NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477625 |
2kzx   |
17022 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kzx
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 2689
_Distance_constraint_stats_list.Viol_count 1799
_Distance_constraint_stats_list.Viol_total 2662.728
_Distance_constraint_stats_list.Viol_max 0.688
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0740
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 3.594 0.305 10 0 "[ . 1 . 2]"
1 2 LYS 1.443 0.215 14 0 "[ . 1 . 2]"
1 3 ASP 2.723 0.245 19 0 "[ . 1 . 2]"
1 4 GLY 2.143 0.167 19 0 "[ . 1 . 2]"
1 5 THR 1.376 0.159 19 0 "[ . 1 . 2]"
1 6 TYR 6.245 0.391 20 0 "[ . 1 . 2]"
1 7 TYR 5.097 0.391 20 0 "[ . 1 . 2]"
1 8 ALA 1.232 0.140 9 0 "[ . 1 . 2]"
1 9 GLU 4.046 0.207 4 0 "[ . 1 . 2]"
1 10 ALA 2.519 0.244 9 0 "[ . 1 . 2]"
1 11 ASP 0.135 0.135 6 0 "[ . 1 . 2]"
1 12 ASP 0.201 0.093 6 0 "[ . 1 . 2]"
1 13 PHE 1.872 0.144 1 0 "[ . 1 . 2]"
1 14 ASP 0.865 0.183 12 0 "[ . 1 . 2]"
1 15 GLU 0.746 0.290 15 0 "[ . 1 . 2]"
1 16 SER 3.123 0.290 15 0 "[ . 1 . 2]"
1 17 GLY 0.481 0.118 15 0 "[ . 1 . 2]"
1 18 TRP 2.186 0.242 3 0 "[ . 1 . 2]"
1 19 LYS 4.008 0.207 4 0 "[ . 1 . 2]"
1 20 ASP 1.258 0.220 7 0 "[ . 1 . 2]"
1 21 THR 2.357 0.187 12 0 "[ . 1 . 2]"
1 22 VAL 3.201 0.230 15 0 "[ . 1 . 2]"
1 23 THR 4.196 0.211 19 0 "[ . 1 . 2]"
1 24 ILE 3.447 0.211 19 0 "[ . 1 . 2]"
1 25 GLU 4.551 0.237 12 0 "[ . 1 . 2]"
1 26 VAL 2.341 0.167 19 0 "[ . 1 . 2]"
1 27 LYS 3.846 0.193 5 0 "[ . 1 . 2]"
1 28 ASN 4.393 0.247 12 0 "[ . 1 . 2]"
1 29 GLY 1.646 0.247 12 0 "[ . 1 . 2]"
1 30 LYS 1.400 0.176 12 0 "[ . 1 . 2]"
1 31 ILE 3.490 0.237 12 0 "[ . 1 . 2]"
1 32 VAL 2.124 0.211 12 0 "[ . 1 . 2]"
1 33 SER 3.133 0.196 17 0 "[ . 1 . 2]"
1 34 VAL 6.270 0.292 6 0 "[ . 1 . 2]"
1 35 ASP 4.308 0.292 6 0 "[ . 1 . 2]"
1 36 TRP 0.449 0.098 11 0 "[ . 1 . 2]"
1 37 ASN 0.222 0.085 14 0 "[ . 1 . 2]"
1 38 ALA 2.304 0.294 12 0 "[ . 1 . 2]"
1 39 ILE 2.898 0.128 11 0 "[ . 1 . 2]"
1 40 ASN 0.935 0.153 17 0 "[ . 1 . 2]"
1 41 LYS 1.150 0.123 14 0 "[ . 1 . 2]"
1 42 ASP 0.486 0.089 12 0 "[ . 1 . 2]"
1 43 GLY 0.705 0.123 14 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.414 0.191 20 0 "[ . 1 . 2]"
1 46 ASP 1.886 0.295 20 0 "[ . 1 . 2]"
1 47 LYS 2.777 0.294 12 0 "[ . 1 . 2]"
1 48 ASP 0.023 0.010 5 0 "[ . 1 . 2]"
1 49 THR 0.473 0.295 20 0 "[ . 1 . 2]"
1 50 LEU 2.043 0.195 6 0 "[ . 1 . 2]"
1 51 SER 0.120 0.045 14 0 "[ . 1 . 2]"
1 52 ARG 0.172 0.079 20 0 "[ . 1 . 2]"
1 53 ASN 0.366 0.102 1 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 1.225 0.195 6 0 "[ . 1 . 2]"
1 56 TYR 3.194 0.242 3 0 "[ . 1 . 2]"
1 57 LYS 0.280 0.106 5 0 "[ . 1 . 2]"
1 58 MET 1.816 0.149 19 0 "[ . 1 . 2]"
1 59 VAL 3.193 0.282 5 0 "[ . 1 . 2]"
1 60 GLU 1.752 0.266 9 0 "[ . 1 . 2]"
1 61 TYR 0.775 0.115 13 0 "[ . 1 . 2]"
1 62 GLY 0.786 0.171 18 0 "[ . 1 . 2]"
1 63 GLY 0.563 0.266 9 0 "[ . 1 . 2]"
1 64 ALA 2.350 0.205 14 0 "[ . 1 . 2]"
1 65 GLN 2.878 0.205 14 0 "[ . 1 . 2]"
1 66 ALA 1.114 0.185 17 0 "[ . 1 . 2]"
1 67 GLU 1.160 0.183 7 0 "[ . 1 . 2]"
1 68 TRP 3.016 0.187 12 0 "[ . 1 . 2]"
1 71 GLN 0.073 0.057 6 0 "[ . 1 . 2]"
1 72 ALA 0.065 0.043 6 0 "[ . 1 . 2]"
1 73 GLU 0.677 0.175 1 0 "[ . 1 . 2]"
1 74 LYS 1.592 0.304 6 0 "[ . 1 . 2]"
1 75 VAL 1.523 0.219 5 0 "[ . 1 . 2]"
1 76 GLU 0.333 0.150 17 0 "[ . 1 . 2]"
1 77 ALA 0.811 0.097 9 0 "[ . 1 . 2]"
1 78 TYR 0.762 0.081 5 0 "[ . 1 . 2]"
1 79 LEU 4.209 0.162 17 0 "[ . 1 . 2]"
1 80 VAL 0.817 0.082 3 0 "[ . 1 . 2]"
1 81 GLU 0.087 0.072 3 0 "[ . 1 . 2]"
1 82 LYS 2.892 0.209 2 0 "[ . 1 . 2]"
1 83 GLN 1.414 0.162 17 0 "[ . 1 . 2]"
1 84 ASP 0.835 0.209 2 0 "[ . 1 . 2]"
1 85 PRO 4.697 0.214 18 0 "[ . 1 . 2]"
1 86 THR 0.336 0.075 14 0 "[ . 1 . 2]"
1 87 ASP 0.544 0.169 2 0 "[ . 1 . 2]"
1 88 ILE 1.055 0.237 16 0 "[ . 1 . 2]"
1 89 LYS 0.524 0.237 16 0 "[ . 1 . 2]"
1 90 TYR 7.534 0.230 11 0 "[ . 1 . 2]"
1 91 LYS 3.109 0.192 8 0 "[ . 1 . 2]"
1 92 ASP 1.393 0.185 3 0 "[ . 1 . 2]"
1 93 ASN 0.155 0.109 4 0 "[ . 1 . 2]"
1 94 ASP 8.499 0.305 6 0 "[ . 1 . 2]"
1 95 GLY 0.504 0.094 19 0 "[ . 1 . 2]"
1 96 HIS 2.781 0.192 8 0 "[ . 1 . 2]"
1 97 THR 1.068 0.126 7 0 "[ . 1 . 2]"
1 98 ASP 0.308 0.106 18 0 "[ . 1 . 2]"
1 99 ALA 0.460 0.063 15 0 "[ . 1 . 2]"
1 100 ILE 1.016 0.132 2 0 "[ . 1 . 2]"
1 101 SER 1.125 0.281 8 0 "[ . 1 . 2]"
1 102 GLY 1.459 0.281 8 0 "[ . 1 . 2]"
1 103 ALA 0.622 0.147 14 0 "[ . 1 . 2]"
1 104 THR 0.038 0.038 8 0 "[ . 1 . 2]"
1 105 ILE 0.917 0.204 11 0 "[ . 1 . 2]"
1 106 LYS 5.476 0.688 5 1 "[ + 1 . 2]"
1 107 VAL 6.054 0.688 5 1 "[ + 1 . 2]"
1 108 LYS 2.029 0.156 16 0 "[ . 1 . 2]"
1 109 LYS 4.033 0.244 9 0 "[ . 1 . 2]"
1 110 PHE 8.441 0.269 8 0 "[ . 1 . 2]"
1 111 PHE 1.885 0.324 5 0 "[ . 1 . 2]"
1 112 ASP 3.464 0.300 17 0 "[ . 1 . 2]"
1 113 LEU 6.640 0.300 17 0 "[ . 1 . 2]"
1 114 ALA 0.307 0.061 15 0 "[ . 1 . 2]"
1 115 GLN 1.681 0.088 10 0 "[ . 1 . 2]"
1 116 LYS 0.949 0.148 19 0 "[ . 1 . 2]"
1 117 ALA 3.179 0.247 15 0 "[ . 1 . 2]"
1 118 LEU 8.416 0.270 15 0 "[ . 1 . 2]"
1 119 LYS 7.407 0.287 5 0 "[ . 1 . 2]"
1 120 ASP 0.088 0.072 6 0 "[ . 1 . 2]"
1 121 ALA 4.492 0.305 10 0 "[ . 1 . 2]"
1 122 GLU 1.415 0.146 16 0 "[ . 1 . 2]"
1 123 LYS 3.101 0.287 5 0 "[ . 1 . 2]"
1 124 LEU 0.298 0.096 9 0 "[ . 1 . 2]"
1 125 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET HG2 4.360 . 4.360 3.024 2.544 3.719 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET QG 3.700 . 3.700 2.595 2.370 3.496 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 1 MET HG3 4.360 . 4.360 2.956 2.442 4.258 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 2 LYS H 3.210 . 3.210 2.209 2.098 2.492 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 2 LYS HA 4.750 . 4.750 4.401 4.364 4.446 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET HA 1 2 LYS QG 5.230 . 5.230 4.056 3.257 5.097 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET HA 1 26 VAL MG1 4.980 . 4.980 4.402 3.734 4.981 0.001 10 0 "[ . 1 . 2]" 1
8 1 1 MET HA 1 29 GLY HA2 6.300 . 6.300 5.803 5.250 6.345 0.045 18 0 "[ . 1 . 2]" 1
9 1 1 MET HA 1 118 LEU MD2 5.090 . 5.090 4.284 3.427 4.917 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET HA 1 121 ALA HA 5.610 . 5.610 3.905 3.500 4.294 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET HA 1 121 ALA MB 4.420 . 4.420 1.918 1.606 2.242 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET HA 1 122 GLU H 6.300 . 6.300 6.118 5.662 6.434 0.134 5 0 "[ . 1 . 2]" 1
13 1 1 MET QB 1 2 LYS H 3.870 . 3.870 3.127 2.043 3.742 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET QB 1 2 LYS HA 5.280 . 5.280 4.323 4.023 4.703 . 0 0 "[ . 1 . 2]" 1
15 1 1 MET QB 1 3 ASP H 6.250 . 6.250 5.761 5.130 6.408 0.158 8 0 "[ . 1 . 2]" 1
16 1 1 MET QB 1 6 TYR QE 6.300 . 6.300 3.643 1.782 5.431 . 0 0 "[ . 1 . 2]" 1
17 1 1 MET QB 1 26 VAL MG1 3.810 . 3.810 2.682 2.022 3.763 . 0 0 "[ . 1 . 2]" 1
18 1 1 MET QB 1 26 VAL MG2 4.250 . 4.250 3.229 2.364 4.228 . 0 0 "[ . 1 . 2]" 1
19 1 1 MET QB 1 29 GLY H 6.300 . 6.300 5.776 5.133 6.395 0.095 10 0 "[ . 1 . 2]" 1
20 1 1 MET QB 1 118 LEU MD2 5.110 . 5.110 3.315 2.544 4.000 . 0 0 "[ . 1 . 2]" 1
21 1 1 MET QB 1 121 ALA HA 6.160 . 6.160 4.697 2.825 5.695 . 0 0 "[ . 1 . 2]" 1
22 1 1 MET QB 1 121 ALA MB 3.760 . 3.760 3.304 2.038 3.848 0.088 13 0 "[ . 1 . 2]" 1
23 1 1 MET ME 1 6 TYR QE 5.810 . 5.810 4.257 3.007 5.468 . 0 0 "[ . 1 . 2]" 1
24 1 1 MET ME 1 24 ILE MG 4.070 . 4.070 3.577 2.894 4.181 0.111 7 0 "[ . 1 . 2]" 1
25 1 1 MET ME 1 26 VAL MG1 3.230 . 3.230 2.673 2.366 3.175 . 0 0 "[ . 1 . 2]" 1
26 1 1 MET ME 1 26 VAL MG2 3.500 . 3.500 2.399 2.056 3.204 . 0 0 "[ . 1 . 2]" 1
27 1 1 MET ME 1 27 LYS H 5.720 . 5.720 5.498 5.019 5.874 0.154 8 0 "[ . 1 . 2]" 1
28 1 1 MET ME 1 30 LYS HA 4.070 . 4.070 2.971 2.271 3.645 . 0 0 "[ . 1 . 2]" 1
29 1 1 MET ME 1 31 ILE H 4.040 . 4.040 3.456 2.651 3.992 . 0 0 "[ . 1 . 2]" 1
30 1 1 MET ME 1 31 ILE HA 4.880 . 4.880 4.290 3.785 4.767 . 0 0 "[ . 1 . 2]" 1
31 1 1 MET ME 1 31 ILE MD 3.760 . 3.760 2.898 2.512 3.383 . 0 0 "[ . 1 . 2]" 1
32 1 1 MET ME 1 31 ILE QG 3.610 . 3.610 2.373 1.968 2.801 . 0 0 "[ . 1 . 2]" 1
33 1 1 MET ME 1 85 PRO HD2 5.280 . 5.280 5.140 4.390 5.359 0.079 5 0 "[ . 1 . 2]" 1
34 1 1 MET ME 1 85 PRO HD3 4.830 . 4.830 4.335 3.594 4.761 . 0 0 "[ . 1 . 2]" 1
35 1 1 MET ME 1 118 LEU MD1 4.390 . 4.390 3.292 2.611 4.059 . 0 0 "[ . 1 . 2]" 1
36 1 1 MET ME 1 118 LEU MD2 4.360 . 4.360 2.323 1.889 3.499 . 0 0 "[ . 1 . 2]" 1
37 1 1 MET ME 1 121 ALA MB 4.770 . 4.770 4.738 4.308 5.075 0.305 10 0 "[ . 1 . 2]" 1
38 1 1 MET QG 1 2 LYS H 4.480 . 4.480 3.816 2.674 4.293 . 0 0 "[ . 1 . 2]" 1
39 1 1 MET QG 1 26 VAL MG1 4.240 . 4.240 3.344 1.921 4.105 . 0 0 "[ . 1 . 2]" 1
40 1 1 MET QG 1 118 LEU MD2 4.380 . 4.380 2.185 1.651 2.977 . 0 0 "[ . 1 . 2]" 1
41 1 1 MET QG 1 121 ALA MB 4.000 . 4.000 2.893 2.022 3.938 . 0 0 "[ . 1 . 2]" 1
42 1 1 MET HG2 1 2 LYS H 5.150 . 5.150 4.191 2.829 4.814 . 0 0 "[ . 1 . 2]" 1
43 1 1 MET HG2 1 26 VAL MG2 5.090 . 5.090 3.363 2.747 3.846 . 0 0 "[ . 1 . 2]" 1
44 1 1 MET HG2 1 121 ALA MB 4.550 . 4.550 3.511 2.649 4.616 0.066 8 0 "[ . 1 . 2]" 1
45 1 1 MET HG3 1 2 LYS H 5.150 . 5.150 4.454 2.911 4.989 . 0 0 "[ . 1 . 2]" 1
46 1 1 MET HG3 1 26 VAL MG2 5.090 . 5.090 4.146 1.883 5.146 0.056 2 0 "[ . 1 . 2]" 1
47 1 1 MET HG3 1 121 ALA MB 4.550 . 4.550 3.170 2.042 4.391 . 0 0 "[ . 1 . 2]" 1
48 1 2 LYS H 1 2 LYS QB 3.040 . 3.040 2.602 2.211 3.060 0.020 8 0 "[ . 1 . 2]" 1
49 1 2 LYS H 1 2 LYS QE 5.580 . 5.580 4.192 3.166 5.125 . 0 0 "[ . 1 . 2]" 1
50 1 2 LYS H 1 2 LYS HG2 5.400 . 5.400 3.266 1.920 4.218 . 0 0 "[ . 1 . 2]" 1
51 1 2 LYS H 1 2 LYS QG 4.680 . 4.680 2.651 1.909 3.886 . 0 0 "[ . 1 . 2]" 1
52 1 2 LYS H 1 2 LYS HG3 5.400 . 5.400 3.193 2.388 4.618 . 0 0 "[ . 1 . 2]" 1
53 1 2 LYS H 1 3 ASP H 4.780 . 4.780 4.496 4.400 4.615 . 0 0 "[ . 1 . 2]" 1
54 1 2 LYS H 1 4 GLY H 5.740 . 5.740 5.646 5.348 5.867 0.127 8 0 "[ . 1 . 2]" 1
55 1 2 LYS H 1 26 VAL HB 5.510 . 5.510 5.106 4.405 5.619 0.109 1 0 "[ . 1 . 2]" 1
56 1 2 LYS H 1 26 VAL MG1 4.940 . 4.940 3.961 3.545 4.455 . 0 0 "[ . 1 . 2]" 1
57 1 2 LYS H 1 121 ALA HA 5.110 . 5.110 4.629 3.952 5.217 0.107 2 0 "[ . 1 . 2]" 1
58 1 2 LYS H 1 121 ALA MB 4.080 . 4.080 3.178 2.688 3.621 . 0 0 "[ . 1 . 2]" 1
59 1 2 LYS HA 1 2 LYS HG2 4.270 . 4.270 3.076 2.271 3.820 . 0 0 "[ . 1 . 2]" 1
60 1 2 LYS HA 1 2 LYS HG3 4.270 . 4.270 3.401 2.617 4.232 . 0 0 "[ . 1 . 2]" 1
61 1 2 LYS HA 1 3 ASP H 2.740 . 2.740 2.459 2.149 2.724 . 0 0 "[ . 1 . 2]" 1
62 1 2 LYS QB 1 2 LYS QE 3.730 . 3.730 2.663 1.799 3.658 . 0 0 "[ . 1 . 2]" 1
63 1 2 LYS QB 1 3 ASP H 4.050 . 4.050 2.480 2.070 3.163 . 0 0 "[ . 1 . 2]" 1
64 1 2 LYS QB 1 121 ALA MB 4.890 . 4.890 4.635 4.025 5.021 0.131 8 0 "[ . 1 . 2]" 1
65 1 2 LYS HB2 1 3 ASP H 4.890 . 4.890 3.211 2.280 4.238 . 0 0 "[ . 1 . 2]" 1
66 1 2 LYS HB3 1 3 ASP H 4.890 . 4.890 3.065 2.091 3.925 . 0 0 "[ . 1 . 2]" 1
67 1 2 LYS QD 1 3 ASP H 5.400 . 5.400 4.376 1.810 5.294 . 0 0 "[ . 1 . 2]" 1
68 1 2 LYS QE 1 121 ALA MB 6.300 . 6.300 4.746 3.118 6.515 0.215 14 0 "[ . 1 . 2]" 1
69 1 2 LYS QG 1 3 ASP H 4.480 . 4.480 3.688 3.015 4.072 . 0 0 "[ . 1 . 2]" 1
70 1 2 LYS HG2 1 3 ASP H 5.260 . 5.260 4.237 3.115 4.808 . 0 0 "[ . 1 . 2]" 1
71 1 2 LYS HG3 1 3 ASP H 5.260 . 5.260 4.307 3.301 5.053 . 0 0 "[ . 1 . 2]" 1
72 1 3 ASP H 1 3 ASP QB 3.210 . 3.210 2.517 2.215 2.752 . 0 0 "[ . 1 . 2]" 1
73 1 3 ASP H 1 26 VAL HB 5.680 . 5.680 5.432 4.936 5.735 0.055 6 0 "[ . 1 . 2]" 1
74 1 3 ASP H 1 26 VAL MG1 4.170 . 4.170 4.008 3.499 4.252 0.082 4 0 "[ . 1 . 2]" 1
75 1 3 ASP H 1 26 VAL MG2 6.300 . 6.300 6.184 5.853 6.420 0.120 13 0 "[ . 1 . 2]" 1
76 1 3 ASP H 1 28 ASN H 6.000 . 6.000 4.778 4.146 5.362 . 0 0 "[ . 1 . 2]" 1
77 1 3 ASP H 1 28 ASN HA 5.990 . 5.990 5.362 4.200 6.087 0.097 9 0 "[ . 1 . 2]" 1
78 1 3 ASP H 1 29 GLY H 5.300 . 5.300 4.106 3.086 5.460 0.160 17 0 "[ . 1 . 2]" 1
79 1 3 ASP H 1 29 GLY HA2 5.340 . 5.340 4.124 3.449 4.850 . 0 0 "[ . 1 . 2]" 1
80 1 3 ASP H 1 29 GLY HA3 5.960 . 5.960 5.443 4.640 6.023 0.063 5 0 "[ . 1 . 2]" 1
81 1 3 ASP HA 1 4 GLY H 3.140 . 3.140 2.077 2.021 2.131 . 0 0 "[ . 1 . 2]" 1
82 1 3 ASP HA 1 4 GLY QA 4.820 . 4.820 3.882 3.852 3.914 . 0 0 "[ . 1 . 2]" 1
83 1 3 ASP HA 1 26 VAL H 5.260 . 5.260 4.695 4.191 5.279 0.019 5 0 "[ . 1 . 2]" 1
84 1 3 ASP HA 1 26 VAL HB 4.220 . 4.220 3.161 2.516 3.639 . 0 0 "[ . 1 . 2]" 1
85 1 3 ASP HA 1 26 VAL MG1 3.570 . 3.570 2.348 1.661 3.000 . 0 0 "[ . 1 . 2]" 1
86 1 3 ASP HA 1 26 VAL MG2 4.900 . 4.900 4.535 4.004 4.952 0.052 17 0 "[ . 1 . 2]" 1
87 1 3 ASP HA 1 27 LYS H 5.100 . 5.100 4.344 4.037 4.679 . 0 0 "[ . 1 . 2]" 1
88 1 3 ASP HA 1 29 GLY H 4.800 . 4.800 3.659 2.843 4.828 0.028 17 0 "[ . 1 . 2]" 1
89 1 3 ASP QB 1 4 GLY H 3.780 . 3.780 3.451 2.951 3.885 0.105 5 0 "[ . 1 . 2]" 1
90 1 3 ASP QB 1 4 GLY HA2 5.880 . 5.880 4.470 4.059 4.976 . 0 0 "[ . 1 . 2]" 1
91 1 3 ASP QB 1 4 GLY QA 5.190 . 5.190 4.155 3.842 4.407 . 0 0 "[ . 1 . 2]" 1
92 1 3 ASP QB 1 4 GLY HA3 5.880 . 5.880 4.968 4.749 5.163 . 0 0 "[ . 1 . 2]" 1
93 1 3 ASP QB 1 26 VAL MG1 5.210 . 5.210 3.546 2.467 4.368 . 0 0 "[ . 1 . 2]" 1
94 1 3 ASP QB 1 28 ASN H 5.010 . 5.010 2.256 1.564 2.654 . 0 0 "[ . 1 . 2]" 1
95 1 3 ASP QB 1 28 ASN HB2 5.570 . 5.570 5.268 4.685 5.815 0.245 19 0 "[ . 1 . 2]" 1
96 1 3 ASP QB 1 29 GLY H 6.250 . 6.250 2.886 1.847 4.790 . 0 0 "[ . 1 . 2]" 1
97 1 4 GLY H 1 5 THR H 4.500 . 4.500 4.257 3.935 4.359 . 0 0 "[ . 1 . 2]" 1
98 1 4 GLY H 1 5 THR HA 5.790 . 5.790 4.497 4.320 4.628 . 0 0 "[ . 1 . 2]" 1
99 1 4 GLY H 1 6 TYR QE 4.160 . 4.160 3.720 3.098 4.267 0.107 9 0 "[ . 1 . 2]" 1
100 1 4 GLY H 1 25 GLU HA 5.450 . 5.450 5.032 4.312 5.474 0.024 5 0 "[ . 1 . 2]" 1
101 1 4 GLY H 1 25 GLU HG3 5.550 . 5.550 5.209 4.171 5.641 0.091 6 0 "[ . 1 . 2]" 1
102 1 4 GLY H 1 26 VAL H 3.750 . 3.750 3.305 2.939 3.696 . 0 0 "[ . 1 . 2]" 1
103 1 4 GLY H 1 26 VAL HA 6.120 . 6.120 4.593 4.306 4.909 . 0 0 "[ . 1 . 2]" 1
104 1 4 GLY H 1 26 VAL HB 3.490 . 3.490 2.532 1.759 2.938 . 0 0 "[ . 1 . 2]" 1
105 1 4 GLY H 1 26 VAL MG1 3.840 . 3.840 3.250 2.766 3.668 . 0 0 "[ . 1 . 2]" 1
106 1 4 GLY H 1 26 VAL MG2 4.250 . 4.250 4.123 3.447 4.417 0.167 19 0 "[ . 1 . 2]" 1
107 1 4 GLY H 1 27 LYS HA 5.050 . 5.050 3.945 3.420 4.503 . 0 0 "[ . 1 . 2]" 1
108 1 4 GLY QA 1 5 THR H 2.880 . 2.880 2.240 2.135 2.321 . 0 0 "[ . 1 . 2]" 1
109 1 4 GLY QA 1 5 THR HA 5.290 . 5.290 3.934 3.893 4.009 . 0 0 "[ . 1 . 2]" 1
110 1 4 GLY QA 1 5 THR HB 5.590 . 5.590 4.536 4.278 4.739 . 0 0 "[ . 1 . 2]" 1
111 1 4 GLY QA 1 6 TYR H 6.100 . 6.100 5.154 4.844 5.532 . 0 0 "[ . 1 . 2]" 1
112 1 4 GLY QA 1 6 TYR QD 6.100 . 6.100 4.600 3.697 5.193 . 0 0 "[ . 1 . 2]" 1
113 1 4 GLY QA 1 6 TYR QE 4.440 . 4.440 3.819 2.582 4.477 0.037 11 0 "[ . 1 . 2]" 1
114 1 4 GLY QA 1 25 GLU HA 6.100 . 6.100 5.299 4.780 5.616 . 0 0 "[ . 1 . 2]" 1
115 1 4 GLY QA 1 26 VAL H 5.370 . 5.370 4.396 4.086 4.581 . 0 0 "[ . 1 . 2]" 1
116 1 4 GLY HA2 1 5 THR H 3.360 . 3.360 2.676 2.288 3.144 . 0 0 "[ . 1 . 2]" 1
117 1 4 GLY HA3 1 5 THR H 3.360 . 3.360 2.502 2.172 2.896 . 0 0 "[ . 1 . 2]" 1
118 1 5 THR H 1 5 THR HB 3.380 . 3.380 2.838 2.517 3.138 . 0 0 "[ . 1 . 2]" 1
119 1 5 THR H 1 5 THR MG 4.430 . 4.430 3.899 3.806 3.999 . 0 0 "[ . 1 . 2]" 1
120 1 5 THR H 1 6 TYR H 4.550 . 4.550 4.213 3.965 4.502 . 0 0 "[ . 1 . 2]" 1
121 1 5 THR H 1 6 TYR HA 5.080 . 5.080 4.784 4.397 5.142 0.062 5 0 "[ . 1 . 2]" 1
122 1 5 THR H 1 6 TYR QD 5.510 . 5.510 4.616 3.731 5.274 . 0 0 "[ . 1 . 2]" 1
123 1 5 THR H 1 6 TYR QE 5.200 . 5.200 4.854 3.728 5.359 0.159 19 0 "[ . 1 . 2]" 1
124 1 5 THR H 1 25 GLU HA 5.880 . 5.880 5.172 4.633 5.494 . 0 0 "[ . 1 . 2]" 1
125 1 5 THR H 1 26 VAL H 5.370 . 5.370 4.919 4.664 5.141 . 0 0 "[ . 1 . 2]" 1
126 1 5 THR HA 1 5 THR MG 3.550 . 3.550 2.296 2.181 2.469 . 0 0 "[ . 1 . 2]" 1
127 1 5 THR HA 1 6 TYR H 2.980 . 2.980 2.104 1.984 2.214 . 0 0 "[ . 1 . 2]" 1
128 1 5 THR HA 1 6 TYR QD 4.340 . 4.340 3.629 2.903 4.340 . 0 0 "[ . 1 . 2]" 1
129 1 5 THR HA 1 23 THR MG 4.990 . 4.990 4.153 3.669 4.530 . 0 0 "[ . 1 . 2]" 1
130 1 5 THR HA 1 24 ILE H 5.120 . 5.120 4.928 4.398 5.205 0.085 18 0 "[ . 1 . 2]" 1
131 1 5 THR HA 1 25 GLU H 5.950 . 5.950 4.993 4.425 5.230 . 0 0 "[ . 1 . 2]" 1
132 1 5 THR HA 1 25 GLU HA 3.970 . 3.970 2.532 1.997 2.849 . 0 0 "[ . 1 . 2]" 1
133 1 5 THR HA 1 26 VAL H 4.180 . 4.180 2.984 2.461 3.395 . 0 0 "[ . 1 . 2]" 1
134 1 5 THR HB 1 6 TYR H 4.750 . 4.750 4.100 3.637 4.283 . 0 0 "[ . 1 . 2]" 1
135 1 5 THR HB 1 6 TYR HA 4.960 . 4.960 4.862 4.492 5.028 0.068 8 0 "[ . 1 . 2]" 1
136 1 5 THR HB 1 23 THR MG 4.750 . 4.750 4.016 3.075 4.501 . 0 0 "[ . 1 . 2]" 1
137 1 5 THR HB 1 25 GLU HA 5.660 . 5.660 4.942 4.449 5.540 . 0 0 "[ . 1 . 2]" 1
138 1 5 THR MG 1 6 TYR H 3.480 . 3.480 2.818 2.279 3.217 . 0 0 "[ . 1 . 2]" 1
139 1 5 THR MG 1 6 TYR QD 5.450 . 5.450 4.735 4.274 5.180 . 0 0 "[ . 1 . 2]" 1
140 1 5 THR MG 1 7 TYR H 5.090 . 5.090 4.650 3.743 5.169 0.079 3 0 "[ . 1 . 2]" 1
141 1 5 THR MG 1 23 THR MG 2.900 . 2.900 1.975 1.463 2.217 . 0 0 "[ . 1 . 2]" 1
142 1 5 THR MG 1 24 ILE H 4.450 . 4.450 3.874 3.430 4.525 0.075 13 0 "[ . 1 . 2]" 1
143 1 5 THR MG 1 25 GLU HA 4.250 . 4.250 2.652 1.824 3.801 . 0 0 "[ . 1 . 2]" 1
144 1 5 THR MG 1 25 GLU HB2 5.150 . 5.150 2.938 1.860 3.740 . 0 0 "[ . 1 . 2]" 1
145 1 5 THR MG 1 25 GLU HB3 5.130 . 5.130 4.329 3.441 5.202 0.072 18 0 "[ . 1 . 2]" 1
146 1 6 TYR H 1 6 TYR HB2 3.710 . 3.710 2.562 2.386 2.797 . 0 0 "[ . 1 . 2]" 1
147 1 6 TYR H 1 6 TYR HB3 4.080 . 4.080 3.688 3.576 3.852 . 0 0 "[ . 1 . 2]" 1
148 1 6 TYR H 1 6 TYR QD 3.580 . 3.580 2.734 2.010 3.268 . 0 0 "[ . 1 . 2]" 1
149 1 6 TYR H 1 6 TYR QE 4.970 . 4.970 4.603 4.275 4.934 . 0 0 "[ . 1 . 2]" 1
150 1 6 TYR H 1 7 TYR H 4.750 . 4.750 4.348 4.056 4.535 . 0 0 "[ . 1 . 2]" 1
151 1 6 TYR H 1 7 TYR HA 6.070 . 6.070 4.915 4.535 5.137 . 0 0 "[ . 1 . 2]" 1
152 1 6 TYR H 1 7 TYR HB3 6.250 . 6.250 5.172 4.722 5.560 . 0 0 "[ . 1 . 2]" 1
153 1 6 TYR H 1 23 THR MG 4.500 . 4.500 3.729 3.308 4.145 . 0 0 "[ . 1 . 2]" 1
154 1 6 TYR H 1 24 ILE H 3.620 . 3.620 3.295 2.958 3.663 0.043 9 0 "[ . 1 . 2]" 1
155 1 6 TYR H 1 24 ILE HB 4.420 . 4.420 3.341 2.644 3.931 . 0 0 "[ . 1 . 2]" 1
156 1 6 TYR H 1 24 ILE MD 6.220 . 6.220 5.679 5.233 6.012 . 0 0 "[ . 1 . 2]" 1
157 1 6 TYR H 1 24 ILE HG12 5.920 . 5.920 5.117 4.382 5.700 . 0 0 "[ . 1 . 2]" 1
158 1 6 TYR H 1 24 ILE MG 4.610 . 4.610 4.142 3.874 4.547 . 0 0 "[ . 1 . 2]" 1
159 1 6 TYR H 1 25 GLU H 5.480 . 5.480 4.940 4.696 5.168 . 0 0 "[ . 1 . 2]" 1
160 1 6 TYR H 1 25 GLU HA 4.040 . 4.040 3.542 2.890 4.007 . 0 0 "[ . 1 . 2]" 1
161 1 6 TYR H 1 26 VAL H 5.000 . 5.000 4.033 3.600 4.488 . 0 0 "[ . 1 . 2]" 1
162 1 6 TYR H 1 117 ALA MB 4.920 . 4.920 4.478 4.213 4.788 . 0 0 "[ . 1 . 2]" 1
163 1 6 TYR H 1 118 LEU MD1 6.300 . 6.300 5.981 5.350 6.362 0.062 16 0 "[ . 1 . 2]" 1
164 1 6 TYR H 1 118 LEU HG 6.300 . 6.300 5.712 5.182 6.183 . 0 0 "[ . 1 . 2]" 1
165 1 6 TYR HA 1 6 TYR QD 3.640 . 3.640 2.847 2.349 3.252 . 0 0 "[ . 1 . 2]" 1
166 1 6 TYR HA 1 7 TYR H 2.870 . 2.870 2.208 2.016 2.322 . 0 0 "[ . 1 . 2]" 1
167 1 6 TYR HA 1 7 TYR QD 4.750 . 4.750 4.757 4.134 5.141 0.391 20 0 "[ . 1 . 2]" 1
168 1 6 TYR HA 1 23 THR MG 4.950 . 4.950 4.686 4.103 4.963 0.013 11 0 "[ . 1 . 2]" 1
169 1 6 TYR HA 1 24 ILE H 4.990 . 4.990 4.726 4.493 4.888 . 0 0 "[ . 1 . 2]" 1
170 1 6 TYR HA 1 117 ALA MB 5.660 . 5.660 4.041 3.760 4.362 . 0 0 "[ . 1 . 2]" 1
171 1 6 TYR HA 1 123 LYS HB2 4.600 . 4.600 2.957 1.896 3.875 . 0 0 "[ . 1 . 2]" 1
172 1 6 TYR HA 1 123 LYS HB3 5.970 . 5.970 3.546 2.481 4.451 . 0 0 "[ . 1 . 2]" 1
173 1 6 TYR HB2 1 7 TYR H 4.660 . 4.660 4.134 3.646 4.451 . 0 0 "[ . 1 . 2]" 1
174 1 6 TYR HB2 1 23 THR MG 5.670 . 5.670 4.979 4.678 5.412 . 0 0 "[ . 1 . 2]" 1
175 1 6 TYR HB2 1 24 ILE H 4.450 . 4.450 3.237 2.893 3.741 . 0 0 "[ . 1 . 2]" 1
176 1 6 TYR HB2 1 24 ILE HB 4.270 . 4.270 2.238 1.906 2.919 . 0 0 "[ . 1 . 2]" 1
177 1 6 TYR HB2 1 24 ILE HG13 6.300 . 6.300 3.939 3.195 4.727 . 0 0 "[ . 1 . 2]" 1
178 1 6 TYR HB2 1 24 ILE MG 4.540 . 4.540 3.641 3.418 4.181 . 0 0 "[ . 1 . 2]" 1
179 1 6 TYR HB2 1 117 ALA MB 4.360 . 4.360 2.654 2.125 3.025 . 0 0 "[ . 1 . 2]" 1
180 1 6 TYR HB2 1 118 LEU MD1 5.410 . 5.410 4.274 3.536 4.701 . 0 0 "[ . 1 . 2]" 1
181 1 6 TYR HB2 1 118 LEU MD2 4.950 . 4.950 3.334 2.485 4.419 . 0 0 "[ . 1 . 2]" 1
182 1 6 TYR HB3 1 7 TYR H 3.870 . 3.870 3.346 2.747 3.811 . 0 0 "[ . 1 . 2]" 1
183 1 6 TYR HB3 1 24 ILE H 5.450 . 5.450 4.422 3.999 4.924 . 0 0 "[ . 1 . 2]" 1
184 1 6 TYR HB3 1 24 ILE HB 4.690 . 4.690 3.830 3.342 4.461 . 0 0 "[ . 1 . 2]" 1
185 1 6 TYR HB3 1 26 VAL MG2 5.970 . 5.970 5.201 4.717 5.772 . 0 0 "[ . 1 . 2]" 1
186 1 6 TYR HB3 1 117 ALA H 5.630 . 5.630 5.466 5.069 5.755 0.125 10 0 "[ . 1 . 2]" 1
187 1 6 TYR HB3 1 117 ALA HA 5.410 . 5.410 3.531 3.261 3.763 . 0 0 "[ . 1 . 2]" 1
188 1 6 TYR HB3 1 117 ALA MB 3.990 . 3.990 2.468 2.017 2.932 . 0 0 "[ . 1 . 2]" 1
189 1 6 TYR HB3 1 118 LEU H 5.760 . 5.760 4.638 4.061 5.101 . 0 0 "[ . 1 . 2]" 1
190 1 6 TYR HB3 1 118 LEU HA 5.720 . 5.720 3.655 3.057 4.283 . 0 0 "[ . 1 . 2]" 1
191 1 6 TYR HB3 1 118 LEU MD2 4.660 . 4.660 3.833 3.042 4.894 0.234 9 0 "[ . 1 . 2]" 1
192 1 6 TYR HB3 1 121 ALA MB 6.300 . 6.300 6.117 5.147 6.453 0.153 3 0 "[ . 1 . 2]" 1
193 1 6 TYR HB3 1 123 LYS H 6.300 . 6.300 4.757 3.967 5.661 . 0 0 "[ . 1 . 2]" 1
194 1 6 TYR QD 1 7 TYR H 5.070 . 5.070 4.342 4.087 4.799 . 0 0 "[ . 1 . 2]" 1
195 1 6 TYR QD 1 24 ILE H 5.550 . 5.550 4.668 4.079 5.252 . 0 0 "[ . 1 . 2]" 1
196 1 6 TYR QD 1 24 ILE HB 4.420 . 4.420 3.094 2.011 3.883 . 0 0 "[ . 1 . 2]" 1
197 1 6 TYR QD 1 24 ILE MG 4.650 . 4.650 3.262 2.344 4.056 . 0 0 "[ . 1 . 2]" 1
198 1 6 TYR QD 1 26 VAL H 4.740 . 4.740 3.831 2.830 4.815 0.075 13 0 "[ . 1 . 2]" 1
199 1 6 TYR QD 1 26 VAL HB 5.290 . 5.290 3.551 3.070 4.481 . 0 0 "[ . 1 . 2]" 1
200 1 6 TYR QD 1 26 VAL MG1 4.900 . 4.900 4.485 3.852 4.991 0.091 9 0 "[ . 1 . 2]" 1
201 1 6 TYR QD 1 26 VAL MG2 3.480 . 3.480 2.493 2.057 3.117 . 0 0 "[ . 1 . 2]" 1
202 1 6 TYR QD 1 117 ALA HA 5.700 . 5.700 4.922 4.195 5.620 . 0 0 "[ . 1 . 2]" 1
203 1 6 TYR QD 1 117 ALA MB 4.570 . 4.570 3.953 3.473 4.342 . 0 0 "[ . 1 . 2]" 1
204 1 6 TYR QD 1 118 LEU HA 4.280 . 4.280 3.428 2.369 4.378 0.098 5 0 "[ . 1 . 2]" 1
205 1 6 TYR QD 1 118 LEU MD1 5.430 . 5.430 4.341 2.964 4.931 . 0 0 "[ . 1 . 2]" 1
206 1 6 TYR QD 1 118 LEU MD2 4.030 . 4.030 2.745 2.151 3.239 . 0 0 "[ . 1 . 2]" 1
207 1 6 TYR QD 1 121 ALA MB 4.970 . 4.970 4.710 4.116 4.975 0.005 11 0 "[ . 1 . 2]" 1
208 1 6 TYR QE 1 26 VAL H 4.660 . 4.660 4.164 3.280 4.716 0.056 13 0 "[ . 1 . 2]" 1
209 1 6 TYR QE 1 26 VAL HA 6.300 . 6.300 5.097 4.609 5.513 . 0 0 "[ . 1 . 2]" 1
210 1 6 TYR QE 1 26 VAL HB 3.350 . 3.350 2.429 1.857 3.309 . 0 0 "[ . 1 . 2]" 1
211 1 6 TYR QE 1 26 VAL MG1 3.860 . 3.860 3.101 2.587 3.524 . 0 0 "[ . 1 . 2]" 1
212 1 6 TYR QE 1 26 VAL MG2 3.320 . 3.320 2.343 1.642 2.973 . 0 0 "[ . 1 . 2]" 1
213 1 6 TYR QE 1 117 ALA MB 6.300 . 6.300 5.639 5.233 6.084 . 0 0 "[ . 1 . 2]" 1
214 1 6 TYR QE 1 118 LEU HA 5.930 . 5.930 4.198 3.041 5.294 . 0 0 "[ . 1 . 2]" 1
215 1 6 TYR QE 1 118 LEU MD2 4.540 . 4.540 3.091 1.941 3.628 . 0 0 "[ . 1 . 2]" 1
216 1 6 TYR QE 1 121 ALA H 5.210 . 5.210 4.243 3.349 5.430 0.220 15 0 "[ . 1 . 2]" 1
217 1 6 TYR QE 1 121 ALA HA 3.840 . 3.840 2.602 1.458 3.804 . 0 0 "[ . 1 . 2]" 1
218 1 6 TYR QE 1 121 ALA MB 4.030 . 4.030 3.509 2.897 4.173 0.143 10 0 "[ . 1 . 2]" 1
219 1 6 TYR QE 1 122 GLU H 5.910 . 5.910 3.268 2.466 4.338 . 0 0 "[ . 1 . 2]" 1
220 1 6 TYR QE 1 122 GLU HA 4.380 . 4.380 3.061 1.933 4.101 . 0 0 "[ . 1 . 2]" 1
221 1 6 TYR QE 1 123 LYS H 5.610 . 5.610 2.521 1.823 3.361 . 0 0 "[ . 1 . 2]" 1
222 1 7 TYR H 1 7 TYR HB2 4.080 . 4.080 3.773 3.464 3.960 . 0 0 "[ . 1 . 2]" 1
223 1 7 TYR H 1 7 TYR HB3 3.490 . 3.490 2.681 2.284 2.991 . 0 0 "[ . 1 . 2]" 1
224 1 7 TYR H 1 7 TYR QD 4.430 . 4.430 3.028 2.388 3.527 . 0 0 "[ . 1 . 2]" 1
225 1 7 TYR H 1 8 ALA H 4.810 . 4.810 4.401 4.267 4.512 . 0 0 "[ . 1 . 2]" 1
226 1 7 TYR H 1 23 THR HA 5.040 . 5.040 4.564 4.214 4.786 . 0 0 "[ . 1 . 2]" 1
227 1 7 TYR H 1 23 THR MG 5.220 . 5.220 4.207 3.502 4.787 . 0 0 "[ . 1 . 2]" 1
228 1 7 TYR H 1 24 ILE H 5.180 . 5.180 4.722 4.557 4.835 . 0 0 "[ . 1 . 2]" 1
229 1 7 TYR H 1 117 ALA HA 4.740 . 4.740 4.292 3.630 4.785 0.045 10 0 "[ . 1 . 2]" 1
230 1 7 TYR H 1 117 ALA MB 3.910 . 3.910 3.693 3.263 3.987 0.077 8 0 "[ . 1 . 2]" 1
231 1 7 TYR HA 1 7 TYR QD 4.000 . 4.000 3.561 3.342 3.709 . 0 0 "[ . 1 . 2]" 1
232 1 7 TYR HA 1 8 ALA H 2.890 . 2.890 2.251 2.161 2.337 . 0 0 "[ . 1 . 2]" 1
233 1 7 TYR HA 1 8 ALA HA 4.990 . 4.990 4.437 4.391 4.476 . 0 0 "[ . 1 . 2]" 1
234 1 7 TYR HA 1 22 VAL H 4.920 . 4.920 4.411 4.107 4.688 . 0 0 "[ . 1 . 2]" 1
235 1 7 TYR HA 1 22 VAL MG1 6.010 . 6.010 4.861 4.648 5.101 . 0 0 "[ . 1 . 2]" 1
236 1 7 TYR HA 1 23 THR HA 4.110 . 4.110 2.198 1.885 2.476 . 0 0 "[ . 1 . 2]" 1
237 1 7 TYR HA 1 23 THR MG 4.590 . 4.590 3.245 2.608 3.677 . 0 0 "[ . 1 . 2]" 1
238 1 7 TYR HA 1 24 ILE H 4.480 . 4.480 3.181 2.888 3.470 . 0 0 "[ . 1 . 2]" 1
239 1 7 TYR HA 1 24 ILE HA 6.140 . 6.140 5.994 5.708 6.230 0.090 20 0 "[ . 1 . 2]" 1
240 1 7 TYR HA 1 117 ALA MB 4.590 . 4.590 2.939 2.670 3.324 . 0 0 "[ . 1 . 2]" 1
241 1 7 TYR HB2 1 8 ALA H 4.320 . 4.320 3.280 2.852 3.722 . 0 0 "[ . 1 . 2]" 1
242 1 7 TYR HB2 1 23 THR HA 5.460 . 5.460 2.799 2.429 3.188 . 0 0 "[ . 1 . 2]" 1
243 1 7 TYR HB2 1 23 THR HB 5.390 . 5.390 4.483 4.251 4.956 . 0 0 "[ . 1 . 2]" 1
244 1 7 TYR HB2 1 23 THR MG 4.370 . 4.370 2.493 1.833 2.932 . 0 0 "[ . 1 . 2]" 1
245 1 7 TYR HB3 1 8 ALA H 4.580 . 4.580 4.285 4.107 4.423 . 0 0 "[ . 1 . 2]" 1
246 1 7 TYR HB3 1 23 THR HA 5.570 . 5.570 3.666 3.058 4.417 . 0 0 "[ . 1 . 2]" 1
247 1 7 TYR HB3 1 24 ILE H 5.380 . 5.380 4.846 4.304 5.399 0.019 8 0 "[ . 1 . 2]" 1
248 1 7 TYR QD 1 8 ALA H 4.010 . 4.010 3.213 3.022 3.658 . 0 0 "[ . 1 . 2]" 1
249 1 7 TYR QD 1 8 ALA HA 4.940 . 4.940 4.011 3.599 4.257 . 0 0 "[ . 1 . 2]" 1
250 1 7 TYR QD 1 22 VAL H 5.290 . 5.290 4.105 3.702 4.509 . 0 0 "[ . 1 . 2]" 1
251 1 7 TYR QD 1 23 THR HA 4.450 . 4.450 4.423 4.118 4.561 0.111 16 0 "[ . 1 . 2]" 1
252 1 7 TYR QD 1 23 THR MG 4.130 . 4.130 3.990 3.482 4.215 0.085 18 0 "[ . 1 . 2]" 1
253 1 7 TYR QE 1 8 ALA H 5.040 . 5.040 4.840 4.651 5.043 0.003 6 0 "[ . 1 . 2]" 1
254 1 7 TYR QE 1 8 ALA MB 6.030 . 6.030 5.297 5.081 5.527 . 0 0 "[ . 1 . 2]" 1
255 1 7 TYR QE 1 9 GLU H 5.020 . 5.020 4.380 3.788 4.859 . 0 0 "[ . 1 . 2]" 1
256 1 7 TYR QE 1 9 GLU HB2 4.770 . 4.770 4.039 3.630 4.486 . 0 0 "[ . 1 . 2]" 1
257 1 7 TYR QE 1 9 GLU HB3 4.490 . 4.490 2.555 1.959 3.162 . 0 0 "[ . 1 . 2]" 1
258 1 7 TYR QE 1 9 GLU QG 4.730 . 4.730 3.938 2.957 4.461 . 0 0 "[ . 1 . 2]" 1
259 1 7 TYR QE 1 21 THR HA 6.280 . 6.280 4.825 4.361 5.550 . 0 0 "[ . 1 . 2]" 1
260 1 7 TYR QE 1 21 THR HB 3.970 . 3.970 3.136 2.659 3.838 . 0 0 "[ . 1 . 2]" 1
261 1 7 TYR QE 1 21 THR MG 3.990 . 3.990 2.275 1.748 3.180 . 0 0 "[ . 1 . 2]" 1
262 1 7 TYR QE 1 22 VAL H 5.580 . 5.580 5.569 5.269 5.810 0.230 15 0 "[ . 1 . 2]" 1
263 1 7 TYR QE 1 23 THR MG 5.920 . 5.920 5.675 5.242 5.947 0.027 19 0 "[ . 1 . 2]" 1
264 1 7 TYR QE 1 39 ILE MD 4.580 . 4.580 2.993 2.298 3.756 . 0 0 "[ . 1 . 2]" 1
265 1 8 ALA H 1 8 ALA MB 3.280 . 3.280 2.598 2.503 2.639 . 0 0 "[ . 1 . 2]" 1
266 1 8 ALA H 1 9 GLU HA 5.550 . 5.550 4.646 4.575 4.705 . 0 0 "[ . 1 . 2]" 1
267 1 8 ALA H 1 21 THR HA 4.860 . 4.860 4.163 3.879 4.416 . 0 0 "[ . 1 . 2]" 1
268 1 8 ALA H 1 21 THR MG 5.350 . 5.350 4.668 4.339 4.860 . 0 0 "[ . 1 . 2]" 1
269 1 8 ALA H 1 22 VAL H 3.380 . 3.380 2.803 2.636 3.027 . 0 0 "[ . 1 . 2]" 1
270 1 8 ALA H 1 22 VAL HA 5.960 . 5.960 4.912 4.775 5.035 . 0 0 "[ . 1 . 2]" 1
271 1 8 ALA H 1 22 VAL HB 4.180 . 4.180 4.113 3.888 4.298 0.118 5 0 "[ . 1 . 2]" 1
272 1 8 ALA H 1 22 VAL MG1 4.920 . 4.920 4.780 4.614 4.936 0.016 3 0 "[ . 1 . 2]" 1
273 1 8 ALA H 1 22 VAL MG2 5.120 . 5.120 4.992 4.773 5.203 0.083 5 0 "[ . 1 . 2]" 1
274 1 8 ALA H 1 23 THR HA 4.240 . 4.240 3.760 3.390 4.131 . 0 0 "[ . 1 . 2]" 1
275 1 8 ALA H 1 23 THR MG 5.490 . 5.490 4.882 4.400 5.202 . 0 0 "[ . 1 . 2]" 1
276 1 8 ALA H 1 24 ILE H 5.660 . 5.660 4.953 4.534 5.284 . 0 0 "[ . 1 . 2]" 1
277 1 8 ALA H 1 24 ILE HG12 6.070 . 6.070 5.212 4.879 5.401 . 0 0 "[ . 1 . 2]" 1
278 1 8 ALA H 1 113 LEU HB2 6.300 . 6.300 6.202 5.647 6.440 0.140 9 0 "[ . 1 . 2]" 1
279 1 8 ALA H 1 117 ALA HA 5.920 . 5.920 4.159 3.637 4.475 . 0 0 "[ . 1 . 2]" 1
280 1 8 ALA H 1 117 ALA MB 4.550 . 4.550 3.064 2.858 3.424 . 0 0 "[ . 1 . 2]" 1
281 1 8 ALA HA 1 9 GLU H 2.800 . 2.800 2.225 2.158 2.330 . 0 0 "[ . 1 . 2]" 1
282 1 8 ALA HA 1 9 GLU HA 4.710 . 4.710 4.361 4.289 4.402 . 0 0 "[ . 1 . 2]" 1
283 1 8 ALA HA 1 22 VAL H 5.950 . 5.950 4.969 4.848 5.049 . 0 0 "[ . 1 . 2]" 1
284 1 8 ALA HA 1 117 ALA H 6.300 . 6.300 5.565 5.411 5.788 . 0 0 "[ . 1 . 2]" 1
285 1 8 ALA HA 1 117 ALA MB 4.780 . 4.780 4.297 4.059 4.471 . 0 0 "[ . 1 . 2]" 1
286 1 8 ALA MB 1 9 GLU H 3.160 . 3.160 2.712 2.466 2.878 . 0 0 "[ . 1 . 2]" 1
287 1 8 ALA MB 1 9 GLU HA 5.460 . 5.460 4.093 4.006 4.162 . 0 0 "[ . 1 . 2]" 1
