NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578953 |
2ru4   |
11544 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ru4
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 1879
_Distance_constraint_stats_list.Viol_count 4452
_Distance_constraint_stats_list.Viol_total 5453.764
_Distance_constraint_stats_list.Viol_max 0.466
_Distance_constraint_stats_list.Viol_rms 0.0285
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0613
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.015 0.015 6 0 "[ . 1 . 2]"
1 24 LYS 0.015 0.015 6 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.640 0.104 1 0 "[ . 1 . 2]"
1 38 ALA 0.506 0.104 1 0 "[ . 1 . 2]"
1 39 VAL 0.235 0.147 4 0 "[ . 1 . 2]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.235 0.147 4 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.053 0.053 8 0 "[ . 1 . 2]"
1 44 ALA 0.053 0.053 8 0 "[ . 1 . 2]"
1 45 LEU 1.644 0.163 14 0 "[ . 1 . 2]"
1 46 PRO 0.024 0.008 7 0 "[ . 1 . 2]"
1 47 ALA 1.844 0.163 14 0 "[ . 1 . 2]"
1 48 LEU 1.802 0.116 2 0 "[ . 1 . 2]"
1 49 VAL 4.045 0.164 16 0 "[ . 1 . 2]"
1 50 GLN 4.313 0.218 2 0 "[ . 1 . 2]"
1 51 LEU 3.250 0.147 5 0 "[ . 1 . 2]"
1 52 LEU 0.542 0.140 5 0 "[ . 1 . 2]"
1 53 SER 3.565 0.147 5 0 "[ . 1 . 2]"
1 54 SER 1.150 0.111 5 0 "[ . 1 . 2]"
1 56 ASN 4.045 0.165 6 0 "[ . 1 . 2]"
1 57 GLU 1.962 0.110 17 0 "[ . 1 . 2]"
1 58 GLN 3.866 0.199 18 0 "[ . 1 . 2]"
1 59 ILE 1.862 0.165 6 0 "[ . 1 . 2]"
1 60 LEU 0.958 0.123 6 0 "[ . 1 . 2]"
1 61 GLN 3.022 0.123 6 0 "[ . 1 . 2]"
1 62 GLU 0.016 0.009 12 0 "[ . 1 . 2]"
1 63 ALA 0.579 0.056 13 0 "[ . 1 . 2]"
1 64 LEU 2.722 0.127 9 0 "[ . 1 . 2]"
1 65 TRP 3.745 0.109 9 0 "[ . 1 . 2]"
1 66 ALA 0.818 0.108 11 0 "[ . 1 . 2]"
1 67 LEU 2.404 0.164 16 0 "[ . 1 . 2]"
1 68 SER 2.720 0.147 14 0 "[ . 1 . 2]"
1 69 ASN 0.495 0.047 13 0 "[ . 1 . 2]"
1 70 ILE 1.211 0.163 3 0 "[ . 1 . 2]"
1 71 ALA 1.737 0.145 18 0 "[ . 1 . 2]"
1 72 SER 1.420 0.160 2 0 "[ . 1 . 2]"
1 73 GLY 0.769 0.092 16 0 "[ . 1 . 2]"
1 74 GLY 1.890 0.145 18 0 "[ . 1 . 2]"
1 75 ASN 3.782 0.121 18 0 "[ . 1 . 2]"
1 76 GLU 0.080 0.043 3 0 "[ . 1 . 2]"
1 77 GLN 4.553 0.163 3 0 "[ . 1 . 2]"
1 78 ILE 6.197 0.178 8 0 "[ . 1 . 2]"
1 79 GLN 3.955 0.178 8 0 "[ . 1 . 2]"
1 80 ALA 0.802 0.152 15 0 "[ . 1 . 2]"
1 81 VAL 2.634 0.165 1 0 "[ . 1 . 2]"
1 82 ILE 4.205 0.140 2 0 "[ . 1 . 2]"
1 83 ASP 1.335 0.101 20 0 "[ . 1 . 2]"
1 84 ALA 0.108 0.033 4 0 "[ . 1 . 2]"
1 85 GLY 0.041 0.020 2 0 "[ . 1 . 2]"
1 86 ALA 5.744 0.337 2 0 "[ . 1 . 2]"
1 87 LEU 6.925 0.337 2 0 "[ . 1 . 2]"
1 88 PRO 0.383 0.057 8 0 "[ . 1 . 2]"
1 89 ALA 1.097 0.076 7 0 "[ . 1 . 2]"
1 90 LEU 3.056 0.173 7 0 "[ . 1 . 2]"
1 91 VAL 0.414 0.068 5 0 "[ . 1 . 2]"
1 92 GLN 1.650 0.104 5 0 "[ . 1 . 2]"
1 93 LEU 6.121 0.193 6 0 "[ . 1 . 2]"
1 94 LEU 2.851 0.248 15 0 "[ . 1 . 2]"
1 95 SER 0.664 0.101 12 0 "[ . 1 . 2]"
1 96 SER 2.397 0.090 7 0 "[ . 1 . 2]"
1 97 PRO 1.042 0.090 7 0 "[ . 1 . 2]"
1 98 ASN 15.311 0.466 7 0 "[ . 1 . 2]"
1 99 GLU 0.854 0.075 3 0 "[ . 1 . 2]"
1 100 GLN 2.769 0.107 8 0 "[ . 1 . 2]"
1 101 ILE 4.439 0.273 6 0 "[ . 1 . 2]"
1 102 LEU 7.883 0.261 15 0 "[ . 1 . 2]"
1 103 GLN 18.710 0.389 10 0 "[ . 1 . 2]"
1 104 GLU 8.239 0.226 13 0 "[ . 1 . 2]"
1 105 ALA 3.317 0.173 7 0 "[ . 1 . 2]"
1 106 LEU 1.454 0.079 16 0 "[ . 1 . 2]"
1 107 TRP 0.904 0.102 4 0 "[ . 1 . 2]"
1 108 ALA 3.697 0.302 10 0 "[ . 1 . 2]"
1 109 LEU 5.335 0.302 10 0 "[ . 1 . 2]"
1 110 SER 1.622 0.180 17 0 "[ . 1 . 2]"
1 111 ASN 4.494 0.160 2 0 "[ . 1 . 2]"
1 112 ILE 7.129 0.237 8 0 "[ . 1 . 2]"
1 113 ALA 2.891 0.135 9 0 "[ . 1 . 2]"
1 114 SER 0.217 0.071 4 0 "[ . 1 . 2]"
1 115 GLY 2.259 0.118 3 0 "[ . 1 . 2]"
2 4 GLN 2.142 0.130 2 0 "[ . 1 . 2]"
2 5 ILE 7.485 0.237 3 0 "[ . 1 . 2]"
2 6 GLN 3.450 0.237 3 0 "[ . 1 . 2]"
2 7 ALA 0.320 0.077 11 0 "[ . 1 . 2]"
2 8 VAL 4.071 0.130 2 0 "[ . 1 . 2]"
2 9 ILE 3.684 0.117 9 0 "[ . 1 . 2]"
2 10 ASP 0.395 0.047 2 0 "[ . 1 . 2]"
2 11 ALA 0.659 0.074 12 0 "[ . 1 . 2]"
2 12 GLY 0.197 0.047 2 0 "[ . 1 . 2]"
2 13 ALA 1.395 0.108 3 0 "[ . 1 . 2]"
2 14 LEU 0.729 0.072 16 0 "[ . 1 . 2]"
2 15 PRO 0.383 0.035 18 0 "[ . 1 . 2]"
2 16 ALA 0.210 0.060 18 0 "[ . 1 . 2]"
2 17 LEU 0.627 0.123 4 0 "[ . 1 . 2]"
2 18 VAL 2.945 0.176 2 0 "[ . 1 . 2]"
2 19 GLN 5.832 0.245 3 0 "[ . 1 . 2]"
2 20 LEU 5.443 0.228 2 0 "[ . 1 . 2]"
2 21 LEU 1.550 0.228 2 0 "[ . 1 . 2]"
2 22 SER 8.798 0.253 15 0 "[ . 1 . 2]"
2 23 SER 2.010 0.143 8 0 "[ . 1 . 2]"
2 24 PRO 0.051 0.033 6 0 "[ . 1 . 2]"
2 25 ASN 3.389 0.092 15 0 "[ . 1 . 2]"
2 26 GLU 0.885 0.103 15 0 "[ . 1 . 2]"
2 27 GLN 7.775 0.287 14 0 "[ . 1 . 2]"
2 28 ILE 8.800 0.287 14 0 "[ . 1 . 2]"
2 29 LEU 4.747 0.126 13 0 "[ . 1 . 2]"
2 30 GLN 2.799 0.185 9 0 "[ . 1 . 2]"
2 31 GLU 1.858 0.205 3 0 "[ . 1 . 2]"
2 32 ALA 0.627 0.205 3 0 "[ . 1 . 2]"
2 33 LEU 2.680 0.171 2 0 "[ . 1 . 2]"
2 34 TRP 0.870 0.171 2 0 "[ . 1 . 2]"
2 35 ALA 0.026 0.023 6 0 "[ . 1 . 2]"
2 36 LEU 1.900 0.110 9 0 "[ . 1 . 2]"
2 37 SER 2.294 0.095 13 0 "[ . 1 . 2]"
2 38 ASN 1.130 0.095 13 0 "[ . 1 . 2]"
2 39 ILE 4.046 0.130 3 0 "[ . 1 . 2]"
2 40 ALA 0.842 0.082 14 0 "[ . 1 . 2]"
2 41 SER 3.085 0.130 3 0 "[ . 1 . 2]"
2 42 GLY 1.957 0.163 4 0 "[ . 1 . 2]"
2 43 GLY 2.027 0.163 4 0 "[ . 1 . 2]"
2 46 GLN 1.347 0.106 3 0 "[ . 1 . 2]"
2 47 LYS 5.722 0.165 3 0 "[ . 1 . 2]"
2 48 GLN 6.671 0.250 16 0 "[ . 1 . 2]"
2 49 ALA 3.358 0.250 16 0 "[ . 1 . 2]"
2 50 VAL 1.929 0.102 19 0 "[ . 1 . 2]"
2 51 LYS 2.186 0.102 19 0 "[ . 1 . 2]"
2 52 GLU 1.340 0.057 20 0 "[ . 1 . 2]"
2 53 ALA 1.183 0.054 17 0 "[ . 1 . 2]"
2 54 GLY 0.365 0.043 13 0 "[ . 1 . 2]"
2 55 ALA 0.864 0.080 7 0 "[ . 1 . 2]"
2 56 LEU 6.037 0.276 3 0 "[ . 1 . 2]"
2 57 GLU 6.271 0.239 3 0 "[ . 1 . 2]"
2 58 LYS 9.240 0.239 3 0 "[ . 1 . 2]"
2 59 LEU 7.479 0.165 2 0 "[ . 1 . 2]"
2 60 GLU 4.459 0.165 2 0 "[ . 1 . 2]"
2 61 GLN 12.592 0.221 4 0 "[ . 1 . 2]"
2 62 LEU 10.367 0.221 4 0 "[ . 1 . 2]"
2 63 GLN 14.109 0.257 15 0 "[ . 1 . 2]"
2 64 SER 1.232 0.071 6 0 "[ . 1 . 2]"
2 65 HIS 1.745 0.098 2 0 "[ . 1 . 2]"
2 66 GLU 1.184 0.150 14 0 "[ . 1 . 2]"
2 67 ASN 1.510 0.172 8 0 "[ . 1 . 2]"
2 68 GLU 0.225 0.054 18 0 "[ . 1 . 2]"
2 69 LYS 3.464 0.172 8 0 "[ . 1 . 2]"
2 70 ILE 10.323 0.260 19 0 "[ . 1 . 2]"
2 71 GLN 4.198 0.102 11 0 "[ . 1 . 2]"
2 72 LYS 5.227 0.125 5 0 "[ . 1 . 2]"
2 73 GLU 1.791 0.111 9 0 "[ . 1 . 2]"
2 74 ALA 5.090 0.260 19 0 "[ . 1 . 2]"
2 75 GLN 0.693 0.057 16 0 "[ . 1 . 2]"
2 76 GLU 0.437 0.047 19 0 "[ . 1 . 2]"
2 77 ALA 3.268 0.116 19 0 "[ . 1 . 2]"
2 78 LEU 3.219 0.155 3 0 "[ . 1 . 2]"
2 79 GLU 1.760 0.115 8 0 "[ . 1 . 2]"
2 80 LYS 2.016 0.129 10 0 "[ . 1 . 2]"
2 81 LEU 0.239 0.048 14 0 "[ . 1 . 2]"
2 82 GLN 0.544 0.137 7 0 "[ . 1 . 2]"
2 83 SER 0.320 0.162 2 0 "[ . 1 . 2]"
2 84 HIS 0.396 0.162 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 SER QB 1 13 ASP H 5.500 . 5.500 3.386 1.992 3.968 . 0 0 "[ . 1 . 2]" 1
2 1 23 ARG HA 1 23 ARG QG 3.280 . 3.280 2.451 2.192 3.022 . 0 0 "[ . 1 . 2]" 1
3 1 23 ARG HA 1 24 LYS QE 4.950 . 4.950 4.598 3.862 4.965 0.015 6 0 "[ . 1 . 2]" 1
4 1 23 ARG QB 1 23 ARG QD 3.130 . 3.130 2.215 2.020 2.424 . 0 0 "[ . 1 . 2]" 1
5 1 30 SER H 1 31 ASP H 5.460 . 5.460 2.471 2.129 2.961 . 0 0 "[ . 1 . 2]" 1
6 1 30 SER QB 1 31 ASP H 4.050 . 4.050 2.716 2.295 3.447 . 0 0 "[ . 1 . 2]" 1
7 1 31 ASP H 1 31 ASP QB 3.830 . 3.830 2.985 2.504 3.302 . 0 0 "[ . 1 . 2]" 1
8 1 33 ASN QB 1 34 GLU QB 4.420 . 4.420 3.809 3.237 4.188 . 0 0 "[ . 1 . 2]" 1
9 1 35 GLN H 1 36 ILE H 5.500 . 5.500 2.724 2.337 3.114 . 0 0 "[ . 1 . 2]" 1
10 1 35 GLN H 1 36 ILE QG 5.500 . 5.500 4.109 3.669 5.199 . 0 0 "[ . 1 . 2]" 1
11 1 35 GLN HA 1 38 ALA MB 4.000 . 4.000 3.034 2.323 3.951 . 0 0 "[ . 1 . 2]" 1
12 1 35 GLN QG 1 38 ALA MB 5.500 . 5.500 3.852 2.960 5.173 . 0 0 "[ . 1 . 2]" 1
13 1 36 ILE QG 1 37 GLN H 5.500 . 5.500 3.574 2.098 4.308 . 0 0 "[ . 1 . 2]" 1
14 1 37 GLN H 1 37 GLN HG2 4.850 . 4.850 3.551 2.410 4.741 . 0 0 "[ . 1 . 2]" 1
15 1 37 GLN H 1 37 GLN HG3 4.850 . 4.850 3.029 2.072 4.551 . 0 0 "[ . 1 . 2]" 1
16 1 37 GLN H 1 38 ALA HA 5.380 . 5.380 5.132 4.920 5.386 0.006 20 0 "[ . 1 . 2]" 1
17 1 37 GLN H 1 77 GLN HE21 5.500 . 5.500 4.861 3.726 5.517 0.017 19 0 "[ . 1 . 2]" 1
18 1 37 GLN QB 1 38 ALA H 5.000 . 5.000 2.695 2.280 3.129 . 0 0 "[ . 1 . 2]" 1
19 1 37 GLN QE 1 38 ALA H 5.500 . 5.500 4.950 3.839 5.594 0.094 15 0 "[ . 1 . 2]" 1
20 1 37 GLN HG2 1 77 GLN HE21 4.010 . 4.010 3.323 2.008 4.046 0.036 15 0 "[ . 1 . 2]" 1
21 1 37 GLN HG3 1 38 ALA H 4.820 . 4.820 4.464 4.000 4.924 0.104 1 0 "[ . 1 . 2]" 1
22 1 38 ALA H 1 39 VAL H 5.350 . 5.350 2.548 2.184 2.794 . 0 0 "[ . 1 . 2]" 1
23 1 38 ALA MB 1 39 VAL QG 5.500 . 5.500 3.175 2.755 4.093 . 0 0 "[ . 1 . 2]" 1
24 1 39 VAL HA 1 41 ASP H 4.580 . 4.580 4.268 3.592 4.727 0.147 4 0 "[ . 1 . 2]" 1
25 1 40 ILE H 1 40 ILE QG 4.390 . 4.390 2.676 1.872 4.067 . 0 0 "[ . 1 . 2]" 1
26 1 40 ILE QG 1 41 ASP H 4.540 . 4.540 3.762 2.170 4.261 . 0 0 "[ . 1 . 2]" 1
27 1 42 ALA MB 1 43 GLY H 5.050 . 5.050 3.158 2.675 3.459 . 0 0 "[ . 1 . 2]" 1
28 1 43 GLY H 1 44 ALA MB 5.500 . 5.500 4.024 3.545 5.553 0.053 8 0 "[ . 1 . 2]" 1
29 1 45 LEU H 1 45 LEU MD1 5.500 . 5.500 3.987 3.295 4.289 . 0 0 "[ . 1 . 2]" 1
30 1 45 LEU H 1 47 ALA H 5.490 . 5.490 4.147 3.796 4.539 . 0 0 "[ . 1 . 2]" 1
31 1 45 LEU MD2 1 47 ALA H 5.500 . 5.500 5.328 4.537 5.663 0.163 14 0 "[ . 1 . 2]" 1
32 1 45 LEU MD2 1 80 ALA MB 3.420 . 3.420 2.476 1.890 3.572 0.152 15 0 "[ . 1 . 2]" 1
33 1 45 LEU MD2 1 81 VAL H 5.140 . 5.140 3.375 2.638 4.298 . 0 0 "[ . 1 . 2]" 1
34 1 45 LEU MD2 1 81 VAL HA 3.970 . 3.970 3.296 1.870 4.073 0.103 3 0 "[ . 1 . 2]" 1
35 1 45 LEU MD2 1 81 VAL MG1 5.500 . 5.500 3.870 2.990 5.199 . 0 0 "[ . 1 . 2]" 1
36 1 46 PRO CG 1 46 PRO N 2.340 . 2.340 2.331 2.303 2.348 0.008 7 0 "[ . 1 . 2]" 1
37 1 46 PRO HA 1 49 VAL H 4.690 . 4.690 3.961 3.590 4.398 . 0 0 "[ . 1 . 2]" 1
38 1 46 PRO HA 1 49 VAL MG1 3.760 . 3.760 2.744 2.097 3.557 . 0 0 "[ . 1 . 2]" 1
39 1 46 PRO HA 1 84 ALA MB 3.690 . 3.690 2.586 1.951 3.693 0.003 19 0 "[ . 1 . 2]" 1
40 1 46 PRO QB 1 47 ALA H 4.480 . 4.480 3.218 2.638 3.579 . 0 0 "[ . 1 . 2]" 1
41 1 46 PRO QB 1 84 ALA MB 5.500 . 5.500 2.434 2.014 3.191 . 0 0 "[ . 1 . 2]" 1
42 1 47 ALA H 1 48 LEU H 4.220 . 4.220 2.271 1.915 2.555 . 0 0 "[ . 1 . 2]" 1
43 1 47 ALA H 1 48 LEU QB 4.980 . 4.980 3.885 3.498 4.175 . 0 0 "[ . 1 . 2]" 1
44 1 47 ALA H 1 49 VAL H 5.220 . 5.220 4.111 3.621 4.555 . 0 0 "[ . 1 . 2]" 1
45 1 47 ALA H 1 49 VAL MG1 5.500 . 5.500 4.392 3.986 5.088 . 0 0 "[ . 1 . 2]" 1
46 1 47 ALA H 1 50 GLN H 5.420 . 5.420 4.749 4.318 5.424 0.004 5 0 "[ . 1 . 2]" 1
47 1 47 ALA HA 1 50 GLN H 3.890 . 3.890 3.179 2.998 3.437 . 0 0 "[ . 1 . 2]" 1
48 1 47 ALA MB 1 48 LEU H 3.920 . 3.920 2.785 2.423 3.139 . 0 0 "[ . 1 . 2]" 1
49 1 47 ALA MB 1 50 GLN H 4.350 . 4.350 4.307 4.120 4.393 0.043 3 0 "[ . 1 . 2]" 1
50 1 47 ALA MB 1 50 GLN HB3 4.120 . 4.120 4.066 3.610 4.198 0.078 11 0 "[ . 1 . 2]" 1
51 1 48 LEU H 1 48 LEU QB 3.520 . 3.520 2.142 1.975 2.208 . 0 0 "[ . 1 . 2]" 1
52 1 48 LEU H 1 48 LEU HG 4.270 . 4.270 3.900 2.405 4.382 0.112 18 0 "[ . 1 . 2]" 1
53 1 48 LEU H 1 49 VAL H 4.180 . 4.180 2.718 2.542 2.905 . 0 0 "[ . 1 . 2]" 1
54 1 48 LEU H 1 49 VAL MG1 4.700 . 4.700 4.028 3.755 4.266 . 0 0 "[ . 1 . 2]" 1
55 1 48 LEU H 1 50 GLN H 5.400 . 5.400 3.917 3.569 4.161 . 0 0 "[ . 1 . 2]" 1
56 1 48 LEU H 1 50 GLN HB3 5.350 . 5.350 5.277 4.928 5.466 0.116 2 0 "[ . 1 . 2]" 1
57 1 48 LEU HA 1 51 LEU H 4.280 . 4.280 3.640 3.289 4.091 . 0 0 "[ . 1 . 2]" 1
58 1 48 LEU QB 1 49 VAL H 3.950 . 3.950 2.593 2.268 2.968 . 0 0 "[ . 1 . 2]" 1
59 1 48 LEU QD 1 49 VAL H 5.500 . 5.500 3.951 3.174 4.148 . 0 0 "[ . 1 . 2]" 1
60 1 48 LEU QD 1 81 VAL MG2 5.500 . 5.500 4.086 2.959 5.383 . 0 0 "[ . 1 . 2]" 1
61 1 48 LEU HG 1 49 VAL H 4.660 . 4.660 4.152 3.645 4.694 0.034 3 0 "[ . 1 . 2]" 1
62 1 49 VAL H 1 49 VAL HB 3.790 . 3.790 2.605 2.446 3.662 . 0 0 "[ . 1 . 2]" 1
63 1 49 VAL H 1 49 VAL MG1 3.820 . 3.820 2.136 2.041 2.260 . 0 0 "[ . 1 . 2]" 1
64 1 49 VAL H 1 49 VAL MG2 3.690 . 3.690 3.680 2.379 3.770 0.080 7 0 "[ . 1 . 2]" 1
65 1 49 VAL H 1 50 GLN H 3.940 . 3.940 2.468 2.404 2.588 . 0 0 "[ . 1 . 2]" 1
66 1 49 VAL H 1 50 GLN QG 5.290 . 5.290 4.744 4.312 5.071 . 0 0 "[ . 1 . 2]" 1
67 1 49 VAL H 1 51 LEU H 5.500 . 5.500 3.991 3.812 4.189 . 0 0 "[ . 1 . 2]" 1
68 1 49 VAL H 1 52 LEU H 5.440 . 5.440 5.068 4.840 5.382 . 0 0 "[ . 1 . 2]" 1
69 1 49 VAL H 1 86 ALA MB 5.500 . 5.500 5.433 5.147 5.558 0.058 11 0 "[ . 1 . 2]" 1
70 1 49 VAL HA 1 49 VAL MG1 3.290 . 3.290 3.204 2.490 3.254 . 0 0 "[ . 1 . 2]" 1
71 1 49 VAL HA 1 51 LEU H 4.110 . 4.110 3.976 3.648 4.118 0.008 19 0 "[ . 1 . 2]" 1
72 1 49 VAL HA 1 53 SER H 5.500 . 5.500 5.437 4.878 5.600 0.100 20 0 "[ . 1 . 2]" 1
73 1 49 VAL HA 1 67 LEU QD 3.480 . 3.480 2.411 2.053 3.104 . 0 0 "[ . 1 . 2]" 1
74 1 49 VAL HA 1 67 LEU HG 4.400 . 4.400 4.020 2.556 4.564 0.164 16 0 "[ . 1 . 2]" 1
75 1 49 VAL HA 1 86 ALA MB 5.500 . 5.500 4.981 4.734 5.326 . 0 0 "[ . 1 . 2]" 1
76 1 49 VAL HA 1 89 ALA MB 5.500 . 5.500 4.393 3.981 5.106 . 0 0 "[ . 1 . 2]" 1
77 1 49 VAL HB 1 50 GLN H 4.040 . 4.040 4.074 4.049 4.146 0.106 5 0 "[ . 1 . 2]" 1
78 1 49 VAL HB 1 86 ALA HA 4.330 . 4.330 3.980 3.063 4.379 0.049 8 0 "[ . 1 . 2]" 1
79 1 49 VAL MG1 1 50 GLN H 3.970 . 3.970 2.572 2.335 3.904 . 0 0 "[ . 1 . 2]" 1
80 1 49 VAL MG1 1 50 GLN HA 5.500 . 5.500 3.446 3.248 5.444 . 0 0 "[ . 1 . 2]" 1
81 1 49 VAL MG1 1 86 ALA HA 3.170 . 3.170 2.915 2.122 3.254 0.084 1 0 "[ . 1 . 2]" 1
82 1 49 VAL MG1 1 89 ALA MB 4.760 . 4.760 3.631 2.989 4.242 . 0 0 "[ . 1 . 2]" 1
83 1 49 VAL MG2 1 50 GLN H 4.100 . 4.100 3.860 2.632 4.056 . 0 0 "[ . 1 . 2]" 1
84 1 49 VAL MG2 1 52 LEU HG 3.900 . 3.900 3.710 3.321 4.040 0.140 5 0 "[ . 1 . 2]" 1
85 1 49 VAL MG2 1 86 ALA HA 3.270 . 3.270 1.982 1.754 2.801 . 0 0 "[ . 1 . 2]" 1
86 1 49 VAL MG2 1 86 ALA MB 3.060 . 3.060 2.292 1.935 3.097 0.037 5 0 "[ . 1 . 2]" 1
87 1 50 GLN H 1 50 GLN HB3 2.920 . 2.920 2.376 2.121 3.138 0.218 2 0 "[ . 1 . 2]" 1
88 1 50 GLN H 1 50 GLN QG 3.180 . 3.180 2.875 2.674 3.128 . 0 0 "[ . 1 . 2]" 1
89 1 50 GLN H 1 51 LEU H 3.910 . 3.910 2.391 2.182 2.626 . 0 0 "[ . 1 . 2]" 1
90 1 50 GLN HA 1 50 GLN HB2 2.820 . 2.820 2.418 2.302 2.815 . 0 0 "[ . 1 . 2]" 1
91 1 50 GLN HA 1 51 LEU HB2 5.500 . 5.500 5.501 5.411 5.535 0.035 17 0 "[ . 1 . 2]" 1
92 1 50 GLN HB2 1 53 SER H 5.500 . 5.500 5.376 5.090 5.578 0.078 9 0 "[ . 1 . 2]" 1
93 1 50 GLN HB3 1 51 LEU H 3.450 . 3.450 3.468 2.942 3.578 0.128 5 0 "[ . 1 . 2]" 1
94 1 51 LEU H 1 51 LEU HB2 3.380 . 3.380 2.189 2.103 2.322 . 0 0 "[ . 1 . 2]" 1
95 1 51 LEU H 1 51 LEU HB3 3.450 . 3.450 3.089 2.529 3.508 0.058 1 0 "[ . 1 . 2]" 1
96 1 51 LEU H 1 51 LEU QD 3.820 . 3.820 3.035 2.209 3.605 . 0 0 "[ . 1 . 2]" 1
97 1 51 LEU H 1 52 LEU HG 5.390 . 5.390 4.264 3.671 5.443 0.053 3 0 "[ . 1 . 2]" 1
98 1 51 LEU HA 1 51 LEU QD 3.040 . 3.040 1.979 1.888 2.076 . 0 0 "[ . 1 . 2]" 1
99 1 51 LEU HA 1 53 SER H 4.100 . 4.100 3.675 3.411 3.889 . 0 0 "[ . 1 . 2]" 1
100 1 51 LEU HB2 1 51 LEU QD 3.090 . 3.090 2.339 2.256 2.392 . 0 0 "[ . 1 . 2]" 1
101 1 51 LEU HB3 1 52 LEU H 3.500 . 3.500 3.122 2.618 3.564 0.064 1 0 "[ . 1 . 2]" 1
102 1 51 LEU HB3 1 53 SER H 4.740 . 4.740 4.800 4.751 4.887 0.147 5 0 "[ . 1 . 2]" 1
103 1 51 LEU QD 1 59 ILE MG 5.500 . 5.500 2.125 1.910 3.142 . 0 0 "[ . 1 . 2]" 1
104 1 51 LEU HG 1 59 ILE MG 5.500 . 5.500 3.816 2.633 4.578 . 0 0 "[ . 1 . 2]" 1
105 1 52 LEU H 1 52 LEU HB3 3.840 . 3.840 3.529 2.806 3.638 . 0 0 "[ . 1 . 2]" 1
106 1 52 LEU H 1 52 LEU QD 3.550 . 3.550 2.845 1.608 3.167 . 0 0 "[ . 1 . 2]" 1
107 1 52 LEU H 1 52 LEU HG 3.320 . 3.320 2.410 2.140 3.161 . 0 0 "[ . 1 . 2]" 1
108 1 52 LEU H 1 53 SER HA 5.470 . 5.470 5.046 4.892 5.212 . 0 0 "[ . 1 . 2]" 1
109 1 52 LEU QD 1 54 SER H 5.000 . 5.000 4.745 4.556 4.877 . 0 0 "[ . 1 . 2]" 1
110 1 53 SER H 1 53 SER QB 3.360 . 3.360 2.513 2.277 2.920 . 0 0 "[ . 1 . 2]" 1
111 1 53 SER H 1 53 SER HB3 3.430 . 3.430 3.098 2.493 3.534 0.104 12 0 "[ . 1 . 2]" 1
112 1 53 SER H 1 54 SER H 3.280 . 3.280 2.539 2.324 2.765 . 0 0 "[ . 1 . 2]" 1
113 1 53 SER HA 1 53 SER QB 2.630 . 2.630 2.264 2.124 2.412 . 0 0 "[ . 1 . 2]" 1
114 1 53 SER HA 1 92 GLN HE21 5.500 . 5.500 3.473 2.590 5.167 . 0 0 "[ . 1 . 2]" 1
115 1 53 SER HA 1 93 LEU HG 4.480 . 4.480 4.197 3.528 4.578 0.098 18 0 "[ . 1 . 2]" 1
116 1 53 SER HB2 1 93 LEU QD 5.500 . 5.500 4.583 3.693 5.086 . 0 0 "[ . 1 . 2]" 1
117 1 53 SER HB3 1 54 SER H 4.370 . 4.370 4.228 3.520 4.465 0.095 5 0 "[ . 1 . 2]" 1
118 1 53 SER HB3 1 92 GLN HE21 5.500 . 5.500 4.253 2.831 5.535 0.035 17 0 "[ . 1 . 2]" 1
119 1 53 SER HB3 1 92 GLN HE22 5.300 . 5.300 3.568 2.491 5.292 . 0 0 "[ . 1 . 2]" 1
120 1 53 SER HB3 1 93 LEU QD 5.070 . 5.070 4.307 3.300 4.712 . 0 0 "[ . 1 . 2]" 1
121 1 54 SER H 1 54 SER HB2 3.630 . 3.630 3.143 2.317 3.677 0.047 11 0 "[ . 1 . 2]" 1
122 1 54 SER H 1 54 SER HB3 3.420 . 3.420 3.116 2.692 3.531 0.111 5 0 "[ . 1 . 2]" 1
123 1 56 ASN H 1 56 ASN HB2 4.120 . 4.120 2.559 2.367 3.150 . 0 0 "[ . 1 . 2]" 1
124 1 56 ASN H 1 59 ILE H 5.500 . 5.500 4.878 4.401 5.361 . 0 0 "[ . 1 . 2]" 1
125 1 56 ASN H 1 59 ILE MD 4.090 . 4.090 3.976 3.492 4.212 0.122 11 0 "[ . 1 . 2]" 1
126 1 56 ASN HA 1 56 ASN HD21 4.350 . 4.350 3.784 2.876 4.324 . 0 0 "[ . 1 . 2]" 1
127 1 56 ASN HA 1 57 GLU H 3.250 . 3.250 2.024 1.956 2.077 . 0 0 "[ . 1 . 2]" 1
128 1 56 ASN HA 1 57 GLU HA 4.690 . 4.690 4.312 4.210 4.377 . 0 0 "[ . 1 . 2]" 1
129 1 56 ASN HA 1 57 GLU QB 4.160 . 4.160 4.238 4.186 4.270 0.110 17 0 "[ . 1 . 2]" 1
130 1 56 ASN HA 1 57 GLU HG3 4.820 . 4.820 4.700 3.901 4.856 0.036 9 0 "[ . 1 . 2]" 1
131 1 56 ASN HA 1 58 GLN H 3.790 . 3.790 3.685 3.399 3.873 0.083 14 0 "[ . 1 . 2]" 1
132 1 56 ASN HA 1 59 ILE H 4.530 . 4.530 4.316 4.154 4.532 0.002 13 0 "[ . 1 . 2]" 1
133 1 56 ASN HA 1 59 ILE HB 4.920 . 4.920 4.865 4.652 4.973 0.053 2 0 "[ . 1 . 2]" 1
134 1 56 ASN HA 1 59 ILE MD 4.630 . 4.630 4.622 4.453 4.671 0.041 12 0 "[ . 1 . 2]" 1
135 1 56 ASN HB2 1 59 ILE H 4.360 . 4.360 3.359 2.834 3.819 . 0 0 "[ . 1 . 2]" 1
136 1 56 ASN HB2 1 59 ILE HA 5.500 . 5.500 5.163 4.715 5.665 0.165 6 0 "[ . 1 . 2]" 1
137 1 56 ASN HB2 1 59 ILE HB 4.490 . 4.490 2.593 1.947 3.382 . 0 0 "[ . 1 . 2]" 1
138 1 56 ASN HB2 1 59 ILE MD 4.730 . 4.730 2.099 1.970 2.331 . 0 0 "[ . 1 . 2]" 1
139 1 56 ASN HB3 1 58 GLN H 5.380 . 5.380 3.254 2.793 3.675 . 0 0 "[ . 1 . 2]" 1
140 1 56 ASN HB3 1 59 ILE H 4.820 . 4.820 2.554 2.114 2.888 . 0 0 "[ . 1 . 2]" 1
141 1 56 ASN HB3 1 59 ILE MD 4.320 . 4.320 2.803 2.439 3.178 . 0 0 "[ . 1 . 2]" 1
142 1 56 ASN HB3 1 59 ILE HG12 4.340 . 4.340 4.135 3.713 4.349 0.009 14 0 "[ . 1 . 2]" 1
143 1 56 ASN HB3 1 59 ILE MG 5.410 . 5.410 4.418 3.585 4.881 . 0 0 "[ . 1 . 2]" 1
144 1 56 ASN HB3 1 60 LEU H 5.500 . 5.500 4.059 3.147 4.835 . 0 0 "[ . 1 . 2]" 1
145 1 56 ASN HD21 1 58 GLN HE21 5.500 . 5.500 5.193 4.452 5.614 0.114 4 0 "[ . 1 . 2]" 1
146 1 56 ASN HD21 1 59 ILE H 4.530 . 4.530 4.329 3.592 4.629 0.099 2 0 "[ . 1 . 2]" 1
147 1 56 ASN HD21 1 59 ILE MD 5.500 . 5.500 2.861 1.679 4.241 . 0 0 "[ . 1 . 2]" 1
148 1 57 GLU H 1 57 GLU QB 3.850 . 3.850 2.395 2.327 2.474 . 0 0 "[ . 1 . 2]" 1
149 1 57 GLU H 1 57 GLU HG3 4.560 . 4.560 3.078 2.377 3.291 . 0 0 "[ . 1 . 2]" 1
150 1 57 GLU H 1 58 GLN H 5.500 . 5.500 2.810 2.632 3.028 . 0 0 "[ . 1 . 2]" 1
151 1 57 GLU H 1 60 LEU QD 5.500 . 5.500 4.303 3.581 5.262 . 0 0 "[ . 1 . 2]" 1
152 1 57 GLU HA 1 59 ILE H 5.380 . 5.380 4.372 3.867 4.612 . 0 0 "[ . 1 . 2]" 1
153 1 57 GLU QB 1 57 GLU HG3 2.680 . 2.680 2.409 2.371 2.502 . 0 0 "[ . 1 . 2]" 1
154 1 57 GLU QB 1 60 LEU HB3 5.500 . 5.500 4.451 3.846 5.162 . 0 0 "[ . 1 . 2]" 1
155 1 57 GLU HG2 1 58 GLN H 4.700 . 4.700 3.020 2.654 3.961 . 0 0 "[ . 1 . 2]" 1
156 1 57 GLU HG3 1 58 GLN H 3.600 . 3.600 2.278 2.033 2.594 . 0 0 "[ . 1 . 2]" 1
157 1 57 GLU HG3 1 58 GLN HA 5.500 . 5.500 3.498 3.260 4.057 . 0 0 "[ . 1 . 2]" 1
158 1 57 GLU HG3 1 58 GLN HG3 5.500 . 5.500 5.331 5.007 5.550 0.050 4 0 "[ . 1 . 2]" 1
159 1 57 GLU HG3 1 59 ILE H 5.230 . 5.230 4.729 4.511 5.043 . 0 0 "[ . 1 . 2]" 1
160 1 58 GLN H 1 58 GLN HG2 3.850 . 3.850 3.927 2.325 4.049 0.199 18 0 "[ . 1 . 2]" 1
161 1 58 GLN H 1 58 GLN HG3 4.450 . 4.450 4.320 3.544 4.451 0.001 8 0 "[ . 1 . 2]" 1
162 1 58 GLN H 1 59 ILE H 4.170 . 4.170 2.529 2.372 2.720 . 0 0 "[ . 1 . 2]" 1
163 1 58 GLN H 1 59 ILE HA 5.480 . 5.480 5.147 5.002 5.282 . 0 0 "[ . 1 . 2]" 1
164 1 58 GLN QB 1 60 LEU H 5.230 . 5.230 4.706 4.488 4.970 . 0 0 "[ . 1 . 2]" 1
165 1 58 GLN HG2 1 59 ILE HA 4.290 . 4.290 3.604 3.226 4.354 0.064 2 0 "[ . 1 . 2]" 1
166 1 59 ILE H 1 59 ILE HB 3.860 . 3.860 2.491 2.381 2.578 . 0 0 "[ . 1 . 2]" 1
167 1 59 ILE H 1 59 ILE MD 4.100 . 4.100 3.668 3.511 3.796 . 0 0 "[ . 1 . 2]" 1
