NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520023 |
2lio   |
17900 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lio
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 1663
_Distance_constraint_stats_list.Viol_count 1777
_Distance_constraint_stats_list.Viol_total 2782.882
_Distance_constraint_stats_list.Viol_max 0.576
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0783
_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 2 LYS 0.111 0.111 1 0 "[ . 1 . 2]"
1 3 LYS 8.137 0.389 15 0 "[ . 1 . 2]"
1 4 GLU 3.635 0.277 13 0 "[ . 1 . 2]"
1 5 LYS 3.177 0.173 13 0 "[ . 1 . 2]"
1 6 ILE 5.628 0.287 15 0 "[ . 1 . 2]"
1 7 HIS 0.653 0.131 2 0 "[ . 1 . 2]"
1 8 LEU 5.443 0.287 15 0 "[ . 1 . 2]"
1 9 GLU 4.169 0.248 17 0 "[ . 1 . 2]"
1 10 TYR 0.870 0.130 20 0 "[ . 1 . 2]"
1 11 LEU 1.866 0.245 20 0 "[ . 1 . 2]"
1 12 LEU 4.064 0.576 11 1 "[ . 1+ . 2]"
1 13 ASN 3.034 0.576 11 1 "[ . 1+ . 2]"
1 14 ALA 0.171 0.091 8 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 2.609 0.296 8 0 "[ . 1 . 2]"
1 19 ILE 4.331 0.296 8 0 "[ . 1 . 2]"
1 20 LEU 5.839 0.242 17 0 "[ . 1 . 2]"
1 21 TRP 2.593 0.182 17 0 "[ . 1 . 2]"
1 22 SER 1.605 0.235 13 0 "[ . 1 . 2]"
1 23 ALA 3.537 0.154 4 0 "[ . 1 . 2]"
1 24 ILE 8.271 0.248 6 0 "[ . 1 . 2]"
1 25 SER 3.060 0.126 18 0 "[ . 1 . 2]"
1 26 THR 5.532 0.256 4 0 "[ . 1 . 2]"
1 27 PRO 5.987 0.256 4 0 "[ . 1 . 2]"
1 28 THR 0.072 0.043 2 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 5.743 0.278 4 0 "[ . 1 . 2]"
1 31 GLU 0.391 0.119 9 0 "[ . 1 . 2]"
1 32 ASP 0.172 0.154 4 0 "[ . 1 . 2]"
1 33 TRP 1.304 0.118 2 0 "[ . 1 . 2]"
1 34 PHE 4.180 0.278 4 0 "[ . 1 . 2]"
1 35 ALA 0.941 0.158 14 0 "[ . 1 . 2]"
1 36 ASP 3.295 0.298 5 0 "[ . 1 . 2]"
1 37 LYS 6.279 0.298 5 0 "[ . 1 . 2]"
1 38 VAL 2.375 0.141 18 0 "[ . 1 . 2]"
1 39 VAL 1.328 0.175 14 0 "[ . 1 . 2]"
1 40 SER 0.184 0.067 4 0 "[ . 1 . 2]"
1 41 ASP 0.784 0.136 18 0 "[ . 1 . 2]"
1 42 ASP 0.641 0.136 18 0 "[ . 1 . 2]"
1 43 LYS 0.609 0.104 13 0 "[ . 1 . 2]"
1 44 THR 1.617 0.114 5 0 "[ . 1 . 2]"
1 45 VAL 1.342 0.105 18 0 "[ . 1 . 2]"
1 46 THR 1.857 0.127 1 0 "[ . 1 . 2]"
1 47 PHE 6.531 0.214 17 0 "[ . 1 . 2]"
1 48 CYS 1.750 0.183 20 0 "[ . 1 . 2]"
1 49 TRP 0.202 0.096 17 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 2.219 0.247 7 0 "[ . 1 . 2]"
1 54 GLN 3.925 0.345 7 0 "[ . 1 . 2]"
1 55 ARG 3.621 0.356 17 0 "[ . 1 . 2]"
1 56 GLN 3.062 0.356 17 0 "[ . 1 . 2]"
1 57 ALA 2.407 0.158 11 0 "[ . 1 . 2]"
1 58 GLY 0.281 0.089 15 0 "[ . 1 . 2]"
1 59 ILE 1.960 0.124 14 0 "[ . 1 . 2]"
1 60 VAL 1.453 0.127 11 0 "[ . 1 . 2]"
1 61 ALA 0.082 0.048 14 0 "[ . 1 . 2]"
1 62 ILE 4.648 0.227 3 0 "[ . 1 . 2]"
1 63 ARG 0.587 0.097 17 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 3.514 0.170 13 0 "[ . 1 . 2]"
1 66 SER 0.873 0.139 12 0 "[ . 1 . 2]"
1 67 PHE 2.382 0.139 12 0 "[ . 1 . 2]"
1 68 ILE 7.611 0.237 1 0 "[ . 1 . 2]"
1 69 ARG 3.526 0.237 1 0 "[ . 1 . 2]"
1 70 PHE 2.415 0.227 3 0 "[ . 1 . 2]"
1 71 HIS 0.675 0.240 19 0 "[ . 1 . 2]"
1 72 TRP 0.473 0.240 19 0 "[ . 1 . 2]"
1 73 LEU 1.856 0.158 11 0 "[ . 1 . 2]"
1 74 ASP 0.400 0.120 19 0 "[ . 1 . 2]"
1 75 ASP 0.857 0.173 18 0 "[ . 1 . 2]"
1 76 GLU 0.600 0.219 5 0 "[ . 1 . 2]"
1 77 ASN 2.126 0.319 5 0 "[ . 1 . 2]"
1 78 GLU 1.369 0.319 5 0 "[ . 1 . 2]"
1 79 ARG 0.374 0.115 8 0 "[ . 1 . 2]"
1 80 ASP 0.914 0.149 18 0 "[ . 1 . 2]"
1 81 TYR 0.662 0.137 13 0 "[ . 1 . 2]"
1 82 PHE 0.719 0.142 15 0 "[ . 1 . 2]"
1 83 GLU 1.249 0.153 20 0 "[ . 1 . 2]"
1 84 ILE 5.853 0.210 2 0 "[ . 1 . 2]"
1 85 LYS 1.518 0.164 6 0 "[ . 1 . 2]"
1 86 MET 8.726 0.242 17 0 "[ . 1 . 2]"
1 87 SER 3.467 0.222 13 0 "[ . 1 . 2]"
1 88 TYR 1.779 0.207 16 0 "[ . 1 . 2]"
1 89 ASN 2.229 0.199 8 0 "[ . 1 . 2]"
1 90 GLU 0.565 0.120 12 0 "[ . 1 . 2]"
1 91 LEU 3.468 0.245 16 0 "[ . 1 . 2]"
1 92 THR 6.792 0.245 16 0 "[ . 1 . 2]"
1 93 GLY 0.149 0.090 10 0 "[ . 1 . 2]"
1 94 ASP 0.328 0.199 8 0 "[ . 1 . 2]"
1 95 TYR 3.907 0.326 6 0 "[ . 1 . 2]"
1 96 VAL 1.693 0.286 1 0 "[ . 1 . 2]"
1 97 LEU 7.028 0.289 6 0 "[ . 1 . 2]"
1 98 GLU 1.970 0.286 1 0 "[ . 1 . 2]"
1 99 ILE 4.156 0.226 10 0 "[ . 1 . 2]"
1 100 THR 0.421 0.096 1 0 "[ . 1 . 2]"
1 101 ASP 0.861 0.128 16 0 "[ . 1 . 2]"
1 102 PHE 1.457 0.153 13 0 "[ . 1 . 2]"
1 103 SER 0.938 0.167 20 0 "[ . 1 . 2]"
1 104 GLU 6.079 0.389 15 0 "[ . 1 . 2]"
1 105 ALA 0.426 0.104 17 0 "[ . 1 . 2]"
1 106 ASP 0.149 0.077 6 0 "[ . 1 . 2]"
1 107 GLU 0.021 0.021 12 0 "[ . 1 . 2]"
1 108 ALA 0.900 0.104 17 0 "[ . 1 . 2]"
1 109 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASP 0.385 0.178 12 0 "[ . 1 . 2]"
1 111 LEU 4.896 0.314 13 0 "[ . 1 . 2]"
1 112 LYS 4.030 0.314 13 0 "[ . 1 . 2]"
1 113 GLU 0.585 0.178 12 0 "[ . 1 . 2]"
1 114 LEU 0.293 0.069 3 0 "[ . 1 . 2]"
1 115 TRP 0.792 0.179 12 0 "[ . 1 . 2]"
1 116 ASP 0.388 0.106 8 0 "[ . 1 . 2]"
1 117 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLN 1.176 0.133 3 0 "[ . 1 . 2]"
1 119 VAL 0.841 0.297 13 0 "[ . 1 . 2]"
1 120 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LYS 2.512 0.199 7 0 "[ . 1 . 2]"
1 122 LEU 3.548 0.297 13 0 "[ . 1 . 2]"
1 123 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ARG 1.933 0.199 7 0 "[ . 1 . 2]"
1 125 THR 1.527 0.199 12 0 "[ . 1 . 2]"
1 126 CYS 0.349 0.146 15 0 "[ . 1 . 2]"
1 127 GLY 0.349 0.146 15 0 "[ . 1 . 2]"
1 128 PHE 0.597 0.244 8 0 "[ . 1 . 2]"
1 129 LEU 1.115 0.309 14 0 "[ . 1 . 2]"
1 130 GLU 0.042 0.026 8 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 2 LYS HA 1 2 LYS QD 4.460 . 4.460 3.943 2.060 4.571 0.111 1 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 2 LYS QG 3.610 . 3.610 2.815 2.392 3.406 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 3 LYS H 3.140 . 3.140 2.325 2.141 3.074 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 3 LYS QB 3.530 . 3.530 2.685 2.124 3.472 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 3 LYS HG2 4.730 . 4.730 2.937 2.023 4.719 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS H 1 3 LYS HG3 4.730 . 4.730 3.577 2.303 4.521 . 0 0 "[ . 1 . 2]" 1
7 1 3 LYS HA 1 3 LYS QD 3.910 . 3.910 2.806 2.046 4.098 0.188 20 0 "[ . 1 . 2]" 1