288 1 8 ALA MB 1 22 VAL H 4.240 . 4.240 3.572 3.326 3.734 . 0 0 "[ . 1 . 2]" 1
289 1 8 ALA MB 1 22 VAL HB 4.260 . 4.260 3.808 3.385 4.070 . 0 0 "[ . 1 . 2]" 1
290 1 8 ALA MB 1 22 VAL MG2 4.900 . 4.900 4.544 4.211 4.869 . 0 0 "[ . 1 . 2]" 1
291 1 8 ALA MB 1 113 LEU H 5.520 . 5.520 5.346 5.063 5.534 0.014 14 0 "[ . 1 . 2]" 1
292 1 8 ALA MB 1 113 LEU HA 4.220 . 4.220 3.246 2.825 3.449 . 0 0 "[ . 1 . 2]" 1
293 1 8 ALA MB 1 113 LEU HB3 4.600 . 4.600 3.056 2.851 3.321 . 0 0 "[ . 1 . 2]" 1
294 1 8 ALA MB 1 113 LEU QD 3.310 . 3.310 2.282 2.031 3.416 0.106 5 0 "[ . 1 . 2]" 1
295 1 8 ALA MB 1 113 LEU HG 4.670 . 4.670 4.164 3.609 4.577 . 0 0 "[ . 1 . 2]" 1
296 1 8 ALA MB 1 114 ALA H 5.400 . 5.400 4.918 4.688 5.097 . 0 0 "[ . 1 . 2]" 1
297 1 8 ALA MB 1 114 ALA HA 4.700 . 4.700 4.258 3.981 4.426 . 0 0 "[ . 1 . 2]" 1
298 1 8 ALA MB 1 116 LYS H 4.250 . 4.250 3.897 3.731 4.114 . 0 0 "[ . 1 . 2]" 1
299 1 8 ALA MB 1 116 LYS QB 3.700 . 3.700 2.252 2.060 2.497 . 0 0 "[ . 1 . 2]" 1
300 1 8 ALA MB 1 116 LYS QD 4.750 . 4.750 3.667 3.215 4.087 . 0 0 "[ . 1 . 2]" 1
301 1 8 ALA MB 1 116 LYS QE 4.120 . 4.120 3.023 2.361 3.570 . 0 0 "[ . 1 . 2]" 1
302 1 8 ALA MB 1 117 ALA H 3.980 . 3.980 2.839 2.723 2.975 . 0 0 "[ . 1 . 2]" 1
303 1 8 ALA MB 1 117 ALA HA 3.720 . 3.720 2.131 1.881 2.319 . 0 0 "[ . 1 . 2]" 1
304 1 9 GLU H 1 9 GLU HB2 4.240 . 4.240 3.733 3.674 3.794 . 0 0 "[ . 1 . 2]" 1
305 1 9 GLU H 1 9 GLU HB3 4.120 . 4.120 3.014 2.889 3.363 . 0 0 "[ . 1 . 2]" 1
306 1 9 GLU H 1 9 GLU HG2 4.050 . 4.050 2.341 1.858 3.725 . 0 0 "[ . 1 . 2]" 1
307 1 9 GLU H 1 9 GLU QG 3.260 . 3.260 2.218 1.846 3.001 . 0 0 "[ . 1 . 2]" 1
308 1 9 GLU H 1 9 GLU HG3 4.050 . 4.050 3.242 2.124 3.958 . 0 0 "[ . 1 . 2]" 1
309 1 9 GLU H 1 10 ALA MB 6.210 . 6.210 5.665 5.627 5.697 . 0 0 "[ . 1 . 2]" 1
310 1 9 GLU H 1 21 THR HA 5.330 . 5.330 4.813 4.670 4.999 . 0 0 "[ . 1 . 2]" 1
311 1 9 GLU H 1 21 THR HB 5.220 . 5.220 5.083 4.541 5.282 0.062 4 0 "[ . 1 . 2]" 1
312 1 9 GLU H 1 21 THR MG 4.680 . 4.680 4.102 3.929 4.329 . 0 0 "[ . 1 . 2]" 1
313 1 9 GLU H 1 113 LEU HB3 5.860 . 5.860 5.705 5.048 5.987 0.127 8 0 "[ . 1 . 2]" 1
314 1 9 GLU H 1 113 LEU QD 4.040 . 4.040 3.383 3.157 4.178 0.138 5 0 "[ . 1 . 2]" 1
315 1 9 GLU H 1 113 LEU HG 6.180 . 6.180 5.434 4.172 6.072 . 0 0 "[ . 1 . 2]" 1
316 1 9 GLU H 1 116 LYS QD 6.100 . 6.100 5.661 4.439 6.134 0.034 2 0 "[ . 1 . 2]" 1
317 1 9 GLU H 1 116 LYS QE 5.430 . 5.430 4.434 3.580 5.394 . 0 0 "[ . 1 . 2]" 1
318 1 9 GLU HA 1 10 ALA H 3.000 . 3.000 2.255 2.204 2.365 . 0 0 "[ . 1 . 2]" 1
319 1 9 GLU HA 1 10 ALA MB 4.440 . 4.440 4.030 3.940 4.129 . 0 0 "[ . 1 . 2]" 1
320 1 9 GLU HA 1 19 LYS QG 5.760 . 5.760 4.086 3.209 5.585 . 0 0 "[ . 1 . 2]" 1
321 1 9 GLU HA 1 20 ASP HB2 6.300 . 6.300 5.689 4.366 6.465 0.165 19 0 "[ . 1 . 2]" 1
322 1 9 GLU HA 1 20 ASP HB3 6.300 . 6.300 5.981 5.252 6.397 0.097 17 0 "[ . 1 . 2]" 1
323 1 9 GLU HA 1 21 THR H 5.680 . 5.680 4.721 4.539 4.930 . 0 0 "[ . 1 . 2]" 1
324 1 9 GLU HA 1 21 THR HA 3.800 . 3.800 2.439 2.201 2.595 . 0 0 "[ . 1 . 2]" 1
325 1 9 GLU HA 1 21 THR MG 3.970 . 3.970 1.983 1.586 2.354 . 0 0 "[ . 1 . 2]" 1
326 1 9 GLU HA 1 22 VAL H 4.630 . 4.630 3.958 3.718 4.115 . 0 0 "[ . 1 . 2]" 1
327 1 9 GLU HA 1 113 LEU QD 4.150 . 4.150 3.160 2.784 3.408 . 0 0 "[ . 1 . 2]" 1
328 1 9 GLU HA 1 113 LEU HG 4.330 . 4.330 3.892 2.855 4.393 0.063 13 0 "[ . 1 . 2]" 1
329 1 9 GLU HB2 1 10 ALA H 3.690 . 3.690 2.801 2.528 3.100 . 0 0 "[ . 1 . 2]" 1
330 1 9 GLU HB2 1 19 LYS HA 6.300 . 6.300 5.331 4.783 5.961 . 0 0 "[ . 1 . 2]" 1
331 1 9 GLU HB2 1 19 LYS QG 4.710 . 4.710 2.855 1.955 4.420 . 0 0 "[ . 1 . 2]" 1
332 1 9 GLU HB2 1 21 THR HA 5.400 . 5.400 4.569 4.271 4.812 . 0 0 "[ . 1 . 2]" 1
333 1 9 GLU HB2 1 21 THR MG 3.870 . 3.870 2.524 2.295 2.831 . 0 0 "[ . 1 . 2]" 1
334 1 9 GLU HB2 1 22 VAL H 6.300 . 6.300 6.285 5.975 6.449 0.149 7 0 "[ . 1 . 2]" 1
335 1 9 GLU HB2 1 39 ILE HB 5.530 . 5.530 5.063 4.565 5.429 . 0 0 "[ . 1 . 2]" 1
336 1 9 GLU HB2 1 39 ILE MD 4.340 . 4.340 2.879 2.398 3.323 . 0 0 "[ . 1 . 2]" 1
337 1 9 GLU HB3 1 10 ALA H 4.370 . 4.370 3.955 3.622 4.096 . 0 0 "[ . 1 . 2]" 1
338 1 9 GLU HB3 1 21 THR MG 3.680 . 3.680 2.184 1.712 2.574 . 0 0 "[ . 1 . 2]" 1
339 1 9 GLU HB3 1 22 VAL H 5.730 . 5.730 5.626 5.317 5.862 0.132 8 0 "[ . 1 . 2]" 1
340 1 9 GLU HB3 1 39 ILE MD 3.810 . 3.810 2.954 2.669 3.584 . 0 0 "[ . 1 . 2]" 1
341 1 9 GLU QG 1 19 LYS HB3 5.340 . 5.340 5.133 4.142 5.547 0.207 4 0 "[ . 1 . 2]" 1
342 1 9 GLU QG 1 19 LYS QD 5.180 . 5.180 2.953 2.164 5.220 0.040 15 0 "[ . 1 . 2]" 1
343 1 9 GLU QG 1 39 ILE MD 4.570 . 4.570 3.769 2.979 4.377 . 0 0 "[ . 1 . 2]" 1
344 1 9 GLU HG2 1 10 ALA H 5.090 . 5.090 4.694 3.714 5.120 0.030 12 0 "[ . 1 . 2]" 1
345 1 9 GLU HG2 1 21 THR MG 4.620 . 4.620 4.269 3.713 4.557 . 0 0 "[ . 1 . 2]" 1
346 1 9 GLU HG3 1 10 ALA H 5.090 . 5.090 4.148 3.759 5.013 . 0 0 "[ . 1 . 2]" 1
347 1 9 GLU HG3 1 21 THR MG 4.620 . 4.620 4.342 3.909 4.484 . 0 0 "[ . 1 . 2]" 1
348 1 10 ALA H 1 10 ALA MB 3.020 . 3.020 2.224 2.192 2.247 . 0 0 "[ . 1 . 2]" 1
349 1 10 ALA H 1 11 ASP H 5.030 . 5.030 4.619 4.576 4.657 . 0 0 "[ . 1 . 2]" 1
350 1 10 ALA H 1 12 ASP H 6.120 . 6.120 5.699 4.882 6.129 0.009 15 0 "[ . 1 . 2]" 1
351 1 10 ALA H 1 19 LYS QG 4.020 . 4.020 2.764 2.111 4.042 0.022 6 0 "[ . 1 . 2]" 1
352 1 10 ALA H 1 20 ASP H 4.430 . 4.430 3.713 3.348 4.188 . 0 0 "[ . 1 . 2]" 1
353 1 10 ALA H 1 20 ASP QB 4.430 . 4.430 4.122 3.258 4.650 0.220 7 0 "[ . 1 . 2]" 1
354 1 10 ALA H 1 21 THR H 5.460 . 5.460 4.998 4.782 5.218 . 0 0 "[ . 1 . 2]" 1
355 1 10 ALA H 1 21 THR HA 4.090 . 4.090 3.661 3.412 3.872 . 0 0 "[ . 1 . 2]" 1
356 1 10 ALA H 1 21 THR MG 4.270 . 4.270 3.218 2.748 3.511 . 0 0 "[ . 1 . 2]" 1
357 1 10 ALA H 1 38 ALA HA 6.300 . 6.300 5.904 5.498 6.309 0.009 10 0 "[ . 1 . 2]" 1
358 1 10 ALA H 1 113 LEU QD 3.860 . 3.860 3.127 2.782 3.394 . 0 0 "[ . 1 . 2]" 1
359 1 10 ALA H 1 113 LEU HG 4.130 . 4.130 3.656 3.303 4.182 0.052 13 0 "[ . 1 . 2]" 1
360 1 10 ALA HA 1 11 ASP H 2.900 . 2.900 2.301 2.206 2.445 . 0 0 "[ . 1 . 2]" 1
361 1 10 ALA HA 1 11 ASP QB 5.190 . 5.190 4.284 3.970 4.687 . 0 0 "[ . 1 . 2]" 1
362 1 10 ALA HA 1 12 ASP H 4.680 . 4.680 4.341 3.781 4.715 0.035 8 0 "[ . 1 . 2]" 1
363 1 10 ALA HA 1 109 LYS QD 4.970 . 4.970 4.670 3.644 5.078 0.108 13 0 "[ . 1 . 2]" 1
364 1 10 ALA HA 1 113 LEU QD 3.570 . 3.570 2.011 1.627 2.385 . 0 0 "[ . 1 . 2]" 1
365 1 10 ALA HA 1 113 LEU HG 4.800 . 4.800 3.538 2.921 4.129 . 0 0 "[ . 1 . 2]" 1
366 1 10 ALA MB 1 11 ASP H 3.160 . 3.160 2.593 2.174 2.989 . 0 0 "[ . 1 . 2]" 1
367 1 10 ALA MB 1 11 ASP QB 5.250 . 5.250 4.103 3.645 4.441 . 0 0 "[ . 1 . 2]" 1
368 1 10 ALA MB 1 12 ASP H 3.320 . 3.320 2.955 2.259 3.413 0.093 6 0 "[ . 1 . 2]" 1
369 1 10 ALA MB 1 19 LYS HA 3.950 . 3.950 2.633 2.147 3.327 . 0 0 "[ . 1 . 2]" 1
370 1 10 ALA MB 1 19 LYS QG 3.980 . 3.980 2.351 1.946 2.988 . 0 0 "[ . 1 . 2]" 1
371 1 10 ALA MB 1 20 ASP H 3.540 . 3.540 2.435 2.175 2.803 . 0 0 "[ . 1 . 2]" 1
372 1 10 ALA MB 1 20 ASP HB2 4.680 . 4.680 2.898 2.135 4.541 . 0 0 "[ . 1 . 2]" 1
373 1 10 ALA MB 1 20 ASP QB 3.790 . 3.790 2.727 2.021 3.461 . 0 0 "[ . 1 . 2]" 1
374 1 10 ALA MB 1 20 ASP HB3 4.680 . 4.680 3.981 2.033 4.421 . 0 0 "[ . 1 . 2]" 1
375 1 10 ALA MB 1 21 THR MG 4.480 . 4.480 4.332 3.911 4.563 0.083 4 0 "[ . 1 . 2]" 1
376 1 10 ALA MB 1 109 LYS QE 4.120 . 4.120 3.625 2.045 4.364 0.244 9 0 "[ . 1 . 2]" 1
377 1 10 ALA MB 1 113 LEU QD 3.830 . 3.830 2.568 2.295 2.859 . 0 0 "[ . 1 . 2]" 1
378 1 10 ALA MB 1 113 LEU HG 3.870 . 3.870 3.282 2.886 3.896 0.026 5 0 "[ . 1 . 2]" 1
379 1 11 ASP H 1 11 ASP HB2 3.840 . 3.840 2.512 2.208 2.668 . 0 0 "[ . 1 . 2]" 1
380 1 11 ASP H 1 11 ASP QB 3.030 . 3.030 2.334 2.158 2.602 . 0 0 "[ . 1 . 2]" 1
381 1 11 ASP H 1 11 ASP HB3 3.840 . 3.840 2.969 2.443 3.622 . 0 0 "[ . 1 . 2]" 1
382 1 11 ASP H 1 12 ASP H 3.240 . 3.240 2.635 2.275 2.859 . 0 0 "[ . 1 . 2]" 1
383 1 11 ASP H 1 109 LYS QD 6.020 . 6.020 5.345 4.526 6.155 0.135 6 0 "[ . 1 . 2]" 1
384 1 11 ASP H 1 113 LEU QD 4.210 . 4.210 3.472 2.857 3.942 . 0 0 "[ . 1 . 2]" 1
385 1 11 ASP HA 1 12 ASP HA 5.050 . 5.050 4.538 4.474 4.592 . 0 0 "[ . 1 . 2]" 1
386 1 11 ASP QB 1 12 ASP H 3.390 . 3.390 2.588 2.156 3.193 . 0 0 "[ . 1 . 2]" 1
387 1 12 ASP H 1 12 ASP HB2 4.120 . 4.120 3.349 2.506 3.898 . 0 0 "[ . 1 . 2]" 1
388 1 12 ASP H 1 12 ASP QB 3.490 . 3.490 2.806 2.451 3.189 . 0 0 "[ . 1 . 2]" 1
389 1 12 ASP H 1 12 ASP HB3 4.120 . 4.120 3.126 2.629 3.743 . 0 0 "[ . 1 . 2]" 1
390 1 12 ASP H 1 13 PHE H 4.690 . 4.690 4.388 4.242 4.486 . 0 0 "[ . 1 . 2]" 1
391 1 12 ASP HA 1 13 PHE H 3.130 . 3.130 2.550 2.279 2.859 . 0 0 "[ . 1 . 2]" 1
392 1 12 ASP HA 1 13 PHE HB2 5.780 . 5.780 4.891 4.658 5.134 . 0 0 "[ . 1 . 2]" 1
393 1 12 ASP HA 1 13 PHE QE 6.020 . 6.020 5.061 4.459 5.733 . 0 0 "[ . 1 . 2]" 1
394 1 12 ASP QB 1 13 PHE H 3.390 . 3.390 2.501 1.868 3.429 0.039 20 0 "[ . 1 . 2]" 1
395 1 12 ASP QB 1 13 PHE QD 5.740 . 5.740 4.513 3.657 5.371 . 0 0 "[ . 1 . 2]" 1
396 1 13 PHE H 1 13 PHE HB2 3.540 . 3.540 2.465 2.381 2.580 . 0 0 "[ . 1 . 2]" 1
397 1 13 PHE H 1 13 PHE QD 3.420 . 3.420 2.599 2.426 2.711 . 0 0 "[ . 1 . 2]" 1
398 1 13 PHE H 1 13 PHE QE 5.210 . 5.210 4.599 4.357 4.796 . 0 0 "[ . 1 . 2]" 1
399 1 13 PHE H 1 14 ASP H 5.070 . 5.070 4.557 4.460 4.624 . 0 0 "[ . 1 . 2]" 1
400 1 13 PHE HA 1 13 PHE QD 4.120 . 4.120 2.897 2.659 3.095 . 0 0 "[ . 1 . 2]" 1
401 1 13 PHE HA 1 13 PHE QE 5.230 . 5.230 4.647 4.531 4.775 . 0 0 "[ . 1 . 2]" 1
402 1 13 PHE HA 1 14 ASP H 3.000 . 3.000 2.280 2.126 2.478 . 0 0 "[ . 1 . 2]" 1
403 1 13 PHE HA 1 18 TRP H 4.970 . 4.970 4.204 3.723 4.635 . 0 0 "[ . 1 . 2]" 1
404 1 13 PHE HA 1 19 LYS HA 4.590 . 4.590 2.674 2.333 3.054 . 0 0 "[ . 1 . 2]" 1
405 1 13 PHE HA 1 19 LYS HB2 4.550 . 4.550 3.668 2.757 4.438 . 0 0 "[ . 1 . 2]" 1
406 1 13 PHE HA 1 20 ASP H 5.030 . 5.030 4.417 4.057 4.859 . 0 0 "[ . 1 . 2]" 1
407 1 13 PHE HB2 1 14 ASP H 4.270 . 4.270 3.919 3.588 4.276 0.006 15 0 "[ . 1 . 2]" 1
408 1 13 PHE HB2 1 14 ASP HA 6.300 . 6.300 5.115 4.801 5.320 . 0 0 "[ . 1 . 2]" 1
409 1 13 PHE HB2 1 17 GLY H 5.220 . 5.220 5.083 4.274 5.308 0.088 5 0 "[ . 1 . 2]" 1
410 1 13 PHE HB2 1 17 GLY QA 5.080 . 5.080 3.542 2.732 4.297 . 0 0 "[ . 1 . 2]" 1
411 1 13 PHE HB2 1 41 LYS HD2 6.120 . 6.120 3.179 2.426 4.199 . 0 0 "[ . 1 . 2]" 1
412 1 13 PHE HB2 1 41 LYS QD 5.270 . 5.270 3.135 2.411 4.100 . 0 0 "[ . 1 . 2]" 1
413 1 13 PHE HB2 1 41 LYS HD3 6.120 . 6.120 4.835 4.168 5.736 . 0 0 "[ . 1 . 2]" 1
414 1 13 PHE HB3 1 14 ASP H 3.860 . 3.860 2.803 2.412 3.445 . 0 0 "[ . 1 . 2]" 1
415 1 13 PHE HB3 1 17 GLY H 4.640 . 4.640 3.939 3.356 4.194 . 0 0 "[ . 1 . 2]" 1
416 1 13 PHE HB3 1 17 GLY HA2 5.030 . 5.030 2.489 1.831 3.207 . 0 0 "[ . 1 . 2]" 1
417 1 13 PHE HB3 1 17 GLY QA 4.320 . 4.320 2.467 1.824 3.165 . 0 0 "[ . 1 . 2]" 1
418 1 13 PHE HB3 1 17 GLY HA3 5.030 . 5.030 4.071 3.443 4.870 . 0 0 "[ . 1 . 2]" 1
419 1 13 PHE HB3 1 18 TRP H 4.020 . 4.020 3.233 2.728 3.736 . 0 0 "[ . 1 . 2]" 1
420 1 13 PHE HB3 1 41 LYS HA 6.300 . 6.300 4.990 3.972 6.266 . 0 0 "[ . 1 . 2]" 1
421 1 13 PHE HB3 1 41 LYS HB2 5.570 . 5.570 3.195 2.416 4.238 . 0 0 "[ . 1 . 2]" 1
422 1 13 PHE HB3 1 41 LYS HB3 5.760 . 5.760 4.691 3.826 5.533 . 0 0 "[ . 1 . 2]" 1
423 1 13 PHE HB3 1 41 LYS QG 6.090 . 6.090 4.135 3.154 5.527 . 0 0 "[ . 1 . 2]" 1
424 1 13 PHE QD 1 14 ASP H 4.360 . 4.360 3.790 3.613 4.184 . 0 0 "[ . 1 . 2]" 1
425 1 13 PHE QD 1 17 GLY QA 5.410 . 5.410 3.670 2.951 4.128 . 0 0 "[ . 1 . 2]" 1
426 1 13 PHE QD 1 18 TRP HA 4.410 . 4.410 2.908 2.628 3.273 . 0 0 "[ . 1 . 2]" 1
427 1 13 PHE QD 1 19 LYS H 4.000 . 4.000 2.478 2.169 2.887 . 0 0 "[ . 1 . 2]" 1
428 1 13 PHE QD 1 19 LYS HB2 4.120 . 4.120 2.903 2.353 3.453 . 0 0 "[ . 1 . 2]" 1
429 1 13 PHE QD 1 19 LYS HB3 5.830 . 5.830 4.106 3.319 4.780 . 0 0 "[ . 1 . 2]" 1
430 1 13 PHE QD 1 41 LYS HB2 5.110 . 5.110 3.073 2.621 3.512 . 0 0 "[ . 1 . 2]" 1
431 1 13 PHE QD 1 41 LYS HB3 5.660 . 5.660 4.554 4.207 4.918 . 0 0 "[ . 1 . 2]" 1
432 1 13 PHE QD 1 41 LYS QD 5.340 . 5.340 3.745 3.092 4.385 . 0 0 "[ . 1 . 2]" 1
433 1 13 PHE QE 1 18 TRP HA 5.120 . 5.120 4.156 3.817 4.565 . 0 0 "[ . 1 . 2]" 1
434 1 13 PHE QE 1 19 LYS H 4.840 . 4.840 3.205 2.828 3.451 . 0 0 "[ . 1 . 2]" 1
435 1 13 PHE QE 1 19 LYS HA 5.310 . 5.310 4.862 4.589 5.117 . 0 0 "[ . 1 . 2]" 1
436 1 13 PHE QE 1 19 LYS HB2 4.440 . 4.440 2.825 2.482 3.158 . 0 0 "[ . 1 . 2]" 1
437 1 13 PHE QE 1 19 LYS HB3 4.540 . 4.540 3.767 3.080 4.684 0.144 1 0 "[ . 1 . 2]" 1
438 1 13 PHE QE 1 19 LYS QG 5.160 . 5.160 4.046 3.050 4.720 . 0 0 "[ . 1 . 2]" 1
439 1 13 PHE QE 1 39 ILE HB 5.130 . 5.130 2.944 2.615 3.355 . 0 0 "[ . 1 . 2]" 1
440 1 13 PHE QE 1 39 ILE MD 4.430 . 4.430 4.380 4.152 4.536 0.106 20 0 "[ . 1 . 2]" 1
441 1 13 PHE QE 1 39 ILE HG13 5.580 . 5.580 5.339 5.036 5.627 0.047 9 0 "[ . 1 . 2]" 1
442 1 13 PHE QE 1 39 ILE MG 4.150 . 4.150 3.152 2.511 3.953 . 0 0 "[ . 1 . 2]" 1
443 1 13 PHE QE 1 40 ASN HA 6.300 . 6.300 4.058 3.439 4.616 . 0 0 "[ . 1 . 2]" 1
444 1 13 PHE QE 1 41 LYS H 5.630 . 5.630 3.886 3.479 4.274 . 0 0 "[ . 1 . 2]" 1
445 1 13 PHE QE 1 41 LYS HA 3.960 . 3.960 2.948 2.663 3.312 . 0 0 "[ . 1 . 2]" 1
446 1 13 PHE QE 1 41 LYS HB2 5.200 . 5.200 3.822 3.175 4.551 . 0 0 "[ . 1 . 2]" 1
447 1 13 PHE QE 1 41 LYS HB3 6.270 . 6.270 5.013 4.619 5.381 . 0 0 "[ . 1 . 2]" 1
448 1 13 PHE QE 1 41 LYS QD 6.100 . 6.100 4.797 4.101 5.527 . 0 0 "[ . 1 . 2]" 1
449 1 13 PHE QE 1 41 LYS QG 4.690 . 4.690 3.499 3.036 3.830 . 0 0 "[ . 1 . 2]" 1
450 1 13 PHE HZ 1 39 ILE MD 4.950 . 4.950 4.939 4.721 5.046 0.096 9 0 "[ . 1 . 2]" 1
451 1 13 PHE HZ 1 39 ILE MG 5.200 . 5.200 3.955 3.298 4.835 . 0 0 "[ . 1 . 2]" 1
452 1 13 PHE HZ 1 41 LYS HA 4.400 . 4.400 3.320 2.887 3.650 . 0 0 "[ . 1 . 2]" 1
453 1 14 ASP H 1 14 ASP HB2 4.060 . 4.060 2.588 2.158 3.669 . 0 0 "[ . 1 . 2]" 1
454 1 14 ASP H 1 14 ASP QB 3.430 . 3.430 2.262 2.137 2.466 . 0 0 "[ . 1 . 2]" 1
455 1 14 ASP H 1 14 ASP HB3 4.060 . 4.060 2.868 2.311 3.583 . 0 0 "[ . 1 . 2]" 1
456 1 14 ASP H 1 15 GLU H 5.050 . 5.050 4.463 4.183 4.587 . 0 0 "[ . 1 . 2]" 1
457 1 14 ASP H 1 16 SER H 5.400 . 5.400 4.937 4.408 5.245 . 0 0 "[ . 1 . 2]" 1
458 1 14 ASP H 1 17 GLY H 4.700 . 4.700 3.917 3.318 4.339 . 0 0 "[ . 1 . 2]" 1
459 1 14 ASP H 1 17 GLY QA 5.020 . 5.020 3.960 3.433 4.547 . 0 0 "[ . 1 . 2]" 1
460 1 14 ASP H 1 18 TRP H 3.650 . 3.650 2.613 2.046 3.037 . 0 0 "[ . 1 . 2]" 1
461 1 14 ASP H 1 18 TRP HA 5.130 . 5.130 4.409 4.097 4.637 . 0 0 "[ . 1 . 2]" 1
462 1 14 ASP H 1 18 TRP HB2 5.080 . 5.080 4.166 3.634 4.599 . 0 0 "[ . 1 . 2]" 1
463 1 14 ASP H 1 19 LYS H 5.090 . 5.090 4.499 4.194 4.854 . 0 0 "[ . 1 . 2]" 1
464 1 14 ASP H 1 19 LYS HB2 5.590 . 5.590 5.179 4.492 5.773 0.183 12 0 "[ . 1 . 2]" 1
465 1 14 ASP H 1 20 ASP H 5.920 . 5.920 4.440 3.961 5.428 . 0 0 "[ . 1 . 2]" 1
466 1 14 ASP HA 1 15 GLU H 3.500 . 3.500 2.707 2.240 3.073 . 0 0 "[ . 1 . 2]" 1
467 1 14 ASP HA 1 15 GLU QB 6.100 . 6.100 4.828 4.261 5.139 . 0 0 "[ . 1 . 2]" 1
468 1 14 ASP QB 1 15 GLU H 3.130 . 3.130 2.443 1.602 3.116 . 0 0 "[ . 1 . 2]" 1
469 1 14 ASP QB 1 15 GLU QB 5.720 . 5.720 4.162 3.570 4.602 . 0 0 "[ . 1 . 2]" 1
470 1 14 ASP QB 1 15 GLU QG 5.620 . 5.620 4.096 2.982 5.773 0.153 11 0 "[ . 1 . 2]" 1
471 1 14 ASP QB 1 16 SER H 4.460 . 4.460 3.158 2.594 4.535 0.075 15 0 "[ . 1 . 2]" 1
472 1 14 ASP QB 1 17 GLY H 6.000 . 6.000 3.673 2.409 4.903 . 0 0 "[ . 1 . 2]" 1
473 1 14 ASP HB2 1 15 GLU H 3.860 . 3.860 3.364 2.231 3.954 0.094 15 0 "[ . 1 . 2]" 1
474 1 14 ASP HB3 1 15 GLU H 3.860 . 3.860 2.762 1.610 3.914 0.054 20 0 "[ . 1 . 2]" 1
475 1 15 GLU H 1 15 GLU HB2 4.200 . 4.200 2.616 2.421 3.598 . 0 0 "[ . 1 . 2]" 1
476 1 15 GLU H 1 15 GLU QB 3.640 . 3.640 2.497 2.194 3.184 . 0 0 "[ . 1 . 2]" 1
477 1 15 GLU H 1 15 GLU HB3 4.200 . 4.200 3.453 2.503 3.895 . 0 0 "[ . 1 . 2]" 1
478 1 15 GLU H 1 15 GLU HG2 4.620 . 4.620 2.738 1.869 4.469 . 0 0 "[ . 1 . 2]" 1
479 1 15 GLU H 1 15 GLU QG 4.010 . 4.010 2.309 1.861 3.992 . 0 0 "[ . 1 . 2]" 1
480 1 15 GLU H 1 15 GLU HG3 4.620 . 4.620 3.244 2.113 4.493 . 0 0 "[ . 1 . 2]" 1
481 1 15 GLU H 1 16 SER H 3.790 . 3.790 2.768 2.459 4.080 0.290 15 0 "[ . 1 . 2]" 1
482 1 15 GLU H 1 17 GLY H 4.960 . 4.960 3.967 3.652 4.351 . 0 0 "[ . 1 . 2]" 1
483 1 15 GLU H 1 18 TRP H 5.650 . 5.650 4.911 4.634 5.230 . 0 0 "[ . 1 . 2]" 1
484 1 15 GLU HA 1 16 SER H 3.660 . 3.660 3.526 3.450 3.610 . 0 0 "[ . 1 . 2]" 1
485 1 15 GLU HA 1 17 GLY H 4.160 . 4.160 3.801 3.480 4.278 0.118 15 0 "[ . 1 . 2]" 1
486 1 15 GLU HA 1 18 TRP H 6.300 . 6.300 5.762 5.475 6.083 . 0 0 "[ . 1 . 2]" 1
487 1 15 GLU QB 1 16 SER H 4.370 . 4.370 2.729 1.903 3.755 . 0 0 "[ . 1 . 2]" 1
488 1 15 GLU QB 1 16 SER HA 6.100 . 6.100 4.060 3.865 4.484 . 0 0 "[ . 1 . 2]" 1
489 1 15 GLU HB2 1 16 SER H 5.250 . 5.250 2.919 1.941 4.122 . 0 0 "[ . 1 . 2]" 1
490 1 15 GLU HB3 1 16 SER H 5.250 . 5.250 3.684 2.741 4.406 . 0 0 "[ . 1 . 2]" 1
491 1 15 GLU QG 1 16 SER H 4.410 . 4.410 3.982 2.832 4.309 . 0 0 "[ . 1 . 2]" 1
492 1 16 SER H 1 16 SER HB2 4.300 . 4.300 2.877 2.451 3.665 . 0 0 "[ . 1 . 2]" 1
493 1 16 SER H 1 16 SER QB 3.780 . 3.780 2.576 2.312 2.914 . 0 0 "[ . 1 . 2]" 1
494 1 16 SER H 1 16 SER HB3 4.300 . 4.300 3.324 2.485 3.714 . 0 0 "[ . 1 . 2]" 1
495 1 16 SER H 1 17 GLY H 3.170 . 3.170 2.509 2.324 2.644 . 0 0 "[ . 1 . 2]" 1
496 1 16 SER H 1 17 GLY HA2 6.030 . 6.030 4.812 4.623 4.957 . 0 0 "[ . 1 . 2]" 1
497 1 16 SER H 1 17 GLY QA 5.220 . 5.220 4.412 4.257 4.531 . 0 0 "[ . 1 . 2]" 1
498 1 16 SER H 1 17 GLY HA3 6.030 . 6.030 5.129 4.980 5.243 . 0 0 "[ . 1 . 2]" 1
499 1 16 SER H 1 18 TRP H 4.060 . 4.060 3.825 3.351 4.101 0.041 12 0 "[ . 1 . 2]" 1
500 1 16 SER H 1 18 TRP HD1 5.830 . 5.830 4.114 3.288 4.739 . 0 0 "[ . 1 . 2]" 1
501 1 16 SER HA 1 18 TRP HD1 5.000 . 5.000 4.490 4.074 5.109 0.109 16 0 "[ . 1 . 2]" 1
502 1 16 SER QB 1 18 TRP HB2 5.510 . 5.510 4.129 3.341 5.231 . 0 0 "[ . 1 . 2]" 1
503 1 16 SER QB 1 18 TRP HD1 3.580 . 3.580 2.275 1.755 3.010 . 0 0 "[ . 1 . 2]" 1
504 1 16 SER QB 1 18 TRP HE1 4.770 . 4.770 3.306 2.649 3.984 . 0 0 "[ . 1 . 2]" 1
505 1 16 SER QB 1 59 VAL H 5.290 . 5.290 3.669 3.293 4.094 . 0 0 "[ . 1 . 2]" 1
506 1 16 SER QB 1 59 VAL HA 5.870 . 5.870 5.963 5.574 6.152 0.282 5 0 "[ . 1 . 2]" 1
507 1 16 SER QB 1 60 GLU H 5.160 . 5.160 3.296 2.819 3.822 . 0 0 "[ . 1 . 2]" 1
508 1 16 SER HB2 1 18 TRP H 6.300 . 6.300 4.483 3.282 5.895 . 0 0 "[ . 1 . 2]" 1
509 1 16 SER HB2 1 18 TRP HD1 4.090 . 4.090 2.501 1.776 3.836 . 0 0 "[ . 1 . 2]" 1
510 1 16 SER HB3 1 18 TRP H 6.300 . 6.300 5.251 4.063 5.997 . 0 0 "[ . 1 . 2]" 1
511 1 16 SER HB3 1 18 TRP HD1 4.090 . 4.090 3.154 1.950 4.152 0.062 12 0 "[ . 1 . 2]" 1
512 1 17 GLY QA 1 41 LYS H 4.430 . 4.430 3.367 2.991 3.740 . 0 0 "[ . 1 . 2]" 1
513 1 17 GLY QA 1 41 LYS QD 4.080 . 4.080 2.692 2.019 3.613 . 0 0 "[ . 1 . 2]" 1
514 1 17 GLY QA 1 41 LYS QE 5.400 . 5.400 4.471 3.576 5.487 0.087 1 0 "[ . 1 . 2]" 1
515 1 17 GLY QA 1 41 LYS QG 6.010 . 6.010 3.949 3.344 4.840 . 0 0 "[ . 1 . 2]" 1
516 1 17 GLY QA 1 59 VAL MG1 4.980 . 4.980 2.558 1.948 3.378 . 0 0 "[ . 1 . 2]" 1
517 1 17 GLY QA 1 59 VAL MG2 5.170 . 5.170 2.276 1.915 2.905 . 0 0 "[ . 1 . 2]" 1
518 1 17 GLY HA2 1 41 LYS H 5.260 . 5.260 4.152 3.647 4.591 . 0 0 "[ . 1 . 2]" 1
519 1 17 GLY HA2 1 41 LYS HB2 5.370 . 5.370 2.897 2.176 3.890 . 0 0 "[ . 1 . 2]" 1
520 1 17 GLY HA2 1 41 LYS HB3 5.390 . 5.390 3.560 2.466 4.333 . 0 0 "[ . 1 . 2]" 1
521 1 17 GLY HA2 1 59 VAL MG1 5.850 . 5.850 3.892 3.226 4.894 . 0 0 "[ . 1 . 2]" 1
522 1 17 GLY HA2 1 59 VAL MG2 6.050 . 6.050 3.201 2.907 4.041 . 0 0 "[ . 1 . 2]" 1
523 1 17 GLY HA3 1 41 LYS H 5.260 . 5.260 3.569 3.090 3.963 . 0 0 "[ . 1 . 2]" 1
524 1 17 GLY HA3 1 41 LYS HB2 5.370 . 5.370 3.166 2.073 4.011 . 0 0 "[ . 1 . 2]" 1
525 1 17 GLY HA3 1 41 LYS HB3 5.390 . 5.390 3.046 2.497 3.782 . 0 0 "[ . 1 . 2]" 1
526 1 17 GLY HA3 1 59 VAL MG1 5.850 . 5.850 2.596 1.964 3.443 . 0 0 "[ . 1 . 2]" 1
527 1 17 GLY HA3 1 59 VAL MG2 6.050 . 6.050 2.335 1.941 2.978 . 0 0 "[ . 1 . 2]" 1
528 1 18 TRP H 1 18 TRP HB2 3.510 . 3.510 2.648 2.505 2.783 . 0 0 "[ . 1 . 2]" 1
529 1 18 TRP H 1 18 TRP HD1 4.290 . 4.290 3.427 2.907 3.913 . 0 0 "[ . 1 . 2]" 1
530 1 18 TRP H 1 18 TRP HE1 6.300 . 6.300 5.624 5.320 5.921 . 0 0 "[ . 1 . 2]" 1
531 1 18 TRP H 1 19 LYS H 4.950 . 4.950 4.237 4.090 4.428 . 0 0 "[ . 1 . 2]" 1
532 1 18 TRP H 1 59 VAL MG2 6.200 . 6.200 4.796 4.456 5.358 . 0 0 "[ . 1 . 2]" 1
533 1 18 TRP HA 1 19 LYS H 3.130 . 3.130 2.126 2.051 2.202 . 0 0 "[ . 1 . 2]" 1
534 1 18 TRP HA 1 19 LYS HB3 5.530 . 5.530 4.911 4.438 5.547 0.017 15 0 "[ . 1 . 2]" 1
535 1 18 TRP HA 1 38 ALA MB 4.600 . 4.600 3.546 3.217 3.963 . 0 0 "[ . 1 . 2]" 1
536 1 18 TRP HA 1 39 ILE H 4.690 . 4.690 4.000 3.550 4.446 . 0 0 "[ . 1 . 2]" 1
537 1 18 TRP HA 1 40 ASN H 5.710 . 5.710 4.854 4.461 5.139 . 0 0 "[ . 1 . 2]" 1
538 1 18 TRP HA 1 40 ASN QD 5.320 . 5.320 4.245 3.206 5.473 0.153 17 0 "[ . 1 . 2]" 1
539 1 18 TRP HA 1 41 LYS H 4.570 . 4.570 3.619 3.178 3.915 . 0 0 "[ . 1 . 2]" 1
540 1 18 TRP HB2 1 18 TRP HD1 3.890 . 3.890 2.639 2.549 2.834 . 0 0 "[ . 1 . 2]" 1
541 1 18 TRP HB2 1 18 TRP HE1 5.460 . 5.460 4.777 4.731 4.838 . 0 0 "[ . 1 . 2]" 1
542 1 18 TRP HB2 1 19 LYS H 4.870 . 4.870 4.263 3.901 4.403 . 0 0 "[ . 1 . 2]" 1
543 1 18 TRP HB2 1 38 ALA MB 4.990 . 4.990 3.414 2.996 4.015 . 0 0 "[ . 1 . 2]" 1
544 1 18 TRP HB2 1 39 ILE H 6.300 . 6.300 5.511 4.919 6.019 . 0 0 "[ . 1 . 2]" 1
545 1 18 TRP HB3 1 19 LYS H 4.290 . 4.290 3.342 2.732 3.619 . 0 0 "[ . 1 . 2]" 1
546 1 18 TRP HB3 1 38 ALA MB 4.230 . 4.230 1.969 1.660 2.487 . 0 0 "[ . 1 . 2]" 1
547 1 18 TRP HB3 1 39 ILE H 4.890 . 4.890 3.929 3.296 4.455 . 0 0 "[ . 1 . 2]" 1
548 1 18 TRP HD1 1 56 TYR QE 5.860 . 5.860 5.416 4.553 5.954 0.094 19 0 "[ . 1 . 2]" 1
549 1 18 TRP HE1 1 38 ALA MB 6.300 . 6.300 5.598 5.252 5.946 . 0 0 "[ . 1 . 2]" 1
550 1 18 TRP HE1 1 40 ASN HD21 5.480 . 5.480 4.009 3.002 4.961 . 0 0 "[ . 1 . 2]" 1
551 1 18 TRP HE1 1 40 ASN QD 4.760 . 4.760 3.684 2.876 4.629 . 0 0 "[ . 1 . 2]" 1
552 1 18 TRP HE1 1 40 ASN HD22 5.480 . 5.480 4.371 3.544 5.540 0.060 10 0 "[ . 1 . 2]" 1
553 1 18 TRP HE1 1 50 LEU MD1 6.300 . 6.300 5.577 4.970 5.932 . 0 0 "[ . 1 . 2]" 1
554 1 18 TRP HE1 1 56 TYR QD 4.870 . 4.870 4.746 3.850 5.112 0.242 3 0 "[ . 1 . 2]" 1
555 1 18 TRP HE1 1 56 TYR QE 3.890 . 3.890 3.531 2.827 4.045 0.155 17 0 "[ . 1 . 2]" 1
556 1 18 TRP HE1 1 60 GLU H 6.300 . 6.300 5.413 4.853 6.354 0.054 5 0 "[ . 1 . 2]" 1
557 1 18 TRP HZ2 1 40 ASN HD21 5.110 . 5.110 3.345 2.797 4.170 . 0 0 "[ . 1 . 2]" 1
558 1 18 TRP HZ2 1 40 ASN QD 4.430 . 4.430 3.165 2.737 3.823 . 0 0 "[ . 1 . 2]" 1
559 1 18 TRP HZ2 1 40 ASN HD22 5.110 . 5.110 3.999 3.220 4.657 . 0 0 "[ . 1 . 2]" 1
560 1 18 TRP HZ2 1 47 LYS QE 5.310 . 5.310 4.499 3.032 5.545 0.235 16 0 "[ . 1 . 2]" 1
561 1 18 TRP HZ2 1 50 LEU HB2 6.050 . 6.050 5.144 4.275 6.051 0.001 8 0 "[ . 1 . 2]" 1
562 1 18 TRP HZ2 1 50 LEU QB 5.300 . 5.300 4.602 3.806 5.251 . 0 0 "[ . 1 . 2]" 1
563 1 18 TRP HZ2 1 50 LEU HB3 6.050 . 6.050 5.203 4.270 5.765 . 0 0 "[ . 1 . 2]" 1
564 1 18 TRP HZ2 1 50 LEU MD1 3.920 . 3.920 3.482 2.781 3.892 . 0 0 "[ . 1 . 2]" 1
565 1 18 TRP HZ2 1 56 TYR QB 5.440 . 5.440 4.722 4.253 5.273 . 0 0 "[ . 1 . 2]" 1
566 1 18 TRP HZ2 1 56 TYR QD 4.500 . 4.500 2.793 1.951 3.843 . 0 0 "[ . 1 . 2]" 1
567 1 18 TRP HZ2 1 56 TYR QE 4.150 . 4.150 2.824 1.974 3.767 . 0 0 "[ . 1 . 2]" 1
568 1 19 LYS H 1 19 LYS HB2 4.010 . 4.010 2.498 2.058 2.830 . 0 0 "[ . 1 . 2]" 1
569 1 19 LYS H 1 19 LYS HB3 3.780 . 3.780 2.816 2.424 3.453 . 0 0 "[ . 1 . 2]" 1
570 1 19 LYS H 1 19 LYS QE 4.940 . 4.940 4.745 4.565 5.130 0.190 17 0 "[ . 1 . 2]" 1
571 1 19 LYS H 1 19 LYS QG 4.970 . 4.970 3.696 2.913 4.059 . 0 0 "[ . 1 . 2]" 1
572 1 19 LYS H 1 20 ASP H 5.060 . 5.060 4.256 4.042 4.525 . 0 0 "[ . 1 . 2]" 1
573 1 19 LYS H 1 21 THR MG 5.240 . 5.240 4.977 4.811 5.189 . 0 0 "[ . 1 . 2]" 1
574 1 19 LYS H 1 38 ALA MB 4.090 . 4.090 3.435 3.092 3.920 . 0 0 "[ . 1 . 2]" 1
575 1 19 LYS H 1 39 ILE H 3.840 . 3.840 2.668 2.251 3.143 . 0 0 "[ . 1 . 2]" 1
576 1 19 LYS H 1 39 ILE HB 4.870 . 4.870 3.266 3.053 3.544 . 0 0 "[ . 1 . 2]" 1
577 1 19 LYS H 1 39 ILE HG13 4.640 . 4.640 4.500 4.249 4.728 0.088 5 0 "[ . 1 . 2]" 1
578 1 19 LYS H 1 41 LYS H 5.270 . 5.270 4.732 4.418 4.966 . 0 0 "[ . 1 . 2]" 1
579 1 19 LYS HA 1 20 ASP H 3.200 . 3.200 2.171 2.111 2.274 . 0 0 "[ . 1 . 2]" 1
580 1 19 LYS HA 1 21 THR H 6.300 . 6.300 5.970 5.930 6.027 . 0 0 "[ . 1 . 2]" 1
581 1 19 LYS HA 1 21 THR MG 4.880 . 4.880 4.876 4.646 5.049 0.169 19 0 "[ . 1 . 2]" 1
582 1 19 LYS HA 1 38 ALA MB 5.470 . 5.470 4.590 4.309 5.011 . 0 0 "[ . 1 . 2]" 1
583 1 19 LYS HA 1 39 ILE H 4.820 . 4.820 4.366 4.196 4.501 . 0 0 "[ . 1 . 2]" 1
584 1 19 LYS HA 1 39 ILE MD 5.740 . 5.740 5.299 5.032 5.609 . 0 0 "[ . 1 . 2]" 1
585 1 19 LYS HB2 1 20 ASP H 5.650 . 5.650 4.482 4.315 4.617 . 0 0 "[ . 1 . 2]" 1
586 1 19 LYS HB3 1 20 ASP H 5.060 . 5.060 4.165 3.505 4.438 . 0 0 "[ . 1 . 2]" 1
587 1 19 LYS HB3 1 39 ILE H 4.540 . 4.540 2.978 2.421 3.611 . 0 0 "[ . 1 . 2]" 1
588 1 19 LYS HB3 1 39 ILE HB 4.600 . 4.600 2.534 1.844 3.516 . 0 0 "[ . 1 . 2]" 1
589 1 19 LYS HB3 1 39 ILE HG13 4.270 . 4.270 3.232 2.832 3.583 . 0 0 "[ . 1 . 2]" 1
590 1 19 LYS QD 1 21 THR MG 5.250 . 5.250 3.930 3.276 5.374 0.124 15 0 "[ . 1 . 2]" 1
591 1 19 LYS QG 1 20 ASP H 4.730 . 4.730 3.553 2.977 4.251 . 0 0 "[ . 1 . 2]" 1
592 1 20 ASP H 1 20 ASP HB2 4.000 . 4.000 2.514 2.225 3.576 . 0 0 "[ . 1 . 2]" 1
593 1 20 ASP H 1 20 ASP QB 3.330 . 3.330 2.384 2.181 2.653 . 0 0 "[ . 1 . 2]" 1
594 1 20 ASP H 1 20 ASP HB3 4.000 . 4.000 3.441 2.288 3.647 . 0 0 "[ . 1 . 2]" 1
595 1 20 ASP H 1 21 THR H 5.320 . 5.320 4.529 4.473 4.564 . 0 0 "[ . 1 . 2]" 1
596 1 20 ASP H 1 21 THR MG 5.690 . 5.690 4.522 4.369 4.595 . 0 0 "[ . 1 . 2]" 1
597 1 20 ASP H 1 38 ALA MB 5.060 . 5.060 4.151 3.735 4.978 . 0 0 "[ . 1 . 2]" 1
598 1 20 ASP H 1 39 ILE H 5.260 . 5.260 4.798 4.502 5.107 . 0 0 "[ . 1 . 2]" 1
599 1 20 ASP H 1 109 LYS QD 5.720 . 5.720 4.387 3.330 5.714 . 0 0 "[ . 1 . 2]" 1
600 1 20 ASP H 1 113 LEU HG 6.300 . 6.300 5.299 4.798 5.914 . 0 0 "[ . 1 . 2]" 1
601 1 20 ASP HA 1 21 THR H 3.030 . 3.030 2.128 2.045 2.202 . 0 0 "[ . 1 . 2]" 1
602 1 20 ASP HA 1 21 THR MG 4.880 . 4.880 3.569 3.275 3.859 . 0 0 "[ . 1 . 2]" 1
603 1 20 ASP HA 1 38 ALA HA 4.020 . 4.020 2.806 2.314 3.484 . 0 0 "[ . 1 . 2]" 1
604 1 20 ASP HA 1 38 ALA MB 3.590 . 3.590 2.548 2.052 3.544 . 0 0 "[ . 1 . 2]" 1
605 1 20 ASP HA 1 39 ILE H 4.630 . 4.630 4.069 3.677 4.676 0.046 12 0 "[ . 1 . 2]" 1
606 1 20 ASP HA 1 68 TRP HE1 4.880 . 4.880 4.611 3.957 5.000 0.120 8 0 "[ . 1 . 2]" 1
607 1 20 ASP QB 1 21 THR H 3.720 . 3.720 3.156 3.042 3.732 0.012 19 0 "[ . 1 . 2]" 1
608 1 20 ASP QB 1 22 VAL MG2 4.860 . 4.860 3.709 3.093 4.216 . 0 0 "[ . 1 . 2]" 1
609 1 20 ASP QB 1 38 ALA MB 5.920 . 5.920 3.989 3.224 5.085 . 0 0 "[ . 1 . 2]" 1
610 1 20 ASP QB 1 68 TRP HD1 4.830 . 4.830 2.491 2.056 4.614 . 0 0 "[ . 1 . 2]" 1
611 1 20 ASP QB 1 68 TRP HE1 3.650 . 3.650 2.318 1.867 3.499 . 0 0 "[ . 1 . 2]" 1
612 1 20 ASP QB 1 68 TRP HZ2 5.060 . 5.060 4.547 4.155 4.818 . 0 0 "[ . 1 . 2]" 1
613 1 20 ASP QB 1 109 LYS HB3 5.630 . 5.630 4.476 3.781 5.174 . 0 0 "[ . 1 . 2]" 1
614 1 20 ASP QB 1 109 LYS QD 4.680 . 4.680 3.114 1.953 4.601 . 0 0 "[ . 1 . 2]" 1
615 1 20 ASP QB 1 109 LYS HG2 4.560 . 4.560 2.895 1.976 3.714 . 0 0 "[ . 1 . 2]" 1
616 1 20 ASP QB 1 113 LEU HG 4.240 . 4.240 3.643 2.320 4.301 0.061 5 0 "[ . 1 . 2]" 1
617 1 20 ASP HB2 1 21 THR H 4.600 . 4.600 4.118 3.174 4.316 . 0 0 "[ . 1 . 2]" 1
618 1 20 ASP HB2 1 109 LYS HG2 5.250 . 5.250 3.139 2.079 4.359 . 0 0 "[ . 1 . 2]" 1
619 1 20 ASP HB2 1 113 LEU QD 5.520 . 5.520 3.716 2.469 4.753 . 0 0 "[ . 1 . 2]" 1
620 1 20 ASP HB2 1 113 LEU HG 5.010 . 5.010 4.011 2.371 4.919 . 0 0 "[ . 1 . 2]" 1
621 1 20 ASP HB3 1 21 THR H 4.600 . 4.600 3.340 3.122 4.329 . 0 0 "[ . 1 . 2]" 1
622 1 20 ASP HB3 1 109 LYS HG2 5.250 . 5.250 3.459 2.469 4.109 . 0 0 "[ . 1 . 2]" 1
623 1 20 ASP HB3 1 113 LEU QD 5.520 . 5.520 4.184 2.595 4.798 . 0 0 "[ . 1 . 2]" 1
624 1 20 ASP HB3 1 113 LEU HG 5.010 . 5.010 4.359 3.290 5.019 0.009 7 0 "[ . 1 . 2]" 1
625 1 21 THR H 1 21 THR MG 3.750 . 3.750 2.762 2.486 2.991 . 0 0 "[ . 1 . 2]" 1
626 1 21 THR H 1 22 VAL H 4.730 . 4.730 4.360 4.256 4.439 . 0 0 "[ . 1 . 2]" 1
627 1 21 THR H 1 22 VAL MG2 5.060 . 5.060 4.210 3.922 4.414 . 0 0 "[ . 1 . 2]" 1
628 1 21 THR H 1 37 ASN QB 5.220 . 5.220 4.227 3.903 4.728 . 0 0 "[ . 1 . 2]" 1
629 1 21 THR H 1 38 ALA H 5.550 . 5.550 4.672 4.403 5.166 . 0 0 "[ . 1 . 2]" 1
630 1 21 THR H 1 38 ALA HA 3.660 . 3.660 2.703 2.489 3.157 . 0 0 "[ . 1 . 2]" 1
631 1 21 THR H 1 38 ALA MB 3.950 . 3.950 3.308 2.878 3.872 . 0 0 "[ . 1 . 2]" 1
632 1 21 THR H 1 39 ILE H 5.490 . 5.490 4.667 4.399 5.183 . 0 0 "[ . 1 . 2]" 1
633 1 21 THR H 1 68 TRP H 6.300 . 6.300 5.531 4.339 6.372 0.072 15 0 "[ . 1 . 2]" 1
634 1 21 THR H 1 68 TRP HD1 3.930 . 3.930 3.296 2.802 3.996 0.066 19 0 "[ . 1 . 2]" 1
635 1 21 THR H 1 68 TRP HE1 4.920 . 4.920 4.845 4.410 5.107 0.187 12 0 "[ . 1 . 2]" 1