168 1 59 ILE H 1 59 ILE HG13 4.450 . 4.450 2.284 2.067 2.501 . 0 0 "[ . 1 . 2]" 1
169 1 59 ILE H 1 60 LEU H 4.180 . 4.180 2.442 2.215 2.632 . 0 0 "[ . 1 . 2]" 1
170 1 59 ILE HA 1 59 ILE MD 4.300 . 4.300 3.849 3.793 3.887 . 0 0 "[ . 1 . 2]" 1
171 1 59 ILE HA 1 59 ILE MG 3.670 . 3.670 2.455 2.388 2.520 . 0 0 "[ . 1 . 2]" 1
172 1 60 LEU H 1 60 LEU HB3 4.150 . 4.150 2.881 2.280 3.588 . 0 0 "[ . 1 . 2]" 1
173 1 60 LEU H 1 60 LEU QD 3.930 . 3.930 3.019 2.161 3.598 . 0 0 "[ . 1 . 2]" 1
174 1 60 LEU HA 1 64 LEU H 3.950 . 3.950 3.830 3.519 3.970 0.020 20 0 "[ . 1 . 2]" 1
175 1 60 LEU HB2 1 61 GLN H 4.050 . 4.050 3.128 2.377 3.799 . 0 0 "[ . 1 . 2]" 1
176 1 60 LEU HB2 1 61 GLN HA 5.350 . 5.350 5.104 4.580 5.473 0.123 6 0 "[ . 1 . 2]" 1
177 1 60 LEU HB2 1 101 ILE MD 5.500 . 5.500 3.771 2.303 4.962 . 0 0 "[ . 1 . 2]" 1
178 1 60 LEU HB2 1 101 ILE MG 5.500 . 5.500 4.623 3.418 5.239 . 0 0 "[ . 1 . 2]" 1
179 1 60 LEU QD 1 61 GLN H 4.080 . 4.080 3.495 2.621 3.822 . 0 0 "[ . 1 . 2]" 1
180 1 61 GLN H 1 61 GLN HE21 5.500 . 5.500 5.316 5.044 5.476 . 0 0 "[ . 1 . 2]" 1
181 1 61 GLN H 1 61 GLN HG2 5.500 . 5.500 3.457 3.094 3.664 . 0 0 "[ . 1 . 2]" 1
182 1 61 GLN H 1 61 GLN HG3 3.480 . 3.480 2.328 2.031 2.580 . 0 0 "[ . 1 . 2]" 1
183 1 61 GLN H 1 101 ILE MD 5.500 . 5.500 4.189 3.480 4.823 . 0 0 "[ . 1 . 2]" 1
184 1 61 GLN H 1 101 ILE MG 5.240 . 5.240 5.117 4.523 5.303 0.063 19 0 "[ . 1 . 2]" 1
185 1 61 GLN HA 1 61 GLN HE21 5.500 . 5.500 4.144 3.892 4.406 . 0 0 "[ . 1 . 2]" 1
186 1 61 GLN HA 1 61 GLN HE22 5.500 . 5.500 5.507 5.356 5.611 0.111 10 0 "[ . 1 . 2]" 1
187 1 61 GLN HA 1 61 GLN HG2 3.760 . 3.760 2.441 2.309 2.536 . 0 0 "[ . 1 . 2]" 1
188 1 61 GLN HA 1 61 GLN HG3 3.650 . 3.650 3.030 2.751 3.303 . 0 0 "[ . 1 . 2]" 1
189 1 61 GLN HA 1 64 LEU H 4.800 . 4.800 3.432 3.165 3.753 . 0 0 "[ . 1 . 2]" 1
190 1 61 GLN HA 1 65 TRP H 5.090 . 5.090 3.760 3.585 3.979 . 0 0 "[ . 1 . 2]" 1
191 1 61 GLN HA 1 65 TRP HA 5.500 . 5.500 5.557 5.405 5.606 0.106 10 0 "[ . 1 . 2]" 1
192 1 61 GLN HA 1 101 ILE MD 5.340 . 5.340 5.031 4.473 5.244 . 0 0 "[ . 1 . 2]" 1
193 1 61 GLN QB 1 101 ILE MD 5.500 . 5.500 4.535 4.208 4.778 . 0 0 "[ . 1 . 2]" 1
194 1 61 GLN HE21 1 100 GLN HB2 5.250 . 5.250 3.795 3.138 4.989 . 0 0 "[ . 1 . 2]" 1
195 1 61 GLN HE21 1 100 GLN HE21 5.500 . 5.500 4.069 3.025 5.456 . 0 0 "[ . 1 . 2]" 1
196 1 61 GLN HE21 1 100 GLN HG3 4.860 . 4.860 3.381 2.938 4.614 . 0 0 "[ . 1 . 2]" 1
197 1 61 GLN HE21 1 101 ILE MD 5.500 . 5.500 4.587 3.587 5.232 . 0 0 "[ . 1 . 2]" 1
198 1 61 GLN HE22 1 100 GLN HB2 4.760 . 4.760 3.269 2.205 4.703 . 0 0 "[ . 1 . 2]" 1
199 1 61 GLN HE22 1 100 GLN HE22 5.500 . 5.500 3.105 2.122 3.746 . 0 0 "[ . 1 . 2]" 1
200 1 61 GLN HE22 1 100 GLN QG 5.500 . 5.500 2.715 1.971 3.826 . 0 0 "[ . 1 . 2]" 1
201 1 61 GLN HE22 1 100 GLN HG3 4.690 . 4.690 2.756 1.981 3.930 . 0 0 "[ . 1 . 2]" 1
202 1 61 GLN HE22 1 101 ILE MD 5.500 . 5.500 4.711 3.584 5.395 . 0 0 "[ . 1 . 2]" 1
203 1 61 GLN HG2 1 100 GLN QG 5.500 . 5.500 4.432 3.839 5.098 . 0 0 "[ . 1 . 2]" 1
204 1 61 GLN HG2 1 101 ILE HA 4.620 . 4.620 3.572 2.855 4.204 . 0 0 "[ . 1 . 2]" 1
205 1 61 GLN HG2 1 101 ILE MD 5.500 . 5.500 3.688 2.772 4.087 . 0 0 "[ . 1 . 2]" 1
206 1 61 GLN HG2 1 101 ILE QG 4.660 . 4.660 2.564 2.186 3.052 . 0 0 "[ . 1 . 2]" 1
207 1 61 GLN HG2 1 101 ILE MG 5.080 . 5.080 3.814 3.099 4.350 . 0 0 "[ . 1 . 2]" 1
208 1 61 GLN HG3 1 101 ILE MD 5.450 . 5.450 2.963 2.668 3.214 . 0 0 "[ . 1 . 2]" 1
209 1 62 GLU H 1 63 ALA H 3.890 . 3.890 2.597 2.430 2.723 . 0 0 "[ . 1 . 2]" 1
210 1 62 GLU H 1 65 TRP H 5.480 . 5.480 4.656 4.547 4.803 . 0 0 "[ . 1 . 2]" 1
211 1 62 GLU HA 1 62 GLU HG2 3.740 . 3.740 2.683 2.382 3.067 . 0 0 "[ . 1 . 2]" 1
212 1 62 GLU HA 1 62 GLU HG3 3.820 . 3.820 3.424 2.577 3.773 . 0 0 "[ . 1 . 2]" 1
213 1 62 GLU HA 1 64 LEU H 5.500 . 5.500 4.581 4.362 4.713 . 0 0 "[ . 1 . 2]" 1
214 1 62 GLU HA 1 65 TRP H 4.090 . 4.090 3.840 3.451 4.099 0.009 12 0 "[ . 1 . 2]" 1
215 1 62 GLU HA 1 66 ALA H 5.470 . 5.470 4.925 4.330 5.448 . 0 0 "[ . 1 . 2]" 1
216 1 62 GLU QB 1 62 GLU HG3 2.400 . 2.400 2.191 2.129 2.311 . 0 0 "[ . 1 . 2]" 1
217 1 62 GLU QB 1 63 ALA H 4.280 . 4.280 2.442 2.182 2.850 . 0 0 "[ . 1 . 2]" 1
218 1 62 GLU HG2 1 63 ALA H 5.370 . 5.370 4.560 3.677 5.063 . 0 0 "[ . 1 . 2]" 1
219 1 63 ALA H 1 64 LEU H 4.040 . 4.040 2.502 2.362 2.647 . 0 0 "[ . 1 . 2]" 1
220 1 63 ALA H 1 64 LEU HB2 4.950 . 4.950 4.676 4.331 4.933 . 0 0 "[ . 1 . 2]" 1
221 1 63 ALA H 1 65 TRP H 5.260 . 5.260 4.028 3.853 4.156 . 0 0 "[ . 1 . 2]" 1
222 1 63 ALA HA 1 65 TRP H 4.070 . 4.070 4.097 4.035 4.126 0.056 13 0 "[ . 1 . 2]" 1
223 1 63 ALA MB 1 64 LEU H 4.200 . 4.200 2.704 2.555 2.936 . 0 0 "[ . 1 . 2]" 1
224 1 64 LEU H 1 64 LEU HB2 3.640 . 3.640 2.398 2.198 2.517 . 0 0 "[ . 1 . 2]" 1
225 1 64 LEU H 1 64 LEU MD1 4.410 . 4.410 4.050 3.476 4.187 . 0 0 "[ . 1 . 2]" 1
226 1 64 LEU H 1 65 TRP H 3.900 . 3.900 2.630 2.529 2.765 . 0 0 "[ . 1 . 2]" 1
227 1 64 LEU HA 1 64 LEU MD2 3.750 . 3.750 3.261 2.116 3.828 0.078 3 0 "[ . 1 . 2]" 1
228 1 64 LEU HB2 1 65 TRP H 4.040 . 4.040 3.715 2.642 4.004 . 0 0 "[ . 1 . 2]" 1
229 1 64 LEU HB3 1 104 GLU QB 5.500 . 5.500 3.712 2.137 4.305 . 0 0 "[ . 1 . 2]" 1
230 1 64 LEU QD 1 104 GLU HG2 4.730 . 4.730 3.563 2.951 4.194 . 0 0 "[ . 1 . 2]" 1
231 1 64 LEU QD 1 104 GLU HG3 4.140 . 4.140 3.857 3.331 4.142 0.002 4 0 "[ . 1 . 2]" 1
232 1 64 LEU QD 1 105 ALA HA 3.360 . 3.360 2.566 2.130 2.969 . 0 0 "[ . 1 . 2]" 1
233 1 64 LEU MD1 1 65 TRP H 4.540 . 4.540 4.554 4.445 4.642 0.102 20 0 "[ . 1 . 2]" 1
234 1 64 LEU MD2 1 65 TRP H 5.110 . 5.110 3.840 3.201 4.594 . 0 0 "[ . 1 . 2]" 1
235 1 64 LEU MD2 1 65 TRP HA 4.900 . 4.900 3.806 2.706 5.009 0.109 9 0 "[ . 1 . 2]" 1
236 1 64 LEU MD2 1 101 ILE MG 5.500 . 5.500 3.915 2.298 4.944 . 0 0 "[ . 1 . 2]" 1
237 1 64 LEU MD2 1 104 GLU H 5.500 . 5.500 4.404 3.926 4.758 . 0 0 "[ . 1 . 2]" 1
238 1 64 LEU MD2 1 104 GLU QB 4.840 . 4.840 1.885 1.757 2.107 . 0 0 "[ . 1 . 2]" 1
239 1 64 LEU MD2 1 104 GLU HG3 4.130 . 4.130 4.151 3.563 4.257 0.127 9 0 "[ . 1 . 2]" 1
240 1 64 LEU MD2 1 105 ALA H 4.000 . 4.000 3.467 2.731 4.032 0.032 19 0 "[ . 1 . 2]" 1
241 1 64 LEU MD2 1 105 ALA MB 5.500 . 5.500 3.809 3.002 4.542 . 0 0 "[ . 1 . 2]" 1
242 1 65 TRP H 1 66 ALA H 3.840 . 3.840 2.705 2.598 2.925 . 0 0 "[ . 1 . 2]" 1
243 1 65 TRP H 1 67 LEU H 4.930 . 4.930 4.113 3.951 4.318 . 0 0 "[ . 1 . 2]" 1
244 1 65 TRP HA 1 67 LEU H 5.500 . 5.500 4.450 3.993 4.644 . 0 0 "[ . 1 . 2]" 1
245 1 65 TRP HE1 1 66 ALA HA 5.380 . 5.380 5.357 4.814 5.488 0.108 11 0 "[ . 1 . 2]" 1
246 1 65 TRP HE1 1 69 ASN HB2 5.500 . 5.500 4.262 3.367 5.446 . 0 0 "[ . 1 . 2]" 1
247 1 66 ALA H 1 66 ALA MB 3.510 . 3.510 2.249 2.220 2.267 . 0 0 "[ . 1 . 2]" 1
248 1 66 ALA H 1 67 LEU H 4.050 . 4.050 2.615 2.455 2.735 . 0 0 "[ . 1 . 2]" 1
249 1 66 ALA HA 1 69 ASN HB2 3.740 . 3.740 3.166 2.714 3.744 0.004 9 0 "[ . 1 . 2]" 1
250 1 66 ALA MB 1 67 LEU H 3.830 . 3.830 2.581 2.406 2.761 . 0 0 "[ . 1 . 2]" 1
251 1 66 ALA MB 1 70 ILE H 5.260 . 5.260 4.447 4.177 4.822 . 0 0 "[ . 1 . 2]" 1
252 1 67 LEU H 1 67 LEU HB3 3.910 . 3.910 3.424 2.592 3.668 . 0 0 "[ . 1 . 2]" 1
253 1 67 LEU H 1 67 LEU QD 4.260 . 4.260 2.519 2.054 3.637 . 0 0 "[ . 1 . 2]" 1
254 1 67 LEU H 1 67 LEU HG 4.900 . 4.900 3.995 3.582 4.581 . 0 0 "[ . 1 . 2]" 1
255 1 67 LEU H 1 68 SER H 4.150 . 4.150 2.717 2.495 2.950 . 0 0 "[ . 1 . 2]" 1
256 1 67 LEU H 1 69 ASN H 5.080 . 5.080 4.000 3.740 4.282 . 0 0 "[ . 1 . 2]" 1
257 1 67 LEU HA 1 67 LEU QD 2.990 . 2.990 2.346 1.959 2.858 . 0 0 "[ . 1 . 2]" 1
258 1 67 LEU HB2 1 67 LEU QD 3.270 . 3.270 2.206 2.104 2.390 . 0 0 "[ . 1 . 2]" 1
259 1 67 LEU HB2 1 68 SER H 3.630 . 3.630 2.749 2.430 3.674 0.044 16 0 "[ . 1 . 2]" 1
260 1 67 LEU HB3 1 67 LEU QD 3.210 . 3.210 2.240 2.152 2.357 . 0 0 "[ . 1 . 2]" 1
261 1 67 LEU HB3 1 68 SER H 3.760 . 3.760 2.981 2.388 3.336 . 0 0 "[ . 1 . 2]" 1
262 1 67 LEU HB3 1 68 SER HA 4.410 . 4.410 4.039 3.753 4.230 . 0 0 "[ . 1 . 2]" 1
263 1 67 LEU HG 1 68 SER H 4.710 . 4.710 4.768 4.427 4.841 0.131 13 0 "[ . 1 . 2]" 1
264 1 68 SER H 1 68 SER QB 3.270 . 3.270 2.434 2.236 2.625 . 0 0 "[ . 1 . 2]" 1
265 1 68 SER H 1 69 ASN H 3.870 . 3.870 2.704 2.513 2.903 . 0 0 "[ . 1 . 2]" 1
266 1 68 SER H 1 69 ASN QB 4.650 . 4.650 4.439 4.216 4.648 . 0 0 "[ . 1 . 2]" 1
267 1 68 SER HA 1 71 ALA MB 4.280 . 4.280 2.174 1.870 2.564 . 0 0 "[ . 1 . 2]" 1
268 1 68 SER HA 1 111 ASN HB3 4.240 . 4.240 4.269 4.047 4.387 0.147 14 0 "[ . 1 . 2]" 1
269 1 68 SER HA 1 111 ASN QD 5.500 . 5.500 3.096 2.337 3.682 . 0 0 "[ . 1 . 2]" 1
270 1 69 ASN H 1 69 ASN HB2 3.510 . 3.510 2.592 2.413 2.757 . 0 0 "[ . 1 . 2]" 1
271 1 69 ASN H 1 69 ASN QB 3.320 . 3.320 2.253 2.116 2.330 . 0 0 "[ . 1 . 2]" 1
272 1 69 ASN H 1 69 ASN HB3 3.610 . 3.610 2.498 2.199 2.683 . 0 0 "[ . 1 . 2]" 1
273 1 69 ASN H 1 70 ILE H 4.000 . 4.000 2.627 2.456 2.838 . 0 0 "[ . 1 . 2]" 1
274 1 69 ASN H 1 71 ALA H 5.040 . 5.040 3.864 3.693 4.123 . 0 0 "[ . 1 . 2]" 1
275 1 69 ASN H 1 111 ASN QD 5.060 . 5.060 5.025 4.800 5.107 0.047 13 0 "[ . 1 . 2]" 1
276 1 69 ASN QB 1 70 ILE H 4.140 . 4.140 2.477 2.192 2.782 . 0 0 "[ . 1 . 2]" 1
277 1 69 ASN HB3 1 70 ILE H 4.840 . 4.840 2.510 2.212 2.830 . 0 0 "[ . 1 . 2]" 1
278 1 69 ASN HB3 1 70 ILE HA 5.500 . 5.500 4.419 4.196 4.816 . 0 0 "[ . 1 . 2]" 1
279 1 69 ASN HD21 1 70 ILE MD 5.450 . 5.450 3.516 2.042 5.477 0.027 9 0 "[ . 1 . 2]" 1
280 1 69 ASN HD22 1 70 ILE H 5.500 . 5.500 5.047 4.411 5.526 0.026 9 0 "[ . 1 . 2]" 1
281 1 69 ASN HD22 1 70 ILE MD 5.500 . 5.500 4.107 2.989 5.357 . 0 0 "[ . 1 . 2]" 1
282 1 70 ILE H 1 70 ILE MG 4.020 . 4.020 3.750 3.645 3.800 . 0 0 "[ . 1 . 2]" 1
283 1 70 ILE H 1 71 ALA H 3.860 . 3.860 2.566 2.419 2.659 . 0 0 "[ . 1 . 2]" 1
284 1 70 ILE H 1 71 ALA MB 4.950 . 4.950 4.159 4.005 4.276 . 0 0 "[ . 1 . 2]" 1
285 1 70 ILE H 1 72 SER H 4.800 . 4.800 4.038 3.933 4.269 . 0 0 "[ . 1 . 2]" 1
286 1 70 ILE HA 1 70 ILE MD 3.960 . 3.960 2.085 2.007 2.480 . 0 0 "[ . 1 . 2]" 1
287 1 70 ILE HA 1 72 SER H 5.250 . 5.250 3.999 3.678 4.198 . 0 0 "[ . 1 . 2]" 1
288 1 70 ILE HA 1 73 GLY QA 3.440 . 3.440 3.256 2.868 3.405 . 0 0 "[ . 1 . 2]" 1
289 1 70 ILE HA 1 77 GLN HE21 5.420 . 5.420 4.583 2.730 5.440 0.020 15 0 "[ . 1 . 2]" 1
290 1 70 ILE HA 1 77 GLN HE22 5.500 . 5.500 4.496 3.595 5.595 0.095 4 0 "[ . 1 . 2]" 1
291 1 70 ILE HA 1 77 GLN HG3 3.800 . 3.800 3.655 3.210 3.873 0.073 6 0 "[ . 1 . 2]" 1
292 1 70 ILE HB 1 77 GLN HG3 5.220 . 5.220 4.865 4.409 5.383 0.163 3 0 "[ . 1 . 2]" 1
293 1 70 ILE MD 1 72 SER H 5.500 . 5.500 5.412 5.224 5.530 0.030 14 0 "[ . 1 . 2]" 1
294 1 70 ILE MD 1 77 GLN HG3 4.370 . 4.370 3.785 2.984 4.425 0.055 18 0 "[ . 1 . 2]" 1
295 1 70 ILE MG 1 71 ALA H 4.260 . 4.260 3.352 2.870 3.556 . 0 0 "[ . 1 . 2]" 1
296 1 70 ILE MG 1 71 ALA HA 4.050 . 4.050 3.402 2.999 3.530 . 0 0 "[ . 1 . 2]" 1
297 1 70 ILE MG 1 72 SER H 5.110 . 5.110 4.782 4.500 4.919 . 0 0 "[ . 1 . 2]" 1
298 1 70 ILE MG 1 73 GLY H 5.070 . 5.070 4.215 3.936 4.329 . 0 0 "[ . 1 . 2]" 1
299 1 70 ILE MG 1 74 GLY H 5.160 . 5.160 4.571 4.200 4.888 . 0 0 "[ . 1 . 2]" 1
300 1 70 ILE MG 1 77 GLN HA 4.880 . 4.880 3.947 3.225 4.666 . 0 0 "[ . 1 . 2]" 1
301 1 70 ILE MG 1 77 GLN QB 4.500 . 4.500 2.948 1.718 3.821 . 0 0 "[ . 1 . 2]" 1
302 1 70 ILE MG 1 77 GLN HE21 5.280 . 5.280 4.165 2.223 4.700 . 0 0 "[ . 1 . 2]" 1
303 1 70 ILE MG 1 77 GLN HE22 4.970 . 4.970 4.487 2.526 4.998 0.028 1 0 "[ . 1 . 2]" 1
304 1 70 ILE MG 1 77 GLN HG3 4.670 . 4.670 2.248 1.917 2.982 . 0 0 "[ . 1 . 2]" 1
305 1 70 ILE MG 1 78 ILE H 4.530 . 4.530 4.265 3.839 4.553 0.023 9 0 "[ . 1 . 2]" 1
306 1 71 ALA H 1 71 ALA MB 3.280 . 3.280 2.180 2.134 2.262 . 0 0 "[ . 1 . 2]" 1
307 1 71 ALA H 1 72 SER H 3.890 . 3.890 2.727 2.611 2.810 . 0 0 "[ . 1 . 2]" 1
308 1 71 ALA H 1 78 ILE MG 4.160 . 4.160 4.133 3.759 4.254 0.094 4 0 "[ . 1 . 2]" 1
309 1 71 ALA HA 1 73 GLY H 4.850 . 4.850 3.688 3.481 3.859 . 0 0 "[ . 1 . 2]" 1
310 1 71 ALA HA 1 78 ILE HA 4.790 . 4.790 3.321 2.898 3.644 . 0 0 "[ . 1 . 2]" 1
311 1 71 ALA HA 1 78 ILE MG 3.830 . 3.830 1.824 1.767 1.905 . 0 0 "[ . 1 . 2]" 1
312 1 71 ALA MB 1 72 SER H 4.030 . 4.030 2.845 2.663 2.978 . 0 0 "[ . 1 . 2]" 1
313 1 71 ALA MB 1 72 SER HA 5.140 . 5.140 3.971 3.865 4.073 . 0 0 "[ . 1 . 2]" 1
314 1 71 ALA MB 1 73 GLY H 5.090 . 5.090 4.242 4.163 4.304 . 0 0 "[ . 1 . 2]" 1
315 1 71 ALA MB 1 74 GLY H 5.500 . 5.500 5.509 5.167 5.645 0.145 18 0 "[ . 1 . 2]" 1
316 1 71 ALA MB 1 78 ILE HA 5.140 . 5.140 4.341 3.536 4.749 . 0 0 "[ . 1 . 2]" 1
317 1 71 ALA MB 1 78 ILE MG 3.620 . 3.620 3.002 2.034 3.341 . 0 0 "[ . 1 . 2]" 1
318 1 71 ALA MB 1 111 ASN HB2 4.560 . 4.560 2.481 2.154 3.775 . 0 0 "[ . 1 . 2]" 1
319 1 71 ALA MB 1 111 ASN HB3 4.600 . 4.600 2.066 1.752 2.465 . 0 0 "[ . 1 . 2]" 1
320 1 71 ALA MB 1 112 ILE HA 5.500 . 5.500 3.290 2.912 3.523 . 0 0 "[ . 1 . 2]" 1
321 1 72 SER H 1 72 SER HB2 3.700 . 3.700 3.612 3.563 3.693 . 0 0 "[ . 1 . 2]" 1
322 1 72 SER H 1 72 SER HB3 3.610 . 3.610 3.050 2.949 3.194 . 0 0 "[ . 1 . 2]" 1
323 1 72 SER H 1 73 GLY H 3.830 . 3.830 2.325 2.230 2.501 . 0 0 "[ . 1 . 2]" 1
324 1 72 SER H 1 73 GLY QA 5.140 . 5.140 3.952 3.806 4.117 . 0 0 "[ . 1 . 2]" 1
325 1 72 SER H 1 74 GLY H 4.990 . 4.990 4.766 4.573 4.949 . 0 0 "[ . 1 . 2]" 1
326 1 72 SER H 1 78 ILE MG 5.220 . 5.220 4.171 3.869 4.435 . 0 0 "[ . 1 . 2]" 1
327 1 72 SER HA 1 74 GLY H 4.560 . 4.560 4.435 3.927 4.609 0.049 6 0 "[ . 1 . 2]" 1
328 1 72 SER HA 1 111 ASN HB2 4.930 . 4.930 4.867 4.541 5.090 0.160 2 0 "[ . 1 . 2]" 1
329 1 72 SER HA 1 111 ASN QD 5.500 . 5.500 4.026 2.619 4.988 . 0 0 "[ . 1 . 2]" 1
330 1 72 SER HB2 1 73 GLY H 4.310 . 4.310 4.286 4.116 4.341 0.031 13 0 "[ . 1 . 2]" 1
331 1 72 SER HB3 1 111 ASN HB2 4.870 . 4.870 4.319 3.886 4.730 . 0 0 "[ . 1 . 2]" 1
332 1 72 SER HB3 1 111 ASN HB3 4.380 . 4.380 3.448 2.656 4.503 0.123 19 0 "[ . 1 . 2]" 1
333 1 72 SER HB3 1 111 ASN QD 4.830 . 4.830 2.433 1.550 3.437 . 0 0 "[ . 1 . 2]" 1
334 1 73 GLY H 1 74 GLY H 3.870 . 3.870 2.601 2.479 2.765 . 0 0 "[ . 1 . 2]" 1
335 1 73 GLY H 1 77 GLN HE21 5.500 . 5.500 4.560 3.859 5.517 0.017 19 0 "[ . 1 . 2]" 1
336 1 73 GLY H 1 77 GLN HE22 5.500 . 5.500 4.928 4.293 5.574 0.074 3 0 "[ . 1 . 2]" 1
337 1 73 GLY H 1 77 GLN HG3 5.140 . 5.140 4.369 3.107 5.232 0.092 16 0 "[ . 1 . 2]" 1
338 1 73 GLY H 1 78 ILE MG 4.280 . 4.280 3.491 3.048 4.017 . 0 0 "[ . 1 . 2]" 1
339 1 73 GLY QA 1 77 GLN QB 4.510 . 4.510 3.789 3.256 4.203 . 0 0 "[ . 1 . 2]" 1
340 1 73 GLY QA 1 77 GLN HE21 5.370 . 5.370 2.740 2.208 3.541 . 0 0 "[ . 1 . 2]" 1
341 1 73 GLY QA 1 78 ILE MG 4.840 . 4.840 4.313 3.919 4.740 . 0 0 "[ . 1 . 2]" 1
342 1 74 GLY H 1 77 GLN QB 4.930 . 4.930 3.265 2.271 4.409 . 0 0 "[ . 1 . 2]" 1
343 1 74 GLY H 1 77 GLN HG2 5.460 . 5.460 2.709 2.168 3.049 . 0 0 "[ . 1 . 2]" 1
344 1 74 GLY H 1 77 GLN HG3 4.470 . 4.470 3.672 1.956 4.556 0.086 17 0 "[ . 1 . 2]" 1
345 1 74 GLY H 1 78 ILE H 5.370 . 5.370 3.702 3.276 4.141 . 0 0 "[ . 1 . 2]" 1
346 1 74 GLY H 1 78 ILE MG 4.290 . 4.290 2.674 2.263 3.304 . 0 0 "[ . 1 . 2]" 1
347 1 74 GLY QA 1 75 ASN HB3 5.500 . 5.500 4.520 4.130 5.167 . 0 0 "[ . 1 . 2]" 1
348 1 74 GLY QA 1 77 GLN H 5.500 . 5.500 3.470 3.238 3.805 . 0 0 "[ . 1 . 2]" 1
349 1 74 GLY QA 1 77 GLN HE21 5.390 . 5.390 3.417 2.529 4.274 . 0 0 "[ . 1 . 2]" 1
350 1 75 ASN HA 1 78 ILE H 5.210 . 5.210 3.407 3.147 3.724 . 0 0 "[ . 1 . 2]" 1
351 1 75 ASN HA 1 78 ILE MD 3.750 . 3.750 2.053 1.922 2.244 . 0 0 "[ . 1 . 2]" 1
352 1 75 ASN HA 1 78 ILE HG12 3.520 . 3.520 2.108 1.959 2.217 . 0 0 "[ . 1 . 2]" 1
353 1 75 ASN HA 1 78 ILE HG13 3.380 . 3.380 3.421 3.306 3.482 0.102 19 0 "[ . 1 . 2]" 1
354 1 75 ASN HA 1 78 ILE MG 4.830 . 4.830 3.151 2.881 3.335 . 0 0 "[ . 1 . 2]" 1
355 1 75 ASN HA 1 79 GLN H 5.440 . 5.440 3.974 3.679 4.289 . 0 0 "[ . 1 . 2]" 1
356 1 75 ASN HB2 1 77 GLN H 5.500 . 5.500 5.499 5.158 5.619 0.119 4 0 "[ . 1 . 2]" 1
357 1 75 ASN HB2 1 78 ILE MD 4.810 . 4.810 3.606 3.098 4.136 . 0 0 "[ . 1 . 2]" 1
358 1 75 ASN HB3 1 115 GLY HA3 5.180 . 5.180 5.114 4.490 5.298 0.118 3 0 "[ . 1 . 2]" 1
359 1 75 ASN HD21 1 78 ILE MD 5.200 . 5.200 2.329 1.613 3.306 . 0 0 "[ . 1 . 2]" 1
360 1 75 ASN HD21 1 78 ILE MG 5.500 . 5.500 4.554 3.465 5.505 0.005 16 0 "[ . 1 . 2]" 1
361 1 75 ASN HD21 1 115 GLY HA2 4.050 . 4.050 3.913 3.254 4.148 0.098 19 0 "[ . 1 . 2]" 1
362 1 75 ASN HD21 1 115 GLY HA3 5.230 . 5.230 3.405 2.370 5.296 0.066 6 0 "[ . 1 . 2]" 1
363 1 75 ASN HD22 1 78 ILE HG13 5.320 . 5.320 4.506 3.501 5.441 0.121 18 0 "[ . 1 . 2]" 1
364 1 76 GLU H 1 79 GLN HB3 5.500 . 5.500 5.161 4.762 5.543 0.043 3 0 "[ . 1 . 2]" 1
365 1 76 GLU HA 1 79 GLN H 4.610 . 4.610 3.876 3.489 4.304 . 0 0 "[ . 1 . 2]" 1
366 1 76 GLU QG 1 77 GLN H 5.500 . 5.500 4.029 2.366 4.394 . 0 0 "[ . 1 . 2]" 1
367 1 77 GLN H 1 77 GLN HE21 5.500 . 5.500 3.947 3.350 4.868 . 0 0 "[ . 1 . 2]" 1
368 1 77 GLN H 1 77 GLN HE22 5.500 . 5.500 5.257 4.092 5.577 0.077 17 0 "[ . 1 . 2]" 1
369 1 77 GLN H 1 77 GLN HG2 4.580 . 4.580 3.208 1.908 4.282 . 0 0 "[ . 1 . 2]" 1
370 1 77 GLN H 1 77 GLN HG3 4.580 . 4.580 4.017 3.349 4.514 . 0 0 "[ . 1 . 2]" 1
371 1 77 GLN H 1 78 ILE H 3.930 . 3.930 2.561 2.298 2.842 . 0 0 "[ . 1 . 2]" 1
372 1 77 GLN H 1 79 GLN H 4.950 . 4.950 4.006 3.796 4.157 . 0 0 "[ . 1 . 2]" 1
373 1 77 GLN H 1 80 ALA MB 5.320 . 5.320 4.902 4.529 5.375 0.055 19 0 "[ . 1 . 2]" 1
374 1 77 GLN HA 1 77 GLN HE21 4.700 . 4.700 4.479 4.197 4.816 0.116 1 0 "[ . 1 . 2]" 1
375 1 77 GLN HA 1 77 GLN HG2 4.030 . 4.030 3.608 3.280 3.828 . 0 0 "[ . 1 . 2]" 1
376 1 77 GLN HA 1 77 GLN HG3 4.010 . 4.010 3.338 2.607 4.128 0.118 7 0 "[ . 1 . 2]" 1
377 1 77 GLN HA 1 80 ALA H 4.800 . 4.800 3.583 3.303 3.925 . 0 0 "[ . 1 . 2]" 1
378 1 77 GLN HA 1 80 ALA MB 4.150 . 4.150 2.925 2.586 3.231 . 0 0 "[ . 1 . 2]" 1
379 1 77 GLN QB 1 78 ILE H 4.730 . 4.730 2.924 1.869 3.677 . 0 0 "[ . 1 . 2]" 1
380 1 77 GLN HE21 1 78 ILE H 5.500 . 5.500 4.969 4.587 5.526 0.026 6 0 "[ . 1 . 2]" 1
381 1 77 GLN HE21 1 78 ILE MG 5.500 . 5.500 4.961 4.521 5.404 . 0 0 "[ . 1 . 2]" 1
382 1 77 GLN HG3 1 78 ILE H 5.010 . 5.010 3.844 2.885 4.432 . 0 0 "[ . 1 . 2]" 1
383 1 78 ILE H 1 78 ILE MD 3.960 . 3.960 3.567 3.407 3.743 . 0 0 "[ . 1 . 2]" 1
384 1 78 ILE H 1 78 ILE HG12 3.890 . 3.890 2.247 2.125 2.452 . 0 0 "[ . 1 . 2]" 1
385 1 78 ILE H 1 78 ILE HG13 4.530 . 4.530 3.547 3.417 3.723 . 0 0 "[ . 1 . 2]" 1
386 1 78 ILE H 1 78 ILE MG 3.700 . 3.700 2.123 2.051 2.223 . 0 0 "[ . 1 . 2]" 1
387 1 78 ILE HA 1 78 ILE HG12 3.640 . 3.640 3.692 3.669 3.723 0.083 19 0 "[ . 1 . 2]" 1
388 1 78 ILE MD 1 79 GLN HE21 5.500 . 5.500 4.851 3.913 5.594 0.094 19 0 "[ . 1 . 2]" 1
389 1 78 ILE MD 1 112 ILE HA 4.160 . 4.160 2.564 2.061 2.901 . 0 0 "[ . 1 . 2]" 1
390 1 78 ILE MD 1 114 SER H 5.040 . 5.040 4.077 3.497 4.537 . 0 0 "[ . 1 . 2]" 1
391 1 78 ILE MD 1 115 GLY H 3.980 . 3.980 2.903 2.578 3.274 . 0 0 "[ . 1 . 2]" 1
392 1 78 ILE MD 1 115 GLY HA2 4.280 . 4.280 2.693 1.806 3.265 . 0 0 "[ . 1 . 2]" 1
393 1 78 ILE MD 1 115 GLY HA3 4.340 . 4.340 1.957 1.692 2.908 . 0 0 "[ . 1 . 2]" 1
394 1 78 ILE HG12 1 78 ILE MG 3.290 . 3.290 2.582 2.446 2.703 . 0 0 "[ . 1 . 2]" 1
395 1 78 ILE HG12 1 79 GLN H 3.810 . 3.810 2.190 2.064 2.328 . 0 0 "[ . 1 . 2]" 1
396 1 78 ILE HG12 1 79 GLN HB3 3.630 . 3.630 3.761 3.718 3.808 0.178 8 0 "[ . 1 . 2]" 1
397 1 78 ILE HG12 1 80 ALA H 5.120 . 5.120 4.639 4.480 4.825 . 0 0 "[ . 1 . 2]" 1
398 1 78 ILE HG13 1 79 GLN H 3.720 . 3.720 2.530 2.270 2.750 . 0 0 "[ . 1 . 2]" 1
399 1 78 ILE HG13 1 112 ILE HA 5.070 . 5.070 4.207 3.667 4.949 . 0 0 "[ . 1 . 2]" 1
400 1 78 ILE MG 1 82 ILE HG12 5.500 . 5.500 4.751 4.433 5.167 . 0 0 "[ . 1 . 2]" 1
401 1 78 ILE MG 1 112 ILE H 4.770 . 4.770 4.387 3.999 4.800 0.030 19 0 "[ . 1 . 2]" 1
402 1 78 ILE MG 1 112 ILE MD 5.500 . 5.500 5.037 4.647 5.395 . 0 0 "[ . 1 . 2]" 1
403 1 78 ILE MG 1 115 GLY HA2 4.600 . 4.600 4.462 3.645 4.687 0.087 15 0 "[ . 1 . 2]" 1
404 1 79 GLN H 1 79 GLN HB2 3.340 . 3.340 2.733 2.584 2.827 . 0 0 "[ . 1 . 2]" 1
405 1 79 GLN H 1 79 GLN HB3 3.880 . 3.880 2.230 2.151 2.321 . 0 0 "[ . 1 . 2]" 1
406 1 79 GLN H 1 79 GLN HE21 5.500 . 5.500 4.315 4.105 4.813 . 0 0 "[ . 1 . 2]" 1
407 1 79 GLN H 1 79 GLN QG 4.960 . 4.960 3.920 3.859 3.980 . 0 0 "[ . 1 . 2]" 1
408 1 79 GLN H 1 80 ALA H 3.630 . 3.630 2.532 2.386 2.649 . 0 0 "[ . 1 . 2]" 1
409 1 79 GLN H 1 80 ALA MB 4.660 . 4.660 4.217 4.083 4.324 . 0 0 "[ . 1 . 2]" 1
410 1 79 GLN HA 1 79 GLN HE21 5.410 . 5.410 2.299 1.606 2.494 . 0 0 "[ . 1 . 2]" 1
411 1 79 GLN HA 1 79 GLN HE22 5.090 . 5.090 3.251 3.023 3.460 . 0 0 "[ . 1 . 2]" 1
412 1 79 GLN HA 1 82 ILE H 4.980 . 4.980 3.040 2.869 3.240 . 0 0 "[ . 1 . 2]" 1
413 1 79 GLN HA 1 82 ILE HB 4.050 . 4.050 2.114 1.895 2.273 . 0 0 "[ . 1 . 2]" 1
414 1 79 GLN HA 1 82 ILE MG 3.750 . 3.750 3.576 3.366 3.767 0.017 6 0 "[ . 1 . 2]" 1