8 1 3 LYS HA 1 3 LYS QE 5.130 . 5.130 4.307 3.352 4.850 . 0 0 "[ . 1 . 2]" 1
9 1 3 LYS HA 1 3 LYS HG2 4.290 . 4.290 2.907 2.477 3.694 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS HA 1 3 LYS QG 3.590 . 3.590 2.742 2.256 3.280 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS HA 1 3 LYS HG3 4.290 . 4.290 3.601 2.436 3.946 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 4 GLU H 3.280 . 3.280 2.349 2.110 2.839 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS HA 1 103 SER H 5.780 . 5.780 4.910 4.429 5.947 0.167 20 0 "[ . 1 . 2]" 1
14 1 3 LYS HA 1 104 GLU QB 5.530 . 5.530 3.756 2.129 4.699 . 0 0 "[ . 1 . 2]" 1
15 1 3 LYS HA 1 104 GLU QG 4.700 . 4.700 3.382 2.110 4.744 0.044 20 0 "[ . 1 . 2]" 1
16 1 3 LYS QB 1 4 GLU HA 4.590 . 4.590 4.170 3.697 4.671 0.081 14 0 "[ . 1 . 2]" 1
17 1 3 LYS QB 1 4 GLU QB 4.900 . 4.900 4.474 4.202 4.707 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS QB 1 4 GLU QG 5.610 . 5.610 5.576 5.225 5.784 0.174 14 0 "[ . 1 . 2]" 1
19 1 3 LYS QB 1 103 SER H 4.390 . 4.390 3.692 2.666 4.457 0.067 20 0 "[ . 1 . 2]" 1
20 1 3 LYS HB2 1 4 GLU H 4.050 . 4.050 3.734 2.652 4.162 0.112 3 0 "[ . 1 . 2]" 1
21 1 3 LYS HB3 1 4 GLU H 4.050 . 4.050 2.672 2.073 3.382 . 0 0 "[ . 1 . 2]" 1
22 1 3 LYS QD 1 103 SER H 5.610 . 5.610 4.236 3.310 5.620 0.010 19 0 "[ . 1 . 2]" 1
23 1 3 LYS QD 1 104 GLU H 4.060 . 4.060 2.639 1.625 3.928 . 0 0 "[ . 1 . 2]" 1
24 1 3 LYS QD 1 104 GLU HA 4.710 . 4.710 3.383 2.014 4.532 . 0 0 "[ . 1 . 2]" 1
25 1 3 LYS QD 1 104 GLU QB 3.490 . 3.490 3.391 2.355 3.825 0.335 14 0 "[ . 1 . 2]" 1
26 1 3 LYS QD 1 104 GLU QG 3.530 . 3.530 2.493 1.478 3.715 0.185 12 0 "[ . 1 . 2]" 1
27 1 3 LYS QG 1 4 GLU H 4.330 . 4.330 4.084 1.907 4.607 0.277 13 0 "[ . 1 . 2]" 1
28 1 3 LYS QG 1 104 GLU HA 4.430 . 4.430 3.992 2.476 4.819 0.389 15 0 "[ . 1 . 2]" 1
29 1 3 LYS QG 1 104 GLU QG 3.990 . 3.990 3.186 1.559 4.360 0.370 12 0 "[ . 1 . 2]" 1
30 1 4 GLU H 1 4 GLU HB2 4.060 . 4.060 3.077 2.616 3.419 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLU H 1 4 GLU QB 3.480 . 3.480 2.491 2.256 2.788 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU H 1 4 GLU HB3 4.060 . 4.060 2.636 2.439 2.983 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU H 1 4 GLU QG 4.110 . 4.110 4.074 3.990 4.185 0.075 19 0 "[ . 1 . 2]" 1
34 1 4 GLU H 1 103 SER H 4.060 . 4.060 3.240 2.656 3.933 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU H 1 104 GLU HA 4.670 . 4.670 3.031 2.186 3.783 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU HA 1 4 GLU QG 3.600 . 3.600 2.523 2.421 2.580 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLU HA 1 5 LYS H 3.040 . 3.040 2.197 2.137 2.270 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLU QB 1 6 ILE MG 4.560 . 4.560 3.285 2.888 3.740 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLU HB2 1 5 LYS H 4.550 . 4.550 4.288 4.094 4.490 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLU HB3 1 5 LYS H 4.550 . 4.550 4.269 4.067 4.443 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU QG 1 5 LYS H 4.330 . 4.330 2.883 2.503 3.308 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU QG 1 5 LYS QB 4.280 . 4.280 4.006 3.551 4.453 0.173 13 0 "[ . 1 . 2]" 1
43 1 4 GLU QG 1 5 LYS QE 5.250 . 5.250 5.186 4.620 5.398 0.148 17 0 "[ . 1 . 2]" 1
44 1 4 GLU QG 1 6 ILE HA 4.770 . 4.770 4.278 3.440 4.829 0.059 6 0 "[ . 1 . 2]" 1
45 1 4 GLU QG 1 6 ILE MG 4.490 . 4.490 2.610 2.093 3.272 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLU QG 1 108 ALA MB 5.780 . 5.780 4.465 3.365 5.685 . 0 0 "[ . 1 . 2]" 1
47 1 5 LYS H 1 5 LYS HB2 3.600 . 3.600 2.545 2.361 2.679 . 0 0 "[ . 1 . 2]" 1
48 1 5 LYS H 1 5 LYS HB3 3.600 . 3.600 2.548 2.388 2.714 . 0 0 "[ . 1 . 2]" 1
49 1 5 LYS HA 1 5 LYS QD 5.030 . 5.030 3.793 3.073 4.325 . 0 0 "[ . 1 . 2]" 1
50 1 5 LYS HA 1 5 LYS QE 5.060 . 5.060 4.434 4.144 4.925 . 0 0 "[ . 1 . 2]" 1
51 1 5 LYS HA 1 5 LYS HG2 4.430 . 4.430 2.740 2.460 3.200 . 0 0 "[ . 1 . 2]" 1
52 1 5 LYS HA 1 5 LYS QG 3.810 . 3.810 2.491 2.425 2.556 . 0 0 "[ . 1 . 2]" 1
53 1 5 LYS HA 1 5 LYS HG3 4.430 . 4.430 3.213 2.673 3.727 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS HA 1 6 ILE H 3.370 . 3.370 2.196 2.146 2.280 . 0 0 "[ . 1 . 2]" 1
55 1 5 LYS HA 1 6 ILE MG 4.890 . 4.890 3.712 3.461 3.919 . 0 0 "[ . 1 . 2]" 1
56 1 5 LYS HA 1 100 THR MG 4.790 . 4.790 4.355 3.846 4.733 . 0 0 "[ . 1 . 2]" 1
57 1 5 LYS HA 1 102 PHE HA 4.050 . 4.050 2.443 2.074 2.792 . 0 0 "[ . 1 . 2]" 1
58 1 5 LYS HA 1 102 PHE QB 5.440 . 5.440 3.649 2.138 4.311 . 0 0 "[ . 1 . 2]" 1
59 1 5 LYS HA 1 102 PHE QD 5.280 . 5.280 4.080 2.313 5.433 0.153 13 0 "[ . 1 . 2]" 1
60 1 5 LYS QB 1 100 THR MG 4.810 . 4.810 4.131 3.687 4.509 . 0 0 "[ . 1 . 2]" 1
61 1 5 LYS HB2 1 5 LYS QE 4.820 . 4.820 3.410 2.923 4.223 . 0 0 "[ . 1 . 2]" 1
62 1 5 LYS HB3 1 5 LYS QE 4.820 . 4.820 2.149 1.946 3.161 . 0 0 "[ . 1 . 2]" 1
63 1 5 LYS QD 1 6 ILE H 4.590 . 4.590 3.672 2.380 4.653 0.063 7 0 "[ . 1 . 2]" 1
64 1 5 LYS QD 1 7 HIS QB 4.970 . 4.970 4.058 3.058 4.982 0.012 10 0 "[ . 1 . 2]" 1
65 1 5 LYS QD 1 7 HIS HD2 4.870 . 4.870 4.332 3.122 4.990 0.120 7 0 "[ . 1 . 2]" 1
66 1 5 LYS QD 1 100 THR MG 3.730 . 3.730 2.134 1.759 2.659 . 0 0 "[ . 1 . 2]" 1
67 1 5 LYS QD 1 101 ASP H 5.780 . 5.780 5.007 3.896 5.862 0.082 3 0 "[ . 1 . 2]" 1
68 1 5 LYS QE 1 5 LYS HG2 3.820 . 3.820 2.973 2.378 3.574 . 0 0 "[ . 1 . 2]" 1
69 1 5 LYS QE 1 5 LYS QG 3.230 . 3.230 2.559 2.331 2.923 . 0 0 "[ . 1 . 2]" 1
70 1 5 LYS QE 1 5 LYS HG3 3.820 . 3.820 3.123 2.468 3.499 . 0 0 "[ . 1 . 2]" 1
71 1 5 LYS QE 1 7 HIS HD2 4.330 . 4.330 3.624 2.481 4.461 0.131 2 0 "[ . 1 . 2]" 1
72 1 5 LYS QE 1 100 THR MG 3.800 . 3.800 3.691 3.348 3.896 0.096 1 0 "[ . 1 . 2]" 1
73 1 5 LYS QG 1 6 ILE H 3.860 . 3.860 2.758 2.432 3.260 . 0 0 "[ . 1 . 2]" 1
74 1 5 LYS QG 1 101 ASP H 5.190 . 5.190 4.341 3.670 4.834 . 0 0 "[ . 1 . 2]" 1
75 1 5 LYS HG2 1 6 ILE H 4.570 . 4.570 2.846 2.493 3.331 . 0 0 "[ . 1 . 2]" 1
76 1 5 LYS HG3 1 6 ILE H 4.570 . 4.570 3.896 3.016 4.641 0.071 19 0 "[ . 1 . 2]" 1