636 1 21 THR H 1 113 LEU HG 5.470 . 5.470 5.231 4.915 5.492 0.022 6 0 "[ . 1 . 2]" 1
637 1 21 THR HA 1 21 THR MG 3.500 . 3.500 2.466 2.391 2.636 . 0 0 "[ . 1 . 2]" 1
638 1 21 THR HA 1 22 VAL H 2.970 . 2.970 2.162 2.101 2.310 . 0 0 "[ . 1 . 2]" 1
639 1 21 THR HA 1 22 VAL MG2 5.020 . 5.020 3.573 3.440 3.749 . 0 0 "[ . 1 . 2]" 1
640 1 21 THR HA 1 113 LEU QD 5.450 . 5.450 3.526 2.772 3.909 . 0 0 "[ . 1 . 2]" 1
641 1 21 THR HA 1 113 LEU HG 4.700 . 4.700 3.461 2.725 3.836 . 0 0 "[ . 1 . 2]" 1
642 1 21 THR HB 1 22 VAL H 3.590 . 3.590 2.971 2.679 3.099 . 0 0 "[ . 1 . 2]" 1
643 1 21 THR HB 1 38 ALA HA 5.310 . 5.310 4.985 4.692 5.243 . 0 0 "[ . 1 . 2]" 1
644 1 21 THR MG 1 22 VAL H 4.270 . 4.270 3.962 3.869 4.098 . 0 0 "[ . 1 . 2]" 1
645 1 21 THR MG 1 37 ASN QB 5.440 . 5.440 3.814 3.485 4.114 . 0 0 "[ . 1 . 2]" 1
646 1 21 THR MG 1 38 ALA H 5.200 . 5.200 4.474 3.867 4.737 . 0 0 "[ . 1 . 2]" 1
647 1 21 THR MG 1 38 ALA HA 3.660 . 3.660 2.591 1.902 2.885 . 0 0 "[ . 1 . 2]" 1
648 1 21 THR MG 1 39 ILE H 3.660 . 3.660 3.227 2.819 3.599 . 0 0 "[ . 1 . 2]" 1
649 1 21 THR MG 1 39 ILE MD 3.240 . 3.240 2.451 2.143 3.025 . 0 0 "[ . 1 . 2]" 1
650 1 21 THR MG 1 39 ILE HG13 3.850 . 3.850 2.336 2.070 2.753 . 0 0 "[ . 1 . 2]" 1
651 1 22 VAL H 1 22 VAL HB 3.540 . 3.540 2.688 2.607 2.797 . 0 0 "[ . 1 . 2]" 1
652 1 22 VAL H 1 22 VAL MG1 4.200 . 4.200 3.873 3.836 3.924 . 0 0 "[ . 1 . 2]" 1
653 1 22 VAL H 1 22 VAL MG2 3.920 . 3.920 2.835 2.753 2.934 . 0 0 "[ . 1 . 2]" 1
654 1 22 VAL H 1 23 THR H 5.310 . 5.310 4.132 4.033 4.215 . 0 0 "[ . 1 . 2]" 1
655 1 22 VAL H 1 36 TRP HA 6.300 . 6.300 5.885 5.562 6.344 0.044 17 0 "[ . 1 . 2]" 1
656 1 22 VAL H 1 113 LEU HB2 5.050 . 5.050 4.352 3.601 4.775 . 0 0 "[ . 1 . 2]" 1
657 1 22 VAL H 1 113 LEU HB3 5.270 . 5.270 3.019 2.435 3.380 . 0 0 "[ . 1 . 2]" 1
658 1 22 VAL H 1 113 LEU HG 4.750 . 4.750 3.974 3.209 4.404 . 0 0 "[ . 1 . 2]" 1
659 1 22 VAL HA 1 23 THR H 3.110 . 3.110 2.067 2.007 2.099 . 0 0 "[ . 1 . 2]" 1
660 1 22 VAL HA 1 23 THR HB 5.180 . 5.180 4.681 4.495 4.928 . 0 0 "[ . 1 . 2]" 1
661 1 22 VAL HA 1 34 VAL MG2 6.300 . 6.300 4.025 3.699 4.278 . 0 0 "[ . 1 . 2]" 1
662 1 22 VAL HA 1 35 ASP H 5.800 . 5.800 5.126 4.927 5.476 . 0 0 "[ . 1 . 2]" 1
663 1 22 VAL HA 1 68 TRP HD1 5.780 . 5.780 4.916 4.322 5.707 . 0 0 "[ . 1 . 2]" 1
664 1 22 VAL HB 1 23 THR H 4.620 . 4.620 4.342 4.264 4.398 . 0 0 "[ . 1 . 2]" 1
665 1 22 VAL HB 1 24 ILE MD 4.790 . 4.790 4.089 3.877 4.231 . 0 0 "[ . 1 . 2]" 1
666 1 22 VAL HB 1 110 PHE QD 5.610 . 5.610 5.075 4.658 5.210 . 0 0 "[ . 1 . 2]" 1
667 1 22 VAL HB 1 110 PHE QE 6.300 . 6.300 5.347 4.961 5.494 . 0 0 "[ . 1 . 2]" 1
668 1 22 VAL HB 1 113 LEU HA 5.260 . 5.260 4.556 4.277 4.809 . 0 0 "[ . 1 . 2]" 1
669 1 22 VAL HB 1 113 LEU HB2 4.460 . 4.460 3.295 2.388 3.737 . 0 0 "[ . 1 . 2]" 1
670 1 22 VAL HB 1 113 LEU HB3 5.070 . 5.070 2.429 2.079 2.731 . 0 0 "[ . 1 . 2]" 1
671 1 22 VAL HB 1 113 LEU HG 5.380 . 5.380 4.528 4.125 4.855 . 0 0 "[ . 1 . 2]" 1
672 1 22 VAL HB 1 114 ALA H 5.470 . 5.470 3.503 3.256 3.901 . 0 0 "[ . 1 . 2]" 1
673 1 22 VAL HB 1 114 ALA HA 5.170 . 5.170 3.085 2.863 3.410 . 0 0 "[ . 1 . 2]" 1
674 1 22 VAL HB 1 117 ALA MB 5.240 . 5.240 3.715 3.454 4.322 . 0 0 "[ . 1 . 2]" 1
675 1 22 VAL MG1 1 23 THR H 3.760 . 3.760 3.012 2.820 3.116 . 0 0 "[ . 1 . 2]" 1
676 1 22 VAL MG1 1 24 ILE H 5.020 . 5.020 4.044 3.825 4.182 . 0 0 "[ . 1 . 2]" 1
677 1 22 VAL MG1 1 24 ILE MD 3.130 . 3.130 2.145 2.006 2.263 . 0 0 "[ . 1 . 2]" 1
678 1 22 VAL MG1 1 24 ILE HG12 4.050 . 4.050 2.682 2.322 2.975 . 0 0 "[ . 1 . 2]" 1
679 1 22 VAL MG1 1 34 VAL MG1 4.610 . 4.610 4.300 3.853 4.638 0.028 15 0 "[ . 1 . 2]" 1
680 1 22 VAL MG1 1 34 VAL MG2 3.630 . 3.630 2.453 2.176 2.712 . 0 0 "[ . 1 . 2]" 1
681 1 22 VAL MG1 1 35 ASP H 4.880 . 4.880 4.411 4.124 4.735 . 0 0 "[ . 1 . 2]" 1
682 1 22 VAL MG1 1 110 PHE HA 5.290 . 5.290 3.825 3.473 4.186 . 0 0 "[ . 1 . 2]" 1
683 1 22 VAL MG1 1 110 PHE QD 4.420 . 4.420 3.189 2.825 3.361 . 0 0 "[ . 1 . 2]" 1
684 1 22 VAL MG1 1 110 PHE QE 3.940 . 3.940 2.572 2.149 2.829 . 0 0 "[ . 1 . 2]" 1
685 1 22 VAL MG1 1 114 ALA H 4.230 . 4.230 3.243 3.048 3.451 . 0 0 "[ . 1 . 2]" 1
686 1 22 VAL MG1 1 114 ALA HA 3.530 . 3.530 2.685 2.545 2.913 . 0 0 "[ . 1 . 2]" 1
687 1 22 VAL MG1 1 114 ALA MB 3.750 . 3.750 1.994 1.857 2.189 . 0 0 "[ . 1 . 2]" 1
688 1 22 VAL MG1 1 115 GLN H 6.300 . 6.300 5.081 4.958 5.320 . 0 0 "[ . 1 . 2]" 1
689 1 22 VAL MG1 1 117 ALA MB 4.580 . 4.580 3.633 3.421 3.924 . 0 0 "[ . 1 . 2]" 1
690 1 22 VAL MG2 1 23 THR H 4.550 . 4.550 4.047 3.958 4.161 . 0 0 "[ . 1 . 2]" 1
691 1 22 VAL MG2 1 68 TRP HD1 4.360 . 4.360 3.508 2.828 4.150 . 0 0 "[ . 1 . 2]" 1
692 1 22 VAL MG2 1 110 PHE H 5.070 . 5.070 4.539 4.255 4.928 . 0 0 "[ . 1 . 2]" 1
693 1 22 VAL MG2 1 110 PHE HA 3.990 . 3.990 2.159 1.868 2.565 . 0 0 "[ . 1 . 2]" 1
694 1 22 VAL MG2 1 110 PHE QD 3.700 . 3.700 2.469 2.216 2.646 . 0 0 "[ . 1 . 2]" 1
695 1 22 VAL MG2 1 110 PHE QE 4.330 . 4.330 3.409 3.285 3.646 . 0 0 "[ . 1 . 2]" 1
696 1 22 VAL MG2 1 110 PHE HZ 6.040 . 6.040 4.983 4.820 5.246 . 0 0 "[ . 1 . 2]" 1
697 1 22 VAL MG2 1 113 LEU H 4.210 . 4.210 3.598 3.358 3.750 . 0 0 "[ . 1 . 2]" 1
698 1 22 VAL MG2 1 113 LEU HA 5.760 . 5.760 4.481 4.360 4.675 . 0 0 "[ . 1 . 2]" 1
699 1 22 VAL MG2 1 113 LEU HB2 3.800 . 3.800 2.319 2.178 2.409 . 0 0 "[ . 1 . 2]" 1
700 1 22 VAL MG2 1 114 ALA H 4.540 . 4.540 3.185 2.876 3.428 . 0 0 "[ . 1 . 2]" 1
701 1 22 VAL MG2 1 114 ALA HA 4.670 . 4.670 4.092 3.816 4.476 . 0 0 "[ . 1 . 2]" 1
702 1 23 THR H 1 23 THR HB 4.070 . 4.070 2.656 2.555 2.873 . 0 0 "[ . 1 . 2]" 1
703 1 23 THR H 1 23 THR MG 4.250 . 4.250 3.796 3.767 3.826 . 0 0 "[ . 1 . 2]" 1
704 1 23 THR H 1 24 ILE H 4.870 . 4.870 4.280 4.233 4.375 . 0 0 "[ . 1 . 2]" 1
705 1 23 THR H 1 24 ILE MD 5.200 . 5.200 4.412 4.217 4.614 . 0 0 "[ . 1 . 2]" 1
706 1 23 THR H 1 24 ILE HG12 5.810 . 5.810 4.709 4.431 4.872 . 0 0 "[ . 1 . 2]" 1
707 1 23 THR H 1 34 VAL MG1 5.860 . 5.860 5.773 5.445 5.903 0.043 4 0 "[ . 1 . 2]" 1
708 1 23 THR H 1 34 VAL MG2 4.420 . 4.420 3.437 3.143 3.617 . 0 0 "[ . 1 . 2]" 1
709 1 23 THR H 1 35 ASP H 4.110 . 4.110 3.456 3.268 3.743 . 0 0 "[ . 1 . 2]" 1
710 1 23 THR H 1 35 ASP QB 4.340 . 4.340 3.670 3.282 4.080 . 0 0 "[ . 1 . 2]" 1
711 1 23 THR H 1 36 TRP HA 3.860 . 3.860 3.571 3.263 3.847 . 0 0 "[ . 1 . 2]" 1
712 1 23 THR H 1 36 TRP QB 5.820 . 5.820 5.068 4.654 5.669 . 0 0 "[ . 1 . 2]" 1
713 1 23 THR H 1 37 ASN H 4.680 . 4.680 4.416 3.778 4.765 0.085 14 0 "[ . 1 . 2]" 1
714 1 23 THR H 1 117 ALA MB 6.300 . 6.300 5.359 5.008 5.590 . 0 0 "[ . 1 . 2]" 1
715 1 23 THR HA 1 23 THR MG 3.400 . 3.400 2.282 2.179 2.338 . 0 0 "[ . 1 . 2]" 1
716 1 23 THR HA 1 24 ILE H 3.120 . 3.120 2.139 2.089 2.184 . 0 0 "[ . 1 . 2]" 1
717 1 23 THR HA 1 24 ILE HB 5.160 . 5.160 4.625 4.373 4.740 . 0 0 "[ . 1 . 2]" 1
718 1 23 THR HA 1 34 VAL MG2 6.300 . 6.300 4.649 4.366 4.810 . 0 0 "[ . 1 . 2]" 1
719 1 23 THR HA 1 35 ASP H 6.040 . 6.040 4.712 4.597 4.877 . 0 0 "[ . 1 . 2]" 1
720 1 23 THR HA 1 117 ALA MB 5.070 . 5.070 3.871 3.576 4.236 . 0 0 "[ . 1 . 2]" 1
721 1 23 THR HB 1 24 ILE H 5.010 . 5.010 4.225 4.122 4.284 . 0 0 "[ . 1 . 2]" 1
722 1 23 THR HB 1 35 ASP H 4.330 . 4.330 2.809 2.505 3.209 . 0 0 "[ . 1 . 2]" 1
723 1 23 THR HB 1 35 ASP HB2 4.240 . 4.240 2.924 1.559 3.676 . 0 0 "[ . 1 . 2]" 1
724 1 23 THR HB 1 35 ASP QB 3.610 . 3.610 1.686 1.357 2.078 . 0 0 "[ . 1 . 2]" 1
725 1 23 THR HB 1 35 ASP HB3 4.240 . 4.240 2.019 1.359 3.418 . 0 0 "[ . 1 . 2]" 1
726 1 23 THR HB 1 36 TRP HA 5.030 . 5.030 4.903 4.419 5.128 0.098 11 0 "[ . 1 . 2]" 1
727 1 23 THR MG 1 24 ILE H 3.660 . 3.660 3.037 2.843 3.121 . 0 0 "[ . 1 . 2]" 1
728 1 23 THR MG 1 24 ILE HB 5.120 . 5.120 4.904 4.734 5.127 0.007 19 0 "[ . 1 . 2]" 1
729 1 23 THR MG 1 24 ILE HG12 4.800 . 4.800 4.927 4.868 5.011 0.211 19 0 "[ . 1 . 2]" 1
730 1 23 THR MG 1 25 GLU H 5.130 . 5.130 4.422 4.006 4.969 . 0 0 "[ . 1 . 2]" 1
731 1 23 THR MG 1 25 GLU HB2 4.960 . 4.960 4.076 3.362 4.814 . 0 0 "[ . 1 . 2]" 1
732 1 23 THR MG 1 35 ASP H 4.970 . 4.970 3.903 3.682 4.321 . 0 0 "[ . 1 . 2]" 1
733 1 23 THR MG 1 35 ASP HB2 4.850 . 4.850 3.632 2.779 4.494 . 0 0 "[ . 1 . 2]" 1
734 1 23 THR MG 1 35 ASP QB 4.030 . 4.030 2.819 2.404 3.200 . 0 0 "[ . 1 . 2]" 1
735 1 23 THR MG 1 35 ASP HB3 4.850 . 4.850 3.165 2.444 4.235 . 0 0 "[ . 1 . 2]" 1
736 1 24 ILE H 1 24 ILE HB 3.660 . 3.660 2.530 2.434 2.606 . 0 0 "[ . 1 . 2]" 1
737 1 24 ILE H 1 24 ILE MD 4.430 . 4.430 3.551 3.439 3.780 . 0 0 "[ . 1 . 2]" 1
738 1 24 ILE H 1 24 ILE HG12 4.000 . 4.000 2.395 2.205 2.744 . 0 0 "[ . 1 . 2]" 1
739 1 24 ILE H 1 24 ILE HG13 5.130 . 5.130 3.757 3.598 3.988 . 0 0 "[ . 1 . 2]" 1
740 1 24 ILE H 1 24 ILE MG 4.620 . 4.620 3.801 3.764 3.836 . 0 0 "[ . 1 . 2]" 1
741 1 24 ILE H 1 25 GLU H 4.690 . 4.690 4.340 4.255 4.461 . 0 0 "[ . 1 . 2]" 1
742 1 24 ILE H 1 31 ILE MG 6.300 . 6.300 5.879 5.594 6.044 . 0 0 "[ . 1 . 2]" 1
743 1 24 ILE H 1 35 ASP H 5.760 . 5.760 4.907 4.814 4.966 . 0 0 "[ . 1 . 2]" 1
744 1 24 ILE H 1 35 ASP QB 6.100 . 6.100 5.356 4.889 5.757 . 0 0 "[ . 1 . 2]" 1
745 1 24 ILE H 1 117 ALA MB 4.840 . 4.840 3.247 2.898 3.680 . 0 0 "[ . 1 . 2]" 1
746 1 24 ILE HA 1 24 ILE MG 3.690 . 3.690 2.413 2.355 2.534 . 0 0 "[ . 1 . 2]" 1
747 1 24 ILE HA 1 25 GLU H 3.040 . 3.040 2.175 2.109 2.220 . 0 0 "[ . 1 . 2]" 1
748 1 24 ILE HA 1 25 GLU HB2 6.060 . 6.060 4.750 4.390 5.186 . 0 0 "[ . 1 . 2]" 1
749 1 24 ILE HA 1 31 ILE MG 5.460 . 5.460 3.645 3.348 3.871 . 0 0 "[ . 1 . 2]" 1
750 1 24 ILE HB 1 25 GLU H 4.690 . 4.690 4.299 4.197 4.398 . 0 0 "[ . 1 . 2]" 1
751 1 24 ILE HB 1 25 GLU HA 6.300 . 6.300 4.839 4.736 4.930 . 0 0 "[ . 1 . 2]" 1
752 1 24 ILE HB 1 26 VAL H 6.300 . 6.300 5.158 4.897 5.448 . 0 0 "[ . 1 . 2]" 1
753 1 24 ILE HB 1 118 LEU MD1 4.530 . 4.530 3.371 2.802 3.874 . 0 0 "[ . 1 . 2]" 1
754 1 24 ILE HB 1 118 LEU MD2 4.280 . 4.280 3.147 2.168 3.950 . 0 0 "[ . 1 . 2]" 1
755 1 24 ILE MD 1 24 ILE MG 3.300 . 3.300 2.004 1.968 2.034 . 0 0 "[ . 1 . 2]" 1
756 1 24 ILE MD 1 25 GLU H 4.730 . 4.730 3.933 3.753 4.087 . 0 0 "[ . 1 . 2]" 1
757 1 24 ILE MD 1 34 VAL MG1 4.160 . 4.160 3.820 3.628 4.077 . 0 0 "[ . 1 . 2]" 1
758 1 24 ILE MD 1 34 VAL MG2 3.650 . 3.650 1.928 1.832 2.034 . 0 0 "[ . 1 . 2]" 1
759 1 24 ILE MD 1 35 ASP H 5.420 . 5.420 4.245 4.039 4.470 . 0 0 "[ . 1 . 2]" 1
760 1 24 ILE MD 1 79 LEU QB 5.800 . 5.800 4.283 3.962 4.608 . 0 0 "[ . 1 . 2]" 1
761 1 24 ILE MD 1 79 LEU HG 4.780 . 4.780 3.176 2.748 3.578 . 0 0 "[ . 1 . 2]" 1
762 1 24 ILE MD 1 110 PHE QE 5.960 . 5.960 4.082 3.399 4.339 . 0 0 "[ . 1 . 2]" 1
763 1 24 ILE MD 1 110 PHE HZ 6.300 . 6.300 3.948 3.539 4.261 . 0 0 "[ . 1 . 2]" 1
764 1 24 ILE MD 1 114 ALA HA 3.580 . 3.580 2.821 2.384 3.438 . 0 0 "[ . 1 . 2]" 1
765 1 24 ILE HG12 1 25 GLU H 5.610 . 5.610 5.131 5.073 5.197 . 0 0 "[ . 1 . 2]" 1
766 1 24 ILE HG12 1 35 ASP H 6.300 . 6.300 5.596 5.372 5.781 . 0 0 "[ . 1 . 2]" 1
767 1 24 ILE HG12 1 114 ALA HA 5.740 . 5.740 3.285 2.901 3.878 . 0 0 "[ . 1 . 2]" 1
768 1 24 ILE HG12 1 117 ALA MB 3.970 . 3.970 2.640 2.373 3.079 . 0 0 "[ . 1 . 2]" 1
769 1 24 ILE HG13 1 114 ALA HA 6.060 . 6.060 3.204 2.695 3.833 . 0 0 "[ . 1 . 2]" 1
770 1 24 ILE HG13 1 114 ALA MB 4.650 . 4.650 3.244 2.924 3.939 . 0 0 "[ . 1 . 2]" 1
771 1 24 ILE HG13 1 118 LEU H 5.760 . 5.760 4.547 4.205 5.371 . 0 0 "[ . 1 . 2]" 1
772 1 24 ILE MG 1 25 GLU H 3.290 . 3.290 3.019 2.877 3.089 . 0 0 "[ . 1 . 2]" 1
773 1 24 ILE MG 1 25 GLU HA 4.620 . 4.620 3.941 3.661 4.101 . 0 0 "[ . 1 . 2]" 1
774 1 24 ILE MG 1 25 GLU HB3 5.080 . 5.080 4.773 4.550 4.891 . 0 0 "[ . 1 . 2]" 1
775 1 24 ILE MG 1 26 VAL H 5.010 . 5.010 3.841 3.469 4.111 . 0 0 "[ . 1 . 2]" 1
776 1 24 ILE MG 1 26 VAL HA 4.840 . 4.840 3.989 3.759 4.282 . 0 0 "[ . 1 . 2]" 1
777 1 24 ILE MG 1 31 ILE H 5.460 . 5.460 5.069 4.773 5.438 . 0 0 "[ . 1 . 2]" 1
778 1 24 ILE MG 1 31 ILE HA 4.420 . 4.420 3.641 3.250 4.055 . 0 0 "[ . 1 . 2]" 1
779 1 24 ILE MG 1 31 ILE MD 3.530 . 3.530 2.425 2.272 2.590 . 0 0 "[ . 1 . 2]" 1
780 1 24 ILE MG 1 31 ILE QG 4.680 . 4.680 2.328 2.118 2.584 . 0 0 "[ . 1 . 2]" 1
781 1 24 ILE MG 1 31 ILE MG 3.030 . 3.030 2.226 1.889 2.543 . 0 0 "[ . 1 . 2]" 1
782 1 24 ILE MG 1 33 SER H 4.840 . 4.840 4.642 4.269 4.857 0.017 13 0 "[ . 1 . 2]" 1
783 1 24 ILE MG 1 114 ALA MB 5.500 . 5.500 4.217 3.972 4.578 . 0 0 "[ . 1 . 2]" 1
784 1 24 ILE MG 1 117 ALA MB 4.580 . 4.580 3.924 3.491 4.117 . 0 0 "[ . 1 . 2]" 1
785 1 24 ILE MG 1 118 LEU MD2 3.570 . 3.570 2.256 1.957 2.511 . 0 0 "[ . 1 . 2]" 1
786 1 25 GLU H 1 25 GLU HB2 4.170 . 4.170 2.915 2.691 3.236 . 0 0 "[ . 1 . 2]" 1
787 1 25 GLU H 1 25 GLU HB3 3.520 . 3.520 2.470 2.398 2.517 . 0 0 "[ . 1 . 2]" 1
788 1 25 GLU H 1 25 GLU HG2 4.870 . 4.870 4.382 4.149 4.630 . 0 0 "[ . 1 . 2]" 1
789 1 25 GLU H 1 25 GLU HG3 5.210 . 5.210 4.554 4.339 4.633 . 0 0 "[ . 1 . 2]" 1
790 1 25 GLU H 1 26 VAL H 4.510 . 4.510 4.264 4.186 4.352 . 0 0 "[ . 1 . 2]" 1
791 1 25 GLU H 1 26 VAL HA 6.300 . 6.300 5.085 4.992 5.184 . 0 0 "[ . 1 . 2]" 1
792 1 25 GLU H 1 26 VAL MG2 4.670 . 4.670 4.272 4.013 4.556 . 0 0 "[ . 1 . 2]" 1
793 1 25 GLU H 1 31 ILE HA 5.730 . 5.730 4.965 4.673 5.259 . 0 0 "[ . 1 . 2]" 1
794 1 25 GLU H 1 31 ILE MG 4.270 . 4.270 3.230 2.879 3.489 . 0 0 "[ . 1 . 2]" 1
795 1 25 GLU H 1 32 VAL H 5.110 . 5.110 4.833 4.651 5.074 . 0 0 "[ . 1 . 2]" 1
796 1 25 GLU H 1 33 SER H 4.140 . 4.140 3.761 3.614 3.963 . 0 0 "[ . 1 . 2]" 1
797 1 25 GLU H 1 33 SER HA 5.550 . 5.550 5.117 4.970 5.396 . 0 0 "[ . 1 . 2]" 1
798 1 25 GLU H 1 33 SER QB 4.870 . 4.870 3.911 3.506 4.778 . 0 0 "[ . 1 . 2]" 1
799 1 25 GLU H 1 34 VAL H 5.260 . 5.260 4.636 4.415 4.939 . 0 0 "[ . 1 . 2]" 1
800 1 25 GLU H 1 34 VAL MG1 5.540 . 5.540 4.936 4.701 5.163 . 0 0 "[ . 1 . 2]" 1
801 1 25 GLU HA 1 25 GLU HG2 4.320 . 4.320 3.398 3.191 3.794 . 0 0 "[ . 1 . 2]" 1
802 1 25 GLU HA 1 26 VAL H 3.110 . 3.110 2.067 2.018 2.148 . 0 0 "[ . 1 . 2]" 1
803 1 25 GLU HA 1 26 VAL MG1 5.970 . 5.970 5.429 5.379 5.491 . 0 0 "[ . 1 . 2]" 1
804 1 25 GLU HA 1 26 VAL MG2 4.920 . 4.920 3.730 3.525 4.021 . 0 0 "[ . 1 . 2]" 1
805 1 25 GLU HA 1 32 VAL H 6.020 . 6.020 5.304 5.112 5.521 . 0 0 "[ . 1 . 2]" 1
806 1 25 GLU HA 1 32 VAL MG2 5.200 . 5.200 4.684 4.418 5.053 . 0 0 "[ . 1 . 2]" 1
807 1 25 GLU HA 1 33 SER H 5.670 . 5.670 5.126 5.008 5.330 . 0 0 "[ . 1 . 2]" 1
808 1 25 GLU HA 1 33 SER QB 6.100 . 6.100 4.812 4.412 5.895 . 0 0 "[ . 1 . 2]" 1
809 1 25 GLU HB2 1 26 VAL H 4.840 . 4.840 4.276 4.069 4.430 . 0 0 "[ . 1 . 2]" 1
810 1 25 GLU HB2 1 32 VAL H 5.780 . 5.780 5.665 5.235 5.819 0.039 10 0 "[ . 1 . 2]" 1
811 1 25 GLU HB2 1 32 VAL MG2 4.730 . 4.730 4.437 4.077 4.705 . 0 0 "[ . 1 . 2]" 1
812 1 25 GLU HB2 1 33 SER H 5.060 . 5.060 4.729 4.245 4.972 . 0 0 "[ . 1 . 2]" 1
813 1 25 GLU HB2 1 33 SER QB 4.060 . 4.060 3.190 2.637 4.094 0.034 5 0 "[ . 1 . 2]" 1
814 1 25 GLU HB2 1 34 VAL HA 6.300 . 6.300 4.237 3.698 5.192 . 0 0 "[ . 1 . 2]" 1
815 1 25 GLU HB3 1 26 VAL H 4.870 . 4.870 4.360 4.284 4.420 . 0 0 "[ . 1 . 2]" 1
816 1 25 GLU HB3 1 32 VAL H 5.290 . 5.290 4.144 3.572 4.333 . 0 0 "[ . 1 . 2]" 1
817 1 25 GLU HB3 1 32 VAL MG2 3.940 . 3.940 3.316 2.919 3.559 . 0 0 "[ . 1 . 2]" 1
818 1 25 GLU HB3 1 33 SER H 4.640 . 4.640 3.001 2.531 3.265 . 0 0 "[ . 1 . 2]" 1
819 1 25 GLU HB3 1 33 SER QB 4.320 . 4.320 2.000 1.582 3.116 . 0 0 "[ . 1 . 2]" 1
820 1 25 GLU HB3 1 34 VAL HA 5.740 . 5.740 3.810 3.599 4.262 . 0 0 "[ . 1 . 2]" 1
821 1 25 GLU HG2 1 26 VAL H 4.870 . 4.870 3.909 3.463 4.871 0.001 5 0 "[ . 1 . 2]" 1
822 1 25 GLU HG2 1 26 VAL HA 5.490 . 5.490 4.384 3.920 5.643 0.153 5 0 "[ . 1 . 2]" 1
823 1 25 GLU HG2 1 31 ILE MG 5.160 . 5.160 5.123 4.627 5.397 0.237 12 0 "[ . 1 . 2]" 1
824 1 25 GLU HG2 1 32 VAL H 5.420 . 5.420 3.904 3.200 4.680 . 0 0 "[ . 1 . 2]" 1
825 1 25 GLU HG2 1 32 VAL MG1 4.990 . 4.990 4.648 4.254 5.201 0.211 12 0 "[ . 1 . 2]" 1
826 1 25 GLU HG2 1 32 VAL MG2 4.020 . 4.020 2.332 2.044 2.629 . 0 0 "[ . 1 . 2]" 1
827 1 25 GLU HG2 1 33 SER H 4.860 . 4.860 3.780 3.253 4.309 . 0 0 "[ . 1 . 2]" 1
828 1 25 GLU HG2 1 33 SER HB2 5.210 . 5.210 3.534 2.937 4.904 . 0 0 "[ . 1 . 2]" 1
829 1 25 GLU HG2 1 33 SER HB3 5.210 . 5.210 3.999 2.309 5.063 . 0 0 "[ . 1 . 2]" 1
830 1 25 GLU HG2 1 34 VAL H 6.300 . 6.300 6.371 6.107 6.506 0.206 3 0 "[ . 1 . 2]" 1
831 1 25 GLU HG2 1 34 VAL HA 6.300 . 6.300 6.079 5.719 6.390 0.090 17 0 "[ . 1 . 2]" 1
832 1 25 GLU HG3 1 26 VAL H 4.750 . 4.750 3.266 2.937 3.566 . 0 0 "[ . 1 . 2]" 1
833 1 25 GLU HG3 1 27 LYS H 6.270 . 6.270 5.300 4.167 5.778 . 0 0 "[ . 1 . 2]" 1
834 1 25 GLU HG3 1 27 LYS HB3 5.590 . 5.590 5.312 4.462 5.656 0.066 20 0 "[ . 1 . 2]" 1
835 1 25 GLU HG3 1 32 VAL MG2 4.140 . 4.140 3.487 2.310 3.980 . 0 0 "[ . 1 . 2]" 1
836 1 25 GLU HG3 1 33 SER H 5.230 . 5.230 5.051 4.128 5.315 0.085 7 0 "[ . 1 . 2]" 1
837 1 26 VAL H 1 26 VAL HB 3.720 . 3.720 2.542 2.406 2.621 . 0 0 "[ . 1 . 2]" 1
838 1 26 VAL H 1 26 VAL MG1 4.340 . 4.340 3.808 3.730 3.852 . 0 0 "[ . 1 . 2]" 1
839 1 26 VAL H 1 26 VAL MG2 3.720 . 3.720 2.614 2.409 2.991 . 0 0 "[ . 1 . 2]" 1
840 1 26 VAL H 1 27 LYS H 4.860 . 4.860 4.372 4.241 4.455 . 0 0 "[ . 1 . 2]" 1
841 1 26 VAL H 1 27 LYS HB2 6.300 . 6.300 4.989 4.778 5.262 . 0 0 "[ . 1 . 2]" 1
842 1 26 VAL H 1 31 ILE HA 5.900 . 5.900 4.682 4.558 4.840 . 0 0 "[ . 1 . 2]" 1
843 1 26 VAL H 1 32 VAL H 5.500 . 5.500 4.892 4.709 5.154 . 0 0 "[ . 1 . 2]" 1
844 1 26 VAL H 1 32 VAL MG1 6.300 . 6.300 5.940 5.631 6.260 . 0 0 "[ . 1 . 2]" 1
845 1 26 VAL H 1 33 SER H 6.210 . 6.210 5.516 5.311 5.861 . 0 0 "[ . 1 . 2]" 1
846 1 26 VAL HA 1 26 VAL MG2 3.720 . 3.720 2.371 2.245 2.453 . 0 0 "[ . 1 . 2]" 1
847 1 26 VAL HA 1 27 LYS H 2.930 . 2.930 2.126 2.074 2.179 . 0 0 "[ . 1 . 2]" 1
848 1 26 VAL HA 1 30 LYS H 4.860 . 4.860 4.527 4.139 4.852 . 0 0 "[ . 1 . 2]" 1
849 1 26 VAL HA 1 31 ILE H 5.330 . 5.330 4.483 4.325 4.675 . 0 0 "[ . 1 . 2]" 1
850 1 26 VAL HA 1 31 ILE HA 4.050 . 4.050 2.253 2.045 2.424 . 0 0 "[ . 1 . 2]" 1
851 1 26 VAL HA 1 31 ILE QG 5.920 . 5.920 3.783 3.521 4.045 . 0 0 "[ . 1 . 2]" 1
852 1 26 VAL HA 1 31 ILE MG 4.960 . 4.960 3.796 3.630 4.042 . 0 0 "[ . 1 . 2]" 1
853 1 26 VAL HA 1 32 VAL H 3.840 . 3.840 2.855 2.548 3.174 . 0 0 "[ . 1 . 2]" 1
854 1 26 VAL HA 1 32 VAL MG2 4.130 . 4.130 3.356 2.807 3.945 . 0 0 "[ . 1 . 2]" 1
855 1 26 VAL HA 1 33 SER H 5.120 . 5.120 4.392 4.067 4.798 . 0 0 "[ . 1 . 2]" 1
856 1 26 VAL HB 1 27 LYS H 4.760 . 4.760 4.182 3.987 4.363 . 0 0 "[ . 1 . 2]" 1
857 1 26 VAL HB 1 29 GLY H 5.950 . 5.950 5.483 5.145 6.054 0.104 20 0 "[ . 1 . 2]" 1
858 1 26 VAL MG1 1 27 LYS H 3.390 . 3.390 2.705 2.421 2.995 . 0 0 "[ . 1 . 2]" 1
859 1 26 VAL MG1 1 27 LYS HA 4.840 . 4.840 3.516 3.329 3.857 . 0 0 "[ . 1 . 2]" 1
860 1 26 VAL MG1 1 28 ASN H 4.870 . 4.870 4.210 4.011 4.528 . 0 0 "[ . 1 . 2]" 1
861 1 26 VAL MG1 1 29 GLY H 3.630 . 3.630 2.965 2.733 3.285 . 0 0 "[ . 1 . 2]" 1
862 1 26 VAL MG1 1 29 GLY HA2 4.580 . 4.580 2.906 2.456 3.307 . 0 0 "[ . 1 . 2]" 1
863 1 26 VAL MG1 1 29 GLY HA3 4.580 . 4.580 4.030 3.731 4.279 . 0 0 "[ . 1 . 2]" 1
864 1 26 VAL MG1 1 30 LYS H 3.340 . 3.340 2.891 2.605 3.280 . 0 0 "[ . 1 . 2]" 1
865 1 26 VAL MG2 1 27 LYS H 4.640 . 4.640 3.955 3.706 4.114 . 0 0 "[ . 1 . 2]" 1
866 1 26 VAL MG2 1 29 GLY H 5.930 . 5.930 5.589 5.379 5.798 . 0 0 "[ . 1 . 2]" 1
867 1 26 VAL MG2 1 30 LYS H 5.470 . 5.470 4.935 4.479 5.331 . 0 0 "[ . 1 . 2]" 1
868 1 26 VAL MG2 1 31 ILE HA 4.050 . 4.050 2.672 2.063 3.052 . 0 0 "[ . 1 . 2]" 1
869 1 26 VAL MG2 1 118 LEU MD2 3.570 . 3.570 2.395 2.013 2.773 . 0 0 "[ . 1 . 2]" 1
870 1 26 VAL MG2 1 118 LEU HG 5.010 . 5.010 4.392 4.008 5.054 0.044 16 0 "[ . 1 . 2]" 1
871 1 27 LYS H 1 27 LYS HB2 3.820 . 3.820 3.188 2.935 3.394 . 0 0 "[ . 1 . 2]" 1
872 1 27 LYS H 1 27 LYS HB3 3.770 . 3.770 2.789 2.524 3.079 . 0 0 "[ . 1 . 2]" 1
873 1 27 LYS H 1 27 LYS HG3 5.330 . 5.330 4.753 4.589 4.877 . 0 0 "[ . 1 . 2]" 1
874 1 27 LYS H 1 28 ASN H 4.500 . 4.500 4.194 4.096 4.292 . 0 0 "[ . 1 . 2]" 1
875 1 27 LYS H 1 29 GLY H 4.610 . 4.610 4.109 3.789 4.342 . 0 0 "[ . 1 . 2]" 1
876 1 27 LYS H 1 30 LYS H 3.320 . 3.320 3.260 2.907 3.389 0.069 5 0 "[ . 1 . 2]" 1
877 1 27 LYS H 1 30 LYS HA 5.110 . 5.110 4.806 4.585 5.048 . 0 0 "[ . 1 . 2]" 1
878 1 27 LYS H 1 30 LYS QB 5.120 . 5.120 4.961 4.121 5.164 0.044 20 0 "[ . 1 . 2]" 1
879 1 27 LYS H 1 30 LYS QG 6.100 . 6.100 3.939 3.573 5.494 . 0 0 "[ . 1 . 2]" 1
880 1 27 LYS H 1 31 ILE HA 4.160 . 4.160 3.502 3.356 3.678 . 0 0 "[ . 1 . 2]" 1
881 1 27 LYS H 1 32 VAL MG1 3.500 . 3.500 2.726 2.417 3.015 . 0 0 "[ . 1 . 2]" 1
882 1 27 LYS H 1 32 VAL MG2 3.830 . 3.830 2.952 2.633 3.422 . 0 0 "[ . 1 . 2]" 1
883 1 27 LYS HA 1 27 LYS QD 4.400 . 4.400 4.103 3.843 4.271 . 0 0 "[ . 1 . 2]" 1
884 1 27 LYS HA 1 27 LYS HG2 4.110 . 4.110 3.152 2.907 3.334 . 0 0 "[ . 1 . 2]" 1
885 1 27 LYS HA 1 27 LYS HG3 4.130 . 4.130 2.579 2.180 2.858 . 0 0 "[ . 1 . 2]" 1
886 1 27 LYS HA 1 28 ASN H 3.290 . 3.290 2.147 2.040 2.208 . 0 0 "[ . 1 . 2]" 1
887 1 27 LYS HA 1 32 VAL MG1 4.590 . 4.590 4.347 4.161 4.585 . 0 0 "[ . 1 . 2]" 1
888 1 27 LYS HA 1 32 VAL MG2 4.700 . 4.700 4.204 4.009 4.489 . 0 0 "[ . 1 . 2]" 1
889 1 27 LYS HB2 1 28 ASN H 4.480 . 4.480 4.217 4.121 4.337 . 0 0 "[ . 1 . 2]" 1
890 1 27 LYS HB2 1 28 ASN HD21 6.300 . 6.300 5.172 4.359 6.251 . 0 0 "[ . 1 . 2]" 1
891 1 27 LYS HB2 1 32 VAL MG1 3.680 . 3.680 3.419 2.994 3.699 0.019 1 0 "[ . 1 . 2]" 1
892 1 27 LYS HB2 1 32 VAL MG2 3.460 . 3.460 2.481 2.228 2.650 . 0 0 "[ . 1 . 2]" 1
893 1 27 LYS HB3 1 27 LYS QE 4.980 . 4.980 3.082 1.878 4.182 . 0 0 "[ . 1 . 2]" 1
894 1 27 LYS HB3 1 28 ASN H 4.450 . 4.450 4.094 3.885 4.253 . 0 0 "[ . 1 . 2]" 1
895 1 27 LYS HB3 1 28 ASN HD21 5.590 . 5.590 3.846 2.877 5.020 . 0 0 "[ . 1 . 2]" 1
896 1 27 LYS HB3 1 32 VAL H 4.840 . 4.840 4.256 3.903 4.597 . 0 0 "[ . 1 . 2]" 1
897 1 27 LYS HB3 1 32 VAL HB 4.220 . 4.220 4.003 3.766 4.237 0.017 17 0 "[ . 1 . 2]" 1
898 1 27 LYS HB3 1 32 VAL MG1 3.360 . 3.360 2.080 1.818 2.272 . 0 0 "[ . 1 . 2]" 1
899 1 27 LYS HB3 1 32 VAL MG2 3.430 . 3.430 2.174 1.879 2.664 . 0 0 "[ . 1 . 2]" 1
900 1 27 LYS QD 1 28 ASN H 4.790 . 4.790 4.754 4.503 4.899 0.109 17 0 "[ . 1 . 2]" 1
901 1 27 LYS QD 1 28 ASN HD21 5.760 . 5.760 3.943 3.320 4.760 . 0 0 "[ . 1 . 2]" 1
902 1 27 LYS QD 1 28 ASN HD22 5.610 . 5.610 3.861 3.056 4.467 . 0 0 "[ . 1 . 2]" 1
903 1 27 LYS QD 1 32 VAL HB 5.370 . 5.370 4.380 3.842 5.519 0.149 1 0 "[ . 1 . 2]" 1
904 1 27 LYS QD 1 32 VAL MG2 3.870 . 3.870 2.696 2.082 3.307 . 0 0 "[ . 1 . 2]" 1
905 1 27 LYS QE 1 28 ASN HB2 6.300 . 6.300 5.660 3.338 6.462 0.162 5 0 "[ . 1 . 2]" 1
906 1 27 LYS QE 1 32 VAL MG1 5.100 . 5.100 3.672 1.532 4.848 . 0 0 "[ . 1 . 2]" 1
907 1 27 LYS QE 1 32 VAL MG2 4.430 . 4.430 3.074 1.499 4.549 0.119 18 0 "[ . 1 . 2]" 1
908 1 27 LYS HG2 1 28 ASN H 4.340 . 4.340 3.100 2.802 3.437 . 0 0 "[ . 1 . 2]" 1
909 1 27 LYS HG2 1 28 ASN HB2 5.510 . 5.510 3.797 3.359 4.275 . 0 0 "[ . 1 . 2]" 1
910 1 27 LYS HG2 1 28 ASN HB3 5.070 . 5.070 4.970 4.548 5.263 0.193 5 0 "[ . 1 . 2]" 1
911 1 27 LYS HG2 1 28 ASN HD21 4.710 . 4.710 2.697 1.944 3.803 . 0 0 "[ . 1 . 2]" 1
912 1 27 LYS HG2 1 32 VAL HB 6.000 . 6.000 5.866 5.475 6.081 0.081 9 0 "[ . 1 . 2]" 1
913 1 27 LYS HG2 1 32 VAL MG2 4.120 . 4.120 4.000 3.579 4.196 0.076 12 0 "[ . 1 . 2]" 1
914 1 27 LYS HG3 1 28 ASN H 4.670 . 4.670 3.167 2.761 3.560 . 0 0 "[ . 1 . 2]" 1
915 1 27 LYS HG3 1 28 ASN HD22 5.300 . 5.300 4.354 3.646 5.199 . 0 0 "[ . 1 . 2]" 1
916 1 27 LYS HG3 1 32 VAL MG2 4.770 . 4.770 4.223 4.041 4.474 . 0 0 "[ . 1 . 2]" 1
917 1 28 ASN H 1 28 ASN HA 2.890 . 2.890 2.258 2.230 2.271 . 0 0 "[ . 1 . 2]" 1
918 1 28 ASN H 1 28 ASN HB3 4.380 . 4.380 4.124 4.065 4.158 . 0 0 "[ . 1 . 2]" 1
919 1 28 ASN H 1 28 ASN HD22 6.300 . 6.300 4.595 4.095 5.105 . 0 0 "[ . 1 . 2]" 1
920 1 28 ASN H 1 29 GLY H 3.410 . 3.410 2.767 2.541 3.657 0.247 12 0 "[ . 1 . 2]" 1
921 1 28 ASN H 1 30 LYS H 4.680 . 4.680 4.350 4.184 4.737 0.057 20 0 "[ . 1 . 2]" 1
922 1 28 ASN H 1 32 VAL MG2 6.240 . 6.240 5.507 5.184 5.772 . 0 0 "[ . 1 . 2]" 1
923 1 28 ASN HA 1 28 ASN HD21 4.610 . 4.610 4.136 3.857 4.495 . 0 0 "[ . 1 . 2]" 1
924 1 28 ASN HA 1 28 ASN HD22 4.820 . 4.820 4.498 4.284 4.766 . 0 0 "[ . 1 . 2]" 1
925 1 28 ASN HA 1 29 GLY H 3.400 . 3.400 2.964 2.744 3.496 0.096 20 0 "[ . 1 . 2]" 1
926 1 28 ASN HA 1 30 LYS H 4.980 . 4.980 4.507 4.357 4.993 0.013 20 0 "[ . 1 . 2]" 1
927 1 28 ASN HB2 1 28 ASN HD21 3.310 . 3.310 2.182 2.133 2.246 . 0 0 "[ . 1 . 2]" 1
928 1 28 ASN HB2 1 28 ASN HD22 3.700 . 3.700 3.457 3.433 3.486 . 0 0 "[ . 1 . 2]" 1
929 1 28 ASN HB2 1 29 GLY H 5.350 . 5.350 3.899 2.121 4.326 . 0 0 "[ . 1 . 2]" 1
930 1 28 ASN HB2 1 30 LYS H 4.510 . 4.510 3.552 3.235 3.795 . 0 0 "[ . 1 . 2]" 1
931 1 28 ASN HB2 1 30 LYS QE 6.300 . 6.300 4.137 2.451 6.141 . 0 0 "[ . 1 . 2]" 1
932 1 28 ASN HB2 1 32 VAL MG1 4.600 . 4.600 3.927 3.433 4.702 0.102 17 0 "[ . 1 . 2]" 1
933 1 28 ASN HB3 1 28 ASN HD22 4.230 . 4.230 3.947 3.775 4.045 . 0 0 "[ . 1 . 2]" 1
934 1 28 ASN HB3 1 29 GLY H 5.280 . 5.280 4.243 2.970 4.488 . 0 0 "[ . 1 . 2]" 1
935 1 28 ASN HB3 1 30 LYS H 4.440 . 4.440 4.441 4.239 4.533 0.093 18 0 "[ . 1 . 2]" 1
936 1 28 ASN HB3 1 30 LYS QG 5.270 . 5.270 3.885 3.339 4.816 . 0 0 "[ . 1 . 2]" 1
937 1 28 ASN HD21 1 30 LYS QD 6.300 . 6.300 4.989 3.637 6.195 . 0 0 "[ . 1 . 2]" 1
938 1 28 ASN HD21 1 32 VAL MG1 4.990 . 4.990 3.558 2.423 4.467 . 0 0 "[ . 1 . 2]" 1
939 1 28 ASN HD22 1 32 VAL MG1 6.000 . 6.000 4.628 3.520 5.393 . 0 0 "[ . 1 . 2]" 1
940 1 29 GLY H 1 30 LYS H 3.350 . 3.350 2.629 1.528 3.037 . 0 0 "[ . 1 . 2]" 1
941 1 30 LYS H 1 30 LYS QB 3.400 . 3.400 3.020 2.623 3.288 . 0 0 "[ . 1 . 2]" 1
942 1 30 LYS H 1 30 LYS HG2 4.010 . 4.010 2.439 2.079 3.991 . 0 0 "[ . 1 . 2]" 1
943 1 30 LYS H 1 30 LYS HG3 4.010 . 4.010 2.996 2.377 3.335 . 0 0 "[ . 1 . 2]" 1
944 1 30 LYS H 1 31 ILE H 4.730 . 4.730 4.483 4.432 4.524 . 0 0 "[ . 1 . 2]" 1
945 1 30 LYS H 1 32 VAL MG1 4.450 . 4.450 4.048 3.797 4.314 . 0 0 "[ . 1 . 2]" 1
946 1 30 LYS HA 1 30 LYS QD 4.910 . 4.910 4.391 3.924 4.567 . 0 0 "[ . 1 . 2]" 1
947 1 30 LYS HA 1 31 ILE H 3.110 . 3.110 2.414 2.277 2.601 . 0 0 "[ . 1 . 2]" 1
948 1 30 LYS HA 1 31 ILE HB 5.370 . 5.370 5.004 4.871 5.202 . 0 0 "[ . 1 . 2]" 1
949 1 30 LYS QB 1 31 ILE H 3.360 . 3.360 2.480 2.201 2.825 . 0 0 "[ . 1 . 2]" 1
950 1 30 LYS QB 1 32 VAL MG1 4.380 . 4.380 4.122 2.992 4.470 0.090 1 0 "[ . 1 . 2]" 1
951 1 30 LYS QB 1 83 GLN HE21 5.350 . 5.350 4.856 4.407 5.225 . 0 0 "[ . 1 . 2]" 1
952 1 30 LYS QB 1 83 GLN HE22 4.670 . 4.670 3.739 3.147 4.197 . 0 0 "[ . 1 . 2]" 1
953 1 30 LYS QD 1 32 VAL MG1 4.680 . 4.680 3.585 2.201 4.341 . 0 0 "[ . 1 . 2]" 1
954 1 30 LYS QE 1 32 VAL MG1 5.520 . 5.520 4.113 2.246 5.696 0.176 12 0 "[ . 1 . 2]" 1
955 1 30 LYS QG 1 31 ILE H 4.740 . 4.740 3.736 3.407 4.381 . 0 0 "[ . 1 . 2]" 1
956 1 30 LYS QG 1 32 VAL MG1 4.650 . 4.650 2.796 2.288 4.687 0.037 12 0 "[ . 1 . 2]" 1
957 1 31 ILE H 1 31 ILE HB 3.580 . 3.580 2.614 2.550 2.689 . 0 0 "[ . 1 . 2]" 1
958 1 31 ILE H 1 31 ILE MD 4.210 . 4.210 3.561 3.482 3.642 . 0 0 "[ . 1 . 2]" 1
959 1 31 ILE H 1 31 ILE HG12 3.750 . 3.750 3.410 3.308 3.568 . 0 0 "[ . 1 . 2]" 1
960 1 31 ILE H 1 31 ILE HG13 3.750 . 3.750 2.110 2.008 2.281 . 0 0 "[ . 1 . 2]" 1
961 1 31 ILE H 1 31 ILE MG 4.580 . 4.580 3.801 3.778 3.820 . 0 0 "[ . 1 . 2]" 1
962 1 31 ILE H 1 32 VAL H 5.190 . 5.190 4.457 4.387 4.521 . 0 0 "[ . 1 . 2]" 1
963 1 31 ILE H 1 83 GLN HA 5.920 . 5.920 4.153 3.527 4.386 . 0 0 "[ . 1 . 2]" 1
964 1 31 ILE H 1 83 GLN HB3 5.750 . 5.750 4.142 3.643 4.514 . 0 0 "[ . 1 . 2]" 1
965 1 31 ILE H 1 83 GLN HE21 4.560 . 4.560 4.335 3.981 4.604 0.044 5 0 "[ . 1 . 2]" 1
966 1 31 ILE H 1 83 GLN HE22 3.800 . 3.800 3.162 2.642 3.640 . 0 0 "[ . 1 . 2]" 1
967 1 31 ILE HA 1 32 VAL H 3.240 . 3.240 2.163 2.143 2.193 . 0 0 "[ . 1 . 2]" 1
968 1 31 ILE HA 1 32 VAL MG1 4.510 . 4.510 3.860 3.746 3.996 . 0 0 "[ . 1 . 2]" 1
969 1 31 ILE HA 1 32 VAL MG2 4.340 . 4.340 3.794 3.658 3.991 . 0 0 "[ . 1 . 2]" 1
970 1 31 ILE HA 1 33 SER H 3.770 . 3.770 3.503 3.422 3.611 . 0 0 "[ . 1 . 2]" 1
971 1 31 ILE HB 1 31 ILE MD 3.130 . 3.130 2.418 2.351 2.463 . 0 0 "[ . 1 . 2]" 1
972 1 31 ILE HB 1 32 VAL H 5.200 . 5.200 4.243 4.136 4.315 . 0 0 "[ . 1 . 2]" 1
973 1 31 ILE HB 1 33 SER H 4.700 . 4.700 4.686 4.430 4.782 0.082 11 0 "[ . 1 . 2]" 1
974 1 31 ILE HB 1 79 LEU MD1 4.800 . 4.800 3.607 3.037 3.844 . 0 0 "[ . 1 . 2]" 1
975 1 31 ILE HB 1 80 VAL HA 4.810 . 4.810 3.586 3.283 3.865 . 0 0 "[ . 1 . 2]" 1
976 1 31 ILE HB 1 80 VAL MG1 5.050 . 5.050 4.221 3.630 4.639 . 0 0 "[ . 1 . 2]" 1
977 1 31 ILE HB 1 83 GLN HA 4.920 . 4.920 2.976 2.649 3.215 . 0 0 "[ . 1 . 2]" 1
978 1 31 ILE HB 1 83 GLN HE21 4.170 . 4.170 3.020 2.757 3.729 . 0 0 "[ . 1 . 2]" 1
979 1 31 ILE HB 1 83 GLN HE22 3.860 . 3.860 2.332 1.707 3.734 . 0 0 "[ . 1 . 2]" 1
980 1 31 ILE MD 1 33 SER H 5.330 . 5.330 5.420 5.184 5.526 0.196 17 0 "[ . 1 . 2]" 1
981 1 31 ILE MD 1 79 LEU MD2 3.440 . 3.440 3.099 2.705 3.379 . 0 0 "[ . 1 . 2]" 1
982 1 31 ILE MD 1 80 VAL HA 4.950 . 4.950 4.261 3.936 4.630 . 0 0 "[ . 1 . 2]" 1