415 1 79 GLN HA 1 83 ASP H 4.700 . 4.700 3.615 3.433 3.812 . 0 0 "[ . 1 . 2]" 1
416 1 79 GLN HA 1 83 ASP HB2 5.170 . 5.170 4.727 4.281 5.005 . 0 0 "[ . 1 . 2]" 1
417 1 79 GLN HB2 1 80 ALA H 4.220 . 4.220 4.199 4.046 4.243 0.023 12 0 "[ . 1 . 2]" 1
418 1 79 GLN HE21 1 82 ILE MD 5.500 . 5.500 5.171 4.838 5.504 0.004 10 0 "[ . 1 . 2]" 1
419 1 79 GLN HE21 1 82 ILE HG12 5.500 . 5.500 4.561 4.043 4.913 . 0 0 "[ . 1 . 2]" 1
420 1 79 GLN HE21 1 82 ILE MG 4.960 . 4.960 3.284 2.836 3.584 . 0 0 "[ . 1 . 2]" 1
421 1 79 GLN HE21 1 83 ASP H 5.120 . 5.120 4.729 2.573 5.157 0.037 13 0 "[ . 1 . 2]" 1
422 1 79 GLN HE22 1 82 ILE HA 5.500 . 5.500 5.541 5.475 5.579 0.079 20 0 "[ . 1 . 2]" 1
423 1 79 GLN HE22 1 82 ILE MD 5.290 . 5.290 5.058 4.481 5.334 0.044 19 0 "[ . 1 . 2]" 1
424 1 79 GLN HE22 1 82 ILE HG12 5.500 . 5.500 4.962 4.526 5.352 . 0 0 "[ . 1 . 2]" 1
425 1 79 GLN HE22 1 82 ILE MG 4.790 . 4.790 2.468 2.135 2.766 . 0 0 "[ . 1 . 2]" 1
426 1 79 GLN HE22 1 83 ASP H 5.460 . 5.460 4.383 3.678 4.783 . 0 0 "[ . 1 . 2]" 1
427 1 79 GLN HE22 1 83 ASP HA 5.500 . 5.500 4.714 3.768 5.523 0.023 13 0 "[ . 1 . 2]" 1
428 1 80 ALA H 1 80 ALA MB 3.340 . 3.340 2.230 2.202 2.263 . 0 0 "[ . 1 . 2]" 1
429 1 80 ALA H 1 81 VAL H 3.910 . 3.910 2.679 2.421 2.869 . 0 0 "[ . 1 . 2]" 1
430 1 80 ALA H 1 83 ASP H 5.250 . 5.250 4.652 4.559 4.790 . 0 0 "[ . 1 . 2]" 1
431 1 80 ALA H 1 83 ASP HB2 5.340 . 5.340 5.320 5.037 5.407 0.067 3 0 "[ . 1 . 2]" 1
432 1 80 ALA HA 1 82 ILE H 5.260 . 5.260 4.529 4.253 4.781 . 0 0 "[ . 1 . 2]" 1
433 1 80 ALA HA 1 83 ASP H 4.240 . 4.240 3.742 3.457 3.899 . 0 0 "[ . 1 . 2]" 1
434 1 80 ALA MB 1 81 VAL H 3.630 . 3.630 2.564 2.371 2.720 . 0 0 "[ . 1 . 2]" 1
435 1 80 ALA MB 1 83 ASP HB3 5.480 . 5.480 4.370 3.817 4.664 . 0 0 "[ . 1 . 2]" 1
436 1 81 VAL H 1 81 VAL QG 3.740 . 3.740 2.184 2.034 2.403 . 0 0 "[ . 1 . 2]" 1
437 1 81 VAL H 1 81 VAL MG2 3.570 . 3.570 3.336 2.043 3.735 0.165 1 0 "[ . 1 . 2]" 1
438 1 81 VAL H 1 82 ILE H 4.060 . 4.060 2.484 2.326 2.712 . 0 0 "[ . 1 . 2]" 1
439 1 81 VAL H 1 83 ASP H 5.150 . 5.150 4.026 3.872 4.189 . 0 0 "[ . 1 . 2]" 1
440 1 81 VAL H 1 83 ASP HB3 5.500 . 5.500 5.064 4.686 5.502 0.002 3 0 "[ . 1 . 2]" 1
441 1 81 VAL H 1 84 ALA H 5.320 . 5.320 4.935 4.647 5.126 . 0 0 "[ . 1 . 2]" 1
442 1 81 VAL HA 1 83 ASP H 5.380 . 5.380 4.267 3.993 4.603 . 0 0 "[ . 1 . 2]" 1
443 1 81 VAL HA 1 84 ALA H 4.500 . 4.500 3.432 2.955 4.005 . 0 0 "[ . 1 . 2]" 1
444 1 81 VAL HA 1 84 ALA MB 4.460 . 4.460 2.897 2.315 3.392 . 0 0 "[ . 1 . 2]" 1
445 1 81 VAL MG1 1 82 ILE HA 5.500 . 5.500 3.392 3.198 3.529 . 0 0 "[ . 1 . 2]" 1
446 1 81 VAL MG1 1 82 ILE MD 5.500 . 5.500 2.697 2.338 3.149 . 0 0 "[ . 1 . 2]" 1
447 1 81 VAL MG1 1 82 ILE HG12 3.390 . 3.390 3.009 2.749 3.450 0.060 19 0 "[ . 1 . 2]" 1
448 1 82 ILE H 1 82 ILE HB 4.190 . 4.190 2.457 2.367 2.588 . 0 0 "[ . 1 . 2]" 1
449 1 82 ILE H 1 82 ILE MD 3.730 . 3.730 3.198 2.984 3.500 . 0 0 "[ . 1 . 2]" 1
450 1 82 ILE H 1 82 ILE HG12 4.550 . 4.550 2.371 2.218 2.559 . 0 0 "[ . 1 . 2]" 1
451 1 82 ILE H 1 82 ILE MG 4.140 . 4.140 3.784 3.747 3.834 . 0 0 "[ . 1 . 2]" 1
452 1 82 ILE H 1 83 ASP H 4.030 . 4.030 2.603 2.501 2.766 . 0 0 "[ . 1 . 2]" 1
453 1 82 ILE H 1 83 ASP HB2 5.080 . 5.080 4.907 4.794 5.042 . 0 0 "[ . 1 . 2]" 1
454 1 82 ILE H 1 84 ALA H 5.240 . 5.240 4.025 3.783 4.221 . 0 0 "[ . 1 . 2]" 1
455 1 82 ILE HA 1 82 ILE MD 3.450 . 3.450 1.953 1.890 2.022 . 0 0 "[ . 1 . 2]" 1
456 1 82 ILE HA 1 84 ALA H 4.930 . 4.930 3.900 3.703 4.162 . 0 0 "[ . 1 . 2]" 1
457 1 82 ILE HA 1 87 LEU HG 5.380 . 5.380 3.822 2.794 5.520 0.140 2 0 "[ . 1 . 2]" 1
458 1 82 ILE HA 2 7 ALA MB 5.500 . 5.500 5.191 4.839 5.539 0.039 1 0 "[ . 1 . 2]" 1
459 1 82 ILE HB 1 82 ILE MD 3.230 . 3.230 3.218 3.200 3.231 0.001 2 0 "[ . 1 . 2]" 1
460 1 82 ILE HB 1 83 ASP H 4.010 . 4.010 2.688 2.432 2.913 . 0 0 "[ . 1 . 2]" 1
461 1 82 ILE MD 1 83 ASP H 4.500 . 4.500 4.542 4.462 4.601 0.101 20 0 "[ . 1 . 2]" 1
462 1 82 ILE MD 1 85 GLY H 5.100 . 5.100 4.895 4.683 5.120 0.020 2 0 "[ . 1 . 2]" 1
463 1 82 ILE MD 1 86 ALA H 3.810 . 3.810 3.387 3.067 3.692 . 0 0 "[ . 1 . 2]" 1
464 1 82 ILE MD 1 86 ALA MB 2.620 . 2.620 2.143 1.825 2.742 0.122 8 0 "[ . 1 . 2]" 1
465 1 82 ILE MD 1 87 LEU H 4.140 . 4.140 3.364 3.143 3.522 . 0 0 "[ . 1 . 2]" 1
466 1 82 ILE MD 1 87 LEU HA 4.150 . 4.150 4.000 3.690 4.255 0.105 2 0 "[ . 1 . 2]" 1
467 1 82 ILE MD 1 112 ILE MG 5.500 . 5.500 2.344 2.098 2.885 . 0 0 "[ . 1 . 2]" 1
468 1 82 ILE MD 2 7 ALA MB 5.440 . 5.440 4.062 3.539 4.576 . 0 0 "[ . 1 . 2]" 1
469 1 82 ILE MD 2 8 VAL H 5.500 . 5.500 5.190 4.671 5.491 . 0 0 "[ . 1 . 2]" 1
470 1 82 ILE HG12 1 82 ILE MG 3.520 . 3.520 3.200 3.182 3.223 . 0 0 "[ . 1 . 2]" 1
471 1 82 ILE HG12 1 83 ASP H 4.570 . 4.570 4.354 4.249 4.474 . 0 0 "[ . 1 . 2]" 1
472 1 82 ILE HG12 1 87 LEU QD 4.220 . 4.220 4.030 3.836 4.176 . 0 0 "[ . 1 . 2]" 1
473 1 82 ILE HG12 1 112 ILE MG 5.500 . 5.500 3.078 2.705 3.523 . 0 0 "[ . 1 . 2]" 1
474 1 82 ILE HG13 1 87 LEU HG 5.500 . 5.500 4.854 4.210 5.571 0.071 19 0 "[ . 1 . 2]" 1
475 1 82 ILE HG13 1 112 ILE HA 5.180 . 5.180 5.079 4.765 5.269 0.089 20 0 "[ . 1 . 2]" 1
476 1 82 ILE MG 1 83 ASP H 3.960 . 3.960 3.310 3.053 3.553 . 0 0 "[ . 1 . 2]" 1
477 1 82 ILE MG 1 87 LEU H 5.500 . 5.500 4.161 3.692 4.509 . 0 0 "[ . 1 . 2]" 1
478 1 82 ILE MG 1 87 LEU QD 4.330 . 4.330 1.849 1.713 2.331 . 0 0 "[ . 1 . 2]" 1
479 1 82 ILE MG 1 87 LEU HG 3.830 . 3.830 3.068 2.026 3.891 0.061 2 0 "[ . 1 . 2]" 1
480 1 82 ILE MG 2 7 ALA MB 3.250 . 3.250 2.371 2.044 2.743 . 0 0 "[ . 1 . 2]" 1
481 1 83 ASP H 1 83 ASP HB2 3.380 . 3.380 2.496 2.415 2.559 . 0 0 "[ . 1 . 2]" 1
482 1 83 ASP H 1 84 ALA H 3.820 . 3.820 2.682 2.592 2.787 . 0 0 "[ . 1 . 2]" 1
483 1 83 ASP H 1 84 ALA MB 4.960 . 4.960 4.373 4.284 4.475 . 0 0 "[ . 1 . 2]" 1
484 1 83 ASP H 1 85 GLY H 4.580 . 4.580 4.088 3.892 4.298 . 0 0 "[ . 1 . 2]" 1
485 1 83 ASP HA 1 84 ALA MB 5.500 . 5.500 4.969 4.897 5.000 . 0 0 "[ . 1 . 2]" 1
486 1 83 ASP HA 1 85 GLY H 4.300 . 4.300 3.721 3.529 3.873 . 0 0 "[ . 1 . 2]" 1
487 1 83 ASP HB3 1 84 ALA HA 5.120 . 5.120 4.406 4.218 4.570 . 0 0 "[ . 1 . 2]" 1
488 1 83 ASP HB3 1 85 GLY H 5.490 . 5.490 4.881 4.776 5.074 . 0 0 "[ . 1 . 2]" 1
489 1 84 ALA H 1 84 ALA MB 3.310 . 3.310 2.279 2.248 2.333 . 0 0 "[ . 1 . 2]" 1
490 1 84 ALA H 1 85 GLY H 3.790 . 3.790 2.478 2.249 2.601 . 0 0 "[ . 1 . 2]" 1
491 1 84 ALA H 1 86 ALA H 4.410 . 4.410 4.332 4.008 4.443 0.033 4 0 "[ . 1 . 2]" 1
492 1 84 ALA MB 1 85 GLY H 4.270 . 4.270 3.265 3.079 3.457 . 0 0 "[ . 1 . 2]" 1
493 1 84 ALA MB 1 85 GLY QA 5.370 . 5.370 4.051 3.975 4.155 . 0 0 "[ . 1 . 2]" 1
494 1 85 GLY H 1 86 ALA H 3.590 . 3.590 2.736 2.361 3.061 . 0 0 "[ . 1 . 2]" 1
495 1 85 GLY H 1 86 ALA MB 4.890 . 4.890 4.025 3.803 4.243 . 0 0 "[ . 1 . 2]" 1
496 1 85 GLY H 1 87 LEU H 5.500 . 5.500 4.438 4.002 4.694 . 0 0 "[ . 1 . 2]" 1
497 1 85 GLY QA 1 87 LEU H 5.500 . 5.500 3.220 2.887 3.555 . 0 0 "[ . 1 . 2]" 1
498 1 86 ALA H 1 86 ALA MB 3.390 . 3.390 2.289 2.197 2.360 . 0 0 "[ . 1 . 2]" 1
499 1 86 ALA H 1 87 LEU H 4.100 . 4.100 1.921 1.836 2.085 . 0 0 "[ . 1 . 2]" 1
500 1 86 ALA H 1 87 LEU HB3 4.980 . 4.980 5.212 5.123 5.317 0.337 2 0 "[ . 1 . 2]" 1
501 1 86 ALA H 1 89 ALA H 5.500 . 5.500 4.945 4.573 5.436 . 0 0 "[ . 1 . 2]" 1
502 1 86 ALA HA 1 89 ALA H 4.530 . 4.530 3.632 3.280 3.900 . 0 0 "[ . 1 . 2]" 1
503 1 86 ALA HA 1 89 ALA MB 4.260 . 4.260 2.882 2.275 3.542 . 0 0 "[ . 1 . 2]" 1
504 1 86 ALA HA 1 90 LEU MD2 5.500 . 5.500 4.882 4.128 5.516 0.016 9 0 "[ . 1 . 2]" 1
505 1 86 ALA MB 1 87 LEU H 4.230 . 4.230 2.629 2.353 2.784 . 0 0 "[ . 1 . 2]" 1
506 1 86 ALA MB 1 90 LEU MD1 3.540 . 3.540 3.134 2.662 3.532 . 0 0 "[ . 1 . 2]" 1
507 1 86 ALA MB 1 90 LEU HG 4.010 . 4.010 3.475 2.974 3.798 . 0 0 "[ . 1 . 2]" 1
508 1 87 LEU H 1 87 LEU QD 4.370 . 4.370 2.063 1.589 2.883 . 0 0 "[ . 1 . 2]" 1
509 1 87 LEU H 1 87 LEU HG 4.640 . 4.640 2.598 1.822 3.886 . 0 0 "[ . 1 . 2]" 1
510 1 87 LEU H 1 88 PRO HG3 5.500 . 5.500 5.283 4.913 5.518 0.018 13 0 "[ . 1 . 2]" 1
511 1 87 LEU H 1 89 ALA H 5.400 . 5.400 3.969 3.649 4.251 . 0 0 "[ . 1 . 2]" 1
512 1 87 LEU H 1 90 LEU H 5.500 . 5.500 4.861 4.652 5.121 . 0 0 "[ . 1 . 2]" 1
513 1 87 LEU H 2 11 ALA MB 5.500 . 5.500 4.430 3.804 5.024 . 0 0 "[ . 1 . 2]" 1
514 1 87 LEU HA 1 90 LEU HG 4.440 . 4.440 3.853 3.243 4.450 0.010 3 0 "[ . 1 . 2]" 1
515 1 87 LEU HA 2 11 ALA MB 5.500 . 5.500 4.160 3.726 4.531 . 0 0 "[ . 1 . 2]" 1
516 1 87 LEU HB2 2 11 ALA MB 5.500 . 5.500 2.287 1.926 2.757 . 0 0 "[ . 1 . 2]" 1
517 1 87 LEU HB3 1 89 ALA H 5.370 . 5.370 5.374 5.084 5.439 0.069 9 0 "[ . 1 . 2]" 1
518 1 87 LEU HB3 2 8 VAL MG1 4.400 . 4.400 3.995 3.221 4.443 0.043 9 0 "[ . 1 . 2]" 1
519 1 87 LEU HB3 2 11 ALA H 5.500 . 5.500 5.058 4.329 5.574 0.074 12 0 "[ . 1 . 2]" 1
520 1 87 LEU HB3 2 11 ALA MB 5.500 . 5.500 2.549 1.913 3.169 . 0 0 "[ . 1 . 2]" 1
521 1 87 LEU QD 1 88 PRO HB2 5.500 . 5.500 4.783 3.723 5.346 . 0 0 "[ . 1 . 2]" 1
522 1 87 LEU QD 2 7 ALA H 5.500 . 5.500 4.688 4.104 5.279 . 0 0 "[ . 1 . 2]" 1
523 1 87 LEU QD 2 7 ALA HA 5.500 . 5.500 4.103 3.444 5.104 . 0 0 "[ . 1 . 2]" 1
524 1 87 LEU QD 2 7 ALA MB 3.680 . 3.680 2.491 1.893 3.367 . 0 0 "[ . 1 . 2]" 1
525 1 87 LEU QD 2 8 VAL H 3.860 . 3.860 3.501 3.081 3.825 . 0 0 "[ . 1 . 2]" 1
526 1 87 LEU QD 2 8 VAL HA 3.640 . 3.640 2.362 1.973 2.931 . 0 0 "[ . 1 . 2]" 1
527 1 87 LEU QD 2 11 ALA H 4.590 . 4.590 3.778 3.106 4.464 . 0 0 "[ . 1 . 2]" 1
528 1 87 LEU HG 2 8 VAL MG2 5.500 . 5.500 3.934 2.490 5.142 . 0 0 "[ . 1 . 2]" 1
529 1 88 PRO CG 1 88 PRO N 2.340 . 2.340 2.335 2.288 2.360 0.020 15 0 "[ . 1 . 2]" 1
530 1 88 PRO HA 1 91 VAL H 4.630 . 4.630 4.095 3.540 4.564 . 0 0 "[ . 1 . 2]" 1
531 1 88 PRO HA 1 91 VAL QG 5.500 . 5.500 2.217 1.927 2.722 . 0 0 "[ . 1 . 2]" 1
532 1 88 PRO HA 1 92 GLN H 4.590 . 4.590 4.455 4.081 4.619 0.029 9 0 "[ . 1 . 2]" 1
533 1 88 PRO HA 2 11 ALA MB 5.500 . 5.500 3.902 2.975 4.537 . 0 0 "[ . 1 . 2]" 1
534 1 88 PRO HB3 1 89 ALA H 4.030 . 4.030 3.671 3.211 4.087 0.057 8 0 "[ . 1 . 2]" 1
535 1 88 PRO HG2 1 89 ALA H 5.500 . 5.500 4.403 4.174 4.653 . 0 0 "[ . 1 . 2]" 1
536 1 88 PRO HG2 2 11 ALA MB 5.500 . 5.500 4.255 2.993 5.505 0.005 9 0 "[ . 1 . 2]" 1
537 1 88 PRO HG3 2 11 ALA HA 5.500 . 5.500 4.344 2.586 5.520 0.020 7 0 "[ . 1 . 2]" 1
538 1 88 PRO HG3 2 11 ALA MB 5.500 . 5.500 3.301 2.021 4.749 . 0 0 "[ . 1 . 2]" 1
539 1 89 ALA H 1 90 LEU H 3.550 . 3.550 2.588 2.341 2.884 . 0 0 "[ . 1 . 2]" 1
540 1 89 ALA H 1 91 VAL H 4.800 . 4.800 3.914 3.683 4.147 . 0 0 "[ . 1 . 2]" 1
541 1 89 ALA H 1 91 VAL QG 4.110 . 4.110 3.839 3.554 4.030 . 0 0 "[ . 1 . 2]" 1
542 1 89 ALA H 1 92 GLN H 5.000 . 5.000 4.777 4.565 4.886 . 0 0 "[ . 1 . 2]" 1
543 1 89 ALA HA 1 92 GLN H 3.950 . 3.950 3.661 3.437 3.891 . 0 0 "[ . 1 . 2]" 1
544 1 89 ALA HA 1 92 GLN HE21 5.500 . 5.500 3.638 1.809 4.868 . 0 0 "[ . 1 . 2]" 1
545 1 89 ALA HA 1 92 GLN HE22 5.500 . 5.500 4.013 2.473 4.732 . 0 0 "[ . 1 . 2]" 1
546 1 89 ALA HA 1 92 GLN QG 3.800 . 3.800 2.435 2.025 2.800 . 0 0 "[ . 1 . 2]" 1
547 1 89 ALA HA 1 93 LEU H 4.550 . 4.550 4.486 4.142 4.615 0.065 8 0 "[ . 1 . 2]" 1
548 1 89 ALA MB 1 90 LEU H 3.720 . 3.720 2.587 2.368 2.822 . 0 0 "[ . 1 . 2]" 1
549 1 89 ALA MB 1 91 VAL H 5.180 . 5.180 4.435 4.306 4.568 . 0 0 "[ . 1 . 2]" 1
550 1 89 ALA MB 1 92 GLN HE21 5.500 . 5.500 4.229 2.596 5.576 0.076 7 0 "[ . 1 . 2]" 1
551 1 89 ALA MB 1 92 GLN HE22 5.500 . 5.500 4.526 3.291 5.370 . 0 0 "[ . 1 . 2]" 1
552 1 90 LEU H 1 90 LEU HB2 3.920 . 3.920 2.833 2.631 2.967 . 0 0 "[ . 1 . 2]" 1
553 1 90 LEU H 1 90 LEU HB3 3.650 . 3.650 3.654 3.606 3.678 0.028 7 0 "[ . 1 . 2]" 1
554 1 90 LEU H 1 90 LEU MD2 3.640 . 3.640 3.316 3.167 3.482 . 0 0 "[ . 1 . 2]" 1
555 1 90 LEU H 1 90 LEU HG 4.150 . 4.150 2.242 2.148 2.378 . 0 0 "[ . 1 . 2]" 1
556 1 90 LEU H 1 91 VAL HA 5.480 . 5.480 5.034 4.946 5.178 . 0 0 "[ . 1 . 2]" 1
557 1 90 LEU H 1 91 VAL QG 3.710 . 3.710 3.668 3.293 3.734 0.024 9 0 "[ . 1 . 2]" 1
558 1 90 LEU HB2 1 91 VAL H 4.210 . 4.210 3.028 2.760 3.254 . 0 0 "[ . 1 . 2]" 1
559 1 90 LEU HB2 1 105 ALA HA 4.020 . 4.020 4.152 4.102 4.193 0.173 7 0 "[ . 1 . 2]" 1
560 1 90 LEU HB2 1 109 LEU QD 3.780 . 3.780 2.463 2.008 3.172 . 0 0 "[ . 1 . 2]" 1
561 1 90 LEU HB3 1 109 LEU QD 3.760 . 3.760 3.189 2.793 3.694 . 0 0 "[ . 1 . 2]" 1
562 1 90 LEU MD2 1 108 ALA MB 3.310 . 3.310 2.928 2.407 3.336 0.026 12 0 "[ . 1 . 2]" 1
563 1 90 LEU MD2 1 109 LEU H 5.350 . 5.350 4.920 4.341 5.376 0.026 15 0 "[ . 1 . 2]" 1
564 1 90 LEU MD2 1 109 LEU QD 5.500 . 5.500 4.170 3.760 4.757 . 0 0 "[ . 1 . 2]" 1
565 1 90 LEU HG 1 109 LEU QD 5.500 . 5.500 4.161 3.660 5.033 . 0 0 "[ . 1 . 2]" 1
566 1 91 VAL H 1 91 VAL HB 3.550 . 3.550 2.750 2.516 3.614 0.064 8 0 "[ . 1 . 2]" 1
567 1 91 VAL H 1 91 VAL QG 3.540 . 3.540 2.071 1.834 2.172 . 0 0 "[ . 1 . 2]" 1
568 1 91 VAL H 1 92 GLN H 3.680 . 3.680 2.614 2.522 2.700 . 0 0 "[ . 1 . 2]" 1
569 1 91 VAL H 1 92 GLN HG2 5.500 . 5.500 4.355 4.140 4.524 . 0 0 "[ . 1 . 2]" 1
570 1 91 VAL H 1 92 GLN QG 5.500 . 5.500 4.232 4.015 4.390 . 0 0 "[ . 1 . 2]" 1
571 1 91 VAL H 1 93 LEU H 4.610 . 4.610 4.062 3.864 4.253 . 0 0 "[ . 1 . 2]" 1
572 1 91 VAL H 1 94 LEU H 5.500 . 5.500 4.711 4.415 5.000 . 0 0 "[ . 1 . 2]" 1
573 1 91 VAL HA 1 93 LEU H 4.510 . 4.510 4.195 3.863 4.445 . 0 0 "[ . 1 . 2]" 1
574 1 91 VAL HA 1 94 LEU H 4.020 . 4.020 3.273 2.900 3.578 . 0 0 "[ . 1 . 2]" 1
575 1 91 VAL HA 1 94 LEU QD 4.130 . 4.130 2.891 1.997 3.845 . 0 0 "[ . 1 . 2]" 1
576 1 91 VAL HA 1 94 LEU HG 4.550 . 4.550 3.824 2.054 4.618 0.068 5 0 "[ . 1 . 2]" 1
577 1 91 VAL QG 1 92 GLN H 3.700 . 3.700 2.486 2.365 2.651 . 0 0 "[ . 1 . 2]" 1
578 1 91 VAL QG 1 92 GLN HA 5.500 . 5.500 3.239 3.141 3.341 . 0 0 "[ . 1 . 2]" 1
579 1 91 VAL QG 1 93 LEU H 5.350 . 5.350 4.224 4.091 4.346 . 0 0 "[ . 1 . 2]" 1
580 1 92 GLN H 1 92 GLN QB 2.960 . 2.960 2.573 2.450 2.672 . 0 0 "[ . 1 . 2]" 1
581 1 92 GLN H 1 92 GLN QG 2.950 . 2.950 2.286 2.100 2.455 . 0 0 "[ . 1 . 2]" 1
582 1 92 GLN H 1 93 LEU H 3.650 . 3.650 2.417 2.307 2.589 . 0 0 "[ . 1 . 2]" 1
583 1 92 GLN H 1 93 LEU QD 4.660 . 4.660 4.313 3.859 4.434 . 0 0 "[ . 1 . 2]" 1
584 1 92 GLN H 1 94 LEU H 4.940 . 4.940 3.682 3.574 3.955 . 0 0 "[ . 1 . 2]" 1
585 1 92 GLN HA 1 92 GLN QB 2.590 . 2.590 2.194 2.177 2.210 . 0 0 "[ . 1 . 2]" 1
586 1 92 GLN QB 1 92 GLN QG 2.400 . 2.400 2.080 2.068 2.090 . 0 0 "[ . 1 . 2]" 1
587 1 92 GLN QB 1 93 LEU H 3.590 . 3.590 3.556 3.492 3.667 0.077 6 0 "[ . 1 . 2]" 1
588 1 92 GLN HE21 1 93 LEU H 5.500 . 5.500 4.545 3.948 5.120 . 0 0 "[ . 1 . 2]" 1
589 1 92 GLN HE21 1 93 LEU QD 5.500 . 5.500 2.981 2.295 4.313 . 0 0 "[ . 1 . 2]" 1
590 1 92 GLN HE22 1 93 LEU QD 5.500 . 5.500 4.043 3.408 4.597 . 0 0 "[ . 1 . 2]" 1
591 1 92 GLN QG 1 93 LEU H 4.520 . 4.520 2.330 2.096 2.612 . 0 0 "[ . 1 . 2]" 1
592 1 92 GLN QG 1 93 LEU HA 3.090 . 3.090 3.154 3.111 3.194 0.104 5 0 "[ . 1 . 2]" 1
593 1 92 GLN QG 1 93 LEU QD 3.720 . 3.720 2.577 1.825 2.902 . 0 0 "[ . 1 . 2]" 1
594 1 92 GLN QG 1 94 LEU H 5.500 . 5.500 4.224 4.029 4.476 . 0 0 "[ . 1 . 2]" 1
595 1 92 GLN QG 1 95 SER H 5.210 . 5.210 4.872 4.702 5.041 . 0 0 "[ . 1 . 2]" 1
596 1 92 GLN HG3 1 93 LEU HA 5.500 . 5.500 3.232 3.186 3.303 . 0 0 "[ . 1 . 2]" 1
597 1 93 LEU H 1 93 LEU HB3 3.210 . 3.210 3.373 3.311 3.403 0.193 6 0 "[ . 1 . 2]" 1
598 1 93 LEU H 1 93 LEU QD 3.470 . 3.470 2.997 2.384 3.197 . 0 0 "[ . 1 . 2]" 1
599 1 93 LEU H 1 94 LEU HB3 5.360 . 5.360 4.839 4.556 5.535 0.175 12 0 "[ . 1 . 2]" 1
600 1 93 LEU HA 1 95 SER H 3.860 . 3.860 3.461 3.170 3.820 . 0 0 "[ . 1 . 2]" 1
601 1 93 LEU HA 1 96 SER H 5.500 . 5.500 3.845 3.468 4.535 . 0 0 "[ . 1 . 2]" 1
602 1 93 LEU HB2 1 94 LEU H 3.870 . 3.870 3.012 2.605 3.278 . 0 0 "[ . 1 . 2]" 1
603 1 93 LEU HB2 1 95 SER H 4.850 . 4.850 4.836 4.688 4.896 0.046 1 0 "[ . 1 . 2]" 1
604 1 93 LEU HB3 1 93 LEU QD 2.970 . 2.970 2.141 2.111 2.296 . 0 0 "[ . 1 . 2]" 1
605 1 94 LEU H 1 94 LEU HB3 3.620 . 3.620 2.660 2.426 3.442 . 0 0 "[ . 1 . 2]" 1
606 1 94 LEU H 1 94 LEU HG 4.450 . 4.450 4.015 2.096 4.469 0.019 13 0 "[ . 1 . 2]" 1
607 1 94 LEU H 1 95 SER H 3.190 . 3.190 2.446 2.211 2.708 . 0 0 "[ . 1 . 2]" 1
608 1 94 LEU H 1 95 SER HA 5.500 . 5.500 5.020 4.901 5.131 . 0 0 "[ . 1 . 2]" 1
609 1 94 LEU HA 1 94 LEU QD 3.040 . 3.040 2.341 1.936 3.288 0.248 15 0 "[ . 1 . 2]" 1
610 1 94 LEU HA 1 96 SER H 3.370 . 3.370 3.352 2.950 3.457 0.087 7 0 "[ . 1 . 2]" 1
611 1 94 LEU HA 1 102 LEU MD1 3.350 . 3.350 2.814 2.319 3.419 0.069 11 0 "[ . 1 . 2]" 1
612 1 94 LEU HA 1 102 LEU HG 3.780 . 3.780 2.791 2.225 3.410 . 0 0 "[ . 1 . 2]" 1
613 1 94 LEU HB2 1 94 LEU QD 3.060 . 3.060 2.192 2.028 2.359 . 0 0 "[ . 1 . 2]" 1
614 1 94 LEU HB3 1 94 LEU QD 2.970 . 2.970 2.207 2.074 2.353 . 0 0 "[ . 1 . 2]" 1
615 1 94 LEU HB3 1 102 LEU MD1 5.500 . 5.500 4.808 4.029 5.397 . 0 0 "[ . 1 . 2]" 1
616 1 94 LEU HB3 2 16 ALA MB 5.500 . 5.500 3.707 2.953 5.294 . 0 0 "[ . 1 . 2]" 1
617 1 94 LEU QD 1 95 SER H 5.330 . 5.330 3.968 3.006 4.369 . 0 0 "[ . 1 . 2]" 1
618 1 94 LEU QD 1 95 SER HA 4.890 . 4.890 3.999 3.092 4.991 0.101 12 0 "[ . 1 . 2]" 1
619 1 94 LEU QD 1 102 LEU HA 3.270 . 3.270 2.682 1.960 3.390 0.120 10 0 "[ . 1 . 2]" 1
620 1 94 LEU QD 1 102 LEU MD1 3.930 . 3.930 3.099 2.526 3.766 . 0 0 "[ . 1 . 2]" 1
621 1 94 LEU QD 1 102 LEU MD2 3.090 . 3.090 2.899 2.255 3.148 0.058 16 0 "[ . 1 . 2]" 1
622 1 94 LEU QD 2 16 ALA MB 5.500 . 5.500 2.142 1.782 2.537 . 0 0 "[ . 1 . 2]" 1
623 1 94 LEU HG 1 102 LEU MD1 5.500 . 5.500 4.723 3.535 5.620 0.120 10 0 "[ . 1 . 2]" 1
624 1 94 LEU HG 1 102 LEU MD2 5.500 . 5.500 4.676 3.139 5.543 0.043 15 0 "[ . 1 . 2]" 1
625 1 95 SER H 1 95 SER QB 3.330 . 3.330 2.456 2.297 2.577 . 0 0 "[ . 1 . 2]" 1
626 1 95 SER H 1 96 SER H 3.440 . 3.440 2.474 2.184 2.786 . 0 0 "[ . 1 . 2]" 1
627 1 95 SER HA 1 102 LEU MD1 4.270 . 4.270 3.983 2.914 4.310 0.040 3 0 "[ . 1 . 2]" 1
628 1 95 SER HA 1 102 LEU MD2 5.500 . 5.500 4.785 4.271 5.373 . 0 0 "[ . 1 . 2]" 1
629 1 95 SER HA 1 102 LEU HG 5.500 . 5.500 4.977 4.400 5.477 . 0 0 "[ . 1 . 2]" 1
630 1 96 SER H 1 96 SER HB2 3.500 . 3.500 2.422 2.331 2.509 . 0 0 "[ . 1 . 2]" 1
631 1 96 SER H 1 96 SER QB 3.600 . 3.600 2.384 2.302 2.464 . 0 0 "[ . 1 . 2]" 1
632 1 96 SER H 1 97 PRO HD2 4.680 . 4.680 4.732 4.697 4.770 0.090 7 0 "[ . 1 . 2]" 1
633 1 96 SER H 1 102 LEU MD1 5.030 . 5.030 2.962 2.223 4.313 . 0 0 "[ . 1 . 2]" 1
634 1 96 SER H 1 102 LEU HG 4.600 . 4.600 4.501 3.689 4.677 0.077 13 0 "[ . 1 . 2]" 1
635 1 96 SER HA 1 97 PRO QD 3.750 . 3.750 2.060 1.928 2.177 . 0 0 "[ . 1 . 2]" 1
636 1 96 SER HA 1 97 PRO HD3 3.130 . 3.130 2.424 2.245 2.573 . 0 0 "[ . 1 . 2]" 1
637 1 96 SER HA 1 102 LEU MD1 4.960 . 4.960 4.411 4.040 4.967 0.007 11 0 "[ . 1 . 2]" 1
638 1 96 SER QB 1 101 ILE HB 4.650 . 4.650 3.283 2.549 4.295 . 0 0 "[ . 1 . 2]" 1
639 1 96 SER QB 1 102 LEU MD1 4.320 . 4.320 2.962 2.258 4.367 0.047 10 0 "[ . 1 . 2]" 1
640 1 96 SER HB2 1 102 LEU MD1 4.760 . 4.760 3.034 2.283 4.632 . 0 0 "[ . 1 . 2]" 1
641 1 96 SER HB3 1 98 ASN HA 5.370 . 5.370 5.339 5.083 5.429 0.059 13 0 "[ . 1 . 2]" 1
642 1 97 PRO QB 1 98 ASN HA 5.500 . 5.500 4.011 3.681 4.428 . 0 0 "[ . 1 . 2]" 1
643 1 97 PRO HD2 1 98 ASN H 4.760 . 4.760 3.098 2.733 3.682 . 0 0 "[ . 1 . 2]" 1
644 1 98 ASN H 1 98 ASN HB2 3.970 . 3.970 2.093 1.847 2.400 . 0 0 "[ . 1 . 2]" 1
645 1 98 ASN H 1 98 ASN HD22 4.740 . 4.740 5.146 5.115 5.206 0.466 7 0 "[ . 1 . 2]" 1
646 1 98 ASN H 1 101 ILE H 5.060 . 5.060 4.951 4.522 5.117 0.057 11 0 "[ . 1 . 2]" 1
647 1 98 ASN HA 1 98 ASN HD21 4.580 . 4.580 2.277 1.543 3.593 . 0 0 "[ . 1 . 2]" 1
648 1 98 ASN HA 1 98 ASN HD22 4.200 . 4.200 3.341 3.017 4.002 . 0 0 "[ . 1 . 2]" 1
649 1 98 ASN HA 1 99 GLU H 3.500 . 3.500 2.177 2.029 2.302 . 0 0 "[ . 1 . 2]" 1
650 1 98 ASN HA 1 100 GLN H 5.500 . 5.500 3.856 3.649 4.052 . 0 0 "[ . 1 . 2]" 1
651 1 98 ASN HA 1 100 GLN QG 4.270 . 4.270 4.237 3.998 4.356 0.086 20 0 "[ . 1 . 2]" 1
652 1 98 ASN HA 1 101 ILE H 5.000 . 5.000 4.374 4.208 4.577 . 0 0 "[ . 1 . 2]" 1
653 1 98 ASN HB2 1 99 GLU H 5.500 . 5.500 4.521 4.354 4.657 . 0 0 "[ . 1 . 2]" 1
654 1 98 ASN HB2 1 101 ILE H 5.490 . 5.490 4.491 4.207 4.796 . 0 0 "[ . 1 . 2]" 1
655 1 98 ASN HB2 1 101 ILE MD 5.050 . 5.050 2.910 2.649 3.496 . 0 0 "[ . 1 . 2]" 1
656 1 98 ASN HB3 1 99 GLU H 5.500 . 5.500 4.182 4.085 4.265 . 0 0 "[ . 1 . 2]" 1
657 1 98 ASN HB3 1 99 GLU HA 5.100 . 5.100 5.029 4.798 5.147 0.047 15 0 "[ . 1 . 2]" 1
658 1 98 ASN HB3 1 100 GLN H 5.330 . 5.330 4.254 4.123 4.416 . 0 0 "[ . 1 . 2]" 1
659 1 98 ASN HB3 1 100 GLN QG 5.500 . 5.500 3.919 3.742 4.088 . 0 0 "[ . 1 . 2]" 1
660 1 98 ASN HB3 1 101 ILE H 3.920 . 3.920 2.905 2.713 3.165 . 0 0 "[ . 1 . 2]" 1
661 1 98 ASN HB3 1 101 ILE HA 4.530 . 4.530 4.690 4.628 4.803 0.273 6 0 "[ . 1 . 2]" 1