77 1 6 ILE H 1 6 ILE HB 4.280 . 4.280 3.937 3.864 4.027 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE H 1 6 ILE MD 4.640 . 4.640 4.049 3.881 4.186 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE H 1 6 ILE HG12 4.370 . 4.370 2.455 2.255 2.633 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE H 1 6 ILE HG13 4.210 . 4.210 3.376 3.236 3.543 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE H 1 6 ILE MG 4.130 . 4.130 3.045 2.699 3.226 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE H 1 7 HIS H 5.160 . 5.160 4.245 4.082 4.453 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE H 1 100 THR HA 5.040 . 5.040 4.430 4.018 4.880 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE H 1 101 ASP H 4.330 . 4.330 3.375 2.882 3.694 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE H 1 102 PHE HA 4.170 . 4.170 3.320 2.805 3.675 . 0 0 "[ . 1 . 2]" 1
86 1 6 ILE HA 1 6 ILE MD 4.510 . 4.510 4.280 4.246 4.306 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE HA 1 6 ILE MG 3.520 . 3.520 2.438 2.381 2.479 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE HA 1 7 HIS H 3.090 . 3.090 2.269 2.156 2.520 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE HA 1 7 HIS HA 4.820 . 4.820 4.491 4.445 4.572 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE HA 1 7 HIS QB 5.080 . 5.080 4.481 4.112 4.742 . 0 0 "[ . 1 . 2]" 1
91 1 6 ILE HB 1 6 ILE MD 3.730 . 3.730 2.550 2.464 2.597 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE HB 1 7 HIS H 3.940 . 3.940 3.165 2.192 3.753 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE HB 1 101 ASP H 5.780 . 5.780 5.140 4.885 5.380 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE MD 1 7 HIS H 5.640 . 5.640 4.975 3.948 5.442 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE MD 1 101 ASP H 4.600 . 4.600 4.342 3.838 4.728 0.128 16 0 "[ . 1 . 2]" 1
96 1 6 ILE MD 1 101 ASP HB2 4.920 . 4.920 4.299 3.582 4.944 0.024 18 0 "[ . 1 . 2]" 1
97 1 6 ILE MD 1 101 ASP HB3 4.920 . 4.920 2.972 2.232 4.997 0.077 5 0 "[ . 1 . 2]" 1
98 1 6 ILE MD 1 102 PHE HA 5.120 . 5.120 4.481 4.043 5.133 0.013 2 0 "[ . 1 . 2]" 1
99 1 6 ILE MD 1 103 SER QB 4.130 . 4.130 2.505 1.957 3.588 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE MD 1 108 ALA HA 4.390 . 4.390 3.400 2.660 4.191 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE MD 1 111 LEU HB3 4.200 . 4.200 2.425 2.018 3.241 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE MD 1 112 LYS H 5.090 . 5.090 4.490 4.088 4.895 . 0 0 "[ . 1 . 2]" 1
103 1 6 ILE MD 1 112 LYS QD 4.950 . 4.950 3.759 2.625 4.819 . 0 0 "[ . 1 . 2]" 1
104 1 6 ILE MD 1 112 LYS QG 4.320 . 4.320 4.037 2.940 4.494 0.174 4 0 "[ . 1 . 2]" 1
105 1 6 ILE HG12 1 101 ASP QB 4.820 . 4.820 3.023 2.260 4.335 . 0 0 "[ . 1 . 2]" 1
106 1 6 ILE HG12 1 102 PHE HA 4.970 . 4.970 3.594 2.946 4.469 . 0 0 "[ . 1 . 2]" 1
107 1 6 ILE HG13 1 6 ILE MG 3.450 . 3.450 3.257 3.245 3.264 . 0 0 "[ . 1 . 2]" 1
108 1 6 ILE HG13 1 7 HIS H 4.770 . 4.770 4.136 3.185 4.591 . 0 0 "[ . 1 . 2]" 1
109 1 6 ILE HG13 1 7 HIS HA 4.920 . 4.920 4.111 3.635 4.511 . 0 0 "[ . 1 . 2]" 1
110 1 6 ILE HG13 1 8 LEU H 4.530 . 4.530 4.389 4.090 4.606 0.076 9 0 "[ . 1 . 2]" 1
111 1 6 ILE HG13 1 8 LEU HA 5.390 . 5.390 5.581 5.409 5.677 0.287 15 0 "[ . 1 . 2]" 1
112 1 6 ILE HG13 1 101 ASP H 4.610 . 4.610 3.171 2.855 3.484 . 0 0 "[ . 1 . 2]" 1
113 1 6 ILE MG 1 7 HIS H 4.650 . 4.650 4.043 3.631 4.293 . 0 0 "[ . 1 . 2]" 1
114 1 6 ILE MG 1 102 PHE HA 4.640 . 4.640 4.110 3.675 4.653 0.013 8 0 "[ . 1 . 2]" 1
115 1 6 ILE MG 1 103 SER HB2 5.670 . 5.670 3.633 2.806 4.352 . 0 0 "[ . 1 . 2]" 1
116 1 6 ILE MG 1 103 SER QB 4.770 . 4.770 3.480 2.758 4.160 . 0 0 "[ . 1 . 2]" 1
117 1 6 ILE MG 1 103 SER HB3 5.670 . 5.670 4.794 3.708 5.577 . 0 0 "[ . 1 . 2]" 1
118 1 6 ILE MG 1 108 ALA HA 4.960 . 4.960 4.046 3.102 4.922 . 0 0 "[ . 1 . 2]" 1
119 1 6 ILE MG 1 108 ALA MB 4.820 . 4.820 2.915 1.944 3.747 . 0 0 "[ . 1 . 2]" 1
120 1 6 ILE MG 1 111 LEU HB3 5.780 . 5.780 4.515 3.475 5.661 . 0 0 "[ . 1 . 2]" 1
121 1 6 ILE MG 1 112 LYS QD 5.610 . 5.610 4.027 3.286 5.226 . 0 0 "[ . 1 . 2]" 1
122 1 6 ILE MG 1 112 LYS QE 4.740 . 4.740 2.450 1.840 3.470 . 0 0 "[ . 1 . 2]" 1
123 1 6 ILE MG 1 112 LYS QG 5.080 . 5.080 4.076 3.039 4.951 . 0 0 "[ . 1 . 2]" 1
124 1 7 HIS H 1 7 HIS HB2 4.020 . 4.020 3.659 2.432 3.966 . 0 0 "[ . 1 . 2]" 1
125 1 7 HIS H 1 7 HIS HB3 4.020 . 4.020 3.120 2.638 3.561 . 0 0 "[ . 1 . 2]" 1
126 1 7 HIS H 1 8 LEU H 4.950 . 4.950 4.283 3.910 4.453 . 0 0 "[ . 1 . 2]" 1
127 1 7 HIS H 1 8 LEU QD 5.020 . 5.020 3.596 3.002 3.931 . 0 0 "[ . 1 . 2]" 1
128 1 7 HIS HA 1 7 HIS HD2 4.940 . 4.940 4.467 3.060 4.759 . 0 0 "[ . 1 . 2]" 1
129 1 7 HIS HA 1 8 LEU H 3.380 . 3.380 2.155 2.120 2.190 . 0 0 "[ . 1 . 2]" 1
130 1 7 HIS HA 1 8 LEU HA 4.660 . 4.660 4.452 4.406 4.501 . 0 0 "[ . 1 . 2]" 1
131 1 7 HIS HA 1 100 THR HA 3.840 . 3.840 2.429 2.129 3.117 . 0 0 "[ . 1 . 2]" 1
132 1 7 HIS HA 1 101 ASP H 4.790 . 4.790 3.494 3.125 4.450 . 0 0 "[ . 1 . 2]" 1
133 1 7 HIS QB 1 8 LEU H 4.640 . 4.640 3.446 3.160 3.931 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU H 1 8 LEU HB2 3.850 . 3.850 2.528 2.319 2.650 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU H 1 8 LEU QD 4.170 . 4.170 2.300 1.950 3.263 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU H 1 100 THR HA 4.220 . 4.220 3.773 3.364 4.188 . 0 0 "[ . 1 . 2]" 1
137 1 8 LEU HA 1 8 LEU QD 3.210 . 3.210 2.249 2.019 2.712 . 0 0 "[ . 1 . 2]" 1
138 1 8 LEU HA 1 9 GLU H 3.090 . 3.090 2.199 2.142 2.274 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU HA 1 9 GLU HA 4.770 . 4.770 4.485 4.417 4.545 . 0 0 "[ . 1 . 2]" 1
140 1 8 LEU HA 1 9 GLU QB 5.660 . 5.660 4.193 3.911 4.679 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU HB3 1 9 GLU H 4.020 . 4.020 3.513 2.951 3.681 . 0 0 "[ . 1 . 2]" 1
142 1 8 LEU HB3 1 9 GLU QB 5.780 . 5.780 5.408 5.036 5.740 . 0 0 "[ . 1 . 2]" 1
143 1 8 LEU HB3 1 10 TYR QE 4.980 . 4.980 3.155 2.133 3.535 . 0 0 "[ . 1 . 2]" 1
144 1 8 LEU QD 1 9 GLU H 4.030 . 4.030 3.885 3.556 4.278 0.248 17 0 "[ . 1 . 2]" 1