983 1 31 ILE MD 1 83 GLN H 4.670 . 4.670 4.036 3.772 4.379 . 0 0 "[ . 1 . 2]" 1
984 1 31 ILE MD 1 83 GLN HA 4.130 . 4.130 2.553 2.088 3.353 . 0 0 "[ . 1 . 2]" 1
985 1 31 ILE MD 1 83 GLN HB2 6.090 . 6.090 4.863 4.450 5.378 . 0 0 "[ . 1 . 2]" 1
986 1 31 ILE MD 1 83 GLN HE21 5.440 . 5.440 4.043 3.611 4.857 . 0 0 "[ . 1 . 2]" 1
987 1 31 ILE MD 1 83 GLN HE22 5.130 . 5.130 4.121 3.556 5.253 0.123 17 0 "[ . 1 . 2]" 1
988 1 31 ILE MD 1 84 ASP H 4.540 . 4.540 3.565 3.290 3.752 . 0 0 "[ . 1 . 2]" 1
989 1 31 ILE MD 1 85 PRO HD2 4.730 . 4.730 4.115 3.519 4.539 . 0 0 "[ . 1 . 2]" 1
990 1 31 ILE MD 1 85 PRO HD3 3.740 . 3.740 2.691 1.999 3.112 . 0 0 "[ . 1 . 2]" 1
991 1 31 ILE QG 1 83 GLN HE22 5.310 . 5.310 4.082 3.505 5.045 . 0 0 "[ . 1 . 2]" 1
992 1 31 ILE MG 1 32 VAL H 3.770 . 3.770 2.898 2.703 3.012 . 0 0 "[ . 1 . 2]" 1
993 1 31 ILE MG 1 32 VAL HA 5.000 . 5.000 3.876 3.721 4.048 . 0 0 "[ . 1 . 2]" 1
994 1 31 ILE MG 1 33 SER H 3.970 . 3.970 2.474 2.256 2.552 . 0 0 "[ . 1 . 2]" 1
995 1 31 ILE MG 1 33 SER HA 5.380 . 5.380 3.845 3.406 4.101 . 0 0 "[ . 1 . 2]" 1
996 1 31 ILE MG 1 34 VAL H 5.190 . 5.190 4.563 4.217 4.838 . 0 0 "[ . 1 . 2]" 1
997 1 31 ILE MG 1 34 VAL HA 6.020 . 6.020 4.153 3.781 4.352 . 0 0 "[ . 1 . 2]" 1
998 1 31 ILE MG 1 34 VAL HB 4.820 . 4.820 3.164 2.872 3.496 . 0 0 "[ . 1 . 2]" 1
999 1 31 ILE MG 1 79 LEU MD1 3.410 . 3.410 2.163 1.948 2.396 . 0 0 "[ . 1 . 2]" 1
1000 1 31 ILE MG 1 80 VAL H 5.820 . 5.820 4.789 4.492 5.150 . 0 0 "[ . 1 . 2]" 1
1001 1 31 ILE MG 1 80 VAL HA 4.130 . 4.130 3.167 2.798 3.700 . 0 0 "[ . 1 . 2]" 1
1002 1 31 ILE MG 1 83 GLN HE21 4.860 . 4.860 4.049 3.761 4.753 . 0 0 "[ . 1 . 2]" 1
1003 1 31 ILE MG 1 83 GLN HE22 4.880 . 4.880 3.489 3.022 4.549 . 0 0 "[ . 1 . 2]" 1
1004 1 32 VAL H 1 32 VAL MG1 3.890 . 3.890 2.717 2.566 2.843 . 0 0 "[ . 1 . 2]" 1
1005 1 32 VAL H 1 32 VAL MG2 3.220 . 3.220 2.059 1.977 2.179 . 0 0 "[ . 1 . 2]" 1
1006 1 32 VAL H 1 33 SER H 2.860 . 2.860 2.070 1.909 2.195 . 0 0 "[ . 1 . 2]" 1
1007 1 32 VAL H 1 33 SER QB 5.150 . 5.150 4.285 4.058 4.533 . 0 0 "[ . 1 . 2]" 1
1008 1 32 VAL HA 1 32 VAL MG1 3.140 . 3.140 2.323 2.268 2.402 . 0 0 "[ . 1 . 2]" 1
1009 1 32 VAL HA 1 80 VAL MG1 3.830 . 3.830 3.158 2.654 3.581 . 0 0 "[ . 1 . 2]" 1
1010 1 32 VAL HB 1 33 SER H 4.580 . 4.580 4.100 3.951 4.234 . 0 0 "[ . 1 . 2]" 1
1011 1 32 VAL MG1 1 33 SER H 4.630 . 4.630 4.122 4.048 4.165 . 0 0 "[ . 1 . 2]" 1
1012 1 32 VAL MG1 1 33 SER QB 5.710 . 5.710 4.997 4.647 5.377 . 0 0 "[ . 1 . 2]" 1
1013 1 32 VAL MG2 1 33 SER H 3.200 . 3.200 2.674 2.489 2.892 . 0 0 "[ . 1 . 2]" 1
1014 1 32 VAL MG2 1 33 SER HB2 4.510 . 4.510 2.819 2.450 3.210 . 0 0 "[ . 1 . 2]" 1
1015 1 32 VAL MG2 1 33 SER QB 3.720 . 3.720 2.679 2.336 3.052 . 0 0 "[ . 1 . 2]" 1
1016 1 32 VAL MG2 1 33 SER HB3 4.510 . 4.510 3.590 2.658 4.304 . 0 0 "[ . 1 . 2]" 1
1017 1 33 SER H 1 33 SER HB2 4.380 . 4.380 3.144 2.879 3.453 . 0 0 "[ . 1 . 2]" 1
1018 1 33 SER H 1 33 SER QB 3.580 . 3.580 2.859 2.769 2.968 . 0 0 "[ . 1 . 2]" 1
1019 1 33 SER H 1 33 SER HB3 4.380 . 4.380 3.547 2.928 3.983 . 0 0 "[ . 1 . 2]" 1
1020 1 33 SER H 1 34 VAL H 4.600 . 4.600 4.320 4.273 4.370 . 0 0 "[ . 1 . 2]" 1
1021 1 33 SER H 1 34 VAL HA 5.130 . 5.130 4.719 4.531 4.842 . 0 0 "[ . 1 . 2]" 1
1022 1 33 SER H 1 34 VAL MG1 6.060 . 6.060 4.970 4.709 5.214 . 0 0 "[ . 1 . 2]" 1
1023 1 33 SER H 1 34 VAL MG2 6.020 . 6.020 5.866 5.719 6.029 0.009 20 0 "[ . 1 . 2]" 1
1024 1 33 SER H 1 80 VAL HA 5.710 . 5.710 5.509 4.946 5.789 0.079 18 0 "[ . 1 . 2]" 1
1025 1 33 SER H 1 80 VAL MG1 5.850 . 5.850 4.287 3.852 4.733 . 0 0 "[ . 1 . 2]" 1
1026 1 33 SER H 1 80 VAL MG2 5.710 . 5.710 3.849 3.549 4.122 . 0 0 "[ . 1 . 2]" 1
1027 1 33 SER HA 1 34 VAL H 2.890 . 2.890 2.363 2.273 2.489 . 0 0 "[ . 1 . 2]" 1
1028 1 33 SER HA 1 34 VAL MG1 5.110 . 5.110 3.569 3.318 3.913 . 0 0 "[ . 1 . 2]" 1
1029 1 33 SER HA 1 80 VAL MG1 4.470 . 4.470 3.684 3.180 4.142 . 0 0 "[ . 1 . 2]" 1
1030 1 33 SER HA 1 80 VAL MG2 3.830 . 3.830 2.649 1.950 3.083 . 0 0 "[ . 1 . 2]" 1
1031 1 33 SER QB 1 34 VAL H 3.610 . 3.610 2.820 2.288 3.490 . 0 0 "[ . 1 . 2]" 1
1032 1 33 SER QB 1 34 VAL HA 5.300 . 5.300 3.960 3.700 4.335 . 0 0 "[ . 1 . 2]" 1
1033 1 33 SER QB 1 80 VAL MG1 5.460 . 5.460 5.015 4.194 5.531 0.071 17 0 "[ . 1 . 2]" 1
1034 1 33 SER QB 1 80 VAL MG2 4.980 . 4.980 4.296 3.592 4.698 . 0 0 "[ . 1 . 2]" 1
1035 1 33 SER HB2 1 34 VAL H 4.150 . 4.150 3.764 3.461 4.080 . 0 0 "[ . 1 . 2]" 1
1036 1 33 SER HB2 1 80 VAL MG1 6.300 . 6.300 5.530 4.359 6.301 0.001 11 0 "[ . 1 . 2]" 1
1037 1 33 SER HB3 1 34 VAL H 4.150 . 4.150 2.960 2.315 3.851 . 0 0 "[ . 1 . 2]" 1
1038 1 33 SER HB3 1 80 VAL MG1 6.300 . 6.300 5.829 5.303 6.161 . 0 0 "[ . 1 . 2]" 1
1039 1 34 VAL H 1 34 VAL HB 3.720 . 3.720 3.427 3.273 3.522 . 0 0 "[ . 1 . 2]" 1
1040 1 34 VAL H 1 34 VAL MG1 4.020 . 4.020 2.445 2.297 2.582 . 0 0 "[ . 1 . 2]" 1
1041 1 34 VAL H 1 34 VAL MG2 4.410 . 4.410 3.984 3.944 4.037 . 0 0 "[ . 1 . 2]" 1
1042 1 34 VAL H 1 35 ASP H 4.890 . 4.890 4.206 4.079 4.334 . 0 0 "[ . 1 . 2]" 1
1043 1 34 VAL H 1 80 VAL MG2 4.810 . 4.810 3.392 2.815 3.919 . 0 0 "[ . 1 . 2]" 1
1044 1 34 VAL HA 1 35 ASP H 3.020 . 3.020 2.126 2.030 2.218 . 0 0 "[ . 1 . 2]" 1
1045 1 34 VAL HB 1 35 ASP H 4.670 . 4.670 3.994 3.927 4.071 . 0 0 "[ . 1 . 2]" 1
1046 1 34 VAL HB 1 76 GLU HA 5.240 . 5.240 5.015 4.794 5.259 0.019 10 0 "[ . 1 . 2]" 1
1047 1 34 VAL HB 1 79 LEU MD2 5.760 . 5.760 5.031 4.565 5.396 . 0 0 "[ . 1 . 2]" 1
1048 1 34 VAL HB 1 110 PHE HZ 5.620 . 5.620 4.120 3.525 4.385 . 0 0 "[ . 1 . 2]" 1
1049 1 34 VAL MG1 1 35 ASP H 3.680 . 3.680 3.887 3.791 3.972 0.292 6 0 "[ . 1 . 2]" 1
1050 1 34 VAL MG1 1 35 ASP HA 4.780 . 4.780 4.301 4.033 4.469 . 0 0 "[ . 1 . 2]" 1
1051 1 34 VAL MG1 1 76 GLU H 4.820 . 4.820 4.494 4.345 4.653 . 0 0 "[ . 1 . 2]" 1
1052 1 34 VAL MG1 1 76 GLU HA 3.630 . 3.630 2.476 2.176 2.788 . 0 0 "[ . 1 . 2]" 1
1053 1 34 VAL MG1 1 76 GLU HB2 4.950 . 4.950 1.830 1.583 2.146 . 0 0 "[ . 1 . 2]" 1
1054 1 34 VAL MG1 1 76 GLU HB3 4.370 . 4.370 2.836 2.513 3.022 . 0 0 "[ . 1 . 2]" 1
1055 1 34 VAL MG1 1 76 GLU HG2 4.690 . 4.690 4.191 3.807 4.518 . 0 0 "[ . 1 . 2]" 1
1056 1 34 VAL MG1 1 76 GLU QG 4.130 . 4.130 3.626 3.355 3.857 . 0 0 "[ . 1 . 2]" 1
1057 1 34 VAL MG1 1 76 GLU HG3 4.690 . 4.690 4.015 3.515 4.286 . 0 0 "[ . 1 . 2]" 1
1058 1 34 VAL MG1 1 77 ALA H 5.310 . 5.310 4.593 4.394 4.768 . 0 0 "[ . 1 . 2]" 1
1059 1 34 VAL MG1 1 77 ALA HA 5.410 . 5.410 4.553 4.246 4.824 . 0 0 "[ . 1 . 2]" 1
1060 1 34 VAL MG1 1 79 LEU H 5.180 . 5.180 4.126 3.520 4.737 . 0 0 "[ . 1 . 2]" 1
1061 1 34 VAL MG1 1 79 LEU QB 4.210 . 4.210 2.374 1.967 3.047 . 0 0 "[ . 1 . 2]" 1
1062 1 34 VAL MG1 1 79 LEU MD1 3.850 . 3.850 2.563 2.189 3.161 . 0 0 "[ . 1 . 2]" 1
1063 1 34 VAL MG1 1 80 VAL H 5.260 . 5.260 3.662 3.324 4.183 . 0 0 "[ . 1 . 2]" 1
1064 1 34 VAL MG1 1 80 VAL HA 6.300 . 6.300 4.508 4.063 5.017 . 0 0 "[ . 1 . 2]" 1
1065 1 34 VAL MG1 1 110 PHE QD 5.470 . 5.470 5.203 4.696 5.459 . 0 0 "[ . 1 . 2]" 1
1066 1 34 VAL MG1 1 110 PHE QE 3.770 . 3.770 3.422 2.932 3.762 . 0 0 "[ . 1 . 2]" 1
1067 1 34 VAL MG1 1 110 PHE HZ 3.710 . 3.710 2.553 1.812 3.177 . 0 0 "[ . 1 . 2]" 1
1068 1 34 VAL MG2 1 35 ASP H 3.750 . 3.750 2.438 2.294 2.559 . 0 0 "[ . 1 . 2]" 1
1069 1 34 VAL MG2 1 35 ASP HA 5.580 . 5.580 3.918 3.801 4.067 . 0 0 "[ . 1 . 2]" 1
1070 1 34 VAL MG2 1 35 ASP QB 5.650 . 5.650 4.114 3.900 4.398 . 0 0 "[ . 1 . 2]" 1
1071 1 34 VAL MG2 1 76 GLU HA 5.310 . 5.310 3.790 3.440 4.065 . 0 0 "[ . 1 . 2]" 1
1072 1 34 VAL MG2 1 76 GLU HB3 6.210 . 6.210 3.958 3.430 4.510 . 0 0 "[ . 1 . 2]" 1
1073 1 34 VAL MG2 1 79 LEU H 6.300 . 6.300 5.632 5.292 5.929 . 0 0 "[ . 1 . 2]" 1
1074 1 34 VAL MG2 1 79 LEU QB 4.390 . 4.390 3.477 3.170 3.823 . 0 0 "[ . 1 . 2]" 1
1075 1 34 VAL MG2 1 79 LEU HG 3.900 . 3.900 3.117 2.621 3.743 . 0 0 "[ . 1 . 2]" 1
1076 1 34 VAL MG2 1 110 PHE QD 5.860 . 5.860 4.296 3.981 4.447 . 0 0 "[ . 1 . 2]" 1
1077 1 34 VAL MG2 1 110 PHE QE 4.120 . 4.120 2.487 2.144 2.675 . 0 0 "[ . 1 . 2]" 1
1078 1 34 VAL MG2 1 110 PHE HZ 4.420 . 4.420 2.302 1.980 2.610 . 0 0 "[ . 1 . 2]" 1
1079 1 34 VAL MG2 1 114 ALA MB 5.970 . 5.970 3.980 3.655 4.423 . 0 0 "[ . 1 . 2]" 1
1080 1 35 ASP H 1 35 ASP HB2 4.070 . 4.070 2.863 2.447 3.177 . 0 0 "[ . 1 . 2]" 1
1081 1 35 ASP H 1 35 ASP QB 3.460 . 3.460 2.405 2.274 2.560 . 0 0 "[ . 1 . 2]" 1
1082 1 35 ASP H 1 35 ASP HB3 4.070 . 4.070 2.805 2.357 3.754 . 0 0 "[ . 1 . 2]" 1
1083 1 35 ASP H 1 76 GLU HB2 6.300 . 6.300 5.839 5.437 6.174 . 0 0 "[ . 1 . 2]" 1
1084 1 35 ASP HA 1 76 GLU HB2 5.850 . 5.850 5.417 4.779 6.000 0.150 17 0 "[ . 1 . 2]" 1
1085 1 36 TRP QB 1 37 ASN H 3.390 . 3.390 3.090 2.718 3.464 0.074 17 0 "[ . 1 . 2]" 1
1086 1 36 TRP HE1 1 76 GLU HB2 5.170 . 5.170 3.917 2.656 4.516 . 0 0 "[ . 1 . 2]" 1
1087 1 36 TRP HE1 1 76 GLU HB3 5.860 . 5.860 3.224 1.652 3.869 . 0 0 "[ . 1 . 2]" 1
1088 1 36 TRP HE1 1 76 GLU QG 5.440 . 5.440 2.609 1.371 3.770 . 0 0 "[ . 1 . 2]" 1
1089 1 37 ASN HA 1 37 ASN HD22 5.540 . 5.540 4.478 3.547 4.792 . 0 0 "[ . 1 . 2]" 1
1090 1 37 ASN HA 1 38 ALA H 3.660 . 3.660 2.508 2.383 2.644 . 0 0 "[ . 1 . 2]" 1
1091 1 37 ASN HA 1 48 ASP H 5.390 . 5.390 4.389 3.566 5.291 . 0 0 "[ . 1 . 2]" 1
1092 1 37 ASN QB 1 38 ALA H 4.030 . 4.030 3.166 2.274 3.548 . 0 0 "[ . 1 . 2]" 1
1093 1 37 ASN QD 1 38 ALA H 6.100 . 6.100 3.638 3.089 4.276 . 0 0 "[ . 1 . 2]" 1
1094 1 37 ASN QD 1 46 ASP HB2 5.730 . 5.730 3.521 2.310 5.360 . 0 0 "[ . 1 . 2]" 1
1095 1 37 ASN QD 1 46 ASP HB3 4.560 . 4.560 2.653 1.396 4.370 . 0 0 "[ . 1 . 2]" 1
1096 1 37 ASN QD 1 48 ASP H 4.090 . 4.090 3.415 2.729 4.017 . 0 0 "[ . 1 . 2]" 1
1097 1 37 ASN QD 1 48 ASP QB 3.970 . 3.970 3.152 1.602 3.976 0.006 13 0 "[ . 1 . 2]" 1
1098 1 38 ALA H 1 39 ILE H 5.580 . 5.580 4.337 4.228 4.417 . 0 0 "[ . 1 . 2]" 1
1099 1 38 ALA H 1 39 ILE HG13 6.250 . 6.250 4.911 4.719 5.030 . 0 0 "[ . 1 . 2]" 1
1100 1 38 ALA H 1 46 ASP HB3 4.640 . 4.640 3.954 2.896 4.784 0.144 1 0 "[ . 1 . 2]" 1
1101 1 38 ALA H 1 47 LYS H 3.830 . 3.830 2.607 1.845 3.195 . 0 0 "[ . 1 . 2]" 1
1102 1 38 ALA H 1 47 LYS HB2 4.490 . 4.490 2.577 1.366 4.553 0.063 16 0 "[ . 1 . 2]" 1
1103 1 38 ALA H 1 47 LYS QB 3.850 . 3.850 2.194 1.362 3.672 . 0 0 "[ . 1 . 2]" 1
1104 1 38 ALA H 1 47 LYS HB3 4.490 . 4.490 2.771 1.816 4.060 . 0 0 "[ . 1 . 2]" 1
1105 1 38 ALA HA 1 39 ILE H 3.170 . 3.170 2.360 2.221 2.494 . 0 0 "[ . 1 . 2]" 1
1106 1 38 ALA MB 1 39 ILE H 3.370 . 3.370 2.580 2.318 2.838 . 0 0 "[ . 1 . 2]" 1
1107 1 38 ALA MB 1 39 ILE HG12 5.280 . 5.280 5.295 5.199 5.395 0.115 8 0 "[ . 1 . 2]" 1
1108 1 38 ALA MB 1 39 ILE HG13 5.480 . 5.480 4.382 4.200 4.506 . 0 0 "[ . 1 . 2]" 1
1109 1 38 ALA MB 1 47 LYS H 4.050 . 4.050 3.839 3.482 4.212 0.162 1 0 "[ . 1 . 2]" 1
1110 1 38 ALA MB 1 47 LYS QB 4.140 . 4.140 2.655 1.928 3.596 . 0 0 "[ . 1 . 2]" 1
1111 1 38 ALA MB 1 47 LYS QD 5.400 . 5.400 3.336 1.813 4.385 . 0 0 "[ . 1 . 2]" 1
1112 1 38 ALA MB 1 47 LYS QE 3.890 . 3.890 2.951 1.763 4.184 0.294 12 0 "[ . 1 . 2]" 1
1113 1 38 ALA MB 1 47 LYS QG 5.040 . 5.040 3.326 1.843 4.651 . 0 0 "[ . 1 . 2]" 1
1114 1 38 ALA MB 1 48 ASP H 6.300 . 6.300 5.582 4.965 6.087 . 0 0 "[ . 1 . 2]" 1
1115 1 38 ALA MB 1 56 TYR QE 6.090 . 6.090 5.420 4.731 6.003 . 0 0 "[ . 1 . 2]" 1
1116 1 38 ALA MB 1 67 GLU QG 6.100 . 6.100 4.317 2.030 6.097 . 0 0 "[ . 1 . 2]" 1
1117 1 38 ALA MB 1 68 TRP HD1 5.030 . 5.030 4.111 2.914 5.056 0.026 10 0 "[ . 1 . 2]" 1
1118 1 39 ILE H 1 39 ILE HB 3.830 . 3.830 2.765 2.635 2.885 . 0 0 "[ . 1 . 2]" 1
1119 1 39 ILE H 1 39 ILE MD 4.500 . 4.500 3.764 3.653 4.016 . 0 0 "[ . 1 . 2]" 1
1120 1 39 ILE H 1 39 ILE HG12 3.910 . 3.910 3.635 3.388 3.919 0.009 13 0 "[ . 1 . 2]" 1
1121 1 39 ILE H 1 39 ILE HG13 3.810 . 3.810 2.375 2.157 2.723 . 0 0 "[ . 1 . 2]" 1
1122 1 39 ILE H 1 39 ILE MG 4.360 . 4.360 3.889 3.847 3.961 . 0 0 "[ . 1 . 2]" 1
1123 1 39 ILE H 1 40 ASN H 4.920 . 4.920 4.459 4.349 4.550 . 0 0 "[ . 1 . 2]" 1
1124 1 39 ILE H 1 47 LYS H 6.200 . 6.200 5.025 4.769 5.242 . 0 0 "[ . 1 . 2]" 1
1125 1 39 ILE HA 1 39 ILE MD 4.450 . 4.450 3.952 3.872 4.019 . 0 0 "[ . 1 . 2]" 1
1126 1 39 ILE HA 1 39 ILE MG 3.510 . 3.510 2.295 2.228 2.388 . 0 0 "[ . 1 . 2]" 1
1127 1 39 ILE HA 1 40 ASN H 3.120 . 3.120 2.229 2.110 2.325 . 0 0 "[ . 1 . 2]" 1
1128 1 39 ILE HA 1 40 ASN HB3 5.500 . 5.500 4.816 4.615 4.945 . 0 0 "[ . 1 . 2]" 1
1129 1 39 ILE HB 1 39 ILE MD 3.660 . 3.660 2.393 2.310 2.437 . 0 0 "[ . 1 . 2]" 1
1130 1 39 ILE HB 1 40 ASN H 4.180 . 4.180 3.983 3.780 4.233 0.053 8 0 "[ . 1 . 2]" 1
1131 1 39 ILE MD 1 39 ILE MG 3.860 . 3.860 1.999 1.959 2.069 . 0 0 "[ . 1 . 2]" 1
1132 1 39 ILE MD 1 40 ASN H 5.430 . 5.430 5.187 5.053 5.427 . 0 0 "[ . 1 . 2]" 1
1133 1 39 ILE HG12 1 39 ILE MG 3.140 . 3.140 2.345 2.289 2.415 . 0 0 "[ . 1 . 2]" 1
1134 1 39 ILE HG12 1 40 ASN H 5.330 . 5.330 4.710 4.519 5.034 . 0 0 "[ . 1 . 2]" 1
1135 1 39 ILE HG13 1 40 ASN H 6.300 . 6.300 5.155 5.080 5.241 . 0 0 "[ . 1 . 2]" 1
1136 1 39 ILE MG 1 40 ASN H 3.780 . 3.780 2.567 2.321 2.977 . 0 0 "[ . 1 . 2]" 1
1137 1 39 ILE MG 1 46 ASP HA 5.250 . 5.250 3.329 2.536 4.411 . 0 0 "[ . 1 . 2]" 1
1138 1 39 ILE MG 1 46 ASP HB2 5.160 . 5.160 5.032 3.865 5.288 0.128 11 0 "[ . 1 . 2]" 1
1139 1 39 ILE MG 1 46 ASP HB3 5.290 . 5.290 4.861 4.126 5.334 0.044 3 0 "[ . 1 . 2]" 1
1140 1 40 ASN H 1 40 ASN HB2 3.560 . 3.560 2.585 2.311 2.813 . 0 0 "[ . 1 . 2]" 1
1141 1 40 ASN H 1 40 ASN HB3 3.510 . 3.510 2.616 2.485 2.762 . 0 0 "[ . 1 . 2]" 1
1142 1 40 ASN H 1 40 ASN HD21 6.140 . 6.140 4.525 4.290 4.714 . 0 0 "[ . 1 . 2]" 1
1143 1 40 ASN H 1 40 ASN QD 5.400 . 5.400 4.368 4.162 4.536 . 0 0 "[ . 1 . 2]" 1
1144 1 40 ASN H 1 40 ASN HD22 6.140 . 6.140 5.757 5.616 5.898 . 0 0 "[ . 1 . 2]" 1
1145 1 40 ASN H 1 42 ASP H 6.030 . 6.030 5.743 5.285 6.043 0.013 14 0 "[ . 1 . 2]" 1
1146 1 40 ASN H 1 43 GLY H 5.490 . 5.490 5.019 4.478 5.569 0.079 4 0 "[ . 1 . 2]" 1
1147 1 40 ASN H 1 43 GLY QA 6.100 . 6.100 5.210 4.491 6.145 0.045 5 0 "[ . 1 . 2]" 1
1148 1 40 ASN H 1 46 ASP HA 4.750 . 4.750 3.308 2.832 3.932 . 0 0 "[ . 1 . 2]" 1
1149 1 40 ASN HA 1 40 ASN HD21 4.730 . 4.730 2.672 1.713 4.089 . 0 0 "[ . 1 . 2]" 1
1150 1 40 ASN HA 1 40 ASN QD 3.990 . 3.990 2.608 1.708 3.761 . 0 0 "[ . 1 . 2]" 1
1151 1 40 ASN HA 1 40 ASN HD22 4.730 . 4.730 3.752 3.332 4.392 . 0 0 "[ . 1 . 2]" 1
1152 1 40 ASN HA 1 41 LYS H 3.130 . 3.130 2.139 2.067 2.206 . 0 0 "[ . 1 . 2]" 1
1153 1 40 ASN HA 1 41 LYS HA 5.470 . 5.470 4.312 4.256 4.385 . 0 0 "[ . 1 . 2]" 1
1154 1 40 ASN HB2 1 41 LYS H 4.790 . 4.790 4.121 3.993 4.260 . 0 0 "[ . 1 . 2]" 1
1155 1 40 ASN HB2 1 42 ASP H 5.860 . 5.860 4.853 4.429 5.128 . 0 0 "[ . 1 . 2]" 1
1156 1 40 ASN HB2 1 43 GLY H 5.110 . 5.110 4.546 4.130 4.944 . 0 0 "[ . 1 . 2]" 1
1157 1 40 ASN HB2 1 44 GLY H 5.750 . 5.750 4.510 3.816 5.149 . 0 0 "[ . 1 . 2]" 1
1158 1 40 ASN HB3 1 41 LYS H 4.700 . 4.700 3.928 3.794 4.142 . 0 0 "[ . 1 . 2]" 1
1159 1 40 ASN HB3 1 42 ASP H 4.140 . 4.140 3.944 3.208 4.200 0.060 1 0 "[ . 1 . 2]" 1
1160 1 40 ASN HB3 1 42 ASP QB 5.450 . 5.450 4.284 2.577 5.022 . 0 0 "[ . 1 . 2]" 1
1161 1 40 ASN HB3 1 43 GLY H 3.830 . 3.830 3.009 2.617 3.478 . 0 0 "[ . 1 . 2]" 1
1162 1 40 ASN HB3 1 44 GLY H 5.080 . 5.080 2.924 2.309 3.508 . 0 0 "[ . 1 . 2]" 1
1163 1 40 ASN QD 1 41 LYS H 5.070 . 5.070 3.303 2.345 4.472 . 0 0 "[ . 1 . 2]" 1
1164 1 40 ASN QD 1 42 ASP H 4.580 . 4.580 3.625 3.181 4.043 . 0 0 "[ . 1 . 2]" 1
1165 1 40 ASN QD 1 43 GLY H 6.100 . 6.100 4.538 4.099 5.568 . 0 0 "[ . 1 . 2]" 1
1166 1 40 ASN QD 1 50 LEU MD1 4.730 . 4.730 3.239 1.975 4.433 . 0 0 "[ . 1 . 2]" 1
1167 1 40 ASN QD 1 56 TYR QE 5.720 . 5.720 5.337 4.563 5.849 0.129 5 0 "[ . 1 . 2]" 1
1168 1 40 ASN HD21 1 42 ASP H 5.280 . 5.280 4.531 3.681 4.956 . 0 0 "[ . 1 . 2]" 1
1169 1 40 ASN HD21 1 50 LEU MD1 5.570 . 5.570 3.446 1.991 4.732 . 0 0 "[ . 1 . 2]" 1
1170 1 40 ASN HD22 1 42 ASP H 5.280 . 5.280 3.820 3.326 4.327 . 0 0 "[ . 1 . 2]" 1
1171 1 40 ASN HD22 1 50 LEU MD1 5.570 . 5.570 4.003 3.060 5.350 . 0 0 "[ . 1 . 2]" 1
1172 1 41 LYS H 1 41 LYS HB2 3.510 . 3.510 2.433 2.296 2.591 . 0 0 "[ . 1 . 2]" 1
1173 1 41 LYS H 1 41 LYS HB3 3.380 . 3.380 2.516 2.406 2.641 . 0 0 "[ . 1 . 2]" 1
1174 1 41 LYS H 1 41 LYS QD 5.070 . 5.070 4.308 4.194 4.408 . 0 0 "[ . 1 . 2]" 1
1175 1 41 LYS H 1 41 LYS QE 6.300 . 6.300 5.915 5.757 6.073 . 0 0 "[ . 1 . 2]" 1
1176 1 41 LYS H 1 41 LYS QG 4.910 . 4.910 3.946 3.903 3.986 . 0 0 "[ . 1 . 2]" 1
1177 1 41 LYS H 1 42 ASP H 3.540 . 3.540 2.664 2.419 2.895 . 0 0 "[ . 1 . 2]" 1
1178 1 41 LYS H 1 42 ASP QB 5.750 . 5.750 4.394 4.095 4.734 . 0 0 "[ . 1 . 2]" 1
1179 1 41 LYS H 1 43 GLY H 4.880 . 4.880 4.225 3.946 4.479 . 0 0 "[ . 1 . 2]" 1
1180 1 41 LYS H 1 59 VAL MG1 4.560 . 4.560 3.839 3.127 4.455 . 0 0 "[ . 1 . 2]" 1
1181 1 41 LYS HA 1 41 LYS QD 5.130 . 5.130 4.036 3.972 4.096 . 0 0 "[ . 1 . 2]" 1
1182 1 41 LYS HA 1 41 LYS QE 5.380 . 5.380 4.757 4.487 5.019 . 0 0 "[ . 1 . 2]" 1
1183 1 41 LYS HA 1 42 ASP HA 6.050 . 6.050 4.785 4.652 4.986 . 0 0 "[ . 1 . 2]" 1
1184 1 41 LYS HA 1 43 GLY H 4.590 . 4.590 4.402 3.897 4.713 0.123 14 0 "[ . 1 . 2]" 1
1185 1 41 LYS HB2 1 41 LYS QD 3.890 . 3.890 2.422 2.318 2.542 . 0 0 "[ . 1 . 2]" 1
1186 1 41 LYS HB2 1 41 LYS QE 5.070 . 5.070 3.991 3.819 4.227 . 0 0 "[ . 1 . 2]" 1
1187 1 41 LYS HB2 1 42 ASP H 4.590 . 4.590 3.885 3.634 4.060 . 0 0 "[ . 1 . 2]" 1
1188 1 41 LYS HB3 1 41 LYS QD 3.830 . 3.830 2.325 2.234 2.449 . 0 0 "[ . 1 . 2]" 1
1189 1 41 LYS HB3 1 42 ASP H 3.900 . 3.900 2.675 2.291 3.014 . 0 0 "[ . 1 . 2]" 1
1190 1 41 LYS HB3 1 59 VAL MG1 4.070 . 4.070 2.684 2.138 3.366 . 0 0 "[ . 1 . 2]" 1
1191 1 41 LYS QD 1 59 VAL MG1 3.600 . 3.600 2.858 1.900 3.344 . 0 0 "[ . 1 . 2]" 1
1192 1 41 LYS QD 1 59 VAL MG2 4.460 . 4.460 2.952 2.205 3.805 . 0 0 "[ . 1 . 2]" 1
1193 1 41 LYS HD2 1 42 ASP H 6.300 . 6.300 5.612 5.165 6.032 . 0 0 "[ . 1 . 2]" 1
1194 1 41 LYS HD2 1 59 VAL MG1 4.250 . 4.250 4.100 3.080 4.345 0.095 8 0 "[ . 1 . 2]" 1
1195 1 41 LYS HD3 1 42 ASP H 6.300 . 6.300 4.794 4.320 5.445 . 0 0 "[ . 1 . 2]" 1
1196 1 41 LYS HD3 1 59 VAL MG1 4.250 . 4.250 2.922 1.918 3.486 . 0 0 "[ . 1 . 2]" 1
1197 1 41 LYS QG 1 42 ASP H 4.430 . 4.430 3.788 3.425 4.106 . 0 0 "[ . 1 . 2]" 1
1198 1 42 ASP H 1 42 ASP HB2 3.510 . 3.510 2.591 2.431 2.796 . 0 0 "[ . 1 . 2]" 1
1199 1 42 ASP H 1 42 ASP QB 2.940 . 2.940 2.232 2.131 2.309 . 0 0 "[ . 1 . 2]" 1
1200 1 42 ASP H 1 42 ASP HB3 3.510 . 3.510 2.454 2.210 2.654 . 0 0 "[ . 1 . 2]" 1
1201 1 42 ASP H 1 43 GLY H 3.300 . 3.300 2.565 2.295 2.878 . 0 0 "[ . 1 . 2]" 1
1202 1 42 ASP H 1 43 GLY QA 5.380 . 5.380 4.446 4.213 4.631 . 0 0 "[ . 1 . 2]" 1
1203 1 42 ASP H 1 59 VAL MG1 4.350 . 4.350 3.330 2.650 4.439 0.089 12 0 "[ . 1 . 2]" 1
1204 1 42 ASP HA 1 44 GLY H 6.020 . 6.020 4.990 4.636 5.603 . 0 0 "[ . 1 . 2]" 1
1205 1 42 ASP QB 1 43 GLY H 4.020 . 4.020 2.716 2.587 2.873 . 0 0 "[ . 1 . 2]" 1
1206 1 42 ASP QB 1 44 GLY H 6.100 . 6.100 3.971 2.754 5.120 . 0 0 "[ . 1 . 2]" 1
1207 1 42 ASP QB 1 59 VAL MG1 4.190 . 4.190 2.818 1.802 4.243 0.053 2 0 "[ . 1 . 2]" 1
1208 1 42 ASP HB2 1 43 GLY H 4.830 . 4.830 3.977 3.873 4.144 . 0 0 "[ . 1 . 2]" 1
1209 1 42 ASP HB3 1 43 GLY H 4.830 . 4.830 2.766 2.626 2.954 . 0 0 "[ . 1 . 2]" 1
1210 1 43 GLY H 1 44 GLY H 3.720 . 3.720 2.292 1.722 2.774 . 0 0 "[ . 1 . 2]" 1
1211 1 44 GLY H 1 45 ASP HA 6.300 . 6.300 5.065 4.877 5.540 . 0 0 "[ . 1 . 2]" 1
1212 1 44 GLY QA 1 45 ASP H 2.930 . 2.930 2.454 2.108 2.916 . 0 0 "[ . 1 . 2]" 1
1213 1 45 ASP H 1 45 ASP HB2 3.180 . 3.180 2.529 2.347 2.650 . 0 0 "[ . 1 . 2]" 1
1214 1 45 ASP H 1 45 ASP HB3 4.200 . 4.200 3.588 2.956 3.790 . 0 0 "[ . 1 . 2]" 1
1215 1 45 ASP H 1 50 LEU MD1 4.480 . 4.480 2.981 2.221 4.345 . 0 0 "[ . 1 . 2]" 1
1216 1 45 ASP H 1 50 LEU MD2 4.900 . 4.900 2.688 1.851 4.245 . 0 0 "[ . 1 . 2]" 1
1217 1 45 ASP H 1 50 LEU HG 4.940 . 4.940 3.344 2.304 4.540 . 0 0 "[ . 1 . 2]" 1
1218 1 45 ASP HA 1 46 ASP H 2.950 . 2.950 2.609 2.315 2.917 . 0 0 "[ . 1 . 2]" 1
1219 1 45 ASP HA 1 46 ASP HB2 5.510 . 5.510 4.874 4.187 5.701 0.191 20 0 "[ . 1 . 2]" 1
1220 1 45 ASP HA 1 49 THR HB 5.380 . 5.380 4.167 3.427 4.895 . 0 0 "[ . 1 . 2]" 1
1221 1 45 ASP HA 1 49 THR MG 5.410 . 5.410 4.495 3.710 5.245 . 0 0 "[ . 1 . 2]" 1
1222 1 45 ASP HA 1 50 LEU H 6.110 . 6.110 5.783 5.268 6.206 0.096 10 0 "[ . 1 . 2]" 1
1223 1 45 ASP HB2 1 46 ASP H 4.020 . 4.020 3.315 2.744 3.810 . 0 0 "[ . 1 . 2]" 1
1224 1 45 ASP HB2 1 49 THR HB 4.840 . 4.840 3.136 2.484 4.501 . 0 0 "[ . 1 . 2]" 1
1225 1 45 ASP HB2 1 49 THR MG 4.510 . 4.510 3.733 3.123 4.526 0.016 9 0 "[ . 1 . 2]" 1
1226 1 45 ASP HB2 1 50 LEU QB 5.500 . 5.500 4.287 3.394 5.465 . 0 0 "[ . 1 . 2]" 1
1227 1 45 ASP HB2 1 50 LEU MD1 4.190 . 4.190 3.567 2.990 4.153 . 0 0 "[ . 1 . 2]" 1
1228 1 45 ASP HB2 1 50 LEU MD2 4.340 . 4.340 2.409 2.072 3.056 . 0 0 "[ . 1 . 2]" 1
1229 1 45 ASP HB2 1 50 LEU HG 4.870 . 4.870 2.408 1.637 3.627 . 0 0 "[ . 1 . 2]" 1
1230 1 45 ASP HB3 1 46 ASP H 3.530 . 3.530 2.099 1.665 2.615 . 0 0 "[ . 1 . 2]" 1
1231 1 45 ASP HB3 1 49 THR HB 4.390 . 4.390 1.875 1.471 3.099 . 0 0 "[ . 1 . 2]" 1
1232 1 45 ASP HB3 1 49 THR MG 4.090 . 4.090 2.867 2.305 3.871 . 0 0 "[ . 1 . 2]" 1
1233 1 45 ASP HB3 1 50 LEU H 4.730 . 4.730 3.609 3.249 4.043 . 0 0 "[ . 1 . 2]" 1
1234 1 45 ASP HB3 1 50 LEU MD2 3.910 . 3.910 3.494 2.635 3.934 0.024 11 0 "[ . 1 . 2]" 1
1235 1 45 ASP HB3 1 50 LEU HG 4.910 . 4.910 3.093 2.041 3.686 . 0 0 "[ . 1 . 2]" 1
1236 1 46 ASP H 1 46 ASP HB2 3.600 . 3.600 2.448 2.187 3.579 . 0 0 "[ . 1 . 2]" 1
1237 1 46 ASP H 1 46 ASP HB3 3.940 . 3.940 3.479 2.693 3.654 . 0 0 "[ . 1 . 2]" 1
1238 1 46 ASP H 1 48 ASP H 5.410 . 5.410 5.082 4.745 5.348 . 0 0 "[ . 1 . 2]" 1
1239 1 46 ASP H 1 49 THR HA 5.990 . 5.990 5.263 4.873 5.799 . 0 0 "[ . 1 . 2]" 1
1240 1 46 ASP H 1 49 THR HB 4.020 . 4.020 2.580 2.049 3.029 . 0 0 "[ . 1 . 2]" 1
1241 1 46 ASP H 1 49 THR MG 4.490 . 4.490 3.807 3.341 4.285 . 0 0 "[ . 1 . 2]" 1
1242 1 46 ASP H 1 50 LEU HG 4.980 . 4.980 3.917 3.577 4.560 . 0 0 "[ . 1 . 2]" 1
1243 1 46 ASP HA 1 47 LYS H 3.430 . 3.430 2.503 2.325 2.728 . 0 0 "[ . 1 . 2]" 1
1244 1 46 ASP HA 1 47 LYS HA 5.520 . 5.520 4.363 4.240 4.457 . 0 0 "[ . 1 . 2]" 1
1245 1 46 ASP HA 1 50 LEU H 5.720 . 5.720 4.954 4.698 5.116 . 0 0 "[ . 1 . 2]" 1
1246 1 46 ASP HB2 1 47 LYS H 4.710 . 4.710 3.501 1.860 3.954 . 0 0 "[ . 1 . 2]" 1
1247 1 46 ASP HB2 1 48 ASP H 4.470 . 4.470 3.483 2.915 4.463 . 0 0 "[ . 1 . 2]" 1
1248 1 46 ASP HB2 1 49 THR H 5.910 . 5.910 2.889 1.975 3.843 . 0 0 "[ . 1 . 2]" 1
1249 1 46 ASP HB2 1 49 THR HA 6.300 . 6.300 5.280 4.372 6.595 0.295 20 0 "[ . 1 . 2]" 1
1250 1 46 ASP HB2 1 49 THR MG 6.080 . 6.080 4.678 4.134 6.083 0.003 20 0 "[ . 1 . 2]" 1
1251 1 46 ASP HB3 1 47 LYS H 3.630 . 3.630 2.441 1.881 3.350 . 0 0 "[ . 1 . 2]" 1
1252 1 46 ASP HB3 1 48 ASP H 4.600 . 4.600 2.902 2.302 4.584 . 0 0 "[ . 1 . 2]" 1
1253 1 46 ASP HB3 1 49 THR H 6.280 . 6.280 3.529 2.179 4.740 . 0 0 "[ . 1 . 2]" 1
1254 1 47 LYS H 1 47 LYS HB2 3.990 . 3.990 2.488 2.067 3.658 . 0 0 "[ . 1 . 2]" 1
1255 1 47 LYS H 1 47 LYS QB 3.500 . 3.500 2.229 2.045 2.706 . 0 0 "[ . 1 . 2]" 1
1256 1 47 LYS H 1 47 LYS HB3 3.990 . 3.990 2.754 2.448 3.601 . 0 0 "[ . 1 . 2]" 1
1257 1 47 LYS H 1 47 LYS QD 5.920 . 5.920 4.211 3.469 4.699 . 0 0 "[ . 1 . 2]" 1
1258 1 47 LYS H 1 47 LYS QE 5.590 . 5.590 4.793 4.017 5.797 0.207 10 0 "[ . 1 . 2]" 1
1259 1 47 LYS H 1 47 LYS HG2 5.330 . 5.330 4.066 2.465 4.601 . 0 0 "[ . 1 . 2]" 1
1260 1 47 LYS H 1 47 LYS QG 4.500 . 4.500 3.608 2.035 4.051 . 0 0 "[ . 1 . 2]" 1
1261 1 47 LYS H 1 47 LYS HG3 5.330 . 5.330 4.213 2.050 4.508 . 0 0 "[ . 1 . 2]" 1
1262 1 47 LYS H 1 48 ASP H 3.940 . 3.940 2.718 2.513 3.035 . 0 0 "[ . 1 . 2]" 1
1263 1 47 LYS HA 1 50 LEU H 4.660 . 4.660 3.669 3.076 4.192 . 0 0 "[ . 1 . 2]" 1
1264 1 47 LYS HA 1 50 LEU HB2 4.790 . 4.790 2.888 2.222 3.525 . 0 0 "[ . 1 . 2]" 1
1265 1 47 LYS HA 1 50 LEU HB3 4.790 . 4.790 4.482 3.862 4.901 0.111 20 0 "[ . 1 . 2]" 1
1266 1 47 LYS HA 1 50 LEU MD1 4.020 . 4.020 3.335 1.823 3.978 . 0 0 "[ . 1 . 2]" 1
1267 1 47 LYS HA 1 50 LEU HG 5.910 . 5.910 4.278 3.202 5.361 . 0 0 "[ . 1 . 2]" 1
1268 1 47 LYS QB 1 48 ASP H 4.020 . 4.020 2.668 2.244 3.673 . 0 0 "[ . 1 . 2]" 1
1269 1 47 LYS HB2 1 48 ASP H 4.840 . 4.840 3.646 2.424 4.175 . 0 0 "[ . 1 . 2]" 1
1270 1 47 LYS HB3 1 48 ASP H 4.840 . 4.840 2.852 2.265 4.277 . 0 0 "[ . 1 . 2]" 1
1271 1 47 LYS QD 1 56 TYR QE 6.100 . 6.100 3.505 2.145 5.429 . 0 0 "[ . 1 . 2]" 1
1272 1 47 LYS QE 1 56 TYR QE 4.060 . 4.060 3.027 1.950 4.120 0.060 18 0 "[ . 1 . 2]" 1
1273 1 47 LYS HE2 1 56 TYR QE 4.800 . 4.800 3.403 2.034 4.504 . 0 0 "[ . 1 . 2]" 1
1274 1 47 LYS HE3 1 56 TYR QE 4.800 . 4.800 3.769 2.032 4.874 0.074 16 0 "[ . 1 . 2]" 1
1275 1 47 LYS QG 1 48 ASP H 4.770 . 4.770 3.760 2.440 4.636 . 0 0 "[ . 1 . 2]" 1
1276 1 47 LYS QG 1 56 TYR QE 5.850 . 5.850 3.840 1.796 5.076 . 0 0 "[ . 1 . 2]" 1
1277 1 48 ASP H 1 48 ASP HB2 3.620 . 3.620 2.569 2.242 3.627 0.007 7 0 "[ . 1 . 2]" 1
1278 1 48 ASP H 1 48 ASP QB 3.160 . 3.160 2.233 2.130 2.594 . 0 0 "[ . 1 . 2]" 1
1279 1 48 ASP H 1 48 ASP HB3 3.620 . 3.620 2.531 2.227 3.584 . 0 0 "[ . 1 . 2]" 1
1280 1 48 ASP H 1 49 THR H 4.120 . 4.120 2.733 2.416 2.944 . 0 0 "[ . 1 . 2]" 1
1281 1 48 ASP H 1 49 THR HA 5.790 . 5.790 5.323 5.043 5.491 . 0 0 "[ . 1 . 2]" 1
1282 1 48 ASP H 1 49 THR HB 6.130 . 6.130 5.237 4.938 5.541 . 0 0 "[ . 1 . 2]" 1
1283 1 48 ASP H 1 50 LEU MD1 6.300 . 6.300 5.850 4.839 6.297 . 0 0 "[ . 1 . 2]" 1
1284 1 48 ASP H 1 51 SER H 5.030 . 5.030 4.847 4.621 5.040 0.010 5 0 "[ . 1 . 2]" 1
1285 1 48 ASP H 1 51 SER QB 6.300 . 6.300 5.196 4.764 5.793 . 0 0 "[ . 1 . 2]" 1
1286 1 48 ASP HA 1 51 SER H 5.040 . 5.040 3.893 3.481 4.402 . 0 0 "[ . 1 . 2]" 1
1287 1 48 ASP QB 1 49 THR H 3.930 . 3.930 2.492 2.238 3.534 . 0 0 "[ . 1 . 2]" 1
1288 1 48 ASP HB2 1 49 THR H 4.660 . 4.660 3.758 2.805 3.933 . 0 0 "[ . 1 . 2]" 1
1289 1 48 ASP HB3 1 49 THR H 4.660 . 4.660 2.593 2.261 4.026 . 0 0 "[ . 1 . 2]" 1
1290 1 49 THR H 1 49 THR HB 3.830 . 3.830 2.737 2.542 2.920 . 0 0 "[ . 1 . 2]" 1
1291 1 49 THR H 1 49 THR MG 4.240 . 4.240 3.726 3.681 3.791 . 0 0 "[ . 1 . 2]" 1
1292 1 49 THR H 1 50 LEU H 3.830 . 3.830 2.613 2.516 2.733 . 0 0 "[ . 1 . 2]" 1
1293 1 49 THR H 1 50 LEU QB 6.100 . 6.100 4.582 4.272 4.816 . 0 0 "[ . 1 . 2]" 1
1294 1 49 THR H 1 50 LEU HG 5.510 . 5.510 4.757 4.301 5.315 . 0 0 "[ . 1 . 2]" 1
1295 1 49 THR HA 1 49 THR MG 3.510 . 3.510 2.267 2.170 2.346 . 0 0 "[ . 1 . 2]" 1
1296 1 49 THR HA 1 51 SER H 6.180 . 6.180 4.345 4.196 4.598 . 0 0 "[ . 1 . 2]" 1
1297 1 49 THR HA 1 52 ARG QB 4.280 . 4.280 2.717 2.233 3.950 . 0 0 "[ . 1 . 2]" 1
1298 1 49 THR HA 1 53 ASN H 4.910 . 4.910 4.261 4.036 4.583 . 0 0 "[ . 1 . 2]" 1
1299 1 49 THR HA 1 53 ASN QB 5.790 . 5.790 5.244 4.121 5.660 . 0 0 "[ . 1 . 2]" 1
1300 1 49 THR HA 1 53 ASN HD21 5.740 . 5.740 4.727 3.330 5.842 0.102 1 0 "[ . 1 . 2]" 1
1301 1 49 THR HA 1 53 ASN HD22 5.740 . 5.740 4.871 4.267 5.783 0.043 5 0 "[ . 1 . 2]" 1
1302 1 49 THR HB 1 50 LEU H 3.840 . 3.840 2.774 2.483 3.059 . 0 0 "[ . 1 . 2]" 1
1303 1 49 THR HB 1 50 LEU MD2 5.660 . 5.660 4.107 3.223 4.792 . 0 0 "[ . 1 . 2]" 1
1304 1 49 THR MG 1 50 LEU H 4.330 . 4.330 3.888 3.586 4.172 . 0 0 "[ . 1 . 2]" 1
1305 1 49 THR MG 1 50 LEU HA 5.110 . 5.110 4.083 3.506 4.489 . 0 0 "[ . 1 . 2]" 1
1306 1 49 THR MG 1 51 SER H 6.030 . 6.030 5.289 5.135 5.356 . 0 0 "[ . 1 . 2]" 1
1307 1 49 THR MG 1 53 ASN H 4.370 . 4.370 4.225 3.965 4.385 0.015 20 0 "[ . 1 . 2]" 1
1308 1 49 THR MG 1 53 ASN QB 6.170 . 6.170 4.011 2.756 4.436 . 0 0 "[ . 1 . 2]" 1
1309 1 49 THR MG 1 53 ASN HD21 3.590 . 3.590 2.830 2.241 3.558 . 0 0 "[ . 1 . 2]" 1
1310 1 49 THR MG 1 53 ASN HD22 3.590 . 3.590 2.535 2.146 3.415 . 0 0 "[ . 1 . 2]" 1
1311 1 50 LEU H 1 50 LEU HB2 4.200 . 4.200 2.376 2.154 2.523 . 0 0 "[ . 1 . 2]" 1
1312 1 50 LEU H 1 50 LEU HB3 4.200 . 4.200 3.592 3.459 3.634 . 0 0 "[ . 1 . 2]" 1
1313 1 50 LEU H 1 50 LEU MD1 4.780 . 4.780 3.790 3.471 3.931 . 0 0 "[ . 1 . 2]" 1
1314 1 50 LEU H 1 50 LEU MD2 4.990 . 4.990 3.557 3.214 3.921 . 0 0 "[ . 1 . 2]" 1
1315 1 50 LEU H 1 50 LEU HG 3.510 . 3.510 2.657 2.374 3.119 . 0 0 "[ . 1 . 2]" 1
1316 1 50 LEU H 1 51 SER H 4.200 . 4.200 2.646 2.589 2.733 . 0 0 "[ . 1 . 2]" 1
1317 1 50 LEU H 1 51 SER HA 6.300 . 6.300 5.269 5.232 5.327 . 0 0 "[ . 1 . 2]" 1
1318 1 50 LEU H 1 53 ASN H 5.490 . 5.490 4.764 4.601 4.909 . 0 0 "[ . 1 . 2]" 1
1319 1 50 LEU H 1 55 GLY H 6.300 . 6.300 5.873 5.676 6.275 . 0 0 "[ . 1 . 2]" 1
1320 1 50 LEU HA 1 50 LEU MD2 3.330 . 3.330 1.912 1.800 2.107 . 0 0 "[ . 1 . 2]" 1
1321 1 50 LEU HA 1 50 LEU HG 4.480 . 4.480 2.993 2.750 3.207 . 0 0 "[ . 1 . 2]" 1
1322 1 50 LEU HA 1 53 ASN H 4.160 . 4.160 3.318 3.001 3.586 . 0 0 "[ . 1 . 2]" 1
1323 1 50 LEU HA 1 53 ASN QB 4.450 . 4.450 2.779 2.532 3.106 . 0 0 "[ . 1 . 2]" 1
1324 1 50 LEU HA 1 53 ASN QD 4.760 . 4.760 3.403 2.986 4.512 . 0 0 "[ . 1 . 2]" 1
1325 1 50 LEU QB 1 55 GLY QA 5.890 . 5.890 3.945 3.591 4.320 . 0 0 "[ . 1 . 2]" 1
1326 1 50 LEU QB 1 56 TYR H 5.910 . 5.910 3.525 2.092 4.108 . 0 0 "[ . 1 . 2]" 1
1327 1 50 LEU QB 1 56 TYR HA 5.130 . 5.130 2.296 1.764 3.081 . 0 0 "[ . 1 . 2]" 1