662 1 98 ASN HB3 1 101 ILE HB 4.270 . 4.270 2.118 1.962 2.418 . 0 0 "[ . 1 . 2]" 1
663 1 98 ASN HD21 1 99 GLU H 5.500 . 5.500 3.069 2.328 4.277 . 0 0 "[ . 1 . 2]" 1
664 1 98 ASN HD21 1 99 GLU QB 5.500 . 5.500 4.554 3.979 5.430 . 0 0 "[ . 1 . 2]" 1
665 1 98 ASN HD21 1 100 GLN QG 5.500 . 5.500 2.760 2.022 3.483 . 0 0 "[ . 1 . 2]" 1
666 1 98 ASN HD21 1 101 ILE H 5.270 . 5.270 3.242 1.878 4.423 . 0 0 "[ . 1 . 2]" 1
667 1 98 ASN HD21 1 101 ILE MD 5.460 . 5.460 4.082 2.688 4.913 . 0 0 "[ . 1 . 2]" 1
668 1 98 ASN HD21 1 101 ILE QG 5.300 . 5.300 3.517 1.694 4.874 . 0 0 "[ . 1 . 2]" 1
669 1 98 ASN HD22 1 100 GLN HB2 5.500 . 5.500 4.709 4.152 5.214 . 0 0 "[ . 1 . 2]" 1
670 1 98 ASN HD22 1 100 GLN HB3 5.500 . 5.500 4.148 3.769 4.681 . 0 0 "[ . 1 . 2]" 1
671 1 98 ASN HD22 1 101 ILE H 5.500 . 5.500 3.615 3.112 3.837 . 0 0 "[ . 1 . 2]" 1
672 1 98 ASN HD22 1 101 ILE MD 5.080 . 5.080 4.025 3.122 4.778 . 0 0 "[ . 1 . 2]" 1
673 1 98 ASN HD22 1 101 ILE QG 5.500 . 5.500 3.342 2.267 4.084 . 0 0 "[ . 1 . 2]" 1
674 1 98 ASN HD22 1 102 LEU H 5.500 . 5.500 5.643 5.407 5.761 0.261 15 0 "[ . 1 . 2]" 1
675 1 99 GLU H 1 99 GLU HB2 3.850 . 3.850 2.604 2.298 2.806 . 0 0 "[ . 1 . 2]" 1
676 1 99 GLU H 1 99 GLU HG2 4.870 . 4.870 3.637 3.258 3.846 . 0 0 "[ . 1 . 2]" 1
677 1 99 GLU H 1 99 GLU HG3 5.440 . 5.440 2.576 2.112 3.063 . 0 0 "[ . 1 . 2]" 1
678 1 99 GLU H 1 100 GLN H 5.100 . 5.100 2.866 2.713 3.019 . 0 0 "[ . 1 . 2]" 1
679 1 99 GLU H 1 101 ILE H 5.500 . 5.500 4.208 4.077 4.337 . 0 0 "[ . 1 . 2]" 1
680 1 99 GLU H 1 102 LEU MD1 5.500 . 5.500 4.198 3.721 5.504 0.004 20 0 "[ . 1 . 2]" 1
681 1 99 GLU H 2 28 ILE MD 5.500 . 5.500 4.778 4.256 5.504 0.004 20 0 "[ . 1 . 2]" 1
682 1 99 GLU HA 1 99 GLU HG2 3.630 . 3.630 3.287 2.387 3.705 0.075 3 0 "[ . 1 . 2]" 1
683 1 99 GLU HA 1 99 GLU HG3 3.490 . 3.490 2.638 2.396 3.177 . 0 0 "[ . 1 . 2]" 1
684 1 99 GLU HA 1 101 ILE H 4.380 . 4.380 4.073 3.637 4.416 0.036 20 0 "[ . 1 . 2]" 1
685 1 99 GLU HA 1 102 LEU HB2 3.170 . 3.170 2.619 2.136 3.189 0.019 6 0 "[ . 1 . 2]" 1
686 1 99 GLU HA 1 102 LEU MD1 5.500 . 5.500 2.655 1.963 3.942 . 0 0 "[ . 1 . 2]" 1
687 1 99 GLU HA 2 28 ILE MD 3.540 . 3.540 2.725 1.970 3.550 0.010 13 0 "[ . 1 . 2]" 1
688 1 99 GLU QB 1 100 GLN H 3.720 . 3.720 2.779 2.521 3.275 . 0 0 "[ . 1 . 2]" 1
689 1 99 GLU QB 2 28 ILE MD 3.440 . 3.440 2.197 1.805 2.912 . 0 0 "[ . 1 . 2]" 1
690 1 99 GLU QB 2 28 ILE HG12 5.500 . 5.500 4.308 3.894 5.168 . 0 0 "[ . 1 . 2]" 1
691 1 99 GLU HB3 2 28 ILE MD 5.500 . 5.500 2.217 1.813 2.958 . 0 0 "[ . 1 . 2]" 1
692 1 99 GLU HG3 1 102 LEU HB2 5.110 . 5.110 5.049 4.666 5.177 0.067 5 0 "[ . 1 . 2]" 1
693 1 99 GLU HG3 2 28 ILE MD 5.500 . 5.500 3.791 3.061 4.849 . 0 0 "[ . 1 . 2]" 1
694 1 100 GLN H 1 100 GLN HB2 3.510 . 3.510 3.588 3.564 3.617 0.107 8 0 "[ . 1 . 2]" 1
695 1 100 GLN H 1 100 GLN HB3 3.400 . 3.400 2.660 2.497 2.916 . 0 0 "[ . 1 . 2]" 1
696 1 100 GLN H 1 100 GLN HG2 3.790 . 3.790 2.096 1.904 2.314 . 0 0 "[ . 1 . 2]" 1
697 1 100 GLN H 1 100 GLN QG 3.080 . 3.080 2.067 1.890 2.279 . 0 0 "[ . 1 . 2]" 1
698 1 100 GLN H 1 101 ILE H 3.620 . 3.620 2.565 2.425 2.712 . 0 0 "[ . 1 . 2]" 1
699 1 100 GLN H 1 101 ILE HA 5.260 . 5.260 5.093 4.929 5.256 . 0 0 "[ . 1 . 2]" 1
700 1 100 GLN H 1 101 ILE QG 4.290 . 4.290 4.212 3.948 4.268 . 0 0 "[ . 1 . 2]" 1
701 1 100 GLN HA 1 100 GLN HB3 2.850 . 2.850 2.421 2.339 2.495 . 0 0 "[ . 1 . 2]" 1
702 1 100 GLN HA 1 103 GLN H 4.190 . 4.190 3.601 2.953 4.294 0.104 8 0 "[ . 1 . 2]" 1
703 1 100 GLN HA 1 103 GLN HE21 5.500 . 5.500 2.976 2.077 4.133 . 0 0 "[ . 1 . 2]" 1
704 1 100 GLN HA 1 103 GLN HE22 4.620 . 4.620 3.235 1.919 4.424 . 0 0 "[ . 1 . 2]" 1
705 1 100 GLN HA 1 103 GLN HG2 4.450 . 4.450 2.687 2.019 4.037 . 0 0 "[ . 1 . 2]" 1
706 1 100 GLN HA 1 103 GLN HG3 4.170 . 4.170 3.257 2.023 4.198 0.028 8 0 "[ . 1 . 2]" 1
707 1 100 GLN HB2 1 100 GLN QG 2.560 . 2.560 2.321 2.272 2.378 . 0 0 "[ . 1 . 2]" 1
708 1 100 GLN HB2 1 101 ILE H 4.230 . 4.230 4.004 3.746 4.224 . 0 0 "[ . 1 . 2]" 1
709 1 100 GLN HB2 1 103 GLN HE21 5.500 . 5.500 4.641 2.662 5.511 0.011 3 0 "[ . 1 . 2]" 1
710 1 100 GLN HB2 1 103 GLN HE22 5.500 . 5.500 4.762 3.749 5.505 0.005 9 0 "[ . 1 . 2]" 1
711 1 100 GLN HB3 1 100 GLN QG 2.400 . 2.400 2.335 2.257 2.377 . 0 0 "[ . 1 . 2]" 1
712 1 100 GLN HE21 1 101 ILE MD 5.340 . 5.340 4.335 2.974 5.384 0.044 8 0 "[ . 1 . 2]" 1
713 1 100 GLN HE22 1 101 ILE MD 5.500 . 5.500 5.426 4.211 5.590 0.090 17 0 "[ . 1 . 2]" 1
714 1 100 GLN QG 1 101 ILE H 4.360 . 4.360 2.576 2.283 2.937 . 0 0 "[ . 1 . 2]" 1
715 1 100 GLN QG 1 101 ILE HA 4.500 . 4.500 3.562 3.272 3.931 . 0 0 "[ . 1 . 2]" 1
716 1 100 GLN QG 1 101 ILE MD 5.500 . 5.500 3.769 3.414 4.042 . 0 0 "[ . 1 . 2]" 1
717 1 100 GLN QG 1 101 ILE QG 5.500 . 5.500 2.417 1.976 2.608 . 0 0 "[ . 1 . 2]" 1
718 1 100 GLN HG2 1 101 ILE H 4.670 . 4.670 3.073 2.809 3.510 . 0 0 "[ . 1 . 2]" 1
719 1 101 ILE H 1 101 ILE QG 3.750 . 3.750 2.460 2.232 2.678 . 0 0 "[ . 1 . 2]" 1
720 1 101 ILE H 1 102 LEU H 3.500 . 3.500 2.267 2.106 2.401 . 0 0 "[ . 1 . 2]" 1
721 1 101 ILE H 1 104 GLU H 5.250 . 5.250 4.942 4.692 5.253 0.003 6 0 "[ . 1 . 2]" 1
722 1 101 ILE HA 1 101 ILE MG 3.470 . 3.470 2.548 2.463 2.675 . 0 0 "[ . 1 . 2]" 1
723 1 101 ILE HA 1 102 LEU HA 5.410 . 5.410 4.851 4.777 4.916 . 0 0 "[ . 1 . 2]" 1
724 1 101 ILE HA 1 104 GLU H 4.240 . 4.240 3.534 3.187 3.905 . 0 0 "[ . 1 . 2]" 1
725 1 101 ILE HA 1 104 GLU HB2 3.750 . 3.750 2.750 2.245 3.196 . 0 0 "[ . 1 . 2]" 1
726 1 101 ILE HA 1 104 GLU HB3 4.720 . 4.720 4.309 3.784 4.788 0.068 3 0 "[ . 1 . 2]" 1
727 1 101 ILE HB 1 102 LEU MD1 5.130 . 5.130 3.693 2.784 5.207 0.077 11 0 "[ . 1 . 2]" 1
728 1 102 LEU H 1 102 LEU HB2 3.960 . 3.960 2.275 1.992 2.459 . 0 0 "[ . 1 . 2]" 1
729 1 102 LEU H 1 102 LEU MD1 3.720 . 3.720 2.688 2.114 3.771 0.051 20 0 "[ . 1 . 2]" 1
730 1 102 LEU H 1 103 GLN HG2 4.270 . 4.270 3.966 3.599 4.323 0.053 9 0 "[ . 1 . 2]" 1
731 1 102 LEU HA 1 102 LEU HG 3.610 . 3.610 2.562 2.218 2.756 . 0 0 "[ . 1 . 2]" 1
732 1 102 LEU HA 1 103 GLN HG2 5.160 . 5.160 5.168 5.007 5.254 0.094 14 0 "[ . 1 . 2]" 1
733 1 102 LEU HB2 1 102 LEU MD1 3.460 . 3.460 2.342 2.013 2.572 . 0 0 "[ . 1 . 2]" 1
734 1 102 LEU HB2 1 102 LEU MD2 3.200 . 3.200 2.383 2.097 3.146 . 0 0 "[ . 1 . 2]" 1
735 1 102 LEU HB2 1 103 GLN H 3.600 . 3.600 2.737 2.314 3.604 0.004 11 0 "[ . 1 . 2]" 1
736 1 102 LEU HB2 1 103 GLN HA 5.470 . 5.470 4.779 4.237 5.524 0.054 11 0 "[ . 1 . 2]" 1
737 1 102 LEU HB2 1 103 GLN HG2 4.660 . 4.660 4.334 3.810 4.729 0.069 10 0 "[ . 1 . 2]" 1
738 1 102 LEU HB3 1 102 LEU MD2 2.900 . 2.900 2.255 2.156 2.416 . 0 0 "[ . 1 . 2]" 1
739 1 102 LEU HB3 1 103 GLN H 3.290 . 3.290 2.776 2.412 3.080 . 0 0 "[ . 1 . 2]" 1
740 1 102 LEU HB3 1 103 GLN HG2 5.150 . 5.150 4.476 2.880 5.179 0.029 6 0 "[ . 1 . 2]" 1
741 1 102 LEU MD2 1 103 GLN H 4.120 . 4.120 4.152 3.556 4.333 0.213 2 0 "[ . 1 . 2]" 1
742 1 102 LEU MD2 2 20 LEU QD 5.500 . 5.500 2.490 1.932 3.454 . 0 0 "[ . 1 . 2]" 1
743 1 102 LEU MD2 2 28 ILE MG 5.500 . 5.500 2.763 2.131 3.504 . 0 0 "[ . 1 . 2]" 1
744 1 103 GLN H 1 103 GLN HB2 3.380 . 3.380 3.373 2.806 3.527 0.147 2 0 "[ . 1 . 2]" 1
745 1 103 GLN H 1 103 GLN HE22 5.500 . 5.500 4.799 3.724 5.518 0.018 13 0 "[ . 1 . 2]" 1
746 1 103 GLN H 1 103 GLN HG2 3.540 . 3.540 2.048 1.713 2.339 . 0 0 "[ . 1 . 2]" 1
747 1 103 GLN H 1 103 GLN HG3 3.420 . 3.420 3.092 2.017 3.542 0.122 6 0 "[ . 1 . 2]" 1
748 1 103 GLN H 1 104 GLU H 4.230 . 4.230 2.839 2.615 3.044 . 0 0 "[ . 1 . 2]" 1
749 1 103 GLN H 2 28 ILE MD 4.290 . 4.290 3.562 3.014 4.145 . 0 0 "[ . 1 . 2]" 1
750 1 103 GLN H 2 28 ILE MG 5.500 . 5.500 4.189 3.584 5.067 . 0 0 "[ . 1 . 2]" 1
751 1 103 GLN HA 1 103 GLN HB2 3.020 . 3.020 2.582 2.397 2.973 . 0 0 "[ . 1 . 2]" 1
752 1 103 GLN HA 1 104 GLU HA 5.470 . 5.470 4.752 4.610 4.875 . 0 0 "[ . 1 . 2]" 1
753 1 103 GLN HA 1 106 LEU H 4.690 . 4.690 3.461 3.207 3.759 . 0 0 "[ . 1 . 2]" 1
754 1 103 GLN HA 1 107 TRP H 4.330 . 4.330 4.061 3.738 4.303 . 0 0 "[ . 1 . 2]" 1
755 1 103 GLN HA 2 28 ILE H 5.310 . 5.310 5.260 4.863 5.411 0.101 11 0 "[ . 1 . 2]" 1
756 1 103 GLN HA 2 28 ILE HG13 4.670 . 4.670 4.505 4.139 4.742 0.072 6 0 "[ . 1 . 2]" 1
757 1 103 GLN HA 2 28 ILE MG 5.500 . 5.500 3.377 2.902 3.953 . 0 0 "[ . 1 . 2]" 1
758 1 103 GLN HB2 1 103 GLN HE22 4.950 . 4.950 4.157 3.593 4.999 0.049 6 0 "[ . 1 . 2]" 1
759 1 103 GLN HB2 1 104 GLU H 4.060 . 4.060 3.239 2.115 3.891 . 0 0 "[ . 1 . 2]" 1
760 1 103 GLN HB3 1 103 GLN HG3 2.400 . 2.400 2.721 2.511 2.789 0.389 10 0 "[ . 1 . 2]" 1
761 1 103 GLN HB3 2 27 GLN HG3 5.500 . 5.500 4.926 2.497 5.540 0.040 3 0 "[ . 1 . 2]" 1
762 1 103 GLN HE21 2 27 GLN HB3 5.500 . 5.500 3.623 2.699 4.649 . 0 0 "[ . 1 . 2]" 1
763 1 103 GLN HE21 2 27 GLN HG2 5.480 . 5.480 4.333 2.612 5.177 . 0 0 "[ . 1 . 2]" 1
764 1 103 GLN HE21 2 27 GLN QG 4.270 . 4.270 3.834 2.560 4.360 0.090 5 0 "[ . 1 . 2]" 1
765 1 103 GLN HE21 2 27 GLN HG3 5.500 . 5.500 4.523 3.056 5.537 0.037 10 0 "[ . 1 . 2]" 1
766 1 103 GLN HE21 2 28 ILE MD 5.020 . 5.020 4.121 2.994 5.181 0.161 15 0 "[ . 1 . 2]" 1
767 1 103 GLN HE21 2 28 ILE HG12 5.500 . 5.500 3.785 2.411 5.351 . 0 0 "[ . 1 . 2]" 1
768 1 103 GLN HE22 1 103 GLN HG2 4.050 . 4.050 3.771 3.489 4.100 0.050 20 0 "[ . 1 . 2]" 1
769 1 103 GLN HE22 1 104 GLU H 5.500 . 5.500 5.663 5.588 5.726 0.226 13 0 "[ . 1 . 2]" 1
770 1 103 GLN HE22 2 27 GLN HB3 4.600 . 4.600 3.122 2.312 4.239 . 0 0 "[ . 1 . 2]" 1
771 1 103 GLN HE22 2 27 GLN HG2 5.170 . 5.170 3.424 2.217 5.149 . 0 0 "[ . 1 . 2]" 1
772 1 103 GLN HE22 2 28 ILE H 4.150 . 4.150 4.220 3.960 4.310 0.160 18 0 "[ . 1 . 2]" 1
773 1 103 GLN HE22 2 28 ILE MD 5.500 . 5.500 4.362 2.972 5.110 . 0 0 "[ . 1 . 2]" 1
774 1 103 GLN HE22 2 28 ILE HG12 5.500 . 5.500 4.449 3.378 5.212 . 0 0 "[ . 1 . 2]" 1
775 1 103 GLN HE22 2 28 ILE HG13 5.500 . 5.500 3.639 2.531 4.290 . 0 0 "[ . 1 . 2]" 1
776 1 103 GLN HG2 1 104 GLU H 4.570 . 4.570 2.591 1.933 4.163 . 0 0 "[ . 1 . 2]" 1
777 1 103 GLN HG3 1 104 GLU H 4.040 . 4.040 2.669 1.978 3.682 . 0 0 "[ . 1 . 2]" 1
778 1 104 GLU H 1 104 GLU HB2 3.430 . 3.430 2.339 2.149 2.621 . 0 0 "[ . 1 . 2]" 1
779 1 104 GLU H 1 104 GLU HB3 3.330 . 3.330 3.483 3.453 3.524 0.194 5 0 "[ . 1 . 2]" 1
780 1 104 GLU H 1 104 GLU HG3 3.610 . 3.610 2.322 1.830 3.631 0.021 3 0 "[ . 1 . 2]" 1
781 1 104 GLU H 1 105 ALA H 3.670 . 3.670 2.831 2.603 3.038 . 0 0 "[ . 1 . 2]" 1
782 1 104 GLU H 1 105 ALA MB 4.410 . 4.410 4.426 4.289 4.474 0.064 13 0 "[ . 1 . 2]" 1
783 1 104 GLU H 1 106 LEU H 4.600 . 4.600 4.203 3.866 4.618 0.018 20 0 "[ . 1 . 2]" 1
784 1 104 GLU HA 1 104 GLU HG3 3.710 . 3.710 2.959 2.513 3.578 . 0 0 "[ . 1 . 2]" 1
785 1 104 GLU HA 1 107 TRP H 4.140 . 4.140 3.138 2.932 3.472 . 0 0 "[ . 1 . 2]" 1
786 1 104 GLU HA 1 107 TRP HB3 4.140 . 4.140 2.903 2.134 4.175 0.035 13 0 "[ . 1 . 2]" 1
787 1 104 GLU HB3 1 105 ALA H 3.920 . 3.920 3.604 3.256 3.830 . 0 0 "[ . 1 . 2]" 1
788 1 104 GLU HG3 1 107 TRP HB2 5.500 . 5.500 5.121 4.258 5.562 0.062 3 0 "[ . 1 . 2]" 1
789 1 105 ALA H 1 105 ALA MB 3.290 . 3.290 2.207 2.157 2.243 . 0 0 "[ . 1 . 2]" 1
790 1 105 ALA H 1 106 LEU H 3.660 . 3.660 2.643 2.489 2.980 . 0 0 "[ . 1 . 2]" 1
791 1 105 ALA H 1 107 TRP H 5.040 . 5.040 3.990 3.786 4.309 . 0 0 "[ . 1 . 2]" 1
792 1 105 ALA H 1 107 TRP HB2 5.500 . 5.500 5.138 4.450 5.550 0.050 18 0 "[ . 1 . 2]" 1
793 1 105 ALA H 1 108 ALA H 5.500 . 5.500 4.934 4.703 5.181 . 0 0 "[ . 1 . 2]" 1
794 1 105 ALA MB 1 106 LEU H 3.990 . 3.990 2.380 2.187 2.549 . 0 0 "[ . 1 . 2]" 1
795 1 105 ALA MB 1 106 LEU HA 5.500 . 5.500 3.819 3.739 3.881 . 0 0 "[ . 1 . 2]" 1
796 1 105 ALA MB 1 107 TRP H 4.610 . 4.610 4.385 4.199 4.545 . 0 0 "[ . 1 . 2]" 1
797 1 106 LEU H 1 106 LEU QB 3.630 . 3.630 2.400 2.096 2.860 . 0 0 "[ . 1 . 2]" 1
798 1 106 LEU H 1 107 TRP H 5.490 . 5.490 2.558 2.311 2.755 . 0 0 "[ . 1 . 2]" 1
799 1 106 LEU H 1 107 TRP HA 5.500 . 5.500 5.197 4.957 5.371 . 0 0 "[ . 1 . 2]" 1
800 1 106 LEU H 1 107 TRP HB2 5.500 . 5.500 4.631 4.229 4.908 . 0 0 "[ . 1 . 2]" 1
801 1 106 LEU H 1 108 ALA H 5.260 . 5.260 4.115 3.998 4.315 . 0 0 "[ . 1 . 2]" 1
802 1 106 LEU HA 1 108 ALA H 5.110 . 5.110 4.099 3.826 4.391 . 0 0 "[ . 1 . 2]" 1
803 1 106 LEU HA 1 109 LEU H 3.870 . 3.870 3.403 3.104 3.707 . 0 0 "[ . 1 . 2]" 1
804 1 106 LEU QB 1 107 TRP H 3.590 . 3.590 2.503 2.242 3.439 . 0 0 "[ . 1 . 2]" 1
805 1 106 LEU HG 1 107 TRP H 4.090 . 4.090 3.911 2.497 4.148 0.058 16 0 "[ . 1 . 2]" 1
806 1 106 LEU HG 2 31 GLU HB2 5.500 . 5.500 4.653 2.531 5.555 0.055 3 0 "[ . 1 . 2]" 1
807 1 106 LEU HG 2 31 GLU HG2 4.660 . 4.660 4.372 2.798 4.739 0.079 16 0 "[ . 1 . 2]" 1
808 1 106 LEU HG 2 31 GLU QG 4.460 . 4.460 3.926 2.232 4.536 0.076 18 0 "[ . 1 . 2]" 1
809 1 107 TRP H 1 107 TRP HB2 3.650 . 3.650 2.364 2.012 2.545 . 0 0 "[ . 1 . 2]" 1
810 1 107 TRP H 1 107 TRP HB3 3.650 . 3.650 2.966 2.332 3.671 0.021 13 0 "[ . 1 . 2]" 1
811 1 107 TRP H 1 108 ALA H 3.800 . 3.800 2.749 2.635 2.918 . 0 0 "[ . 1 . 2]" 1
812 1 107 TRP HA 1 108 ALA MB 5.370 . 5.370 4.984 4.926 5.015 . 0 0 "[ . 1 . 2]" 1
813 1 107 TRP HA 1 109 LEU H 5.310 . 5.310 4.536 4.221 4.837 . 0 0 "[ . 1 . 2]" 1
814 1 107 TRP HA 1 110 SER H 4.790 . 4.790 3.594 3.217 4.117 . 0 0 "[ . 1 . 2]" 1
815 1 107 TRP HA 2 31 GLU HG2 5.180 . 5.180 3.316 1.940 5.082 . 0 0 "[ . 1 . 2]" 1
816 1 107 TRP HB2 1 108 ALA H 3.910 . 3.910 3.552 2.766 4.012 0.102 4 0 "[ . 1 . 2]" 1
817 1 107 TRP HB3 1 108 ALA H 4.000 . 4.000 3.014 2.430 3.893 . 0 0 "[ . 1 . 2]" 1
818 1 108 ALA H 1 108 ALA MB 3.490 . 3.490 2.278 2.241 2.331 . 0 0 "[ . 1 . 2]" 1
819 1 108 ALA H 1 109 LEU H 3.860 . 3.860 2.289 1.984 2.637 . 0 0 "[ . 1 . 2]" 1
820 1 108 ALA H 1 109 LEU HB3 5.040 . 5.040 5.016 3.737 5.280 0.240 4 0 "[ . 1 . 2]" 1
821 1 108 ALA H 1 109 LEU QD 4.260 . 4.260 4.276 3.731 4.562 0.302 10 0 "[ . 1 . 2]" 1
822 1 108 ALA H 1 110 SER H 4.960 . 4.960 3.810 3.561 4.065 . 0 0 "[ . 1 . 2]" 1
823 1 108 ALA H 1 111 ASN H 5.500 . 5.500 4.642 4.433 4.885 . 0 0 "[ . 1 . 2]" 1
824 1 108 ALA HA 1 111 ASN HB2 4.160 . 4.160 2.733 2.291 3.587 . 0 0 "[ . 1 . 2]" 1
825 1 108 ALA HA 1 111 ASN HB3 4.040 . 4.040 3.871 2.440 4.109 0.069 18 0 "[ . 1 . 2]" 1
826 1 108 ALA MB 1 109 LEU H 3.590 . 3.590 2.547 2.334 2.733 . 0 0 "[ . 1 . 2]" 1
827 1 108 ALA MB 1 111 ASN QD 5.500 . 5.500 4.335 3.341 5.403 . 0 0 "[ . 1 . 2]" 1
828 1 109 LEU H 1 109 LEU HB3 3.520 . 3.520 2.978 2.106 3.462 . 0 0 "[ . 1 . 2]" 1
829 1 109 LEU H 1 109 LEU QD 3.740 . 3.740 2.904 2.171 3.378 . 0 0 "[ . 1 . 2]" 1
830 1 109 LEU H 1 109 LEU HG 4.020 . 4.020 3.145 2.211 4.138 0.118 12 0 "[ . 1 . 2]" 1
831 1 109 LEU H 1 110 SER H 3.850 . 3.850 2.681 2.384 2.942 . 0 0 "[ . 1 . 2]" 1
832 1 109 LEU H 1 111 ASN H 5.500 . 5.500 3.946 3.659 4.080 . 0 0 "[ . 1 . 2]" 1
833 1 109 LEU H 1 111 ASN HB2 5.500 . 5.500 5.047 4.815 5.534 0.034 19 0 "[ . 1 . 2]" 1
834 1 109 LEU HA 1 111 ASN H 4.160 . 4.160 3.977 3.609 4.214 0.054 3 0 "[ . 1 . 2]" 1
835 1 109 LEU HA 1 112 ILE H 5.490 . 5.490 3.378 2.949 3.730 . 0 0 "[ . 1 . 2]" 1
836 1 109 LEU HA 1 112 ILE MD 3.920 . 3.920 2.540 2.230 2.834 . 0 0 "[ . 1 . 2]" 1
837 1 109 LEU HB2 1 109 LEU QD 3.200 . 3.200 2.158 1.992 2.322 . 0 0 "[ . 1 . 2]" 1
838 1 109 LEU HB3 1 109 LEU QD 3.080 . 3.080 2.196 2.087 2.356 . 0 0 "[ . 1 . 2]" 1
839 1 109 LEU QD 1 110 SER H 4.000 . 4.000 3.483 2.194 4.068 0.068 4 0 "[ . 1 . 2]" 1
840 1 109 LEU QD 1 112 ILE H 5.500 . 5.500 4.879 4.436 5.156 . 0 0 "[ . 1 . 2]" 1
841 1 109 LEU QD 1 112 ILE MD 3.200 . 3.200 2.863 1.977 3.437 0.237 8 0 "[ . 1 . 2]" 1
842 1 110 SER H 1 110 SER HB3 3.230 . 3.230 2.842 2.400 3.410 0.180 17 0 "[ . 1 . 2]" 1
843 1 110 SER H 1 111 ASN H 3.880 . 3.880 2.527 2.301 2.685 . 0 0 "[ . 1 . 2]" 1
844 1 110 SER H 1 111 ASN HB2 4.540 . 4.540 4.452 4.150 4.579 0.039 12 0 "[ . 1 . 2]" 1
845 1 110 SER H 1 112 ILE MD 5.490 . 5.490 4.926 4.667 5.314 . 0 0 "[ . 1 . 2]" 1
846 1 110 SER H 1 113 ALA H 5.500 . 5.500 4.870 4.575 5.415 . 0 0 "[ . 1 . 2]" 1
847 1 110 SER H 2 35 ALA MB 5.500 . 5.500 3.527 2.880 4.085 . 0 0 "[ . 1 . 2]" 1
848 1 110 SER HB2 2 35 ALA H 5.410 . 5.410 4.119 3.130 5.330 . 0 0 "[ . 1 . 2]" 1
849 1 110 SER HB2 2 35 ALA MB 5.500 . 5.500 3.133 2.074 4.173 . 0 0 "[ . 1 . 2]" 1
850 1 110 SER HB3 1 111 ASN H 4.200 . 4.200 3.437 2.641 4.237 0.037 4 0 "[ . 1 . 2]" 1
851 1 110 SER HB3 2 35 ALA MB 4.120 . 4.120 3.425 2.178 4.143 0.023 6 0 "[ . 1 . 2]" 1
852 1 111 ASN H 1 111 ASN HB2 3.590 . 3.590 2.222 2.045 2.616 . 0 0 "[ . 1 . 2]" 1
853 1 111 ASN H 1 111 ASN HB3 3.570 . 3.570 3.330 2.424 3.567 . 0 0 "[ . 1 . 2]" 1
854 1 111 ASN H 1 111 ASN QD 4.810 . 4.810 3.947 3.611 4.415 . 0 0 "[ . 1 . 2]" 1
855 1 111 ASN H 1 112 ILE H 5.500 . 5.500 2.497 2.317 2.622 . 0 0 "[ . 1 . 2]" 1
856 1 111 ASN H 1 112 ILE MG 4.190 . 4.190 4.255 4.200 4.293 0.103 11 0 "[ . 1 . 2]" 1
857 1 111 ASN HB2 1 112 ILE H 4.410 . 4.410 3.019 2.530 3.990 . 0 0 "[ . 1 . 2]" 1
858 1 111 ASN HB2 1 112 ILE MG 5.500 . 5.500 3.888 3.251 5.031 . 0 0 "[ . 1 . 2]" 1
859 1 111 ASN HB3 1 112 ILE H 4.500 . 4.500 3.229 2.473 3.594 . 0 0 "[ . 1 . 2]" 1
860 1 111 ASN HB3 1 112 ILE MG 4.860 . 4.860 3.697 3.274 3.991 . 0 0 "[ . 1 . 2]" 1
861 1 111 ASN QD 1 112 ILE MG 5.500 . 5.500 4.965 4.188 5.329 . 0 0 "[ . 1 . 2]" 1
862 1 112 ILE H 1 112 ILE HB 3.520 . 3.520 3.586 3.571 3.602 0.082 20 0 "[ . 1 . 2]" 1
863 1 112 ILE H 1 112 ILE MD 3.940 . 3.940 3.373 3.163 3.646 . 0 0 "[ . 1 . 2]" 1
864 1 112 ILE H 1 112 ILE MG 3.750 . 3.750 2.371 2.203 2.551 . 0 0 "[ . 1 . 2]" 1
865 1 112 ILE H 1 113 ALA HA 5.340 . 5.340 5.187 5.049 5.324 . 0 0 "[ . 1 . 2]" 1
866 1 112 ILE H 1 113 ALA MB 4.990 . 4.990 4.265 4.110 4.388 . 0 0 "[ . 1 . 2]" 1
867 1 112 ILE HA 1 112 ILE MD 3.870 . 3.870 3.746 3.675 4.061 0.191 17 0 "[ . 1 . 2]" 1
868 1 112 ILE HA 1 112 ILE MG 3.610 . 3.610 2.273 2.182 2.321 . 0 0 "[ . 1 . 2]" 1
869 1 112 ILE HA 1 114 SER H 4.240 . 4.240 3.738 3.402 4.107 . 0 0 "[ . 1 . 2]" 1
870 1 112 ILE HA 2 8 VAL MG2 5.500 . 5.500 5.452 4.569 5.628 0.128 10 0 "[ . 1 . 2]" 1
871 1 112 ILE HB 1 112 ILE MD 2.930 . 2.930 2.327 2.261 2.419 . 0 0 "[ . 1 . 2]" 1
872 1 112 ILE HB 1 113 ALA H 3.660 . 3.660 3.758 3.710 3.795 0.135 9 0 "[ . 1 . 2]" 1
873 1 112 ILE MD 1 113 ALA H 4.630 . 4.630 2.389 2.090 3.773 . 0 0 "[ . 1 . 2]" 1
874 1 112 ILE MD 1 113 ALA HA 4.390 . 4.390 2.808 2.545 4.460 0.070 17 0 "[ . 1 . 2]" 1
875 1 112 ILE MD 1 113 ALA MB 4.470 . 4.470 2.610 2.238 3.986 . 0 0 "[ . 1 . 2]" 1
876 1 112 ILE MD 2 8 VAL MG1 2.900 . 2.900 2.707 2.284 2.955 0.055 10 0 "[ . 1 . 2]" 1
877 1 113 ALA H 1 113 ALA MB 3.180 . 3.180 2.275 2.251 2.316 . 0 0 "[ . 1 . 2]" 1
878 1 113 ALA H 1 114 SER H 3.380 . 3.380 2.571 2.467 2.655 . 0 0 "[ . 1 . 2]" 1
879 1 113 ALA H 1 114 SER HA 5.240 . 5.240 5.165 5.057 5.282 0.042 6 0 "[ . 1 . 2]" 1
880 1 113 ALA H 1 114 SER QB 4.620 . 4.620 4.479 4.160 4.551 . 0 0 "[ . 1 . 2]" 1
881 1 113 ALA H 1 115 GLY H 5.390 . 5.390 4.437 4.038 5.104 . 0 0 "[ . 1 . 2]" 1
882 1 113 ALA H 2 4 GLN QG 4.710 . 4.710 4.388 3.936 4.784 0.074 17 0 "[ . 1 . 2]" 1
883 1 113 ALA H 2 8 VAL MG2 4.390 . 4.390 4.026 3.503 4.411 0.021 4 0 "[ . 1 . 2]" 1
884 1 113 ALA HA 1 115 GLY H 3.820 . 3.820 3.572 3.335 3.849 0.029 4 0 "[ . 1 . 2]" 1
885 1 113 ALA HA 2 8 VAL MG1 4.460 . 4.460 4.317 3.429 4.529 0.069 16 0 "[ . 1 . 2]" 1
886 1 113 ALA HA 2 8 VAL MG2 3.970 . 3.970 2.794 2.237 3.239 . 0 0 "[ . 1 . 2]" 1
887 1 113 ALA HA 2 39 ILE MG 5.500 . 5.500 4.144 3.549 4.936 . 0 0 "[ . 1 . 2]" 1
888 1 113 ALA MB 1 114 SER H 3.710 . 3.710 2.975 2.723 3.241 . 0 0 "[ . 1 . 2]" 1
889 1 113 ALA MB 1 114 SER HA 4.960 . 4.960 3.966 3.834 4.085 . 0 0 "[ . 1 . 2]" 1
890 1 113 ALA MB 1 115 GLY H 4.980 . 4.980 4.328 4.157 4.507 . 0 0 "[ . 1 . 2]" 1
891 1 113 ALA MB 2 5 ILE HA 5.410 . 5.410 3.922 3.125 4.452 . 0 0 "[ . 1 . 2]" 1
892 1 113 ALA MB 2 5 ILE MD 5.500 . 5.500 3.762 2.116 4.959 . 0 0 "[ . 1 . 2]" 1
893 1 113 ALA MB 2 5 ILE HG12 4.420 . 4.420 3.117 2.186 4.235 . 0 0 "[ . 1 . 2]" 1
894 1 113 ALA MB 2 5 ILE MG 4.460 . 4.460 3.932 3.373 4.496 0.036 8 0 "[ . 1 . 2]" 1
895 1 113 ALA MB 2 8 VAL MG1 3.720 . 3.720 2.907 2.296 3.497 . 0 0 "[ . 1 . 2]" 1
896 1 113 ALA MB 2 8 VAL MG2 5.500 . 5.500 2.722 2.099 3.329 . 0 0 "[ . 1 . 2]" 1
897 1 113 ALA MB 2 38 ASN H 5.500 . 5.500 4.783 4.402 5.304 . 0 0 "[ . 1 . 2]" 1
898 1 113 ALA MB 2 39 ILE H 5.500 . 5.500 3.853 3.268 4.328 . 0 0 "[ . 1 . 2]" 1
899 1 113 ALA MB 2 39 ILE MD 5.420 . 5.420 4.655 4.169 5.283 . 0 0 "[ . 1 . 2]" 1
900 1 113 ALA MB 2 39 ILE MG 5.080 . 5.080 2.430 2.040 3.074 . 0 0 "[ . 1 . 2]" 1
901 1 114 SER H 1 114 SER QB 3.400 . 3.400 2.326 2.244 2.391 . 0 0 "[ . 1 . 2]" 1
902 1 114 SER H 1 115 GLY H 3.290 . 3.290 2.753 2.415 3.361 0.071 4 0 "[ . 1 . 2]" 1
903 1 114 SER H 2 4 GLN QG 5.500 . 5.500 4.653 3.799 5.408 . 0 0 "[ . 1 . 2]" 1
