500 . 5.500 4.697 4.483 4.911 . 0 0 "[ . 1 . 2]" 1
1744 1 81 HIS HB2 1 82 ALA MB 5.500 . 5.500 5.049 4.851 5.238 . 0 0 "[ . 1 . 2]" 1
1745 1 86 LYS HB2 1 86 LYS QD 3.200 . 3.200 3.220 3.197 3.232 0.032 5 0 "[ . 1 . 2]" 1
1746 1 85 VAL QG 1 89 GLN HB2 5.320 . 5.320 3.780 3.545 4.004 . 0 0 "[ . 1 . 2]" 1
1747 1 88 PHE H 1 89 GLN HB2 5.120 . 5.120 4.199 4.078 4.290 . 0 0 "[ . 1 . 2]" 1
1748 1 67 VAL H 1 102 CYS QB 5.230 . 5.230 3.262 2.905 3.599 . 0 0 "[ . 1 . 2]" 1
1749 1 16 LYS HA 1 16 LYS QD 3.740 . 3.740 3.826 3.753 3.865 0.125 9 0 "[ . 1 . 2]" 1
1750 1 93 ILE H 1 93 ILE HG13 3.900 . 3.900 3.738 3.679 3.772 . 0 0 "[ . 1 . 2]" 1
1751 1 28 SER HA 1 93 ILE HG13 5.490 . 5.490 4.603 4.002 5.378 . 0 0 "[ . 1 . 2]" 1
1752 1 55 PRO HG2 1 56 ALA H 5.040 . 5.040 2.695 2.568 2.884 . 0 0 "[ . 1 . 2]" 1
1753 1 54 GLY HA3 1 55 PRO HG3 5.040 . 5.040 4.886 4.708 4.996 . 0 0 "[ . 1 . 2]" 1
1754 1 85 VAL QG 1 89 GLN HB3 5.160 . 5.160 4.597 4.361 4.751 . 0 0 "[ . 1 . 2]" 1
1755 1 4 GLY QA 1 5 LYS QD 5.500 . 5.500 4.909 2.858 5.602 0.102 17 0 "[ . 1 . 2]" 1
1756 1 9 THR HA 1 10 ARG HG2 3.960 . 3.960 4.036 3.900 4.107 0.147 3 0 "[ . 1 . 2]" 1
1757 1 10 ARG H 1 10 ARG HG2 4.170 . 4.170 2.582 2.405 2.776 . 0 0 "[ . 1 . 2]" 1
1758 1 16 LYS QD 1 17 GLY H 4.860 . 4.860 4.256 3.920 4.891 0.031 9 0 "[ . 1 . 2]" 1
1759 1 20 ILE H 1 20 ILE HG13 4.780 . 4.780 2.423 2.040 3.378 . 0 0 "[ . 1 . 2]" 1
1760 1 20 ILE HG13 1 21 HIS H 5.150 . 5.150 4.811 4.242 5.177 0.027 6 0 "[ . 1 . 2]" 1
1761 1 18 LYS QE 1 20 ILE HG13 5.500 . 5.500 2.353 1.765 4.076 0.035 1 0 "[ . 1 . 2]" 1
1762 1 87 ILE H 1 87 ILE HG13 4.140 . 4.140 3.421 2.297 4.053 . 0 0 "[ . 1 . 2]" 1
1763 1 84 VAL HA 1 87 ILE HG13 5.010 . 5.010 3.836 3.279 4.205 . 0 0 "[ . 1 . 2]" 1
1764 1 12 PRO HG2 1 13 SER H 4.580 . 4.580 3.111 2.591 3.716 . 0 0 "[ . 1 . 2]" 1
1765 1 11 ASN HA 1 12 PRO HG2 4.280 . 4.280 3.960 3.642 4.168 . 0 0 "[ . 1 . 2]" 1
1766 1 12 PRO HG2 1 69 VAL QG 4.450 . 4.450 3.666 3.326 3.969 . 0 0 "[ . 1 . 2]" 1
1767 1 20 ILE HG12 1 21 HIS H 4.720 . 4.720 4.470 4.196 4.809 0.089 19 0 "[ . 1 . 2]" 1
1768 1 15 LEU HG 1 16 LYS H 4.860 . 4.860 3.301 1.932 4.791 . 0 0 "[ . 1 . 2]" 1
1769 1 15 LEU H 1 15 LEU HG 4.620 . 4.620 3.758 2.080 4.646 0.026 9 0 "[ . 1 . 2]" 1
1770 1 6 PRO QG 1 7 PHE H 4.630 . 4.630 3.882 3.494 4.407 . 0 0 "[ . 1 . 2]" 1
1771 1 108 PRO HG2 1 109 PHE H 4.950 . 4.950 3.402 1.946 5.074 0.124 13 0 "[ . 1 . 2]" 1
1772 1 107 LEU MD2 1 108 PRO HG2 4.900 . 4.900 3.899 3.643 4.195 . 0 0 "[ . 1 . 2]" 1
1773 1 107 LEU MD2 1 108 PRO HG3 4.380 . 4.380 4.294 4.051 4.424 0.044 1 0 "[ . 1 . 2]" 1
1774 1 92 PRO QG 1 93 ILE H 4.800 . 4.800 4.499 4.434 4.554 . 0 0 "[ . 1 . 2]" 1
1775 1 41 PRO HG2 1 42 ASP H 4.770 . 4.770 4.596 4.393 4.730 . 0 0 "[ . 1 . 2]" 1
1776 1 40 GLU HA 1 41 PRO HG2 4.750 . 4.750 4.489 4.430 4.563 . 0 0 "[ . 1 . 2]" 1
1777 1 40 GLU HA 1 41 PRO HG3 4.720 . 4.720 4.619 4.558 4.682 . 0 0 "[ . 1 . 2]" 1
1778 1 25 ARG QG 1 96 SER QB 4.820 . 4.820 3.842 2.784 4.823 0.003 19 0 "[ . 1 . 2]" 1
1779 1 106 PRO QG 1 107 LEU H 4.650 . 4.650 4.391 3.827 4.672 0.022 7 0 "[ . 1 . 2]" 1
1780 1 41 PRO HG3 1 42 ASP H 5.500 . 5.500 5.496 5.363 5.546 0.046 4 0 "[ . 1 . 2]" 1
1781 1 107 LEU H 1 107 LEU HG 4.070 . 4.070 3.128 2.622 4.101 0.031 13 0 "[ . 1 . 2]" 1
1782 1 22 THR H 1 101 LEU HG 5.200 . 5.200 4.209 3.288 5.257 0.057 20 0 "[ . 1 . 2]" 1
1783 1 74 THR HA 1 75 CYS HB3 5.260 . 5.260 4.669 4.439 5.390 0.130 5 0 "[ . 1 . 2]" 1
1784 1 105 TYR HA 1 106 PRO QG 4.200 . 4.200 3.860 3.685 3.964 . 0 0 "[ . 1 . 2]" 1
1785 1 58 LEU H 1 58 LEU HG 4.010 . 4.010 4.041 4.002 4.067 0.057 17 0 "[ . 1 . 2]" 1
1786 1 58 LEU HG 1 59 ASP H 5.010 . 5.010 5.005 4.870 5.068 0.058 7 0 "[ . 1 . 2]" 1
1787 1 124 ILE H 1 125 LEU HG 3.900 . 3.900 3.805 3.117 4.028 0.128 16 0 "[ . 1 . 2]" 1
1788 1 29 ARG HA 1 29 ARG HG2 3.600 . 3.600 3.090 2.486 3.726 0.126 5 0 "[ . 1 . 2]" 1
1789 1 125 LEU HA 1 125 LEU HG 3.930 . 3.930 3.151 2.975 3.237 . 0 0 "[ . 1 . 2]" 1