145 1 8 LEU QD 1 9 GLU HA 5.780 . 5.780 5.411 5.282 5.601 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU QD 1 10 TYR QE 4.920 . 4.920 3.744 2.956 4.128 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU QD 1 99 ILE HB 4.920 . 4.920 3.282 2.506 4.119 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU QD 1 99 ILE MG 4.290 . 4.290 2.796 2.030 3.861 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU QD 1 112 LYS QD 4.230 . 4.230 3.081 2.204 4.079 . 0 0 "[ . 1 . 2]" 1
150 1 8 LEU QD 1 112 LYS QE 3.720 . 3.720 3.212 2.435 3.809 0.089 11 0 "[ . 1 . 2]" 1
151 1 8 LEU QD 1 112 LYS QG 4.540 . 4.540 4.103 2.470 4.594 0.054 14 0 "[ . 1 . 2]" 1
152 1 8 LEU QD 1 115 TRP H 4.970 . 4.970 3.999 2.756 5.149 0.179 12 0 "[ . 1 . 2]" 1
153 1 8 LEU HG 1 10 TYR QE 4.900 . 4.900 4.376 3.824 4.917 0.017 17 0 "[ . 1 . 2]" 1
154 1 8 LEU HG 1 99 ILE MG 5.780 . 5.780 4.817 3.956 5.823 0.043 15 0 "[ . 1 . 2]" 1
155 1 8 LEU HG 1 115 TRP H 5.780 . 5.780 5.030 3.916 5.837 0.057 2 0 "[ . 1 . 2]" 1
156 1 8 LEU HG 1 115 TRP QB 4.250 . 4.250 3.150 2.010 4.306 0.056 1 0 "[ . 1 . 2]" 1
157 1 9 GLU H 1 9 GLU QB 3.550 . 3.550 2.439 2.254 2.640 . 0 0 "[ . 1 . 2]" 1
158 1 9 GLU H 1 9 GLU QG 4.410 . 4.410 3.811 2.720 4.160 . 0 0 "[ . 1 . 2]" 1
159 1 9 GLU HA 1 10 TYR H 3.280 . 3.280 2.161 2.109 2.211 . 0 0 "[ . 1 . 2]" 1
160 1 9 GLU HA 1 10 TYR QD 4.870 . 4.870 3.922 3.125 4.378 . 0 0 "[ . 1 . 2]" 1
161 1 9 GLU HA 1 96 VAL QG 4.770 . 4.770 4.013 3.593 4.577 . 0 0 "[ . 1 . 2]" 1
162 1 9 GLU HA 1 97 LEU HB2 5.780 . 5.780 5.835 5.100 6.000 0.220 12 0 "[ . 1 . 2]" 1
163 1 9 GLU HA 1 98 GLU QG 5.780 . 5.780 3.290 2.381 3.805 . 0 0 "[ . 1 . 2]" 1
164 1 9 GLU HA 1 99 ILE HB 5.780 . 5.780 5.758 5.250 6.006 0.226 10 0 "[ . 1 . 2]" 1
165 1 9 GLU QB 1 10 TYR H 4.120 . 4.120 3.627 2.984 3.921 . 0 0 "[ . 1 . 2]" 1
166 1 9 GLU QB 1 96 VAL QG 4.410 . 4.410 3.435 2.181 4.060 . 0 0 "[ . 1 . 2]" 1
167 1 9 GLU QB 1 98 GLU QG 4.240 . 4.240 3.267 2.033 4.197 . 0 0 "[ . 1 . 2]" 1
168 1 9 GLU QG 1 10 TYR H 4.270 . 4.270 3.290 2.540 4.354 0.084 2 0 "[ . 1 . 2]" 1
169 1 9 GLU QG 1 96 VAL QG 3.680 . 3.680 2.331 1.785 3.715 0.035 7 0 "[ . 1 . 2]" 1
170 1 9 GLU QG 1 98 GLU HA 4.570 . 4.570 3.670 2.803 4.593 0.023 10 0 "[ . 1 . 2]" 1
171 1 10 TYR H 1 10 TYR QD 4.080 . 4.080 2.998 2.167 3.488 . 0 0 "[ . 1 . 2]" 1
172 1 10 TYR H 1 96 VAL QG 4.420 . 4.420 4.109 3.297 4.550 0.130 20 0 "[ . 1 . 2]" 1
173 1 10 TYR H 1 97 LEU H 4.140 . 4.140 2.926 2.638 3.372 . 0 0 "[ . 1 . 2]" 1
174 1 10 TYR H 1 97 LEU HB2 4.780 . 4.780 4.250 3.359 4.479 . 0 0 "[ . 1 . 2]" 1
175 1 10 TYR H 1 98 GLU HA 4.820 . 4.820 3.894 3.602 4.145 . 0 0 "[ . 1 . 2]" 1
176 1 10 TYR H 1 99 ILE MD 4.850 . 4.850 4.520 3.933 4.840 . 0 0 "[ . 1 . 2]" 1
177 1 10 TYR HA 1 10 TYR QD 3.580 . 3.580 2.816 2.444 3.285 . 0 0 "[ . 1 . 2]" 1
178 1 10 TYR HA 1 11 LEU H 3.260 . 3.260 2.247 2.192 2.310 . 0 0 "[ . 1 . 2]" 1
179 1 10 TYR HA 1 11 LEU HA 4.770 . 4.770 4.471 4.419 4.517 . 0 0 "[ . 1 . 2]" 1
180 1 10 TYR HA 1 11 LEU QB 5.610 . 5.610 4.565 4.395 4.887 . 0 0 "[ . 1 . 2]" 1
181 1 10 TYR QB 1 11 LEU H 4.030 . 4.030 3.087 2.887 3.279 . 0 0 "[ . 1 . 2]" 1
182 1 10 TYR QB 1 12 LEU QD 4.020 . 4.020 2.805 2.065 4.079 0.059 2 0 "[ . 1 . 2]" 1
183 1 10 TYR QB 1 97 LEU H 5.500 . 5.500 3.676 3.251 4.029 . 0 0 "[ . 1 . 2]" 1
184 1 10 TYR QB 1 97 LEU HB2 4.110 . 4.110 3.327 2.016 3.661 . 0 0 "[ . 1 . 2]" 1
185 1 10 TYR QB 1 97 LEU HB3 4.990 . 4.990 2.041 1.676 3.027 . 0 0 "[ . 1 . 2]" 1
186 1 10 TYR QB 1 97 LEU MD2 3.860 . 3.860 2.442 2.030 3.470 . 0 0 "[ . 1 . 2]" 1
187 1 10 TYR QB 1 99 ILE MD 5.610 . 5.610 4.134 3.671 4.655 . 0 0 "[ . 1 . 2]" 1
188 1 10 TYR HB2 1 11 LEU H 4.650 . 4.650 4.059 3.779 4.183 . 0 0 "[ . 1 . 2]" 1
189 1 10 TYR HB2 1 97 LEU MD2 4.460 . 4.460 2.492 2.067 3.617 . 0 0 "[ . 1 . 2]" 1
190 1 10 TYR HB3 1 11 LEU H 4.650 . 4.650 3.202 2.967 3.444 . 0 0 "[ . 1 . 2]" 1
191 1 10 TYR HB3 1 97 LEU MD2 4.460 . 4.460 3.541 2.870 4.462 0.002 6 0 "[ . 1 . 2]" 1
192 1 10 TYR QD 1 97 LEU HB3 4.590 . 4.590 2.841 2.286 3.256 . 0 0 "[ . 1 . 2]" 1
193 1 10 TYR QD 1 97 LEU MD2 4.700 . 4.700 2.724 2.064 4.534 . 0 0 "[ . 1 . 2]" 1
194 1 10 TYR QD 1 99 ILE HB 5.030 . 5.030 4.449 3.676 4.986 . 0 0 "[ . 1 . 2]" 1
195 1 10 TYR QD 1 99 ILE MD 3.790 . 3.790 2.459 1.924 3.038 . 0 0 "[ . 1 . 2]" 1
196 1 10 TYR QD 1 99 ILE QG 5.080 . 5.080 4.481 3.899 5.021 . 0 0 "[ . 1 . 2]" 1
197 1 10 TYR QD 1 122 LEU QD 5.710 . 5.710 3.105 2.126 5.219 . 0 0 "[ . 1 . 2]" 1
198 1 10 TYR QE 1 97 LEU HB3 5.430 . 5.430 5.093 4.462 5.432 0.002 7 0 "[ . 1 . 2]" 1
199 1 10 TYR QE 1 99 ILE HB 5.780 . 5.780 2.768 1.848 3.464 . 0 0 "[ . 1 . 2]" 1
200 1 10 TYR QE 1 99 ILE MD 4.020 . 4.020 2.133 1.700 2.526 . 0 0 "[ . 1 . 2]" 1
201 1 10 TYR QE 1 99 ILE HG12 4.770 . 4.770 3.428 3.145 3.703 . 0 0 "[ . 1 . 2]" 1
202 1 10 TYR QE 1 99 ILE QG 4.150 . 4.150 3.336 3.085 3.597 . 0 0 "[ . 1 . 2]" 1
203 1 10 TYR QE 1 99 ILE HG13 4.770 . 4.770 4.592 4.313 4.879 0.109 17 0 "[ . 1 . 2]" 1
204 1 11 LEU H 1 11 LEU HB2 3.960 . 3.960 3.377 2.488 3.771 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU H 1 11 LEU QB 3.350 . 3.350 2.771 2.450 3.143 . 0 0 "[ . 1 . 2]" 1
206 1 11 LEU H 1 11 LEU HB3 3.960 . 3.960 3.215 2.749 3.751 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU H 1 11 LEU QD 4.170 . 4.170 2.069 1.529 3.315 . 0 0 "[ . 1 . 2]" 1
208 1 11 LEU H 1 11 LEU HG 4.000 . 4.000 2.992 1.872 3.921 . 0 0 "[ . 1 . 2]" 1
209 1 11 LEU H 1 12 LEU HA 5.330 . 5.330 5.167 4.893 5.343 0.013 20 0 "[ . 1 . 2]" 1
210 1 11 LEU HA 1 11 LEU QD 3.410 . 3.410 3.239 2.107 3.508 0.098 12 0 "[ . 1 . 2]" 1
211 1 11 LEU HA 1 11 LEU HG 4.210 . 4.210 3.511 2.561 3.876 . 0 0 "[ . 1 . 2]" 1
212 1 11 LEU HA 1 12 LEU H 3.280 . 3.280 2.185 2.132 2.309 . 0 0 "[ . 1 . 2]" 1
213 1 11 LEU QB 1 12 LEU H 4.180 . 4.180 3.527 2.964 3.659 . 0 0 "[ . 1 . 2]" 1
214 1 11 LEU QB 1 12 LEU HA 5.550 . 5.550 4.583 3.839 4.900 . 0 0 "[ . 1 . 2]" 1
215 1 11 LEU QB 1 122 LEU QD 4.460 . 4.460 3.593 1.776 4.705 0.245 20 0 "[ . 1 . 2]" 1