904 1 114 SER H 2 38 ASN QB 5.250 . 5.250 4.225 3.544 5.015 . 0 0 "[ . 1 . 2]" 1
905 1 114 SER HA 1 115 GLY H 3.420 . 3.420 3.158 2.504 3.439 0.019 19 0 "[ . 1 . 2]" 1
906 1 115 GLY H 1 115 GLY HA2 2.950 . 2.950 2.892 2.809 2.964 0.014 4 0 "[ . 1 . 2]" 1
907 1 115 GLY HA3 2 4 GLN QG 5.460 . 5.460 3.907 2.996 5.318 . 0 0 "[ . 1 . 2]" 1
908 2 4 GLN H 2 4 GLN QG 4.330 . 4.330 3.638 2.559 4.098 . 0 0 "[ . 1 . 2]" 1
909 2 4 GLN H 2 5 ILE HA 5.500 . 5.500 4.989 4.798 5.170 . 0 0 "[ . 1 . 2]" 1
910 2 4 GLN H 2 5 ILE HB 4.780 . 4.780 4.679 4.408 4.816 0.036 17 0 "[ . 1 . 2]" 1
911 2 4 GLN H 2 6 GLN H 5.230 . 5.230 4.191 3.834 4.520 . 0 0 "[ . 1 . 2]" 1
912 2 4 GLN HA 2 4 GLN QG 3.360 . 3.360 3.004 2.431 3.463 0.103 13 0 "[ . 1 . 2]" 1
913 2 4 GLN HA 2 6 GLN H 4.440 . 4.440 4.040 3.666 4.505 0.065 14 0 "[ . 1 . 2]" 1
914 2 4 GLN HA 2 7 ALA H 4.410 . 4.410 3.598 3.378 3.946 . 0 0 "[ . 1 . 2]" 1
915 2 4 GLN HA 2 8 VAL H 4.560 . 4.560 4.535 4.238 4.690 0.130 2 0 "[ . 1 . 2]" 1
916 2 4 GLN QB 2 5 ILE HA 4.530 . 4.530 4.188 3.487 4.557 0.027 13 0 "[ . 1 . 2]" 1
917 2 4 GLN QB 2 7 ALA H 5.500 . 5.500 4.849 4.479 5.233 . 0 0 "[ . 1 . 2]" 1
918 2 4 GLN QB 2 7 ALA MB 5.500 . 5.500 4.447 3.674 5.006 . 0 0 "[ . 1 . 2]" 1
919 2 4 GLN QG 2 5 ILE H 4.320 . 4.320 3.544 2.371 4.362 0.042 3 0 "[ . 1 . 2]" 1
920 2 4 GLN QG 2 5 ILE HG12 5.500 . 5.500 4.430 2.650 5.543 0.043 20 0 "[ . 1 . 2]" 1
921 2 4 GLN QG 2 7 ALA H 5.500 . 5.500 4.747 4.010 5.577 0.077 11 0 "[ . 1 . 2]" 1
922 2 5 ILE H 2 5 ILE HB 3.530 . 3.530 2.653 2.524 2.736 . 0 0 "[ . 1 . 2]" 1
923 2 5 ILE H 2 5 ILE MD 3.660 . 3.660 3.384 3.075 3.502 . 0 0 "[ . 1 . 2]" 1
924 2 5 ILE H 2 5 ILE HG12 4.130 . 4.130 2.865 2.258 3.126 . 0 0 "[ . 1 . 2]" 1
925 2 5 ILE H 2 5 ILE HG13 4.040 . 4.040 1.845 1.608 3.745 . 0 0 "[ . 1 . 2]" 1
926 2 5 ILE H 2 5 ILE MG 4.010 . 4.010 3.726 3.681 3.804 . 0 0 "[ . 1 . 2]" 1
927 2 5 ILE H 2 6 GLN H 4.060 . 4.060 2.583 2.355 2.728 . 0 0 "[ . 1 . 2]" 1
928 2 5 ILE HA 2 5 ILE MG 3.310 . 3.310 2.282 2.190 2.401 . 0 0 "[ . 1 . 2]" 1
929 2 5 ILE HA 2 7 ALA H 4.990 . 4.990 4.088 3.824 4.427 . 0 0 "[ . 1 . 2]" 1
930 2 5 ILE HA 2 8 VAL HB 3.850 . 3.850 2.328 2.124 2.603 . 0 0 "[ . 1 . 2]" 1
931 2 5 ILE HA 2 8 VAL MG2 3.090 . 3.090 2.661 2.374 2.977 . 0 0 "[ . 1 . 2]" 1
932 2 5 ILE HA 2 9 ILE HA 5.500 . 5.500 5.567 5.515 5.615 0.115 15 0 "[ . 1 . 2]" 1
933 2 5 ILE HA 2 39 ILE MG 5.500 . 5.500 3.023 2.755 3.465 . 0 0 "[ . 1 . 2]" 1
934 2 5 ILE HB 2 5 ILE MD 2.920 . 2.920 2.466 2.318 3.126 0.206 10 0 "[ . 1 . 2]" 1
935 2 5 ILE HB 2 6 GLN H 4.560 . 4.560 2.521 2.308 2.799 . 0 0 "[ . 1 . 2]" 1
936 2 5 ILE HB 2 42 GLY H 5.500 . 5.500 5.409 4.779 5.590 0.090 8 0 "[ . 1 . 2]" 1
937 2 5 ILE HB 2 42 GLY HA3 4.210 . 4.210 3.809 2.841 4.231 0.021 14 0 "[ . 1 . 2]" 1
938 2 5 ILE HB 2 43 GLY H 4.510 . 4.510 4.419 3.060 4.590 0.080 19 0 "[ . 1 . 2]" 1
939 2 5 ILE MD 2 9 ILE MD 5.500 . 5.500 5.434 5.043 5.592 0.092 11 0 "[ . 1 . 2]" 1
940 2 5 ILE MD 2 39 ILE H 5.290 . 5.290 4.210 3.425 4.469 . 0 0 "[ . 1 . 2]" 1
941 2 5 ILE MD 2 39 ILE HA 4.210 . 4.210 1.941 1.803 2.116 . 0 0 "[ . 1 . 2]" 1
942 2 5 ILE MD 2 41 SER H 4.890 . 4.890 3.713 2.914 4.807 . 0 0 "[ . 1 . 2]" 1
943 2 5 ILE MD 2 42 GLY H 3.820 . 3.820 2.771 2.131 3.863 0.043 10 0 "[ . 1 . 2]" 1
944 2 5 ILE MD 2 42 GLY HA2 4.530 . 4.530 2.593 2.117 4.148 . 0 0 "[ . 1 . 2]" 1
945 2 5 ILE MD 2 42 GLY HA3 4.710 . 4.710 2.053 1.706 3.472 . 0 0 "[ . 1 . 2]" 1
946 2 5 ILE MD 2 43 GLY H 4.740 . 4.740 3.442 2.553 4.790 0.050 10 0 "[ . 1 . 2]" 1
947 2 5 ILE QG 2 8 VAL HB 4.580 . 4.580 4.185 3.653 4.607 0.027 10 0 "[ . 1 . 2]" 1
948 2 5 ILE HG12 2 6 GLN H 4.400 . 4.400 4.558 4.267 4.637 0.237 3 0 "[ . 1 . 2]" 1
949 2 5 ILE HG12 2 39 ILE HA 4.060 . 4.060 2.726 2.342 3.742 . 0 0 "[ . 1 . 2]" 1
950 2 5 ILE HG13 2 39 ILE HA 4.090 . 4.090 3.914 2.189 4.180 0.090 1 0 "[ . 1 . 2]" 1
951 2 5 ILE HG13 2 42 GLY HA2 4.830 . 4.830 4.658 3.167 4.892 0.062 7 0 "[ . 1 . 2]" 1
952 2 5 ILE MG 2 6 GLN H 4.310 . 4.310 3.538 3.307 3.765 . 0 0 "[ . 1 . 2]" 1
953 2 5 ILE MG 2 6 GLN HA 3.950 . 3.950 3.732 3.461 3.974 0.024 17 0 "[ . 1 . 2]" 1
954 2 5 ILE MG 2 8 VAL HB 5.500 . 5.500 3.261 2.932 3.669 . 0 0 "[ . 1 . 2]" 1
955 2 5 ILE MG 2 9 ILE H 4.130 . 4.130 3.313 3.094 3.583 . 0 0 "[ . 1 . 2]" 1
956 2 5 ILE MG 2 9 ILE MG 5.500 . 5.500 3.008 2.688 3.369 . 0 0 "[ . 1 . 2]" 1
957 2 5 ILE MG 2 39 ILE HA 3.350 . 3.350 2.402 2.078 2.764 . 0 0 "[ . 1 . 2]" 1
958 2 5 ILE MG 2 39 ILE MG 3.200 . 3.200 1.997 1.882 2.232 . 0 0 "[ . 1 . 2]" 1
959 2 5 ILE MG 2 40 ALA H 5.500 . 5.500 4.666 4.406 4.935 . 0 0 "[ . 1 . 2]" 1
960 2 5 ILE MG 2 43 GLY H 5.120 . 5.120 4.326 3.205 4.838 . 0 0 "[ . 1 . 2]" 1
961 2 6 GLN H 2 7 ALA H 3.800 . 3.800 2.858 2.729 3.078 . 0 0 "[ . 1 . 2]" 1
962 2 6 GLN H 2 7 ALA MB 5.500 . 5.500 4.584 4.450 4.831 . 0 0 "[ . 1 . 2]" 1
963 2 6 GLN H 2 8 VAL HB 5.290 . 5.290 5.145 4.940 5.330 0.040 8 0 "[ . 1 . 2]" 1
964 2 6 GLN QB 2 7 ALA H 4.660 . 4.660 2.766 2.488 3.574 . 0 0 "[ . 1 . 2]" 1
965 2 6 GLN QG 2 7 ALA H 5.500 . 5.500 4.021 2.403 4.653 . 0 0 "[ . 1 . 2]" 1
966 2 7 ALA H 2 7 ALA MB 2.910 . 2.910 2.277 2.253 2.303 . 0 0 "[ . 1 . 2]" 1
967 2 7 ALA H 2 8 VAL H 4.820 . 4.820 2.352 2.285 2.474 . 0 0 "[ . 1 . 2]" 1
968 2 7 ALA H 2 8 VAL HB 4.680 . 4.680 4.640 4.454 4.703 0.023 20 0 "[ . 1 . 2]" 1
969 2 7 ALA H 2 9 ILE H 4.230 . 4.230 4.095 3.961 4.253 0.023 2 0 "[ . 1 . 2]" 1
970 2 7 ALA H 2 9 ILE MG 4.840 . 4.840 4.064 3.792 4.251 . 0 0 "[ . 1 . 2]" 1
971 2 7 ALA HA 2 9 ILE MG 4.710 . 4.710 4.240 3.936 4.542 . 0 0 "[ . 1 . 2]" 1
972 2 7 ALA HA 2 10 ASP H 4.460 . 4.460 3.550 3.424 3.702 . 0 0 "[ . 1 . 2]" 1
973 2 7 ALA HA 2 10 ASP QB . . 3.240 2.598 2.344 2.961 . 0 0 "[ . 1 . 2]" 1
974 2 7 ALA HA 2 11 ALA H 4.770 . 4.770 4.357 4.122 4.587 . 0 0 "[ . 1 . 2]" 1
975 2 7 ALA MB 2 8 VAL H 4.200 . 4.200 2.487 2.310 2.670 . 0 0 "[ . 1 . 2]" 1
976 2 7 ALA MB 2 8 VAL HA 4.330 . 4.330 3.838 3.772 3.896 . 0 0 "[ . 1 . 2]" 1
977 2 7 ALA MB 2 10 ASP H 5.110 . 5.110 4.560 4.471 4.666 . 0 0 "[ . 1 . 2]" 1
978 2 7 ALA MB 2 10 ASP QB 4.920 . 4.920 3.862 3.612 4.092 . 0 0 "[ . 1 . 2]" 1
979 2 8 VAL H 2 8 VAL HB 3.600 . 3.600 2.678 2.607 2.734 . 0 0 "[ . 1 . 2]" 1
980 2 8 VAL H 2 8 VAL MG1 3.890 . 3.890 3.796 3.760 3.832 . 0 0 "[ . 1 . 2]" 1
981 2 8 VAL H 2 8 VAL MG2 3.460 . 3.460 1.946 1.845 2.061 . 0 0 "[ . 1 . 2]" 1
982 2 8 VAL H 2 9 ILE H 4.130 . 4.130 2.842 2.706 3.040 . 0 0 "[ . 1 . 2]" 1
983 2 8 VAL HA 2 8 VAL MG1 3.100 . 3.100 2.376 2.333 2.451 . 0 0 "[ . 1 . 2]" 1
984 2 8 VAL HA 2 11 ALA H 4.740 . 4.740 3.461 3.297 3.592 . 0 0 "[ . 1 . 2]" 1
985 2 8 VAL HA 2 11 ALA MB 4.210 . 4.210 2.868 2.568 3.131 . 0 0 "[ . 1 . 2]" 1
986 2 8 VAL HA 2 13 ALA H 5.440 . 5.440 5.370 5.131 5.484 0.044 18 0 "[ . 1 . 2]" 1
987 2 8 VAL HA 2 13 ALA MB 5.500 . 5.500 4.291 4.052 4.557 . 0 0 "[ . 1 . 2]" 1
988 2 8 VAL HB 2 9 ILE HA 4.970 . 4.970 4.084 3.922 4.235 . 0 0 "[ . 1 . 2]" 1
989 2 8 VAL HB 2 9 ILE HB 5.500 . 5.500 4.052 3.881 4.267 . 0 0 "[ . 1 . 2]" 1
990 2 8 VAL HB 2 9 ILE MG 4.790 . 4.790 4.259 4.103 4.413 . 0 0 "[ . 1 . 2]" 1
991 2 8 VAL MG1 2 9 ILE H 5.500 . 5.500 3.426 3.224 3.568 . 0 0 "[ . 1 . 2]" 1
992 2 8 VAL MG1 2 10 ASP H 5.280 . 5.280 4.802 4.699 4.877 . 0 0 "[ . 1 . 2]" 1
993 2 8 VAL MG1 2 11 ALA H 4.610 . 4.610 4.592 4.469 4.683 0.073 5 0 "[ . 1 . 2]" 1
994 2 8 VAL MG1 2 12 GLY H 5.430 . 5.430 4.433 4.130 5.088 . 0 0 "[ . 1 . 2]" 1
995 2 8 VAL MG1 2 13 ALA H 4.020 . 4.020 3.960 3.780 4.048 0.028 20 0 "[ . 1 . 2]" 1
996 2 8 VAL MG1 2 13 ALA HA 3.700 . 3.700 3.718 3.185 3.808 0.108 3 0 "[ . 1 . 2]" 1
997 2 8 VAL MG1 2 13 ALA MB 3.490 . 3.490 2.005 1.893 2.252 . 0 0 "[ . 1 . 2]" 1
998 2 8 VAL MG1 2 39 ILE MG 5.500 . 5.500 2.686 2.257 3.042 . 0 0 "[ . 1 . 2]" 1
999 2 8 VAL MG2 2 11 ALA H 5.500 . 5.500 5.258 5.147 5.362 . 0 0 "[ . 1 . 2]" 1
1000 2 9 ILE H 2 9 ILE HB 4.100 . 4.100 2.476 2.429 2.545 . 0 0 "[ . 1 . 2]" 1
1001 2 9 ILE H 2 9 ILE MD 4.400 . 4.400 4.403 4.361 4.443 0.043 15 0 "[ . 1 . 2]" 1
1002 2 9 ILE H 2 9 ILE MG 3.560 . 3.560 2.218 2.107 2.319 . 0 0 "[ . 1 . 2]" 1
1003 2 9 ILE H 2 10 ASP H 4.230 . 4.230 2.595 2.476 2.730 . 0 0 "[ . 1 . 2]" 1
1004 2 9 ILE H 2 13 ALA H 5.500 . 5.500 5.198 4.860 5.438 . 0 0 "[ . 1 . 2]" 1
1005 2 9 ILE H 2 39 ILE MG 4.230 . 4.230 4.277 4.184 4.347 0.117 9 0 "[ . 1 . 2]" 1
1006 2 9 ILE HA 2 9 ILE MG 3.420 . 3.420 3.240 3.217 3.256 . 0 0 "[ . 1 . 2]" 1
1007 2 9 ILE HA 2 11 ALA H 5.360 . 5.360 4.271 4.051 4.446 . 0 0 "[ . 1 . 2]" 1
1008 2 9 ILE HA 2 11 ALA MB 5.500 . 5.500 5.011 4.862 5.206 . 0 0 "[ . 1 . 2]" 1
1009 2 9 ILE HA 2 12 GLY H 5.200 . 5.200 3.722 3.357 3.928 . 0 0 "[ . 1 . 2]" 1
1010 2 9 ILE HA 2 13 ALA H 3.820 . 3.820 2.882 2.609 3.258 . 0 0 "[ . 1 . 2]" 1
1011 2 9 ILE HA 2 39 ILE MG 4.610 . 4.610 4.375 3.990 4.624 0.014 8 0 "[ . 1 . 2]" 1
1012 2 9 ILE HA 2 49 ALA MB 5.470 . 5.470 4.579 4.179 4.997 . 0 0 "[ . 1 . 2]" 1
1013 2 9 ILE HB 2 9 ILE MD 3.630 . 3.630 2.433 2.397 2.476 . 0 0 "[ . 1 . 2]" 1
1014 2 9 ILE HB 2 10 ASP H 4.010 . 4.010 4.002 3.927 4.037 0.027 13 0 "[ . 1 . 2]" 1
1015 2 9 ILE MD 2 10 ASP H 5.180 . 5.180 4.880 4.669 5.064 . 0 0 "[ . 1 . 2]" 1
1016 2 9 ILE MD 2 46 GLN HA 3.740 . 3.740 2.817 1.900 3.778 0.038 19 0 "[ . 1 . 2]" 1
1017 2 9 ILE MD 2 46 GLN HE21 5.210 . 5.210 3.644 2.384 5.222 0.012 9 0 "[ . 1 . 2]" 1
1018 2 9 ILE MD 2 46 GLN HE22 3.920 . 3.920 3.710 2.575 3.974 0.054 9 0 "[ . 1 . 2]" 1
1019 2 9 ILE MD 2 48 GLN H 5.050 . 5.050 4.738 4.248 5.099 0.049 9 0 "[ . 1 . 2]" 1
1020 2 9 ILE MD 2 48 GLN QB 4.830 . 4.830 3.714 3.106 4.411 . 0 0 "[ . 1 . 2]" 1
1021 2 9 ILE MD 2 49 ALA H 4.490 . 4.490 3.242 2.734 3.706 . 0 0 "[ . 1 . 2]" 1
1022 2 9 ILE MD 2 49 ALA MB 2.940 . 2.940 1.995 1.861 2.265 . 0 0 "[ . 1 . 2]" 1
1023 2 9 ILE MG 2 10 ASP H 3.570 . 3.570 2.390 2.249 2.544 . 0 0 "[ . 1 . 2]" 1
1024 2 9 ILE MG 2 10 ASP HA 4.120 . 4.120 3.237 3.121 3.309 . 0 0 "[ . 1 . 2]" 1
1025 2 9 ILE MG 2 10 ASP QB 4.390 . 4.390 2.953 2.711 3.156 . 0 0 "[ . 1 . 2]" 1
1026 2 9 ILE MG 2 11 ALA H 4.880 . 4.880 4.364 4.129 4.533 . 0 0 "[ . 1 . 2]" 1
1027 2 10 ASP H 2 10 ASP QB 3.590 . 3.590 2.251 2.203 2.313 . 0 0 "[ . 1 . 2]" 1
1028 2 10 ASP H 2 11 ALA H 3.780 . 3.780 2.413 2.268 2.575 . 0 0 "[ . 1 . 2]" 1
1029 2 10 ASP HA 2 12 GLY H 4.280 . 4.280 4.152 3.678 4.327 0.047 2 0 "[ . 1 . 2]" 1
1030 2 10 ASP QB 2 11 ALA H 3.940 . 3.940 2.741 2.601 2.880 . 0 0 "[ . 1 . 2]" 1
1031 2 11 ALA H 2 11 ALA MB 3.050 . 3.050 2.240 2.214 2.281 . 0 0 "[ . 1 . 2]" 1
1032 2 11 ALA H 2 12 GLY H 3.670 . 3.670 2.393 2.299 2.462 . 0 0 "[ . 1 . 2]" 1
1033 2 11 ALA H 2 12 GLY QA 4.550 . 4.550 4.281 4.236 4.312 . 0 0 "[ . 1 . 2]" 1
1034 2 11 ALA MB 2 12 GLY H 4.440 . 4.440 2.670 2.529 3.178 . 0 0 "[ . 1 . 2]" 1
1035 2 12 GLY H 2 13 ALA MB 5.500 . 5.500 3.846 3.674 4.086 . 0 0 "[ . 1 . 2]" 1
1036 2 12 GLY H 2 14 LEU H 5.050 . 5.050 4.730 4.429 4.992 . 0 0 "[ . 1 . 2]" 1
1037 2 13 ALA H 2 13 ALA MB 3.160 . 3.160 2.238 2.199 2.298 . 0 0 "[ . 1 . 2]" 1
1038 2 13 ALA H 2 14 LEU HA 5.160 . 5.160 5.040 4.933 5.178 0.018 16 0 "[ . 1 . 2]" 1
1039 2 13 ALA H 2 14 LEU HG 4.610 . 4.610 4.079 3.733 4.440 . 0 0 "[ . 1 . 2]" 1
1040 2 13 ALA MB 2 14 LEU H 3.920 . 3.920 2.458 2.208 2.603 . 0 0 "[ . 1 . 2]" 1
1041 2 14 LEU H 2 14 LEU QD 4.500 . 4.500 2.969 2.752 3.124 . 0 0 "[ . 1 . 2]" 1
1042 2 14 LEU H 2 14 LEU HG 5.450 . 5.450 2.264 2.002 2.437 . 0 0 "[ . 1 . 2]" 1
1043 2 14 LEU H 2 15 PRO HD2 4.550 . 4.550 2.684 2.117 3.141 . 0 0 "[ . 1 . 2]" 1
1044 2 14 LEU H 2 49 ALA MB 4.890 . 4.890 4.771 4.258 4.962 0.072 16 0 "[ . 1 . 2]" 1
1045 2 14 LEU HA 2 16 ALA H 4.520 . 4.520 4.289 3.693 4.580 0.060 18 0 "[ . 1 . 2]" 1
1046 2 14 LEU HA 2 17 LEU H 3.970 . 3.970 3.463 2.874 3.800 . 0 0 "[ . 1 . 2]" 1
1047 2 14 LEU QB 2 15 PRO HD2 4.930 . 4.930 3.327 2.834 4.549 . 0 0 "[ . 1 . 2]" 1
1048 2 14 LEU QB 2 15 PRO HD3 4.510 . 4.510 2.332 1.855 4.128 . 0 0 "[ . 1 . 2]" 1
1049 2 14 LEU QB 2 53 ALA HA 4.580 . 4.580 3.872 3.167 4.617 0.037 15 0 "[ . 1 . 2]" 1
1050 2 14 LEU QD 2 15 PRO HD3 4.960 . 4.960 3.483 1.914 3.993 . 0 0 "[ . 1 . 2]" 1
1051 2 14 LEU QD 2 49 ALA MB 5.500 . 5.500 1.972 1.750 2.603 . 0 0 "[ . 1 . 2]" 1
1052 2 14 LEU QD 2 50 VAL HA 5.500 . 5.500 3.834 2.735 5.045 . 0 0 "[ . 1 . 2]" 1
1053 2 14 LEU QD 2 52 GLU H 5.500 . 5.500 4.071 3.802 4.371 . 0 0 "[ . 1 . 2]" 1
1054 2 14 LEU QD 2 53 ALA H 4.120 . 4.120 3.077 2.838 3.334 . 0 0 "[ . 1 . 2]" 1
1055 2 14 LEU QD 2 53 ALA MB 2.810 . 2.810 2.024 1.792 2.770 . 0 0 "[ . 1 . 2]" 1
1056 2 14 LEU HG 2 15 PRO HD3 4.170 . 4.170 3.881 2.225 4.205 0.035 18 0 "[ . 1 . 2]" 1
1057 2 15 PRO CG 2 15 PRO N 2.340 . 2.340 2.350 2.324 2.365 0.025 12 0 "[ . 1 . 2]" 1
1058 2 15 PRO HA 2 18 VAL H 4.930 . 4.930 4.448 3.912 4.803 . 0 0 "[ . 1 . 2]" 1
1059 2 15 PRO HA 2 18 VAL MG2 4.030 . 4.030 2.889 2.189 3.544 . 0 0 "[ . 1 . 2]" 1
1060 2 15 PRO HB2 2 16 ALA H 4.090 . 4.090 2.533 2.134 3.339 . 0 0 "[ . 1 . 2]" 1
1061 2 15 PRO HB2 2 16 ALA HA 4.470 . 4.470 4.092 3.955 4.203 . 0 0 "[ . 1 . 2]" 1
1062 2 15 PRO HB3 2 16 ALA H 4.300 . 4.300 3.859 3.538 4.195 . 0 0 "[ . 1 . 2]" 1
1063 2 15 PRO HD2 2 16 ALA H 4.630 . 4.630 3.216 2.558 3.554 . 0 0 "[ . 1 . 2]" 1
1064 2 15 PRO HD2 2 16 ALA MB 4.970 . 4.970 4.641 3.968 4.992 0.022 18 0 "[ . 1 . 2]" 1
1065 2 15 PRO HD2 2 17 LEU H 5.180 . 5.180 4.674 4.081 5.102 . 0 0 "[ . 1 . 2]" 1
1066 2 15 PRO HD3 2 16 ALA H 4.770 . 4.770 4.296 3.896 4.522 . 0 0 "[ . 1 . 2]" 1
1067 2 16 ALA H 2 16 ALA MB 3.070 . 3.070 2.284 2.237 2.323 . 0 0 "[ . 1 . 2]" 1
1068 2 16 ALA H 2 18 VAL H 5.210 . 5.210 4.120 3.890 4.365 . 0 0 "[ . 1 . 2]" 1
1069 2 16 ALA HA 2 18 VAL MG2 4.570 . 4.570 4.110 3.358 4.479 . 0 0 "[ . 1 . 2]" 1
1070 2 16 ALA HA 2 19 GLN H 4.100 . 4.100 3.936 3.554 4.113 0.013 3 0 "[ . 1 . 2]" 1
1071 2 16 ALA HA 2 19 GLN QB 3.730 . 3.730 3.363 2.646 3.735 0.005 5 0 "[ . 1 . 2]" 1
1072 2 16 ALA MB 2 18 VAL H 5.230 . 5.230 4.601 4.434 4.811 . 0 0 "[ . 1 . 2]" 1
1073 2 16 ALA MB 2 19 GLN H 4.930 . 4.930 4.819 4.563 4.941 0.011 5 0 "[ . 1 . 2]" 1
1074 2 17 LEU H 2 17 LEU QD 4.730 . 4.730 3.014 2.092 3.658 . 0 0 "[ . 1 . 2]" 1
1075 2 17 LEU H 2 18 VAL H 3.890 . 3.890 2.876 2.698 3.013 . 0 0 "[ . 1 . 2]" 1
1076 2 17 LEU H 2 19 GLN H 5.070 . 5.070 4.433 4.152 4.749 . 0 0 "[ . 1 . 2]" 1
1077 2 17 LEU H 2 20 LEU HG 4.580 . 4.580 4.533 4.128 4.703 0.123 4 0 "[ . 1 . 2]" 1
1078 2 17 LEU QB 2 18 VAL H 3.760 . 3.760 2.591 2.339 2.888 . 0 0 "[ . 1 . 2]" 1
1079 2 17 LEU QD 2 36 LEU H 3.900 . 3.900 3.128 2.877 3.469 . 0 0 "[ . 1 . 2]" 1
1080 2 17 LEU QD 2 36 LEU HA 2.990 . 2.990 2.585 2.111 2.911 . 0 0 "[ . 1 . 2]" 1
1081 2 17 LEU QD 2 36 LEU QB 2.890 . 2.890 2.106 1.894 2.652 . 0 0 "[ . 1 . 2]" 1
1082 2 17 LEU QD 2 36 LEU HG 3.520 . 3.520 2.805 2.111 3.472 . 0 0 "[ . 1 . 2]" 1
1083 2 17 LEU HG 2 36 LEU QB 5.500 . 5.500 3.549 2.668 5.097 . 0 0 "[ . 1 . 2]" 1
1084 2 18 VAL H 2 18 VAL HB 3.680 . 3.680 3.668 3.610 3.693 0.013 11 0 "[ . 1 . 2]" 1
1085 2 18 VAL H 2 18 VAL MG2 3.690 . 3.690 2.111 1.914 2.229 . 0 0 "[ . 1 . 2]" 1
1086 2 18 VAL H 2 19 GLN H 3.950 . 3.950 2.775 2.616 3.004 . 0 0 "[ . 1 . 2]" 1
1087 2 18 VAL H 2 53 ALA MB 4.660 . 4.660 4.223 3.695 4.634 . 0 0 "[ . 1 . 2]" 1
1088 2 18 VAL HA 2 18 VAL MG1 3.200 . 3.200 2.322 2.253 2.402 . 0 0 "[ . 1 . 2]" 1
1089 2 18 VAL HA 2 18 VAL MG2 3.170 . 3.170 3.213 3.179 3.231 0.061 17 0 "[ . 1 . 2]" 1
1090 2 18 VAL HA 2 21 LEU H 4.610 . 4.610 3.879 3.328 4.231 . 0 0 "[ . 1 . 2]" 1
1091 2 18 VAL HA 2 21 LEU QD 4.120 . 4.120 3.571 2.441 4.137 0.017 9 0 "[ . 1 . 2]" 1
1092 2 18 VAL HA 2 53 ALA MB 4.790 . 4.790 3.338 2.808 4.139 . 0 0 "[ . 1 . 2]" 1
1093 2 18 VAL HB 2 19 GLN H 4.180 . 4.180 3.764 3.540 3.924 . 0 0 "[ . 1 . 2]" 1
1094 2 18 VAL HB 2 53 ALA MB 4.970 . 4.970 4.059 3.463 4.663 . 0 0 "[ . 1 . 2]" 1
1095 2 18 VAL MG1 2 19 GLN H 3.880 . 3.880 3.936 3.881 3.963 0.083 8 0 "[ . 1 . 2]" 1
1096 2 18 VAL MG2 2 19 GLN H 3.860 . 3.860 2.155 1.899 2.315 . 0 0 "[ . 1 . 2]" 1
1097 2 18 VAL MG2 2 19 GLN HA 4.170 . 4.170 3.317 3.117 3.459 . 0 0 "[ . 1 . 2]" 1
1098 2 18 VAL MG2 2 19 GLN QB 4.070 . 4.070 2.670 2.384 2.823 . 0 0 "[ . 1 . 2]" 1
1099 2 18 VAL MG2 2 19 GLN HG3 4.560 . 4.560 4.496 4.175 4.625 0.065 7 0 "[ . 1 . 2]" 1
1100 2 18 VAL MG2 2 20 LEU H 5.160 . 5.160 4.236 3.882 4.367 . 0 0 "[ . 1 . 2]" 1
1101 2 18 VAL MG2 2 20 LEU HG 5.420 . 5.420 5.378 5.034 5.596 0.176 2 0 "[ . 1 . 2]" 1
1102 2 18 VAL MG2 2 21 LEU QD 5.500 . 5.500 5.173 4.526 5.456 . 0 0 "[ . 1 . 2]" 1
1103 2 18 VAL MG2 2 53 ALA HA 4.720 . 4.720 4.621 4.361 4.766 0.046 2 0 "[ . 1 . 2]" 1
1104 2 19 GLN H 2 19 GLN HB2 3.180 . 3.180 2.129 2.026 2.271 . 0 0 "[ . 1 . 2]" 1
1105 2 19 GLN H 2 19 GLN QB 3.060 . 3.060 2.028 1.966 2.080 . 0 0 "[ . 1 . 2]" 1
1106 2 19 GLN H 2 19 GLN QG 3.530 . 3.530 3.708 3.618 3.775 0.245 3 0 "[ . 1 . 2]" 1
1107 2 19 GLN H 2 20 LEU H 3.520 . 3.520 2.465 2.283 2.695 . 0 0 "[ . 1 . 2]" 1
1108 2 19 GLN H 2 20 LEU HG 4.710 . 4.710 4.031 3.624 4.756 0.046 8 0 "[ . 1 . 2]" 1
1109 2 19 GLN HA 2 19 GLN QB 2.760 . 2.760 2.448 2.385 2.516 . 0 0 "[ . 1 . 2]" 1
1110 2 19 GLN HA 2 19 GLN HG2 2.750 . 2.750 2.301 2.220 2.415 . 0 0 "[ . 1 . 2]" 1
1111 2 19 GLN HA 2 20 LEU QD 5.500 . 5.500 4.755 3.776 5.275 . 0 0 "[ . 1 . 2]" 1
1112 2 19 GLN QB 2 20 LEU H 3.710 . 3.710 2.415 2.202 2.760 . 0 0 "[ . 1 . 2]" 1
1113 2 19 GLN QB 2 20 LEU HG 3.780 . 3.780 3.241 2.314 3.990 0.210 2 0 "[ . 1 . 2]" 1
1114 2 19 GLN HB3 2 19 GLN HE22 5.500 . 5.500 4.034 3.446 4.451 . 0 0 "[ . 1 . 2]" 1
1115 2 19 GLN HB3 2 20 LEU H 3.830 . 3.830 2.469 2.224 2.912 . 0 0 "[ . 1 . 2]" 1
1116 2 19 GLN HE21 2 23 SER HA 5.500 . 5.500 5.072 4.258 5.574 0.074 5 0 "[ . 1 . 2]" 1
1117 2 19 GLN HE22 2 23 SER HA 4.740 . 4.740 4.228 3.652 4.749 0.009 7 0 "[ . 1 . 2]" 1
1118 2 19 GLN HE22 2 23 SER HB2 5.500 . 5.500 5.145 3.582 5.559 0.059 17 0 "[ . 1 . 2]" 1
1119 2 19 GLN HE22 2 23 SER HB3 5.500 . 5.500 4.623 4.149 5.367 . 0 0 "[ . 1 . 2]" 1
1120 2 20 LEU H 2 20 LEU HB3 3.470 . 3.470 3.134 2.915 3.503 0.033 11 0 "[ . 1 . 2]" 1
1121 2 20 LEU H 2 20 LEU QD 3.520 . 3.520 2.645 2.155 2.899 . 0 0 "[ . 1 . 2]" 1
1122 2 20 LEU H 2 20 LEU HG 3.810 . 3.810 2.269 1.924 3.399 . 0 0 "[ . 1 . 2]" 1
1123 2 20 LEU H 2 21 LEU H 3.640 . 3.640 2.485 2.022 2.638 . 0 0 "[ . 1 . 2]" 1
1124 2 20 LEU H 2 21 LEU HB2 4.320 . 4.320 4.246 3.681 4.390 0.070 1 0 "[ . 1 . 2]" 1
1125 2 20 LEU H 2 21 LEU QD 4.310 . 4.310 4.316 3.863 4.538 0.228 2 0 "[ . 1 . 2]" 1
1126 2 20 LEU HA 2 20 LEU QD 2.940 . 2.940 2.669 1.863 3.098 0.158 18 0 "[ . 1 . 2]" 1
1127 2 20 LEU HB2 2 23 SER H 5.270 . 5.270 4.531 3.872 5.413 0.143 8 0 "[ . 1 . 2]" 1
1128 2 20 LEU HB3 2 20 LEU HG 2.960 . 2.960 2.622 2.458 2.997 0.037 17 0 "[ . 1 . 2]" 1
1129 2 20 LEU HB3 2 23 SER HB3 4.830 . 4.830 3.307 2.875 4.113 . 0 0 "[ . 1 . 2]" 1
1130 2 20 LEU QD 2 23 SER HB3 3.490 . 3.490 3.171 2.218 3.568 0.078 7 0 "[ . 1 . 2]" 1
1131 2 20 LEU QD 2 28 ILE HA 5.500 . 5.500 4.264 4.012 4.788 . 0 0 "[ . 1 . 2]" 1
1132 2 20 LEU QD 2 28 ILE MG 5.460 . 5.460 1.990 1.814 2.156 . 0 0 "[ . 1 . 2]" 1
1133 2 21 LEU H 2 21 LEU HB2 4.110 . 4.110 2.069 1.991 2.157 . 0 0 "[ . 1 . 2]" 1
1134 2 21 LEU H 2 21 LEU QD 3.830 . 3.830 2.979 2.569 3.415 . 0 0 "[ . 1 . 2]" 1
1135 2 21 LEU H 2 21 LEU MD2 4.440 . 4.440 3.417 2.880 4.203 . 0 0 "[ . 1 . 2]" 1
1136 2 21 LEU H 2 22 SER H 5.420 . 5.420 2.542 2.275 2.753 . 0 0 "[ . 1 . 2]" 1
1137 2 21 LEU H 2 22 SER HA 5.500 . 5.500 5.156 4.886 5.327 . 0 0 "[ . 1 . 2]" 1
1138 2 21 LEU HA 2 21 LEU QD 3.210 . 3.210 1.963 1.864 2.429 . 0 0 "[ . 1 . 2]" 1
1139 2 21 LEU HA 2 29 LEU MD2 5.500 . 5.500 4.278 4.010 4.764 . 0 0 "[ . 1 . 2]" 1
1140 2 21 LEU HB3 2 22 SER H 4.410 . 4.410 3.567 3.201 3.876 . 0 0 "[ . 1 . 2]" 1
1141 2 21 LEU HB3 2 22 SER HA 5.090 . 5.090 4.331 4.173 4.487 . 0 0 "[ . 1 . 2]" 1
1142 2 21 LEU HB3 2 29 LEU MD1 5.500 . 5.500 3.887 3.546 4.211 . 0 0 "[ . 1 . 2]" 1
1143 2 21 LEU QD 2 29 LEU MD1 3.170 . 3.170 2.365 1.932 3.181 0.011 11 0 "[ . 1 . 2]" 1
1144 2 21 LEU QD 2 32 ALA MB 3.380 . 3.380 2.090 1.832 2.508 . 0 0 "[ . 1 . 2]" 1
1145 2 21 LEU QD 2 33 LEU H 3.820 . 3.820 3.568 3.225 3.842 0.022 4 0 "[ . 1 . 2]" 1
1146 2 21 LEU QD 2 33 LEU HA 3.690 . 3.690 2.786 2.116 3.389 . 0 0 "[ . 1 . 2]" 1
1147 2 21 LEU QD 2 55 ALA MB 3.910 . 3.910 2.660 2.012 3.474 . 0 0 "[ . 1 . 2]" 1
1148 2 21 LEU QD 2 58 LYS HB2 5.500 . 5.500 3.743 3.018 4.308 . 0 0 "[ . 1 . 2]" 1
1149 2 21 LEU QD 2 58 LYS QG 3.700 . 3.700 2.250 1.944 2.726 . 0 0 "[ . 1 . 2]" 1
1150 2 21 LEU QD 2 59 LEU HA 5.500 . 5.500 4.480 3.994 5.157 . 0 0 "[ . 1 . 2]" 1
1151 2 21 LEU QD 2 59 LEU QD 5.070 . 5.070 2.539 2.212 2.933 . 0 0 "[ . 1 . 2]" 1