1790 1 111 PRO HG2 1 112 ASP H 4.300 . 4.300 1.876 1.793 2.043 0.007 16 0 "[ . 1 . 2]" 1
1791 1 52 LEU HG 1 53 ASP H 4.870 . 4.870 3.885 2.514 4.887 0.017 20 0 "[ . 1 . 2]" 1
1792 1 24 LEU HG 1 62 MET ME 3.540 . 3.540 2.911 2.617 3.293 . 0 0 "[ . 1 . 2]" 1
1793 1 24 LEU H 1 24 LEU HG 5.100 . 5.100 4.864 4.808 4.929 . 0 0 "[ . 1 . 2]" 1
1794 1 24 LEU HG 1 56 ALA HA 4.150 . 4.150 4.219 4.186 4.245 0.095 16 0 "[ . 1 . 2]" 1
1795 1 24 LEU H 1 99 LEU HG 4.260 . 4.260 3.125 2.920 3.279 . 0 0 "[ . 1 . 2]" 1
1796 1 45 LEU H 1 45 LEU HG 4.710 . 4.710 4.356 4.295 4.432 . 0 0 "[ . 1 . 2]" 1
1797 1 45 LEU HA 1 45 LEU HG 4.200 . 4.200 2.498 2.423 2.607 . 0 0 "[ . 1 . 2]" 1
1798 1 45 LEU HG 1 81 HIS HA 4.280 . 4.280 4.271 4.076 4.351 0.071 5 0 "[ . 1 . 2]" 1
1799 1 24 LEU HG 1 32 GLY H 4.160 . 4.160 3.413 3.087 3.666 . 0 0 "[ . 1 . 2]" 1
1800 1 36 VAL HA 1 45 LEU HG 4.460 . 4.460 4.569 4.436 4.625 0.165 8 0 "[ . 1 . 2]" 1
1801 1 99 LEU H 1 99 LEU HG 4.490 . 4.490 2.581 2.420 2.713 . 0 0 "[ . 1 . 2]" 1
1802 1 77 LEU H 1 77 LEU HG 4.750 . 4.750 4.342 4.313 4.385 . 0 0 "[ . 1 . 2]" 1
1803 1 47 ILE HG12 1 66 ASP H 5.180 . 5.180 2.972 2.698 3.350 . 0 0 "[ . 1 . 2]" 1
1804 1 47 ILE HG13 1 65 GLY H 5.500 . 5.500 3.825 3.672 3.996 . 0 0 "[ . 1 . 2]" 1
1805 1 26 LYS H 1 26 LYS HG2 5.500 . 5.500 4.351 4.303 4.387 . 0 0 "[ . 1 . 2]" 1
1806 1 65 GLY H 1 107 LEU MD1 4.440 . 4.440 4.391 4.058 4.516 0.076 13 0 "[ . 1 . 2]" 1
1807 1 107 LEU H 1 107 LEU MD1 3.720 . 3.720 3.569 3.336 3.797 0.077 13 0 "[ . 1 . 2]" 1
1808 1 107 LEU HA 1 107 LEU MD1 3.510 . 3.510 3.636 3.556 3.670 0.160 11 0 "[ . 1 . 2]" 1
1809 1 64 THR HB 1 107 LEU MD1 3.870 . 3.870 2.247 1.908 3.047 . 0 0 "[ . 1 . 2]" 1
1810 1 64 THR MG 1 107 LEU MD1 4.400 . 4.400 3.480 3.121 4.092 . 0 0 "[ . 1 . 2]" 1
1811 1 50 LEU MD1 1 52 LEU H 4.290 . 4.290 3.788 3.342 4.108 . 0 0 "[ . 1 . 2]" 1
1812 1 50 LEU H 1 50 LEU MD1 3.520 . 3.520 3.102 2.835 3.535 0.015 18 0 "[ . 1 . 2]" 1
1813 1 50 LEU MD1 1 62 MET QG 4.830 . 4.830 4.458 3.795 4.885 0.055 3 0 "[ . 1 . 2]" 1
1814 1 33 PHE HB2 1 50 LEU MD2 4.130 . 4.130 3.561 3.218 3.851 . 0 0 "[ . 1 . 2]" 1
1815 1 33 PHE HB3 1 50 LEU MD2 3.920 . 3.920 2.930 2.686 3.316 . 0 0 "[ . 1 . 2]" 1
1816 1 5 LYS HA 1 5 LYS HG2 3.880 . 3.880 3.449 2.742 3.878 . 0 0 "[ . 1 . 2]" 1
1817 1 1 GLY QA 1 5 LYS HG3 5.090 . 5.090 4.434 2.185 5.187 0.097 3 0 "[ . 1 . 2]" 1
1818 1 5 LYS HA 1 5 LYS HG3 3.730 . 3.730 3.317 2.232 3.768 0.038 13 0 "[ . 1 . 2]" 1
1819 1 26 LYS HG2 1 93 ILE HA 3.940 . 3.940 1.827 1.807 1.858 . 0 0 "[ . 1 . 2]" 1
1820 1 26 LYS HG2 1 27 SER H 5.500 . 5.500 4.318 4.222 4.467 . 0 0 "[ . 1 . 2]" 1
1821 1 26 LYS HG3 1 93 ILE HG13 5.500 . 5.500 5.539 5.509 5.552 0.052 20 0 "[ . 1 . 2]" 1
1822 1 72 ASN H 1 99 LEU QD 4.270 . 4.270 3.095 2.862 3.541 . 0 0 "[ . 1 . 2]" 1
1823 1 12 PRO HG2 1 77 LEU MD2 4.800 . 4.800 4.856 4.828 4.931 0.131 2 0 "[ . 1 . 2]" 1
1824 1 99 LEU QB 1 99 LEU QD 2.900 . 2.900 1.922 1.905 1.936 . 0 0 "[ . 1 . 2]" 1
1825 1 55 PRO HA 1 58 LEU MD2 3.920 . 3.920 2.748 2.191 3.087 . 0 0 "[ . 1 . 2]" 1
1826 1 58 LEU HB3 1 58 LEU MD2 3.210 . 3.210 2.417 2.323 2.492 . 0 0 "[ . 1 . 2]" 1
1827 1 101 LEU QD 1 102 CYS H 3.990 . 3.990 3.474 3.103 4.016 0.026 8 0 "[ . 1 . 2]" 1
1828 1 22 THR H 1 101 LEU QD 4.480 . 4.480 3.825 2.259 4.482 0.002 13 0 "[ . 1 . 2]" 1
1829 1 68 ILE HA 1 101 LEU QD 3.660 . 3.660 2.735 2.137 3.730 0.070 20 0 "[ . 1 . 2]" 1
1830 1 66 ASP HB2 1 101 LEU QD 4.310 . 4.310 2.328 1.896 3.389 . 0 0 "[ . 1 . 2]" 1
1831 1 18 LYS QE 1 18 LYS HG2 3.600 . 3.600 2.645 1.992 3.456 . 0 0 "[ . 1 . 2]" 1
1832 1 18 LYS HG2 1 20 ILE MD 4.320 . 4.320 3.881 2.400 4.569 0.249 7 0 "[ . 1 . 2]" 1
1833 1 18 LYS HG2 1 19 PHE H 4.420 . 4.420 3.163 1.942 4.508 0.088 20 0 "[ . 1 . 2]" 1
1834 1 18 LYS QB 1 18 LYS HG2 2.650 . 2.650 2.382 2.141 2.513 . 0 0 "[ . 1 . 2]" 1
1835 1 18 LYS H 1 18 LYS HG2 4.570 . 4.570 4.360 4.024 4.620 0.050 20 0 "[ . 1 . 2]" 1
1836 1 18 LYS HA 1 18 LYS HG2 3.910 . 3.910 2.631 2.112 3.870 . 0 0 "[ . 1 . 2]" 1