216 1 11 LEU QD 1 94 ASP QB 5.090 . 5.090 4.494 3.607 5.186 0.096 7 0 "[ . 1 . 2]" 1
217 1 11 LEU QD 1 122 LEU HA 5.780 . 5.780 5.129 3.826 6.015 0.235 4 0 "[ . 1 . 2]" 1
218 1 11 LEU QD 1 122 LEU QD 3.230 . 3.230 2.565 2.006 3.245 0.015 18 0 "[ . 1 . 2]" 1
219 1 11 LEU QD 1 122 LEU HG 5.010 . 5.010 4.261 3.105 5.102 0.092 19 0 "[ . 1 . 2]" 1
220 1 12 LEU H 1 12 LEU QB 3.490 . 3.490 2.467 2.213 3.294 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU H 1 12 LEU QD 4.040 . 4.040 3.027 2.013 3.904 . 0 0 "[ . 1 . 2]" 1
222 1 12 LEU H 1 94 ASP QB 5.100 . 5.100 3.839 3.167 4.871 . 0 0 "[ . 1 . 2]" 1
223 1 12 LEU H 1 95 TYR H 4.440 . 4.440 3.187 2.589 4.000 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU H 1 95 TYR HB3 5.780 . 5.780 4.318 3.613 4.873 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU H 1 97 LEU MD2 5.060 . 5.060 5.031 4.720 5.179 0.119 3 0 "[ . 1 . 2]" 1
226 1 12 LEU HA 1 12 LEU QD 3.510 . 3.510 2.070 1.905 3.262 . 0 0 "[ . 1 . 2]" 1
227 1 12 LEU HA 1 122 LEU QD 5.710 . 5.710 3.331 2.002 4.306 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU QB 1 13 ASN H 4.180 . 4.180 3.185 1.943 3.804 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU QB 1 95 TYR H 4.920 . 4.920 3.538 2.579 4.963 0.043 6 0 "[ . 1 . 2]" 1
230 1 12 LEU QB 1 95 TYR HB2 4.880 . 4.880 2.665 1.808 4.748 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU QB 1 95 TYR HB3 5.050 . 5.050 3.582 2.724 5.376 0.326 6 0 "[ . 1 . 2]" 1
232 1 12 LEU QB 1 97 LEU MD2 4.120 . 4.120 3.684 2.687 4.254 0.134 11 0 "[ . 1 . 2]" 1
233 1 12 LEU HB2 1 95 TYR HB2 5.680 . 5.680 3.121 1.828 5.190 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU HB3 1 95 TYR HB2 5.680 . 5.680 3.385 2.002 5.501 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU QD 1 13 ASN HA 4.850 . 4.850 4.621 3.266 5.426 0.576 11 1 "[ . 1+ . 2]" 1
236 1 12 LEU QD 1 95 TYR H 5.490 . 5.490 4.526 2.405 4.965 . 0 0 "[ . 1 . 2]" 1
237 1 13 ASN HA 1 13 ASN QD 4.290 . 4.290 3.536 2.033 4.355 0.065 12 0 "[ . 1 . 2]" 1
238 1 13 ASN HA 1 14 ALA H 3.640 . 3.640 2.315 2.152 2.717 . 0 0 "[ . 1 . 2]" 1
239 1 13 ASN HA 1 14 ALA HA 5.190 . 5.190 4.414 4.303 4.691 . 0 0 "[ . 1 . 2]" 1
240 1 13 ASN QB 1 14 ALA H 3.820 . 3.820 3.104 2.033 3.911 0.091 8 0 "[ . 1 . 2]" 1
241 1 13 ASN HB2 1 14 ALA H 4.480 . 4.480 3.648 2.046 4.527 0.047 16 0 "[ . 1 . 2]" 1
242 1 13 ASN HB3 1 14 ALA H 4.480 . 4.480 3.661 2.070 4.477 . 0 0 "[ . 1 . 2]" 1
243 1 14 ALA MB 1 15 THR H 4.030 . 4.030 2.859 1.800 3.768 . 0 0 "[ . 1 . 2]" 1
244 1 15 THR H 1 15 THR MG 4.590 . 4.590 3.209 1.946 4.075 . 0 0 "[ . 1 . 2]" 1
245 1 15 THR HA 1 15 THR MG 3.390 . 3.390 2.500 2.325 3.266 . 0 0 "[ . 1 . 2]" 1
246 1 18 ASN HA 1 20 LEU H 5.100 . 5.100 3.853 3.710 4.118 . 0 0 "[ . 1 . 2]" 1
247 1 18 ASN HA 1 20 LEU HB2 4.240 . 4.240 4.208 3.955 4.337 0.097 19 0 "[ . 1 . 2]" 1
248 1 18 ASN HA 1 20 LEU HG 5.660 . 5.660 4.631 4.290 5.125 . 0 0 "[ . 1 . 2]" 1
249 1 18 ASN HA 1 21 TRP H 4.860 . 4.860 4.477 4.264 4.717 . 0 0 "[ . 1 . 2]" 1
250 1 18 ASN HA 1 22 SER H 5.400 . 5.400 4.621 4.392 5.048 . 0 0 "[ . 1 . 2]" 1
251 1 18 ASN HA 1 65 TYR QD 4.990 . 4.990 3.967 3.391 4.666 . 0 0 "[ . 1 . 2]" 1
252 1 18 ASN HA 1 86 MET ME 3.730 . 3.730 2.431 1.893 2.933 . 0 0 "[ . 1 . 2]" 1
253 1 18 ASN HA 1 95 TYR QE 4.230 . 4.230 3.222 1.882 3.894 . 0 0 "[ . 1 . 2]" 1
254 1 18 ASN HB2 1 19 ILE H 4.590 . 4.590 3.979 3.840 4.121 . 0 0 "[ . 1 . 2]" 1
255 1 18 ASN HB2 1 86 MET ME 3.990 . 3.990 3.779 3.372 4.114 0.124 5 0 "[ . 1 . 2]" 1
256 1 18 ASN HB3 1 19 ILE MD 5.570 . 5.570 4.822 4.205 5.866 0.296 8 0 "[ . 1 . 2]" 1
257 1 18 ASN HB3 1 65 TYR QE 3.940 . 3.940 3.903 3.602 4.062 0.122 13 0 "[ . 1 . 2]" 1
258 1 18 ASN HB3 1 95 TYR QE 4.830 . 4.830 2.714 2.043 3.605 . 0 0 "[ . 1 . 2]" 1
259 1 19 ILE H 1 19 ILE HB 3.480 . 3.480 2.554 2.454 2.705 . 0 0 "[ . 1 . 2]" 1
260 1 19 ILE H 1 19 ILE MD 4.250 . 4.250 2.206 1.541 3.285 . 0 0 "[ . 1 . 2]" 1
261 1 19 ILE H 1 19 ILE HG12 4.090 . 4.090 3.472 2.023 3.913 . 0 0 "[ . 1 . 2]" 1
262 1 19 ILE H 1 19 ILE HG13 4.090 . 4.090 2.979 1.815 3.549 . 0 0 "[ . 1 . 2]" 1
263 1 19 ILE H 1 19 ILE MG 4.120 . 4.120 3.812 3.749 3.857 . 0 0 "[ . 1 . 2]" 1
264 1 19 ILE H 1 20 LEU H 4.120 . 4.120 2.837 2.690 2.903 . 0 0 "[ . 1 . 2]" 1
265 1 19 ILE HA 1 19 ILE MD 3.930 . 3.930 3.163 2.002 3.949 0.019 6 0 "[ . 1 . 2]" 1
266 1 19 ILE HA 1 19 ILE HG12 3.970 . 3.970 3.414 2.704 3.721 . 0 0 "[ . 1 . 2]" 1
267 1 19 ILE HA 1 19 ILE HG13 3.970 . 3.970 2.757 2.437 3.783 . 0 0 "[ . 1 . 2]" 1
268 1 19 ILE HA 1 19 ILE MG 3.480 . 3.480 2.531 2.442 2.632 . 0 0 "[ . 1 . 2]" 1
269 1 19 ILE HA 1 21 TRP H 4.980 . 4.980 4.727 4.477 4.916 . 0 0 "[ . 1 . 2]" 1
270 1 19 ILE HA 1 22 SER H 4.780 . 4.780 3.370 3.036 3.624 . 0 0 "[ . 1 . 2]" 1
271 1 19 ILE HB 1 20 LEU H 4.060 . 4.060 3.141 2.975 3.322 . 0 0 "[ . 1 . 2]" 1
272 1 19 ILE HB 1 20 LEU HA 4.490 . 4.490 4.544 4.271 4.671 0.181 12 0 "[ . 1 . 2]" 1
273 1 19 ILE HB 1 22 SER QB 5.130 . 5.130 4.869 4.623 5.365 0.235 13 0 "[ . 1 . 2]" 1
274 1 19 ILE MD 1 19 ILE MG 3.210 . 3.210 2.858 2.074 3.282 0.072 5 0 "[ . 1 . 2]" 1
275 1 19 ILE MD 1 20 LEU H 4.710 . 4.710 4.308 3.836 4.804 0.094 8 0 "[ . 1 . 2]" 1
276 1 19 ILE QG 1 22 SER QB 3.970 . 3.970 3.786 3.473 4.053 0.083 20 0 "[ . 1 . 2]" 1
277 1 19 ILE HG12 1 19 ILE MG 3.730 . 3.730 2.419 2.217 3.251 . 0 0 "[ . 1 . 2]" 1
278 1 19 ILE HG13 1 19 ILE MG 3.730 . 3.730 2.717 2.369 3.254 . 0 0 "[ . 1 . 2]" 1
279 1 19 ILE MG 1 20 LEU H 4.180 . 4.180 3.775 3.506 3.973 . 0 0 "[ . 1 . 2]" 1
280 1 19 ILE MG 1 20 LEU HA 4.220 . 4.220 3.928 3.519 4.247 0.027 13 0 "[ . 1 . 2]" 1
281 1 19 ILE MG 1 22 SER H 4.920 . 4.920 4.753 4.531 4.902 . 0 0 "[ . 1 . 2]" 1
282 1 20 LEU H 1 20 LEU HB2 4.260 . 4.260 2.593 2.522 2.684 . 0 0 "[ . 1 . 2]" 1
283 1 20 LEU H 1 20 LEU HB3 4.300 . 4.300 3.627 3.586 3.662 . 0 0 "[ . 1 . 2]" 1
284 1 20 LEU H 1 20 LEU QD 4.650 . 4.650 3.041 2.844 3.133 . 0 0 "[ . 1 . 2]" 1
285 1 20 LEU H 1 21 TRP H 4.050 . 4.050 3.222 3.151 3.280 . 0 0 "[ . 1 . 2]" 1