1152 2 21 LEU MD1 2 22 SER H 5.170 . 5.170 4.610 4.354 4.716 . 0 0 "[ . 1 . 2]" 1
1153 2 21 LEU MD1 2 23 SER H 5.500 . 5.500 5.011 4.865 5.199 . 0 0 "[ . 1 . 2]" 1
1154 2 21 LEU MD1 2 33 LEU H 4.360 . 4.360 3.906 3.287 4.372 0.012 7 0 "[ . 1 . 2]" 1
1155 2 21 LEU HG 2 29 LEU MD1 5.500 . 5.500 3.953 2.847 4.838 . 0 0 "[ . 1 . 2]" 1
1156 2 21 LEU HG 2 36 LEU MD1 5.500 . 5.500 3.061 2.147 4.827 . 0 0 "[ . 1 . 2]" 1
1157 2 21 LEU HG 2 55 ALA MB 5.500 . 5.500 3.394 2.431 4.547 . 0 0 "[ . 1 . 2]" 1
1158 2 22 SER H 2 22 SER HB3 3.740 . 3.740 3.510 3.053 3.661 . 0 0 "[ . 1 . 2]" 1
1159 2 22 SER H 2 23 SER H 3.400 . 3.400 2.297 2.147 2.442 . 0 0 "[ . 1 . 2]" 1
1160 2 22 SER H 2 23 SER HA 4.930 . 4.930 4.189 4.072 4.377 . 0 0 "[ . 1 . 2]" 1
1161 2 22 SER H 2 29 LEU HB2 5.200 . 5.200 5.283 5.245 5.310 0.110 18 0 "[ . 1 . 2]" 1
1162 2 22 SER H 2 29 LEU MD1 4.680 . 4.680 3.748 3.579 3.892 . 0 0 "[ . 1 . 2]" 1
1163 2 22 SER H 2 58 LYS HE3 4.310 . 4.310 4.386 4.010 4.437 0.127 6 0 "[ . 1 . 2]" 1
1164 2 22 SER HA 2 22 SER HB2 2.680 . 2.680 2.835 2.528 2.933 0.253 15 0 "[ . 1 . 2]" 1
1165 2 22 SER HA 2 22 SER HB3 3.000 . 3.000 2.357 2.260 2.456 . 0 0 "[ . 1 . 2]" 1
1166 2 22 SER HA 2 23 SER H 3.300 . 3.300 3.153 3.059 3.295 . 0 0 "[ . 1 . 2]" 1
1167 2 22 SER HA 2 29 LEU HB2 5.500 . 5.500 5.330 5.132 5.535 0.035 7 0 "[ . 1 . 2]" 1
1168 2 22 SER HA 2 29 LEU MD1 3.690 . 3.690 3.673 3.323 3.765 0.075 7 0 "[ . 1 . 2]" 1
1169 2 22 SER HA 2 29 LEU MD2 3.840 . 3.840 3.697 3.389 3.877 0.037 2 0 "[ . 1 . 2]" 1
1170 2 22 SER HA 2 58 LYS HD2 5.310 . 5.310 3.219 2.781 4.616 . 0 0 "[ . 1 . 2]" 1
1171 2 22 SER HA 2 58 LYS QD 3.860 . 3.860 3.116 2.744 4.043 0.183 7 0 "[ . 1 . 2]" 1
1172 2 22 SER HA 2 58 LYS HE2 3.080 . 3.080 2.981 2.256 3.146 0.066 19 0 "[ . 1 . 2]" 1
1173 2 22 SER HA 2 58 LYS HE3 2.730 . 2.730 2.510 2.000 2.744 0.014 1 0 "[ . 1 . 2]" 1
1174 2 22 SER HA 2 58 LYS QG 4.390 . 4.390 4.104 3.721 4.233 . 0 0 "[ . 1 . 2]" 1
1175 2 22 SER HA 2 62 LEU MD1 4.640 . 4.640 3.961 3.516 4.362 . 0 0 "[ . 1 . 2]" 1
1176 2 22 SER HA 2 62 LEU MD2 4.600 . 4.600 4.596 4.387 4.667 0.067 9 0 "[ . 1 . 2]" 1
1177 2 22 SER HB2 2 23 SER H 4.870 . 4.870 3.855 3.481 4.403 . 0 0 "[ . 1 . 2]" 1
1178 2 22 SER HB3 2 58 LYS HE3 3.410 . 3.410 2.679 1.840 3.507 0.097 15 0 "[ . 1 . 2]" 1
1179 2 23 SER H 2 23 SER HB2 3.680 . 3.680 3.522 2.696 3.643 . 0 0 "[ . 1 . 2]" 1
1180 2 23 SER H 2 23 SER HB3 3.780 . 3.780 2.554 2.356 2.808 . 0 0 "[ . 1 . 2]" 1
1181 2 23 SER H 2 29 LEU HB3 5.500 . 5.500 4.983 4.833 5.150 . 0 0 "[ . 1 . 2]" 1
1182 2 23 SER H 2 29 LEU MD1 4.140 . 4.140 2.808 2.533 3.014 . 0 0 "[ . 1 . 2]" 1
1183 2 23 SER H 2 29 LEU MD2 4.260 . 4.260 3.419 3.245 3.636 . 0 0 "[ . 1 . 2]" 1
1184 2 23 SER HA 2 24 PRO HD2 3.920 . 3.920 2.238 2.074 2.432 . 0 0 "[ . 1 . 2]" 1
1185 2 23 SER HA 2 24 PRO HD3 2.970 . 2.970 2.313 2.204 2.419 . 0 0 "[ . 1 . 2]" 1
1186 2 23 SER HA 2 24 PRO QG 4.200 . 4.200 3.924 3.834 4.000 . 0 0 "[ . 1 . 2]" 1
1187 2 23 SER HA 2 25 ASN H 4.110 . 4.110 3.803 3.594 4.113 0.003 12 0 "[ . 1 . 2]" 1
1188 2 23 SER HA 2 29 LEU MD2 4.930 . 4.930 4.933 4.808 4.973 0.043 6 0 "[ . 1 . 2]" 1
1189 2 23 SER HB2 2 29 LEU HB2 4.910 . 4.910 4.119 3.944 4.706 . 0 0 "[ . 1 . 2]" 1
1190 2 23 SER HB3 2 25 ASN H 4.930 . 4.930 4.355 3.892 4.706 . 0 0 "[ . 1 . 2]" 1
1191 2 23 SER HB3 2 29 LEU HB2 4.060 . 4.060 3.911 2.705 4.092 0.032 2 0 "[ . 1 . 2]" 1
1192 2 23 SER HB3 2 29 LEU MD1 4.380 . 4.380 4.356 3.679 4.455 0.075 17 0 "[ . 1 . 2]" 1
1193 2 24 PRO HA 2 25 ASN HA 5.500 . 5.500 4.740 4.673 4.850 . 0 0 "[ . 1 . 2]" 1
1194 2 24 PRO HD3 2 25 ASN H 4.290 . 4.290 3.838 3.646 3.994 . 0 0 "[ . 1 . 2]" 1
1195 2 24 PRO QG 2 25 ASN H 4.340 . 4.340 2.695 2.400 3.307 . 0 0 "[ . 1 . 2]" 1
1196 2 24 PRO QG 2 25 ASN HB3 4.740 . 4.740 4.615 4.344 4.773 0.033 6 0 "[ . 1 . 2]" 1
1197 2 25 ASN H 2 25 ASN HB2 3.920 . 3.920 2.498 2.361 2.721 . 0 0 "[ . 1 . 2]" 1
1198 2 25 ASN H 2 25 ASN HB3 3.550 . 3.550 2.668 2.580 2.731 . 0 0 "[ . 1 . 2]" 1
1199 2 25 ASN H 2 25 ASN HD21 5.110 . 5.110 4.565 4.433 4.646 . 0 0 "[ . 1 . 2]" 1
1200 2 25 ASN H 2 28 ILE MD 4.310 . 4.310 3.825 3.490 4.075 . 0 0 "[ . 1 . 2]" 1
1201 2 25 ASN HA 2 25 ASN HD21 3.480 . 3.480 3.076 2.302 3.571 0.091 5 0 "[ . 1 . 2]" 1
1202 2 25 ASN HA 2 25 ASN HD22 4.680 . 4.680 3.907 3.557 4.171 . 0 0 "[ . 1 . 2]" 1
1203 2 25 ASN HA 2 26 GLU H 3.500 . 3.500 2.107 1.971 2.189 . 0 0 "[ . 1 . 2]" 1
1204 2 25 ASN HA 2 27 GLN H 3.980 . 3.980 3.906 3.610 4.057 0.077 17 0 "[ . 1 . 2]" 1
1205 2 25 ASN HA 2 27 GLN HB2 5.500 . 5.500 5.471 5.110 5.592 0.092 15 0 "[ . 1 . 2]" 1
1206 2 25 ASN HA 2 28 ILE MD 4.490 . 4.490 4.522 4.440 4.550 0.060 1 0 "[ . 1 . 2]" 1
1207 2 25 ASN HA 2 28 ILE HG13 5.500 . 5.500 5.157 4.933 5.514 0.014 6 0 "[ . 1 . 2]" 1
1208 2 25 ASN HB2 2 26 GLU H 4.570 . 4.570 4.519 4.397 4.588 0.018 11 0 "[ . 1 . 2]" 1
1209 2 25 ASN HB2 2 28 ILE H 5.360 . 5.360 4.777 4.581 4.928 . 0 0 "[ . 1 . 2]" 1
1210 2 25 ASN HB2 2 28 ILE HB 4.000 . 4.000 3.952 3.724 4.057 0.057 3 0 "[ . 1 . 2]" 1
1211 2 25 ASN HB2 2 28 ILE MD 4.870 . 4.870 2.580 2.446 2.627 . 0 0 "[ . 1 . 2]" 1
1212 2 25 ASN HB2 2 28 ILE HG12 5.300 . 5.300 5.310 5.169 5.367 0.067 16 0 "[ . 1 . 2]" 1
1213 2 25 ASN HB3 2 28 ILE H 5.490 . 5.490 3.225 3.039 3.445 . 0 0 "[ . 1 . 2]" 1
1214 2 25 ASN HB3 2 28 ILE HB 4.250 . 4.250 2.282 2.051 2.428 . 0 0 "[ . 1 . 2]" 1
1215 2 25 ASN HB3 2 28 ILE MD 3.830 . 3.830 1.974 1.857 2.112 . 0 0 "[ . 1 . 2]" 1
1216 2 25 ASN HB3 2 28 ILE HG12 4.460 . 4.460 4.039 3.828 4.235 . 0 0 "[ . 1 . 2]" 1
1217 2 25 ASN HB3 2 28 ILE HG13 4.190 . 4.190 2.732 2.382 3.138 . 0 0 "[ . 1 . 2]" 1
1218 2 25 ASN HB3 2 28 ILE MG 4.520 . 4.520 3.657 3.513 3.769 . 0 0 "[ . 1 . 2]" 1
1219 2 25 ASN HB3 2 29 LEU H 5.180 . 5.180 3.857 3.653 4.076 . 0 0 "[ . 1 . 2]" 1
1220 2 25 ASN HD21 2 27 GLN H 5.500 . 5.500 2.385 1.959 2.790 . 0 0 "[ . 1 . 2]" 1
1221 2 25 ASN HD21 2 27 GLN QG 4.720 . 4.720 3.984 2.667 4.773 0.053 18 0 "[ . 1 . 2]" 1
1222 2 25 ASN HD21 2 28 ILE MD 5.030 . 5.030 3.522 2.842 4.353 . 0 0 "[ . 1 . 2]" 1
1223 2 25 ASN HD21 2 28 ILE HG12 5.500 . 5.500 4.439 3.571 5.527 0.027 4 0 "[ . 1 . 2]" 1
1224 2 25 ASN HD21 2 29 LEU H 5.500 . 5.500 4.172 3.413 5.039 . 0 0 "[ . 1 . 2]" 1
1225 2 25 ASN HD22 2 27 GLN H 5.250 . 5.250 3.035 2.719 3.291 . 0 0 "[ . 1 . 2]" 1
1226 2 25 ASN HD22 2 28 ILE MD 4.350 . 4.350 3.891 3.441 4.396 0.046 4 0 "[ . 1 . 2]" 1
1227 2 25 ASN HD22 2 28 ILE HG13 4.840 . 4.840 3.181 2.606 3.881 . 0 0 "[ . 1 . 2]" 1
1228 2 26 GLU H 2 26 GLU HG2 5.420 . 5.420 3.527 3.011 4.413 . 0 0 "[ . 1 . 2]" 1
1229 2 26 GLU H 2 26 GLU HG3 4.860 . 4.860 2.509 1.979 4.376 . 0 0 "[ . 1 . 2]" 1
1230 2 26 GLU H 2 27 GLN H 5.020 . 5.020 2.857 2.711 2.972 . 0 0 "[ . 1 . 2]" 1
1231 2 26 GLU H 2 27 GLN HA 5.500 . 5.500 5.413 5.165 5.521 0.021 17 0 "[ . 1 . 2]" 1
1232 2 26 GLU HA 2 67 ASN HD21 5.370 . 5.370 4.995 3.920 5.431 0.061 17 0 "[ . 1 . 2]" 1
1233 2 26 GLU HA 2 70 ILE MD 3.750 . 3.750 2.671 2.082 3.243 . 0 0 "[ . 1 . 2]" 1
1234 2 26 GLU HB2 2 27 GLN HE21 5.500 . 5.500 3.875 2.115 5.603 0.103 15 0 "[ . 1 . 2]" 1
1235 2 26 GLU HB3 2 27 GLN HE21 5.500 . 5.500 4.168 2.711 5.582 0.082 6 0 "[ . 1 . 2]" 1
1236 2 26 GLU HG2 2 67 ASN HD21 5.230 . 5.230 3.326 2.066 4.289 . 0 0 "[ . 1 . 2]" 1
1237 2 26 GLU HG2 2 67 ASN HD22 5.500 . 5.500 4.170 1.749 5.308 . 0 0 "[ . 1 . 2]" 1
1238 2 26 GLU HG2 2 70 ILE MD 3.810 . 3.810 3.230 2.446 3.812 0.002 9 0 "[ . 1 . 2]" 1
1239 2 26 GLU HG3 2 67 ASN HD22 5.500 . 5.500 4.909 2.920 5.542 0.042 10 0 "[ . 1 . 2]" 1
1240 2 27 GLN H 2 27 GLN HB2 3.070 . 3.070 2.438 2.086 2.671 . 0 0 "[ . 1 . 2]" 1
1241 2 27 GLN H 2 28 ILE H 3.630 . 3.630 2.628 2.415 2.971 . 0 0 "[ . 1 . 2]" 1
1242 2 27 GLN HA 2 27 GLN HE21 4.720 . 4.720 2.171 1.481 2.937 . 0 0 "[ . 1 . 2]" 1
1243 2 27 GLN HA 2 27 GLN HE22 4.680 . 4.680 3.014 2.539 3.532 . 0 0 "[ . 1 . 2]" 1
1244 2 27 GLN HA 2 27 GLN QG 2.990 . 2.990 2.817 2.418 3.117 0.127 14 0 "[ . 1 . 2]" 1
1245 2 27 GLN HA 2 30 GLN H 4.740 . 4.740 3.599 3.258 4.016 . 0 0 "[ . 1 . 2]" 1
1246 2 27 GLN HB2 2 27 GLN QG 2.480 . 2.480 2.226 2.118 2.354 . 0 0 "[ . 1 . 2]" 1
1247 2 27 GLN HB2 2 28 ILE H 4.440 . 4.440 2.721 2.221 3.460 . 0 0 "[ . 1 . 2]" 1
1248 2 27 GLN HE22 2 28 ILE H 5.330 . 5.330 5.527 5.424 5.617 0.287 14 0 "[ . 1 . 2]" 1
1249 2 27 GLN HE22 2 30 GLN H 5.500 . 5.500 5.495 4.985 5.639 0.139 19 0 "[ . 1 . 2]" 1
1250 2 27 GLN QG 2 28 ILE H 5.290 . 5.290 3.890 2.833 4.643 . 0 0 "[ . 1 . 2]" 1
1251 2 28 ILE H 2 28 ILE HB 3.710 . 3.710 2.650 2.514 2.822 . 0 0 "[ . 1 . 2]" 1
1252 2 28 ILE H 2 28 ILE MD 3.740 . 3.740 3.676 3.483 3.774 0.034 8 0 "[ . 1 . 2]" 1
1253 2 28 ILE H 2 28 ILE HG12 4.180 . 4.180 3.473 3.184 3.709 . 0 0 "[ . 1 . 2]" 1
1254 2 28 ILE H 2 28 ILE HG13 3.870 . 3.870 2.221 1.941 2.487 . 0 0 "[ . 1 . 2]" 1
1255 2 28 ILE H 2 28 ILE MG 4.000 . 4.000 3.852 3.790 3.929 . 0 0 "[ . 1 . 2]" 1
1256 2 28 ILE H 2 29 LEU H 3.570 . 3.570 2.842 2.543 3.176 . 0 0 "[ . 1 . 2]" 1
1257 2 28 ILE H 2 29 LEU HB3 5.500 . 5.500 4.870 4.522 5.371 . 0 0 "[ . 1 . 2]" 1
1258 2 28 ILE HA 2 28 ILE MD 3.850 . 3.850 3.829 3.799 3.870 0.020 13 0 "[ . 1 . 2]" 1
1259 2 28 ILE HA 2 28 ILE HG12 4.210 . 4.210 2.515 2.460 2.587 . 0 0 "[ . 1 . 2]" 1
1260 2 28 ILE HA 2 29 LEU HA 4.910 . 4.910 4.699 4.590 4.780 . 0 0 "[ . 1 . 2]" 1
1261 2 28 ILE HA 2 32 ALA H 5.320 . 5.320 4.077 3.861 4.270 . 0 0 "[ . 1 . 2]" 1
1262 2 28 ILE HB 2 29 LEU H 4.020 . 4.020 2.423 2.202 2.613 . 0 0 "[ . 1 . 2]" 1
1263 2 28 ILE MG 2 29 LEU H 3.940 . 3.940 3.197 2.992 3.369 . 0 0 "[ . 1 . 2]" 1
1264 2 28 ILE MG 2 29 LEU HA 5.500 . 5.500 3.235 3.090 3.472 . 0 0 "[ . 1 . 2]" 1
1265 2 28 ILE MG 2 32 ALA H 4.570 . 4.570 4.090 3.858 4.366 . 0 0 "[ . 1 . 2]" 1
1266 2 29 LEU H 2 29 LEU HB2 3.680 . 3.680 2.662 2.553 2.787 . 0 0 "[ . 1 . 2]" 1
1267 2 29 LEU H 2 29 LEU HB3 3.980 . 3.980 2.375 2.301 2.453 . 0 0 "[ . 1 . 2]" 1
1268 2 29 LEU H 2 29 LEU MD1 4.290 . 4.290 4.132 4.050 4.208 . 0 0 "[ . 1 . 2]" 1
1269 2 29 LEU H 2 29 LEU HG 4.410 . 4.410 4.414 4.341 4.433 0.023 16 0 "[ . 1 . 2]" 1
1270 2 29 LEU H 2 30 GLN H 4.420 . 4.420 2.827 2.683 3.065 . 0 0 "[ . 1 . 2]" 1
1271 2 29 LEU HA 2 29 LEU MD1 3.250 . 3.250 2.159 2.083 2.281 . 0 0 "[ . 1 . 2]" 1
1272 2 29 LEU HA 2 29 LEU HG 3.740 . 3.740 3.372 3.261 3.454 . 0 0 "[ . 1 . 2]" 1
1273 2 29 LEU HA 2 32 ALA H 4.610 . 4.610 3.398 3.192 3.731 . 0 0 "[ . 1 . 2]" 1
1274 2 29 LEU HB3 2 30 GLN H 4.320 . 4.320 2.964 2.810 3.384 . 0 0 "[ . 1 . 2]" 1
1275 2 29 LEU HB3 2 30 GLN HA 5.500 . 5.500 4.680 4.585 4.874 . 0 0 "[ . 1 . 2]" 1
1276 2 29 LEU HB3 2 32 ALA MB 5.090 . 5.090 4.870 4.614 5.107 0.017 13 0 "[ . 1 . 2]" 1
1277 2 29 LEU HB3 2 70 ILE MD 4.840 . 4.840 2.696 2.277 3.057 . 0 0 "[ . 1 . 2]" 1
1278 2 29 LEU MD1 2 30 GLN H 5.160 . 5.160 4.345 4.196 4.515 . 0 0 "[ . 1 . 2]" 1
1279 2 29 LEU MD1 2 32 ALA H 5.490 . 5.490 4.394 4.173 4.730 . 0 0 "[ . 1 . 2]" 1
1280 2 29 LEU MD1 2 32 ALA MB 3.220 . 3.220 2.637 2.297 3.012 . 0 0 "[ . 1 . 2]" 1
1281 2 29 LEU MD1 2 70 ILE HG12 4.920 . 4.920 4.260 3.957 4.756 . 0 0 "[ . 1 . 2]" 1
1282 2 29 LEU MD1 2 70 ILE MG 3.240 . 3.240 3.289 3.244 3.366 0.126 13 0 "[ . 1 . 2]" 1
1283 2 29 LEU MD2 2 30 GLN H 5.070 . 5.070 4.566 4.339 4.963 . 0 0 "[ . 1 . 2]" 1
1284 2 29 LEU MD2 2 70 ILE MD 2.970 . 2.970 2.102 1.935 2.283 . 0 0 "[ . 1 . 2]" 1
1285 2 29 LEU MD2 2 70 ILE HG13 5.120 . 5.120 4.688 4.325 4.903 . 0 0 "[ . 1 . 2]" 1
1286 2 29 LEU HG 2 30 GLN H 4.720 . 4.720 3.775 3.439 4.195 . 0 0 "[ . 1 . 2]" 1
1287 2 29 LEU HG 2 70 ILE MD 4.800 . 4.800 2.385 2.013 2.914 . 0 0 "[ . 1 . 2]" 1
1288 2 30 GLN H 2 30 GLN HB3 3.690 . 3.690 3.133 2.207 3.647 . 0 0 "[ . 1 . 2]" 1
1289 2 30 GLN H 2 30 GLN HG2 4.000 . 4.000 3.562 2.118 4.185 0.185 9 0 "[ . 1 . 2]" 1
1290 2 30 GLN H 2 31 GLU H 3.630 . 3.630 2.676 2.432 2.847 . 0 0 "[ . 1 . 2]" 1
1291 2 30 GLN H 2 70 ILE MD 5.430 . 5.430 3.188 2.403 4.111 . 0 0 "[ . 1 . 2]" 1
1292 2 30 GLN HA 2 32 ALA H 5.250 . 5.250 4.442 4.073 4.559 . 0 0 "[ . 1 . 2]" 1
1293 2 30 GLN HA 2 32 ALA MB 4.880 . 4.880 4.818 4.403 4.951 0.071 14 0 "[ . 1 . 2]" 1
1294 2 30 GLN HA 2 33 LEU QB 4.220 . 4.220 2.842 2.289 3.456 . 0 0 "[ . 1 . 2]" 1
1295 2 30 GLN HA 2 70 ILE HA 4.050 . 4.050 3.682 3.062 4.070 0.020 3 0 "[ . 1 . 2]" 1
1296 2 30 GLN HA 2 70 ILE MD 5.030 . 5.030 3.608 2.841 4.463 . 0 0 "[ . 1 . 2]" 1
1297 2 30 GLN HA 2 70 ILE HG13 4.360 . 4.360 3.485 2.549 4.373 0.013 2 0 "[ . 1 . 2]" 1
1298 2 30 GLN HB2 2 70 ILE MD 5.500 . 5.500 4.095 2.321 5.175 . 0 0 "[ . 1 . 2]" 1
1299 2 30 GLN HB3 2 31 GLU H 3.840 . 3.840 3.315 2.371 3.941 0.101 7 0 "[ . 1 . 2]" 1
1300 2 30 GLN HB3 2 70 ILE HA 5.500 . 5.500 5.010 3.115 5.642 0.142 9 0 "[ . 1 . 2]" 1
1301 2 30 GLN HG3 2 70 ILE MD 4.560 . 4.560 3.248 2.153 4.626 0.066 18 0 "[ . 1 . 2]" 1
1302 2 30 GLN HG3 2 70 ILE HG13 4.680 . 4.680 3.304 2.301 4.772 0.092 5 0 "[ . 1 . 2]" 1
1303 2 31 GLU H 2 31 GLU HB2 3.720 . 3.720 2.409 2.034 3.635 . 0 0 "[ . 1 . 2]" 1
1304 2 31 GLU H 2 31 GLU HB3 3.650 . 3.650 3.042 2.606 3.620 . 0 0 "[ . 1 . 2]" 1
1305 2 31 GLU H 2 32 ALA H 3.980 . 3.980 2.541 2.330 2.738 . 0 0 "[ . 1 . 2]" 1
1306 2 31 GLU H 2 32 ALA MB 4.680 . 4.680 4.182 3.949 4.360 . 0 0 "[ . 1 . 2]" 1
1307 2 31 GLU HB3 2 32 ALA H 3.770 . 3.770 3.025 2.401 3.975 0.205 3 0 "[ . 1 . 2]" 1
1308 2 31 GLU HG3 2 32 ALA H 5.500 . 5.500 4.512 3.514 5.192 . 0 0 "[ . 1 . 2]" 1
1309 2 32 ALA H 2 33 LEU H 3.840 . 3.840 2.675 2.506 2.908 . 0 0 "[ . 1 . 2]" 1
1310 2 32 ALA MB 2 33 LEU H 3.220 . 3.220 2.354 2.134 2.539 . 0 0 "[ . 1 . 2]" 1
1311 2 33 LEU H 2 33 LEU QB 3.680 . 3.680 2.090 1.937 2.208 . 0 0 "[ . 1 . 2]" 1
1312 2 33 LEU H 2 33 LEU MD1 4.280 . 4.280 3.842 3.498 4.156 . 0 0 "[ . 1 . 2]" 1
1313 2 33 LEU H 2 33 LEU MD2 4.170 . 4.170 4.077 3.817 4.224 0.054 18 0 "[ . 1 . 2]" 1
1314 2 33 LEU HA 2 33 LEU MD2 3.350 . 3.350 2.337 1.916 3.277 . 0 0 "[ . 1 . 2]" 1
1315 2 33 LEU MD1 2 59 LEU QD 5.500 . 5.500 3.363 2.423 4.231 . 0 0 "[ . 1 . 2]" 1
1316 2 33 LEU MD1 2 73 GLU H 5.180 . 5.180 3.960 3.320 4.826 . 0 0 "[ . 1 . 2]" 1
1317 2 33 LEU MD1 2 74 ALA H 3.750 . 3.750 2.834 2.360 3.389 . 0 0 "[ . 1 . 2]" 1
1318 2 33 LEU MD1 2 74 ALA HA 3.230 . 3.230 2.457 1.905 3.266 0.036 9 0 "[ . 1 . 2]" 1
1319 2 33 LEU MD2 2 34 TRP H 4.810 . 4.810 4.139 3.370 4.564 . 0 0 "[ . 1 . 2]" 1
1320 2 33 LEU MD2 2 34 TRP HA 4.750 . 4.750 4.161 3.052 4.921 0.171 2 0 "[ . 1 . 2]" 1
1321 2 33 LEU MD2 2 73 GLU HA 4.620 . 4.620 4.230 3.847 4.695 0.075 16 0 "[ . 1 . 2]" 1
1322 2 33 LEU MD2 2 73 GLU HB2 3.510 . 3.510 3.306 2.190 3.621 0.111 9 0 "[ . 1 . 2]" 1
1323 2 33 LEU MD2 2 73 GLU HB3 5.500 . 5.500 3.073 2.395 3.828 . 0 0 "[ . 1 . 2]" 1
1324 2 33 LEU MD2 2 74 ALA H 4.100 . 4.100 3.548 3.157 3.732 . 0 0 "[ . 1 . 2]" 1
1325 2 33 LEU MD2 2 74 ALA HA 3.280 . 3.280 2.007 1.818 2.223 . 0 0 "[ . 1 . 2]" 1
1326 2 33 LEU MD2 2 74 ALA MB 3.260 . 3.260 3.184 2.922 3.355 0.095 3 0 "[ . 1 . 2]" 1
1327 2 33 LEU HG 2 59 LEU QD 5.500 . 5.500 3.407 2.344 4.154 . 0 0 "[ . 1 . 2]" 1
1328 2 33 LEU HG 2 74 ALA H 5.500 . 5.500 5.266 3.824 5.551 0.051 14 0 "[ . 1 . 2]" 1
1329 2 34 TRP H 2 34 TRP HB2 3.830 . 3.830 2.406 2.158 2.640 . 0 0 "[ . 1 . 2]" 1
1330 2 34 TRP H 2 34 TRP HB3 3.870 . 3.870 2.884 2.426 3.623 . 0 0 "[ . 1 . 2]" 1
1331 2 34 TRP HB3 2 35 ALA H 4.420 . 4.420 2.883 2.369 3.645 . 0 0 "[ . 1 . 2]" 1
1332 2 34 TRP HB3 2 35 ALA HA 4.470 . 4.470 4.285 4.049 4.472 0.002 12 0 "[ . 1 . 2]" 1
1333 2 34 TRP HB3 2 36 LEU H 5.470 . 5.470 5.112 4.820 5.486 0.016 8 0 "[ . 1 . 2]" 1
1334 2 35 ALA H 2 35 ALA MB 3.080 . 3.080 2.249 2.218 2.281 . 0 0 "[ . 1 . 2]" 1
1335 2 35 ALA H 2 36 LEU H 3.940 . 3.940 2.611 2.337 2.766 . 0 0 "[ . 1 . 2]" 1
1336 2 35 ALA H 2 37 SER H 5.020 . 5.020 4.139 3.952 4.304 . 0 0 "[ . 1 . 2]" 1
1337 2 35 ALA MB 2 36 LEU H 3.720 . 3.720 2.584 2.345 2.738 . 0 0 "[ . 1 . 2]" 1
1338 2 36 LEU H 2 36 LEU MD1 4.080 . 4.080 4.112 4.043 4.139 0.059 17 0 "[ . 1 . 2]" 1
1339 2 36 LEU H 2 37 SER H 4.010 . 4.010 2.569 2.466 2.701 . 0 0 "[ . 1 . 2]" 1
1340 2 36 LEU H 2 37 SER HB3 4.800 . 4.800 4.845 4.817 4.870 0.070 15 0 "[ . 1 . 2]" 1
1341 2 36 LEU HA 2 36 LEU MD2 3.390 . 3.390 3.135 2.136 3.415 0.025 15 0 "[ . 1 . 2]" 1
1342 2 36 LEU HA 2 36 LEU HG 3.720 . 3.720 2.724 2.525 3.755 0.035 11 0 "[ . 1 . 2]" 1
1343 2 36 LEU HA 2 39 ILE H 4.880 . 4.880 3.548 3.343 3.884 . 0 0 "[ . 1 . 2]" 1
1344 2 36 LEU HA 2 39 ILE MD 3.730 . 3.730 2.467 2.274 2.654 . 0 0 "[ . 1 . 2]" 1
1345 2 36 LEU QB 2 39 ILE QG 4.520 . 4.520 3.986 3.854 4.204 . 0 0 "[ . 1 . 2]" 1
1346 2 36 LEU MD1 2 40 ALA MB 5.500 . 5.500 4.598 2.769 5.140 . 0 0 "[ . 1 . 2]" 1
1347 2 36 LEU MD1 2 50 VAL HA 5.500 . 5.500 3.771 2.620 4.848 . 0 0 "[ . 1 . 2]" 1
1348 2 36 LEU MD2 2 39 ILE QG 4.180 . 4.180 3.597 2.424 4.156 . 0 0 "[ . 1 . 2]" 1
1349 2 36 LEU MD2 2 50 VAL MG2 3.190 . 3.190 2.417 1.966 3.123 . 0 0 "[ . 1 . 2]" 1
1350 2 36 LEU HG 2 39 ILE MD 4.130 . 4.130 3.289 2.675 4.240 0.110 9 0 "[ . 1 . 2]" 1
1351 2 37 SER H 2 37 SER HB3 3.320 . 3.320 2.456 2.306 2.678 . 0 0 "[ . 1 . 2]" 1
1352 2 37 SER H 2 38 ASN H 4.080 . 4.080 2.586 2.412 2.856 . 0 0 "[ . 1 . 2]" 1
1353 2 37 SER HA 2 40 ALA MB 3.910 . 3.910 2.701 2.412 3.170 . 0 0 "[ . 1 . 2]" 1
1354 2 37 SER HA 2 77 ALA MB 3.120 . 3.120 2.977 2.494 3.176 0.056 1 0 "[ . 1 . 2]" 1
1355 2 37 SER HB2 2 38 ASN H 4.230 . 4.230 3.781 3.472 4.048 . 0 0 "[ . 1 . 2]" 1
1356 2 37 SER HB3 2 38 ASN H 3.790 . 3.790 3.721 2.474 3.885 0.095 13 0 "[ . 1 . 2]" 1
1357 2 37 SER HB3 2 77 ALA H 5.500 . 5.500 4.239 3.615 5.481 . 0 0 "[ . 1 . 2]" 1
1358 2 37 SER HB3 2 77 ALA MB 3.870 . 3.870 2.530 2.085 3.870 0.000 8 0 "[ . 1 . 2]" 1
1359 2 38 ASN H 2 38 ASN QB 3.870 . 3.870 2.434 2.304 2.726 . 0 0 "[ . 1 . 2]" 1
1360 2 38 ASN H 2 39 ILE MG 5.500 . 5.500 4.501 4.302 4.702 . 0 0 "[ . 1 . 2]" 1
1361 2 38 ASN HA 2 40 ALA H 5.170 . 5.170 4.255 4.019 4.631 . 0 0 "[ . 1 . 2]" 1
1362 2 38 ASN QB 2 39 ILE H 3.950 . 3.950 2.830 2.525 3.602 . 0 0 "[ . 1 . 2]" 1
1363 2 39 ILE H 2 39 ILE HB 3.680 . 3.680 3.686 3.668 3.707 0.027 15 0 "[ . 1 . 2]" 1
1364 2 39 ILE H 2 39 ILE MD 3.890 . 3.890 3.765 3.724 3.802 . 0 0 "[ . 1 . 2]" 1
1365 2 39 ILE H 2 39 ILE MG 4.080 . 4.080 2.449 2.282 2.682 . 0 0 "[ . 1 . 2]" 1
1366 2 39 ILE H 2 40 ALA H 3.580 . 3.580 2.504 2.294 2.705 . 0 0 "[ . 1 . 2]" 1
1367 2 39 ILE H 2 40 ALA MB 4.810 . 4.810 4.188 3.995 4.365 . 0 0 "[ . 1 . 2]" 1
1368 2 39 ILE H 2 41 SER H 5.500 . 5.500 3.969 3.797 4.146 . 0 0 "[ . 1 . 2]" 1
1369 2 39 ILE HB 2 40 ALA H 4.500 . 4.500 3.808 3.669 3.960 . 0 0 "[ . 1 . 2]" 1
1370 2 39 ILE HB 2 41 SER H 5.100 . 5.100 5.178 5.114 5.230 0.130 3 0 "[ . 1 . 2]" 1
1371 2 39 ILE HB 2 49 ALA MB 5.500 . 5.500 4.023 3.608 4.908 . 0 0 "[ . 1 . 2]" 1
1372 2 39 ILE MD 2 39 ILE MG 2.680 . 2.680 1.951 1.821 1.980 . 0 0 "[ . 1 . 2]" 1
1373 2 39 ILE MD 2 40 ALA H 4.490 . 4.490 4.061 3.934 4.227 . 0 0 "[ . 1 . 2]" 1
1374 2 39 ILE MD 2 40 ALA HA 5.500 . 5.500 4.764 4.610 4.968 . 0 0 "[ . 1 . 2]" 1
1375 2 39 ILE QG 2 39 ILE MG 2.890 . 2.890 2.351 2.326 2.375 . 0 0 "[ . 1 . 2]" 1
1376 2 39 ILE QG 2 41 SER H 4.520 . 4.520 4.405 4.320 4.521 0.001 18 0 "[ . 1 . 2]" 1
1377 2 39 ILE QG 2 49 ALA MB 4.210 . 4.210 3.504 2.911 4.222 0.012 10 0 "[ . 1 . 2]" 1
1378 2 39 ILE MG 2 40 ALA H 4.010 . 4.010 4.047 4.000 4.092 0.082 14 0 "[ . 1 . 2]" 1
1379 2 39 ILE MG 2 41 SER H 5.400 . 5.400 5.199 5.076 5.331 . 0 0 "[ . 1 . 2]" 1
1380 2 40 ALA H 2 40 ALA MB 3.140 . 3.140 2.237 2.207 2.285 . 0 0 "[ . 1 . 2]" 1
1381 2 40 ALA H 2 41 SER H 3.770 . 3.770 2.522 2.386 2.660 . 0 0 "[ . 1 . 2]" 1
1382 2 40 ALA H 2 42 GLY H 5.500 . 5.500 4.209 3.908 4.412 . 0 0 "[ . 1 . 2]" 1
1383 2 40 ALA H 2 50 VAL MG2 4.610 . 4.610 3.939 3.346 4.401 . 0 0 "[ . 1 . 2]" 1
1384 2 40 ALA HA 2 50 VAL MG2 4.620 . 4.620 3.087 2.213 3.627 . 0 0 "[ . 1 . 2]" 1
1385 2 40 ALA MB 2 41 SER H 4.120 . 4.120 2.941 2.792 3.180 . 0 0 "[ . 1 . 2]" 1
1386 2 40 ALA MB 2 41 SER QB 5.010 . 5.010 3.980 3.637 4.598 . 0 0 "[ . 1 . 2]" 1
1387 2 40 ALA MB 2 42 GLY H 5.110 . 5.110 4.330 4.184 4.750 . 0 0 "[ . 1 . 2]" 1
1388 2 40 ALA MB 2 50 VAL MG2 3.430 . 3.430 1.939 1.828 2.030 . 0 0 "[ . 1 . 2]" 1
1389 2 40 ALA MB 2 80 LYS HB3 5.500 . 5.500 2.496 1.858 2.920 . 0 0 "[ . 1 . 2]" 1
1390 2 40 ALA MB 2 81 LEU MD2 3.290 . 3.290 2.728 2.068 3.338 0.048 14 0 "[ . 1 . 2]" 1
1391 2 41 SER H 2 41 SER QB 3.470 . 3.470 2.677 2.474 2.883 . 0 0 "[ . 1 . 2]" 1
1392 2 41 SER H 2 42 GLY H 3.720 . 3.720 2.495 2.200 2.664 . 0 0 "[ . 1 . 2]" 1
1393 2 41 SER H 2 50 VAL MG2 5.350 . 5.350 5.302 4.800 5.431 0.081 17 0 "[ . 1 . 2]" 1
1394 2 41 SER H 2 80 LYS HB3 5.500 . 5.500 3.761 3.127 4.461 . 0 0 "[ . 1 . 2]" 1