1837 1 18 LYS H 1 18 LYS HG3 4.840 . 4.840 4.545 4.154 4.859 0.019 3 0 "[ . 1 . 2]" 1
1838 1 16 LYS QE 1 16 LYS HG3 3.650 . 3.650 2.566 2.290 3.030 . 0 0 "[ . 1 . 2]" 1
1839 1 16 LYS HB2 1 16 LYS HG3 2.930 . 2.930 2.273 2.196 2.379 . 0 0 "[ . 1 . 2]" 1
1840 1 23 LYS QG 1 24 LEU H 4.670 . 4.670 2.876 2.702 3.103 . 0 0 "[ . 1 . 2]" 1
1841 1 52 LEU MD1 1 53 ASP H 4.460 . 4.460 4.362 4.046 4.575 0.115 11 0 "[ . 1 . 2]" 1
1842 1 65 GLY HA3 1 107 LEU MD2 3.650 . 3.650 3.182 2.809 3.741 0.091 4 0 "[ . 1 . 2]" 1
1843 1 16 LYS HA 1 16 LYS HG2 4.030 . 4.030 2.479 2.263 2.714 . 0 0 "[ . 1 . 2]" 1
1844 1 16 LYS H 1 16 LYS HG2 4.410 . 4.410 3.355 2.956 3.612 . 0 0 "[ . 1 . 2]" 1
1845 1 23 LYS QG 1 98 ASP QB 5.060 . 5.060 4.250 3.323 4.766 . 0 0 "[ . 1 . 2]" 1
1846 1 23 LYS QG 1 97 VAL H 4.980 . 4.980 2.289 1.966 2.463 . 0 0 "[ . 1 . 2]" 1
1847 1 23 LYS QG 1 98 ASP HA . . 5.050 3.386 3.006 3.785 . 0 0 "[ . 1 . 2]" 1
1848 1 16 LYS HG3 1 17 GLY H 4.510 . 4.510 4.628 4.577 4.710 0.200 6 0 "[ . 1 . 2]" 1
1849 1 107 LEU HA 1 107 LEU MD2 3.270 . 3.270 2.171 1.939 2.936 . 0 0 "[ . 1 . 2]" 1
1850 1 107 LEU MD2 1 108 PRO HD3 3.820 . 3.820 2.714 2.528 3.254 . 0 0 "[ . 1 . 2]" 1
1851 1 9 THR MG 1 15 LEU QD 3.150 . 3.150 2.405 1.729 3.180 0.071 16 0 "[ . 1 . 2]" 1
1852 1 52 LEU HB3 1 52 LEU MD2 2.840 . 2.840 2.218 2.077 2.487 . 0 0 "[ . 1 . 2]" 1
1853 1 84 VAL MG1 1 85 VAL H 4.470 . 4.470 3.875 3.795 3.992 . 0 0 "[ . 1 . 2]" 1
1854 1 83 GLN H 1 84 VAL MG1 4.630 . 4.630 4.041 3.932 4.262 . 0 0 "[ . 1 . 2]" 1
1855 1 76 VAL QG 1 84 VAL MG1 . . 3.690 1.979 1.744 2.553 0.056 10 0 "[ . 1 . 2]" 1
1856 1 81 HIS HA 1 84 VAL MG1 4.440 . 4.440 3.057 2.711 3.643 . 0 0 "[ . 1 . 2]" 1
1857 1 84 VAL MG1 1 87 ILE HB 4.420 . 4.420 4.387 4.059 4.509 0.089 14 0 "[ . 1 . 2]" 1
1858 1 9 THR H 1 15 LEU QD 4.940 . 4.940 3.202 2.183 3.998 . 0 0 "[ . 1 . 2]" 1
1859 1 24 LEU MD2 1 25 ARG H 3.750 . 3.750 3.258 3.131 3.405 . 0 0 "[ . 1 . 2]" 1
1860 1 52 LEU HA 1 52 LEU MD2 3.360 . 3.360 3.114 1.941 3.554 0.194 8 0 "[ . 1 . 2]" 1
1861 1 81 HIS HA 1 85 VAL QG 4.910 . 4.910 3.647 3.396 3.823 . 0 0 "[ . 1 . 2]" 1
1862 1 84 VAL MG2 1 85 VAL QG 2.720 . 2.720 2.302 2.151 2.457 . 0 0 "[ . 1 . 2]" 1
1863 1 24 LEU MD2 1 55 PRO HG3 4.770 . 4.770 4.514 4.422 4.671 . 0 0 "[ . 1 . 2]" 1
1864 1 24 LEU H 1 24 LEU MD2 4.140 . 4.140 4.083 3.952 4.161 0.021 14 0 "[ . 1 . 2]" 1
1865 1 24 LEU MD2 1 59 ASP HB3 4.280 . 4.280 3.885 3.517 4.109 . 0 0 "[ . 1 . 2]" 1
1866 1 45 LEU MD1 1 80 THR H 4.670 . 4.670 4.327 4.242 4.445 . 0 0 "[ . 1 . 2]" 1
1867 1 38 GLY H 1 45 LEU MD1 4.290 . 4.290 2.736 2.377 3.378 . 0 0 "[ . 1 . 2]" 1
1868 1 37 GLY HA3 1 45 LEU MD1 4.630 . 4.630 4.165 3.703 4.752 0.122 17 0 "[ . 1 . 2]" 1
1869 1 45 LEU MD1 1 81 HIS HA 3.230 . 3.230 2.405 2.309 2.583 . 0 0 "[ . 1 . 2]" 1
1870 1 45 LEU MD1 1 81 HIS HB3 4.340 . 4.340 4.478 4.401 4.520 0.180 5 0 "[ . 1 . 2]" 1
1871 1 35 VAL QG 1 45 LEU MD1 3.560 . 3.560 3.424 3.172 3.586 0.026 3 0 "[ . 1 . 2]" 1
1872 1 68 ILE H 1 77 LEU MD1 5.140 . 5.140 5.036 4.902 5.148 0.008 4 0 "[ . 1 . 2]" 1
1873 1 10 ARG HA 1 77 LEU MD1 4.410 . 4.410 4.512 4.474 4.577 0.167 16 0 "[ . 1 . 2]" 1
1874 1 35 VAL QG 1 81 HIS HA 4.970 . 4.970 4.715 4.475 4.971 0.001 20 0 "[ . 1 . 2]" 1
1875 1 34 THR H 1 35 VAL QG 4.520 . 4.520 4.276 3.963 4.636 0.116 12 0 "[ . 1 . 2]" 1
1876 1 125 LEU HB3 1 125 LEU MD2 3.200 . 3.200 2.374 2.304 2.430 . 0 0 "[ . 1 . 2]" 1
1877 1 68 ILE MD 1 69 VAL QG 4.470 . 4.470 4.418 4.335 4.523 0.053 18 0 "[ . 1 . 2]" 1
1878 1 69 VAL QG 1 102 CYS H 3.910 . 3.910 3.073 2.504 3.502 . 0 0 "[ . 1 . 2]" 1
1879 1 67 VAL MG2 1 69 VAL QG 4.730 . 4.730 1.947 1.849 2.051 . 0 0 "[ . 1 . 2]" 1
1880 1 47 ILE HB 1 64 THR MG 4.570 . 4.570 4.279 4.019 4.368 . 0 0 "[ . 1 . 2]" 1
1881 1 72 ASN HD22 1 97 VAL MG1 4.160 . 4.160 2.236 2.005 2.655 . 0 0 "[ . 1 . 2]" 1
1882 1 64 THR H 1 64 THR MG 3.130 . 3.130 2.027 1.893 2.202 . 0 0 "[ . 1 . 2]" 1
1883 1 49 SER HA 1 64 THR MG 3.420 . 3.420 1.866 1.793 1.918 0.007 4 0 "[ . 1 . 2]" 1