286 1 20 LEU H 1 22 SER H 5.220 . 5.220 3.883 3.818 3.966 . 0 0 "[ . 1 . 2]" 1
287 1 20 LEU H 1 22 SER QB 5.110 . 5.110 4.416 4.250 4.735 . 0 0 "[ . 1 . 2]" 1
288 1 20 LEU H 1 86 MET ME 4.790 . 4.790 3.625 3.229 4.138 . 0 0 "[ . 1 . 2]" 1
289 1 20 LEU HA 1 20 LEU MD1 4.530 . 4.530 3.972 3.951 3.991 . 0 0 "[ . 1 . 2]" 1
290 1 20 LEU HA 1 20 LEU QD 3.060 . 3.060 2.182 2.094 2.255 . 0 0 "[ . 1 . 2]" 1
291 1 20 LEU HA 1 20 LEU MD2 4.530 . 4.530 2.193 2.102 2.267 . 0 0 "[ . 1 . 2]" 1
292 1 20 LEU HA 1 21 TRP HA 5.040 . 5.040 4.677 4.650 4.698 . 0 0 "[ . 1 . 2]" 1
293 1 20 LEU HA 1 21 TRP HD1 5.580 . 5.580 5.090 4.817 5.349 . 0 0 "[ . 1 . 2]" 1
294 1 20 LEU HB2 1 21 TRP H 4.120 . 4.120 2.091 1.958 2.194 . 0 0 "[ . 1 . 2]" 1
295 1 20 LEU HB2 1 21 TRP HD1 4.380 . 4.380 3.015 2.599 3.497 . 0 0 "[ . 1 . 2]" 1
296 1 20 LEU HB2 1 86 MET ME 3.650 . 3.650 2.440 1.828 3.040 . 0 0 "[ . 1 . 2]" 1
297 1 20 LEU HB3 1 21 TRP H 4.400 . 4.400 3.057 2.896 3.194 . 0 0 "[ . 1 . 2]" 1
298 1 20 LEU HB3 1 21 TRP HB2 5.380 . 5.380 4.637 4.445 4.765 . 0 0 "[ . 1 . 2]" 1
299 1 20 LEU HB3 1 21 TRP HD1 3.480 . 3.480 2.961 2.579 3.282 . 0 0 "[ . 1 . 2]" 1
300 1 20 LEU HB3 1 21 TRP HE1 4.770 . 4.770 4.407 3.835 4.898 0.128 13 0 "[ . 1 . 2]" 1
301 1 20 LEU HB3 1 86 MET ME 4.210 . 4.210 3.758 3.232 4.249 0.039 4 0 "[ . 1 . 2]" 1
302 1 20 LEU QD 1 86 MET HB2 5.420 . 5.420 5.043 4.490 5.662 0.242 17 0 "[ . 1 . 2]" 1
303 1 20 LEU QD 1 86 MET HB3 4.830 . 4.830 4.817 4.406 5.062 0.232 11 0 "[ . 1 . 2]" 1
304 1 20 LEU QD 1 86 MET ME 3.380 . 3.380 2.994 2.277 3.533 0.153 9 0 "[ . 1 . 2]" 1
305 1 20 LEU QD 1 95 TYR HB2 4.330 . 4.330 3.880 3.268 4.248 . 0 0 "[ . 1 . 2]" 1
306 1 20 LEU QD 1 95 TYR HB3 4.390 . 4.390 4.264 3.594 4.509 0.119 14 0 "[ . 1 . 2]" 1
307 1 20 LEU QD 1 95 TYR QD 4.390 . 4.390 4.076 2.701 4.562 0.172 7 0 "[ . 1 . 2]" 1
308 1 20 LEU MD1 1 21 TRP H 5.780 . 5.780 4.024 3.863 4.128 . 0 0 "[ . 1 . 2]" 1
309 1 20 LEU MD2 1 21 TRP H 5.780 . 5.780 4.590 4.540 4.636 . 0 0 "[ . 1 . 2]" 1
310 1 21 TRP H 1 21 TRP HB2 3.790 . 3.790 2.399 2.351 2.464 . 0 0 "[ . 1 . 2]" 1
311 1 21 TRP H 1 21 TRP HB3 3.870 . 3.870 3.635 3.599 3.673 . 0 0 "[ . 1 . 2]" 1
312 1 21 TRP H 1 21 TRP HD1 5.180 . 5.180 3.059 2.834 3.326 . 0 0 "[ . 1 . 2]" 1
313 1 21 TRP H 1 21 TRP HE1 5.780 . 5.780 5.435 5.134 5.722 . 0 0 "[ . 1 . 2]" 1
314 1 21 TRP H 1 84 ILE MG 5.780 . 5.780 4.726 4.429 4.921 . 0 0 "[ . 1 . 2]" 1
315 1 21 TRP H 1 86 MET ME 4.180 . 4.180 2.264 1.712 2.576 . 0 0 "[ . 1 . 2]" 1
316 1 21 TRP H 1 97 LEU MD1 5.780 . 5.780 4.220 3.670 4.566 . 0 0 "[ . 1 . 2]" 1
317 1 21 TRP H 1 97 LEU MD2 5.490 . 5.490 5.010 4.347 5.490 . 0 0 "[ . 1 . 2]" 1
318 1 21 TRP HA 1 23 ALA MB 5.470 . 5.470 3.721 3.524 4.101 . 0 0 "[ . 1 . 2]" 1
319 1 21 TRP HA 1 24 ILE H 4.190 . 4.190 3.804 3.447 4.152 . 0 0 "[ . 1 . 2]" 1
320 1 21 TRP HA 1 24 ILE MD 3.910 . 3.910 3.706 3.388 3.922 0.012 13 0 "[ . 1 . 2]" 1
321 1 21 TRP HA 1 33 TRP HH2 4.110 . 4.110 3.258 2.366 3.891 . 0 0 "[ . 1 . 2]" 1
322 1 21 TRP HA 1 33 TRP HZ2 3.790 . 3.790 2.605 2.388 2.908 . 0 0 "[ . 1 . 2]" 1
323 1 21 TRP HA 1 84 ILE MG 4.800 . 4.800 4.315 4.213 4.480 . 0 0 "[ . 1 . 2]" 1
324 1 21 TRP HA 1 86 MET ME 5.620 . 5.620 4.278 3.905 4.733 . 0 0 "[ . 1 . 2]" 1
325 1 21 TRP HB2 1 22 SER H 5.110 . 5.110 3.314 2.979 3.501 . 0 0 "[ . 1 . 2]" 1
326 1 21 TRP HB2 1 23 ALA H 5.780 . 5.780 5.248 5.171 5.341 . 0 0 "[ . 1 . 2]" 1
327 1 21 TRP HB2 1 24 ILE MD 4.820 . 4.820 4.197 3.718 4.576 . 0 0 "[ . 1 . 2]" 1
328 1 21 TRP HB2 1 24 ILE QG 5.780 . 5.780 5.052 4.782 5.400 . 0 0 "[ . 1 . 2]" 1
329 1 21 TRP HB2 1 24 ILE MG 5.380 . 5.380 4.969 4.408 5.325 . 0 0 "[ . 1 . 2]" 1
330 1 21 TRP HB2 1 33 TRP HH2 5.780 . 5.780 5.316 4.658 5.678 . 0 0 "[ . 1 . 2]" 1
331 1 21 TRP HB2 1 86 MET ME 4.260 . 4.260 2.081 1.610 2.847 . 0 0 "[ . 1 . 2]" 1
332 1 21 TRP HB2 1 97 LEU MD2 5.450 . 5.450 4.568 4.295 4.947 . 0 0 "[ . 1 . 2]" 1
333 1 21 TRP HB3 1 22 SER H 4.890 . 4.890 3.968 3.695 4.187 . 0 0 "[ . 1 . 2]" 1
334 1 21 TRP HB3 1 24 ILE MD 5.340 . 5.340 2.702 2.240 3.075 . 0 0 "[ . 1 . 2]" 1
335 1 21 TRP HB3 1 86 MET ME 4.300 . 4.300 3.547 3.062 4.335 0.035 19 0 "[ . 1 . 2]" 1
336 1 21 TRP HD1 1 86 MET ME 5.780 . 5.780 2.824 2.331 3.449 . 0 0 "[ . 1 . 2]" 1
337 1 21 TRP HD1 1 97 LEU HB2 5.780 . 5.780 5.135 4.851 5.765 . 0 0 "[ . 1 . 2]" 1
338 1 21 TRP HD1 1 97 LEU MD1 3.550 . 3.550 2.454 2.235 2.741 . 0 0 "[ . 1 . 2]" 1
339 1 21 TRP HE1 1 97 LEU MD2 5.570 . 5.570 2.010 1.680 3.444 . 0 0 "[ . 1 . 2]" 1
340 1 21 TRP HH2 1 84 ILE MD 4.570 . 4.570 4.618 4.553 4.698 0.128 20 0 "[ . 1 . 2]" 1
341 1 21 TRP HH2 1 84 ILE HG12 5.030 . 5.030 4.203 3.965 4.544 . 0 0 "[ . 1 . 2]" 1
342 1 21 TRP HH2 1 84 ILE HG13 5.570 . 5.570 5.003 4.739 5.226 . 0 0 "[ . 1 . 2]" 1
343 1 21 TRP HZ2 1 84 ILE MG 4.800 . 4.800 4.733 4.373 4.949 0.149 2 0 "[ . 1 . 2]" 1
344 1 21 TRP HZ2 1 97 LEU MD1 5.780 . 5.780 5.214 4.792 5.813 0.033 18 0 "[ . 1 . 2]" 1
345 1 21 TRP HZ2 1 97 LEU MD2 5.780 . 5.780 4.127 3.400 5.661 . 0 0 "[ . 1 . 2]" 1
346 1 21 TRP HZ2 1 99 ILE MD 3.760 . 3.760 3.575 3.303 3.810 0.050 1 0 "[ . 1 . 2]" 1
347 1 21 TRP HZ2 1 99 ILE MG 5.160 . 5.160 4.977 3.906 5.342 0.182 17 0 "[ . 1 . 2]" 1
348 1 22 SER H 1 22 SER HB2 4.060 . 4.060 2.741 2.551 3.635 . 0 0 "[ . 1 . 2]" 1
349 1 22 SER H 1 22 SER QB 3.420 . 3.420 2.317 2.285 2.362 . 0 0 "[ . 1 . 2]" 1
350 1 22 SER H 1 22 SER HB3 4.060 . 4.060 2.576 2.331 2.673 . 0 0 "[ . 1 . 2]" 1
351 1 22 SER H 1 23 ALA H 3.780 . 3.780 2.728 2.570 2.892 . 0 0 "[ . 1 . 2]" 1
352 1 22 SER H 1 23 ALA MB 4.730 . 4.730 4.317 4.185 4.477 . 0 0 "[ . 1 . 2]" 1
353 1 22 SER H 1 24 ILE H 5.290 . 5.290 4.541 4.386 4.708 . 0 0 "[ . 1 . 2]" 1
354 1 22 SER HA 1 24 ILE H 5.400 . 5.400 3.757 3.532 4.001 . 0 0 "[ . 1 . 2]" 1
355 1 22 SER HA 1 24 ILE MD 4.440 . 4.440 4.374 3.943 4.572 0.132 20 0 "[ . 1 . 2]" 1
356 1 22 SER HA 1 24 ILE MG 5.780 . 5.780 4.936 4.644 5.204 . 0 0 "[ . 1 . 2]" 1
357 1 22 SER QB 1 23 ALA H 3.930 . 3.930 3.183 3.055 3.647 . 0 0 "[ . 1 . 2]" 1
358 1 23 ALA H 1 23 ALA MB 3.190 . 3.190 2.203 2.181 2.224 . 0 0 "[ . 1 . 2]" 1