1395 2 41 SER H 2 80 LYS HD2 5.500 . 5.500 3.982 3.336 4.591 . 0 0 "[ . 1 . 2]" 1
1396 2 41 SER H 2 80 LYS HD3 5.500 . 5.500 5.528 5.094 5.623 0.123 20 0 "[ . 1 . 2]" 1
1397 2 41 SER HA 2 80 LYS HD2 4.370 . 4.370 3.101 2.059 4.129 . 0 0 "[ . 1 . 2]" 1
1398 2 41 SER HA 2 80 LYS HG3 4.770 . 4.770 4.197 2.780 4.792 0.022 3 0 "[ . 1 . 2]" 1
1399 2 41 SER QB 2 42 GLY H 4.270 . 4.270 3.742 3.372 3.955 . 0 0 "[ . 1 . 2]" 1
1400 2 41 SER QB 2 80 LYS HB3 4.360 . 4.360 3.283 1.964 4.248 . 0 0 "[ . 1 . 2]" 1
1401 2 41 SER QB 2 80 LYS HD2 4.420 . 4.420 1.963 1.754 2.475 . 0 0 "[ . 1 . 2]" 1
1402 2 41 SER QB 2 80 LYS HE2 4.520 . 4.520 4.355 3.985 4.509 . 0 0 "[ . 1 . 2]" 1
1403 2 42 GLY H 2 43 GLY H 4.060 . 4.060 3.865 2.649 4.223 0.163 4 0 "[ . 1 . 2]" 1
1404 2 42 GLY HA3 2 43 GLY H 3.530 . 3.530 2.172 2.073 2.352 . 0 0 "[ . 1 . 2]" 1
1405 2 42 GLY HA3 2 46 GLN H 5.500 . 5.500 5.050 4.250 5.606 0.106 3 0 "[ . 1 . 2]" 1
1406 2 43 GLY H 2 46 GLN H 3.780 . 3.780 3.677 3.127 3.833 0.053 7 0 "[ . 1 . 2]" 1
1407 2 43 GLY H 2 46 GLN QB 4.350 . 4.350 2.565 1.717 3.193 . 0 0 "[ . 1 . 2]" 1
1408 2 43 GLY H 2 47 LYS H 5.100 . 5.100 4.851 3.638 5.183 0.083 1 0 "[ . 1 . 2]" 1
1409 2 43 GLY QA 2 46 GLN H 5.490 . 5.490 3.595 2.637 4.250 . 0 0 "[ . 1 . 2]" 1
1410 2 46 GLN H 2 47 LYS H 4.230 . 4.230 2.519 2.378 2.959 . 0 0 "[ . 1 . 2]" 1
1411 2 46 GLN HA 2 46 GLN HE21 4.890 . 4.890 2.921 1.757 4.240 . 0 0 "[ . 1 . 2]" 1
1412 2 46 GLN HA 2 48 GLN H 3.870 . 3.870 3.779 3.510 3.923 0.053 17 0 "[ . 1 . 2]" 1
1413 2 46 GLN HA 2 49 ALA MB 4.430 . 4.430 4.008 3.659 4.483 0.053 19 0 "[ . 1 . 2]" 1
1414 2 46 GLN QB 2 46 GLN HE22 4.840 . 4.840 4.150 3.352 4.504 . 0 0 "[ . 1 . 2]" 1
1415 2 46 GLN QB 2 47 LYS H 3.930 . 3.930 2.733 2.421 3.080 . 0 0 "[ . 1 . 2]" 1
1416 2 46 GLN QB 2 47 LYS HA 4.070 . 4.070 3.773 3.542 4.008 . 0 0 "[ . 1 . 2]" 1
1417 2 47 LYS H 2 47 LYS HB2 3.690 . 3.690 3.517 2.365 3.643 . 0 0 "[ . 1 . 2]" 1
1418 2 47 LYS H 2 47 LYS HB3 4.040 . 4.040 2.833 2.645 3.559 . 0 0 "[ . 1 . 2]" 1
1419 2 47 LYS H 2 47 LYS HE2 4.350 . 4.350 4.143 3.583 4.485 0.135 9 0 "[ . 1 . 2]" 1
1420 2 47 LYS H 2 47 LYS HE3 4.550 . 4.550 3.915 3.491 4.553 0.003 9 0 "[ . 1 . 2]" 1
1421 2 47 LYS HA 2 47 LYS HG3 3.780 . 3.780 3.715 2.581 3.820 0.040 1 0 "[ . 1 . 2]" 1
1422 2 47 LYS HA 2 49 ALA H 5.460 . 5.460 3.857 3.611 4.471 . 0 0 "[ . 1 . 2]" 1
1423 2 47 LYS HB2 2 47 LYS HE2 4.100 . 4.100 3.000 2.713 4.064 . 0 0 "[ . 1 . 2]" 1
1424 2 47 LYS HB2 2 48 GLN H 3.580 . 3.580 3.679 2.920 3.745 0.165 3 0 "[ . 1 . 2]" 1
1425 2 47 LYS QD 2 48 GLN HE21 5.430 . 5.430 4.073 3.272 4.728 . 0 0 "[ . 1 . 2]" 1
1426 2 47 LYS HE2 2 47 LYS HG3 3.530 . 3.530 3.596 2.955 3.642 0.112 18 0 "[ . 1 . 2]" 1
1427 2 47 LYS HE2 2 81 LEU HA 4.220 . 4.220 3.405 2.394 4.236 0.016 19 0 "[ . 1 . 2]" 1
1428 2 47 LYS HE2 2 81 LEU MD1 4.400 . 4.400 3.553 2.536 4.427 0.027 10 0 "[ . 1 . 2]" 1
1429 2 47 LYS HG2 2 48 GLN H 5.020 . 5.020 3.247 2.747 5.109 0.089 9 0 "[ . 1 . 2]" 1
1430 2 47 LYS HG2 2 48 GLN HE21 5.100 . 5.100 3.984 2.759 5.105 0.005 6 0 "[ . 1 . 2]" 1
1431 2 47 LYS HG2 2 48 GLN HE22 5.500 . 5.500 4.926 3.013 5.540 0.040 9 0 "[ . 1 . 2]" 1
1432 2 47 LYS HG3 2 48 GLN HE21 5.500 . 5.500 3.005 2.215 5.530 0.030 9 0 "[ . 1 . 2]" 1
1433 2 48 GLN H 2 48 GLN QB 3.640 . 3.640 2.391 1.767 2.660 . 0 0 "[ . 1 . 2]" 1
1434 2 48 GLN H 2 48 GLN HE22 5.500 . 5.500 4.360 3.605 4.903 . 0 0 "[ . 1 . 2]" 1
1435 2 48 GLN H 2 48 GLN HG2 3.780 . 3.780 2.580 2.007 3.961 0.181 20 0 "[ . 1 . 2]" 1
1436 2 48 GLN H 2 48 GLN HG3 4.050 . 4.050 3.690 3.460 4.159 0.109 20 0 "[ . 1 . 2]" 1
1437 2 48 GLN H 2 49 ALA H 3.670 . 3.670 2.722 2.590 2.876 . 0 0 "[ . 1 . 2]" 1
1438 2 48 GLN QB 2 48 GLN HG3 2.660 . 2.660 2.113 2.062 2.215 . 0 0 "[ . 1 . 2]" 1
1439 2 48 GLN QB 2 49 ALA H 3.570 . 3.570 2.405 2.126 2.906 . 0 0 "[ . 1 . 2]" 1
1440 2 48 GLN HE22 2 51 LYS HG3 5.430 . 5.430 4.005 3.001 5.458 0.028 14 0 "[ . 1 . 2]" 1
1441 2 48 GLN HG3 2 49 ALA H 4.490 . 4.490 4.632 4.529 4.740 0.250 16 0 "[ . 1 . 2]" 1
1442 2 49 ALA H 2 49 ALA MB 2.960 . 2.960 2.257 2.193 2.315 . 0 0 "[ . 1 . 2]" 1
1443 2 49 ALA HA 2 52 GLU H 3.810 . 3.810 3.521 3.378 3.700 . 0 0 "[ . 1 . 2]" 1
1444 2 49 ALA HA 2 52 GLU HB2 3.760 . 3.760 2.747 2.414 3.193 . 0 0 "[ . 1 . 2]" 1
1445 2 50 VAL H 2 50 VAL HB 3.610 . 3.610 2.693 2.497 3.675 0.065 12 0 "[ . 1 . 2]" 1
1446 2 50 VAL H 2 50 VAL MG1 3.990 . 3.990 3.711 2.365 3.803 . 0 0 "[ . 1 . 2]" 1
1447 2 50 VAL H 2 50 VAL MG2 3.520 . 3.520 1.905 1.822 2.134 . 0 0 "[ . 1 . 2]" 1
1448 2 50 VAL H 2 51 LYS HG3 5.500 . 5.500 5.241 4.201 5.566 0.066 12 0 "[ . 1 . 2]" 1
1449 2 50 VAL HA 2 50 VAL MG2 3.480 . 3.480 2.522 2.378 3.212 . 0 0 "[ . 1 . 2]" 1
1450 2 50 VAL HA 2 53 ALA H 4.160 . 4.160 3.511 2.985 3.774 . 0 0 "[ . 1 . 2]" 1
1451 2 50 VAL HA 2 53 ALA MB 3.890 . 3.890 2.578 2.087 2.827 . 0 0 "[ . 1 . 2]" 1
1452 2 50 VAL MG1 2 51 LYS H 4.020 . 4.020 3.718 3.546 4.035 0.015 12 0 "[ . 1 . 2]" 1
1453 2 50 VAL MG2 2 51 LYS H 5.190 . 5.190 3.519 2.615 3.827 . 0 0 "[ . 1 . 2]" 1
1454 2 50 VAL MG2 2 51 LYS HG3 5.500 . 5.500 5.482 4.592 5.602 0.102 19 0 "[ . 1 . 2]" 1
1455 2 50 VAL MG2 2 53 ALA H 5.260 . 5.260 5.209 4.943 5.308 0.048 17 0 "[ . 1 . 2]" 1
1456 2 51 LYS H 2 51 LYS HB2 3.580 . 3.580 2.432 2.347 2.498 . 0 0 "[ . 1 . 2]" 1
1457 2 51 LYS H 2 51 LYS QB 3.760 . 3.760 2.393 2.314 2.452 . 0 0 "[ . 1 . 2]" 1
1458 2 51 LYS H 2 51 LYS QD 3.840 . 3.840 3.602 3.319 3.911 0.071 15 0 "[ . 1 . 2]" 1
1459 2 51 LYS H 2 51 LYS QE 5.300 . 5.300 4.386 4.158 4.832 . 0 0 "[ . 1 . 2]" 1
1460 2 51 LYS H 2 51 LYS HG2 4.420 . 4.420 2.240 2.083 3.230 . 0 0 "[ . 1 . 2]" 1
1461 2 51 LYS H 2 51 LYS HG3 4.090 . 4.090 3.432 2.306 3.688 . 0 0 "[ . 1 . 2]" 1
1462 2 51 LYS H 2 52 GLU H 3.870 . 3.870 2.495 2.338 2.699 . 0 0 "[ . 1 . 2]" 1
1463 2 51 LYS H 2 54 GLY H 4.950 . 4.950 4.609 4.396 4.952 0.002 19 0 "[ . 1 . 2]" 1
1464 2 51 LYS H 2 81 LEU MD1 4.220 . 4.220 3.815 3.364 4.236 0.016 9 0 "[ . 1 . 2]" 1
1465 2 51 LYS HA 2 51 LYS QD 3.620 . 3.620 2.288 2.107 3.716 0.096 15 0 "[ . 1 . 2]" 1
1466 2 51 LYS HA 2 51 LYS QE 4.580 . 4.580 4.091 3.991 4.500 . 0 0 "[ . 1 . 2]" 1
1467 2 51 LYS HA 2 51 LYS HG2 4.050 . 4.050 2.941 2.396 3.118 . 0 0 "[ . 1 . 2]" 1
1468 2 51 LYS HA 2 51 LYS HG3 4.150 . 4.150 3.784 3.217 3.861 . 0 0 "[ . 1 . 2]" 1
1469 2 51 LYS HA 2 53 ALA H 4.750 . 4.750 4.340 4.073 4.547 . 0 0 "[ . 1 . 2]" 1
1470 2 51 LYS HA 2 56 LEU MD2 3.660 . 3.660 2.144 1.944 2.954 . 0 0 "[ . 1 . 2]" 1
1471 2 51 LYS HA 2 56 LEU HG 5.500 . 5.500 4.304 2.811 4.690 . 0 0 "[ . 1 . 2]" 1
1472 2 51 LYS QB 2 51 LYS QD 3.250 . 3.250 2.259 2.017 2.341 . 0 0 "[ . 1 . 2]" 1
1473 2 51 LYS QB 2 51 LYS QE 4.230 . 4.230 3.775 3.523 3.883 . 0 0 "[ . 1 . 2]" 1
1474 2 51 LYS QB 2 52 GLU H 3.820 . 3.820 2.374 2.179 2.677 . 0 0 "[ . 1 . 2]" 1
1475 2 51 LYS HB2 2 53 ALA H 5.500 . 5.500 4.776 4.544 4.952 . 0 0 "[ . 1 . 2]" 1
1476 2 51 LYS HB3 2 54 GLY H 5.410 . 5.410 5.157 4.847 5.346 . 0 0 "[ . 1 . 2]" 1
1477 2 51 LYS QD 2 52 GLU H 5.150 . 5.150 4.797 4.665 4.986 . 0 0 "[ . 1 . 2]" 1
1478 2 51 LYS QD 2 56 LEU MD2 2.770 . 2.770 2.198 1.922 2.534 . 0 0 "[ . 1 . 2]" 1
1479 2 51 LYS QE 2 56 LEU MD1 5.500 . 5.500 4.879 4.477 5.433 . 0 0 "[ . 1 . 2]" 1
1480 2 51 LYS QE 2 56 LEU MD2 3.700 . 3.700 3.380 2.544 3.720 0.020 10 0 "[ . 1 . 2]" 1
1481 2 51 LYS QE 2 81 LEU HB3 4.660 . 4.660 2.973 2.257 3.660 . 0 0 "[ . 1 . 2]" 1
1482 2 51 LYS QE 2 81 LEU MD1 3.190 . 3.190 2.161 1.891 2.518 . 0 0 "[ . 1 . 2]" 1
1483 2 51 LYS QE 2 81 LEU MD2 4.380 . 4.380 3.975 3.461 4.401 0.021 5 0 "[ . 1 . 2]" 1
1484 2 51 LYS HG2 2 81 LEU MD1 4.720 . 4.720 2.907 2.439 3.448 . 0 0 "[ . 1 . 2]" 1
1485 2 51 LYS HG3 2 52 GLU H 4.630 . 4.630 4.628 4.260 4.687 0.057 20 0 "[ . 1 . 2]" 1
1486 2 51 LYS HG3 2 81 LEU MD1 5.500 . 5.500 3.739 2.350 4.344 . 0 0 "[ . 1 . 2]" 1
1487 2 52 GLU H 2 52 GLU HB2 3.300 . 3.300 2.475 2.393 2.568 . 0 0 "[ . 1 . 2]" 1
1488 2 52 GLU H 2 52 GLU HG2 4.640 . 4.640 3.304 2.041 3.605 . 0 0 "[ . 1 . 2]" 1
1489 2 52 GLU H 2 52 GLU HG3 3.780 . 3.780 2.425 2.152 3.531 . 0 0 "[ . 1 . 2]" 1
1490 2 52 GLU H 2 53 ALA H 3.480 . 3.480 2.587 2.532 2.625 . 0 0 "[ . 1 . 2]" 1
1491 2 52 GLU H 2 53 ALA HA 5.170 . 5.170 5.201 5.172 5.224 0.054 17 0 "[ . 1 . 2]" 1
1492 2 52 GLU H 2 53 ALA MB 5.180 . 5.180 4.271 4.201 4.361 . 0 0 "[ . 1 . 2]" 1
1493 2 52 GLU H 2 54 GLY H 5.050 . 5.050 3.902 3.800 4.028 . 0 0 "[ . 1 . 2]" 1
1494 2 52 GLU HB2 2 53 ALA H 4.530 . 4.530 2.717 2.348 3.102 . 0 0 "[ . 1 . 2]" 1
1495 2 52 GLU HB3 2 53 ALA H 4.370 . 4.370 3.705 3.491 3.923 . 0 0 "[ . 1 . 2]" 1
1496 2 52 GLU HB3 2 53 ALA HA 4.450 . 4.450 4.433 4.324 4.483 0.033 16 0 "[ . 1 . 2]" 1
1497 2 52 GLU HG3 2 53 ALA H 4.580 . 4.580 4.374 4.134 4.629 0.049 17 0 "[ . 1 . 2]" 1
1498 2 53 ALA H 2 53 ALA MB 2.970 . 2.970 2.238 2.207 2.292 . 0 0 "[ . 1 . 2]" 1
1499 2 53 ALA H 2 54 GLY H 3.680 . 3.680 2.529 2.399 2.644 . 0 0 "[ . 1 . 2]" 1
1500 2 53 ALA HA 2 54 GLY HA3 5.500 . 5.500 4.588 4.538 4.628 . 0 0 "[ . 1 . 2]" 1
1501 2 53 ALA MB 2 54 GLY H 4.640 . 4.640 2.883 2.603 3.230 . 0 0 "[ . 1 . 2]" 1
1502 2 53 ALA MB 2 55 ALA MB 5.500 . 5.500 2.474 2.242 2.967 . 0 0 "[ . 1 . 2]" 1
1503 2 54 GLY H 2 55 ALA MB 4.260 . 4.260 4.062 3.948 4.260 . 0 0 "[ . 1 . 2]" 1
1504 2 54 GLY H 2 56 LEU H 5.160 . 5.160 4.136 3.875 4.317 . 0 0 "[ . 1 . 2]" 1
1505 2 54 GLY H 2 56 LEU MD1 5.370 . 5.370 5.274 3.294 5.413 0.043 13 0 "[ . 1 . 2]" 1
1506 2 54 GLY HA2 2 55 ALA MB 4.890 . 4.890 4.591 4.490 4.667 . 0 0 "[ . 1 . 2]" 1
1507 2 54 GLY HA3 2 56 LEU H 5.430 . 5.430 4.559 4.413 4.847 . 0 0 "[ . 1 . 2]" 1
1508 2 54 GLY HA3 2 56 LEU MD1 5.070 . 5.070 4.729 3.579 5.083 0.013 19 0 "[ . 1 . 2]" 1
1509 2 55 ALA H 2 55 ALA MB 3.160 . 3.160 2.246 2.170 2.299 . 0 0 "[ . 1 . 2]" 1
1510 2 55 ALA H 2 58 LYS HB3 5.410 . 5.410 5.397 5.190 5.490 0.080 7 0 "[ . 1 . 2]" 1
1511 2 55 ALA HA 2 59 LEU H 5.140 . 5.140 4.304 4.070 4.534 . 0 0 "[ . 1 . 2]" 1
1512 2 55 ALA MB 2 56 LEU H 3.520 . 3.520 2.865 2.541 3.012 . 0 0 "[ . 1 . 2]" 1
1513 2 55 ALA MB 2 57 GLU H 5.500 . 5.500 4.779 4.553 4.923 . 0 0 "[ . 1 . 2]" 1
1514 2 55 ALA MB 2 58 LYS H 5.500 . 5.500 4.226 4.084 4.453 . 0 0 "[ . 1 . 2]" 1
1515 2 55 ALA MB 2 59 LEU H 4.200 . 4.200 4.194 4.036 4.278 0.078 12 0 "[ . 1 . 2]" 1
1516 2 55 ALA MB 2 59 LEU QD 2.920 . 2.920 2.516 2.154 2.781 . 0 0 "[ . 1 . 2]" 1
1517 2 55 ALA MB 2 59 LEU HG 3.410 . 3.410 2.858 2.511 3.252 . 0 0 "[ . 1 . 2]" 1
1518 2 56 LEU H 2 56 LEU HB2 3.530 . 3.530 3.520 2.995 3.557 0.027 12 0 "[ . 1 . 2]" 1
1519 2 56 LEU H 2 56 LEU HB3 3.810 . 3.810 2.756 2.674 3.519 . 0 0 "[ . 1 . 2]" 1
1520 2 56 LEU H 2 56 LEU MD1 4.240 . 4.240 3.546 1.750 3.780 . 0 0 "[ . 1 . 2]" 1
1521 2 56 LEU H 2 56 LEU MD2 3.510 . 3.510 2.281 1.901 3.563 0.053 15 0 "[ . 1 . 2]" 1
1522 2 56 LEU H 2 56 LEU HG 3.530 . 3.530 2.037 1.844 2.287 . 0 0 "[ . 1 . 2]" 1
1523 2 56 LEU H 2 57 GLU H 3.640 . 3.640 2.986 2.725 3.188 . 0 0 "[ . 1 . 2]" 1
1524 2 56 LEU H 2 57 GLU HG3 5.500 . 5.500 4.414 3.696 5.462 . 0 0 "[ . 1 . 2]" 1
1525 2 56 LEU H 2 58 LYS H 4.990 . 4.990 4.023 3.910 4.116 . 0 0 "[ . 1 . 2]" 1
1526 2 56 LEU H 2 59 LEU H 5.010 . 5.010 4.759 4.625 4.880 . 0 0 "[ . 1 . 2]" 1
1527 2 56 LEU HA 2 56 LEU MD2 3.430 . 3.430 3.575 3.508 3.706 0.276 3 0 "[ . 1 . 2]" 1
1528 2 56 LEU HA 2 58 LYS H 4.950 . 4.950 4.041 3.877 4.173 . 0 0 "[ . 1 . 2]" 1
1529 2 56 LEU HA 2 59 LEU H 4.440 . 4.440 3.654 3.270 3.823 . 0 0 "[ . 1 . 2]" 1
1530 2 56 LEU HA 2 59 LEU HG 3.210 . 3.210 2.953 2.484 3.241 0.031 2 0 "[ . 1 . 2]" 1
1531 2 56 LEU HB2 2 57 GLU H 4.020 . 4.020 3.195 2.074 3.599 . 0 0 "[ . 1 . 2]" 1
1532 2 56 LEU HB3 2 56 LEU MD1 2.920 . 2.920 2.946 2.850 3.045 0.125 3 0 "[ . 1 . 2]" 1
1533 2 56 LEU HB3 2 57 GLU H 4.240 . 4.240 3.931 3.523 4.109 . 0 0 "[ . 1 . 2]" 1
1534 2 56 LEU MD1 2 57 GLU H 4.330 . 4.330 2.373 2.168 2.637 . 0 0 "[ . 1 . 2]" 1
1535 2 56 LEU MD1 2 57 GLU HB2 3.810 . 3.810 3.878 3.839 3.944 0.134 3 0 "[ . 1 . 2]" 1
1536 2 56 LEU MD2 2 57 GLU H 4.160 . 4.160 3.726 3.496 4.188 0.028 15 0 "[ . 1 . 2]" 1
1537 2 56 LEU MD2 2 78 LEU QD 5.030 . 5.030 4.860 4.089 5.082 0.052 19 0 "[ . 1 . 2]" 1
1538 2 56 LEU HG 2 57 GLU H 4.620 . 4.620 2.126 1.756 3.963 . 0 0 "[ . 1 . 2]" 1
1539 2 57 GLU H 2 57 GLU HB2 3.350 . 3.350 3.231 2.269 3.444 0.094 7 0 "[ . 1 . 2]" 1
1540 2 57 GLU H 2 57 GLU HB3 3.550 . 3.550 2.640 2.328 3.513 . 0 0 "[ . 1 . 2]" 1
1541 2 57 GLU H 2 57 GLU HG2 3.460 . 3.460 2.631 1.727 3.056 . 0 0 "[ . 1 . 2]" 1
1542 2 57 GLU H 2 57 GLU HG3 3.440 . 3.440 2.187 1.752 3.162 . 0 0 "[ . 1 . 2]" 1
1543 2 57 GLU H 2 58 LYS H 3.640 . 3.640 2.473 2.247 2.605 . 0 0 "[ . 1 . 2]" 1
1544 2 57 GLU H 2 59 LEU H 4.550 . 4.550 3.974 3.757 4.078 . 0 0 "[ . 1 . 2]" 1
1545 2 57 GLU HA 2 57 GLU HB3 2.580 . 2.580 2.421 2.363 2.467 . 0 0 "[ . 1 . 2]" 1
1546 2 57 GLU HB2 2 57 GLU HG3 2.810 . 2.810 2.713 2.145 2.899 0.089 8 0 "[ . 1 . 2]" 1
1547 2 57 GLU HB2 2 58 LYS H 4.040 . 4.040 3.678 2.360 4.054 0.014 12 0 "[ . 1 . 2]" 1
1548 2 57 GLU HB3 2 58 LYS H 4.140 . 4.140 3.988 3.553 4.148 0.008 5 0 "[ . 1 . 2]" 1
1549 2 57 GLU HG2 2 58 LYS H 3.880 . 3.880 3.939 3.011 4.119 0.239 3 0 "[ . 1 . 2]" 1
1550 2 57 GLU HG3 2 58 LYS H 4.220 . 4.220 2.694 2.252 4.421 0.201 15 0 "[ . 1 . 2]" 1
1551 2 58 LYS H 2 58 LYS HB2 4.130 . 4.130 2.662 2.471 2.816 . 0 0 "[ . 1 . 2]" 1
1552 2 58 LYS H 2 58 LYS HB3 4.040 . 4.040 2.458 2.338 2.584 . 0 0 "[ . 1 . 2]" 1
1553 2 58 LYS H 2 58 LYS HD3 5.310 . 5.310 4.555 4.335 4.736 . 0 0 "[ . 1 . 2]" 1
1554 2 58 LYS H 2 59 LEU H 3.750 . 3.750 2.104 1.985 2.216 . 0 0 "[ . 1 . 2]" 1
1555 2 58 LYS H 2 59 LEU QB 5.330 . 5.330 4.057 4.015 4.105 . 0 0 "[ . 1 . 2]" 1
1556 2 58 LYS H 2 59 LEU QD 4.470 . 4.470 4.049 3.891 4.181 . 0 0 "[ . 1 . 2]" 1
1557 2 58 LYS H 2 61 GLN H 5.500 . 5.500 4.590 4.429 4.743 . 0 0 "[ . 1 . 2]" 1
1558 2 58 LYS HA 2 58 LYS HD2 4.370 . 4.370 3.447 2.100 3.785 . 0 0 "[ . 1 . 2]" 1
1559 2 58 LYS HA 2 58 LYS QD 3.430 . 3.430 2.022 1.902 2.150 . 0 0 "[ . 1 . 2]" 1
1560 2 58 LYS HA 2 61 GLN H 3.950 . 3.950 3.551 3.343 3.795 . 0 0 "[ . 1 . 2]" 1
1561 2 58 LYS HA 2 61 GLN HG3 3.410 . 3.410 3.520 3.482 3.560 0.150 13 0 "[ . 1 . 2]" 1
1562 2 58 LYS HB2 2 58 LYS QD 3.730 . 3.730 2.721 2.263 2.912 . 0 0 "[ . 1 . 2]" 1
1563 2 58 LYS HB2 2 58 LYS QG 2.400 . 2.400 2.324 2.288 2.341 . 0 0 "[ . 1 . 2]" 1
1564 2 58 LYS HB2 2 59 LEU QD 4.390 . 4.390 4.371 4.338 4.403 0.013 16 0 "[ . 1 . 2]" 1
1565 2 58 LYS HB3 2 59 LEU H 4.330 . 4.330 2.601 2.481 2.691 . 0 0 "[ . 1 . 2]" 1
1566 2 58 LYS HB3 2 59 LEU QD 5.380 . 5.380 2.955 2.901 3.019 . 0 0 "[ . 1 . 2]" 1
1567 2 58 LYS QD 2 58 LYS HE3 2.670 . 2.670 2.229 2.149 2.482 . 0 0 "[ . 1 . 2]" 1
1568 2 58 LYS QD 2 59 LEU H 4.640 . 4.640 4.706 4.658 4.742 0.102 17 0 "[ . 1 . 2]" 1
1569 2 58 LYS QD 2 61 GLN QB 5.500 . 5.500 3.571 3.227 3.979 . 0 0 "[ . 1 . 2]" 1
1570 2 58 LYS HE2 2 58 LYS QG 3.780 . 3.780 2.280 2.090 3.383 . 0 0 "[ . 1 . 2]" 1
1571 2 58 LYS QG 2 59 LEU H 4.780 . 4.780 3.760 3.579 4.016 . 0 0 "[ . 1 . 2]" 1
1572 2 59 LEU H 2 59 LEU QD 3.990 . 3.990 2.863 2.785 2.950 . 0 0 "[ . 1 . 2]" 1
1573 2 59 LEU H 2 59 LEU HG 3.770 . 3.770 2.302 2.186 2.483 . 0 0 "[ . 1 . 2]" 1
1574 2 59 LEU H 2 60 GLU H 3.510 . 3.510 2.523 2.380 2.672 . 0 0 "[ . 1 . 2]" 1
1575 2 59 LEU H 2 60 GLU HB2 5.090 . 5.090 4.628 4.319 5.031 . 0 0 "[ . 1 . 2]" 1
1576 2 59 LEU H 2 60 GLU HG2 4.470 . 4.470 4.514 4.256 4.635 0.165 2 0 "[ . 1 . 2]" 1
1577 2 59 LEU H 2 61 GLN H 5.500 . 5.500 3.771 3.696 3.887 . 0 0 "[ . 1 . 2]" 1
1578 2 59 LEU H 2 62 LEU H 5.360 . 5.360 4.454 4.363 4.569 . 0 0 "[ . 1 . 2]" 1
1579 2 59 LEU H 2 63 GLN HE22 5.500 . 5.500 5.581 5.448 5.660 0.160 15 0 "[ . 1 . 2]" 1
1580 2 59 LEU HA 2 59 LEU QD 3.220 . 3.220 2.059 2.022 2.107 . 0 0 "[ . 1 . 2]" 1
1581 2 59 LEU HA 2 61 GLN H 4.030 . 4.030 4.091 4.050 4.124 0.094 7 0 "[ . 1 . 2]" 1
1582 2 59 LEU HA 2 62 LEU H 4.540 . 4.540 3.249 3.020 3.393 . 0 0 "[ . 1 . 2]" 1
1583 2 59 LEU HA 2 62 LEU HB2 3.670 . 3.670 2.488 2.270 2.744 . 0 0 "[ . 1 . 2]" 1
1584 2 59 LEU HA 2 63 GLN HE21 4.390 . 4.390 3.751 3.526 3.942 . 0 0 "[ . 1 . 2]" 1
1585 2 59 LEU HA 2 63 GLN HE22 5.500 . 5.500 4.848 4.615 5.124 . 0 0 "[ . 1 . 2]" 1
1586 2 59 LEU QB 2 60 GLU H 3.510 . 3.510 2.308 2.180 2.467 . 0 0 "[ . 1 . 2]" 1
1587 2 59 LEU QD 2 62 LEU HB2 3.680 . 3.680 3.590 3.295 3.678 . 0 0 "[ . 1 . 2]" 1
1588 2 59 LEU QD 2 62 LEU MD2 5.250 . 5.250 2.858 2.449 3.267 . 0 0 "[ . 1 . 2]" 1
1589 2 59 LEU QD 2 74 ALA HA 2.730 . 2.730 2.650 2.352 2.777 0.047 18 0 "[ . 1 . 2]" 1
1590 2 59 LEU HG 2 60 GLU H 4.840 . 4.840 4.128 3.995 4.362 . 0 0 "[ . 1 . 2]" 1
1591 2 59 LEU HG 2 77 ALA MB 4.040 . 4.040 4.102 4.046 4.156 0.116 19 0 "[ . 1 . 2]" 1
1592 2 60 GLU H 2 60 GLU HB2 3.350 . 3.350 2.506 2.258 2.791 . 0 0 "[ . 1 . 2]" 1
1593 2 60 GLU H 2 60 GLU HG2 3.290 . 3.290 2.333 2.140 2.546 . 0 0 "[ . 1 . 2]" 1
1594 2 60 GLU H 2 60 GLU HG3 3.890 . 3.890 2.681 1.851 3.506 . 0 0 "[ . 1 . 2]" 1
1595 2 60 GLU H 2 61 GLN H 3.650 . 3.650 2.561 2.414 2.633 . 0 0 "[ . 1 . 2]" 1
1596 2 60 GLU H 2 62 LEU H 4.960 . 4.960 3.916 3.807 4.045 . 0 0 "[ . 1 . 2]" 1
1597 2 60 GLU H 2 63 GLN H 5.410 . 5.410 4.970 4.827 5.070 . 0 0 "[ . 1 . 2]" 1
1598 2 60 GLU H 2 63 GLN HE22 5.440 . 5.440 3.641 3.516 3.762 . 0 0 "[ . 1 . 2]" 1
1599 2 60 GLU HB2 2 61 GLN H 3.820 . 3.820 2.662 2.541 2.976 . 0 0 "[ . 1 . 2]" 1
1600 2 60 GLU HB3 2 62 LEU H 5.350 . 5.350 5.415 5.361 5.460 0.110 17 0 "[ . 1 . 2]" 1
1601 2 60 GLU HB3 2 63 GLN HE22 5.500 . 5.500 4.085 3.797 4.429 . 0 0 "[ . 1 . 2]" 1
1602 2 60 GLU HG2 2 63 GLN HE22 4.910 . 4.910 2.930 2.508 3.270 . 0 0 "[ . 1 . 2]" 1
1603 2 60 GLU HG2 2 78 LEU QD 3.720 . 3.720 2.039 1.780 2.437 . 0 0 "[ . 1 . 2]" 1
1604 2 60 GLU HG3 2 61 GLN H 4.730 . 4.730 4.326 3.654 4.818 0.088 11 0 "[ . 1 . 2]" 1
1605 2 60 GLU HG3 2 63 GLN HE22 4.370 . 4.370 4.390 4.113 4.493 0.123 14 0 "[ . 1 . 2]" 1
1606 2 60 GLU HG3 2 78 LEU QD 3.680 . 3.680 3.075 2.735 3.557 . 0 0 "[ . 1 . 2]" 1
1607 2 60 GLU HG3 2 78 LEU HG 5.500 . 5.500 5.303 3.836 5.577 0.077 11 0 "[ . 1 . 2]" 1
1608 2 61 GLN H 2 61 GLN QB 3.140 . 3.140 1.965 1.946 1.985 . 0 0 "[ . 1 . 2]" 1
1609 2 61 GLN H 2 61 GLN HG2 3.980 . 3.980 4.043 3.921 4.099 0.119 11 0 "[ . 1 . 2]" 1
1610 2 61 GLN H 2 61 GLN HG3 3.470 . 3.470 3.417 3.313 3.498 0.028 3 0 "[ . 1 . 2]" 1
1611 2 61 GLN H 2 62 LEU H 3.650 . 3.650 2.321 2.177 2.408 . 0 0 "[ . 1 . 2]" 1
1612 2 61 GLN H 2 62 LEU MD1 5.500 . 5.500 4.494 4.001 5.102 . 0 0 "[ . 1 . 2]" 1
1613 2 61 GLN H 2 63 GLN HE22 4.930 . 4.930 5.034 4.994 5.100 0.170 4 0 "[ . 1 . 2]" 1
1614 2 61 GLN QB 2 61 GLN HG3 2.770 . 2.770 2.322 2.288 2.385 . 0 0 "[ . 1 . 2]" 1
1615 2 61 GLN QB 2 62 LEU H 4.240 . 4.240 3.028 2.878 3.139 . 0 0 "[ . 1 . 2]" 1
1616 2 61 GLN QB 2 62 LEU MD1 5.500 . 5.500 3.723 3.393 4.316 . 0 0 "[ . 1 . 2]" 1
1617 2 61 GLN HE21 2 62 LEU HA 4.980 . 4.980 2.717 2.446 4.025 . 0 0 "[ . 1 . 2]" 1
1618 2 61 GLN HE21 2 62 LEU MD1 5.500 . 5.500 2.071 1.715 4.071 . 0 0 "[ . 1 . 2]" 1
1619 2 61 GLN HE21 2 63 GLN H 5.500 . 5.500 5.546 5.236 5.588 0.088 3 0 "[ . 1 . 2]" 1
1620 2 61 GLN HE21 2 65 HIS HB2 4.160 . 4.160 3.050 2.457 4.195 0.035 7 0 "[ . 1 . 2]" 1
1621 2 61 GLN HE22 2 65 HIS HA 5.500 . 5.500 4.155 3.618 4.682 . 0 0 "[ . 1 . 2]" 1
1622 2 61 GLN HE22 2 65 HIS HB2 4.310 . 4.310 3.577 2.787 4.352 0.042 7 0 "[ . 1 . 2]" 1
1623 2 61 GLN HG2 2 62 LEU HA 3.980 . 3.980 4.170 4.138 4.201 0.221 4 0 "[ . 1 . 2]" 1
1624 2 61 GLN HG3 2 62 LEU H 5.470 . 5.470 2.548 2.433 2.653 . 0 0 "[ . 1 . 2]" 1
1625 2 62 LEU H 2 62 LEU HB2 3.910 . 3.910 2.134 2.075 2.196 . 0 0 "[ . 1 . 2]" 1
1626 2 62 LEU H 2 62 LEU HB3 3.480 . 3.480 3.208 2.886 3.394 . 0 0 "[ . 1 . 2]" 1
1627 2 62 LEU H 2 62 LEU MD1 3.650 . 3.650 3.148 2.759 3.603 . 0 0 "[ . 1 . 2]" 1
1628 2 62 LEU H 2 62 LEU MD2 4.080 . 4.080 3.938 3.622 4.101 0.021 15 0 "[ . 1 . 2]" 1
1629 2 62 LEU H 2 62 LEU HG 5.500 . 5.500 4.516 4.411 4.600 . 0 0 "[ . 1 . 2]" 1
1630 2 62 LEU H 2 63 GLN H 3.800 . 3.800 2.304 2.236 2.446 . 0 0 "[ . 1 . 2]" 1
1631 2 62 LEU H 2 63 GLN QB 4.000 . 4.000 4.056 4.022 4.082 0.082 6 0 "[ . 1 . 2]" 1
1632 2 62 LEU H 2 74 ALA MB 5.500 . 5.500 3.588 3.458 3.780 . 0 0 "[ . 1 . 2]" 1
1633 2 62 LEU HA 2 62 LEU MD1 3.000 . 3.000 1.905 1.873 1.936 . 0 0 "[ . 1 . 2]" 1
1634 2 62 LEU HA 2 65 HIS H 4.790 . 4.790 3.305 3.171 3.434 . 0 0 "[ . 1 . 2]" 1
1635 2 62 LEU HA 2 65 HIS HB2 4.190 . 4.190 2.189 1.870 2.574 . 0 0 "[ . 1 . 2]" 1
1636 2 62 LEU HB2 2 62 LEU MD1 3.150 . 3.150 2.441 2.348 2.622 . 0 0 "[ . 1 . 2]" 1
1637 2 62 LEU HB2 2 62 LEU MD2 3.500 . 3.500 2.233 2.128 2.326 . 0 0 "[ . 1 . 2]" 1