1884 1 53 ASP HA 1 58 LEU MD1 3.580 . 3.580 2.790 2.453 3.114 . 0 0 "[ . 1 . 2]" 1
1885 1 58 LEU HA 1 58 LEU MD1 2.930 . 2.930 2.248 2.103 2.404 . 0 0 "[ . 1 . 2]" 1
1886 1 57 ALA MB 1 58 LEU MD1 3.370 . 3.370 2.528 2.344 2.735 . 0 0 "[ . 1 . 2]" 1
1887 1 97 VAL MG1 1 99 LEU H 4.180 . 4.180 4.225 4.192 4.254 0.074 7 0 "[ . 1 . 2]" 1
1888 1 58 LEU H 1 58 LEU MD1 4.070 . 4.070 2.370 2.317 2.431 . 0 0 "[ . 1 . 2]" 1
1889 1 67 VAL MG1 1 68 ILE H 4.570 . 4.570 4.429 4.300 4.493 . 0 0 "[ . 1 . 2]" 1
1890 1 44 PHE QB 1 67 VAL MG1 4.190 . 4.190 3.622 3.392 3.837 . 0 0 "[ . 1 . 2]" 1
1891 1 46 GLN HE22 1 67 VAL MG1 4.690 . 4.690 4.269 3.887 4.713 0.023 3 0 "[ . 1 . 2]" 1
1892 1 113 ASP HB2 1 116 THR MG 3.600 . 3.600 3.690 3.495 3.777 0.177 3 0 "[ . 1 . 2]" 1
1893 1 116 THR HA 1 116 THR MG 2.770 . 2.770 2.282 2.237 2.355 . 0 0 "[ . 1 . 2]" 1
1894 1 34 THR MG 1 35 VAL H 3.850 . 3.850 3.857 3.774 3.893 0.043 2 0 "[ . 1 . 2]" 1
1895 1 34 THR MG 1 49 SER H 4.630 . 4.630 4.134 4.005 4.282 . 0 0 "[ . 1 . 2]" 1
1896 1 71 VAL QG 1 72 ASN HB2 5.040 . 5.040 2.542 2.344 2.777 . 0 0 "[ . 1 . 2]" 1
1897 1 80 THR MG 1 81 HIS H 3.760 . 3.760 3.702 3.463 3.785 0.025 7 0 "[ . 1 . 2]" 1
1898 1 80 THR MG 1 83 GLN H 4.060 . 4.060 4.026 3.910 4.128 0.068 16 0 "[ . 1 . 2]" 1
1899 1 79 HIS HA 1 80 THR MG 4.430 . 4.430 4.232 4.159 4.313 . 0 0 "[ . 1 . 2]" 1
1900 1 41 PRO QD 1 80 THR MG 4.090 . 4.090 1.935 1.784 2.105 0.016 5 0 "[ . 1 . 2]" 1
1901 1 79 HIS HB3 1 80 THR MG 4.710 . 4.710 4.761 4.721 4.795 0.085 16 0 "[ . 1 . 2]" 1
1902 1 41 PRO HB2 1 80 THR MG 4.790 . 4.790 4.813 4.626 4.867 0.077 13 0 "[ . 1 . 2]" 1
1903 1 69 VAL QG 1 77 LEU HG 3.410 . 3.410 3.595 3.568 3.626 0.216 11 0 "[ . 1 . 2]" 1
1904 1 69 VAL QG 1 77 LEU MD2 3.350 . 3.350 1.874 1.822 1.962 . 0 0 "[ . 1 . 2]" 1
1905 1 81 HIS H 1 84 VAL MG2 4.460 . 4.460 4.029 3.815 4.186 . 0 0 "[ . 1 . 2]" 1
1906 1 84 VAL MG2 1 85 VAL H 3.720 . 3.720 2.071 2.012 2.155 . 0 0 "[ . 1 . 2]" 1
1907 1 84 VAL H 1 84 VAL MG2 3.870 . 3.870 2.225 1.829 2.431 . 0 0 "[ . 1 . 2]" 1
1908 1 84 VAL MG2 1 88 PHE QE 4.640 . 4.640 3.206 3.022 3.459 . 0 0 "[ . 1 . 2]" 1
1909 1 71 VAL QG 1 72 ASN H 3.690 . 3.690 2.711 2.519 3.173 . 0 0 "[ . 1 . 2]" 1
1910 1 71 VAL QG 1 74 THR H 4.740 . 4.740 3.766 3.342 4.201 . 0 0 "[ . 1 . 2]" 1
1911 1 12 PRO QD 1 69 VAL QG 4.060 . 4.060 2.678 2.399 2.920 . 0 0 "[ . 1 . 2]" 1
1912 1 71 VAL QG 1 99 LEU QD 3.090 . 3.090 1.905 1.778 2.050 0.022 3 0 "[ . 1 . 2]" 1
1913 1 74 THR H 1 74 THR MG 4.060 . 4.060 3.808 3.749 3.894 . 0 0 "[ . 1 . 2]" 1
1914 1 74 THR MG 1 76 VAL QG 3.850 . 3.850 3.084 2.257 3.773 . 0 0 "[ . 1 . 2]" 1
1915 1 51 VAL HA 1 51 VAL MG2 3.260 . 3.260 2.617 2.444 2.773 . 0 0 "[ . 1 . 2]" 1
1916 1 51 VAL MG1 1 54 GLY H 3.860 . 3.860 2.761 2.371 2.976 . 0 0 "[ . 1 . 2]" 1
1917 1 51 VAL MG1 1 54 GLY HA2 4.730 . 4.730 4.190 3.549 4.601 . 0 0 "[ . 1 . 2]" 1
1918 1 35 VAL HA 1 36 VAL MG1 4.240 . 4.240 3.603 3.440 3.887 . 0 0 "[ . 1 . 2]" 1
1919 1 36 VAL HA 1 36 VAL MG1 3.560 . 3.560 3.228 3.207 3.246 . 0 0 "[ . 1 . 2]" 1
1920 1 36 VAL MG1 1 109 PHE QB 4.790 . 4.790 3.809 1.941 4.842 0.052 13 0 "[ . 1 . 2]" 1
1921 1 95 ALA MB 1 96 SER H 3.160 . 3.160 2.090 1.930 3.068 . 0 0 "[ . 1 . 2]" 1
1922 1 95 ALA H 1 95 ALA MB 3.060 . 3.060 2.308 2.268 2.368 . 0 0 "[ . 1 . 2]" 1
1923 1 92 PRO HD3 1 95 ALA MB 3.620 . 3.620 3.219 3.103 3.361 . 0 0 "[ . 1 . 2]" 1
1924 1 92 PRO QG 1 95 ALA MB 3.960 . 3.960 2.852 2.611 3.031 . 0 0 "[ . 1 . 2]" 1
1925 1 26 LYS HG2 1 95 ALA MB 3.490 . 3.490 3.551 3.520 3.583 0.093 7 0 "[ . 1 . 2]" 1
1926 1 91 ILE MG 1 95 ALA MB 3.170 . 3.170 1.940 1.905 1.982 . 0 0 "[ . 1 . 2]" 1
1927 1 36 VAL H 1 36 VAL MG1 3.740 . 3.740 2.344 2.172 2.490 . 0 0 "[ . 1 . 2]" 1
1928 1 36 VAL MG1 1 48 LYS H 4.340 . 4.340 3.234 2.883 3.796 . 0 0 "[ . 1 . 2]" 1
1929 1 36 VAL MG1 1 108 PRO HD2 5.010 . 5.010 3.690 2.721 4.461 . 0 0 "[ . 1 . 2]" 1
1930 1 36 VAL MG1 1 37 GLY HA2 4.670 . 4.670 3.819 3.265 4.153 . 0 0 "[ . 1 . 2]" 1