1328 1 50 LEU QB 1 56 TYR QB 4.170 . 4.170 3.123 2.240 4.101 . 0 0 "[ . 1 . 2]" 1
1329 1 50 LEU QB 1 56 TYR QD 4.750 . 4.750 3.418 2.622 4.535 . 0 0 "[ . 1 . 2]" 1
1330 1 50 LEU HB2 1 51 SER H 4.690 . 4.690 2.906 2.778 3.033 . 0 0 "[ . 1 . 2]" 1
1331 1 50 LEU HB2 1 54 GLY H 6.300 . 6.300 5.906 5.509 6.236 . 0 0 "[ . 1 . 2]" 1
1332 1 50 LEU HB2 1 56 TYR HA 5.860 . 5.860 3.486 2.988 4.412 . 0 0 "[ . 1 . 2]" 1
1333 1 50 LEU HB2 1 56 TYR QD 5.510 . 5.510 3.885 2.807 5.496 . 0 0 "[ . 1 . 2]" 1
1334 1 50 LEU HB3 1 51 SER H 4.690 . 4.690 3.653 3.380 3.850 . 0 0 "[ . 1 . 2]" 1
1335 1 50 LEU HB3 1 54 GLY H 6.300 . 6.300 4.992 4.641 5.339 . 0 0 "[ . 1 . 2]" 1
1336 1 50 LEU HB3 1 56 TYR HA 5.860 . 5.860 2.332 1.774 3.145 . 0 0 "[ . 1 . 2]" 1
1337 1 50 LEU HB3 1 56 TYR QD 5.510 . 5.510 3.817 3.144 4.831 . 0 0 "[ . 1 . 2]" 1
1338 1 50 LEU MD1 1 51 SER H 6.300 . 6.300 4.793 4.534 4.906 . 0 0 "[ . 1 . 2]" 1
1339 1 50 LEU MD1 1 56 TYR HA 4.610 . 4.610 2.633 1.907 3.162 . 0 0 "[ . 1 . 2]" 1
1340 1 50 LEU MD1 1 56 TYR QB 5.120 . 5.120 4.199 3.591 4.674 . 0 0 "[ . 1 . 2]" 1
1341 1 50 LEU MD1 1 56 TYR QD 4.130 . 4.130 3.741 2.920 4.309 0.179 17 0 "[ . 1 . 2]" 1
1342 1 50 LEU MD1 1 56 TYR QE 6.300 . 6.300 4.963 4.234 5.563 . 0 0 "[ . 1 . 2]" 1
1343 1 50 LEU MD2 1 51 SER H 6.300 . 6.300 4.717 4.656 4.787 . 0 0 "[ . 1 . 2]" 1
1344 1 50 LEU MD2 1 53 ASN QB 4.170 . 4.170 3.304 2.895 3.798 . 0 0 "[ . 1 . 2]" 1
1345 1 50 LEU MD2 1 53 ASN QD 5.190 . 5.190 3.434 2.564 4.466 . 0 0 "[ . 1 . 2]" 1
1346 1 50 LEU MD2 1 55 GLY H 4.180 . 4.180 3.578 3.063 3.925 . 0 0 "[ . 1 . 2]" 1
1347 1 50 LEU MD2 1 55 GLY HA2 4.270 . 4.270 4.212 3.793 4.465 0.195 6 0 "[ . 1 . 2]" 1
1348 1 50 LEU MD2 1 55 GLY QA 3.750 . 3.750 2.899 2.254 3.258 . 0 0 "[ . 1 . 2]" 1
1349 1 50 LEU MD2 1 55 GLY HA3 4.270 . 4.270 2.956 2.271 3.348 . 0 0 "[ . 1 . 2]" 1
1350 1 50 LEU MD2 1 56 TYR QB 5.650 . 5.650 4.701 3.854 5.335 . 0 0 "[ . 1 . 2]" 1
1351 1 50 LEU HG 1 53 ASN QB 5.640 . 5.640 5.337 4.855 5.658 0.018 9 0 "[ . 1 . 2]" 1
1352 1 50 LEU HG 1 55 GLY H 5.960 . 5.960 5.838 5.417 6.036 0.076 16 0 "[ . 1 . 2]" 1
1353 1 50 LEU HG 1 56 TYR HA 5.700 . 5.700 4.886 4.267 5.553 . 0 0 "[ . 1 . 2]" 1
1354 1 51 SER H 1 53 ASN H 5.450 . 5.450 4.121 3.861 4.234 . 0 0 "[ . 1 . 2]" 1
1355 1 51 SER HA 1 53 ASN H 5.400 . 5.400 4.384 4.202 4.542 . 0 0 "[ . 1 . 2]" 1
1356 1 51 SER HA 1 54 GLY H 5.160 . 5.160 3.552 3.168 3.867 . 0 0 "[ . 1 . 2]" 1
1357 1 51 SER HA 1 55 GLY H 5.920 . 5.920 4.227 3.676 5.159 . 0 0 "[ . 1 . 2]" 1
1358 1 51 SER HA 1 56 TYR H 5.840 . 5.840 4.405 3.763 5.624 . 0 0 "[ . 1 . 2]" 1
1359 1 51 SER HA 1 56 TYR QD 4.970 . 4.970 4.304 3.272 5.015 0.045 14 0 "[ . 1 . 2]" 1
1360 1 51 SER QB 1 53 ASN H 5.810 . 5.810 4.863 4.702 5.316 . 0 0 "[ . 1 . 2]" 1
1361 1 51 SER QB 1 56 TYR QD 5.650 . 5.650 4.518 3.053 5.400 . 0 0 "[ . 1 . 2]" 1
1362 1 52 ARG HA 1 53 ASN QB 5.930 . 5.930 5.454 5.150 5.556 . 0 0 "[ . 1 . 2]" 1
1363 1 52 ARG HA 1 54 GLY H 5.260 . 5.260 4.341 4.047 4.928 . 0 0 "[ . 1 . 2]" 1
1364 1 52 ARG QB 1 53 ASN H 3.720 . 3.720 2.751 2.484 3.598 . 0 0 "[ . 1 . 2]" 1
1365 1 52 ARG QB 1 53 ASN HD21 5.650 . 5.650 4.495 2.908 5.729 0.079 20 0 "[ . 1 . 2]" 1
1366 1 52 ARG QB 1 53 ASN QD 4.950 . 4.950 3.993 2.790 4.990 0.040 20 0 "[ . 1 . 2]" 1
1367 1 52 ARG QB 1 53 ASN HD22 5.650 . 5.650 4.588 3.584 5.685 0.035 5 0 "[ . 1 . 2]" 1
1368 1 53 ASN H 1 53 ASN QB 3.200 . 3.200 2.328 2.131 2.423 . 0 0 "[ . 1 . 2]" 1
1369 1 53 ASN H 1 53 ASN QD 5.030 . 5.030 3.324 2.526 4.293 . 0 0 "[ . 1 . 2]" 1
1370 1 53 ASN H 1 54 GLY QA 6.100 . 6.100 4.345 4.185 4.459 . 0 0 "[ . 1 . 2]" 1
1371 1 53 ASN H 1 55 GLY H 4.710 . 4.710 3.907 3.679 4.178 . 0 0 "[ . 1 . 2]" 1
1372 1 53 ASN HA 1 53 ASN HD22 5.660 . 5.660 4.437 3.757 4.712 . 0 0 "[ . 1 . 2]" 1
1373 1 53 ASN QB 1 54 GLY H 4.890 . 4.890 2.938 2.464 3.200 . 0 0 "[ . 1 . 2]" 1
1374 1 53 ASN QB 1 55 GLY H 5.030 . 5.030 3.067 2.573 3.964 . 0 0 "[ . 1 . 2]" 1
1375 1 54 GLY H 1 55 GLY H 3.740 . 3.740 2.351 2.062 2.594 . 0 0 "[ . 1 . 2]" 1
1376 1 54 GLY H 1 55 GLY QA 5.500 . 5.500 4.304 3.985 4.506 . 0 0 "[ . 1 . 2]" 1
1377 1 55 GLY H 1 56 TYR H 3.850 . 3.850 2.744 2.192 3.221 . 0 0 "[ . 1 . 2]" 1
1378 1 55 GLY H 1 56 TYR QB 5.550 . 5.550 4.065 3.778 4.399 . 0 0 "[ . 1 . 2]" 1
1379 1 55 GLY QA 1 57 LYS QB 5.280 . 5.280 4.885 4.228 5.351 0.071 20 0 "[ . 1 . 2]" 1
1380 1 56 TYR H 1 57 LYS H 4.950 . 4.950 4.105 3.177 4.634 . 0 0 "[ . 1 . 2]" 1
1381 1 56 TYR HA 1 56 TYR QD 3.500 . 3.500 2.675 2.196 3.182 . 0 0 "[ . 1 . 2]" 1
1382 1 56 TYR HA 1 57 LYS H 3.100 . 3.100 2.232 2.095 2.491 . 0 0 "[ . 1 . 2]" 1
1383 1 56 TYR HA 1 57 LYS QB 5.280 . 5.280 4.438 3.664 4.806 . 0 0 "[ . 1 . 2]" 1
1384 1 56 TYR QD 1 57 LYS H 4.380 . 4.380 3.755 2.832 4.386 0.006 1 0 "[ . 1 . 2]" 1
1385 1 56 TYR QD 1 57 LYS HA 5.090 . 5.090 4.444 3.663 4.858 . 0 0 "[ . 1 . 2]" 1
1386 1 56 TYR QD 1 58 MET HG2 5.900 . 5.900 4.664 3.460 5.832 . 0 0 "[ . 1 . 2]" 1
1387 1 56 TYR QD 1 58 MET QG 5.060 . 5.060 3.660 2.317 4.550 . 0 0 "[ . 1 . 2]" 1
1388 1 56 TYR QD 1 58 MET HG3 5.900 . 5.900 3.874 2.345 4.894 . 0 0 "[ . 1 . 2]" 1
1389 1 56 TYR QE 1 58 MET HA 5.240 . 5.240 5.093 4.465 5.353 0.113 16 0 "[ . 1 . 2]" 1
1390 1 56 TYR QE 1 58 MET HB2 5.950 . 5.950 5.363 4.260 6.064 0.114 3 0 "[ . 1 . 2]" 1
1391 1 56 TYR QE 1 58 MET ME 4.580 . 4.580 3.834 2.564 4.578 . 0 0 "[ . 1 . 2]" 1
1392 1 56 TYR QE 1 58 MET HG2 4.280 . 4.280 3.444 2.560 4.375 0.095 11 0 "[ . 1 . 2]" 1
1393 1 56 TYR QE 1 58 MET HG3 4.280 . 4.280 3.237 2.234 3.890 . 0 0 "[ . 1 . 2]" 1
1394 1 57 LYS H 1 57 LYS HB2 4.160 . 4.160 2.610 2.240 3.311 . 0 0 "[ . 1 . 2]" 1
1395 1 57 LYS H 1 57 LYS QB 3.490 . 3.490 2.494 2.216 2.722 . 0 0 "[ . 1 . 2]" 1
1396 1 57 LYS H 1 57 LYS HB3 4.160 . 4.160 3.534 2.483 3.829 . 0 0 "[ . 1 . 2]" 1
1397 1 57 LYS H 1 57 LYS QG 4.090 . 4.090 2.992 2.319 4.196 0.106 5 0 "[ . 1 . 2]" 1
1398 1 57 LYS H 1 58 MET H 4.650 . 4.650 4.345 4.028 4.581 . 0 0 "[ . 1 . 2]" 1
1399 1 57 LYS HA 1 58 MET H 3.330 . 3.330 2.162 2.067 2.282 . 0 0 "[ . 1 . 2]" 1
1400 1 57 LYS HA 1 58 MET HA 4.900 . 4.900 4.413 4.327 4.472 . 0 0 "[ . 1 . 2]" 1
1401 1 57 LYS QB 1 58 MET H 4.110 . 4.110 3.221 2.552 3.754 . 0 0 "[ . 1 . 2]" 1
1402 1 57 LYS HB2 1 58 MET H 4.920 . 4.920 4.178 3.853 4.444 . 0 0 "[ . 1 . 2]" 1
1403 1 57 LYS HB3 1 58 MET H 4.920 . 4.920 3.382 2.590 4.184 . 0 0 "[ . 1 . 2]" 1
1404 1 58 MET H 1 58 MET HB2 3.870 . 3.870 2.574 2.416 2.769 . 0 0 "[ . 1 . 2]" 1
1405 1 58 MET H 1 58 MET HB3 4.260 . 4.260 3.705 3.598 3.831 . 0 0 "[ . 1 . 2]" 1
1406 1 58 MET H 1 58 MET HG2 4.540 . 4.540 3.893 3.370 4.414 . 0 0 "[ . 1 . 2]" 1
1407 1 58 MET H 1 58 MET HG3 4.540 . 4.540 2.907 2.344 3.918 . 0 0 "[ . 1 . 2]" 1
1408 1 58 MET H 1 59 VAL H 4.940 . 4.940 4.501 4.259 4.623 . 0 0 "[ . 1 . 2]" 1
1409 1 58 MET H 1 60 GLU H 5.460 . 5.460 5.204 4.841 5.423 . 0 0 "[ . 1 . 2]" 1
1410 1 58 MET HA 1 58 MET QG 3.930 . 3.930 2.477 2.342 2.625 . 0 0 "[ . 1 . 2]" 1
1411 1 58 MET HA 1 59 VAL H 3.000 . 3.000 2.333 2.193 2.550 . 0 0 "[ . 1 . 2]" 1
1412 1 58 MET HA 1 59 VAL MG1 4.110 . 4.110 3.592 3.461 3.795 . 0 0 "[ . 1 . 2]" 1
1413 1 58 MET HA 1 59 VAL MG2 5.380 . 5.380 4.362 4.048 4.568 . 0 0 "[ . 1 . 2]" 1
1414 1 58 MET HB2 1 59 VAL H 4.300 . 4.300 3.926 3.426 4.256 . 0 0 "[ . 1 . 2]" 1
1415 1 58 MET HB2 1 59 VAL HA 6.080 . 6.080 4.931 4.644 5.233 . 0 0 "[ . 1 . 2]" 1
1416 1 58 MET HB2 1 60 GLU H 3.720 . 3.720 3.572 2.878 3.869 0.149 19 0 "[ . 1 . 2]" 1
1417 1 58 MET HB2 1 61 TYR QD 4.580 . 4.580 3.521 2.435 4.464 . 0 0 "[ . 1 . 2]" 1
1418 1 58 MET HB2 1 61 TYR QE 4.980 . 4.980 3.565 2.354 4.946 . 0 0 "[ . 1 . 2]" 1
1419 1 58 MET HB3 1 59 VAL H 3.400 . 3.400 2.898 2.445 3.366 . 0 0 "[ . 1 . 2]" 1
1420 1 58 MET HB3 1 60 GLU H 3.800 . 3.800 2.601 2.187 3.036 . 0 0 "[ . 1 . 2]" 1
1421 1 58 MET HB3 1 61 TYR QD 5.800 . 5.800 4.710 3.588 5.820 0.020 10 0 "[ . 1 . 2]" 1
1422 1 58 MET ME 1 61 TYR HA 4.270 . 4.270 2.697 1.905 3.847 . 0 0 "[ . 1 . 2]" 1
1423 1 58 MET ME 1 61 TYR QD 4.440 . 4.440 2.734 1.784 4.114 . 0 0 "[ . 1 . 2]" 1
1424 1 58 MET ME 1 61 TYR QE 4.480 . 4.480 3.438 2.040 4.544 0.064 1 0 "[ . 1 . 2]" 1
1425 1 58 MET QG 1 59 VAL H 5.030 . 5.030 4.088 3.826 4.394 . 0 0 "[ . 1 . 2]" 1
1426 1 59 VAL H 1 59 VAL HB 4.000 . 4.000 3.739 3.688 3.804 . 0 0 "[ . 1 . 2]" 1
1427 1 59 VAL H 1 59 VAL MG1 3.350 . 3.350 2.255 2.090 2.487 . 0 0 "[ . 1 . 2]" 1
1428 1 59 VAL H 1 59 VAL MG2 3.620 . 3.620 2.370 2.158 2.577 . 0 0 "[ . 1 . 2]" 1
1429 1 59 VAL H 1 60 GLU H 3.520 . 3.520 2.323 2.097 2.535 . 0 0 "[ . 1 . 2]" 1
1430 1 59 VAL HA 1 59 VAL MG1 3.430 . 3.430 2.477 2.390 2.552 . 0 0 "[ . 1 . 2]" 1
1431 1 59 VAL HA 1 60 GLU H 3.570 . 3.570 3.364 3.194 3.484 . 0 0 "[ . 1 . 2]" 1
1432 1 59 VAL HA 1 60 GLU HA 4.800 . 4.800 4.478 4.376 4.596 . 0 0 "[ . 1 . 2]" 1
1433 1 59 VAL HA 1 60 GLU QB 6.100 . 6.100 5.092 4.584 5.481 . 0 0 "[ . 1 . 2]" 1
1434 1 59 VAL HB 1 60 GLU HA 5.610 . 5.610 5.119 4.853 5.312 . 0 0 "[ . 1 . 2]" 1
1435 1 59 VAL MG1 1 60 GLU H 4.380 . 4.380 3.965 3.838 4.100 . 0 0 "[ . 1 . 2]" 1
1436 1 59 VAL MG2 1 60 GLU H 3.770 . 3.770 2.782 2.389 3.133 . 0 0 "[ . 1 . 2]" 1
1437 1 59 VAL MG2 1 60 GLU QB 5.090 . 5.090 3.029 2.526 3.627 . 0 0 "[ . 1 . 2]" 1
1438 1 59 VAL MG2 1 60 GLU QG 5.410 . 5.410 3.322 1.839 4.998 . 0 0 "[ . 1 . 2]" 1
1439 1 60 GLU H 1 60 GLU HB2 4.190 . 4.190 2.870 2.507 3.427 . 0 0 "[ . 1 . 2]" 1
1440 1 60 GLU H 1 60 GLU QB 3.650 . 3.650 2.606 2.332 2.792 . 0 0 "[ . 1 . 2]" 1
1441 1 60 GLU H 1 60 GLU HB3 4.190 . 4.190 3.296 2.570 3.834 . 0 0 "[ . 1 . 2]" 1
1442 1 60 GLU H 1 60 GLU QG 4.950 . 4.950 3.690 2.804 4.368 . 0 0 "[ . 1 . 2]" 1
1443 1 60 GLU H 1 62 GLY H 5.690 . 5.690 5.293 4.529 5.861 0.171 18 0 "[ . 1 . 2]" 1
1444 1 60 GLU HA 1 60 GLU HG2 4.390 . 4.390 3.002 2.310 3.890 . 0 0 "[ . 1 . 2]" 1
1445 1 60 GLU HA 1 60 GLU HG3 4.390 . 4.390 3.363 2.508 3.798 . 0 0 "[ . 1 . 2]" 1
1446 1 60 GLU HA 1 61 TYR H 3.200 . 3.200 2.163 2.062 2.396 . 0 0 "[ . 1 . 2]" 1
1447 1 60 GLU HA 1 61 TYR HA 4.960 . 4.960 4.370 4.299 4.436 . 0 0 "[ . 1 . 2]" 1
1448 1 60 GLU HA 1 61 TYR QD 4.830 . 4.830 3.998 3.396 4.712 . 0 0 "[ . 1 . 2]" 1
1449 1 60 GLU HA 1 62 GLY H 4.940 . 4.940 3.943 3.291 5.043 0.103 10 0 "[ . 1 . 2]" 1
1450 1 60 GLU HA 1 63 GLY H 6.300 . 6.300 5.398 3.901 6.566 0.266 9 0 "[ . 1 . 2]" 1
1451 1 60 GLU QB 1 61 TYR H 4.490 . 4.490 3.475 2.437 3.962 . 0 0 "[ . 1 . 2]" 1
1452 1 60 GLU QB 1 62 GLY H 5.330 . 5.330 3.552 2.635 4.648 . 0 0 "[ . 1 . 2]" 1
1453 1 60 GLU HB2 1 61 TYR H 5.350 . 5.350 4.298 3.722 4.534 . 0 0 "[ . 1 . 2]" 1
1454 1 60 GLU HB3 1 61 TYR H 5.350 . 5.350 3.721 2.471 4.410 . 0 0 "[ . 1 . 2]" 1
1455 1 60 GLU QG 1 61 TYR H 4.840 . 4.840 3.837 2.709 4.712 . 0 0 "[ . 1 . 2]" 1
1456 1 61 TYR H 1 61 TYR HB2 4.130 . 4.130 2.473 2.290 2.608 . 0 0 "[ . 1 . 2]" 1
1457 1 61 TYR H 1 61 TYR QB 3.420 . 3.420 2.434 2.264 2.557 . 0 0 "[ . 1 . 2]" 1
1458 1 61 TYR H 1 61 TYR HB3 4.130 . 4.130 3.638 3.425 3.738 . 0 0 "[ . 1 . 2]" 1
1459 1 61 TYR H 1 61 TYR QD 4.250 . 4.250 2.861 2.452 3.399 . 0 0 "[ . 1 . 2]" 1
1460 1 61 TYR HA 1 61 TYR QD 3.490 . 3.490 2.740 2.154 3.059 . 0 0 "[ . 1 . 2]" 1
1461 1 61 TYR HA 1 61 TYR QE 4.620 . 4.620 4.562 4.273 4.686 0.066 13 0 "[ . 1 . 2]" 1
1462 1 61 TYR HA 1 62 GLY H 3.360 . 3.360 3.018 2.114 3.475 0.115 13 0 "[ . 1 . 2]" 1
1463 1 61 TYR HA 1 63 GLY H 5.220 . 5.220 3.706 2.886 4.885 . 0 0 "[ . 1 . 2]" 1
1464 1 61 TYR QD 1 62 GLY H 5.070 . 5.070 4.598 4.105 4.982 . 0 0 "[ . 1 . 2]" 1
1465 1 62 GLY H 1 63 GLY H 4.500 . 4.500 2.572 1.683 3.515 . 0 0 "[ . 1 . 2]" 1
1466 1 63 GLY H 1 64 ALA H 4.970 . 4.970 3.496 2.015 4.433 . 0 0 "[ . 1 . 2]" 1
1467 1 63 GLY H 1 64 ALA HA 6.300 . 6.300 4.973 4.301 5.776 . 0 0 "[ . 1 . 2]" 1
1468 1 63 GLY QA 1 64 ALA MB 4.510 . 4.510 3.901 3.559 4.244 . 0 0 "[ . 1 . 2]" 1
1469 1 64 ALA H 1 64 ALA MB 3.020 . 3.020 2.373 2.228 2.927 . 0 0 "[ . 1 . 2]" 1
1470 1 64 ALA H 1 65 GLN QG 5.890 . 5.890 5.193 3.001 6.013 0.123 7 0 "[ . 1 . 2]" 1
1471 1 64 ALA H 1 66 ALA H 5.270 . 5.270 4.725 3.452 5.455 0.185 17 0 "[ . 1 . 2]" 1
1472 1 64 ALA HA 1 65 GLN H 3.480 . 3.480 2.851 2.094 3.540 0.060 11 0 "[ . 1 . 2]" 1
1473 1 64 ALA HA 1 65 GLN HE21 5.320 . 5.320 4.552 3.347 5.423 0.103 11 0 "[ . 1 . 2]" 1
1474 1 64 ALA HA 1 65 GLN HE22 5.800 . 5.800 5.083 3.143 6.005 0.205 14 0 "[ . 1 . 2]" 1
1475 1 64 ALA HA 1 65 GLN QG 6.140 . 6.140 4.720 3.304 6.096 . 0 0 "[ . 1 . 2]" 1
1476 1 64 ALA MB 1 65 GLN H 3.550 . 3.550 2.683 1.767 3.684 0.134 19 0 "[ . 1 . 2]" 1
1477 1 64 ALA MB 1 65 GLN HA 4.410 . 4.410 4.110 3.732 4.397 . 0 0 "[ . 1 . 2]" 1
1478 1 64 ALA MB 1 65 GLN HE21 5.130 . 5.130 3.965 2.146 5.242 0.112 4 0 "[ . 1 . 2]" 1
1479 1 64 ALA MB 1 65 GLN HE22 5.630 . 5.630 4.384 2.201 5.789 0.159 16 0 "[ . 1 . 2]" 1
1480 1 64 ALA MB 1 65 GLN QG 6.210 . 6.210 4.381 2.871 5.668 . 0 0 "[ . 1 . 2]" 1
1481 1 64 ALA MB 1 66 ALA H 4.820 . 4.820 3.720 2.340 4.561 . 0 0 "[ . 1 . 2]" 1
1482 1 65 GLN H 1 65 GLN HB2 4.170 . 4.170 2.966 2.241 3.667 . 0 0 "[ . 1 . 2]" 1
1483 1 65 GLN H 1 65 GLN QB 3.310 . 3.310 2.722 2.214 3.319 0.009 11 0 "[ . 1 . 2]" 1
1484 1 65 GLN H 1 65 GLN HB3 4.170 . 4.170 3.549 2.712 4.140 . 0 0 "[ . 1 . 2]" 1
1485 1 65 GLN H 1 65 GLN QG 4.010 . 4.010 2.833 1.757 3.885 . 0 0 "[ . 1 . 2]" 1
1486 1 65 GLN H 1 66 ALA H 3.850 . 3.850 3.060 2.164 4.013 0.163 18 0 "[ . 1 . 2]" 1
1487 1 65 GLN H 1 66 ALA HA 5.380 . 5.380 4.939 4.480 5.316 . 0 0 "[ . 1 . 2]" 1
1488 1 65 GLN HA 1 65 GLN HE21 5.580 . 5.580 3.338 2.196 5.124 . 0 0 "[ . 1 . 2]" 1
1489 1 65 GLN HA 1 65 GLN HE22 6.300 . 6.300 4.483 3.118 5.812 . 0 0 "[ . 1 . 2]" 1
1490 1 65 GLN HA 1 65 GLN QG 3.650 . 3.650 2.868 2.375 3.518 . 0 0 "[ . 1 . 2]" 1
1491 1 65 GLN HA 1 66 ALA H 3.640 . 3.640 2.742 2.143 3.520 . 0 0 "[ . 1 . 2]" 1
1492 1 65 GLN QB 1 65 GLN HE21 4.110 . 4.110 3.221 1.699 3.956 . 0 0 "[ . 1 . 2]" 1
1493 1 65 GLN QB 1 65 GLN HE22 4.530 . 4.530 3.974 3.268 4.398 . 0 0 "[ . 1 . 2]" 1
1494 1 65 GLN QB 1 66 ALA H 4.190 . 4.190 3.669 2.378 4.031 . 0 0 "[ . 1 . 2]" 1
1495 1 65 GLN QB 1 66 ALA MB 5.790 . 5.790 4.566 3.715 4.963 . 0 0 "[ . 1 . 2]" 1
1496 1 65 GLN QB 1 67 GLU H 5.620 . 5.620 4.220 2.202 5.625 0.005 7 0 "[ . 1 . 2]" 1
1497 1 65 GLN HB2 1 65 GLN HE21 4.690 . 4.690 3.604 1.705 4.409 . 0 0 "[ . 1 . 2]" 1
1498 1 65 GLN HB2 1 66 ALA H 4.810 . 4.810 4.069 2.421 4.617 . 0 0 "[ . 1 . 2]" 1
1499 1 65 GLN HB3 1 65 GLN HE21 4.690 . 4.690 3.892 1.981 4.473 . 0 0 "[ . 1 . 2]" 1
1500 1 65 GLN HB3 1 66 ALA H 4.810 . 4.810 4.264 3.475 4.657 . 0 0 "[ . 1 . 2]" 1
1501 1 65 GLN HE21 1 66 ALA H 5.320 . 5.320 4.540 2.396 5.323 0.003 15 0 "[ . 1 . 2]" 1
1502 1 65 GLN HE21 1 67 GLU H 6.300 . 6.300 5.642 4.344 6.483 0.183 7 0 "[ . 1 . 2]" 1
1503 1 65 GLN HE22 1 65 GLN QG 3.770 . 3.770 3.324 3.205 3.506 . 0 0 "[ . 1 . 2]" 1
1504 1 65 GLN QG 1 66 ALA H 5.160 . 5.160 4.545 3.259 5.006 . 0 0 "[ . 1 . 2]" 1
1505 1 66 ALA H 1 66 ALA MB 3.380 . 3.380 2.353 2.237 2.868 . 0 0 "[ . 1 . 2]" 1
1506 1 66 ALA H 1 67 GLU H 4.500 . 4.500 2.823 1.991 4.394 . 0 0 "[ . 1 . 2]" 1
1507 1 66 ALA H 1 67 GLU QB 5.910 . 5.910 4.544 3.791 5.119 . 0 0 "[ . 1 . 2]" 1
1508 1 66 ALA HA 1 67 GLU H 3.650 . 3.650 2.975 2.098 3.523 . 0 0 "[ . 1 . 2]" 1
1509 1 66 ALA MB 1 67 GLU H 3.970 . 3.970 3.251 1.811 3.695 . 0 0 "[ . 1 . 2]" 1
1510 1 66 ALA MB 1 67 GLU HA 4.840 . 4.840 4.159 3.615 4.488 . 0 0 "[ . 1 . 2]" 1
1511 1 66 ALA MB 1 67 GLU QG 4.380 . 4.380 3.984 3.159 4.554 0.174 4 0 "[ . 1 . 2]" 1
1512 1 67 GLU H 1 67 GLU QB 3.820 . 3.820 2.810 2.248 3.390 . 0 0 "[ . 1 . 2]" 1
1513 1 67 GLU H 1 67 GLU QG 3.330 . 3.330 2.440 1.764 3.506 0.176 10 0 "[ . 1 . 2]" 1
1514 1 67 GLU HA 1 67 GLU QG 3.870 . 3.870 2.943 2.310 3.577 . 0 0 "[ . 1 . 2]" 1
1515 1 68 TRP H 1 68 TRP HD1 3.840 . 3.840 3.466 3.041 3.927 0.087 13 0 "[ . 1 . 2]" 1
1516 1 68 TRP H 1 68 TRP HE1 5.280 . 5.280 4.902 4.573 5.194 . 0 0 "[ . 1 . 2]" 1
1517 1 68 TRP H 1 68 TRP HZ3 6.300 . 6.300 6.231 5.899 6.484 0.184 19 0 "[ . 1 . 2]" 1
1518 1 68 TRP HA 1 68 TRP HD1 5.040 . 5.040 4.675 4.581 4.775 . 0 0 "[ . 1 . 2]" 1
1519 1 68 TRP HA 1 68 TRP HE1 6.300 . 6.300 5.741 5.618 5.902 . 0 0 "[ . 1 . 2]" 1
1520 1 68 TRP HA 1 72 ALA H 5.520 . 5.520 3.802 3.191 4.426 . 0 0 "[ . 1 . 2]" 1
1521 1 68 TRP HA 1 73 GLU H 6.290 . 6.290 5.952 5.186 6.465 0.175 1 0 "[ . 1 . 2]" 1
1522 1 68 TRP HB2 1 72 ALA MB 4.330 . 4.330 3.628 3.209 4.005 . 0 0 "[ . 1 . 2]" 1
1523 1 68 TRP HB3 1 68 TRP HZ3 5.800 . 5.800 5.390 5.195 5.640 . 0 0 "[ . 1 . 2]" 1
1524 1 68 TRP HB3 1 72 ALA MB 4.800 . 4.800 2.277 1.735 2.847 . 0 0 "[ . 1 . 2]" 1
1525 1 68 TRP HD1 1 110 PHE HA 6.300 . 6.300 5.077 4.165 5.874 . 0 0 "[ . 1 . 2]" 1
1526 1 68 TRP HE1 1 105 ILE MD 5.840 . 5.840 5.370 4.554 5.903 0.063 12 0 "[ . 1 . 2]" 1
1527 1 68 TRP HE1 1 109 LYS HB3 5.500 . 5.500 3.588 2.609 4.645 . 0 0 "[ . 1 . 2]" 1
1528 1 68 TRP HE1 1 110 PHE HB2 5.900 . 5.900 4.157 3.474 4.899 . 0 0 "[ . 1 . 2]" 1
1529 1 68 TRP HE1 1 113 LEU HB2 6.140 . 6.140 4.547 3.967 5.253 . 0 0 "[ . 1 . 2]" 1
1530 1 68 TRP HE1 1 113 LEU HB3 6.300 . 6.300 5.557 4.578 6.183 . 0 0 "[ . 1 . 2]" 1
1531 1 68 TRP HE1 1 113 LEU HG 6.210 . 6.210 4.855 3.957 5.725 . 0 0 "[ . 1 . 2]" 1
1532 1 68 TRP HH2 1 75 VAL MG2 5.040 . 5.040 4.163 2.859 4.902 . 0 0 "[ . 1 . 2]" 1
1533 1 68 TRP HH2 1 105 ILE MD 3.970 . 3.970 2.924 2.630 3.438 . 0 0 "[ . 1 . 2]" 1
1534 1 68 TRP HH2 1 105 ILE QG 6.100 . 6.100 5.009 4.589 5.453 . 0 0 "[ . 1 . 2]" 1
1535 1 68 TRP HH2 1 105 ILE MG 4.300 . 4.300 3.118 2.668 3.655 . 0 0 "[ . 1 . 2]" 1
1536 1 68 TRP HH2 1 107 VAL HA 3.800 . 3.800 2.102 1.519 2.620 . 0 0 "[ . 1 . 2]" 1
1537 1 68 TRP HH2 1 107 VAL HB 5.610 . 5.610 5.050 3.628 5.594 . 0 0 "[ . 1 . 2]" 1
1538 1 68 TRP HH2 1 107 VAL MG1 4.730 . 4.730 4.013 3.593 4.395 . 0 0 "[ . 1 . 2]" 1
1539 1 68 TRP HH2 1 107 VAL MG2 3.980 . 3.980 3.509 2.465 4.016 0.036 2 0 "[ . 1 . 2]" 1
1540 1 68 TRP HH2 1 110 PHE H 4.300 . 4.300 3.190 2.682 3.618 . 0 0 "[ . 1 . 2]" 1
1541 1 68 TRP HH2 1 110 PHE HB2 5.860 . 5.860 3.149 2.103 3.608 . 0 0 "[ . 1 . 2]" 1
1542 1 68 TRP HZ2 1 105 ILE MD 4.790 . 4.790 3.931 3.146 4.423 . 0 0 "[ . 1 . 2]" 1
1543 1 68 TRP HZ2 1 105 ILE MG 5.730 . 5.730 4.910 4.164 5.565 . 0 0 "[ . 1 . 2]" 1
1544 1 68 TRP HZ2 1 107 VAL HA 4.550 . 4.550 3.941 3.104 4.557 0.007 2 0 "[ . 1 . 2]" 1
1545 1 68 TRP HZ2 1 107 VAL MG1 6.170 . 6.170 5.173 4.578 5.638 . 0 0 "[ . 1 . 2]" 1
1546 1 68 TRP HZ2 1 109 LYS HB2 4.810 . 4.810 3.599 3.089 4.702 . 0 0 "[ . 1 . 2]" 1
1547 1 68 TRP HZ2 1 109 LYS HB3 4.640 . 4.640 1.898 1.441 3.004 . 0 0 "[ . 1 . 2]" 1
1548 1 68 TRP HZ2 1 110 PHE H 4.460 . 4.460 2.299 1.920 2.716 . 0 0 "[ . 1 . 2]" 1
1549 1 68 TRP HZ2 1 110 PHE HB2 4.890 . 4.890 2.884 2.155 3.559 . 0 0 "[ . 1 . 2]" 1
1550 1 68 TRP HZ2 1 110 PHE HB3 5.260 . 5.260 3.846 3.418 4.400 . 0 0 "[ . 1 . 2]" 1
1551 1 68 TRP HZ2 1 110 PHE QD 5.650 . 5.650 4.493 2.617 5.209 . 0 0 "[ . 1 . 2]" 1
1552 1 68 TRP HZ2 1 113 LEU H 6.180 . 6.180 5.975 5.367 6.303 0.123 4 0 "[ . 1 . 2]" 1
1553 1 68 TRP HZ3 1 72 ALA H 5.950 . 5.950 5.021 4.497 5.577 . 0 0 "[ . 1 . 2]" 1
1554 1 68 TRP HZ3 1 72 ALA HA 4.290 . 4.290 3.706 2.844 4.230 . 0 0 "[ . 1 . 2]" 1
1555 1 68 TRP HZ3 1 72 ALA MB 4.080 . 4.080 3.819 3.487 4.123 0.043 6 0 "[ . 1 . 2]" 1
1556 1 68 TRP HZ3 1 75 VAL HB 5.310 . 5.310 4.623 3.714 5.349 0.039 5 0 "[ . 1 . 2]" 1
1557 1 68 TRP HZ3 1 75 VAL MG1 4.980 . 4.980 4.048 3.198 4.990 0.010 5 0 "[ . 1 . 2]" 1
1558 1 68 TRP HZ3 1 75 VAL MG2 4.730 . 4.730 2.990 2.093 3.759 . 0 0 "[ . 1 . 2]" 1
1559 1 68 TRP HZ3 1 110 PHE H 5.720 . 5.720 5.285 4.796 5.729 0.009 16 0 "[ . 1 . 2]" 1
1560 1 68 TRP HZ3 1 110 PHE QD 5.830 . 5.830 5.305 4.527 5.843 0.013 16 0 "[ . 1 . 2]" 1
1561 1 71 GLN HA 1 73 GLU H 5.300 . 5.300 3.793 3.251 4.183 . 0 0 "[ . 1 . 2]" 1
1562 1 71 GLN HA 1 74 LYS H 4.230 . 4.230 3.860 3.444 4.234 0.004 4 0 "[ . 1 . 2]" 1
1563 1 71 GLN HA 1 74 LYS QB 5.310 . 5.310 4.326 3.547 5.322 0.012 20 0 "[ . 1 . 2]" 1
1564 1 71 GLN HA 1 74 LYS QG 4.690 . 4.690 3.590 2.500 4.747 0.057 6 0 "[ . 1 . 2]" 1
1565 1 71 GLN HA 1 75 VAL H 6.240 . 6.240 5.338 4.632 6.041 . 0 0 "[ . 1 . 2]" 1
1566 1 72 ALA H 1 72 ALA MB 3.180 . 3.180 2.223 2.190 2.272 . 0 0 "[ . 1 . 2]" 1
1567 1 72 ALA H 1 73 GLU H 3.910 . 3.910 2.623 2.494 2.736 . 0 0 "[ . 1 . 2]" 1
1568 1 72 ALA H 1 73 GLU QB 4.910 . 4.910 4.436 4.149 4.860 . 0 0 "[ . 1 . 2]" 1
1569 1 72 ALA H 1 74 LYS H 5.000 . 5.000 4.474 4.146 4.771 . 0 0 "[ . 1 . 2]" 1
1570 1 72 ALA HA 1 73 GLU HA 6.200 . 6.200 4.886 4.796 4.984 . 0 0 "[ . 1 . 2]" 1
1571 1 72 ALA HA 1 74 LYS H 4.810 . 4.810 4.052 3.725 4.255 . 0 0 "[ . 1 . 2]" 1
1572 1 72 ALA HA 1 75 VAL H 4.440 . 4.440 3.222 2.950 3.510 . 0 0 "[ . 1 . 2]" 1
1573 1 72 ALA HA 1 75 VAL HB 4.220 . 4.220 2.701 2.278 3.248 . 0 0 "[ . 1 . 2]" 1
1574 1 72 ALA HA 1 75 VAL MG1 5.330 . 5.330 4.002 3.693 4.533 . 0 0 "[ . 1 . 2]" 1
1575 1 72 ALA HA 1 75 VAL MG2 4.380 . 4.380 2.540 1.999 2.926 . 0 0 "[ . 1 . 2]" 1
1576 1 72 ALA MB 1 73 GLU H 3.890 . 3.890 2.894 2.837 2.959 . 0 0 "[ . 1 . 2]" 1
1577 1 72 ALA MB 1 73 GLU HA 5.370 . 5.370 3.960 3.862 4.112 . 0 0 "[ . 1 . 2]" 1
1578 1 72 ALA MB 1 73 GLU QG 6.100 . 6.100 5.119 3.537 5.582 . 0 0 "[ . 1 . 2]" 1
1579 1 72 ALA MB 1 74 LYS H 5.040 . 5.040 4.628 4.515 4.753 . 0 0 "[ . 1 . 2]" 1
1580 1 72 ALA MB 1 75 VAL H 5.430 . 5.430 4.363 4.083 4.549 . 0 0 "[ . 1 . 2]" 1
1581 1 72 ALA MB 1 75 VAL HB 4.750 . 4.750 3.601 3.219 4.167 . 0 0 "[ . 1 . 2]" 1
1582 1 72 ALA MB 1 75 VAL MG2 5.250 . 5.250 3.785 3.200 4.159 . 0 0 "[ . 1 . 2]" 1
1583 1 72 ALA MB 1 76 GLU H 4.980 . 4.980 4.183 3.958 4.458 . 0 0 "[ . 1 . 2]" 1
1584 1 72 ALA MB 1 76 GLU QG 6.010 . 6.010 4.133 3.445 4.921 . 0 0 "[ . 1 . 2]" 1
1585 1 73 GLU H 1 73 GLU HB2 3.770 . 3.770 2.682 2.363 3.624 . 0 0 "[ . 1 . 2]" 1
1586 1 73 GLU H 1 73 GLU QB 3.260 . 3.260 2.293 2.166 2.584 . 0 0 "[ . 1 . 2]" 1
1587 1 73 GLU H 1 73 GLU HB3 3.770 . 3.770 2.608 2.423 3.601 . 0 0 "[ . 1 . 2]" 1
1588 1 73 GLU H 1 73 GLU HG2 4.950 . 4.950 3.944 2.166 4.535 . 0 0 "[ . 1 . 2]" 1
1589 1 73 GLU H 1 73 GLU QG 4.340 . 4.340 3.507 2.041 4.009 . 0 0 "[ . 1 . 2]" 1
1590 1 73 GLU H 1 73 GLU HG3 4.950 . 4.950 4.084 2.060 4.575 . 0 0 "[ . 1 . 2]" 1
1591 1 73 GLU HA 1 73 GLU HG2 4.320 . 4.320 3.043 2.456 3.818 . 0 0 "[ . 1 . 2]" 1
1592 1 73 GLU HA 1 73 GLU QG 3.740 . 3.740 2.667 2.397 3.355 . 0 0 "[ . 1 . 2]" 1
1593 1 73 GLU HA 1 73 GLU HG3 4.320 . 4.320 3.074 2.542 3.769 . 0 0 "[ . 1 . 2]" 1
1594 1 73 GLU HA 1 76 GLU H 4.240 . 4.240 3.613 3.352 3.908 . 0 0 "[ . 1 . 2]" 1
1595 1 73 GLU HA 1 76 GLU HA 6.300 . 6.300 5.698 5.365 6.049 . 0 0 "[ . 1 . 2]" 1
1596 1 73 GLU HA 1 76 GLU HB3 4.360 . 4.360 3.886 3.308 4.329 . 0 0 "[ . 1 . 2]" 1
1597 1 73 GLU HA 1 76 GLU QG 4.850 . 4.850 2.043 1.800 2.541 . 0 0 "[ . 1 . 2]" 1
1598 1 73 GLU HA 1 77 ALA H 5.220 . 5.220 4.470 4.126 5.145 . 0 0 "[ . 1 . 2]" 1
1599 1 73 GLU QB 1 74 LYS H 4.140 . 4.140 2.878 2.505 3.583 . 0 0 "[ . 1 . 2]" 1
1600 1 73 GLU QG 1 74 LYS H 5.370 . 5.370 3.600 2.228 4.283 . 0 0 "[ . 1 . 2]" 1
1601 1 73 GLU QG 1 74 LYS QD 5.080 . 5.080 3.967 1.968 5.225 0.145 2 0 "[ . 1 . 2]" 1
1602 1 74 LYS H 1 74 LYS QG 3.220 . 3.220 2.364 1.995 3.524 0.304 6 0 "[ . 1 . 2]" 1
1603 1 74 LYS H 1 75 VAL H 3.330 . 3.330 2.440 2.353 2.596 . 0 0 "[ . 1 . 2]" 1
1604 1 74 LYS H 1 75 VAL MG2 4.330 . 4.330 3.524 3.330 3.744 . 0 0 "[ . 1 . 2]" 1
1605 1 74 LYS H 1 76 GLU H 4.680 . 4.680 4.088 3.894 4.186 . 0 0 "[ . 1 . 2]" 1
1606 1 74 LYS H 1 76 GLU HB3 6.280 . 6.280 6.004 5.582 6.313 0.033 19 0 "[ . 1 . 2]" 1
1607 1 74 LYS H 1 100 ILE MG 5.110 . 5.110 4.764 4.415 5.125 0.015 5 0 "[ . 1 . 2]" 1
1608 1 74 LYS H 1 103 ALA MB 5.490 . 5.490 5.146 4.083 5.551 0.061 13 0 "[ . 1 . 2]" 1
1609 1 74 LYS HA 1 74 LYS QD 4.190 . 4.190 2.351 1.957 3.629 . 0 0 "[ . 1 . 2]" 1
1610 1 74 LYS HA 1 74 LYS QG 3.980 . 3.980 2.948 2.509 3.221 . 0 0 "[ . 1 . 2]" 1
1611 1 74 LYS HA 1 76 GLU H 4.970 . 4.970 4.508 4.328 4.649 . 0 0 "[ . 1 . 2]" 1
1612 1 74 LYS HA 1 77 ALA H 4.570 . 4.570 4.043 3.777 4.313 . 0 0 "[ . 1 . 2]" 1
1613 1 74 LYS HA 1 77 ALA MB 3.620 . 3.620 3.435 2.997 3.703 0.083 8 0 "[ . 1 . 2]" 1
1614 1 74 LYS HA 1 100 ILE MG 4.990 . 4.990 3.996 3.585 4.484 . 0 0 "[ . 1 . 2]" 1
1615 1 74 LYS QB 1 100 ILE HB 5.220 . 5.220 4.645 4.077 5.168 . 0 0 "[ . 1 . 2]" 1
1616 1 74 LYS QB 1 100 ILE MG 3.520 . 3.520 2.409 2.119 2.885 . 0 0 "[ . 1 . 2]" 1
1617 1 74 LYS QB 1 103 ALA H 5.030 . 5.030 3.961 3.488 4.647 . 0 0 "[ . 1 . 2]" 1
1618 1 74 LYS QB 1 103 ALA MB 4.320 . 4.320 3.137 2.079 3.662 . 0 0 "[ . 1 . 2]" 1
1619 1 74 LYS HB2 1 75 VAL H 4.670 . 4.670 2.715 2.595 2.896 . 0 0 "[ . 1 . 2]" 1
1620 1 74 LYS HB2 1 100 ILE MG 4.040 . 4.040 3.004 2.601 3.640 . 0 0 "[ . 1 . 2]" 1
1621 1 74 LYS HB2 1 103 ALA MB 4.910 . 4.910 3.327 2.119 4.000 . 0 0 "[ . 1 . 2]" 1
1622 1 74 LYS HB3 1 75 VAL H 4.670 . 4.670 3.749 3.377 3.949 . 0 0 "[ . 1 . 2]" 1
1623 1 74 LYS HB3 1 100 ILE MG 4.040 . 4.040 2.579 2.168 3.329 . 0 0 "[ . 1 . 2]" 1
1624 1 74 LYS HB3 1 103 ALA MB 4.910 . 4.910 3.986 3.007 4.864 . 0 0 "[ . 1 . 2]" 1
1625 1 74 LYS QE 1 102 GLY QA 4.780 . 4.780 3.853 2.639 4.878 0.098 8 0 "[ . 1 . 2]" 1
1626 1 74 LYS QG 1 75 VAL H 5.200 . 5.200 4.023 3.648 4.528 . 0 0 "[ . 1 . 2]" 1
1627 1 74 LYS QG 1 100 ILE MG 4.780 . 4.780 3.901 3.528 4.375 . 0 0 "[ . 1 . 2]" 1
1628 1 74 LYS QG 1 102 GLY HA2 5.610 . 5.610 4.134 3.146 5.491 . 0 0 "[ . 1 . 2]" 1
1629 1 74 LYS QG 1 102 GLY QA 4.780 . 4.780 2.705 1.629 4.025 . 0 0 "[ . 1 . 2]" 1
1630 1 74 LYS QG 1 102 GLY HA3 5.610 . 5.610 2.751 1.635 4.139 . 0 0 "[ . 1 . 2]" 1
1631 1 75 VAL H 1 75 VAL HB 3.580 . 3.580 2.585 2.433 2.762 . 0 0 "[ . 1 . 2]" 1
1632 1 75 VAL H 1 75 VAL MG1 4.550 . 4.550 3.743 3.705 3.770 . 0 0 "[ . 1 . 2]" 1
1633 1 75 VAL H 1 75 VAL MG2 3.510 . 3.510 1.972 1.835 2.122 . 0 0 "[ . 1 . 2]" 1
1634 1 75 VAL H 1 76 GLU H 3.560 . 3.560 2.549 2.494 2.588 . 0 0 "[ . 1 . 2]" 1
1635 1 75 VAL H 1 76 GLU HB3 6.060 . 6.060 4.935 4.702 5.166 . 0 0 "[ . 1 . 2]" 1
1636 1 75 VAL H 1 76 GLU QG 5.200 . 5.200 3.997 3.669 4.358 . 0 0 "[ . 1 . 2]" 1
1637 1 75 VAL H 1 77 ALA H 4.550 . 4.550 4.275 4.088 4.419 . 0 0 "[ . 1 . 2]" 1
1638 1 75 VAL H 1 78 TYR H 6.300 . 6.300 5.043 4.734 5.242 . 0 0 "[ . 1 . 2]" 1
1639 1 75 VAL H 1 100 ILE MG 4.990 . 4.990 3.592 3.177 3.930 . 0 0 "[ . 1 . 2]" 1
1640 1 75 VAL H 1 103 ALA MB 5.040 . 5.040 4.266 3.539 4.724 . 0 0 "[ . 1 . 2]" 1
1641 1 75 VAL HA 1 75 VAL MG1 3.700 . 3.700 2.346 2.258 2.424 . 0 0 "[ . 1 . 2]" 1
1642 1 75 VAL HA 1 75 VAL MG2 3.610 . 3.610 2.480 2.379 2.579 . 0 0 "[ . 1 . 2]" 1
1643 1 75 VAL HA 1 77 ALA H 5.230 . 5.230 4.481 4.307 4.683 . 0 0 "[ . 1 . 2]" 1
1644 1 75 VAL HA 1 78 TYR H 4.130 . 4.130 3.605 3.361 3.854 . 0 0 "[ . 1 . 2]" 1
1645 1 75 VAL HA 1 78 TYR HA 6.130 . 6.130 5.612 5.293 5.946 . 0 0 "[ . 1 . 2]" 1
1646 1 75 VAL HA 1 78 TYR HB2 4.630 . 4.630 3.471 3.007 3.868 . 0 0 "[ . 1 . 2]" 1
1647 1 75 VAL HA 1 78 TYR HB3 4.320 . 4.320 3.168 2.726 3.588 . 0 0 "[ . 1 . 2]" 1
1648 1 75 VAL HA 1 78 TYR QD 5.230 . 5.230 4.643 4.206 5.039 . 0 0 "[ . 1 . 2]" 1
1649 1 75 VAL HA 1 79 LEU H 5.060 . 5.060 4.648 4.350 5.030 . 0 0 "[ . 1 . 2]" 1
1650 1 75 VAL HA 1 100 ILE MD 3.890 . 3.890 2.052 1.680 2.539 . 0 0 "[ . 1 . 2]" 1
1651 1 75 VAL HA 1 100 ILE QG 6.050 . 6.050 3.669 3.306 4.016 . 0 0 "[ . 1 . 2]" 1
1652 1 75 VAL HA 1 100 ILE MG 3.790 . 3.790 2.288 1.884 2.734 . 0 0 "[ . 1 . 2]" 1
1653 1 75 VAL HA 1 103 ALA MB 6.060 . 6.060 4.127 3.619 4.502 . 0 0 "[ . 1 . 2]" 1
1654 1 75 VAL HA 1 107 VAL MG1 6.300 . 6.300 4.222 3.920 5.315 . 0 0 "[ . 1 . 2]" 1
1655 1 75 VAL HA 1 111 PHE QE 6.300 . 6.300 4.750 4.368 5.245 . 0 0 "[ . 1 . 2]" 1
1656 1 75 VAL HB 1 76 GLU H 3.600 . 3.600 2.760 2.609 2.929 . 0 0 "[ . 1 . 2]" 1
1657 1 75 VAL HB 1 100 ILE MD 5.510 . 5.510 4.139 4.031 4.244 . 0 0 "[ . 1 . 2]" 1
1658 1 75 VAL HB 1 100 ILE MG 5.630 . 5.630 4.461 4.056 5.140 . 0 0 "[ . 1 . 2]" 1
1659 1 75 VAL HB 1 107 VAL MG1 5.820 . 5.820 4.271 3.890 5.246 . 0 0 "[ . 1 . 2]" 1
1660 1 75 VAL MG1 1 76 GLU H 4.440 . 4.440 3.714 3.500 3.907 . 0 0 "[ . 1 . 2]" 1
1661 1 75 VAL MG1 1 76 GLU HA 5.810 . 5.810 3.740 3.572 3.933 . 0 0 "[ . 1 . 2]" 1
1662 1 75 VAL MG1 1 77 ALA H 5.350 . 5.350 5.217 5.061 5.352 0.002 1 0 "[ . 1 . 2]" 1
1663 1 75 VAL MG1 1 78 TYR H 5.350 . 5.350 4.617 4.358 4.853 . 0 0 "[ . 1 . 2]" 1
1664 1 75 VAL MG1 1 78 TYR HB2 4.940 . 4.940 4.611 4.167 4.906 . 0 0 "[ . 1 . 2]" 1
1665 1 75 VAL MG1 1 78 TYR HB3 4.590 . 4.590 3.649 3.175 4.059 . 0 0 "[ . 1 . 2]" 1
1666 1 75 VAL MG1 1 78 TYR QE 6.300 . 6.300 5.701 4.896 6.361 0.061 14 0 "[ . 1 . 2]" 1
1667 1 75 VAL MG1 1 79 LEU H 5.250 . 5.250 4.269 3.892 4.631 . 0 0 "[ . 1 . 2]" 1
1668 1 75 VAL MG1 1 79 LEU QB 5.370 . 5.370 3.698 3.365 4.093 . 0 0 "[ . 1 . 2]" 1
1669 1 75 VAL MG1 1 79 LEU MD2 5.320 . 5.320 4.818 4.361 5.075 . 0 0 "[ . 1 . 2]" 1
1670 1 75 VAL MG1 1 88 ILE MD 4.910 . 4.910 4.551 3.984 4.846 . 0 0 "[ . 1 . 2]" 1