359 1 23 ALA H 1 24 ILE H 3.820 . 3.820 2.837 2.757 2.889 . 0 0 "[ . 1 . 2]" 1
360 1 23 ALA H 1 24 ILE MD 5.160 . 5.160 5.246 5.180 5.289 0.129 3 0 "[ . 1 . 2]" 1
361 1 23 ALA H 1 24 ILE MG 5.260 . 5.260 4.078 3.815 4.347 . 0 0 "[ . 1 . 2]" 1
362 1 23 ALA H 1 25 SER H 4.830 . 4.830 4.459 4.352 4.610 . 0 0 "[ . 1 . 2]" 1
363 1 23 ALA H 1 33 TRP HE1 5.780 . 5.780 4.763 4.408 5.027 . 0 0 "[ . 1 . 2]" 1
364 1 23 ALA H 1 86 MET ME 5.780 . 5.780 5.329 4.762 5.844 0.064 17 0 "[ . 1 . 2]" 1
365 1 23 ALA HA 1 24 ILE MG 5.780 . 5.780 4.974 4.888 5.119 . 0 0 "[ . 1 . 2]" 1
366 1 23 ALA HA 1 30 LEU H 4.820 . 4.820 4.865 4.515 4.952 0.132 9 0 "[ . 1 . 2]" 1
367 1 23 ALA MB 1 24 ILE H 3.980 . 3.980 2.798 2.658 2.987 . 0 0 "[ . 1 . 2]" 1
368 1 23 ALA MB 1 24 ILE HA 5.780 . 5.780 3.884 3.817 3.955 . 0 0 "[ . 1 . 2]" 1
369 1 23 ALA MB 1 24 ILE MG 3.570 . 3.570 3.184 3.063 3.391 . 0 0 "[ . 1 . 2]" 1
370 1 23 ALA MB 1 25 SER H 5.100 . 5.100 4.493 4.377 4.596 . 0 0 "[ . 1 . 2]" 1
371 1 23 ALA MB 1 30 LEU HA 5.780 . 5.780 3.597 3.191 3.875 . 0 0 "[ . 1 . 2]" 1
372 1 23 ALA MB 1 30 LEU QD 4.640 . 4.640 4.466 4.068 4.745 0.105 8 0 "[ . 1 . 2]" 1
373 1 23 ALA MB 1 32 ASP QB 4.010 . 4.010 3.751 3.321 4.164 0.154 4 0 "[ . 1 . 2]" 1
374 1 23 ALA MB 1 33 TRP HD1 4.070 . 4.070 3.603 3.221 4.086 0.016 4 0 "[ . 1 . 2]" 1
375 1 23 ALA MB 1 33 TRP HE1 4.000 . 4.000 2.206 1.881 2.593 . 0 0 "[ . 1 . 2]" 1
376 1 23 ALA MB 1 33 TRP HZ2 4.000 . 4.000 3.184 2.413 3.931 . 0 0 "[ . 1 . 2]" 1
377 1 24 ILE H 1 24 ILE MD 4.750 . 4.750 3.564 3.512 3.617 . 0 0 "[ . 1 . 2]" 1
378 1 24 ILE H 1 24 ILE QG 4.490 . 4.490 2.216 2.049 2.359 . 0 0 "[ . 1 . 2]" 1
379 1 24 ILE H 1 24 ILE MG 3.660 . 3.660 2.181 2.096 2.337 . 0 0 "[ . 1 . 2]" 1
380 1 24 ILE H 1 25 SER H 3.910 . 3.910 2.674 2.601 2.782 . 0 0 "[ . 1 . 2]" 1
381 1 24 ILE H 1 25 SER HB3 4.810 . 4.810 4.858 4.818 4.895 0.085 12 0 "[ . 1 . 2]" 1
382 1 24 ILE H 1 30 LEU HB2 5.780 . 5.780 5.527 4.866 6.028 0.248 6 0 "[ . 1 . 2]" 1
383 1 24 ILE HA 1 24 ILE MG 3.530 . 3.530 2.407 2.351 2.468 . 0 0 "[ . 1 . 2]" 1
384 1 24 ILE HA 1 30 LEU HA 5.070 . 5.070 2.881 2.425 3.293 . 0 0 "[ . 1 . 2]" 1
385 1 24 ILE HA 1 30 LEU HB2 3.810 . 3.810 2.965 2.230 3.555 . 0 0 "[ . 1 . 2]" 1
386 1 24 ILE HA 1 30 LEU MD1 4.470 . 4.470 2.753 1.817 3.418 . 0 0 "[ . 1 . 2]" 1
387 1 24 ILE HA 1 30 LEU QD 3.610 . 3.610 2.529 1.811 2.892 . 0 0 "[ . 1 . 2]" 1
388 1 24 ILE HA 1 30 LEU MD2 4.470 . 4.470 3.236 2.879 3.659 . 0 0 "[ . 1 . 2]" 1
389 1 24 ILE HA 1 30 LEU HG 4.300 . 4.300 2.318 1.487 4.373 0.073 1 0 "[ . 1 . 2]" 1
390 1 24 ILE HA 1 33 TRP HE1 4.160 . 4.160 4.000 3.497 4.239 0.079 7 0 "[ . 1 . 2]" 1
391 1 24 ILE HB 1 24 ILE MD 3.680 . 3.680 2.610 2.571 2.643 . 0 0 "[ . 1 . 2]" 1
392 1 24 ILE HB 1 25 SER H 5.780 . 5.780 4.205 4.060 4.312 . 0 0 "[ . 1 . 2]" 1
393 1 24 ILE HB 1 30 LEU MD1 5.780 . 5.780 2.887 1.886 3.476 . 0 0 "[ . 1 . 2]" 1
394 1 24 ILE HB 1 30 LEU QD 4.510 . 4.510 2.663 1.879 3.029 . 0 0 "[ . 1 . 2]" 1
395 1 24 ILE HB 1 30 LEU MD2 5.780 . 5.780 3.404 3.030 4.128 . 0 0 "[ . 1 . 2]" 1
396 1 24 ILE HB 1 30 LEU HG 5.740 . 5.740 3.405 2.332 5.409 . 0 0 "[ . 1 . 2]" 1
397 1 24 ILE HB 1 33 TRP HZ2 5.030 . 5.030 4.894 4.744 5.042 0.012 4 0 "[ . 1 . 2]" 1
398 1 24 ILE HB 1 68 ILE MD 5.320 . 5.320 3.879 3.443 4.283 . 0 0 "[ . 1 . 2]" 1
399 1 24 ILE HB 1 68 ILE MG 4.890 . 4.890 4.847 4.645 5.050 0.160 4 0 "[ . 1 . 2]" 1
400 1 24 ILE HB 1 70 PHE QE 5.780 . 5.780 3.207 2.677 3.623 . 0 0 "[ . 1 . 2]" 1
401 1 24 ILE HB 1 84 ILE MD 4.690 . 4.690 4.710 4.443 4.836 0.146 9 0 "[ . 1 . 2]" 1
402 1 24 ILE MD 1 25 SER H 4.940 . 4.940 4.365 4.186 4.544 . 0 0 "[ . 1 . 2]" 1
403 1 24 ILE MD 1 25 SER HA 5.440 . 5.440 5.085 4.894 5.197 . 0 0 "[ . 1 . 2]" 1
404 1 24 ILE MD 1 33 TRP HH2 5.450 . 5.450 4.524 3.981 4.748 . 0 0 "[ . 1 . 2]" 1
405 1 24 ILE MD 1 33 TRP HZ2 4.840 . 4.840 3.921 3.511 4.428 . 0 0 "[ . 1 . 2]" 1
406 1 24 ILE MD 1 68 ILE H 5.590 . 5.590 5.161 5.053 5.279 . 0 0 "[ . 1 . 2]" 1
407 1 24 ILE MD 1 68 ILE HB 4.360 . 4.360 4.334 4.174 4.410 0.050 9 0 "[ . 1 . 2]" 1
408 1 24 ILE MD 1 70 PHE QE 5.780 . 5.780 2.598 2.145 3.233 . 0 0 "[ . 1 . 2]" 1
409 1 24 ILE MD 1 84 ILE HB 4.170 . 4.170 2.690 2.398 2.922 . 0 0 "[ . 1 . 2]" 1
410 1 24 ILE MD 1 84 ILE MD 3.460 . 3.460 2.090 1.974 2.309 . 0 0 "[ . 1 . 2]" 1
411 1 24 ILE MD 1 84 ILE HG12 4.220 . 4.220 3.135 2.763 3.460 . 0 0 "[ . 1 . 2]" 1
412 1 24 ILE MD 1 84 ILE MG 3.200 . 3.200 3.217 2.762 3.410 0.210 2 0 "[ . 1 . 2]" 1
413 1 24 ILE QG 1 25 SER HA 4.650 . 4.650 3.531 3.332 3.646 . 0 0 "[ . 1 . 2]" 1
414 1 24 ILE QG 1 25 SER HB3 4.610 . 4.610 3.835 3.330 4.580 . 0 0 "[ . 1 . 2]" 1
415 1 24 ILE QG 1 33 TRP HZ2 4.880 . 4.880 4.473 3.948 4.932 0.052 4 0 "[ . 1 . 2]" 1
416 1 24 ILE QG 1 68 ILE HB 4.710 . 4.710 4.572 4.390 4.736 0.026 14 0 "[ . 1 . 2]" 1
417 1 24 ILE QG 1 68 ILE MD 3.230 . 3.230 1.825 1.589 2.035 . 0 0 "[ . 1 . 2]" 1
418 1 24 ILE QG 1 70 PHE QE 3.970 . 3.970 2.287 1.813 2.876 . 0 0 "[ . 1 . 2]" 1
419 1 24 ILE MG 1 25 SER H 4.610 . 4.610 4.129 4.023 4.210 . 0 0 "[ . 1 . 2]" 1
420 1 24 ILE MG 1 30 LEU HA 5.780 . 5.780 3.306 2.818 3.645 . 0 0 "[ . 1 . 2]" 1
421 1 24 ILE MG 1 33 TRP HD1 5.390 . 5.390 4.898 4.396 5.310 . 0 0 "[ . 1 . 2]" 1
422 1 24 ILE MG 1 33 TRP HE1 4.760 . 4.760 2.966 2.459 3.413 . 0 0 "[ . 1 . 2]" 1
423 1 24 ILE MG 1 33 TRP HH2 4.400 . 4.400 3.485 3.045 3.855 . 0 0 "[ . 1 . 2]" 1
424 1 24 ILE MG 1 33 TRP HZ2 3.700 . 3.700 2.001 1.763 2.246 . 0 0 "[ . 1 . 2]" 1
425 1 24 ILE MG 1 34 PHE HB2 5.610 . 5.610 4.305 3.820 4.707 . 0 0 "[ . 1 . 2]" 1
426 1 24 ILE MG 1 84 ILE HB 5.780 . 5.780 5.120 4.690 5.467 . 0 0 "[ . 1 . 2]" 1
427 1 24 ILE MG 1 84 ILE MD 4.340 . 4.340 3.836 3.563 4.072 . 0 0 "[ . 1 . 2]" 1
428 1 25 SER H 1 25 SER HB3 4.380 . 4.380 2.509 2.423 2.572 . 0 0 "[ . 1 . 2]" 1
429 1 25 SER H 1 26 THR H 3.610 . 3.610 2.554 2.429 2.689 . 0 0 "[ . 1 . 2]" 1
430 1 25 SER H 1 62 ILE MD 5.090 . 5.090 4.660 4.487 4.968 . 0 0 "[ . 1 . 2]" 1
431 1 25 SER H 1 68 ILE MD 5.730 . 5.730 3.265 3.020 3.487 . 0 0 "[ . 1 . 2]" 1