1931 1 36 VAL MG1 1 48 LYS HB3 4.580 . 4.580 3.584 3.384 3.988 . 0 0 "[ . 1 . 2]" 1
1932 1 76 VAL QG 1 79 HIS H 4.260 . 4.260 3.554 3.237 4.023 . 0 0 "[ . 1 . 2]" 1
1933 1 92 PRO HD2 1 95 ALA MB 4.230 . 4.230 1.858 1.812 1.948 . 0 0 "[ . 1 . 2]" 1
1934 1 91 ILE MD 1 95 ALA MB 4.930 . 4.930 3.605 3.451 3.777 . 0 0 "[ . 1 . 2]" 1
1935 1 9 THR MG 1 14 GLU H 4.280 . 4.280 3.706 3.501 4.078 . 0 0 "[ . 1 . 2]" 1
1936 1 9 THR MG 1 10 ARG H 4.340 . 4.340 3.367 3.189 3.619 . 0 0 "[ . 1 . 2]" 1
1937 1 9 THR H 1 9 THR MG 3.990 . 3.990 2.272 2.129 2.510 . 0 0 "[ . 1 . 2]" 1
1938 1 9 THR MG 1 15 LEU HA 4.320 . 4.320 2.934 2.356 3.550 . 0 0 "[ . 1 . 2]" 1
1939 1 71 VAL HB 1 76 VAL QG 4.160 . 4.160 2.631 1.911 3.721 . 0 0 "[ . 1 . 2]" 1
1940 1 56 ALA H 1 56 ALA MB 3.360 . 3.360 2.265 2.219 2.291 . 0 0 "[ . 1 . 2]" 1
1941 1 33 PHE HB2 1 56 ALA MB 5.030 . 5.030 3.903 3.709 4.058 . 0 0 "[ . 1 . 2]" 1
1942 1 33 PHE HB3 1 56 ALA MB 4.870 . 4.870 2.506 2.310 2.673 . 0 0 "[ . 1 . 2]" 1
1943 1 50 LEU MD2 1 56 ALA MB 3.850 . 3.850 2.060 1.891 2.759 . 0 0 "[ . 1 . 2]" 1
1944 1 22 THR MG 1 99 LEU H 4.380 . 4.380 3.560 2.766 4.054 . 0 0 "[ . 1 . 2]" 1
1945 1 21 HIS HA 1 22 THR MG 4.270 . 4.270 3.618 3.275 4.103 . 0 0 "[ . 1 . 2]" 1
1946 1 53 ASP H 1 57 ALA MB 4.280 . 4.280 3.912 3.765 4.086 . 0 0 "[ . 1 . 2]" 1
1947 1 53 ASP HA 1 57 ALA MB 4.910 . 4.910 4.240 3.828 4.793 . 0 0 "[ . 1 . 2]" 1
1948 1 52 LEU HG 1 57 ALA MB 3.780 . 3.780 3.616 2.777 3.979 0.199 8 0 "[ . 1 . 2]" 1
1949 1 50 LEU MD1 1 57 ALA MB 4.380 . 4.380 1.978 1.869 2.141 . 0 0 "[ . 1 . 2]" 1
1950 1 68 ILE MD 1 68 ILE MG 3.520 . 3.520 1.971 1.938 2.018 . 0 0 "[ . 1 . 2]" 1
1951 1 68 ILE MG 1 76 VAL QG 3.690 . 3.690 2.295 2.121 2.558 . 0 0 "[ . 1 . 2]" 1
1952 1 81 HIS H 1 82 ALA MB 4.620 . 4.620 4.585 4.517 4.649 0.029 18 0 "[ . 1 . 2]" 1
1953 1 81 HIS HB3 1 82 ALA MB 4.410 . 4.410 4.224 4.052 4.361 . 0 0 "[ . 1 . 2]" 1
1954 1 20 ILE H 1 20 ILE MG 4.410 . 4.410 3.791 3.686 3.870 . 0 0 "[ . 1 . 2]" 1
1955 1 20 ILE MG 1 21 HIS HB2 4.300 . 4.300 4.401 4.262 4.462 0.162 15 0 "[ . 1 . 2]" 1
1956 1 20 ILE HG12 1 20 ILE MG 3.440 . 3.440 2.317 2.176 3.170 . 0 0 "[ . 1 . 2]" 1
1957 1 20 ILE HG13 1 20 ILE MG 3.590 . 3.590 3.120 2.522 3.200 . 0 0 "[ . 1 . 2]" 1
1958 1 124 ILE MG 1 125 LEU H 4.100 . 4.100 3.469 2.941 4.020 . 0 0 "[ . 1 . 2]" 1
1959 1 47 ILE MG 1 65 GLY H 4.210 . 4.210 3.329 3.218 3.451 . 0 0 "[ . 1 . 2]" 1
1960 1 47 ILE MG 1 48 LYS H 3.910 . 3.910 3.023 2.836 3.158 . 0 0 "[ . 1 . 2]" 1
1961 1 34 THR MG 1 47 ILE MG 4.550 . 4.550 4.645 4.586 4.711 0.161 12 0 "[ . 1 . 2]" 1
1962 1 93 ILE H 1 93 ILE MG 3.770 . 3.770 3.755 3.711 3.778 0.008 15 0 "[ . 1 . 2]" 1
1963 1 93 ILE MG 1 95 ALA H 4.620 . 4.620 4.329 4.249 4.376 . 0 0 "[ . 1 . 2]" 1
1964 1 27 SER HA 1 93 ILE MG 4.660 . 4.660 4.069 3.322 4.297 . 0 0 "[ . 1 . 2]" 1
1965 1 93 ILE MG 1 94 GLY QA 4.310 . 4.310 2.954 2.920 2.989 . 0 0 "[ . 1 . 2]" 1
1966 1 93 ILE HG13 1 93 ILE MG 2.890 . 2.890 2.173 2.123 2.209 . 0 0 "[ . 1 . 2]" 1
1967 1 91 ILE MG 1 95 ALA HA 4.280 . 4.280 4.349 4.318 4.383 0.103 13 0 "[ . 1 . 2]" 1
1968 1 91 ILE MG 1 94 GLY H 5.500 . 5.500 5.201 5.169 5.259 . 0 0 "[ . 1 . 2]" 1
1969 1 91 ILE H 1 91 ILE MG 3.840 . 3.840 3.616 3.571 3.648 . 0 0 "[ . 1 . 2]" 1
1970 1 91 ILE MG 1 92 PRO HD2 4.090 . 4.090 2.251 2.113 2.388 . 0 0 "[ . 1 . 2]" 1
1971 1 91 ILE MG 1 92 PRO HD3 3.910 . 3.910 2.769 2.658 2.899 . 0 0 "[ . 1 . 2]" 1
1972 1 91 ILE MG 1 97 VAL MG2 4.760 . 4.760 2.331 2.248 2.405 . 0 0 "[ . 1 . 2]" 1
1973 1 91 ILE MG 1 97 VAL H 5.500 . 5.500 5.058 4.830 5.247 . 0 0 "[ . 1 . 2]" 1
1974 1 26 LYS H 1 91 ILE MG 5.090 . 5.090 4.174 3.976 4.289 . 0 0 "[ . 1 . 2]" 1
1975 1 88 PHE QE 1 91 ILE MG 4.940 . 4.940 5.005 4.978 5.036 0.096 13 0 "[ . 1 . 2]" 1
1976 1 91 ILE MG 1 93 ILE HA 4.970 . 4.970 4.636 4.582 4.703 . 0 0 "[ . 1 . 2]" 1
1977 1 87 ILE MG 1 88 PHE QB 4.730 . 4.730 4.271 4.064 4.518 . 0 0 "[ . 1 . 2]" 1
1978 1 87 ILE H 1 87 ILE MG 3.770 . 3.770 3.620 3.516 3.728 . 0 0 "[ . 1 . 2]" 1