1671 1 75 VAL MG1 1 90 TYR QE 5.020 . 5.020 5.061 4.760 5.239 0.219 5 0 "[ . 1 . 2]" 1
1672 1 75 VAL MG1 1 100 ILE MD 3.720 . 3.720 2.045 1.737 2.268 . 0 0 "[ . 1 . 2]" 1
1673 1 75 VAL MG1 1 100 ILE MG 4.530 . 4.530 3.339 2.786 3.972 . 0 0 "[ . 1 . 2]" 1
1674 1 75 VAL MG1 1 107 VAL HA 5.250 . 5.250 3.608 2.932 4.517 . 0 0 "[ . 1 . 2]" 1
1675 1 75 VAL MG1 1 107 VAL HB 4.790 . 4.790 4.257 4.032 4.377 . 0 0 "[ . 1 . 2]" 1
1676 1 75 VAL MG1 1 107 VAL MG1 3.700 . 3.700 1.953 1.826 3.029 . 0 0 "[ . 1 . 2]" 1
1677 1 75 VAL MG1 1 107 VAL MG2 4.330 . 4.330 2.646 1.835 3.043 . 0 0 "[ . 1 . 2]" 1
1678 1 75 VAL MG1 1 110 PHE H 5.860 . 5.860 4.735 4.224 5.260 . 0 0 "[ . 1 . 2]" 1
1679 1 75 VAL MG1 1 110 PHE HB2 5.450 . 5.450 3.156 2.335 3.796 . 0 0 "[ . 1 . 2]" 1
1680 1 75 VAL MG1 1 110 PHE HB3 5.200 . 5.200 2.899 2.589 3.237 . 0 0 "[ . 1 . 2]" 1
1681 1 75 VAL MG1 1 110 PHE QD 3.780 . 3.780 2.610 2.409 2.793 . 0 0 "[ . 1 . 2]" 1
1682 1 75 VAL MG1 1 110 PHE QE 3.840 . 3.840 2.937 2.678 3.313 . 0 0 "[ . 1 . 2]" 1
1683 1 75 VAL MG1 1 110 PHE HZ 4.890 . 4.890 3.902 3.554 4.243 . 0 0 "[ . 1 . 2]" 1
1684 1 75 VAL MG1 1 111 PHE H 5.270 . 5.270 4.640 4.336 4.890 . 0 0 "[ . 1 . 2]" 1
1685 1 75 VAL MG1 1 111 PHE QD 4.900 . 4.900 3.707 3.463 3.922 . 0 0 "[ . 1 . 2]" 1
1686 1 75 VAL MG1 1 111 PHE QE 3.720 . 3.720 2.717 2.359 3.172 . 0 0 "[ . 1 . 2]" 1
1687 1 75 VAL MG2 1 76 GLU H 4.270 . 4.270 3.766 3.591 3.921 . 0 0 "[ . 1 . 2]" 1
1688 1 75 VAL MG2 1 76 GLU HB3 6.300 . 6.300 5.472 5.261 5.685 . 0 0 "[ . 1 . 2]" 1
1689 1 75 VAL MG2 1 76 GLU QG 6.100 . 6.100 5.084 4.725 5.482 . 0 0 "[ . 1 . 2]" 1
1690 1 75 VAL MG2 1 78 TYR H 5.650 . 5.650 5.424 5.207 5.659 0.009 15 0 "[ . 1 . 2]" 1
1691 1 75 VAL MG2 1 100 ILE MD 3.600 . 3.600 2.598 2.250 3.101 . 0 0 "[ . 1 . 2]" 1
1692 1 75 VAL MG2 1 103 ALA MB 3.030 . 3.030 2.239 1.994 2.681 . 0 0 "[ . 1 . 2]" 1
1693 1 75 VAL MG2 1 107 VAL HA 5.240 . 5.240 3.853 3.443 4.428 . 0 0 "[ . 1 . 2]" 1
1694 1 75 VAL MG2 1 107 VAL HB 5.370 . 5.370 4.571 3.442 4.975 . 0 0 "[ . 1 . 2]" 1
1695 1 75 VAL MG2 1 107 VAL MG1 3.610 . 3.610 2.999 2.562 3.406 . 0 0 "[ . 1 . 2]" 1
1696 1 75 VAL MG2 1 110 PHE QD 5.660 . 5.660 4.565 4.381 4.707 . 0 0 "[ . 1 . 2]" 1
1697 1 75 VAL MG2 1 111 PHE QE 5.090 . 5.090 4.669 4.068 5.232 0.142 13 0 "[ . 1 . 2]" 1
1698 1 76 GLU H 1 76 GLU HB3 3.730 . 3.730 2.599 2.429 2.777 . 0 0 "[ . 1 . 2]" 1
1699 1 76 GLU H 1 76 GLU QG 3.420 . 3.420 2.281 2.063 2.628 . 0 0 "[ . 1 . 2]" 1
1700 1 76 GLU H 1 77 ALA H 3.480 . 3.480 2.695 2.642 2.751 . 0 0 "[ . 1 . 2]" 1
1701 1 76 GLU H 1 77 ALA MB 5.020 . 5.020 4.327 4.263 4.387 . 0 0 "[ . 1 . 2]" 1
1702 1 76 GLU H 1 78 TYR H 5.070 . 5.070 4.105 3.924 4.240 . 0 0 "[ . 1 . 2]" 1
1703 1 76 GLU H 1 78 TYR HB3 6.130 . 6.130 5.363 4.979 5.678 . 0 0 "[ . 1 . 2]" 1
1704 1 76 GLU H 1 79 LEU H 5.920 . 5.920 4.852 4.645 5.192 . 0 0 "[ . 1 . 2]" 1
1705 1 76 GLU H 1 100 ILE MD 6.300 . 6.300 5.158 4.858 5.561 . 0 0 "[ . 1 . 2]" 1
1706 1 76 GLU H 1 110 PHE QE 5.920 . 5.920 4.967 4.720 5.475 . 0 0 "[ . 1 . 2]" 1
1707 1 76 GLU HA 1 79 LEU H 4.970 . 4.970 3.281 3.085 3.552 . 0 0 "[ . 1 . 2]" 1
1708 1 76 GLU HA 1 79 LEU QB 5.130 . 5.130 2.754 2.526 3.149 . 0 0 "[ . 1 . 2]" 1
1709 1 76 GLU HA 1 80 VAL MG2 5.870 . 5.870 4.149 3.927 4.297 . 0 0 "[ . 1 . 2]" 1
1710 1 76 GLU HA 1 110 PHE QD 6.300 . 6.300 5.058 4.618 5.434 . 0 0 "[ . 1 . 2]" 1
1711 1 76 GLU HA 1 110 PHE QE 5.070 . 5.070 3.506 3.142 3.890 . 0 0 "[ . 1 . 2]" 1
1712 1 76 GLU HA 1 110 PHE HZ 4.390 . 4.390 2.747 2.364 3.305 . 0 0 "[ . 1 . 2]" 1
1713 1 76 GLU HB2 1 77 ALA H 4.480 . 4.480 3.821 3.561 3.993 . 0 0 "[ . 1 . 2]" 1
1714 1 76 GLU HB3 1 77 ALA H 4.060 . 4.060 4.011 3.915 4.107 0.047 18 0 "[ . 1 . 2]" 1
1715 1 76 GLU HB3 1 78 TYR H 5.950 . 5.950 5.772 5.597 5.889 . 0 0 "[ . 1 . 2]" 1
1716 1 76 GLU QG 1 77 ALA H 4.290 . 4.290 2.068 1.819 2.327 . 0 0 "[ . 1 . 2]" 1
1717 1 76 GLU QG 1 77 ALA MB 4.440 . 4.440 3.180 2.923 3.616 . 0 0 "[ . 1 . 2]" 1
1718 1 77 ALA H 1 77 ALA MB 2.810 . 2.810 2.213 2.198 2.230 . 0 0 "[ . 1 . 2]" 1
1719 1 77 ALA H 1 78 TYR HB2 5.370 . 5.370 4.857 4.706 5.093 . 0 0 "[ . 1 . 2]" 1
1720 1 77 ALA H 1 80 VAL MG2 4.860 . 4.860 4.676 4.416 4.815 . 0 0 "[ . 1 . 2]" 1
1721 1 77 ALA HA 1 79 LEU H 5.430 . 5.430 4.314 4.220 4.378 . 0 0 "[ . 1 . 2]" 1
1722 1 77 ALA HA 1 80 VAL H 4.120 . 4.120 3.579 3.377 3.746 . 0 0 "[ . 1 . 2]" 1
1723 1 77 ALA HA 1 80 VAL HB 3.760 . 3.760 3.138 2.850 3.418 . 0 0 "[ . 1 . 2]" 1
1724 1 77 ALA HA 1 80 VAL MG2 3.760 . 3.760 3.177 2.795 3.537 . 0 0 "[ . 1 . 2]" 1
1725 1 77 ALA HA 1 81 GLU H 5.450 . 5.450 4.435 4.261 4.689 . 0 0 "[ . 1 . 2]" 1
1726 1 77 ALA MB 1 78 TYR H 3.590 . 3.590 2.645 2.535 2.809 . 0 0 "[ . 1 . 2]" 1
1727 1 77 ALA MB 1 78 TYR HA 4.810 . 4.810 3.900 3.848 3.947 . 0 0 "[ . 1 . 2]" 1
1728 1 77 ALA MB 1 78 TYR HB3 5.540 . 5.540 4.778 4.539 4.957 . 0 0 "[ . 1 . 2]" 1
1729 1 77 ALA MB 1 79 LEU H 4.990 . 4.990 4.546 4.475 4.643 . 0 0 "[ . 1 . 2]" 1
1730 1 77 ALA MB 1 80 VAL HB 5.010 . 5.010 4.391 4.068 4.693 . 0 0 "[ . 1 . 2]" 1
1731 1 77 ALA MB 1 80 VAL MG2 4.580 . 4.580 4.380 4.046 4.662 0.082 3 0 "[ . 1 . 2]" 1
1732 1 77 ALA MB 1 81 GLU H 6.300 . 6.300 4.826 4.719 4.968 . 0 0 "[ . 1 . 2]" 1
1733 1 77 ALA MB 1 81 GLU QB 5.250 . 5.250 4.763 4.385 5.054 . 0 0 "[ . 1 . 2]" 1
1734 1 77 ALA MB 1 100 ILE MG 4.710 . 4.710 4.577 3.998 4.807 0.097 9 0 "[ . 1 . 2]" 1
1735 1 78 TYR H 1 78 TYR HB2 3.560 . 3.560 2.429 2.314 2.546 . 0 0 "[ . 1 . 2]" 1
1736 1 78 TYR H 1 78 TYR HB3 3.520 . 3.520 2.605 2.435 2.741 . 0 0 "[ . 1 . 2]" 1
1737 1 78 TYR H 1 78 TYR QD 4.630 . 4.630 4.150 4.072 4.201 . 0 0 "[ . 1 . 2]" 1
1738 1 78 TYR H 1 79 LEU QB 5.430 . 5.430 4.310 4.240 4.417 . 0 0 "[ . 1 . 2]" 1
1739 1 78 TYR H 1 80 VAL MG2 6.000 . 6.000 5.022 4.781 5.216 . 0 0 "[ . 1 . 2]" 1
1740 1 78 TYR H 1 81 GLU H 5.320 . 5.320 4.895 4.768 5.058 . 0 0 "[ . 1 . 2]" 1
1741 1 78 TYR H 1 81 GLU HG2 4.840 . 4.840 4.444 4.320 4.638 . 0 0 "[ . 1 . 2]" 1
1742 1 78 TYR H 1 100 ILE MD 5.570 . 5.570 4.387 3.983 4.737 . 0 0 "[ . 1 . 2]" 1
1743 1 78 TYR H 1 100 ILE MG 4.440 . 4.440 4.222 3.620 4.465 0.025 17 0 "[ . 1 . 2]" 1
1744 1 78 TYR HA 1 78 TYR QD 3.820 . 3.820 2.653 2.418 2.931 . 0 0 "[ . 1 . 2]" 1
1745 1 78 TYR HA 1 78 TYR QE 4.760 . 4.760 4.516 4.369 4.738 . 0 0 "[ . 1 . 2]" 1
1746 1 78 TYR HA 1 80 VAL MG2 6.300 . 6.300 5.730 5.526 5.960 . 0 0 "[ . 1 . 2]" 1
1747 1 78 TYR HA 1 81 GLU H 4.550 . 4.550 3.488 3.334 3.634 . 0 0 "[ . 1 . 2]" 1
1748 1 78 TYR HA 1 81 GLU HG2 3.800 . 3.800 1.987 1.794 2.168 . 0 0 "[ . 1 . 2]" 1
1749 1 78 TYR HA 1 81 GLU HG3 6.150 . 6.150 3.193 2.994 3.492 . 0 0 "[ . 1 . 2]" 1
1750 1 78 TYR HA 1 82 LYS H 5.060 . 5.060 4.252 4.128 4.505 . 0 0 "[ . 1 . 2]" 1
1751 1 78 TYR HA 1 100 ILE QG 5.750 . 5.750 4.730 4.303 4.974 . 0 0 "[ . 1 . 2]" 1
1752 1 78 TYR HA 1 100 ILE MG 5.440 . 5.440 5.099 4.502 5.495 0.055 2 0 "[ . 1 . 2]" 1
1753 1 78 TYR HB2 1 79 LEU H 4.490 . 4.490 3.913 3.781 4.015 . 0 0 "[ . 1 . 2]" 1
1754 1 78 TYR HB2 1 100 ILE MD 4.680 . 4.680 3.227 2.785 3.450 . 0 0 "[ . 1 . 2]" 1
1755 1 78 TYR HB2 1 100 ILE HG12 6.260 . 6.260 2.713 2.239 3.304 . 0 0 "[ . 1 . 2]" 1
1756 1 78 TYR HB2 1 100 ILE QG 5.380 . 5.380 2.688 2.225 3.261 . 0 0 "[ . 1 . 2]" 1
1757 1 78 TYR HB2 1 100 ILE HG13 6.260 . 6.260 4.398 3.873 5.000 . 0 0 "[ . 1 . 2]" 1
1758 1 78 TYR HB2 1 100 ILE MG 4.050 . 4.050 2.980 2.401 3.387 . 0 0 "[ . 1 . 2]" 1
1759 1 78 TYR HB3 1 79 LEU H 4.030 . 4.030 2.796 2.712 2.856 . 0 0 "[ . 1 . 2]" 1
1760 1 78 TYR HB3 1 100 ILE HB 6.300 . 6.300 5.651 5.406 5.819 . 0 0 "[ . 1 . 2]" 1
1761 1 78 TYR HB3 1 100 ILE MD 4.590 . 4.590 2.724 2.454 3.017 . 0 0 "[ . 1 . 2]" 1
1762 1 78 TYR HB3 1 100 ILE MG 5.060 . 5.060 3.735 3.149 4.119 . 0 0 "[ . 1 . 2]" 1
1763 1 78 TYR HB3 1 110 PHE QE 4.900 . 4.900 4.895 4.654 4.981 0.081 5 0 "[ . 1 . 2]" 1
1764 1 78 TYR QD 1 79 LEU H 4.610 . 4.610 4.034 3.603 4.313 . 0 0 "[ . 1 . 2]" 1
1765 1 78 TYR QD 1 79 LEU HA 5.210 . 5.210 3.938 3.410 4.385 . 0 0 "[ . 1 . 2]" 1
1766 1 78 TYR QD 1 79 LEU QB 6.100 . 6.100 4.487 3.872 4.954 . 0 0 "[ . 1 . 2]" 1
1767 1 78 TYR QD 1 82 LYS QG 4.190 . 4.190 3.284 2.827 4.049 . 0 0 "[ . 1 . 2]" 1
1768 1 78 TYR QD 1 88 ILE MD 4.080 . 4.080 3.058 2.675 3.498 . 0 0 "[ . 1 . 2]" 1
1769 1 78 TYR QD 1 99 ALA MB 5.460 . 5.460 4.199 3.838 4.540 . 0 0 "[ . 1 . 2]" 1
1770 1 78 TYR QD 1 100 ILE HA 4.800 . 4.800 4.160 3.406 4.692 . 0 0 "[ . 1 . 2]" 1
1771 1 78 TYR QD 1 100 ILE HB 6.080 . 6.080 5.446 5.205 5.624 . 0 0 "[ . 1 . 2]" 1
1772 1 78 TYR QD 1 100 ILE MD 3.900 . 3.900 2.617 2.391 2.879 . 0 0 "[ . 1 . 2]" 1
1773 1 78 TYR QD 1 100 ILE HG12 4.560 . 4.560 3.071 2.710 3.299 . 0 0 "[ . 1 . 2]" 1
1774 1 78 TYR QD 1 100 ILE QG 3.900 . 3.900 2.951 2.649 3.148 . 0 0 "[ . 1 . 2]" 1
1775 1 78 TYR QD 1 100 ILE HG13 4.560 . 4.560 3.855 3.634 4.169 . 0 0 "[ . 1 . 2]" 1
1776 1 78 TYR QD 1 100 ILE MG 4.510 . 4.510 3.970 3.165 4.378 . 0 0 "[ . 1 . 2]" 1
1777 1 78 TYR QE 1 82 LYS QD 5.170 . 5.170 3.770 2.589 4.440 . 0 0 "[ . 1 . 2]" 1
1778 1 78 TYR QE 1 88 ILE HA 4.630 . 4.630 3.622 3.137 4.192 . 0 0 "[ . 1 . 2]" 1
1779 1 78 TYR QE 1 88 ILE HB 4.660 . 4.660 3.594 2.444 4.515 . 0 0 "[ . 1 . 2]" 1
1780 1 78 TYR QE 1 88 ILE MD 3.710 . 3.710 2.128 1.746 2.399 . 0 0 "[ . 1 . 2]" 1
1781 1 78 TYR QE 1 88 ILE QG 5.310 . 5.310 4.140 3.687 4.478 . 0 0 "[ . 1 . 2]" 1
1782 1 78 TYR QE 1 88 ILE MG 6.300 . 6.300 4.957 4.045 5.584 . 0 0 "[ . 1 . 2]" 1
1783 1 78 TYR QE 1 99 ALA MB 3.930 . 3.930 2.907 2.411 3.490 . 0 0 "[ . 1 . 2]" 1
1784 1 78 TYR QE 1 100 ILE MD 4.610 . 4.610 3.718 3.293 4.192 . 0 0 "[ . 1 . 2]" 1
1785 1 78 TYR QE 1 100 ILE QG 4.390 . 4.390 3.564 3.204 3.773 . 0 0 "[ . 1 . 2]" 1
1786 1 78 TYR QE 1 111 PHE QE 4.860 . 4.860 4.033 3.224 4.674 . 0 0 "[ . 1 . 2]" 1
1787 1 79 LEU H 1 79 LEU HB2 3.660 . 3.660 2.391 2.326 2.437 . 0 0 "[ . 1 . 2]" 1
1788 1 79 LEU H 1 79 LEU HB3 3.660 . 3.660 2.588 2.509 2.660 . 0 0 "[ . 1 . 2]" 1
1789 1 79 LEU H 1 79 LEU MD2 4.370 . 4.370 4.064 3.990 4.113 . 0 0 "[ . 1 . 2]" 1
1790 1 79 LEU H 1 79 LEU HG 5.230 . 5.230 4.552 4.518 4.580 . 0 0 "[ . 1 . 2]" 1
1791 1 79 LEU H 1 80 VAL H 3.600 . 3.600 2.631 2.557 2.718 . 0 0 "[ . 1 . 2]" 1
1792 1 79 LEU H 1 80 VAL HA 5.820 . 5.820 5.254 5.189 5.317 . 0 0 "[ . 1 . 2]" 1
1793 1 79 LEU H 1 80 VAL MG2 5.660 . 5.660 4.019 3.789 4.115 . 0 0 "[ . 1 . 2]" 1
1794 1 79 LEU H 1 81 GLU H 4.820 . 4.820 4.177 4.034 4.285 . 0 0 "[ . 1 . 2]" 1
1795 1 79 LEU H 1 82 LYS H 6.220 . 6.220 4.787 4.711 4.974 . 0 0 "[ . 1 . 2]" 1
1796 1 79 LEU H 1 110 PHE QE 4.950 . 4.950 3.981 3.692 4.215 . 0 0 "[ . 1 . 2]" 1
1797 1 79 LEU H 1 110 PHE HZ 5.280 . 5.280 4.407 4.116 4.646 . 0 0 "[ . 1 . 2]" 1
1798 1 79 LEU HA 1 79 LEU MD2 3.100 . 3.100 2.024 1.931 2.112 . 0 0 "[ . 1 . 2]" 1
1799 1 79 LEU HA 1 82 LYS H 4.120 . 4.120 3.520 3.397 3.654 . 0 0 "[ . 1 . 2]" 1
1800 1 79 LEU HA 1 82 LYS QD 5.470 . 5.470 5.356 3.943 5.620 0.150 14 0 "[ . 1 . 2]" 1
1801 1 79 LEU HA 1 83 GLN H 4.420 . 4.420 4.112 3.765 4.339 . 0 0 "[ . 1 . 2]" 1
1802 1 79 LEU HA 1 83 GLN HA 6.090 . 6.090 5.595 5.217 5.829 . 0 0 "[ . 1 . 2]" 1
1803 1 79 LEU HA 1 84 ASP H 4.620 . 4.620 4.225 4.052 4.463 . 0 0 "[ . 1 . 2]" 1
1804 1 79 LEU HA 1 111 PHE QE 5.390 . 5.390 3.392 2.961 4.358 . 0 0 "[ . 1 . 2]" 1
1805 1 79 LEU QB 1 80 VAL H 3.840 . 3.840 2.585 2.512 2.734 . 0 0 "[ . 1 . 2]" 1
1806 1 79 LEU QB 1 80 VAL HA 6.100 . 6.100 4.120 4.023 4.176 . 0 0 "[ . 1 . 2]" 1
1807 1 79 LEU QB 1 110 PHE QE 3.720 . 3.720 1.956 1.767 2.233 . 0 0 "[ . 1 . 2]" 1
1808 1 79 LEU QB 1 110 PHE HZ 4.130 . 4.130 2.391 2.254 2.565 . 0 0 "[ . 1 . 2]" 1
1809 1 79 LEU QB 1 111 PHE QE 6.100 . 6.100 3.979 3.654 4.593 . 0 0 "[ . 1 . 2]" 1
1810 1 79 LEU QB 1 114 ALA MB 6.100 . 6.100 4.755 4.553 4.913 . 0 0 "[ . 1 . 2]" 1
1811 1 79 LEU HB2 1 80 VAL H 4.430 . 4.430 3.809 3.754 3.874 . 0 0 "[ . 1 . 2]" 1
1812 1 79 LEU HB2 1 110 PHE QE 4.480 . 4.480 1.967 1.774 2.252 . 0 0 "[ . 1 . 2]" 1
1813 1 79 LEU HB2 1 110 PHE HZ 4.800 . 4.800 2.566 2.365 2.803 . 0 0 "[ . 1 . 2]" 1
1814 1 79 LEU HB3 1 80 VAL H 4.430 . 4.430 2.630 2.550 2.800 . 0 0 "[ . 1 . 2]" 1
1815 1 79 LEU HB3 1 110 PHE QE 4.480 . 4.480 3.458 3.269 3.702 . 0 0 "[ . 1 . 2]" 1
1816 1 79 LEU HB3 1 110 PHE HZ 4.800 . 4.800 2.869 2.695 3.003 . 0 0 "[ . 1 . 2]" 1
1817 1 79 LEU MD1 1 83 GLN H 5.310 . 5.310 4.070 3.823 4.191 . 0 0 "[ . 1 . 2]" 1
1818 1 79 LEU MD1 1 83 GLN HE21 4.600 . 4.600 4.567 4.331 4.762 0.162 17 0 "[ . 1 . 2]" 1
1819 1 79 LEU MD1 1 110 PHE HZ 4.990 . 4.990 3.303 2.959 3.533 . 0 0 "[ . 1 . 2]" 1
1820 1 79 LEU MD2 1 80 VAL H 5.400 . 5.400 4.398 4.340 4.527 . 0 0 "[ . 1 . 2]" 1
1821 1 79 LEU MD2 1 82 LYS H 4.370 . 4.370 4.385 4.256 4.472 0.102 6 0 "[ . 1 . 2]" 1
1822 1 79 LEU MD2 1 82 LYS HB2 4.220 . 4.220 3.254 3.062 3.814 . 0 0 "[ . 1 . 2]" 1
1823 1 79 LEU MD2 1 82 LYS HB3 4.080 . 4.080 4.098 3.797 4.236 0.156 7 0 "[ . 1 . 2]" 1
1824 1 79 LEU MD2 1 82 LYS QG 4.590 . 4.590 4.278 3.897 4.709 0.119 3 0 "[ . 1 . 2]" 1
1825 1 79 LEU MD2 1 83 GLN H 4.030 . 4.030 3.862 3.492 4.064 0.034 11 0 "[ . 1 . 2]" 1
1826 1 79 LEU MD2 1 83 GLN HA 4.860 . 4.860 4.390 3.954 4.643 . 0 0 "[ . 1 . 2]" 1
1827 1 79 LEU MD2 1 84 ASP H 3.400 . 3.400 3.012 2.796 3.307 . 0 0 "[ . 1 . 2]" 1
1828 1 79 LEU MD2 1 85 PRO HA 3.410 . 3.410 2.090 1.910 2.312 . 0 0 "[ . 1 . 2]" 1
1829 1 79 LEU MD2 1 85 PRO HB2 4.460 . 4.460 3.994 3.618 4.314 . 0 0 "[ . 1 . 2]" 1
1830 1 79 LEU MD2 1 85 PRO HB3 3.540 . 3.540 2.896 2.378 3.168 . 0 0 "[ . 1 . 2]" 1
1831 1 79 LEU MD2 1 85 PRO HD2 4.780 . 4.780 4.690 4.582 4.750 . 0 0 "[ . 1 . 2]" 1
1832 1 79 LEU MD2 1 85 PRO HD3 3.750 . 3.750 3.762 3.614 3.836 0.086 19 0 "[ . 1 . 2]" 1
1833 1 79 LEU MD2 1 85 PRO HG2 5.250 . 5.250 4.958 4.740 5.156 . 0 0 "[ . 1 . 2]" 1
1834 1 79 LEU MD2 1 85 PRO QG 4.470 . 4.470 4.257 3.954 4.416 . 0 0 "[ . 1 . 2]" 1
1835 1 79 LEU MD2 1 85 PRO HG3 5.250 . 5.250 4.639 4.233 4.864 . 0 0 "[ . 1 . 2]" 1
1836 1 79 LEU MD2 1 86 THR H 5.170 . 5.170 4.548 4.310 4.768 . 0 0 "[ . 1 . 2]" 1
1837 1 79 LEU MD2 1 87 ASP H 5.330 . 5.330 4.801 4.388 5.277 . 0 0 "[ . 1 . 2]" 1
1838 1 79 LEU MD2 1 110 PHE QD 5.300 . 5.300 4.203 3.891 4.424 . 0 0 "[ . 1 . 2]" 1
1839 1 79 LEU MD2 1 110 PHE QE 3.630 . 3.630 2.709 2.366 2.933 . 0 0 "[ . 1 . 2]" 1
1840 1 79 LEU MD2 1 110 PHE HZ 3.870 . 3.870 3.850 3.671 3.900 0.030 15 0 "[ . 1 . 2]" 1
1841 1 79 LEU MD2 1 111 PHE HA 5.520 . 5.520 4.172 3.959 4.634 . 0 0 "[ . 1 . 2]" 1
1842 1 79 LEU MD2 1 111 PHE QE 3.960 . 3.960 2.253 1.968 2.814 . 0 0 "[ . 1 . 2]" 1
1843 1 79 LEU MD2 1 114 ALA MB 5.230 . 5.230 3.099 2.860 3.370 . 0 0 "[ . 1 . 2]" 1
1844 1 79 LEU HG 1 80 VAL H 5.870 . 5.870 5.059 4.939 5.243 . 0 0 "[ . 1 . 2]" 1
1845 1 79 LEU HG 1 80 VAL HA 6.300 . 6.300 5.882 5.719 6.056 . 0 0 "[ . 1 . 2]" 1
1846 1 79 LEU HG 1 110 PHE HZ 5.070 . 5.070 2.352 2.056 2.500 . 0 0 "[ . 1 . 2]" 1
1847 1 79 LEU HG 1 114 ALA MB 5.480 . 5.480 3.514 3.316 3.742 . 0 0 "[ . 1 . 2]" 1
1848 1 80 VAL H 1 80 VAL HB 3.450 . 3.450 2.565 2.507 2.627 . 0 0 "[ . 1 . 2]" 1
1849 1 80 VAL H 1 80 VAL MG1 4.270 . 4.270 3.797 3.782 3.819 . 0 0 "[ . 1 . 2]" 1
1850 1 80 VAL H 1 80 VAL MG2 3.180 . 3.180 2.100 2.018 2.196 . 0 0 "[ . 1 . 2]" 1
1851 1 80 VAL H 1 81 GLU H 3.320 . 3.320 2.727 2.664 2.833 . 0 0 "[ . 1 . 2]" 1
1852 1 80 VAL H 1 82 LYS H 5.020 . 5.020 4.072 3.996 4.195 . 0 0 "[ . 1 . 2]" 1
1853 1 80 VAL H 1 83 GLN H 5.580 . 5.580 4.817 4.728 4.890 . 0 0 "[ . 1 . 2]" 1
1854 1 80 VAL HA 1 80 VAL MG1 3.440 . 3.440 2.438 2.378 2.477 . 0 0 "[ . 1 . 2]" 1
1855 1 80 VAL HA 1 80 VAL MG2 3.480 . 3.480 2.393 2.353 2.456 . 0 0 "[ . 1 . 2]" 1
1856 1 80 VAL HA 1 81 GLU HA 6.000 . 6.000 4.676 4.647 4.735 . 0 0 "[ . 1 . 2]" 1
1857 1 80 VAL HA 1 83 GLN H 4.690 . 4.690 3.609 3.358 3.892 . 0 0 "[ . 1 . 2]" 1
1858 1 80 VAL HA 1 83 GLN HA 5.320 . 5.320 3.933 3.640 4.302 . 0 0 "[ . 1 . 2]" 1
1859 1 80 VAL HA 1 83 GLN HB3 6.300 . 6.300 6.219 6.026 6.380 0.080 13 0 "[ . 1 . 2]" 1
1860 1 80 VAL HA 1 83 GLN HE21 4.070 . 4.070 2.839 2.517 3.036 . 0 0 "[ . 1 . 2]" 1
1861 1 80 VAL HA 1 83 GLN HE22 4.490 . 4.490 3.500 3.095 3.984 . 0 0 "[ . 1 . 2]" 1
1862 1 80 VAL HA 1 83 GLN HG3 6.300 . 6.300 6.235 5.946 6.346 0.046 4 0 "[ . 1 . 2]" 1
1863 1 80 VAL HB 1 81 GLU H 3.480 . 3.480 2.851 2.695 2.967 . 0 0 "[ . 1 . 2]" 1
1864 1 80 VAL MG1 1 81 GLU H 4.420 . 4.420 3.625 3.451 3.763 . 0 0 "[ . 1 . 2]" 1
1865 1 80 VAL MG1 1 81 GLU HA 4.600 . 4.600 3.590 3.405 3.754 . 0 0 "[ . 1 . 2]" 1
1866 1 80 VAL MG1 1 83 GLN HE21 4.140 . 4.140 3.364 2.973 3.750 . 0 0 "[ . 1 . 2]" 1
1867 1 80 VAL MG1 1 83 GLN HE22 4.410 . 4.410 3.301 2.906 3.586 . 0 0 "[ . 1 . 2]" 1
1868 1 80 VAL MG1 1 83 GLN HG3 6.160 . 6.160 5.820 5.527 6.167 0.007 13 0 "[ . 1 . 2]" 1
1869 1 80 VAL MG2 1 81 GLU H 5.060 . 5.060 3.957 3.886 4.047 . 0 0 "[ . 1 . 2]" 1
1870 1 81 GLU H 1 81 GLU QB 3.260 . 3.260 2.628 2.476 2.741 . 0 0 "[ . 1 . 2]" 1
1871 1 81 GLU H 1 81 GLU HG2 3.390 . 3.390 2.195 2.058 2.446 . 0 0 "[ . 1 . 2]" 1
1872 1 81 GLU H 1 81 GLU HG3 3.970 . 3.970 3.246 2.891 3.601 . 0 0 "[ . 1 . 2]" 1
1873 1 81 GLU H 1 82 LYS H 3.360 . 3.360 2.549 2.517 2.652 . 0 0 "[ . 1 . 2]" 1
1874 1 81 GLU H 1 82 LYS HB2 4.980 . 4.980 4.603 4.287 4.764 . 0 0 "[ . 1 . 2]" 1
1875 1 81 GLU H 1 82 LYS QG 5.840 . 5.840 4.598 4.257 5.856 0.016 3 0 "[ . 1 . 2]" 1
1876 1 81 GLU H 1 83 GLN HE21 6.000 . 6.000 4.879 4.681 5.089 . 0 0 "[ . 1 . 2]" 1
1877 1 81 GLU HA 1 81 GLU HG2 4.160 . 4.160 3.788 3.701 3.885 . 0 0 "[ . 1 . 2]" 1
1878 1 81 GLU HA 1 81 GLU HG3 4.040 . 4.040 3.743 3.674 3.834 . 0 0 "[ . 1 . 2]" 1
1879 1 81 GLU HA 1 83 GLN HG3 6.300 . 6.300 5.501 5.029 5.956 . 0 0 "[ . 1 . 2]" 1
1880 1 81 GLU QB 1 82 LYS H 4.180 . 4.180 3.661 3.568 3.726 . 0 0 "[ . 1 . 2]" 1
1881 1 81 GLU QB 1 82 LYS HA 4.780 . 4.780 4.465 4.247 4.587 . 0 0 "[ . 1 . 2]" 1
1882 1 81 GLU QB 1 83 GLN H 5.860 . 5.860 5.209 5.098 5.344 . 0 0 "[ . 1 . 2]" 1
1883 1 81 GLU HG2 1 82 LYS H 3.380 . 3.380 3.051 2.776 3.349 . 0 0 "[ . 1 . 2]" 1
1884 1 81 GLU HG2 1 82 LYS QG 4.580 . 4.580 3.728 3.259 4.652 0.072 3 0 "[ . 1 . 2]" 1
1885 1 81 GLU HG2 1 83 GLN H 6.300 . 6.300 5.356 5.133 5.637 . 0 0 "[ . 1 . 2]" 1
1886 1 81 GLU HG3 1 82 LYS H 4.480 . 4.480 2.762 2.402 3.109 . 0 0 "[ . 1 . 2]" 1
1887 1 81 GLU HG3 1 82 LYS HA 4.350 . 4.350 3.642 3.267 3.976 . 0 0 "[ . 1 . 2]" 1
1888 1 81 GLU HG3 1 82 LYS QD 5.800 . 5.800 3.802 2.130 4.873 . 0 0 "[ . 1 . 2]" 1
1889 1 81 GLU HG3 1 82 LYS QG 4.990 . 4.990 2.762 2.246 4.092 . 0 0 "[ . 1 . 2]" 1
1890 1 82 LYS H 1 82 LYS HB2 3.630 . 3.630 2.298 2.107 2.436 . 0 0 "[ . 1 . 2]" 1
1891 1 82 LYS H 1 82 LYS HB3 4.030 . 4.030 3.555 3.262 3.622 . 0 0 "[ . 1 . 2]" 1
1892 1 82 LYS H 1 82 LYS QG 4.670 . 4.670 2.806 2.464 3.904 . 0 0 "[ . 1 . 2]" 1
1893 1 82 LYS H 1 83 GLN H 3.460 . 3.460 2.429 2.365 2.502 . 0 0 "[ . 1 . 2]" 1
1894 1 82 LYS H 1 83 GLN HA 5.110 . 5.110 4.663 4.598 4.746 . 0 0 "[ . 1 . 2]" 1
1895 1 82 LYS H 1 84 ASP H 4.950 . 4.950 4.230 4.070 4.452 . 0 0 "[ . 1 . 2]" 1
1896 1 82 LYS HA 1 82 LYS QG 3.570 . 3.570 2.704 2.256 2.957 . 0 0 "[ . 1 . 2]" 1
1897 1 82 LYS HA 1 83 GLN HG3 6.300 . 6.300 5.756 5.437 6.108 . 0 0 "[ . 1 . 2]" 1
1898 1 82 LYS HA 1 84 ASP H 4.730 . 4.730 4.291 4.071 4.421 . 0 0 "[ . 1 . 2]" 1
1899 1 82 LYS HA 1 84 ASP QB 5.120 . 5.120 4.586 4.005 5.329 0.209 2 0 "[ . 1 . 2]" 1
1900 1 82 LYS HB2 1 83 GLN H 4.340 . 4.340 2.919 2.798 3.207 . 0 0 "[ . 1 . 2]" 1
1901 1 82 LYS HB2 1 84 ASP H 3.830 . 3.830 2.902 2.537 3.560 . 0 0 "[ . 1 . 2]" 1
1902 1 82 LYS HB3 1 83 GLN H 5.020 . 5.020 3.588 3.122 3.742 . 0 0 "[ . 1 . 2]" 1
1903 1 82 LYS HB3 1 84 ASP H 3.920 . 3.920 2.705 2.280 3.019 . 0 0 "[ . 1 . 2]" 1
1904 1 82 LYS HB3 1 84 ASP HA 6.180 . 6.180 4.990 4.481 5.507 . 0 0 "[ . 1 . 2]" 1
1905 1 82 LYS HB3 1 87 ASP H 5.550 . 5.550 4.709 4.282 5.435 . 0 0 "[ . 1 . 2]" 1
1906 1 83 GLN H 1 83 GLN HE21 4.150 . 4.150 2.890 2.658 3.114 . 0 0 "[ . 1 . 2]" 1
1907 1 83 GLN H 1 83 GLN HG2 4.530 . 4.530 3.000 2.921 3.119 . 0 0 "[ . 1 . 2]" 1
1908 1 83 GLN H 1 83 GLN HG3 5.060 . 5.060 4.513 4.441 4.598 . 0 0 "[ . 1 . 2]" 1
1909 1 83 GLN H 1 84 ASP H 3.700 . 3.700 2.667 2.597 2.757 . 0 0 "[ . 1 . 2]" 1
1910 1 83 GLN HA 1 83 GLN HE21 5.110 . 5.110 2.297 2.156 2.425 . 0 0 "[ . 1 . 2]" 1
1911 1 83 GLN HB2 1 84 ASP H 4.430 . 4.430 3.986 3.917 4.076 . 0 0 "[ . 1 . 2]" 1
1912 1 83 GLN HB3 1 83 GLN HE21 4.360 . 4.360 3.773 3.613 3.900 . 0 0 "[ . 1 . 2]" 1
1913 1 83 GLN HB3 1 83 GLN HE22 4.850 . 4.850 4.248 4.078 4.367 . 0 0 "[ . 1 . 2]" 1
1914 1 83 GLN HB3 1 84 ASP H 4.920 . 4.920 4.380 4.282 4.442 . 0 0 "[ . 1 . 2]" 1
1915 1 83 GLN HE22 1 83 GLN HG2 4.290 . 4.290 3.477 3.453 3.498 . 0 0 "[ . 1 . 2]" 1
1916 1 83 GLN HG2 1 84 ASP H 5.120 . 5.120 4.932 4.831 5.067 . 0 0 "[ . 1 . 2]" 1
1917 1 84 ASP H 1 84 ASP HB2 4.130 . 4.130 3.161 2.664 3.938 . 0 0 "[ . 1 . 2]" 1
1918 1 84 ASP H 1 84 ASP QB 3.350 . 3.350 2.704 2.585 2.936 . 0 0 "[ . 1 . 2]" 1
1919 1 84 ASP H 1 84 ASP HB3 4.130 . 4.130 2.974 2.858 3.487 . 0 0 "[ . 1 . 2]" 1
1920 1 84 ASP H 1 85 PRO HD2 4.840 . 4.840 4.755 4.541 4.967 0.127 2 0 "[ . 1 . 2]" 1
1921 1 84 ASP H 1 85 PRO HD3 6.300 . 6.300 4.283 4.044 4.398 . 0 0 "[ . 1 . 2]" 1
1922 1 84 ASP H 1 87 ASP H 5.210 . 5.210 5.007 4.751 5.255 0.045 1 0 "[ . 1 . 2]" 1
1923 1 84 ASP H 1 87 ASP HB2 6.130 . 6.130 5.434 4.761 6.167 0.037 2 0 "[ . 1 . 2]" 1
1924 1 84 ASP H 1 87 ASP HB3 5.090 . 5.090 4.702 4.222 5.259 0.169 2 0 "[ . 1 . 2]" 1
1925 1 84 ASP HA 1 85 PRO HD2 3.600 . 3.600 2.146 1.932 2.492 . 0 0 "[ . 1 . 2]" 1
1926 1 84 ASP HA 1 85 PRO HD3 3.740 . 3.740 2.285 1.978 2.546 . 0 0 "[ . 1 . 2]" 1
1927 1 84 ASP HA 1 85 PRO QG 5.190 . 5.190 3.852 3.765 3.905 . 0 0 "[ . 1 . 2]" 1
1928 1 84 ASP HA 1 86 THR H 4.740 . 4.740 3.811 3.425 4.082 . 0 0 "[ . 1 . 2]" 1
1929 1 84 ASP HA 1 87 ASP H 5.180 . 5.180 4.680 4.204 5.241 0.061 2 0 "[ . 1 . 2]" 1
1930 1 84 ASP QB 1 86 THR H 6.100 . 6.100 3.478 3.059 3.690 . 0 0 "[ . 1 . 2]" 1
1931 1 84 ASP QB 1 87 ASP H 4.240 . 4.240 3.011 2.246 4.033 . 0 0 "[ . 1 . 2]" 1
1932 1 84 ASP QB 1 87 ASP HB2 4.610 . 4.610 2.620 2.044 4.385 . 0 0 "[ . 1 . 2]" 1
1933 1 84 ASP QB 1 87 ASP HB3 4.390 . 4.390 2.608 1.825 4.530 0.140 2 0 "[ . 1 . 2]" 1
1934 1 85 PRO HA 1 110 PHE HZ 6.130 . 6.130 6.287 6.080 6.344 0.214 18 0 "[ . 1 . 2]" 1
1935 1 85 PRO HA 1 111 PHE HA 5.940 . 5.940 4.043 3.772 4.236 . 0 0 "[ . 1 . 2]" 1
1936 1 85 PRO HA 1 111 PHE QD 3.960 . 3.960 2.572 2.192 3.080 . 0 0 "[ . 1 . 2]" 1
1937 1 85 PRO HA 1 114 ALA MB 5.010 . 5.010 3.028 2.731 3.420 . 0 0 "[ . 1 . 2]" 1
1938 1 85 PRO HB2 1 86 THR MG 5.100 . 5.100 4.707 4.257 4.971 . 0 0 "[ . 1 . 2]" 1
1939 1 85 PRO HB2 1 111 PHE HA 5.810 . 5.810 4.235 3.585 4.791 . 0 0 "[ . 1 . 2]" 1
1940 1 85 PRO HB2 1 111 PHE QD 4.710 . 4.710 4.045 3.544 4.545 . 0 0 "[ . 1 . 2]" 1
1941 1 85 PRO HB2 1 114 ALA MB 4.060 . 4.060 2.416 2.100 2.569 . 0 0 "[ . 1 . 2]" 1
1942 1 85 PRO HB2 1 115 GLN H 4.550 . 4.550 3.229 2.995 3.718 . 0 0 "[ . 1 . 2]" 1
1943 1 85 PRO HB2 1 115 GLN HA 4.960 . 4.960 2.923 2.595 3.526 . 0 0 "[ . 1 . 2]" 1
1944 1 85 PRO HB2 1 115 GLN HE21 5.350 . 5.350 4.458 3.744 5.233 . 0 0 "[ . 1 . 2]" 1
1945 1 85 PRO HB2 1 115 GLN HG2 4.680 . 4.680 3.307 2.693 3.639 . 0 0 "[ . 1 . 2]" 1
1946 1 85 PRO HB2 1 115 GLN HG3 4.360 . 4.360 2.630 2.232 3.161 . 0 0 "[ . 1 . 2]" 1
1947 1 85 PRO HB2 1 118 LEU MD1 5.020 . 5.020 3.451 3.013 3.742 . 0 0 "[ . 1 . 2]" 1
1948 1 85 PRO HB3 1 86 THR MG 5.870 . 5.870 5.502 5.049 5.713 . 0 0 "[ . 1 . 2]" 1
1949 1 85 PRO HB3 1 111 PHE QD 4.940 . 4.940 4.505 4.062 4.999 0.059 1 0 "[ . 1 . 2]" 1
1950 1 85 PRO HB3 1 114 ALA MB 3.870 . 3.870 2.200 2.043 2.352 . 0 0 "[ . 1 . 2]" 1
1951 1 85 PRO HB3 1 115 GLN H 5.440 . 5.440 4.485 4.026 5.096 . 0 0 "[ . 1 . 2]" 1
1952 1 85 PRO HB3 1 115 GLN HA 5.970 . 5.970 4.126 3.659 4.697 . 0 0 "[ . 1 . 2]" 1
1953 1 85 PRO HB3 1 115 GLN HG2 5.160 . 5.160 4.959 4.325 5.242 0.082 13 0 "[ . 1 . 2]" 1
1954 1 85 PRO HB3 1 115 GLN HG3 4.910 . 4.910 4.378 3.952 4.870 . 0 0 "[ . 1 . 2]" 1
1955 1 85 PRO HD2 1 86 THR H 4.450 . 4.450 3.063 2.767 3.417 . 0 0 "[ . 1 . 2]" 1
1956 1 85 PRO HD2 1 86 THR HB 5.270 . 5.270 4.833 4.104 5.182 . 0 0 "[ . 1 . 2]" 1
1957 1 85 PRO HD2 1 86 THR MG 5.290 . 5.290 3.360 2.906 3.905 . 0 0 "[ . 1 . 2]" 1
1958 1 85 PRO HD2 1 115 GLN HA 5.780 . 5.780 5.391 5.070 5.867 0.087 13 0 "[ . 1 . 2]" 1
1959 1 85 PRO HD2 1 115 GLN HG2 5.700 . 5.700 5.153 4.655 5.711 0.011 1 0 "[ . 1 . 2]" 1
1960 1 85 PRO HD2 1 118 LEU MD1 4.770 . 4.770 3.866 3.565 4.193 . 0 0 "[ . 1 . 2]" 1
1961 1 85 PRO HD3 1 86 THR H 4.920 . 4.920 4.148 3.905 4.344 . 0 0 "[ . 1 . 2]" 1
1962 1 85 PRO HD3 1 86 THR MG 5.740 . 5.740 4.835 4.378 5.261 . 0 0 "[ . 1 . 2]" 1
1963 1 85 PRO HD3 1 87 ASP H 5.790 . 5.790 5.625 5.411 5.830 0.040 2 0 "[ . 1 . 2]" 1
1964 1 85 PRO HD3 1 118 LEU MD1 4.330 . 4.330 2.993 2.412 3.423 . 0 0 "[ . 1 . 2]" 1
1965 1 85 PRO QG 1 86 THR H 4.410 . 4.410 3.198 2.744 3.534 . 0 0 "[ . 1 . 2]" 1
1966 1 85 PRO QG 1 115 GLN HA 3.800 . 3.800 2.906 2.626 3.360 . 0 0 "[ . 1 . 2]" 1
1967 1 85 PRO QG 1 115 GLN HG2 4.260 . 4.260 3.014 2.544 3.596 . 0 0 "[ . 1 . 2]" 1
1968 1 85 PRO QG 1 115 GLN HG3 5.400 . 5.400 3.526 3.149 4.235 . 0 0 "[ . 1 . 2]" 1
1969 1 85 PRO QG 1 118 LEU MD1 3.590 . 3.590 1.926 1.620 2.199 . 0 0 "[ . 1 . 2]" 1
1970 1 85 PRO HG2 1 86 THR MG 5.110 . 5.110 3.304 2.597 3.617 . 0 0 "[ . 1 . 2]" 1
1971 1 85 PRO HG2 1 115 GLN HA 4.400 . 4.400 3.172 2.894 3.586 . 0 0 "[ . 1 . 2]" 1
1972 1 85 PRO HG2 1 115 GLN HG2 5.030 . 5.030 3.068 2.586 3.680 . 0 0 "[ . 1 . 2]" 1
1973 1 85 PRO HG2 1 118 LEU MD1 4.300 . 4.300 3.367 3.019 3.644 . 0 0 "[ . 1 . 2]" 1
1974 1 85 PRO HG3 1 86 THR MG 5.110 . 5.110 4.765 4.097 5.111 0.001 20 0 "[ . 1 . 2]" 1
1975 1 85 PRO HG3 1 115 GLN HA 4.400 . 4.400 3.396 2.878 4.057 . 0 0 "[ . 1 . 2]" 1
1976 1 85 PRO HG3 1 115 GLN HG2 5.030 . 5.030 4.427 3.773 5.056 0.026 1 0 "[ . 1 . 2]" 1
1977 1 85 PRO HG3 1 118 LEU MD1 4.300 . 4.300 1.938 1.625 2.217 . 0 0 "[ . 1 . 2]" 1
1978 1 86 THR H 1 86 THR MG 3.550 . 3.550 2.300 2.003 2.400 . 0 0 "[ . 1 . 2]" 1
1979 1 86 THR H 1 87 ASP H 3.120 . 3.120 1.966 1.860 2.101 . 0 0 "[ . 1 . 2]" 1
1980 1 86 THR H 1 87 ASP HB2 5.640 . 5.640 4.042 3.812 4.309 . 0 0 "[ . 1 . 2]" 1
1981 1 86 THR H 1 87 ASP HB3 5.330 . 5.330 4.398 4.259 4.602 . 0 0 "[ . 1 . 2]" 1
1982 1 86 THR H 1 111 PHE QE 6.300 . 6.300 4.666 3.893 5.226 . 0 0 "[ . 1 . 2]" 1
1983 1 86 THR H 1 115 GLN HE21 6.300 . 6.300 5.643 4.406 6.205 . 0 0 "[ . 1 . 2]" 1
1984 1 86 THR H 1 115 GLN HG2 5.910 . 5.910 4.477 4.098 4.751 . 0 0 "[ . 1 . 2]" 1
1985 1 86 THR HA 1 86 THR MG 3.540 . 3.540 3.236 3.221 3.246 . 0 0 "[ . 1 . 2]" 1
1986 1 86 THR HA 1 88 ILE MG 4.420 . 4.420 3.143 2.696 3.881 . 0 0 "[ . 1 . 2]" 1
1987 1 86 THR HA 1 115 GLN HE21 3.800 . 3.800 3.356 2.098 3.804 0.004 5 0 "[ . 1 . 2]" 1
1988 1 86 THR HA 1 115 GLN HE22 3.980 . 3.980 3.712 2.903 4.037 0.057 7 0 "[ . 1 . 2]" 1
1989 1 86 THR HA 1 115 GLN HG2 5.400 . 5.400 3.790 2.872 4.414 . 0 0 "[ . 1 . 2]" 1
1990 1 86 THR HB 1 115 GLN HG2 5.620 . 5.620 2.218 1.963 2.686 . 0 0 "[ . 1 . 2]" 1
1991 1 86 THR MG 1 87 ASP H 4.290 . 4.290 3.133 2.778 3.355 . 0 0 "[ . 1 . 2]" 1
1992 1 86 THR MG 1 115 GLN HA 5.420 . 5.420 5.229 4.634 5.495 0.075 14 0 "[ . 1 . 2]" 1
1993 1 86 THR MG 1 115 GLN HB3 5.800 . 5.800 5.277 4.767 5.524 . 0 0 "[ . 1 . 2]" 1
1994 1 86 THR MG 1 115 GLN HG2 3.730 . 3.730 3.575 3.187 3.782 0.052 2 0 "[ . 1 . 2]" 1
1995 1 86 THR MG 1 115 GLN HG3 5.090 . 5.090 4.523 4.081 4.736 . 0 0 "[ . 1 . 2]" 1
1996 1 87 ASP H 1 87 ASP HB2 3.380 . 3.380 2.634 2.523 2.837 . 0 0 "[ . 1 . 2]" 1
1997 1 87 ASP H 1 87 ASP HB3 3.370 . 3.370 2.671 2.532 2.809 . 0 0 "[ . 1 . 2]" 1
1998 1 87 ASP H 1 88 ILE MG 4.630 . 4.630 4.003 3.609 4.503 . 0 0 "[ . 1 . 2]" 1
1999 1 87 ASP H 1 111 PHE QD 4.610 . 4.610 4.005 3.508 4.446 . 0 0 "[ . 1 . 2]" 1
2000 1 87 ASP H 1 111 PHE QE 5.170 . 5.170 4.076 3.101 4.827 . 0 0 "[ . 1 . 2]" 1
2001 1 87 ASP HA 1 88 ILE H 2.840 . 2.840 2.157 2.080 2.235 . 0 0 "[ . 1 . 2]" 1
2002 1 87 ASP HA 1 88 ILE HA 5.100 . 5.100 4.337 4.291 4.381 . 0 0 "[ . 1 . 2]" 1
2003 1 87 ASP HA 1 88 ILE MG 4.690 . 4.690 3.946 3.782 4.072 . 0 0 "[ . 1 . 2]" 1
2004 1 87 ASP HB2 1 88 ILE H 5.020 . 5.020 4.527 4.414 4.619 . 0 0 "[ . 1 . 2]" 1
2005 1 87 ASP HB2 1 88 ILE HA 6.300 . 6.300 5.945 5.779 6.003 . 0 0 "[ . 1 . 2]" 1
2006 1 87 ASP HB3 1 88 ILE H 4.820 . 4.820 4.376 4.267 4.437 . 0 0 "[ . 1 . 2]" 1
2007 1 88 ILE H 1 88 ILE HB 3.940 . 3.940 3.465 3.365 3.539 . 0 0 "[ . 1 . 2]" 1
2008 1 88 ILE H 1 88 ILE MD 4.660 . 4.660 4.450 4.395 4.517 . 0 0 "[ . 1 . 2]" 1
2009 1 88 ILE H 1 88 ILE QG 4.830 . 4.830 4.323 4.273 4.364 . 0 0 "[ . 1 . 2]" 1
2010 1 88 ILE H 1 88 ILE MG 3.150 . 3.150 2.641 2.554 2.716 . 0 0 "[ . 1 . 2]" 1
2011 1 88 ILE H 1 89 LYS H 4.700 . 4.700 4.204 4.078 4.268 . 0 0 "[ . 1 . 2]" 1
2012 1 88 ILE H 1 89 LYS HA 5.110 . 5.110 4.608 4.505 4.773 . 0 0 "[ . 1 . 2]" 1