1638 2 62 LEU HB2 2 65 HIS H 5.500 . 5.500 5.494 5.390 5.577 0.077 9 0 "[ . 1 . 2]" 1
1639 2 62 LEU HB2 2 74 ALA MB 2.960 . 2.960 2.736 2.357 3.013 0.053 9 0 "[ . 1 . 2]" 1
1640 2 62 LEU HB3 2 62 LEU MD1 3.020 . 3.020 3.145 3.132 3.156 0.136 5 0 "[ . 1 . 2]" 1
1641 2 62 LEU HB3 2 74 ALA MB 5.500 . 5.500 1.961 1.783 2.176 . 0 0 "[ . 1 . 2]" 1
1642 2 62 LEU MD1 2 65 HIS H 4.900 . 4.900 4.569 4.248 4.860 . 0 0 "[ . 1 . 2]" 1
1643 2 62 LEU MD1 2 65 HIS HB2 4.210 . 4.210 2.660 2.281 3.085 . 0 0 "[ . 1 . 2]" 1
1644 2 62 LEU MD1 2 65 HIS HB3 3.920 . 3.920 3.565 2.873 3.944 0.024 1 0 "[ . 1 . 2]" 1
1645 2 62 LEU MD1 2 70 ILE MG 3.360 . 3.360 3.307 2.930 3.464 0.104 14 0 "[ . 1 . 2]" 1
1646 2 62 LEU MD2 2 74 ALA HA 5.500 . 5.500 3.804 3.145 4.346 . 0 0 "[ . 1 . 2]" 1
1647 2 62 LEU MD2 2 74 ALA MB 3.240 . 3.240 2.815 2.471 3.240 . 14 0 "[ . 1 . 2]" 1
1648 2 63 GLN H 2 63 GLN QB 3.290 . 3.290 2.145 2.035 2.194 . 0 0 "[ . 1 . 2]" 1
1649 2 63 GLN H 2 63 GLN HE22 5.370 . 5.370 4.672 4.478 4.854 . 0 0 "[ . 1 . 2]" 1
1650 2 63 GLN H 2 63 GLN HG2 3.540 . 3.540 3.621 3.576 3.683 0.143 3 0 "[ . 1 . 2]" 1
1651 2 63 GLN H 2 63 GLN HG3 4.440 . 4.440 2.224 2.178 2.393 . 0 0 "[ . 1 . 2]" 1
1652 2 63 GLN H 2 74 ALA MB 4.350 . 4.350 3.076 2.891 3.226 . 0 0 "[ . 1 . 2]" 1
1653 2 63 GLN HA 2 63 GLN HE21 5.100 . 5.100 4.395 4.230 4.514 . 0 0 "[ . 1 . 2]" 1
1654 2 63 GLN HA 2 63 GLN HE22 5.380 . 5.380 5.586 5.520 5.637 0.257 15 0 "[ . 1 . 2]" 1
1655 2 63 GLN HA 2 63 GLN HG2 3.520 . 3.520 2.444 2.317 2.617 . 0 0 "[ . 1 . 2]" 1
1656 2 63 GLN QB 2 64 SER H 4.150 . 4.150 2.916 2.821 2.999 . 0 0 "[ . 1 . 2]" 1
1657 2 63 GLN QB 2 64 SER HA 4.470 . 4.470 4.166 4.057 4.275 . 0 0 "[ . 1 . 2]" 1
1658 2 63 GLN QB 2 64 SER HB2 4.620 . 4.620 4.565 4.427 4.646 0.026 19 0 "[ . 1 . 2]" 1
1659 2 63 GLN HE21 2 74 ALA MB 5.070 . 5.070 2.972 2.627 3.561 . 0 0 "[ . 1 . 2]" 1
1660 2 63 GLN HE21 2 78 LEU H 5.500 . 5.500 4.657 3.964 5.519 0.019 19 0 "[ . 1 . 2]" 1
1661 2 63 GLN HE21 2 78 LEU MD1 4.630 . 4.630 3.283 2.902 4.557 . 0 0 "[ . 1 . 2]" 1
1662 2 63 GLN HE22 2 74 ALA MB 5.150 . 5.150 4.404 4.084 4.865 . 0 0 "[ . 1 . 2]" 1
1663 2 63 GLN HE22 2 75 GLN HA 4.150 . 4.150 3.392 2.756 4.190 0.040 19 0 "[ . 1 . 2]" 1
1664 2 63 GLN HE22 2 78 LEU HA 5.500 . 5.500 5.424 4.745 5.655 0.155 3 0 "[ . 1 . 2]" 1
1665 2 63 GLN HE22 2 78 LEU HB2 4.620 . 4.620 3.735 2.350 4.675 0.055 15 0 "[ . 1 . 2]" 1
1666 2 63 GLN HE22 2 78 LEU MD1 4.460 . 4.460 2.166 1.605 3.700 . 0 0 "[ . 1 . 2]" 1
1667 2 63 GLN HE22 2 78 LEU QD 4.080 . 4.080 1.808 1.574 2.535 . 0 0 "[ . 1 . 2]" 1
1668 2 63 GLN HE22 2 78 LEU HG 5.380 . 5.380 3.026 1.742 4.718 . 0 0 "[ . 1 . 2]" 1
1669 2 63 GLN HG2 2 74 ALA MB 4.500 . 4.500 2.836 2.584 3.180 . 0 0 "[ . 1 . 2]" 1
1670 2 63 GLN HG2 2 75 GLN HA 3.720 . 3.720 2.925 2.168 3.486 . 0 0 "[ . 1 . 2]" 1
1671 2 63 GLN HG2 2 78 LEU QD 4.420 . 4.420 4.387 4.168 4.571 0.151 19 0 "[ . 1 . 2]" 1
1672 2 63 GLN HG3 2 64 SER H 5.280 . 5.280 4.434 4.313 4.640 . 0 0 "[ . 1 . 2]" 1
1673 2 63 GLN HG3 2 75 GLN H 4.530 . 4.530 3.788 3.343 4.148 . 0 0 "[ . 1 . 2]" 1
1674 2 63 GLN HG3 2 75 GLN HA 3.880 . 3.880 3.649 3.043 3.907 0.027 16 0 "[ . 1 . 2]" 1
1675 2 63 GLN HG3 2 78 LEU QD 4.630 . 4.630 4.310 4.071 4.503 . 0 0 "[ . 1 . 2]" 1
1676 2 64 SER H 2 64 SER HA 2.890 . 2.890 2.914 2.884 2.931 0.041 6 0 "[ . 1 . 2]" 1
1677 2 64 SER H 2 64 SER HB2 3.600 . 3.600 2.533 2.474 2.604 . 0 0 "[ . 1 . 2]" 1
1678 2 64 SER H 2 64 SER HB3 4.080 . 4.080 3.670 3.598 3.744 . 0 0 "[ . 1 . 2]" 1
1679 2 64 SER H 2 65 HIS HB3 4.830 . 4.830 4.491 4.275 4.773 . 0 0 "[ . 1 . 2]" 1
1680 2 64 SER HA 2 64 SER HB3 2.930 . 2.930 2.441 2.379 2.496 . 0 0 "[ . 1 . 2]" 1
1681 2 64 SER HA 2 71 GLN HE21 3.770 . 3.770 3.628 2.936 3.841 0.071 6 0 "[ . 1 . 2]" 1
1682 2 64 SER HA 2 71 GLN HE22 4.820 . 4.820 4.208 3.714 4.835 0.015 10 0 "[ . 1 . 2]" 1
1683 2 64 SER HA 2 71 GLN HG3 4.260 . 4.260 3.799 2.898 4.328 0.068 2 0 "[ . 1 . 2]" 1
1684 2 65 HIS H 2 65 HIS HB2 3.770 . 3.770 2.685 2.316 2.884 . 0 0 "[ . 1 . 2]" 1
1685 2 65 HIS H 2 65 HIS HB3 3.670 . 3.670 2.486 2.358 2.690 . 0 0 "[ . 1 . 2]" 1
1686 2 65 HIS H 2 66 GLU H 4.830 . 4.830 4.372 3.135 4.655 . 0 0 "[ . 1 . 2]" 1
1687 2 65 HIS H 2 70 ILE MG 4.680 . 4.680 4.592 4.136 4.735 0.055 2 0 "[ . 1 . 2]" 1
1688 2 65 HIS H 2 71 GLN HB2 4.730 . 4.730 3.975 3.635 4.342 . 0 0 "[ . 1 . 2]" 1
1689 2 65 HIS H 2 71 GLN HE22 5.440 . 5.440 5.253 4.664 5.538 0.098 2 0 "[ . 1 . 2]" 1
1690 2 65 HIS HA 2 66 GLU H 2.890 . 2.890 2.243 2.111 2.905 0.015 14 0 "[ . 1 . 2]" 1
1691 2 65 HIS HB2 2 66 GLU H 4.700 . 4.700 4.236 3.863 4.578 . 0 0 "[ . 1 . 2]" 1
1692 2 65 HIS HB2 2 70 ILE MG 4.200 . 4.200 4.002 3.583 4.234 0.034 5 0 "[ . 1 . 2]" 1
1693 2 65 HIS HB3 2 66 GLU H 4.630 . 4.630 4.121 3.859 4.521 . 0 0 "[ . 1 . 2]" 1
1694 2 65 HIS HB3 2 70 ILE MG 4.760 . 4.760 3.085 2.646 3.321 . 0 0 "[ . 1 . 2]" 1
1695 2 65 HIS HB3 2 71 GLN HA 4.090 . 4.090 4.007 3.672 4.167 0.077 5 0 "[ . 1 . 2]" 1
1696 2 66 GLU H 2 66 GLU QB 3.210 . 3.210 2.450 1.905 3.102 . 0 0 "[ . 1 . 2]" 1
1697 2 66 GLU H 2 66 GLU HG2 3.390 . 3.390 2.485 2.009 3.404 0.014 15 0 "[ . 1 . 2]" 1
1698 2 66 GLU H 2 66 GLU HG3 3.730 . 3.730 3.467 2.004 3.880 0.150 14 0 "[ . 1 . 2]" 1
1699 2 66 GLU HA 2 66 GLU HG2 2.800 . 2.800 2.750 2.202 2.910 0.110 12 0 "[ . 1 . 2]" 1
1700 2 66 GLU QB 2 66 GLU HG3 2.680 . 2.680 2.201 2.085 2.358 . 0 0 "[ . 1 . 2]" 1
1701 2 67 ASN HA 2 68 GLU H 3.240 . 3.240 2.124 1.999 2.198 . 0 0 "[ . 1 . 2]" 1
1702 2 67 ASN HA 2 69 LYS H 4.580 . 4.580 3.730 3.468 3.952 . 0 0 "[ . 1 . 2]" 1
1703 2 67 ASN HA 2 70 ILE H 5.420 . 5.420 4.768 4.497 4.944 . 0 0 "[ . 1 . 2]" 1
1704 2 67 ASN HB2 2 68 GLU H 4.930 . 4.930 4.351 3.915 4.498 . 0 0 "[ . 1 . 2]" 1
1705 2 67 ASN HB2 2 69 LYS H 4.820 . 4.820 4.670 3.386 4.865 0.045 16 0 "[ . 1 . 2]" 1
1706 2 67 ASN HB2 2 70 ILE HB 4.480 . 4.480 3.833 2.035 4.533 0.053 10 0 "[ . 1 . 2]" 1
1707 2 67 ASN HB2 2 70 ILE MD 4.100 . 4.100 2.790 2.128 3.245 . 0 0 "[ . 1 . 2]" 1
1708 2 67 ASN HB3 2 70 ILE H 4.310 . 4.310 3.189 2.758 3.524 . 0 0 "[ . 1 . 2]" 1
1709 2 67 ASN HD21 2 70 ILE MD 5.500 . 5.500 3.415 2.340 3.793 . 0 0 "[ . 1 . 2]" 1
1710 2 67 ASN HD21 2 70 ILE HG13 5.400 . 5.400 4.615 3.511 5.294 . 0 0 "[ . 1 . 2]" 1
1711 2 67 ASN HD22 2 69 LYS QD 4.330 . 4.330 3.751 2.529 4.502 0.172 8 0 "[ . 1 . 2]" 1
1712 2 67 ASN HD22 2 70 ILE MD 3.750 . 3.750 3.595 3.163 3.843 0.093 19 0 "[ . 1 . 2]" 1
1713 2 68 GLU H 2 68 GLU QB 3.220 . 3.220 2.522 2.244 2.863 . 0 0 "[ . 1 . 2]" 1
1714 2 68 GLU H 2 68 GLU HG2 3.850 . 3.850 3.556 3.289 3.783 . 0 0 "[ . 1 . 2]" 1
1715 2 68 GLU H 2 68 GLU HG3 3.860 . 3.860 2.491 2.170 3.632 . 0 0 "[ . 1 . 2]" 1
1716 2 68 GLU H 2 69 LYS H 4.050 . 4.050 2.698 2.413 2.896 . 0 0 "[ . 1 . 2]" 1
1717 2 68 GLU HA 2 70 ILE H 5.070 . 5.070 4.720 4.318 5.011 . 0 0 "[ . 1 . 2]" 1
1718 2 68 GLU HA 2 71 GLN H 3.730 . 3.730 3.536 3.098 3.784 0.054 18 0 "[ . 1 . 2]" 1
1719 2 68 GLU HA 2 71 GLN HB3 2.850 . 2.850 2.429 1.957 2.894 0.044 18 0 "[ . 1 . 2]" 1
1720 2 68 GLU HA 2 71 GLN HE22 5.500 . 5.500 4.347 3.626 5.088 . 0 0 "[ . 1 . 2]" 1
1721 2 68 GLU HG3 2 71 GLN HB3 5.500 . 5.500 5.176 4.775 5.531 0.031 15 0 "[ . 1 . 2]" 1
1722 2 69 LYS H 2 69 LYS HB2 3.170 . 3.170 2.534 2.288 2.684 . 0 0 "[ . 1 . 2]" 1
1723 2 69 LYS H 2 69 LYS HG2 3.870 . 3.870 3.356 2.661 3.872 0.002 13 0 "[ . 1 . 2]" 1
1724 2 69 LYS H 2 69 LYS HG3 3.990 . 3.990 2.477 1.976 3.455 . 0 0 "[ . 1 . 2]" 1
1725 2 69 LYS H 2 70 ILE H 3.460 . 3.460 2.453 2.267 2.696 . 0 0 "[ . 1 . 2]" 1
1726 2 69 LYS H 2 70 ILE HB 5.500 . 5.500 4.525 4.328 4.777 . 0 0 "[ . 1 . 2]" 1
1727 2 69 LYS H 2 70 ILE MD 4.780 . 4.780 4.838 4.803 4.888 0.108 2 0 "[ . 1 . 2]" 1
1728 2 69 LYS HA 2 69 LYS HG2 3.700 . 3.700 2.675 2.344 3.732 0.032 5 0 "[ . 1 . 2]" 1
1729 2 69 LYS HA 2 71 GLN H 5.500 . 5.500 4.551 4.342 4.767 . 0 0 "[ . 1 . 2]" 1
1730 2 69 LYS HB2 2 70 ILE H 3.740 . 3.740 2.135 1.933 2.501 . 0 0 "[ . 1 . 2]" 1
1731 2 69 LYS HB3 2 70 ILE HG13 4.340 . 4.340 4.056 3.179 4.371 0.031 7 0 "[ . 1 . 2]" 1
1732 2 69 LYS HG2 2 70 ILE H 4.450 . 4.450 4.525 4.394 4.591 0.141 14 0 "[ . 1 . 2]" 1
1733 2 70 ILE H 2 70 ILE HB 3.730 . 3.730 2.564 2.354 2.793 . 0 0 "[ . 1 . 2]" 1
1734 2 70 ILE H 2 70 ILE MD 3.640 . 3.640 3.377 3.144 3.524 . 0 0 "[ . 1 . 2]" 1
1735 2 70 ILE H 2 70 ILE HG12 3.980 . 3.980 3.507 3.304 3.709 . 0 0 "[ . 1 . 2]" 1
1736 2 70 ILE H 2 70 ILE HG13 4.480 . 4.480 2.107 1.942 2.332 . 0 0 "[ . 1 . 2]" 1
1737 2 70 ILE H 2 70 ILE MG 4.050 . 4.050 3.810 3.725 3.864 . 0 0 "[ . 1 . 2]" 1
1738 2 70 ILE H 2 71 GLN H 3.580 . 3.580 2.721 2.466 2.964 . 0 0 "[ . 1 . 2]" 1
1739 2 70 ILE H 2 71 GLN HB2 5.500 . 5.500 4.990 4.548 5.407 . 0 0 "[ . 1 . 2]" 1
1740 2 70 ILE H 2 72 LYS H 5.500 . 5.500 4.425 4.146 4.735 . 0 0 "[ . 1 . 2]" 1
1741 2 70 ILE H 2 73 GLU H 5.270 . 5.270 4.822 4.568 5.179 . 0 0 "[ . 1 . 2]" 1
1742 2 70 ILE HA 2 70 ILE MD 3.800 . 3.800 3.825 3.776 3.848 0.048 9 0 "[ . 1 . 2]" 1
1743 2 70 ILE HA 2 70 ILE HG12 4.190 . 4.190 2.587 2.508 2.692 . 0 0 "[ . 1 . 2]" 1
1744 2 70 ILE HA 2 70 ILE HG13 3.780 . 3.780 2.811 2.642 2.927 . 0 0 "[ . 1 . 2]" 1
1745 2 70 ILE HA 2 70 ILE MG 3.520 . 3.520 2.420 2.325 2.538 . 0 0 "[ . 1 . 2]" 1
1746 2 70 ILE HA 2 73 GLU H 3.920 . 3.920 3.517 3.252 3.926 0.006 14 0 "[ . 1 . 2]" 1
1747 2 70 ILE HA 2 73 GLU HB2 4.450 . 4.450 2.789 2.306 3.442 . 0 0 "[ . 1 . 2]" 1
1748 2 70 ILE HA 2 73 GLU QG 5.340 . 5.340 3.874 3.007 4.796 . 0 0 "[ . 1 . 2]" 1
1749 2 70 ILE HA 2 74 ALA H 5.050 . 5.050 3.660 3.336 3.980 . 0 0 "[ . 1 . 2]" 1
1750 2 70 ILE HB 2 70 ILE MD 3.340 . 3.340 2.354 2.289 2.401 . 0 0 "[ . 1 . 2]" 1
1751 2 70 ILE HB 2 71 GLN H 4.070 . 4.070 2.556 2.299 2.709 . 0 0 "[ . 1 . 2]" 1
1752 2 70 ILE HB 2 71 GLN HA 4.370 . 4.370 4.178 3.990 4.305 . 0 0 "[ . 1 . 2]" 1
1753 2 70 ILE HB 2 74 ALA MB 5.060 . 5.060 4.559 4.303 4.789 . 0 0 "[ . 1 . 2]" 1
1754 2 70 ILE MD 2 70 ILE MG 3.990 . 3.990 2.087 1.972 2.216 . 0 0 "[ . 1 . 2]" 1
1755 2 70 ILE HG12 2 71 GLN H 5.500 . 5.500 4.986 4.808 5.107 . 0 0 "[ . 1 . 2]" 1
1756 2 70 ILE HG13 2 71 GLN H 4.730 . 4.730 4.211 4.000 4.448 . 0 0 "[ . 1 . 2]" 1
1757 2 70 ILE MG 2 71 GLN H 3.890 . 3.890 3.367 3.076 3.566 . 0 0 "[ . 1 . 2]" 1
1758 2 70 ILE MG 2 71 GLN HA 4.790 . 4.790 3.367 3.080 3.706 . 0 0 "[ . 1 . 2]" 1
1759 2 70 ILE MG 2 72 LYS H 5.350 . 5.350 4.976 4.773 5.161 . 0 0 "[ . 1 . 2]" 1
1760 2 70 ILE MG 2 73 GLU H 5.500 . 5.500 4.674 4.378 4.848 . 0 0 "[ . 1 . 2]" 1
1761 2 70 ILE MG 2 74 ALA H 5.460 . 5.460 3.619 3.415 3.749 . 0 0 "[ . 1 . 2]" 1
1762 2 70 ILE MG 2 74 ALA HA 3.860 . 3.860 4.060 4.001 4.120 0.260 19 0 "[ . 1 . 2]" 1
1763 2 70 ILE MG 2 74 ALA MB 3.950 . 3.950 2.424 2.257 2.666 . 0 0 "[ . 1 . 2]" 1
1764 2 71 GLN H 2 71 GLN HB2 3.770 . 3.770 2.435 2.320 2.534 . 0 0 "[ . 1 . 2]" 1
1765 2 71 GLN H 2 72 LYS H 4.190 . 4.190 2.892 2.736 3.063 . 0 0 "[ . 1 . 2]" 1
1766 2 71 GLN HA 2 71 GLN HB3 2.930 . 2.930 2.979 2.964 3.005 0.075 15 0 "[ . 1 . 2]" 1
1767 2 71 GLN HA 2 71 GLN HE21 5.420 . 5.420 3.943 3.665 4.304 . 0 0 "[ . 1 . 2]" 1
1768 2 71 GLN HA 2 71 GLN HG2 3.540 . 3.540 3.304 3.065 3.493 . 0 0 "[ . 1 . 2]" 1
1769 2 71 GLN HA 2 71 GLN HG3 2.970 . 2.970 2.590 2.491 2.721 . 0 0 "[ . 1 . 2]" 1
1770 2 71 GLN HB2 2 72 LYS H 3.740 . 3.740 3.794 3.701 3.842 0.102 11 0 "[ . 1 . 2]" 1
1771 2 71 GLN HB3 2 71 GLN HE21 4.770 . 4.770 3.301 2.904 3.883 . 0 0 "[ . 1 . 2]" 1
1772 2 71 GLN HB3 2 71 GLN HE22 4.280 . 4.280 4.134 3.965 4.347 0.067 15 0 "[ . 1 . 2]" 1
1773 2 71 GLN HB3 2 72 LYS H 3.360 . 3.360 2.418 2.303 2.531 . 0 0 "[ . 1 . 2]" 1
1774 2 71 GLN HB3 2 72 LYS HG2 5.500 . 5.500 3.823 2.856 5.576 0.076 2 0 "[ . 1 . 2]" 1
1775 2 71 GLN HG2 2 72 LYS HA 3.690 . 3.690 3.555 3.171 3.707 0.017 8 0 "[ . 1 . 2]" 1
1776 2 71 GLN HG2 2 72 LYS HG2 5.500 . 5.500 4.051 2.612 5.563 0.063 2 0 "[ . 1 . 2]" 1
1777 2 72 LYS H 2 72 LYS HB2 3.650 . 3.650 2.633 2.145 3.671 0.021 5 0 "[ . 1 . 2]" 1
1778 2 72 LYS H 2 72 LYS HB3 3.460 . 3.460 3.298 2.490 3.576 0.116 15 0 "[ . 1 . 2]" 1
1779 2 72 LYS H 2 72 LYS QD 4.350 . 4.350 3.818 3.374 4.395 0.045 2 0 "[ . 1 . 2]" 1
1780 2 72 LYS H 2 72 LYS HE2 5.500 . 5.500 4.670 3.231 5.353 . 0 0 "[ . 1 . 2]" 1
1781 2 72 LYS H 2 72 LYS HG2 4.290 . 4.290 2.712 2.016 4.157 . 0 0 "[ . 1 . 2]" 1
1782 2 72 LYS H 2 72 LYS HG3 4.250 . 4.250 3.412 1.987 4.270 0.020 2 0 "[ . 1 . 2]" 1
1783 2 72 LYS H 2 73 GLU H 3.550 . 3.550 2.599 2.428 2.857 . 0 0 "[ . 1 . 2]" 1
1784 2 72 LYS H 2 74 ALA H 5.160 . 5.160 3.925 3.825 4.027 . 0 0 "[ . 1 . 2]" 1
1785 2 72 LYS HA 2 72 LYS HB2 2.860 . 2.860 2.806 2.447 2.965 0.105 13 0 "[ . 1 . 2]" 1
1786 2 72 LYS HA 2 72 LYS QD 4.920 . 4.920 2.952 1.825 4.515 . 0 0 "[ . 1 . 2]" 1
1787 2 72 LYS HA 2 72 LYS HG3 3.840 . 3.840 3.596 2.926 3.853 0.013 10 0 "[ . 1 . 2]" 1
1788 2 72 LYS HB2 2 72 LYS HE2 4.590 . 4.590 4.404 2.970 4.657 0.067 7 0 "[ . 1 . 2]" 1
1789 2 72 LYS HB2 2 73 GLU H 3.750 . 3.750 2.991 2.227 3.782 0.032 20 0 "[ . 1 . 2]" 1
1790 2 72 LYS HB3 2 72 LYS QD 2.890 . 2.890 2.478 2.081 3.015 0.125 5 0 "[ . 1 . 2]" 1
1791 2 72 LYS QD 2 72 LYS HE2 2.400 . 2.400 2.347 2.310 2.443 0.043 16 0 "[ . 1 . 2]" 1
1792 2 72 LYS HE2 2 72 LYS HG2 2.890 . 2.890 2.524 2.344 2.933 0.043 20 0 "[ . 1 . 2]" 1
1793 2 72 LYS HE3 2 72 LYS HG2 3.520 . 3.520 3.066 2.404 3.618 0.098 17 0 "[ . 1 . 2]" 1
1794 2 72 LYS HG2 2 73 GLU H 4.720 . 4.720 4.188 2.350 4.812 0.092 17 0 "[ . 1 . 2]" 1
1795 2 73 GLU H 2 73 GLU HB2 3.340 . 3.340 2.513 2.351 2.654 . 0 0 "[ . 1 . 2]" 1
1796 2 73 GLU H 2 73 GLU HB3 3.560 . 3.560 3.590 3.564 3.617 0.057 19 0 "[ . 1 . 2]" 1
1797 2 73 GLU H 2 74 ALA H 3.600 . 3.600 2.513 2.335 2.670 . 0 0 "[ . 1 . 2]" 1
1798 2 73 GLU H 2 74 ALA MB 5.130 . 5.130 4.167 4.010 4.313 . 0 0 "[ . 1 . 2]" 1
1799 2 74 ALA H 2 74 ALA MB 3.040 . 3.040 2.223 2.193 2.278 . 0 0 "[ . 1 . 2]" 1
1800 2 74 ALA H 2 75 GLN H 3.430 . 3.430 2.583 2.438 2.762 . 0 0 "[ . 1 . 2]" 1
1801 2 74 ALA H 2 76 GLU QB 4.710 . 4.710 4.450 4.212 4.573 . 0 0 "[ . 1 . 2]" 1
1802 2 74 ALA MB 2 75 GLN H 4.060 . 4.060 2.447 2.161 2.664 . 0 0 "[ . 1 . 2]" 1
1803 2 75 GLN H 2 75 GLN QB 3.570 . 3.570 2.305 2.143 2.794 . 0 0 "[ . 1 . 2]" 1
1804 2 75 GLN HA 2 76 GLU H 3.450 . 3.450 3.471 3.433 3.497 0.047 19 0 "[ . 1 . 2]" 1
1805 2 75 GLN HA 2 78 LEU HB2 3.320 . 3.320 3.056 2.420 3.377 0.057 16 0 "[ . 1 . 2]" 1
1806 2 76 GLU H 2 76 GLU QB 2.940 . 2.940 2.184 1.947 2.251 . 0 0 "[ . 1 . 2]" 1
1807 2 76 GLU QB 2 77 ALA H 4.450 . 4.450 2.549 2.222 2.788 . 0 0 "[ . 1 . 2]" 1
1808 2 76 GLU QG 2 77 ALA H 4.910 . 4.910 3.657 3.260 4.214 . 0 0 "[ . 1 . 2]" 1
1809 2 77 ALA H 2 77 ALA MB 2.920 . 2.920 2.260 2.231 2.291 . 0 0 "[ . 1 . 2]" 1
1810 2 77 ALA H 2 78 LEU HA 5.380 . 5.380 5.252 5.089 5.356 . 0 0 "[ . 1 . 2]" 1
1811 2 77 ALA H 2 78 LEU HB2 4.800 . 4.800 4.706 4.441 4.843 0.043 2 0 "[ . 1 . 2]" 1
1812 2 77 ALA H 2 79 GLU H 5.370 . 5.370 4.094 3.929 4.682 . 0 0 "[ . 1 . 2]" 1
1813 2 77 ALA H 2 80 LYS HE2 5.500 . 5.500 4.617 4.051 5.265 . 0 0 "[ . 1 . 2]" 1
1814 2 77 ALA H 2 80 LYS HE3 5.500 . 5.500 5.488 5.296 5.547 0.047 6 0 "[ . 1 . 2]" 1
1815 2 77 ALA HA 2 79 GLU H 3.950 . 3.950 4.003 3.907 4.059 0.109 7 0 "[ . 1 . 2]" 1
1816 2 77 ALA HA 2 80 LYS H 3.600 . 3.600 3.489 3.300 3.622 0.022 2 0 "[ . 1 . 2]" 1
1817 2 77 ALA HA 2 80 LYS HE2 4.560 . 4.560 3.193 2.395 3.958 . 0 0 "[ . 1 . 2]" 1
1818 2 77 ALA MB 2 78 LEU H 3.150 . 3.150 2.755 2.520 3.088 . 0 0 "[ . 1 . 2]" 1
1819 2 77 ALA MB 2 80 LYS HE2 5.090 . 5.090 4.603 3.886 5.140 0.050 18 0 "[ . 1 . 2]" 1
1820 2 78 LEU H 2 78 LEU HB2 3.090 . 3.090 2.293 2.125 2.413 . 0 0 "[ . 1 . 2]" 1
1821 2 78 LEU H 2 78 LEU HB3 3.930 . 3.930 3.239 2.562 3.616 . 0 0 "[ . 1 . 2]" 1
1822 2 78 LEU H 2 78 LEU MD2 5.080 . 5.080 3.786 3.367 4.352 . 0 0 "[ . 1 . 2]" 1
1823 2 78 LEU H 2 79 GLU H 3.470 . 3.470 2.541 2.297 2.882 . 0 0 "[ . 1 . 2]" 1
1824 2 78 LEU H 2 81 LEU MD2 4.610 . 4.610 4.395 4.010 4.618 0.008 7 0 "[ . 1 . 2]" 1
1825 2 78 LEU HA 2 78 LEU QD 3.030 . 3.030 2.014 1.905 2.173 . 0 0 "[ . 1 . 2]" 1
1826 2 78 LEU HA 2 80 LYS H 4.240 . 4.240 3.881 3.670 4.047 . 0 0 "[ . 1 . 2]" 1
1827 2 78 LEU HA 2 81 LEU H 4.590 . 4.590 3.615 3.116 4.053 . 0 0 "[ . 1 . 2]" 1
1828 2 78 LEU HA 2 81 LEU HB2 4.440 . 4.440 3.547 2.535 4.196 . 0 0 "[ . 1 . 2]" 1
1829 2 78 LEU HA 2 81 LEU MD2 3.580 . 3.580 2.432 2.022 2.749 . 0 0 "[ . 1 . 2]" 1
1830 2 78 LEU HB2 2 78 LEU QD 3.150 . 3.150 2.250 2.129 2.437 . 0 0 "[ . 1 . 2]" 1
1831 2 78 LEU HB2 2 79 GLU H 3.480 . 3.480 3.164 2.787 3.595 0.115 8 0 "[ . 1 . 2]" 1
1832 2 78 LEU HB3 2 78 LEU QD 2.840 . 2.840 2.131 2.039 2.420 . 0 0 "[ . 1 . 2]" 1
1833 2 78 LEU QD 2 82 GLN HE22 4.650 . 4.650 3.018 2.262 4.414 . 0 0 "[ . 1 . 2]" 1
1834 2 78 LEU QD 2 82 GLN HG3 4.210 . 4.210 3.847 2.401 4.253 0.043 15 0 "[ . 1 . 2]" 1
1835 2 78 LEU MD2 2 79 GLU H 5.170 . 5.170 4.576 4.189 4.800 . 0 0 "[ . 1 . 2]" 1
1836 2 78 LEU MD2 2 82 GLN HE22 5.500 . 5.500 3.938 2.267 5.572 0.072 12 0 "[ . 1 . 2]" 1
1837 2 78 LEU MD2 2 82 GLN HG2 5.500 . 5.500 5.039 3.566 5.524 0.024 18 0 "[ . 1 . 2]" 1
1838 2 78 LEU HG 2 81 LEU MD2 5.500 . 5.500 4.746 3.918 5.527 0.027 12 0 "[ . 1 . 2]" 1
1839 2 78 LEU HG 2 82 GLN HE21 5.500 . 5.500 4.289 1.788 5.509 0.009 15 0 "[ . 1 . 2]" 1
1840 2 79 GLU H 2 79 GLU QB 3.510 . 3.510 2.468 2.365 2.659 . 0 0 "[ . 1 . 2]" 1
1841 2 79 GLU H 2 79 GLU QG 3.100 . 3.100 2.197 1.793 2.583 . 0 0 "[ . 1 . 2]" 1
1842 2 79 GLU H 2 80 LYS H 3.590 . 3.590 2.563 2.452 2.721 . 0 0 "[ . 1 . 2]" 1
1843 2 79 GLU H 2 80 LYS HD3 5.220 . 5.220 4.912 4.181 5.255 0.035 18 0 "[ . 1 . 2]" 1
1844 2 79 GLU H 2 81 LEU MD2 5.500 . 5.500 4.552 4.350 4.810 . 0 0 "[ . 1 . 2]" 1
1845 2 79 GLU H 2 82 GLN H 5.500 . 5.500 4.864 4.614 5.249 . 0 0 "[ . 1 . 2]" 1
1846 2 79 GLU QB 2 80 LYS HG2 5.500 . 5.500 3.931 3.256 5.283 . 0 0 "[ . 1 . 2]" 1
1847 2 80 LYS H 2 80 LYS HB2 3.770 . 3.770 2.635 1.939 2.774 . 0 0 "[ . 1 . 2]" 1
1848 2 80 LYS H 2 80 LYS HB3 3.960 . 3.960 3.593 3.176 3.660 . 0 0 "[ . 1 . 2]" 1
1849 2 80 LYS H 2 80 LYS HD3 3.780 . 3.780 3.177 2.869 3.428 . 0 0 "[ . 1 . 2]" 1
1850 2 80 LYS H 2 80 LYS HE2 4.680 . 4.680 3.778 2.551 4.325 . 0 0 "[ . 1 . 2]" 1
1851 2 80 LYS H 2 80 LYS HG2 4.100 . 4.100 2.161 1.937 4.106 0.006 10 0 "[ . 1 . 2]" 1
1852 2 80 LYS H 2 80 LYS HG3 4.020 . 4.020 3.613 3.487 4.149 0.129 10 0 "[ . 1 . 2]" 1
1853 2 80 LYS H 2 81 LEU H 5.500 . 5.500 2.443 2.278 2.549 . 0 0 "[ . 1 . 2]" 1
1854 2 80 LYS H 2 81 LEU MD2 3.950 . 3.950 3.328 3.066 3.655 . 0 0 "[ . 1 . 2]" 1
1855 2 80 LYS HA 2 80 LYS HG2 3.440 . 3.440 3.314 3.134 3.507 0.067 10 0 "[ . 1 . 2]" 1
1856 2 80 LYS HB3 2 80 LYS HD3 3.530 . 3.530 3.102 2.934 3.600 0.070 10 0 "[ . 1 . 2]" 1
1857 2 80 LYS HE2 2 80 LYS HG3 4.130 . 4.130 3.064 2.851 3.819 . 0 0 "[ . 1 . 2]" 1
1858 2 81 LEU H 2 81 LEU HB2 3.440 . 3.440 2.464 2.368 2.580 . 0 0 "[ . 1 . 2]" 1
1859 2 81 LEU H 2 81 LEU HB3 3.930 . 3.930 3.647 3.611 3.711 . 0 0 "[ . 1 . 2]" 1
1860 2 81 LEU H 2 81 LEU MD1 4.230 . 4.230 3.527 3.185 3.827 . 0 0 "[ . 1 . 2]" 1
1861 2 81 LEU H 2 81 LEU MD2 4.400 . 4.400 2.139 1.926 2.423 . 0 0 "[ . 1 . 2]" 1
1862 2 81 LEU H 2 82 GLN H 3.320 . 3.320 2.289 2.123 2.635 . 0 0 "[ . 1 . 2]" 1
1863 2 81 LEU H 2 82 GLN HA 5.310 . 5.310 4.926 4.759 5.245 . 0 0 "[ . 1 . 2]" 1
1864 2 81 LEU HA 2 81 LEU MD1 3.470 . 3.470 2.070 1.968 2.162 . 0 0 "[ . 1 . 2]" 1
1865 2 81 LEU HB2 2 81 LEU MD1 3.250 . 3.250 3.200 3.180 3.215 . 0 0 "[ . 1 . 2]" 1
1866 2 81 LEU HB2 2 82 GLN H 4.010 . 4.010 2.955 2.450 3.645 . 0 0 "[ . 1 . 2]" 1
1867 2 81 LEU HB3 2 82 GLN H 4.830 . 4.830 3.791 3.438 4.214 . 0 0 "[ . 1 . 2]" 1
1868 2 81 LEU MD1 2 82 GLN H 5.010 . 5.010 4.632 4.458 4.703 . 0 0 "[ . 1 . 2]" 1
1869 2 81 LEU MD2 2 82 GLN H 5.080 . 5.080 3.913 3.571 4.225 . 0 0 "[ . 1 . 2]" 1
1870 2 82 GLN H 2 82 GLN HB2 3.420 . 3.420 2.448 2.367 2.510 . 0 0 "[ . 1 . 2]" 1
1871 2 82 GLN H 2 82 GLN HB3 3.640 . 3.640 3.603 3.562 3.677 0.037 19 0 "[ . 1 . 2]" 1
1872 2 82 GLN H 2 82 GLN HG2 3.890 . 3.890 3.558 2.330 3.885 . 0 0 "[ . 1 . 2]" 1
1873 2 82 GLN H 2 82 GLN HG3 3.710 . 3.710 2.478 2.081 3.722 0.012 7 0 "[ . 1 . 2]" 1
1874 2 82 GLN HA 2 82 GLN HG3 3.480 . 3.480 3.042 2.779 3.617 0.137 7 0 "[ . 1 . 2]" 1
1875 2 83 SER HA 2 83 SER QB 2.570 . 2.570 2.208 2.130 2.397 . 0 0 "[ . 1 . 2]" 1
1876 2 83 SER HA 2 84 HIS H 3.040 . 3.040 2.414 2.061 3.202 0.162 2 0 "[ . 1 . 2]" 1
1877 2 83 SER QB 2 84 HIS H 3.690 . 3.690 2.927 1.969 3.566 . 0 0 "[ . 1 . 2]" 1
1878 2 84 HIS H 2 84 HIS HB2 3.850 . 3.850 3.330 2.500 3.908 0.058 15 0 "[ . 1 . 2]" 1
1879 2 84 HIS H 2 84 HIS HB3 4.010 . 4.010 3.245 2.482 3.826 . 0 0 "[ . 1 . 2]" 1
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