1979 1 56 ALA HA 1 62 MET ME 4.340 . 4.340 3.783 3.511 4.251 . 0 0 "[ . 1 . 2]" 1
1980 1 62 MET ME 1 62 MET QG 3.580 . 3.580 2.394 2.172 2.497 . 0 0 "[ . 1 . 2]" 1
1981 1 62 MET ME 1 101 LEU QD 3.340 . 3.340 1.994 1.776 2.339 0.024 1 0 "[ . 1 . 2]" 1
1982 1 68 ILE H 1 68 ILE MD 4.080 . 4.080 3.837 3.567 3.999 . 0 0 "[ . 1 . 2]" 1
1983 1 47 ILE MD 1 68 ILE MD 3.940 . 3.940 2.737 2.126 3.208 . 0 0 "[ . 1 . 2]" 1
1984 1 20 ILE MD 1 103 ARG H 4.370 . 4.370 3.213 2.472 4.545 0.175 1 0 "[ . 1 . 2]" 1
1985 1 20 ILE MD 1 103 ARG QH2 4.180 . 4.180 2.073 1.751 3.283 0.049 18 0 "[ . 1 . 2]" 1
1986 1 18 LYS HA 1 20 ILE MD 4.650 . 4.650 4.793 4.642 4.939 0.289 1 0 "[ . 1 . 2]" 1
1987 1 20 ILE MD 1 103 ARG HD2 4.980 . 4.980 4.301 3.250 5.176 0.196 1 0 "[ . 1 . 2]" 1
1988 1 18 LYS QE 1 20 ILE MD 4.330 . 4.330 2.383 1.753 3.137 0.047 19 0 "[ . 1 . 2]" 1
1989 1 20 ILE MD 1 103 ARG QB 3.180 . 3.180 2.478 1.946 3.482 0.302 2 0 "[ . 1 . 2]" 1
1990 1 20 ILE HB 1 20 ILE MD 3.320 . 3.320 2.409 2.220 3.231 . 0 0 "[ . 1 . 2]" 1
1991 1 20 ILE MD 1 21 HIS H 5.060 . 5.060 5.025 4.033 5.221 0.161 10 0 "[ . 1 . 2]" 1
1992 1 87 ILE MD 1 88 PHE H 4.650 . 4.650 4.673 4.642 4.729 0.079 1 0 "[ . 1 . 2]" 1
1993 1 93 ILE H 1 93 ILE MD 3.530 . 3.530 3.427 3.340 3.529 . 0 0 "[ . 1 . 2]" 1
1994 1 93 ILE HA 1 93 ILE MD 3.890 . 3.890 1.874 1.848 1.896 . 0 0 "[ . 1 . 2]" 1
1995 1 93 ILE HB 1 93 ILE MD 2.800 . 2.800 3.111 3.104 3.117 0.317 3 0 "[ . 1 . 2]" 1
1996 1 72 ASN HD21 1 91 ILE MD 4.240 . 4.240 3.915 2.851 4.268 0.028 9 0 "[ . 1 . 2]" 1
1997 1 91 ILE H 1 91 ILE MD 3.760 . 3.760 3.735 3.578 3.791 0.031 9 0 "[ . 1 . 2]" 1
1998 1 72 ASN HD22 1 91 ILE MD 4.050 . 4.050 2.636 1.801 3.072 . 0 0 "[ . 1 . 2]" 1
1999 1 24 LEU MD1 1 33 PHE QD 4.520 . 4.520 3.017 2.632 3.308 . 0 0 "[ . 1 . 2]" 1
2000 1 24 LEU HG 1 33 PHE QD 4.570 . 4.570 2.265 2.051 2.508 . 0 0 "[ . 1 . 2]" 1
2001 1 19 PHE H 1 19 PHE QE 5.160 . 5.160 4.907 4.630 5.202 0.042 19 0 "[ . 1 . 2]" 1
2002 1 6 PRO QG 1 44 PHE QE 5.380 . 5.380 3.718 3.260 4.080 . 0 0 "[ . 1 . 2]" 1
2003 1 8 PHE HZ 1 44 PHE QE 3.920 . 3.920 3.990 3.940 4.035 0.115 10 0 "[ . 1 . 2]" 1
2004 1 45 LEU HG 1 81 HIS HD2 3.640 . 3.640 2.495 2.138 2.964 . 0 0 "[ . 1 . 2]" 1
2005 1 81 HIS H 1 81 HIS HD2 4.790 . 4.790 3.810 3.565 3.991 . 0 0 "[ . 1 . 2]" 1
2006 1 37 GLY HA2 1 81 HIS HD2 5.230 . 5.230 5.051 4.768 5.254 0.024 11 0 "[ . 1 . 2]" 1
2007 1 21 HIS HD2 1 100 GLU QB 5.370 . 5.370 4.154 2.126 5.446 0.076 17 0 "[ . 1 . 2]" 1
2008 1 78 GLY HA2 1 81 HIS HD2 5.070 . 5.070 4.509 4.325 4.732 . 0 0 "[ . 1 . 2]" 1
2009 1 38 GLY H 1 81 HIS HD2 5.160 . 5.160 2.806 2.023 3.464 . 0 0 "[ . 1 . 2]" 1
2010 1 79 HIS HA 1 79 HIS HE1 4.940 . 4.940 4.750 4.634 4.847 . 0 0 "[ . 1 . 2]" 1
2011 1 79 HIS HE1 1 83 GLN HB3 4.970 . 4.970 5.073 5.036 5.117 0.147 17 0 "[ . 1 . 2]" 1
2012 1 76 VAL HA 1 79 HIS HE1 4.420 . 4.420 4.476 4.439 4.517 0.097 2 0 "[ . 1 . 2]" 1
2013 1 35 VAL H 1 81 HIS HE1 4.830 . 4.830 4.283 4.081 4.576 . 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 78
_Distance_constraint_stats_list.Viol_count 637
_Distance_constraint_stats_list.Viol_total 860.695
_Distance_constraint_stats_list.Viol_max 0.428
_Distance_constraint_stats_list.Viol_rms 0.0630
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0276
_Distance_constraint_stats_list.Viol_average_violations_only 0.0676
_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 11 ASN 0.521 0.098 7 0 "[ . 1 . 2]"
1 15 LEU 0.521 0.098 7 0 "[ . 1 . 2]"
1 18 LYS 0.937 0.094 19 0 "[ . 1 . 2]"
1 20 ILE 0.894 0.070 16 0 "[ . 1 . 2]"
1 22 THR 1.734 0.143 5 0 "[ . 1 . 2]"
1 24 LEU 1.324 0.081 2 0 "[ . 1 . 2]"
1 26 LYS 1.093 0.096 19 0 "[ . 1 . 2]"
1 34 THR 1.030 0.072 7 0 "[ . 1 . 2]"
1 36 VAL 0.676 0.071 6 0 "[ . 1 . 2]"
1 40 GLU 12.999 0.428 8 0 "[ . 1 . 2]"
1 43 GLU 12.999 0.428 8 0 "[ . 1 . 2]"
1 45 LEU 8.934 0.284 15 0 "[ . 1 . 2]"
1 46 GLN 0.676 0.071 6 0 "[ . 1 . 2]"
1 47 ILE 0.621 0.076 2 0 "[ . 1 . 2]"
1 48 LYS 0.261 0.036 14 0 "[ . 1 . 2]"