2013 1 88 ILE HA 1 88 ILE MD 3.410 . 3.410 2.100 2.007 2.198 . 0 0 "[ . 1 . 2]" 1
2014 1 88 ILE HA 1 89 LYS H 3.040 . 3.040 2.259 2.118 2.309 . 0 0 "[ . 1 . 2]" 1
2015 1 88 ILE HA 1 89 LYS HB2 5.320 . 5.320 4.384 4.167 4.554 . 0 0 "[ . 1 . 2]" 1
2016 1 88 ILE HA 1 89 LYS HB3 5.320 . 5.320 4.720 4.511 5.557 0.237 16 0 "[ . 1 . 2]" 1
2017 1 88 ILE HB 1 88 ILE MD 3.490 . 3.490 2.387 2.348 2.432 . 0 0 "[ . 1 . 2]" 1
2018 1 88 ILE HB 1 89 LYS H 4.470 . 4.470 4.102 4.041 4.171 . 0 0 "[ . 1 . 2]" 1
2019 1 88 ILE HB 1 111 PHE QD 5.530 . 5.530 3.678 3.324 4.113 . 0 0 "[ . 1 . 2]" 1
2020 1 88 ILE HB 1 111 PHE QE 5.060 . 5.060 3.372 3.211 3.667 . 0 0 "[ . 1 . 2]" 1
2021 1 88 ILE MD 1 88 ILE MG 3.620 . 3.620 3.252 3.238 3.266 . 0 0 "[ . 1 . 2]" 1
2022 1 88 ILE MD 1 89 LYS H 3.300 . 3.300 2.301 2.107 2.526 . 0 0 "[ . 1 . 2]" 1
2023 1 88 ILE MD 1 89 LYS HA 5.250 . 5.250 4.658 4.488 4.815 . 0 0 "[ . 1 . 2]" 1
2024 1 88 ILE MD 1 89 LYS QB 5.000 . 5.000 4.215 3.997 4.515 . 0 0 "[ . 1 . 2]" 1
2025 1 88 ILE MD 1 90 TYR QE 4.680 . 4.680 3.453 3.219 3.816 . 0 0 "[ . 1 . 2]" 1
2026 1 88 ILE MD 1 97 THR HA 5.530 . 5.530 4.674 4.167 5.284 . 0 0 "[ . 1 . 2]" 1
2027 1 88 ILE MD 1 97 THR HB 4.350 . 4.350 2.921 2.370 3.374 . 0 0 "[ . 1 . 2]" 1
2028 1 88 ILE MD 1 97 THR MG 3.280 . 3.280 2.446 1.755 2.866 . 0 0 "[ . 1 . 2]" 1
2029 1 88 ILE MD 1 99 ALA H 5.290 . 5.290 4.314 3.896 5.002 . 0 0 "[ . 1 . 2]" 1
2030 1 88 ILE MD 1 99 ALA MB 3.920 . 3.920 2.926 2.414 3.532 . 0 0 "[ . 1 . 2]" 1
2031 1 88 ILE MD 1 100 ILE MD 3.840 . 3.840 2.761 2.226 3.463 . 0 0 "[ . 1 . 2]" 1
2032 1 88 ILE MD 1 111 PHE QD 5.210 . 5.210 4.060 3.649 4.417 . 0 0 "[ . 1 . 2]" 1
2033 1 88 ILE MD 1 111 PHE QE 4.380 . 4.380 3.017 2.743 3.406 . 0 0 "[ . 1 . 2]" 1
2034 1 88 ILE QG 1 89 LYS H 3.750 . 3.750 2.457 2.319 2.714 . 0 0 "[ . 1 . 2]" 1
2035 1 88 ILE QG 1 90 TYR QD 5.960 . 5.960 3.513 3.259 3.722 . 0 0 "[ . 1 . 2]" 1
2036 1 88 ILE QG 1 90 TYR QE 4.190 . 4.190 2.589 2.322 2.859 . 0 0 "[ . 1 . 2]" 1
2037 1 88 ILE QG 1 97 THR HB 6.100 . 6.100 3.331 2.986 3.948 . 0 0 "[ . 1 . 2]" 1
2038 1 88 ILE QG 1 108 LYS HA 5.900 . 5.900 4.917 4.567 5.245 . 0 0 "[ . 1 . 2]" 1
2039 1 88 ILE QG 1 111 PHE QD 4.980 . 4.980 3.160 2.912 3.339 . 0 0 "[ . 1 . 2]" 1
2040 1 88 ILE QG 1 111 PHE QE 5.210 . 5.210 3.180 2.968 3.474 . 0 0 "[ . 1 . 2]" 1
2041 1 88 ILE HG12 1 89 LYS H 4.390 . 4.390 4.045 3.908 4.228 . 0 0 "[ . 1 . 2]" 1
2042 1 88 ILE HG12 1 90 TYR QE 4.840 . 4.840 2.724 2.400 3.026 . 0 0 "[ . 1 . 2]" 1
2043 1 88 ILE HG12 1 97 THR MG 5.240 . 5.240 3.770 2.995 4.076 . 0 0 "[ . 1 . 2]" 1
2044 1 88 ILE HG12 1 111 PHE QD 5.870 . 5.870 3.207 2.947 3.400 . 0 0 "[ . 1 . 2]" 1
2045 1 88 ILE HG13 1 89 LYS H 4.390 . 4.390 2.479 2.335 2.747 . 0 0 "[ . 1 . 2]" 1
2046 1 88 ILE HG13 1 90 TYR QE 4.840 . 4.840 3.251 3.085 3.514 . 0 0 "[ . 1 . 2]" 1
2047 1 88 ILE HG13 1 97 THR MG 5.240 . 5.240 4.073 3.242 4.497 . 0 0 "[ . 1 . 2]" 1
2048 1 88 ILE HG13 1 111 PHE QD 5.870 . 5.870 4.760 4.557 4.894 . 0 0 "[ . 1 . 2]" 1
2049 1 88 ILE MG 1 89 LYS H 4.340 . 4.340 3.779 3.676 3.951 . 0 0 "[ . 1 . 2]" 1
2050 1 88 ILE MG 1 89 LYS HA 4.670 . 4.670 3.806 3.563 4.088 . 0 0 "[ . 1 . 2]" 1
2051 1 88 ILE MG 1 89 LYS QB 5.290 . 5.290 4.843 4.653 5.216 . 0 0 "[ . 1 . 2]" 1
2052 1 88 ILE MG 1 90 TYR QD 4.900 . 4.900 4.029 3.768 4.280 . 0 0 "[ . 1 . 2]" 1
2053 1 88 ILE MG 1 90 TYR QE 3.950 . 3.950 2.922 2.667 3.077 . 0 0 "[ . 1 . 2]" 1
2054 1 88 ILE MG 1 97 THR MG 5.510 . 5.510 5.102 4.468 5.381 . 0 0 "[ . 1 . 2]" 1
2055 1 88 ILE MG 1 107 VAL MG1 4.970 . 4.970 3.968 3.490 4.371 . 0 0 "[ . 1 . 2]" 1
2056 1 88 ILE MG 1 108 LYS HA 4.430 . 4.430 4.393 4.203 4.530 0.100 15 0 "[ . 1 . 2]" 1
2057 1 88 ILE MG 1 111 PHE HB2 4.600 . 4.600 2.726 2.465 3.062 . 0 0 "[ . 1 . 2]" 1
2058 1 88 ILE MG 1 111 PHE HB3 4.400 . 4.400 2.732 2.510 2.890 . 0 0 "[ . 1 . 2]" 1
2059 1 88 ILE MG 1 111 PHE QD 3.920 . 3.920 2.921 2.790 3.052 . 0 0 "[ . 1 . 2]" 1
2060 1 88 ILE MG 1 111 PHE QE 4.480 . 4.480 3.718 3.462 4.054 . 0 0 "[ . 1 . 2]" 1
2061 1 88 ILE MG 1 115 GLN HE21 4.780 . 4.780 4.588 3.827 4.868 0.088 10 0 "[ . 1 . 2]" 1
2062 1 88 ILE MG 1 115 GLN HE22 4.940 . 4.940 4.640 3.978 4.915 . 0 0 "[ . 1 . 2]" 1
2063 1 89 LYS H 1 89 LYS HB2 3.740 . 3.740 3.049 2.619 3.238 . 0 0 "[ . 1 . 2]" 1
2064 1 89 LYS H 1 89 LYS QB 3.270 . 3.270 2.569 2.442 2.678 . 0 0 "[ . 1 . 2]" 1
2065 1 89 LYS H 1 89 LYS HB3 3.740 . 3.740 2.820 2.595 3.742 0.002 16 0 "[ . 1 . 2]" 1
2066 1 89 LYS H 1 90 TYR H 5.210 . 5.210 4.275 4.113 4.418 . 0 0 "[ . 1 . 2]" 1
2067 1 89 LYS H 1 90 TYR QD 5.130 . 5.130 5.046 4.874 5.169 0.039 2 0 "[ . 1 . 2]" 1
2068 1 89 LYS H 1 90 TYR QE 5.310 . 5.310 5.263 5.058 5.368 0.058 4 0 "[ . 1 . 2]" 1
2069 1 89 LYS H 1 97 THR HB 5.260 . 5.260 4.617 4.282 5.270 0.010 4 0 "[ . 1 . 2]" 1
2070 1 89 LYS HA 1 90 TYR H 3.110 . 3.110 2.148 2.107 2.221 . 0 0 "[ . 1 . 2]" 1
2071 1 89 LYS HA 1 90 TYR QD 4.730 . 4.730 4.256 3.675 4.631 . 0 0 "[ . 1 . 2]" 1
2072 1 89 LYS HA 1 90 TYR QE 5.630 . 5.630 5.056 4.508 5.465 . 0 0 "[ . 1 . 2]" 1
2073 1 89 LYS QB 1 90 TYR QD 6.100 . 6.100 5.473 5.269 5.629 . 0 0 "[ . 1 . 2]" 1
2074 1 89 LYS HB2 1 90 TYR H 4.710 . 4.710 4.252 4.110 4.396 . 0 0 "[ . 1 . 2]" 1
2075 1 89 LYS HB3 1 90 TYR H 4.710 . 4.710 4.048 3.171 4.324 . 0 0 "[ . 1 . 2]" 1
2076 1 89 LYS QG 1 90 TYR H 4.810 . 4.810 2.909 2.431 3.911 . 0 0 "[ . 1 . 2]" 1
2077 1 90 TYR H 1 90 TYR HB2 4.350 . 4.350 2.729 2.614 2.819 . 0 0 "[ . 1 . 2]" 1
2078 1 90 TYR H 1 90 TYR HB3 4.180 . 4.180 3.767 3.699 3.827 . 0 0 "[ . 1 . 2]" 1
2079 1 90 TYR H 1 90 TYR QD 3.980 . 3.980 3.084 2.836 3.268 . 0 0 "[ . 1 . 2]" 1
2080 1 90 TYR H 1 90 TYR QE 5.170 . 5.170 4.661 4.536 4.854 . 0 0 "[ . 1 . 2]" 1
2081 1 90 TYR HA 1 90 TYR QD 3.740 . 3.740 2.627 2.433 2.882 . 0 0 "[ . 1 . 2]" 1
2082 1 90 TYR HA 1 91 LYS H 3.540 . 3.540 2.228 2.165 2.302 . 0 0 "[ . 1 . 2]" 1
2083 1 90 TYR HB2 1 91 LYS H 4.230 . 4.230 3.738 3.513 4.008 . 0 0 "[ . 1 . 2]" 1
2084 1 90 TYR HB2 1 92 ASP H 4.090 . 4.090 4.091 3.632 4.275 0.185 3 0 "[ . 1 . 2]" 1
2085 1 90 TYR HB2 1 94 ASP H 5.830 . 5.830 5.882 5.669 5.979 0.149 7 0 "[ . 1 . 2]" 1
2086 1 90 TYR HB2 1 95 GLY H 5.110 . 5.110 5.046 4.680 5.204 0.094 19 0 "[ . 1 . 2]" 1
2087 1 90 TYR HB3 1 91 LYS H 4.530 . 4.530 2.810 2.559 3.183 . 0 0 "[ . 1 . 2]" 1
2088 1 90 TYR HB3 1 92 ASP H 4.900 . 4.900 4.030 3.557 4.339 . 0 0 "[ . 1 . 2]" 1
2089 1 90 TYR HB3 1 94 ASP H 6.260 . 6.260 5.366 5.180 5.555 . 0 0 "[ . 1 . 2]" 1
2090 1 90 TYR HB3 1 95 GLY H 5.500 . 5.500 4.139 3.927 4.401 . 0 0 "[ . 1 . 2]" 1
2091 1 90 TYR HB3 1 95 GLY HA2 5.470 . 5.470 2.383 2.096 2.863 . 0 0 "[ . 1 . 2]" 1
2092 1 90 TYR HB3 1 95 GLY HA3 5.820 . 5.820 3.985 3.739 4.450 . 0 0 "[ . 1 . 2]" 1
2093 1 90 TYR HB3 1 108 LYS QG 5.740 . 5.740 5.464 4.410 5.896 0.156 16 0 "[ . 1 . 2]" 1
2094 1 90 TYR QD 1 91 LYS H 4.650 . 4.650 4.059 3.890 4.237 . 0 0 "[ . 1 . 2]" 1
2095 1 90 TYR QD 1 92 ASP H 6.280 . 6.280 5.680 5.279 5.864 . 0 0 "[ . 1 . 2]" 1
2096 1 90 TYR QD 1 94 ASP H 6.300 . 6.300 6.439 6.365 6.530 0.230 11 0 "[ . 1 . 2]" 1
2097 1 90 TYR QD 1 95 GLY H 6.300 . 6.300 5.143 5.040 5.321 . 0 0 "[ . 1 . 2]" 1
2098 1 90 TYR QD 1 95 GLY HA2 4.240 . 4.240 3.162 2.940 3.379 . 0 0 "[ . 1 . 2]" 1
2099 1 90 TYR QD 1 95 GLY HA3 4.710 . 4.710 3.956 3.722 4.281 . 0 0 "[ . 1 . 2]" 1
2100 1 90 TYR QD 1 96 HIS H 4.870 . 4.870 4.094 3.719 4.389 . 0 0 "[ . 1 . 2]" 1
2101 1 90 TYR QD 1 97 THR HB 4.160 . 4.160 2.056 1.737 2.354 . 0 0 "[ . 1 . 2]" 1
2102 1 90 TYR QD 1 97 THR MG 3.860 . 3.860 3.132 2.797 3.414 . 0 0 "[ . 1 . 2]" 1
2103 1 90 TYR QE 1 95 GLY HA2 4.710 . 4.710 4.269 3.995 4.546 . 0 0 "[ . 1 . 2]" 1
2104 1 90 TYR QE 1 95 GLY HA3 5.080 . 5.080 4.341 4.146 4.721 . 0 0 "[ . 1 . 2]" 1
2105 1 90 TYR QE 1 97 THR HB 5.050 . 5.050 3.022 2.561 3.691 . 0 0 "[ . 1 . 2]" 1
2106 1 90 TYR QE 1 97 THR MG 3.160 . 3.160 3.014 2.651 3.244 0.084 13 0 "[ . 1 . 2]" 1
2107 1 90 TYR QE 1 107 VAL H 4.910 . 4.910 3.960 3.572 4.469 . 0 0 "[ . 1 . 2]" 1
2108 1 90 TYR QE 1 107 VAL HB 5.340 . 5.340 2.297 1.652 4.466 . 0 0 "[ . 1 . 2]" 1
2109 1 90 TYR QE 1 107 VAL MG1 4.440 . 4.440 2.377 1.942 2.763 . 0 0 "[ . 1 . 2]" 1
2110 1 90 TYR QE 1 108 LYS H 4.510 . 4.510 3.906 3.550 4.239 . 0 0 "[ . 1 . 2]" 1
2111 1 90 TYR QE 1 108 LYS HA 3.450 . 3.450 2.902 2.721 3.112 . 0 0 "[ . 1 . 2]" 1
2112 1 90 TYR QE 1 108 LYS QB 5.410 . 5.410 3.611 3.056 4.115 . 0 0 "[ . 1 . 2]" 1
2113 1 90 TYR QE 1 108 LYS QD 5.740 . 5.740 4.611 2.908 5.815 0.075 9 0 "[ . 1 . 2]" 1
2114 1 90 TYR QE 1 111 PHE HB2 5.270 . 5.270 3.916 3.602 4.122 . 0 0 "[ . 1 . 2]" 1
2115 1 90 TYR QE 1 111 PHE QD 4.300 . 4.300 3.557 3.265 3.767 . 0 0 "[ . 1 . 2]" 1
2116 1 90 TYR QE 1 111 PHE QE 4.490 . 4.490 4.233 3.764 4.479 . 0 0 "[ . 1 . 2]" 1
2117 1 91 LYS H 1 91 LYS HD2 4.250 . 4.250 3.394 3.260 3.583 . 0 0 "[ . 1 . 2]" 1
2118 1 91 LYS H 1 91 LYS QG 3.660 . 3.660 2.413 2.138 2.660 . 0 0 "[ . 1 . 2]" 1
2119 1 91 LYS H 1 92 ASP H 3.870 . 3.870 3.649 3.221 3.890 0.020 9 0 "[ . 1 . 2]" 1
2120 1 91 LYS H 1 96 HIS H 4.160 . 4.160 4.124 3.616 4.266 0.106 11 0 "[ . 1 . 2]" 1
2121 1 91 LYS H 1 97 THR HB 5.040 . 5.040 4.685 3.936 5.064 0.024 3 0 "[ . 1 . 2]" 1
2122 1 91 LYS QB 1 91 LYS HD3 3.910 . 3.910 2.838 2.716 2.938 . 0 0 "[ . 1 . 2]" 1
2123 1 91 LYS QB 1 91 LYS HE2 4.230 . 4.230 3.115 2.125 3.637 . 0 0 "[ . 1 . 2]" 1
2124 1 91 LYS QB 1 91 LYS HE3 3.800 . 3.800 2.317 2.020 3.058 . 0 0 "[ . 1 . 2]" 1
2125 1 91 LYS QB 1 92 ASP H 4.270 . 4.270 3.832 3.743 3.957 . 0 0 "[ . 1 . 2]" 1
2126 1 91 LYS HB2 1 91 LYS HE3 4.480 . 4.480 2.348 2.031 3.146 . 0 0 "[ . 1 . 2]" 1
2127 1 91 LYS HB2 1 92 ASP H 4.860 . 4.860 4.185 4.079 4.316 . 0 0 "[ . 1 . 2]" 1
2128 1 91 LYS HB3 1 91 LYS HE3 4.480 . 4.480 3.737 3.553 4.158 . 0 0 "[ . 1 . 2]" 1
2129 1 91 LYS HB3 1 92 ASP H 4.860 . 4.860 4.445 4.345 4.599 . 0 0 "[ . 1 . 2]" 1
2130 1 91 LYS HD2 1 96 HIS HB2 5.750 . 5.750 5.524 4.956 5.890 0.140 3 0 "[ . 1 . 2]" 1
2131 1 91 LYS HD2 1 96 HIS HB3 5.150 . 5.150 5.022 4.370 5.212 0.062 14 0 "[ . 1 . 2]" 1
2132 1 91 LYS HD2 1 97 THR H 5.970 . 5.970 5.248 4.730 5.720 . 0 0 "[ . 1 . 2]" 1
2133 1 91 LYS HD2 1 97 THR HA 4.750 . 4.750 3.255 2.447 3.900 . 0 0 "[ . 1 . 2]" 1
2134 1 91 LYS HD2 1 98 ASP H 4.510 . 4.510 2.703 2.279 3.138 . 0 0 "[ . 1 . 2]" 1
2135 1 91 LYS HD2 1 98 ASP QB 4.970 . 4.970 2.183 1.535 3.455 . 0 0 "[ . 1 . 2]" 1
2136 1 91 LYS HD2 1 99 ALA H 5.910 . 5.910 4.768 4.380 5.150 . 0 0 "[ . 1 . 2]" 1
2137 1 91 LYS HD3 1 96 HIS HB3 5.290 . 5.290 4.118 3.152 4.556 . 0 0 "[ . 1 . 2]" 1
2138 1 91 LYS HD3 1 97 THR HA 4.680 . 4.680 3.352 2.617 4.134 . 0 0 "[ . 1 . 2]" 1
2139 1 91 LYS HD3 1 98 ASP H 5.190 . 5.190 3.859 3.591 4.356 . 0 0 "[ . 1 . 2]" 1
2140 1 91 LYS HD3 1 98 ASP QB 4.870 . 4.870 3.692 3.237 4.666 . 0 0 "[ . 1 . 2]" 1
2141 1 91 LYS HE2 1 92 ASP HA 5.750 . 5.750 5.417 4.656 5.820 0.070 17 0 "[ . 1 . 2]" 1
2142 1 91 LYS HE2 1 96 HIS HB3 5.090 . 5.090 4.844 4.069 5.282 0.192 8 0 "[ . 1 . 2]" 1
2143 1 91 LYS HE2 1 97 THR HA 6.300 . 6.300 5.287 4.078 5.994 . 0 0 "[ . 1 . 2]" 1
2144 1 91 LYS HE3 1 98 ASP QB 4.900 . 4.900 4.018 3.136 4.777 . 0 0 "[ . 1 . 2]" 1
2145 1 91 LYS QG 1 92 ASP H 5.120 . 5.120 4.970 4.833 5.039 . 0 0 "[ . 1 . 2]" 1
2146 1 91 LYS QG 1 96 HIS HB3 6.090 . 6.090 5.917 4.899 6.170 0.080 13 0 "[ . 1 . 2]" 1
2147 1 91 LYS QG 1 97 THR HA 4.830 . 4.830 3.608 3.153 4.086 . 0 0 "[ . 1 . 2]" 1
2148 1 91 LYS QG 1 98 ASP H 4.490 . 4.490 3.486 3.069 4.246 . 0 0 "[ . 1 . 2]" 1
2149 1 91 LYS QG 1 98 ASP HA 6.260 . 6.260 5.271 4.172 6.366 0.106 18 0 "[ . 1 . 2]" 1
2150 1 92 ASP H 1 92 ASP QB 3.810 . 3.810 2.913 2.696 3.246 . 0 0 "[ . 1 . 2]" 1
2151 1 92 ASP QB 1 94 ASP H 4.470 . 4.470 2.482 1.965 3.490 . 0 0 "[ . 1 . 2]" 1
2152 1 92 ASP QB 1 96 HIS H 4.190 . 4.190 2.081 1.667 3.856 . 0 0 "[ . 1 . 2]" 1
2153 1 93 ASN HA 1 94 ASP HB2 5.380 . 5.380 5.299 5.139 5.489 0.109 4 0 "[ . 1 . 2]" 1
2154 1 93 ASN QB 1 94 ASP H 4.270 . 4.270 3.351 2.799 3.965 . 0 0 "[ . 1 . 2]" 1
2155 1 93 ASN HB2 1 94 ASP H 4.980 . 4.980 3.794 2.995 4.430 . 0 0 "[ . 1 . 2]" 1
2156 1 93 ASN HB3 1 94 ASP H 4.980 . 4.980 3.966 2.853 4.567 . 0 0 "[ . 1 . 2]" 1
2157 1 94 ASP H 1 94 ASP HB2 3.750 . 3.750 2.913 2.470 3.063 . 0 0 "[ . 1 . 2]" 1
2158 1 94 ASP H 1 94 ASP HB3 4.040 . 4.040 2.990 2.656 3.646 . 0 0 "[ . 1 . 2]" 1
2159 1 94 ASP H 1 95 GLY H 3.560 . 3.560 2.160 2.025 2.393 . 0 0 "[ . 1 . 2]" 1
2160 1 94 ASP H 1 95 GLY HA2 4.960 . 4.960 4.276 4.066 4.533 . 0 0 "[ . 1 . 2]" 1
2161 1 94 ASP H 1 95 GLY HA3 5.260 . 5.260 4.736 4.606 4.950 . 0 0 "[ . 1 . 2]" 1
2162 1 94 ASP H 1 96 HIS H 4.610 . 4.610 3.642 3.514 3.907 . 0 0 "[ . 1 . 2]" 1
2163 1 94 ASP HB2 1 95 GLY H 4.770 . 4.770 3.433 2.572 3.701 . 0 0 "[ . 1 . 2]" 1
2164 1 94 ASP HB2 1 96 HIS H 5.690 . 5.690 5.323 4.185 5.701 0.011 3 0 "[ . 1 . 2]" 1
2165 1 94 ASP HB2 1 106 LYS H 6.300 . 6.300 6.466 5.917 6.605 0.305 6 0 "[ . 1 . 2]" 1
2166 1 94 ASP HB3 1 95 GLY H 4.400 . 4.400 2.352 2.001 3.175 . 0 0 "[ . 1 . 2]" 1
2167 1 94 ASP HB3 1 96 HIS H 5.260 . 5.260 4.183 3.687 5.309 0.049 4 0 "[ . 1 . 2]" 1
2168 1 94 ASP HB3 1 106 LYS H 5.400 . 5.400 5.303 4.975 5.607 0.207 4 0 "[ . 1 . 2]" 1
2169 1 95 GLY H 1 96 HIS H 3.290 . 3.290 2.100 1.804 2.345 . 0 0 "[ . 1 . 2]" 1
2170 1 95 GLY H 1 108 LYS QB 5.200 . 5.200 4.358 4.016 5.131 . 0 0 "[ . 1 . 2]" 1
2171 1 95 GLY H 1 108 LYS QG 5.880 . 5.880 5.042 3.942 5.949 0.069 5 0 "[ . 1 . 2]" 1
2172 1 95 GLY HA2 1 107 VAL H 5.850 . 5.850 4.838 4.387 5.196 . 0 0 "[ . 1 . 2]" 1
2173 1 95 GLY HA2 1 107 VAL MG1 6.300 . 6.300 6.063 4.617 6.348 0.048 1 0 "[ . 1 . 2]" 1
2174 1 95 GLY HA2 1 108 LYS H 4.480 . 4.480 4.214 3.995 4.483 0.003 16 0 "[ . 1 . 2]" 1
2175 1 95 GLY HA2 1 108 LYS QB 4.440 . 4.440 2.976 2.764 3.414 . 0 0 "[ . 1 . 2]" 1
2176 1 95 GLY HA2 1 108 LYS QD 6.200 . 6.200 4.898 3.430 5.783 . 0 0 "[ . 1 . 2]" 1
2177 1 95 GLY HA2 1 108 LYS QG 4.960 . 4.960 3.721 2.876 4.172 . 0 0 "[ . 1 . 2]" 1
2178 1 95 GLY HA3 1 107 VAL H 4.910 . 4.910 3.841 3.297 4.361 . 0 0 "[ . 1 . 2]" 1
2179 1 95 GLY HA3 1 107 VAL MG1 5.910 . 5.910 5.585 4.285 5.915 0.005 16 0 "[ . 1 . 2]" 1
2180 1 95 GLY HA3 1 108 LYS H 4.030 . 4.030 2.764 2.441 3.160 . 0 0 "[ . 1 . 2]" 1
2181 1 95 GLY HA3 1 108 LYS HB2 4.770 . 4.770 2.181 1.432 3.975 . 0 0 "[ . 1 . 2]" 1
2182 1 95 GLY HA3 1 108 LYS QB 3.940 . 3.940 1.788 1.429 2.485 . 0 0 "[ . 1 . 2]" 1
2183 1 95 GLY HA3 1 108 LYS HB3 4.770 . 4.770 2.894 1.878 3.488 . 0 0 "[ . 1 . 2]" 1
2184 1 95 GLY HA3 1 108 LYS QD 5.280 . 5.280 4.023 2.226 4.923 . 0 0 "[ . 1 . 2]" 1
2185 1 96 HIS H 1 96 HIS HB2 3.540 . 3.540 2.397 2.278 2.727 . 0 0 "[ . 1 . 2]" 1
2186 1 96 HIS H 1 96 HIS HB3 3.940 . 3.940 3.560 2.521 3.721 . 0 0 "[ . 1 . 2]" 1
2187 1 96 HIS H 1 96 HIS HD2 5.660 . 5.660 4.682 3.692 5.211 . 0 0 "[ . 1 . 2]" 1
2188 1 96 HIS H 1 97 THR H 4.670 . 4.670 4.490 4.432 4.541 . 0 0 "[ . 1 . 2]" 1
2189 1 96 HIS H 1 97 THR MG 5.640 . 5.640 5.454 5.253 5.607 . 0 0 "[ . 1 . 2]" 1
2190 1 96 HIS H 1 106 LYS HA 5.500 . 5.500 4.493 4.170 5.232 . 0 0 "[ . 1 . 2]" 1
2191 1 96 HIS HA 1 96 HIS HD2 4.230 . 4.230 2.586 2.091 3.105 . 0 0 "[ . 1 . 2]" 1
2192 1 96 HIS HA 1 97 THR H 3.370 . 3.370 2.169 2.090 2.278 . 0 0 "[ . 1 . 2]" 1
2193 1 96 HIS HA 1 106 LYS HA 4.550 . 4.550 3.190 2.828 4.495 . 0 0 "[ . 1 . 2]" 1
2194 1 96 HIS HA 1 107 VAL H 4.660 . 4.660 3.217 2.867 3.686 . 0 0 "[ . 1 . 2]" 1
2195 1 96 HIS HB2 1 97 THR H 4.780 . 4.780 4.110 3.839 4.279 . 0 0 "[ . 1 . 2]" 1
2196 1 96 HIS HB3 1 97 THR H 4.000 . 4.000 3.033 2.671 4.032 0.032 3 0 "[ . 1 . 2]" 1
2197 1 96 HIS HB3 1 97 THR HA 5.260 . 5.260 4.429 4.017 4.746 . 0 0 "[ . 1 . 2]" 1
2198 1 96 HIS HD2 1 97 THR H 5.080 . 5.080 3.789 3.272 4.619 . 0 0 "[ . 1 . 2]" 1
2199 1 96 HIS HD2 1 105 ILE H 4.990 . 4.990 4.479 2.811 5.031 0.041 2 0 "[ . 1 . 2]" 1
2200 1 96 HIS HD2 1 105 ILE HA 5.000 . 5.000 4.341 3.600 5.090 0.090 14 0 "[ . 1 . 2]" 1
2201 1 96 HIS HD2 1 106 LYS H 6.280 . 6.280 4.311 3.279 5.529 . 0 0 "[ . 1 . 2]" 1
2202 1 96 HIS HD2 1 106 LYS HA 4.360 . 4.360 3.094 2.072 4.355 . 0 0 "[ . 1 . 2]" 1
2203 1 96 HIS HD2 1 106 LYS QG 6.280 . 6.280 5.174 3.606 6.209 . 0 0 "[ . 1 . 2]" 1
2204 1 97 THR H 1 97 THR MG 3.260 . 3.260 2.146 1.968 2.377 . 0 0 "[ . 1 . 2]" 1
2205 1 97 THR H 1 98 ASP H 4.820 . 4.820 4.409 4.312 4.481 . 0 0 "[ . 1 . 2]" 1
2206 1 97 THR H 1 98 ASP HA 5.720 . 5.720 4.905 4.634 5.159 . 0 0 "[ . 1 . 2]" 1
2207 1 97 THR H 1 99 ALA H 5.400 . 5.400 5.164 5.016 5.321 . 0 0 "[ . 1 . 2]" 1
2208 1 97 THR H 1 99 ALA MB 6.210 . 6.210 6.005 5.773 6.190 . 0 0 "[ . 1 . 2]" 1
2209 1 97 THR H 1 100 ILE H 5.710 . 5.710 5.087 4.736 5.450 . 0 0 "[ . 1 . 2]" 1
2210 1 97 THR H 1 100 ILE HB 6.300 . 6.300 4.963 4.556 5.556 . 0 0 "[ . 1 . 2]" 1
2211 1 97 THR H 1 107 VAL H 5.300 . 5.300 4.377 3.953 4.751 . 0 0 "[ . 1 . 2]" 1
2212 1 97 THR HA 1 98 ASP H 3.220 . 3.220 2.202 2.131 2.286 . 0 0 "[ . 1 . 2]" 1
2213 1 97 THR HA 1 98 ASP QB 4.650 . 4.650 3.979 3.859 4.316 . 0 0 "[ . 1 . 2]" 1
2214 1 97 THR HA 1 99 ALA H 3.950 . 3.950 3.660 3.495 3.820 . 0 0 "[ . 1 . 2]" 1
2215 1 97 THR HA 1 99 ALA MB 5.100 . 5.100 4.745 4.517 4.952 . 0 0 "[ . 1 . 2]" 1
2216 1 97 THR HA 1 100 ILE H 5.730 . 5.730 4.956 4.675 5.419 . 0 0 "[ . 1 . 2]" 1
2217 1 97 THR HB 1 98 ASP H 4.670 . 4.670 3.936 3.844 4.023 . 0 0 "[ . 1 . 2]" 1
2218 1 97 THR HB 1 99 ALA H 4.710 . 4.710 4.209 4.096 4.394 . 0 0 "[ . 1 . 2]" 1
2219 1 97 THR HB 1 99 ALA MB 4.530 . 4.530 4.386 4.225 4.579 0.049 16 0 "[ . 1 . 2]" 1
2220 1 97 THR MG 1 98 ASP H 4.740 . 4.740 3.912 3.740 4.046 . 0 0 "[ . 1 . 2]" 1
2221 1 97 THR MG 1 99 ALA H 3.750 . 3.750 3.403 3.135 3.781 0.031 15 0 "[ . 1 . 2]" 1
2222 1 97 THR MG 1 100 ILE H 3.620 . 3.620 2.461 1.993 3.220 . 0 0 "[ . 1 . 2]" 1
2223 1 97 THR MG 1 100 ILE HB 4.050 . 4.050 2.393 2.023 3.050 . 0 0 "[ . 1 . 2]" 1
2224 1 97 THR MG 1 100 ILE MD 3.550 . 3.550 2.078 1.785 2.432 . 0 0 "[ . 1 . 2]" 1
2225 1 97 THR MG 1 100 ILE HG12 4.850 . 4.850 3.755 3.633 3.906 . 0 0 "[ . 1 . 2]" 1
2226 1 97 THR MG 1 100 ILE QG 3.980 . 3.980 2.427 2.234 2.729 . 0 0 "[ . 1 . 2]" 1
2227 1 97 THR MG 1 100 ILE HG13 4.850 . 4.850 2.458 2.255 2.786 . 0 0 "[ . 1 . 2]" 1
2228 1 97 THR MG 1 103 ALA H 6.060 . 6.060 4.741 4.162 5.397 . 0 0 "[ . 1 . 2]" 1
2229 1 97 THR MG 1 111 PHE QE 4.050 . 4.050 3.993 3.630 4.176 0.126 7 0 "[ . 1 . 2]" 1
2230 1 98 ASP H 1 98 ASP HB2 4.160 . 4.160 2.643 2.334 3.747 . 0 0 "[ . 1 . 2]" 1
2231 1 98 ASP H 1 98 ASP QB 3.530 . 3.530 2.358 2.238 2.841 . 0 0 "[ . 1 . 2]" 1
2232 1 98 ASP H 1 98 ASP HB3 4.160 . 4.160 2.724 2.577 2.982 . 0 0 "[ . 1 . 2]" 1
2233 1 98 ASP H 1 99 ALA H 3.310 . 3.310 2.199 2.057 2.388 . 0 0 "[ . 1 . 2]" 1
2234 1 98 ASP H 1 99 ALA HA 5.470 . 5.470 4.746 4.571 4.877 . 0 0 "[ . 1 . 2]" 1
2235 1 98 ASP H 1 99 ALA MB 4.440 . 4.440 3.795 3.654 3.916 . 0 0 "[ . 1 . 2]" 1
2236 1 98 ASP H 1 100 ILE H 5.490 . 5.490 4.261 4.028 4.441 . 0 0 "[ . 1 . 2]" 1
2237 1 98 ASP HA 1 99 ALA HA 6.170 . 6.170 4.763 4.659 4.860 . 0 0 "[ . 1 . 2]" 1
2238 1 98 ASP HA 1 100 ILE H 4.730 . 4.730 4.184 3.568 4.753 0.023 5 0 "[ . 1 . 2]" 1
2239 1 98 ASP QB 1 99 ALA H 4.300 . 4.300 3.253 3.051 3.883 . 0 0 "[ . 1 . 2]" 1
2240 1 98 ASP HB2 1 99 ALA H 5.110 . 5.110 4.077 3.893 4.359 . 0 0 "[ . 1 . 2]" 1
2241 1 98 ASP HB3 1 99 ALA H 5.110 . 5.110 3.436 3.168 4.357 . 0 0 "[ . 1 . 2]" 1
2242 1 99 ALA H 1 99 ALA MB 2.970 . 2.970 2.244 2.205 2.319 . 0 0 "[ . 1 . 2]" 1
2243 1 99 ALA H 1 100 ILE H 3.560 . 3.560 2.518 2.335 2.671 . 0 0 "[ . 1 . 2]" 1
2244 1 99 ALA H 1 100 ILE HB 6.230 . 6.230 4.997 4.625 5.189 . 0 0 "[ . 1 . 2]" 1
2245 1 99 ALA H 1 100 ILE MD 5.350 . 5.350 5.266 4.924 5.413 0.063 15 0 "[ . 1 . 2]" 1
2246 1 99 ALA H 1 100 ILE QG 5.100 . 5.100 4.073 3.571 4.382 . 0 0 "[ . 1 . 2]" 1
2247 1 99 ALA MB 1 100 ILE H 3.920 . 3.920 2.696 2.275 3.325 . 0 0 "[ . 1 . 2]" 1
2248 1 99 ALA MB 1 100 ILE HG12 5.170 . 5.170 3.934 3.590 4.160 . 0 0 "[ . 1 . 2]" 1
2249 1 99 ALA MB 1 100 ILE QG 4.300 . 4.300 2.893 2.702 3.285 . 0 0 "[ . 1 . 2]" 1
2250 1 99 ALA MB 1 100 ILE HG13 5.170 . 5.170 2.981 2.755 3.441 . 0 0 "[ . 1 . 2]" 1
2251 1 100 ILE H 1 100 ILE HB 3.760 . 3.760 2.703 2.517 2.845 . 0 0 "[ . 1 . 2]" 1
2252 1 100 ILE H 1 100 ILE MD 4.810 . 4.810 3.740 3.508 4.097 . 0 0 "[ . 1 . 2]" 1
2253 1 100 ILE H 1 100 ILE HG12 4.530 . 4.530 3.571 3.384 3.905 . 0 0 "[ . 1 . 2]" 1
2254 1 100 ILE H 1 100 ILE QG 3.740 . 3.740 2.301 2.086 2.740 . 0 0 "[ . 1 . 2]" 1
2255 1 100 ILE H 1 100 ILE HG13 4.530 . 4.530 2.331 2.106 2.798 . 0 0 "[ . 1 . 2]" 1
2256 1 100 ILE H 1 100 ILE MG 4.590 . 4.590 3.856 3.801 3.939 . 0 0 "[ . 1 . 2]" 1
2257 1 100 ILE H 1 101 SER H 5.230 . 5.230 3.699 2.014 4.277 . 0 0 "[ . 1 . 2]" 1
2258 1 100 ILE HA 1 100 ILE QG 3.930 . 3.930 2.530 2.387 2.666 . 0 0 "[ . 1 . 2]" 1
2259 1 100 ILE HA 1 100 ILE MG 3.580 . 3.580 2.324 2.250 2.434 . 0 0 "[ . 1 . 2]" 1
2260 1 100 ILE HA 1 101 SER H 3.610 . 3.610 2.400 2.095 3.549 . 0 0 "[ . 1 . 2]" 1
2261 1 100 ILE HB 1 101 SER H 5.530 . 5.530 4.113 2.121 4.424 . 0 0 "[ . 1 . 2]" 1
2262 1 100 ILE HB 1 102 GLY H 5.680 . 5.680 5.185 4.473 5.744 0.064 19 0 "[ . 1 . 2]" 1
2263 1 100 ILE HB 1 103 ALA H 4.530 . 4.530 3.762 3.117 4.306 . 0 0 "[ . 1 . 2]" 1
2264 1 100 ILE HB 1 103 ALA HA 5.850 . 5.850 5.266 4.260 5.982 0.132 2 0 "[ . 1 . 2]" 1
2265 1 100 ILE HB 1 103 ALA MB 3.380 . 3.380 2.562 1.947 3.180 . 0 0 "[ . 1 . 2]" 1
2266 1 100 ILE MD 1 103 ALA MB 4.170 . 4.170 3.180 2.486 3.806 . 0 0 "[ . 1 . 2]" 1
2267 1 100 ILE MD 1 107 VAL HB 5.630 . 5.630 3.777 3.363 4.154 . 0 0 "[ . 1 . 2]" 1
2268 1 100 ILE MD 1 107 VAL MG1 4.530 . 4.530 2.053 1.757 2.471 . 0 0 "[ . 1 . 2]" 1
2269 1 100 ILE MD 1 111 PHE QE 4.260 . 4.260 2.451 2.048 3.137 . 0 0 "[ . 1 . 2]" 1
2270 1 100 ILE QG 1 101 SER H 5.500 . 5.500 4.333 3.762 4.538 . 0 0 "[ . 1 . 2]" 1
2271 1 100 ILE MG 1 101 SER H 4.200 . 4.200 3.429 2.959 4.263 0.063 3 0 "[ . 1 . 2]" 1
2272 1 100 ILE MG 1 101 SER HB2 6.300 . 6.300 4.889 4.200 5.602 . 0 0 "[ . 1 . 2]" 1
2273 1 100 ILE MG 1 101 SER QB 5.480 . 5.480 4.489 4.041 4.903 . 0 0 "[ . 1 . 2]" 1
2274 1 100 ILE MG 1 101 SER HB3 6.300 . 6.300 5.400 4.640 5.812 . 0 0 "[ . 1 . 2]" 1
2275 1 100 ILE MG 1 102 GLY H 5.780 . 5.780 4.159 3.114 4.521 . 0 0 "[ . 1 . 2]" 1
2276 1 100 ILE MG 1 102 GLY QA 5.180 . 5.180 4.109 3.745 5.108 . 0 0 "[ . 1 . 2]" 1
2277 1 100 ILE MG 1 103 ALA H 3.990 . 3.990 3.067 2.673 3.777 . 0 0 "[ . 1 . 2]" 1
2278 1 100 ILE MG 1 103 ALA HA 5.170 . 5.170 4.228 3.545 4.870 . 0 0 "[ . 1 . 2]" 1
2279 1 100 ILE MG 1 103 ALA MB 3.240 . 3.240 2.386 2.065 2.834 . 0 0 "[ . 1 . 2]" 1
2280 1 101 SER H 1 101 SER QB 3.560 . 3.560 2.614 2.197 3.434 . 0 0 "[ . 1 . 2]" 1
2281 1 101 SER HA 1 102 GLY H 3.270 . 3.270 2.410 2.091 3.551 0.281 8 0 "[ . 1 . 2]" 1
2282 1 101 SER HA 1 103 ALA H 4.760 . 4.760 3.685 3.387 4.356 . 0 0 "[ . 1 . 2]" 1
2283 1 101 SER HB2 1 102 GLY H 5.450 . 5.450 3.931 1.908 4.519 . 0 0 "[ . 1 . 2]" 1
2284 1 101 SER HB3 1 102 GLY H 5.450 . 5.450 3.658 2.547 4.374 . 0 0 "[ . 1 . 2]" 1
2285 1 102 GLY H 1 103 ALA H 3.610 . 3.610 2.362 1.802 2.985 . 0 0 "[ . 1 . 2]" 1
2286 1 102 GLY H 1 103 ALA MB 4.630 . 4.630 4.131 3.666 4.481 . 0 0 "[ . 1 . 2]" 1
2287 1 102 GLY H 1 104 THR H 6.300 . 6.300 5.590 4.962 6.338 0.038 8 0 "[ . 1 . 2]" 1
2288 1 102 GLY HA2 1 103 ALA MB 5.580 . 5.580 4.896 4.619 4.991 . 0 0 "[ . 1 . 2]" 1
2289 1 102 GLY HA3 1 103 ALA MB 5.580 . 5.580 4.528 4.197 4.976 . 0 0 "[ . 1 . 2]" 1
2290 1 103 ALA H 1 103 ALA MB 3.080 . 3.080 2.285 2.235 2.399 . 0 0 "[ . 1 . 2]" 1
2291 1 103 ALA H 1 104 THR H 4.950 . 4.950 4.186 4.021 4.484 . 0 0 "[ . 1 . 2]" 1
2292 1 103 ALA H 1 107 VAL MG2 6.300 . 6.300 4.848 4.519 5.866 . 0 0 "[ . 1 . 2]" 1
2293 1 103 ALA HA 1 104 THR H 3.690 . 3.690 2.163 2.113 2.250 . 0 0 "[ . 1 . 2]" 1
2294 1 103 ALA HA 1 105 ILE H 4.460 . 4.460 3.449 3.046 4.607 0.147 14 0 "[ . 1 . 2]" 1
2295 1 103 ALA HA 1 107 VAL MG2 5.220 . 5.220 4.259 3.858 4.870 . 0 0 "[ . 1 . 2]" 1
2296 1 103 ALA MB 1 104 THR H 4.660 . 4.660 3.448 3.036 3.596 . 0 0 "[ . 1 . 2]" 1
2297 1 103 ALA MB 1 105 ILE H 4.000 . 4.000 3.537 3.080 4.073 0.073 20 0 "[ . 1 . 2]" 1
2298 1 104 THR H 1 104 THR MG 4.300 . 4.300 3.163 1.927 3.881 . 0 0 "[ . 1 . 2]" 1
2299 1 104 THR H 1 105 ILE H 3.930 . 3.930 2.365 2.020 3.833 . 0 0 "[ . 1 . 2]" 1
2300 1 104 THR H 1 105 ILE MG 5.250 . 5.250 3.595 3.159 3.947 . 0 0 "[ . 1 . 2]" 1
2301 1 104 THR HA 1 104 THR MG 3.360 . 3.360 2.379 2.185 3.235 . 0 0 "[ . 1 . 2]" 1
2302 1 104 THR HB 1 105 ILE H 5.540 . 5.540 3.647 2.708 4.401 . 0 0 "[ . 1 . 2]" 1
2303 1 104 THR MG 1 105 ILE H 4.460 . 4.460 3.985 2.864 4.394 . 0 0 "[ . 1 . 2]" 1
2304 1 105 ILE H 1 105 ILE MD 5.480 . 5.480 4.395 4.265 4.568 . 0 0 "[ . 1 . 2]" 1
2305 1 105 ILE H 1 105 ILE QG 4.490 . 4.490 4.085 3.957 4.465 . 0 0 "[ . 1 . 2]" 1
2306 1 105 ILE H 1 105 ILE MG 3.790 . 3.790 2.133 1.937 3.157 . 0 0 "[ . 1 . 2]" 1
2307 1 105 ILE HA 1 105 ILE MG 3.490 . 3.490 3.242 3.229 3.252 . 0 0 "[ . 1 . 2]" 1
2308 1 105 ILE HA 1 106 LYS H 3.300 . 3.300 2.343 2.243 2.441 . 0 0 "[ . 1 . 2]" 1
2309 1 105 ILE HB 1 106 LYS H 4.350 . 4.350 4.165 4.034 4.329 . 0 0 "[ . 1 . 2]" 1
2310 1 105 ILE MD 1 105 ILE MG 3.400 . 3.400 2.007 1.890 2.139 . 0 0 "[ . 1 . 2]" 1
2311 1 105 ILE MD 1 106 LYS H 4.000 . 4.000 2.425 1.826 3.236 . 0 0 "[ . 1 . 2]" 1
2312 1 105 ILE MD 1 106 LYS HA 4.260 . 4.260 3.935 3.745 4.394 0.134 11 0 "[ . 1 . 2]" 1
2313 1 105 ILE MD 1 106 LYS HB2 4.580 . 4.580 3.858 2.418 4.465 . 0 0 "[ . 1 . 2]" 1
2314 1 105 ILE MD 1 106 LYS QB 3.990 . 3.990 3.535 2.387 3.977 . 0 0 "[ . 1 . 2]" 1
2315 1 105 ILE MD 1 106 LYS HB3 4.580 . 4.580 4.254 3.681 4.578 . 0 0 "[ . 1 . 2]" 1
2316 1 105 ILE MD 1 107 VAL H 4.960 . 4.960 4.487 4.187 4.737 . 0 0 "[ . 1 . 2]" 1
2317 1 105 ILE MD 1 108 LYS H 6.300 . 6.300 4.978 4.727 5.244 . 0 0 "[ . 1 . 2]" 1
2318 1 105 ILE QG 1 106 LYS QD 4.300 . 4.300 3.051 2.049 4.367 0.067 14 0 "[ . 1 . 2]" 1
2319 1 105 ILE MG 1 106 LYS H 4.050 . 4.050 3.606 3.417 3.811 . 0 0 "[ . 1 . 2]" 1
2320 1 105 ILE MG 1 106 LYS HA 5.050 . 5.050 4.356 3.827 4.717 . 0 0 "[ . 1 . 2]" 1
2321 1 105 ILE MG 1 106 LYS QD 5.060 . 5.060 4.537 4.166 5.264 0.204 11 0 "[ . 1 . 2]" 1
2322 1 106 LYS H 1 106 LYS QG 3.760 . 3.760 2.504 1.580 3.263 . 0 0 "[ . 1 . 2]" 1
2323 1 106 LYS HA 1 107 VAL H 3.190 . 3.190 2.028 1.971 2.216 . 0 0 "[ . 1 . 2]" 1
2324 1 106 LYS HA 1 107 VAL HA 5.350 . 5.350 4.334 4.224 4.493 . 0 0 "[ . 1 . 2]" 1
2325 1 106 LYS HA 1 107 VAL MG2 4.370 . 4.370 3.539 3.013 5.058 0.688 5 1 "[ + 1 . 2]" 1
2326 1 106 LYS HA 1 108 LYS H 4.350 . 4.350 3.482 3.019 3.754 . 0 0 "[ . 1 . 2]" 1
2327 1 106 LYS HA 1 108 LYS HA 6.300 . 6.300 6.172 5.744 6.363 0.063 10 0 "[ . 1 . 2]" 1
2328 1 106 LYS QB 1 106 LYS QE 4.070 . 4.070 3.473 1.949 3.818 . 0 0 "[ . 1 . 2]" 1
2329 1 106 LYS QB 1 107 VAL H 4.230 . 4.230 3.253 2.931 3.669 . 0 0 "[ . 1 . 2]" 1
2330 1 106 LYS QB 1 108 LYS H 4.490 . 4.490 2.838 2.647 3.332 . 0 0 "[ . 1 . 2]" 1
2331 1 106 LYS QG 1 107 VAL H 5.190 . 5.190 4.384 3.710 4.788 . 0 0 "[ . 1 . 2]" 1
2332 1 107 VAL H 1 107 VAL MG1 4.170 . 4.170 3.643 2.515 3.748 . 0 0 "[ . 1 . 2]" 1
2333 1 107 VAL H 1 107 VAL MG2 3.360 . 3.360 2.371 2.072 3.635 0.275 5 0 "[ . 1 . 2]" 1
2334 1 107 VAL H 1 108 LYS H 3.370 . 3.370 2.459 2.321 2.568 . 0 0 "[ . 1 . 2]" 1
2335 1 107 VAL H 1 108 LYS QB 5.880 . 5.880 4.198 3.971 4.656 . 0 0 "[ . 1 . 2]" 1
2336 1 107 VAL HA 1 107 VAL MG1 3.710 . 3.710 2.581 2.437 3.211 . 0 0 "[ . 1 . 2]" 1
2337 1 107 VAL HA 1 109 LYS H 4.920 . 4.920 3.924 3.608 4.256 . 0 0 "[ . 1 . 2]" 1
2338 1 107 VAL HA 1 110 PHE H 4.110 . 4.110 3.360 2.973 3.634 . 0 0 "[ . 1 . 2]" 1
2339 1 107 VAL HA 1 110 PHE HB2 5.930 . 5.930 3.705 2.931 3.997 . 0 0 "[ . 1 . 2]" 1
2340 1 107 VAL HA 1 110 PHE HB3 5.330 . 5.330 3.348 3.093 3.587 . 0 0 "[ . 1 . 2]" 1
2341 1 107 VAL HA 1 111 PHE H 5.390 . 5.390 4.736 4.461 4.927 . 0 0 "[ . 1 . 2]" 1
2342 1 107 VAL HB 1 110 PHE HB2 6.300 . 6.300 6.123 5.441 6.419 0.119 18 0 "[ . 1 . 2]" 1
2343 1 107 VAL HB 1 111 PHE QD 4.410 . 4.410 4.279 3.972 4.734 0.324 5 0 "[ . 1 . 2]" 1
2344 1 107 VAL HB 1 111 PHE QE 4.960 . 4.960 4.619 4.120 4.944 . 0 0 "[ . 1 . 2]" 1
2345 1 107 VAL MG1 1 108 LYS H 4.620 . 4.620 3.928 3.345 4.112 . 0 0 "[ . 1 . 2]" 1
2346 1 107 VAL MG1 1 108 LYS HA 4.150 . 4.150 3.934 3.549 4.146 . 0 0 "[ . 1 . 2]" 1
2347 1 107 VAL MG1 1 108 LYS QB 5.500 . 5.500 4.927 4.258 5.181 . 0 0 "[ . 1 . 2]" 1
2348 1 107 VAL MG1 1 108 LYS QG 5.640 . 5.640 5.476 4.976 5.716 0.076 4 0 "[ . 1 . 2]" 1
2349 1 107 VAL MG1 1 110 PHE QE 5.400 . 5.400 4.549 4.208 5.437 0.037 5 0 "[ . 1 . 2]" 1
2350 1 107 VAL MG1 1 111 PHE QD 4.200 . 4.200 1.894 1.738 2.013 . 0 0 "[ . 1 . 2]" 1
2351 1 107 VAL MG1 1 111 PHE QE 4.830 . 4.830 2.212 2.021 2.372 . 0 0 "[ . 1 . 2]" 1
2352 1 107 VAL MG2 1 110 PHE H 5.250 . 5.250 4.979 3.456 5.285 0.035 18 0 "[ . 1 . 2]" 1
2353 1 107 VAL MG2 1 110 PHE HB3 4.990 . 4.990 4.188 1.978 4.464 . 0 0 "[ . 1 . 2]" 1