1 49 SER 0.769 0.072 7 0 "[ . 1 . 2]"
1 56 ALA 3.058 0.162 1 0 "[ . 1 . 2]"
1 62 MET 3.058 0.162 1 0 "[ . 1 . 2]"
1 63 GLU 0.638 0.072 12 0 "[ . 1 . 2]"
1 65 GLY 0.160 0.048 8 0 "[ . 1 . 2]"
1 66 ASP 1.099 0.076 2 0 "[ . 1 . 2]"
1 67 VAL 2.349 0.152 1 0 "[ . 1 . 2]"
1 68 ILE 8.934 0.284 15 0 "[ . 1 . 2]"
1 69 VAL 3.738 0.116 6 0 "[ . 1 . 2]"
1 70 SER 0.469 0.054 6 0 "[ . 1 . 2]"
1 71 VAL 0.438 0.049 13 0 "[ . 1 . 2]"
1 72 ASN 0.105 0.031 2 0 "[ . 1 . 2]"
1 74 THR 0.438 0.049 13 0 "[ . 1 . 2]"
1 76 VAL 0.211 0.036 11 0 "[ . 1 . 2]"
1 77 LEU 3.067 0.116 6 0 "[ . 1 . 2]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.994 0.074 11 0 "[ . 1 . 2]"
1 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.002 0.002 11 0 "[ . 1 . 2]"
1 83 GLN 1.019 0.074 11 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.439 0.046 20 0 "[ . 1 . 2]"
1 86 LYS 0.002 0.002 11 0 "[ . 1 . 2]"
1 87 ILE 0.044 0.018 15 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLN 0.439 0.046 20 0 "[ . 1 . 2]"
1 91 ILE 0.019 0.009 1 0 "[ . 1 . 2]"
1 95 ALA 1.093 0.096 19 0 "[ . 1 . 2]"
1 97 VAL 1.324 0.081 2 0 "[ . 1 . 2]"
1 98 ASP 0.105 0.031 2 0 "[ . 1 . 2]"
1 99 LEU 1.734 0.143 5 0 "[ . 1 . 2]"
1 100 GLU 0.929 0.055 20 0 "[ . 1 . 2]"
1 101 LEU 0.894 0.070 16 0 "[ . 1 . 2]"
1 102 CYS 2.349 0.152 1 0 "[ . 1 . 2]"
1 103 ARG 0.937 0.094 19 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 11 ASN O 1 15 LEU H 1.800 . 2.300 2.257 1.972 2.398 0.098 7 0 "[ . 1 . 2]" 2
2 1 11 ASN O 1 15 LEU N 2.800 2.800 3.300 3.039 2.889 3.148 . 0 0 "[ . 1 . 2]" 2
3 1 20 ILE H 1 101 LEU O 1.800 . 2.300 1.915 1.796 2.060 0.004 14 0 "[ . 1 . 2]" 2
4 1 20 ILE N 1 101 LEU O 2.800 2.800 3.300 2.839 2.746 2.957 0.054 14 0 "[ . 1 . 2]" 2
5 1 22 THR H 1 99 LEU O 1.800 . 2.300 1.928 1.805 2.079 . 0 0 "[ . 1 . 2]" 2
6 1 22 THR N 1 99 LEU O 2.800 2.800 3.300 2.866 2.754 3.051 0.046 8 0 "[ . 1 . 2]" 2
7 1 24 LEU H 1 97 VAL O 1.800 . 2.300 1.813 1.787 1.846 0.013 1 0 "[ . 1 . 2]" 2
8 1 24 LEU N 1 97 VAL O 2.800 2.800 3.300 2.738 2.719 2.769 0.081 2 0 "[ . 1 . 2]" 2
9 1 26 LYS H 1 95 ALA O 1.800 . 2.300 2.241 1.861 2.328 0.028 12 0 "[ . 1 . 2]" 2
10 1 26 LYS N 1 95 ALA O 2.800 2.800 3.300 2.760 2.704 2.787 0.096 19 0 "[ . 1 . 2]" 2
11 1 34 THR H 1 49 SER O 1.800 . 2.300 1.884 1.802 1.950 . 0 0 "[ . 1 . 2]" 2
12 1 34 THR N 1 49 SER O 2.800 2.800 3.300 2.762 2.728 2.786 0.072 7 0 "[ . 1 . 2]" 2
13 1 36 VAL H 1 46 GLN O 1.800 . 2.300 1.950 1.837 2.110 . 0 0 "[ . 1 . 2]" 2
14 1 36 VAL N 1 46 GLN O 2.800 2.800 3.300 2.905 2.788 3.057 0.012 13 0 "[ . 1 . 2]" 2
15 1 40 GLU H 1 43 GLU O 1.800 . 2.300 2.641 2.584 2.728 0.428 8 0 "[ . 1 . 2]" 2
16 1 40 GLU N 1 43 GLU O 2.800 2.800 3.300 3.604 3.567 3.655 0.355 8 0 "[ . 1 . 2]" 2
17 1 40 GLU O 1 43 GLU H 1.800 . 2.300 1.861 1.804 1.941 . 0 0 "[ . 1 . 2]" 2
18 1 40 GLU O 1 43 GLU N 2.800 2.800 3.300 2.809 2.782 2.855 0.018 10 0 "[ . 1 . 2]" 2
19 1 45 LEU H 1 68 ILE O 1.800 . 2.300 2.555 2.513 2.584 0.284 15 0 "[ . 1 . 2]" 2
20 1 45 LEU N 1 68 ILE O 2.800 2.800 3.300 3.443 3.378 3.485 0.185 10 0 "[ . 1 . 2]" 2
21 1 36 VAL O 1 46 GLN H 1.800 . 2.300 1.862 1.770 2.120 0.030 20 0 "[ . 1 . 2]" 2
22 1 36 VAL O 1 46 GLN N 2.800 2.800 3.300 2.786 2.729 2.958 0.071 6 0 "[ . 1 . 2]" 2
23 1 47 ILE H 1 66 ASP O 1.800 . 2.300 1.880 1.789 1.992 0.011 4 0 "[ . 1 . 2]" 2
24 1 47 ILE N 1 66 ASP O 2.800 2.800 3.300 2.795 2.724 2.892 0.076 2 0 "[ . 1 . 2]" 2
25 1 34 THR O 1 48 LYS H 1.800 . 2.300 1.973 1.900 2.101 . 0 0 "[ . 1 . 2]" 2
26 1 34 THR O 1 48 LYS N 2.800 2.800 3.300 2.794 2.764 2.883 0.036 14 0 "[ . 1 . 2]" 2
27 1 56 ALA O 1 62 MET H 1.800 . 2.300 2.410 2.352 2.462 0.162 1 0 "[ . 1 . 2]" 2
28 1 56 ALA O 1 62 MET N 2.800 2.800 3.300 3.342 3.278 3.382 0.082 4 0 "[ . 1 . 2]" 2
29 1 47 ILE O 1 65 GLY H 1.800 . 2.300 2.215 2.024 2.348 0.048 8 0 "[ . 1 . 2]" 2
30 1 47 ILE O 1 65 GLY N 2.800 2.800 3.300 2.916 2.777 3.046 0.023 14 0 "[ . 1 . 2]" 2
31 1 63 GLU O 1 66 ASP H 1.800 . 2.300 2.253 1.841 2.372 0.072 12 0 "[ . 1 . 2]" 2