2354 1 107 VAL MG2 1 110 PHE QD 4.680 . 4.680 4.793 3.056 4.949 0.269 8 0 "[ . 1 . 2]" 1
2355 1 108 LYS H 1 108 LYS HB2 3.680 . 3.680 2.624 2.070 3.621 . 0 0 "[ . 1 . 2]" 1
2356 1 108 LYS H 1 108 LYS QB 3.210 . 3.210 2.275 2.046 2.640 . 0 0 "[ . 1 . 2]" 1
2357 1 108 LYS H 1 108 LYS HB3 3.680 . 3.680 2.721 2.504 3.201 . 0 0 "[ . 1 . 2]" 1
2358 1 108 LYS H 1 109 LYS H 3.750 . 3.750 2.798 2.663 2.989 . 0 0 "[ . 1 . 2]" 1
2359 1 108 LYS HA 1 110 PHE H 4.950 . 4.950 4.335 4.152 4.443 . 0 0 "[ . 1 . 2]" 1
2360 1 108 LYS HA 1 111 PHE H 4.150 . 4.150 3.834 3.662 4.079 . 0 0 "[ . 1 . 2]" 1
2361 1 108 LYS HA 1 111 PHE HA 6.300 . 6.300 6.119 5.831 6.332 0.032 18 0 "[ . 1 . 2]" 1
2362 1 108 LYS HA 1 111 PHE HB2 4.970 . 4.970 3.511 3.075 3.744 . 0 0 "[ . 1 . 2]" 1
2363 1 108 LYS HA 1 111 PHE HB3 5.170 . 5.170 5.087 4.677 5.299 0.129 1 0 "[ . 1 . 2]" 1
2364 1 108 LYS HA 1 111 PHE QD 4.400 . 4.400 4.158 3.571 4.521 0.121 18 0 "[ . 1 . 2]" 1
2365 1 108 LYS QB 1 109 LYS H 3.570 . 3.570 2.874 2.369 3.671 0.101 2 0 "[ . 1 . 2]" 1
2366 1 108 LYS QB 1 109 LYS HA 5.230 . 5.230 4.129 3.910 4.576 . 0 0 "[ . 1 . 2]" 1
2367 1 108 LYS HB2 1 109 LYS H 4.190 . 4.190 3.813 3.475 4.098 . 0 0 "[ . 1 . 2]" 1
2368 1 108 LYS HB3 1 109 LYS H 4.190 . 4.190 3.069 2.394 4.216 0.026 9 0 "[ . 1 . 2]" 1
2369 1 109 LYS H 1 109 LYS HB2 3.210 . 3.210 2.455 2.323 2.685 . 0 0 "[ . 1 . 2]" 1
2370 1 109 LYS H 1 109 LYS HB3 3.500 . 3.500 2.540 2.382 2.665 . 0 0 "[ . 1 . 2]" 1
2371 1 109 LYS H 1 109 LYS HG2 4.880 . 4.880 4.534 4.395 4.649 . 0 0 "[ . 1 . 2]" 1
2372 1 109 LYS H 1 109 LYS HG3 4.900 . 4.900 4.462 4.390 4.534 . 0 0 "[ . 1 . 2]" 1
2373 1 109 LYS H 1 110 PHE H 3.380 . 3.380 2.634 2.484 2.734 . 0 0 "[ . 1 . 2]" 1
2374 1 109 LYS H 1 110 PHE HB3 5.650 . 5.650 4.797 4.641 4.992 . 0 0 "[ . 1 . 2]" 1
2375 1 109 LYS H 1 111 PHE H 4.950 . 4.950 4.512 4.276 4.666 . 0 0 "[ . 1 . 2]" 1
2376 1 109 LYS HA 1 109 LYS HD2 5.130 . 5.130 3.849 2.335 4.888 . 0 0 "[ . 1 . 2]" 1
2377 1 109 LYS HA 1 109 LYS QD 4.390 . 4.390 2.987 2.024 4.264 . 0 0 "[ . 1 . 2]" 1
2378 1 109 LYS HA 1 109 LYS HD3 5.130 . 5.130 3.291 2.046 4.881 . 0 0 "[ . 1 . 2]" 1
2379 1 109 LYS HA 1 109 LYS HG2 4.320 . 4.320 3.618 3.160 3.801 . 0 0 "[ . 1 . 2]" 1
2380 1 109 LYS HA 1 109 LYS HG3 4.150 . 4.150 2.687 2.467 2.919 . 0 0 "[ . 1 . 2]" 1
2381 1 109 LYS HA 1 111 PHE H 5.320 . 5.320 4.763 4.550 4.982 . 0 0 "[ . 1 . 2]" 1
2382 1 109 LYS HA 1 112 ASP H 4.140 . 4.140 3.602 3.236 4.037 . 0 0 "[ . 1 . 2]" 1
2383 1 109 LYS HA 1 112 ASP HB2 3.860 . 3.860 2.624 2.094 3.177 . 0 0 "[ . 1 . 2]" 1
2384 1 109 LYS HA 1 112 ASP HB3 4.230 . 4.230 3.233 2.682 4.231 0.001 16 0 "[ . 1 . 2]" 1
2385 1 109 LYS HA 1 113 LEU H 4.550 . 4.550 3.973 3.674 4.188 . 0 0 "[ . 1 . 2]" 1
2386 1 109 LYS HA 1 113 LEU HA 6.300 . 6.300 6.136 5.964 6.334 0.034 19 0 "[ . 1 . 2]" 1
2387 1 109 LYS HB2 1 109 LYS QE 4.470 . 4.470 2.624 1.899 4.092 . 0 0 "[ . 1 . 2]" 1
2388 1 109 LYS HB2 1 110 PHE H 4.300 . 4.300 3.950 3.755 4.147 . 0 0 "[ . 1 . 2]" 1
2389 1 109 LYS HB3 1 109 LYS QE 4.730 . 4.730 3.304 2.009 4.541 . 0 0 "[ . 1 . 2]" 1
2390 1 109 LYS HB3 1 110 PHE H 3.760 . 3.760 2.788 2.552 3.028 . 0 0 "[ . 1 . 2]" 1
2391 1 109 LYS HB3 1 110 PHE HB3 5.940 . 5.940 5.053 4.701 5.367 . 0 0 "[ . 1 . 2]" 1
2392 1 109 LYS HB3 1 112 ASP HB2 5.860 . 5.860 5.454 4.989 5.887 0.027 13 0 "[ . 1 . 2]" 1
2393 1 109 LYS QD 1 112 ASP HB3 6.100 . 6.100 4.763 3.322 6.217 0.117 6 0 "[ . 1 . 2]" 1
2394 1 109 LYS QD 1 113 LEU QD 4.780 . 4.780 2.757 1.939 3.513 . 0 0 "[ . 1 . 2]" 1
2395 1 109 LYS QD 1 113 LEU HG 4.910 . 4.910 4.452 3.692 4.996 0.086 19 0 "[ . 1 . 2]" 1
2396 1 109 LYS HD2 1 113 LEU QD 5.460 . 5.460 3.061 1.966 4.198 . 0 0 "[ . 1 . 2]" 1
2397 1 109 LYS HD3 1 113 LEU QD 5.460 . 5.460 3.428 2.446 4.233 . 0 0 "[ . 1 . 2]" 1
2398 1 109 LYS HG2 1 110 PHE H 5.210 . 5.210 4.489 3.779 5.019 . 0 0 "[ . 1 . 2]" 1
2399 1 109 LYS HG2 1 113 LEU HG 5.100 . 5.100 4.791 3.812 5.314 0.214 5 0 "[ . 1 . 2]" 1
2400 1 109 LYS HG3 1 110 PHE H 5.450 . 5.450 4.384 4.023 4.875 . 0 0 "[ . 1 . 2]" 1
2401 1 109 LYS HG3 1 113 LEU HB3 5.520 . 5.520 5.389 5.047 5.726 0.206 20 0 "[ . 1 . 2]" 1
2402 1 109 LYS HG3 1 113 LEU HG 4.510 . 4.510 3.979 3.546 4.361 . 0 0 "[ . 1 . 2]" 1
2403 1 110 PHE H 1 110 PHE HB2 3.360 . 3.360 2.651 2.471 2.729 . 0 0 "[ . 1 . 2]" 1
2404 1 110 PHE H 1 110 PHE HB3 3.210 . 3.210 2.443 2.374 2.575 . 0 0 "[ . 1 . 2]" 1
2405 1 110 PHE H 1 110 PHE QD 4.480 . 4.480 4.180 4.126 4.202 . 0 0 "[ . 1 . 2]" 1
2406 1 110 PHE H 1 111 PHE H 3.200 . 3.200 2.770 2.695 2.897 . 0 0 "[ . 1 . 2]" 1
2407 1 110 PHE H 1 111 PHE HA 6.130 . 6.130 5.337 5.277 5.439 . 0 0 "[ . 1 . 2]" 1
2408 1 110 PHE H 1 112 ASP H 4.400 . 4.400 3.929 3.809 4.024 . 0 0 "[ . 1 . 2]" 1
2409 1 110 PHE H 1 112 ASP HB2 4.950 . 4.950 4.841 4.536 5.024 0.074 15 0 "[ . 1 . 2]" 1
2410 1 110 PHE H 1 113 LEU H 5.280 . 5.280 4.828 4.721 4.933 . 0 0 "[ . 1 . 2]" 1
2411 1 110 PHE HA 1 110 PHE QD 3.810 . 3.810 2.767 2.582 3.012 . 0 0 "[ . 1 . 2]" 1
2412 1 110 PHE HA 1 113 LEU H 4.510 . 4.510 3.890 3.755 4.028 . 0 0 "[ . 1 . 2]" 1
2413 1 110 PHE HA 1 113 LEU HB2 4.410 . 4.410 3.416 3.104 3.670 . 0 0 "[ . 1 . 2]" 1
2414 1 110 PHE HA 1 113 LEU HB3 5.120 . 5.120 4.752 4.352 5.083 . 0 0 "[ . 1 . 2]" 1
2415 1 110 PHE HA 1 113 LEU QD 6.060 . 6.060 4.212 2.871 4.388 . 0 0 "[ . 1 . 2]" 1
2416 1 110 PHE HA 1 113 LEU HG 5.540 . 5.540 5.334 4.802 5.599 0.059 18 0 "[ . 1 . 2]" 1
2417 1 110 PHE HA 1 114 ALA H 4.950 . 4.950 4.266 4.169 4.378 . 0 0 "[ . 1 . 2]" 1
2418 1 110 PHE HB2 1 111 PHE H 4.070 . 4.070 3.825 3.638 3.912 . 0 0 "[ . 1 . 2]" 1
2419 1 110 PHE HB3 1 111 PHE H 3.580 . 3.580 2.419 2.231 2.556 . 0 0 "[ . 1 . 2]" 1
2420 1 110 PHE HB3 1 111 PHE QE 6.030 . 6.030 4.307 3.792 4.554 . 0 0 "[ . 1 . 2]" 1
2421 1 110 PHE QD 1 111 PHE H 3.780 . 3.780 3.084 2.978 3.328 . 0 0 "[ . 1 . 2]" 1
2422 1 110 PHE QD 1 111 PHE HA 4.360 . 4.360 3.440 3.072 3.873 . 0 0 "[ . 1 . 2]" 1
2423 1 110 PHE QD 1 111 PHE HB2 4.590 . 4.590 4.139 4.001 4.377 . 0 0 "[ . 1 . 2]" 1
2424 1 110 PHE QD 1 111 PHE QD 4.270 . 4.270 2.631 2.480 2.855 . 0 0 "[ . 1 . 2]" 1
2425 1 110 PHE QD 1 111 PHE QE 4.490 . 4.490 3.003 2.742 3.259 . 0 0 "[ . 1 . 2]" 1
2426 1 110 PHE QD 1 114 ALA H 5.700 . 5.700 5.205 5.022 5.298 . 0 0 "[ . 1 . 2]" 1
2427 1 110 PHE QD 1 114 ALA MB 5.220 . 5.220 4.062 3.851 4.213 . 0 0 "[ . 1 . 2]" 1
2428 1 110 PHE QE 1 111 PHE QE 4.260 . 4.260 3.543 3.393 3.778 . 0 0 "[ . 1 . 2]" 1
2429 1 110 PHE QE 1 114 ALA MB 4.670 . 4.670 3.908 3.795 4.018 . 0 0 "[ . 1 . 2]" 1
2430 1 110 PHE HZ 1 114 ALA MB 4.980 . 4.980 4.370 4.234 4.598 . 0 0 "[ . 1 . 2]" 1
2431 1 111 PHE H 1 111 PHE HB2 3.500 . 3.500 2.297 2.265 2.324 . 0 0 "[ . 1 . 2]" 1
2432 1 111 PHE H 1 111 PHE HB3 3.760 . 3.760 3.567 3.538 3.584 . 0 0 "[ . 1 . 2]" 1
2433 1 111 PHE H 1 111 PHE QD 3.330 . 3.330 2.592 2.410 2.693 . 0 0 "[ . 1 . 2]" 1
2434 1 111 PHE H 1 112 ASP H 3.370 . 3.370 2.570 2.515 2.625 . 0 0 "[ . 1 . 2]" 1
2435 1 111 PHE H 1 112 ASP HA 5.710 . 5.710 5.210 5.169 5.244 . 0 0 "[ . 1 . 2]" 1
2436 1 111 PHE H 1 112 ASP HB2 4.950 . 4.950 4.496 4.322 4.687 . 0 0 "[ . 1 . 2]" 1
2437 1 111 PHE H 1 112 ASP HB3 6.300 . 6.300 5.494 5.035 6.142 . 0 0 "[ . 1 . 2]" 1
2438 1 111 PHE H 1 113 LEU H 5.010 . 5.010 4.319 4.171 4.476 . 0 0 "[ . 1 . 2]" 1
2439 1 111 PHE H 1 113 LEU HB2 5.900 . 5.900 5.501 5.191 5.785 . 0 0 "[ . 1 . 2]" 1
2440 1 111 PHE H 1 114 ALA H 5.330 . 5.330 4.681 4.571 4.753 . 0 0 "[ . 1 . 2]" 1
2441 1 111 PHE H 1 114 ALA MB 4.740 . 4.740 4.473 4.324 4.578 . 0 0 "[ . 1 . 2]" 1
2442 1 111 PHE HA 1 111 PHE QD 3.890 . 3.890 2.878 2.738 2.973 . 0 0 "[ . 1 . 2]" 1
2443 1 111 PHE HA 1 111 PHE QE 6.300 . 6.300 4.506 4.443 4.573 . 0 0 "[ . 1 . 2]" 1
2444 1 111 PHE HA 1 112 ASP HA 6.300 . 6.300 4.868 4.768 4.939 . 0 0 "[ . 1 . 2]" 1
2445 1 111 PHE HA 1 113 LEU H 5.050 . 5.050 4.386 4.204 4.555 . 0 0 "[ . 1 . 2]" 1
2446 1 111 PHE HA 1 114 ALA H 4.440 . 4.440 3.252 3.121 3.362 . 0 0 "[ . 1 . 2]" 1
2447 1 111 PHE HA 1 114 ALA MB 3.390 . 3.390 2.278 2.122 2.389 . 0 0 "[ . 1 . 2]" 1
2448 1 111 PHE HA 1 115 GLN H 5.380 . 5.380 4.079 3.911 4.249 . 0 0 "[ . 1 . 2]" 1
2449 1 111 PHE HA 1 115 GLN HG3 6.070 . 6.070 4.346 4.179 4.569 . 0 0 "[ . 1 . 2]" 1
2450 1 111 PHE HB2 1 112 ASP H 4.180 . 4.180 3.095 3.036 3.162 . 0 0 "[ . 1 . 2]" 1
2451 1 111 PHE HB2 1 115 GLN HE21 5.000 . 5.000 4.229 4.021 4.674 . 0 0 "[ . 1 . 2]" 1
2452 1 111 PHE HB2 1 115 GLN HE22 6.300 . 6.300 4.970 4.580 5.443 . 0 0 "[ . 1 . 2]" 1
2453 1 111 PHE HB3 1 112 ASP H 4.570 . 4.570 3.735 3.687 3.787 . 0 0 "[ . 1 . 2]" 1
2454 1 111 PHE HB3 1 115 GLN HE21 4.280 . 4.280 3.035 2.543 3.521 . 0 0 "[ . 1 . 2]" 1
2455 1 111 PHE HB3 1 115 GLN HE22 4.860 . 4.860 4.000 3.543 4.376 . 0 0 "[ . 1 . 2]" 1
2456 1 111 PHE QD 1 112 ASP H 4.830 . 4.830 4.581 4.521 4.627 . 0 0 "[ . 1 . 2]" 1
2457 1 111 PHE QD 1 114 ALA MB 4.960 . 4.960 3.646 3.443 3.877 . 0 0 "[ . 1 . 2]" 1
2458 1 111 PHE QE 1 114 ALA MB 6.300 . 6.300 4.793 4.652 4.999 . 0 0 "[ . 1 . 2]" 1
2459 1 112 ASP H 1 112 ASP HB2 3.500 . 3.500 2.194 2.074 2.373 . 0 0 "[ . 1 . 2]" 1
2460 1 112 ASP H 1 112 ASP HB3 3.750 . 3.750 3.116 2.783 3.605 . 0 0 "[ . 1 . 2]" 1
2461 1 112 ASP H 1 113 LEU H 3.590 . 3.590 2.670 2.550 2.756 . 0 0 "[ . 1 . 2]" 1
2462 1 112 ASP H 1 113 LEU HB2 5.150 . 5.150 4.578 4.335 4.725 . 0 0 "[ . 1 . 2]" 1
2463 1 112 ASP H 1 115 GLN H 5.620 . 5.620 4.797 4.647 4.996 . 0 0 "[ . 1 . 2]" 1
2464 1 112 ASP H 1 115 GLN HB2 6.300 . 6.300 5.497 5.153 5.882 . 0 0 "[ . 1 . 2]" 1
2465 1 112 ASP HA 1 114 ALA H 5.200 . 5.200 4.485 4.332 4.612 . 0 0 "[ . 1 . 2]" 1
2466 1 112 ASP HA 1 115 GLN H 4.470 . 4.470 3.778 3.468 4.058 . 0 0 "[ . 1 . 2]" 1
2467 1 112 ASP HA 1 115 GLN HB2 4.080 . 4.080 3.238 2.717 3.754 . 0 0 "[ . 1 . 2]" 1
2468 1 112 ASP HA 1 115 GLN HE21 4.770 . 4.770 2.645 2.117 3.768 . 0 0 "[ . 1 . 2]" 1
2469 1 112 ASP HA 1 115 GLN HE22 4.900 . 4.900 3.176 2.751 3.719 . 0 0 "[ . 1 . 2]" 1
2470 1 112 ASP HA 1 115 GLN HG2 6.300 . 6.300 5.245 4.857 5.624 . 0 0 "[ . 1 . 2]" 1
2471 1 112 ASP HA 1 115 GLN HG3 5.180 . 5.180 4.002 3.716 4.291 . 0 0 "[ . 1 . 2]" 1
2472 1 112 ASP HA 1 116 LYS H 5.250 . 5.250 4.729 4.279 5.109 . 0 0 "[ . 1 . 2]" 1
2473 1 112 ASP HB2 1 113 LEU H 3.760 . 3.760 3.107 2.505 3.416 . 0 0 "[ . 1 . 2]" 1
2474 1 112 ASP HB2 1 113 LEU HB2 6.120 . 6.120 4.911 4.189 5.171 . 0 0 "[ . 1 . 2]" 1
2475 1 112 ASP HB2 1 113 LEU HB3 6.300 . 6.300 6.338 5.633 6.600 0.300 17 0 "[ . 1 . 2]" 1
2476 1 112 ASP HB2 1 113 LEU QD 5.900 . 5.900 3.401 2.732 3.774 . 0 0 "[ . 1 . 2]" 1
2477 1 112 ASP HB3 1 113 LEU H 3.980 . 3.980 2.588 2.114 3.420 . 0 0 "[ . 1 . 2]" 1
2478 1 112 ASP HB3 1 113 LEU HB2 5.470 . 5.470 4.175 3.662 5.437 . 0 0 "[ . 1 . 2]" 1
2479 1 112 ASP HB3 1 113 LEU QD 4.830 . 4.830 2.371 1.994 3.029 . 0 0 "[ . 1 . 2]" 1
2480 1 113 LEU H 1 113 LEU HB2 3.090 . 3.090 2.155 2.074 2.312 . 0 0 "[ . 1 . 2]" 1
2481 1 113 LEU H 1 113 LEU HB3 3.790 . 3.790 3.441 3.362 3.565 . 0 0 "[ . 1 . 2]" 1
2482 1 113 LEU H 1 113 LEU QD 4.030 . 4.030 2.541 2.340 2.633 . 0 0 "[ . 1 . 2]" 1
2483 1 113 LEU H 1 113 LEU HG 4.400 . 4.400 4.203 4.111 4.276 . 0 0 "[ . 1 . 2]" 1
2484 1 113 LEU H 1 114 ALA H 3.360 . 3.360 2.491 2.449 2.556 . 0 0 "[ . 1 . 2]" 1
2485 1 113 LEU H 1 114 ALA MB 5.030 . 5.030 4.173 4.120 4.237 . 0 0 "[ . 1 . 2]" 1
2486 1 113 LEU H 1 115 GLN H 4.780 . 4.780 4.071 3.911 4.196 . 0 0 "[ . 1 . 2]" 1
2487 1 113 LEU HA 1 113 LEU QD 3.160 . 3.160 1.795 1.711 2.061 . 0 0 "[ . 1 . 2]" 1
2488 1 113 LEU HA 1 113 LEU HG 4.400 . 4.400 3.627 3.168 3.705 . 0 0 "[ . 1 . 2]" 1
2489 1 113 LEU HA 1 115 GLN H 4.800 . 4.800 4.106 3.849 4.267 . 0 0 "[ . 1 . 2]" 1
2490 1 113 LEU HA 1 116 LYS H 4.240 . 4.240 3.078 2.905 3.406 . 0 0 "[ . 1 . 2]" 1
2491 1 113 LEU HA 1 116 LYS QB 3.640 . 3.640 2.348 2.065 2.949 . 0 0 "[ . 1 . 2]" 1
2492 1 113 LEU HA 1 116 LYS HD2 5.400 . 5.400 3.962 3.396 4.846 . 0 0 "[ . 1 . 2]" 1
2493 1 113 LEU HA 1 116 LYS QD 4.660 . 4.660 2.517 1.915 4.250 . 0 0 "[ . 1 . 2]" 1
2494 1 113 LEU HA 1 116 LYS HD3 5.400 . 5.400 2.579 1.923 4.895 . 0 0 "[ . 1 . 2]" 1
2495 1 113 LEU HA 1 117 ALA H 4.970 . 4.970 4.216 4.044 4.442 . 0 0 "[ . 1 . 2]" 1
2496 1 113 LEU HB2 1 113 LEU QD 3.150 . 3.150 2.292 2.048 2.377 . 0 0 "[ . 1 . 2]" 1
2497 1 113 LEU HB2 1 113 LEU HG 2.960 . 2.960 2.507 2.417 2.903 . 0 0 "[ . 1 . 2]" 1
2498 1 113 LEU HB2 1 114 ALA H 3.770 . 3.770 3.116 2.808 3.241 . 0 0 "[ . 1 . 2]" 1
2499 1 113 LEU HB3 1 114 ALA H 4.020 . 4.020 3.525 3.326 3.704 . 0 0 "[ . 1 . 2]" 1
2500 1 113 LEU HB3 1 115 GLN H 6.070 . 6.070 5.435 5.275 5.548 . 0 0 "[ . 1 . 2]" 1
2501 1 113 LEU HB3 1 116 LYS QE 6.300 . 6.300 5.367 4.219 6.015 . 0 0 "[ . 1 . 2]" 1
2502 1 113 LEU QD 1 114 ALA MB 5.450 . 5.450 4.931 4.723 4.987 . 0 0 "[ . 1 . 2]" 1
2503 1 113 LEU QD 1 115 GLN H 6.300 . 6.300 4.868 4.664 5.018 . 0 0 "[ . 1 . 2]" 1
2504 1 113 LEU QD 1 116 LYS H 4.750 . 4.750 4.006 3.765 4.468 . 0 0 "[ . 1 . 2]" 1
2505 1 113 LEU QD 1 116 LYS QB 4.570 . 4.570 2.546 2.323 3.395 . 0 0 "[ . 1 . 2]" 1
2506 1 113 LEU QD 1 116 LYS HD2 4.970 . 4.970 3.211 2.948 4.148 . 0 0 "[ . 1 . 2]" 1
2507 1 113 LEU QD 1 116 LYS QD 4.280 . 4.280 1.962 1.565 3.441 . 0 0 "[ . 1 . 2]" 1
2508 1 113 LEU QD 1 116 LYS HD3 4.970 . 4.970 2.019 1.571 4.140 . 0 0 "[ . 1 . 2]" 1
2509 1 113 LEU QD 1 116 LYS QE 4.280 . 4.280 2.523 1.660 3.857 . 0 0 "[ . 1 . 2]" 1
2510 1 113 LEU QD 1 117 ALA H 5.330 . 5.330 4.554 4.352 5.375 0.045 5 0 "[ . 1 . 2]" 1
2511 1 113 LEU HG 1 116 LYS QE 6.300 . 6.300 5.141 4.382 6.012 . 0 0 "[ . 1 . 2]" 1
2512 1 114 ALA H 1 114 ALA MB 2.960 . 2.960 2.225 2.205 2.249 . 0 0 "[ . 1 . 2]" 1
2513 1 114 ALA H 1 115 GLN H 3.390 . 3.390 2.672 2.566 2.747 . 0 0 "[ . 1 . 2]" 1
2514 1 114 ALA H 1 115 GLN HB2 5.300 . 5.300 4.740 4.506 4.945 . 0 0 "[ . 1 . 2]" 1
2515 1 114 ALA H 1 115 GLN HG2 6.300 . 6.300 6.275 6.102 6.361 0.061 15 0 "[ . 1 . 2]" 1
2516 1 114 ALA H 1 115 GLN HG3 5.030 . 5.030 4.702 4.452 4.857 . 0 0 "[ . 1 . 2]" 1
2517 1 114 ALA H 1 116 LYS H 4.840 . 4.840 4.030 3.912 4.200 . 0 0 "[ . 1 . 2]" 1
2518 1 114 ALA H 1 117 ALA MB 5.930 . 5.930 4.698 4.526 4.953 . 0 0 "[ . 1 . 2]" 1
2519 1 114 ALA HA 1 116 LYS H 4.900 . 4.900 4.260 4.128 4.417 . 0 0 "[ . 1 . 2]" 1
2520 1 114 ALA HA 1 117 ALA H 4.110 . 4.110 3.317 3.080 3.492 . 0 0 "[ . 1 . 2]" 1
2521 1 114 ALA HA 1 117 ALA MB 3.720 . 3.720 2.633 2.385 2.857 . 0 0 "[ . 1 . 2]" 1
2522 1 114 ALA HA 1 118 LEU H 5.520 . 5.520 4.627 4.130 5.129 . 0 0 "[ . 1 . 2]" 1
2523 1 114 ALA HA 1 118 LEU HG 6.300 . 6.300 5.052 4.208 6.150 . 0 0 "[ . 1 . 2]" 1
2524 1 114 ALA MB 1 115 GLN H 3.410 . 3.410 2.645 2.560 2.729 . 0 0 "[ . 1 . 2]" 1
2525 1 114 ALA MB 1 115 GLN HA 5.070 . 5.070 3.973 3.886 4.030 . 0 0 "[ . 1 . 2]" 1
2526 1 114 ALA MB 1 115 GLN HB2 4.870 . 4.870 4.593 4.479 4.728 . 0 0 "[ . 1 . 2]" 1
2527 1 114 ALA MB 1 115 GLN HG2 5.530 . 5.530 4.734 4.481 4.942 . 0 0 "[ . 1 . 2]" 1
2528 1 114 ALA MB 1 115 GLN HG3 4.990 . 4.990 3.494 3.309 3.715 . 0 0 "[ . 1 . 2]" 1
2529 1 114 ALA MB 1 116 LYS H 4.980 . 4.980 4.486 4.425 4.615 . 0 0 "[ . 1 . 2]" 1
2530 1 114 ALA MB 1 117 ALA H 5.290 . 5.290 4.474 4.321 4.602 . 0 0 "[ . 1 . 2]" 1
2531 1 114 ALA MB 1 117 ALA MB 4.360 . 4.360 3.752 3.532 3.982 . 0 0 "[ . 1 . 2]" 1
2532 1 115 GLN H 1 115 GLN HB2 3.240 . 3.240 2.369 2.278 2.492 . 0 0 "[ . 1 . 2]" 1
2533 1 115 GLN H 1 115 GLN HE21 5.610 . 5.610 3.593 3.362 4.157 . 0 0 "[ . 1 . 2]" 1
2534 1 115 GLN H 1 115 GLN HG2 4.050 . 4.050 3.783 3.593 3.908 . 0 0 "[ . 1 . 2]" 1
2535 1 115 GLN H 1 115 GLN HG3 3.530 . 3.530 2.495 2.247 2.675 . 0 0 "[ . 1 . 2]" 1
2536 1 115 GLN H 1 116 LYS H 3.390 . 3.390 2.548 2.448 2.649 . 0 0 "[ . 1 . 2]" 1
2537 1 115 GLN H 1 116 LYS QB 5.830 . 5.830 4.502 4.306 4.745 . 0 0 "[ . 1 . 2]" 1
2538 1 115 GLN H 1 117 ALA H 4.600 . 4.600 3.937 3.785 4.043 . 0 0 "[ . 1 . 2]" 1
2539 1 115 GLN H 1 118 LEU H 5.750 . 5.750 5.078 4.877 5.316 . 0 0 "[ . 1 . 2]" 1
2540 1 115 GLN HA 1 115 GLN HG2 4.050 . 4.050 2.598 2.515 2.740 . 0 0 "[ . 1 . 2]" 1
2541 1 115 GLN HA 1 115 GLN HG3 4.280 . 4.280 2.837 2.747 2.943 . 0 0 "[ . 1 . 2]" 1
2542 1 115 GLN HA 1 118 LEU QB 5.110 . 5.110 3.582 3.069 3.804 . 0 0 "[ . 1 . 2]" 1
2543 1 115 GLN HA 1 118 LEU MD1 4.490 . 4.490 3.442 2.891 3.929 . 0 0 "[ . 1 . 2]" 1
2544 1 115 GLN HA 1 118 LEU HG 6.140 . 6.140 5.301 4.573 6.181 0.041 1 0 "[ . 1 . 2]" 1
2545 1 115 GLN HA 1 119 LYS H 5.460 . 5.460 5.198 4.854 5.530 0.070 13 0 "[ . 1 . 2]" 1
2546 1 115 GLN HB2 1 115 GLN HE21 4.750 . 4.750 3.121 2.830 3.996 . 0 0 "[ . 1 . 2]" 1
2547 1 115 GLN HB2 1 116 LYS H 3.510 . 3.510 2.747 2.629 2.859 . 0 0 "[ . 1 . 2]" 1
2548 1 115 GLN HB3 1 115 GLN HE22 5.610 . 5.610 4.569 4.443 4.867 . 0 0 "[ . 1 . 2]" 1
2549 1 115 GLN HB3 1 116 LYS QD 6.100 . 6.100 5.768 5.441 6.127 0.027 13 0 "[ . 1 . 2]" 1
2550 1 115 GLN HE21 1 115 GLN HG3 3.350 . 3.350 2.211 2.179 2.235 . 0 0 "[ . 1 . 2]" 1
2551 1 115 GLN HE22 1 115 GLN HG3 3.700 . 3.700 3.474 3.461 3.485 . 0 0 "[ . 1 . 2]" 1
2552 1 115 GLN HG2 1 116 LYS H 5.370 . 5.370 5.108 5.060 5.162 . 0 0 "[ . 1 . 2]" 1
2553 1 115 GLN HG2 1 118 LEU MD1 6.010 . 6.010 5.155 4.683 5.649 . 0 0 "[ . 1 . 2]" 1
2554 1 115 GLN HG3 1 116 LYS H 4.950 . 4.950 4.479 4.265 4.605 . 0 0 "[ . 1 . 2]" 1
2555 1 116 LYS H 1 116 LYS QB 2.920 . 2.920 2.341 2.211 2.576 . 0 0 "[ . 1 . 2]" 1
2556 1 116 LYS H 1 116 LYS HD2 4.730 . 4.730 4.642 4.301 4.878 0.148 19 0 "[ . 1 . 2]" 1
2557 1 116 LYS H 1 116 LYS QD 4.160 . 4.160 3.750 3.478 4.272 0.112 12 0 "[ . 1 . 2]" 1
2558 1 116 LYS H 1 116 LYS HD3 4.730 . 4.730 3.974 3.654 4.819 0.089 12 0 "[ . 1 . 2]" 1
2559 1 116 LYS H 1 116 LYS QG 4.350 . 4.350 2.413 2.188 2.700 . 0 0 "[ . 1 . 2]" 1
2560 1 116 LYS H 1 117 ALA H 3.360 . 3.360 2.519 2.435 2.641 . 0 0 "[ . 1 . 2]" 1
2561 1 116 LYS HA 1 116 LYS QD 5.020 . 5.020 4.143 3.859 4.206 . 0 0 "[ . 1 . 2]" 1
2562 1 116 LYS HA 1 116 LYS QE 5.270 . 5.270 4.189 3.757 4.513 . 0 0 "[ . 1 . 2]" 1
2563 1 116 LYS HA 1 119 LYS H 4.200 . 4.200 3.650 3.124 4.062 . 0 0 "[ . 1 . 2]" 1
2564 1 116 LYS HA 1 119 LYS HA 5.030 . 5.030 4.621 4.156 5.024 . 0 0 "[ . 1 . 2]" 1
2565 1 116 LYS HA 1 119 LYS HB2 4.460 . 4.460 4.083 3.689 4.472 0.012 11 0 "[ . 1 . 2]" 1
2566 1 116 LYS HA 1 119 LYS QG 4.010 . 4.010 3.207 2.141 3.885 . 0 0 "[ . 1 . 2]" 1
2567 1 116 LYS QB 1 116 LYS QE 4.400 . 4.400 2.095 1.831 2.233 . 0 0 "[ . 1 . 2]" 1
2568 1 116 LYS QB 1 117 ALA H 3.330 . 3.330 2.940 2.884 3.030 . 0 0 "[ . 1 . 2]" 1
2569 1 116 LYS QB 1 117 ALA HA 5.000 . 5.000 4.057 3.944 4.172 . 0 0 "[ . 1 . 2]" 1
2570 1 116 LYS QB 1 118 LEU H 5.160 . 5.160 4.864 4.680 5.048 . 0 0 "[ . 1 . 2]" 1
2571 1 116 LYS QB 1 119 LYS QG 4.810 . 4.810 4.016 3.244 4.445 . 0 0 "[ . 1 . 2]" 1
2572 1 116 LYS QG 1 119 LYS HE2 5.440 . 5.440 4.608 3.299 5.536 0.096 15 0 "[ . 1 . 2]" 1
2573 1 116 LYS QG 1 119 LYS QE 4.630 . 4.630 3.867 2.929 4.518 . 0 0 "[ . 1 . 2]" 1
2574 1 116 LYS QG 1 119 LYS HE3 5.440 . 5.440 4.211 3.046 5.391 . 0 0 "[ . 1 . 2]" 1
2575 1 117 ALA H 1 117 ALA MB 2.950 . 2.950 2.231 2.186 2.258 . 0 0 "[ . 1 . 2]" 1
2576 1 117 ALA H 1 118 LEU H 3.430 . 3.430 2.597 2.527 2.691 . 0 0 "[ . 1 . 2]" 1
2577 1 117 ALA H 1 118 LEU HG 6.260 . 6.260 4.614 4.010 5.614 . 0 0 "[ . 1 . 2]" 1
2578 1 117 ALA H 1 119 LYS H 4.500 . 4.500 4.115 3.951 4.301 . 0 0 "[ . 1 . 2]" 1
2579 1 117 ALA H 1 119 LYS QG 6.240 . 6.240 4.789 4.457 5.122 . 0 0 "[ . 1 . 2]" 1
2580 1 117 ALA HA 1 118 LEU HA 5.050 . 5.050 4.604 4.567 4.693 . 0 0 "[ . 1 . 2]" 1
2581 1 117 ALA HA 1 118 LEU MD1 5.330 . 5.330 5.320 4.552 5.577 0.247 15 0 "[ . 1 . 2]" 1
2582 1 117 ALA HA 1 118 LEU HG 5.780 . 5.780 4.746 4.383 5.454 . 0 0 "[ . 1 . 2]" 1
2583 1 117 ALA HA 1 119 LYS H 5.200 . 5.200 4.002 3.791 4.181 . 0 0 "[ . 1 . 2]" 1
2584 1 117 ALA HA 1 119 LYS QD 6.300 . 6.300 5.476 4.948 6.064 . 0 0 "[ . 1 . 2]" 1
2585 1 117 ALA HA 1 119 LYS QG 6.020 . 6.020 4.186 3.860 4.390 . 0 0 "[ . 1 . 2]" 1
2586 1 117 ALA HA 1 120 ASP H 6.250 . 6.250 5.645 5.264 6.001 . 0 0 "[ . 1 . 2]" 1
2587 1 117 ALA HA 1 123 LYS QE 6.030 . 6.030 3.819 2.622 5.490 . 0 0 "[ . 1 . 2]" 1
2588 1 117 ALA MB 1 118 LEU H 3.280 . 3.280 2.627 2.423 2.810 . 0 0 "[ . 1 . 2]" 1
2589 1 117 ALA MB 1 118 LEU HA 4.580 . 4.580 3.913 3.828 3.987 . 0 0 "[ . 1 . 2]" 1
2590 1 117 ALA MB 1 118 LEU MD1 3.530 . 3.530 3.009 2.240 3.283 . 0 0 "[ . 1 . 2]" 1
2591 1 117 ALA MB 1 118 LEU MD2 4.380 . 4.380 3.817 3.162 4.490 0.110 11 0 "[ . 1 . 2]" 1
2592 1 117 ALA MB 1 118 LEU HG 4.410 . 4.410 2.704 2.218 3.513 . 0 0 "[ . 1 . 2]" 1
2593 1 117 ALA MB 1 119 LYS H 4.760 . 4.760 4.360 4.289 4.464 . 0 0 "[ . 1 . 2]" 1
2594 1 117 ALA MB 1 123 LYS QD 5.130 . 5.130 4.225 3.794 5.115 . 0 0 "[ . 1 . 2]" 1
2595 1 118 LEU H 1 118 LEU QB 3.840 . 3.840 2.450 2.308 2.570 . 0 0 "[ . 1 . 2]" 1
2596 1 118 LEU H 1 118 LEU MD1 3.690 . 3.690 2.956 2.189 3.314 . 0 0 "[ . 1 . 2]" 1
2597 1 118 LEU H 1 118 LEU MD2 4.510 . 4.510 4.059 3.741 4.352 . 0 0 "[ . 1 . 2]" 1
2598 1 118 LEU H 1 118 LEU HG 3.310 . 3.310 2.803 2.397 3.363 0.053 13 0 "[ . 1 . 2]" 1
2599 1 118 LEU H 1 119 LYS H 3.160 . 3.160 2.586 2.342 2.933 . 0 0 "[ . 1 . 2]" 1
2600 1 118 LEU H 1 119 LYS HB2 6.220 . 6.220 5.849 5.666 6.216 . 0 0 "[ . 1 . 2]" 1
2601 1 118 LEU H 1 120 ASP H 5.440 . 5.440 5.059 4.660 5.444 0.004 3 0 "[ . 1 . 2]" 1
2602 1 118 LEU H 1 121 ALA H 5.520 . 5.520 5.235 4.801 5.543 0.023 11 0 "[ . 1 . 2]" 1
2603 1 118 LEU HA 1 118 LEU MD1 4.400 . 4.400 3.788 3.389 3.914 . 0 0 "[ . 1 . 2]" 1
2604 1 118 LEU HA 1 118 LEU MD2 3.680 . 3.680 2.664 2.311 3.381 . 0 0 "[ . 1 . 2]" 1
2605 1 118 LEU HA 1 120 ASP H 4.730 . 4.730 3.862 3.435 4.364 . 0 0 "[ . 1 . 2]" 1
2606 1 118 LEU HA 1 121 ALA H 4.000 . 4.000 2.997 2.653 3.279 . 0 0 "[ . 1 . 2]" 1
2607 1 118 LEU HA 1 121 ALA HA 4.260 . 4.260 2.995 2.602 3.368 . 0 0 "[ . 1 . 2]" 1
2608 1 118 LEU HA 1 121 ALA MB 4.080 . 4.080 3.814 2.827 4.146 0.066 14 0 "[ . 1 . 2]" 1
2609 1 118 LEU HA 1 123 LYS QD 4.770 . 4.770 4.206 3.682 4.800 0.030 5 0 "[ . 1 . 2]" 1
2610 1 118 LEU MD1 1 119 LYS H 4.840 . 4.840 4.953 4.595 5.110 0.270 15 0 "[ . 1 . 2]" 1
2611 1 118 LEU MD1 1 119 LYS HB3 6.300 . 6.300 6.387 6.256 6.449 0.149 15 0 "[ . 1 . 2]" 1
2612 1 118 LEU MD2 1 121 ALA H 5.530 . 5.530 4.683 4.397 4.904 . 0 0 "[ . 1 . 2]" 1
2613 1 118 LEU MD2 1 121 ALA HA 5.100 . 5.100 3.550 3.122 3.807 . 0 0 "[ . 1 . 2]" 1
2614 1 118 LEU MD2 1 121 ALA MB 4.060 . 4.060 3.655 3.087 4.149 0.089 6 0 "[ . 1 . 2]" 1
2615 1 119 LYS H 1 119 LYS HB2 3.780 . 3.780 3.620 3.588 3.661 . 0 0 "[ . 1 . 2]" 1
2616 1 119 LYS H 1 119 LYS HB3 3.190 . 3.190 2.578 2.372 2.688 . 0 0 "[ . 1 . 2]" 1
2617 1 119 LYS H 1 119 LYS QD 5.050 . 5.050 4.013 3.720 4.397 . 0 0 "[ . 1 . 2]" 1
2618 1 119 LYS H 1 119 LYS QG 3.440 . 3.440 2.212 2.103 2.477 . 0 0 "[ . 1 . 2]" 1
2619 1 119 LYS H 1 120 ASP H 3.440 . 3.440 2.735 2.541 2.998 . 0 0 "[ . 1 . 2]" 1
2620 1 119 LYS H 1 120 ASP HA 5.840 . 5.840 5.342 5.202 5.506 . 0 0 "[ . 1 . 2]" 1
2621 1 119 LYS H 1 123 LYS QD 4.210 . 4.210 3.650 3.358 4.042 . 0 0 "[ . 1 . 2]" 1
2622 1 119 LYS HA 1 119 LYS QG 3.920 . 3.920 3.382 3.354 3.498 . 0 0 "[ . 1 . 2]" 1
2623 1 119 LYS HA 1 121 ALA H 4.990 . 4.990 4.321 4.044 4.695 . 0 0 "[ . 1 . 2]" 1
2624 1 119 LYS HB2 1 120 ASP H 4.140 . 4.140 3.813 3.451 4.134 . 0 0 "[ . 1 . 2]" 1
2625 1 119 LYS HB3 1 120 ASP H 4.190 . 4.190 4.015 3.916 4.121 . 0 0 "[ . 1 . 2]" 1
2626 1 119 LYS QD 1 120 ASP H 5.030 . 5.030 3.848 2.404 4.429 . 0 0 "[ . 1 . 2]" 1
2627 1 119 LYS QD 1 123 LYS QD 3.930 . 3.930 3.695 2.474 4.177 0.247 1 0 "[ . 1 . 2]" 1
2628 1 119 LYS QG 1 120 ASP H 4.140 . 4.140 2.178 1.723 2.525 . 0 0 "[ . 1 . 2]" 1
2629 1 119 LYS QG 1 120 ASP QB 3.960 . 3.960 3.387 2.474 4.032 0.072 6 0 "[ . 1 . 2]" 1
2630 1 119 LYS QG 1 121 ALA H 4.740 . 4.740 3.977 3.630 4.339 . 0 0 "[ . 1 . 2]" 1
2631 1 119 LYS QG 1 123 LYS QD 2.820 . 2.820 2.785 2.308 3.107 0.287 5 0 "[ . 1 . 2]" 1
2632 1 119 LYS QG 1 123 LYS QE 3.940 . 3.940 3.554 2.216 4.209 0.269 6 0 "[ . 1 . 2]" 1
2633 1 120 ASP H 1 120 ASP HB2 3.850 . 3.850 2.680 2.352 3.790 . 0 0 "[ . 1 . 2]" 1
2634 1 120 ASP H 1 120 ASP HB3 3.850 . 3.850 3.538 2.383 3.708 . 0 0 "[ . 1 . 2]" 1
2635 1 120 ASP H 1 121 ALA H 3.260 . 3.260 2.066 1.752 2.197 . 0 0 "[ . 1 . 2]" 1
2636 1 120 ASP H 1 121 ALA MB 4.840 . 4.840 4.399 4.107 4.556 . 0 0 "[ . 1 . 2]" 1
2637 1 120 ASP H 1 122 GLU H 5.160 . 5.160 3.836 3.429 4.188 . 0 0 "[ . 1 . 2]" 1
2638 1 120 ASP H 1 123 LYS QD 4.700 . 4.700 3.130 2.689 3.842 . 0 0 "[ . 1 . 2]" 1
2639 1 120 ASP HA 1 121 ALA H 3.640 . 3.640 3.371 3.268 3.467 . 0 0 "[ . 1 . 2]" 1
2640 1 120 ASP HA 1 121 ALA MB 4.580 . 4.580 4.232 4.037 4.406 . 0 0 "[ . 1 . 2]" 1
2641 1 120 ASP HA 1 122 GLU H 4.760 . 4.760 4.324 4.017 4.607 . 0 0 "[ . 1 . 2]" 1
2642 1 120 ASP QB 1 121 ALA H 3.830 . 3.830 3.116 2.795 3.788 . 0 0 "[ . 1 . 2]" 1
2643 1 120 ASP QB 1 121 ALA MB 4.830 . 4.830 4.365 4.280 4.597 . 0 0 "[ . 1 . 2]" 1
2644 1 120 ASP HB2 1 121 ALA H 4.410 . 4.410 3.316 2.885 4.123 . 0 0 "[ . 1 . 2]" 1
2645 1 120 ASP HB3 1 121 ALA H 4.410 . 4.410 3.978 2.851 4.422 0.012 2 0 "[ . 1 . 2]" 1
2646 1 121 ALA H 1 121 ALA MB 3.090 . 3.090 2.792 2.721 2.850 . 0 0 "[ . 1 . 2]" 1
2647 1 121 ALA H 1 122 GLU H 3.230 . 3.230 2.849 2.698 2.992 . 0 0 "[ . 1 . 2]" 1
2648 1 121 ALA H 1 122 GLU QB 5.350 . 5.350 5.144 4.621 5.437 0.087 9 0 "[ . 1 . 2]" 1
2649 1 121 ALA HA 1 122 GLU QB 6.100 . 6.100 5.102 4.851 5.340 . 0 0 "[ . 1 . 2]" 1
2650 1 121 ALA MB 1 122 GLU H 4.020 . 4.020 3.611 3.434 3.691 . 0 0 "[ . 1 . 2]" 1
2651 1 121 ALA MB 1 122 GLU QB 5.250 . 5.250 4.545 4.065 4.830 . 0 0 "[ . 1 . 2]" 1
2652 1 121 ALA MB 1 122 GLU QG 5.240 . 5.240 3.707 3.301 4.801 . 0 0 "[ . 1 . 2]" 1
2653 1 121 ALA MB 1 123 LYS H 5.510 . 5.510 4.840 4.455 5.605 0.095 16 0 "[ . 1 . 2]" 1
2654 1 122 GLU H 1 122 GLU HB2 4.040 . 4.040 3.043 2.570 3.949 . 0 0 "[ . 1 . 2]" 1
2655 1 122 GLU H 1 122 GLU QB 3.140 . 3.140 2.799 2.526 3.286 0.146 16 0 "[ . 1 . 2]" 1
2656 1 122 GLU H 1 122 GLU HB3 4.040 . 4.040 3.670 3.035 3.858 . 0 0 "[ . 1 . 2]" 1
2657 1 122 GLU H 1 122 GLU HG2 4.530 . 4.530 3.627 2.234 4.349 . 0 0 "[ . 1 . 2]" 1
2658 1 122 GLU H 1 122 GLU QG 3.700 . 3.700 2.907 2.162 3.437 . 0 0 "[ . 1 . 2]" 1
2659 1 122 GLU H 1 122 GLU HG3 4.530 . 4.530 3.324 2.234 4.301 . 0 0 "[ . 1 . 2]" 1
2660 1 122 GLU H 1 123 LYS HB3 5.790 . 5.790 5.371 5.015 5.912 0.122 18 0 "[ . 1 . 2]" 1
2661 1 122 GLU H 1 123 LYS QG 5.240 . 5.240 3.231 2.529 5.053 . 0 0 "[ . 1 . 2]" 1
2662 1 122 GLU HA 1 122 GLU QG 3.910 . 3.910 2.774 2.265 3.445 . 0 0 "[ . 1 . 2]" 1
2663 1 122 GLU QB 1 123 LYS H 4.440 . 4.440 3.715 3.165 4.032 . 0 0 "[ . 1 . 2]" 1
2664 1 122 GLU QG 1 123 LYS H 4.820 . 4.820 4.245 2.919 4.568 . 0 0 "[ . 1 . 2]" 1
2665 1 122 GLU HG2 1 123 LYS H 5.520 . 5.520 4.862 3.561 5.309 . 0 0 "[ . 1 . 2]" 1
2666 1 122 GLU HG3 1 123 LYS H 5.520 . 5.520 4.811 3.099 5.587 0.067 7 0 "[ . 1 . 2]" 1
2667 1 123 LYS H 1 123 LYS HB2 3.290 . 3.290 2.496 2.220 2.869 . 0 0 "[ . 1 . 2]" 1
2668 1 123 LYS H 1 123 LYS HB3 3.980 . 3.980 3.626 3.381 3.845 . 0 0 "[ . 1 . 2]" 1
2669 1 123 LYS H 1 123 LYS QE 6.300 . 6.300 4.868 3.749 5.457 . 0 0 "[ . 1 . 2]" 1
2670 1 123 LYS H 1 123 LYS QG 3.810 . 3.810 2.667 2.077 3.944 0.134 18 0 "[ . 1 . 2]" 1
2671 1 123 LYS H 1 124 LEU H 4.700 . 4.700 4.393 3.913 4.617 . 0 0 "[ . 1 . 2]" 1
2672 1 123 LYS HA 1 123 LYS QD 4.480 . 4.480 3.822 2.038 4.300 . 0 0 "[ . 1 . 2]" 1
2673 1 123 LYS HA 1 123 LYS QE 4.800 . 4.800 3.970 2.011 4.877 0.077 9 0 "[ . 1 . 2]" 1
2674 1 123 LYS HA 1 123 LYS HG2 4.460 . 4.460 2.815 2.406 3.650 . 0 0 "[ . 1 . 2]" 1
2675 1 123 LYS HA 1 123 LYS QG 3.780 . 3.780 2.510 2.273 3.297 . 0 0 "[ . 1 . 2]" 1
2676 1 123 LYS HA 1 123 LYS HG3 4.460 . 4.460 3.083 2.298 3.889 . 0 0 "[ . 1 . 2]" 1
2677 1 123 LYS HA 1 124 LEU H 2.950 . 2.950 2.340 2.115 2.937 . 0 0 "[ . 1 . 2]" 1
2678 1 123 LYS HB2 1 124 LEU H 4.830 . 4.830 3.972 2.796 4.509 . 0 0 "[ . 1 . 2]" 1
2679 1 123 LYS HB3 1 124 LEU H 4.320 . 4.320 3.130 1.824 4.157 . 0 0 "[ . 1 . 2]" 1
2680 1 123 LYS QG 1 124 LEU H 5.310 . 5.310 4.096 3.087 4.544 . 0 0 "[ . 1 . 2]" 1
2681 1 124 LEU H 1 124 LEU HB2 3.800 . 3.800 2.871 2.216 3.868 0.068 7 0 "[ . 1 . 2]" 1
2682 1 124 LEU H 1 124 LEU QB 2.950 . 2.950 2.547 2.194 3.046 0.096 9 0 "[ . 1 . 2]" 1
2683 1 124 LEU H 1 124 LEU HB3 3.800 . 3.800 3.245 2.546 3.792 . 0 0 "[ . 1 . 2]" 1
2684 1 124 LEU H 1 124 LEU QD 4.670 . 4.670 3.034 1.716 4.075 . 0 0 "[ . 1 . 2]" 1
2685 1 124 LEU HA 1 124 LEU QD 3.450 . 3.450 2.537 1.864 3.426 . 0 0 "[ . 1 . 2]" 1
2686 1 124 LEU HA 1 125 GLU H 3.520 . 3.520 2.196 2.034 2.448 . 0 0 "[ . 1 . 2]" 1
2687 1 124 LEU QB 1 125 GLU H 4.320 . 4.320 3.252 2.061 3.980 . 0 0 "[ . 1 . 2]" 1
2688 1 124 LEU QD 1 125 GLU H 4.950 . 4.950 3.395 2.679 4.317 . 0 0 "[ . 1 . 2]" 1
2689 1 125 GLU H 1 125 GLU QB 3.380 . 3.380 2.636 2.228 3.243 . 0 0 "[ . 1 . 2]" 1
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