32 1 63 GLU O 1 66 ASP N 2.800 2.800 3.300 3.224 2.798 3.347 0.047 11 0 "[ . 1 . 2]" 2
33 1 67 VAL H 1 102 CYS O 1.800 . 2.300 1.757 1.701 1.789 0.099 2 0 "[ . 1 . 2]" 2
34 1 67 VAL N 1 102 CYS O 2.800 2.800 3.300 2.725 2.648 2.760 0.152 1 0 "[ . 1 . 2]" 2
35 1 45 LEU O 1 68 ILE H 1.800 . 2.300 2.085 1.984 2.201 . 0 0 "[ . 1 . 2]" 2
36 1 45 LEU O 1 68 ILE N 2.800 2.800 3.300 2.751 2.727 2.781 0.073 7 0 "[ . 1 . 2]" 2
37 1 69 VAL H 1 100 GLU O 1.800 . 2.300 1.828 1.795 1.868 0.005 20 0 "[ . 1 . 2]" 2
38 1 69 VAL N 1 100 GLU O 2.800 2.800 3.300 2.780 2.745 2.827 0.055 20 0 "[ . 1 . 2]" 2
39 1 70 SER H 1 100 GLU O 1.800 . 2.300 2.302 2.048 2.354 0.054 6 0 "[ . 1 . 2]" 2
40 1 70 SER N 1 100 GLU O 2.800 2.800 3.300 3.238 2.993 3.311 0.011 6 0 "[ . 1 . 2]" 2
41 1 71 VAL H 1 74 THR O 1.800 . 2.300 1.922 1.825 2.260 . 0 0 "[ . 1 . 2]" 2
42 1 71 VAL N 1 74 THR O 2.800 2.800 3.300 2.854 2.791 3.055 0.009 15 0 "[ . 1 . 2]" 2
43 1 72 ASN H 1 98 ASP O 1.800 . 2.300 2.010 1.874 2.278 . 0 0 "[ . 1 . 2]" 2
44 1 72 ASN N 1 98 ASP O 2.800 2.800 3.300 2.859 2.769 3.082 0.031 2 0 "[ . 1 . 2]" 2
45 1 71 VAL O 1 74 THR H 1.800 . 2.300 1.872 1.784 1.981 0.016 13 0 "[ . 1 . 2]" 2
46 1 71 VAL O 1 74 THR N 2.800 2.800 3.300 2.782 2.751 2.818 0.049 13 0 "[ . 1 . 2]" 2
47 1 69 VAL O 1 76 VAL H 1.800 . 2.300 2.025 1.895 2.252 . 0 0 "[ . 1 . 2]" 2
48 1 69 VAL O 1 76 VAL N 2.800 2.800 3.300 2.823 2.764 2.943 0.036 11 0 "[ . 1 . 2]" 2
49 1 69 VAL O 1 77 LEU H 1.800 . 2.300 2.377 2.334 2.416 0.116 6 0 "[ . 1 . 2]" 2
50 1 69 VAL O 1 77 LEU N 2.800 2.800 3.300 2.724 2.690 2.771 0.110 18 0 "[ . 1 . 2]" 2
51 1 76 VAL O 1 79 HIS H 1.800 . 2.300 1.978 1.903 2.051 . 0 0 "[ . 1 . 2]" 2
52 1 76 VAL O 1 79 HIS N 2.800 2.800 3.300 2.927 2.842 3.010 . 0 0 "[ . 1 . 2]" 2
53 1 80 THR O 1 83 GLN H 1.800 . 2.300 2.350 2.324 2.374 0.074 11 0 "[ . 1 . 2]" 2
54 1 80 THR O 1 83 GLN N 2.800 2.800 3.300 2.884 2.850 2.919 . 0 0 "[ . 1 . 2]" 2
55 1 80 THR O 1 84 VAL H 1.800 . 2.300 1.908 1.834 2.030 . 0 0 "[ . 1 . 2]" 2
56 1 80 THR O 1 84 VAL N 2.800 2.800 3.300 2.873 2.803 2.999 . 0 0 "[ . 1 . 2]" 2
57 1 81 HIS O 1 85 VAL H 1.800 . 2.300 2.024 1.923 2.178 . 0 0 "[ . 1 . 2]" 2
58 1 81 HIS O 1 85 VAL N 2.800 2.800 3.300 2.979 2.872 3.132 . 0 0 "[ . 1 . 2]" 2
59 1 82 ALA O 1 86 LYS H 1.800 . 2.300 2.020 1.850 2.128 . 0 0 "[ . 1 . 2]" 2
60 1 82 ALA O 1 86 LYS N 2.800 2.800 3.300 2.951 2.798 3.058 0.002 11 0 "[ . 1 . 2]" 2
61 1 83 GLN O 1 87 ILE H 1.800 . 2.300 2.008 1.875 2.211 . 0 0 "[ . 1 . 2]" 2
62 1 83 GLN O 1 87 ILE N 2.800 2.800 3.300 2.901 2.782 3.097 0.018 15 0 "[ . 1 . 2]" 2
63 1 84 VAL O 1 88 PHE H 1.800 . 2.300 2.080 1.900 2.214 . 0 0 "[ . 1 . 2]" 2
64 1 84 VAL O 1 88 PHE N 2.800 2.800 3.300 2.995 2.819 3.128 . 0 0 "[ . 1 . 2]" 2
65 1 85 VAL O 1 89 GLN H 1.800 . 2.300 1.874 1.831 1.916 . 0 0 "[ . 1 . 2]" 2
66 1 85 VAL O 1 89 GLN N 2.800 2.800 3.300 2.779 2.754 2.821 0.046 20 0 "[ . 1 . 2]" 2
67 1 87 ILE O 1 91 ILE H 1.800 . 2.300 2.112 1.905 2.309 0.009 1 0 "[ . 1 . 2]" 2
68 1 87 ILE O 1 91 ILE N 2.800 2.800 3.300 2.962 2.832 3.123 . 0 0 "[ . 1 . 2]" 2
69 1 26 LYS O 1 95 ALA H 1.800 . 2.300 2.282 2.188 2.367 0.067 7 0 "[ . 1 . 2]" 2
70 1 26 LYS O 1 95 ALA N 2.800 2.800 3.300 2.872 2.778 2.973 0.022 5 0 "[ . 1 . 2]" 2
71 1 24 LEU O 1 97 VAL H 1.800 . 2.300 2.068 1.986 2.236 . 0 0 "[ . 1 . 2]" 2
72 1 24 LEU O 1 97 VAL N 2.800 2.800 3.300 2.817 2.785 2.870 0.015 2 0 "[ . 1 . 2]" 2
73 1 22 THR O 1 99 LEU H 1.800 . 2.300 1.799 1.731 1.850 0.069 4 0 "[ . 1 . 2]" 2
74 1 22 THR O 1 99 LEU N 2.800 2.800 3.300 2.730 2.657 2.785 0.143 5 0 "[ . 1 . 2]" 2
75 1 20 ILE O 1 101 LEU H 1.800 . 2.300 1.809 1.762 1.899 0.038 17 0 "[ . 1 . 2]" 2
76 1 20 ILE O 1 101 LEU N 2.800 2.800 3.300 2.773 2.730 2.849 0.070 16 0 "[ . 1 . 2]" 2
77 1 18 LYS O 1 103 ARG H 1.800 . 2.300 1.830 1.775 1.927 0.025 15 0 "[ . 1 . 2]" 2
78 1 18 LYS O 1 103 ARG N 2.800 2.800 3.300 2.763 2.706 2.841 0.094 19 0 "[ . 1 . 2]" 2
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