432 1 25 SER HA 1 62 ILE MD 4.760 . 4.760 3.505 2.725 4.614 . 0 0 "[ . 1 . 2]" 1
433 1 25 SER HA 1 68 ILE MD 3.490 . 3.490 2.362 2.067 2.769 . 0 0 "[ . 1 . 2]" 1
434 1 25 SER HA 1 70 PHE QE 5.780 . 5.780 3.847 3.013 4.614 . 0 0 "[ . 1 . 2]" 1
435 1 25 SER HB2 1 26 THR HA 5.780 . 5.780 5.132 4.685 5.866 0.086 15 0 "[ . 1 . 2]" 1
436 1 25 SER HB2 1 68 ILE MD 3.510 . 3.510 2.777 2.017 3.082 . 0 0 "[ . 1 . 2]" 1
437 1 25 SER HB2 1 68 ILE HG13 4.810 . 4.810 4.816 4.344 4.936 0.126 18 0 "[ . 1 . 2]" 1
438 1 25 SER HB3 1 26 THR HA 5.780 . 5.780 5.513 4.543 5.905 0.125 9 0 "[ . 1 . 2]" 1
439 1 25 SER HB3 1 62 ILE MD 4.140 . 4.140 2.894 2.402 3.973 . 0 0 "[ . 1 . 2]" 1
440 1 25 SER HB3 1 68 ILE MD 3.900 . 3.900 2.557 1.957 3.789 . 0 0 "[ . 1 . 2]" 1
441 1 26 THR H 1 26 THR HB 3.970 . 3.970 3.736 3.671 3.814 . 0 0 "[ . 1 . 2]" 1
442 1 26 THR H 1 27 PRO QD 5.060 . 5.060 4.454 4.410 4.498 . 0 0 "[ . 1 . 2]" 1
443 1 26 THR H 1 29 GLY H 5.030 . 5.030 4.498 4.207 4.839 . 0 0 "[ . 1 . 2]" 1
444 1 26 THR H 1 29 GLY HA3 4.650 . 4.650 4.218 3.819 4.541 . 0 0 "[ . 1 . 2]" 1
445 1 26 THR H 1 30 LEU H 4.850 . 4.850 4.271 3.844 4.522 . 0 0 "[ . 1 . 2]" 1
446 1 26 THR H 1 68 ILE MD 4.950 . 4.950 4.846 4.587 5.001 0.051 8 0 "[ . 1 . 2]" 1
447 1 26 THR HA 1 26 THR MG 3.650 . 3.650 2.373 2.339 2.403 . 0 0 "[ . 1 . 2]" 1
448 1 26 THR HA 1 28 THR H 5.060 . 5.060 4.714 4.499 4.911 . 0 0 "[ . 1 . 2]" 1
449 1 26 THR HB 1 27 PRO QB 5.030 . 5.030 4.808 4.694 4.879 . 0 0 "[ . 1 . 2]" 1
450 1 26 THR HB 1 27 PRO HD2 4.080 . 4.080 2.551 2.386 2.676 . 0 0 "[ . 1 . 2]" 1
451 1 26 THR HB 1 27 PRO QD 3.560 . 3.560 2.527 2.367 2.646 . 0 0 "[ . 1 . 2]" 1
452 1 26 THR HB 1 27 PRO HD3 4.080 . 4.080 4.082 3.932 4.171 0.091 13 0 "[ . 1 . 2]" 1
453 1 26 THR HB 1 27 PRO HG2 4.330 . 4.330 3.536 3.387 3.678 . 0 0 "[ . 1 . 2]" 1
454 1 26 THR HB 1 27 PRO HG3 5.200 . 5.200 4.776 4.648 4.918 . 0 0 "[ . 1 . 2]" 1
455 1 26 THR HB 1 28 THR H 4.130 . 4.130 3.284 3.063 3.459 . 0 0 "[ . 1 . 2]" 1
456 1 26 THR HB 1 29 GLY H 4.490 . 4.490 3.002 2.759 3.321 . 0 0 "[ . 1 . 2]" 1
457 1 26 THR MG 1 27 PRO HG2 4.420 . 4.420 4.629 4.552 4.676 0.256 4 0 "[ . 1 . 2]" 1
458 1 26 THR MG 1 28 THR H 4.920 . 4.920 4.793 4.624 4.934 0.014 18 0 "[ . 1 . 2]" 1
459 1 27 PRO HA 1 30 LEU H 4.670 . 4.670 3.867 3.704 4.022 . 0 0 "[ . 1 . 2]" 1
460 1 27 PRO HA 1 30 LEU HB2 5.240 . 5.240 3.415 2.911 4.167 . 0 0 "[ . 1 . 2]" 1
461 1 27 PRO HA 1 30 LEU HB3 4.540 . 4.540 3.590 2.971 4.086 . 0 0 "[ . 1 . 2]" 1
462 1 27 PRO HA 1 30 LEU QD 5.710 . 5.710 3.665 3.328 3.933 . 0 0 "[ . 1 . 2]" 1
463 1 27 PRO HA 1 31 GLU H 5.460 . 5.460 4.209 3.903 4.556 . 0 0 "[ . 1 . 2]" 1
464 1 27 PRO HA 1 38 VAL HB 4.300 . 4.300 3.593 2.769 4.376 0.076 7 0 "[ . 1 . 2]" 1
465 1 27 PRO HA 1 38 VAL QG 3.650 . 3.650 2.066 1.871 2.363 . 0 0 "[ . 1 . 2]" 1
466 1 27 PRO HA 1 45 VAL QG 4.460 . 4.460 3.350 2.713 3.749 . 0 0 "[ . 1 . 2]" 1
467 1 27 PRO QB 1 28 THR H 3.550 . 3.550 2.539 2.427 2.697 . 0 0 "[ . 1 . 2]" 1
468 1 27 PRO QB 1 28 THR MG 4.800 . 4.800 3.756 3.036 4.366 . 0 0 "[ . 1 . 2]" 1
469 1 27 PRO QB 1 29 GLY H 5.240 . 5.240 4.856 4.703 5.091 . 0 0 "[ . 1 . 2]" 1
470 1 27 PRO QB 1 30 LEU H 5.780 . 5.780 5.142 4.991 5.330 . 0 0 "[ . 1 . 2]" 1
471 1 27 PRO QB 1 30 LEU HB2 5.780 . 5.780 5.192 4.746 5.848 0.068 4 0 "[ . 1 . 2]" 1
472 1 27 PRO QB 1 30 LEU HB3 5.780 . 5.780 5.217 4.711 5.603 . 0 0 "[ . 1 . 2]" 1
473 1 27 PRO QB 1 30 LEU QD 5.240 . 5.240 4.877 4.571 5.126 . 0 0 "[ . 1 . 2]" 1
474 1 27 PRO QB 1 38 VAL QG 3.770 . 3.770 2.664 2.464 2.834 . 0 0 "[ . 1 . 2]" 1
475 1 27 PRO QB 1 39 VAL HA 5.450 . 5.450 3.497 2.939 4.136 . 0 0 "[ . 1 . 2]" 1
476 1 27 PRO QB 1 40 SER QB 4.560 . 4.560 2.369 1.963 2.797 . 0 0 "[ . 1 . 2]" 1
477 1 27 PRO QD 1 28 THR H 4.470 . 4.470 3.368 3.162 3.507 . 0 0 "[ . 1 . 2]" 1
478 1 27 PRO HD2 1 28 THR MG 5.480 . 5.480 4.121 3.556 4.736 . 0 0 "[ . 1 . 2]" 1
479 1 27 PRO HD3 1 28 THR MG 5.480 . 5.480 5.198 4.915 5.491 0.011 14 0 "[ . 1 . 2]" 1
480 1 27 PRO HG2 1 38 VAL QG 4.960 . 4.960 4.901 4.744 5.043 0.083 1 0 "[ . 1 . 2]" 1
481 1 27 PRO HG2 1 40 SER QB 4.830 . 4.830 4.109 3.747 4.859 0.029 18 0 "[ . 1 . 2]" 1
482 1 27 PRO HG3 1 28 THR H 4.460 . 4.460 3.707 3.584 3.805 . 0 0 "[ . 1 . 2]" 1
483 1 27 PRO HG3 1 28 THR MG 4.950 . 4.950 4.467 3.989 4.993 0.043 2 0 "[ . 1 . 2]" 1
484 1 27 PRO HG3 1 38 VAL QG 4.810 . 4.810 4.767 4.551 4.951 0.141 18 0 "[ . 1 . 2]" 1
485 1 27 PRO HG3 1 40 SER QB 4.040 . 4.040 2.728 2.323 3.741 . 0 0 "[ . 1 . 2]" 1
486 1 28 THR H 1 28 THR HB 3.890 . 3.890 3.006 2.509 3.650 . 0 0 "[ . 1 . 2]" 1
487 1 28 THR H 1 28 THR MG 3.730 . 3.730 2.088 1.990 2.190 . 0 0 "[ . 1 . 2]" 1
488 1 28 THR H 1 29 GLY H 3.970 . 3.970 2.911 2.772 3.034 . 0 0 "[ . 1 . 2]" 1
489 1 28 THR H 1 30 LEU H 5.780 . 5.780 4.410 4.292 4.655 . 0 0 "[ . 1 . 2]" 1
490 1 28 THR HA 1 28 THR MG 3.590 . 3.590 2.920 2.390 3.271 . 0 0 "[ . 1 . 2]" 1
491 1 28 THR HA 1 31 GLU H 4.530 . 4.530 3.927 3.432 4.263 . 0 0 "[ . 1 . 2]" 1
492 1 28 THR HA 1 31 GLU QG 3.740 . 3.740 2.523 2.046 3.675 . 0 0 "[ . 1 . 2]" 1
493 1 28 THR HB 1 29 GLY H 4.510 . 4.510 3.944 3.483 4.185 . 0 0 "[ . 1 . 2]" 1
494 1 28 THR MG 1 29 GLY H 4.240 . 4.240 2.916 2.017 4.043 . 0 0 "[ . 1 . 2]" 1
495 1 29 GLY H 1 30 LEU H 3.830 . 3.830 2.626 2.535 2.778 . 0 0 "[ . 1 . 2]" 1
496 1 30 LEU H 1 30 LEU HB2 4.190 . 4.190 2.196 2.070 2.499 . 0 0 "[ . 1 . 2]" 1
497 1 30 LEU H 1 30 LEU HB3 3.840 . 3.840 2.993 2.478 3.379 . 0 0 "[ . 1 . 2]" 1
498 1 30 LEU H 1 30 LEU MD1 4.600 . 4.600 4.106 3.965 4.211 . 0 0 "[ . 1 . 2]" 1
499 1 30 LEU H 1 30 LEU QD 4.030 . 4.030 3.738 3.605 3.823 . 0 0 "[ . 1 . 2]" 1
500 1 30 LEU H 1 30 LEU MD2 4.600 . 4.600 4.304 4.142 4.401 . 0 0 "[ . 1 . 2]" 1
501 1 30 LEU H 1 31 GLU H 3.900 . 3.900 2.781 2.613 2.920 . 0 0 "[ . 1 . 2]" 1
502 1 30 LEU H 1 31 GLU QG 5.610 . 5.610 4.048 3.764 4.431 . 0 0 "[ . 1 . 2]" 1
503 1 30 LEU H 1 32 ASP H 4.750 . 4.750 4.054 3.922 4.274 . 0 0 "[ . 1 . 2]" 1
504 1 30 LEU H 1 33 TRP HD1 5.780 . 5.780 5.209 4.856 5.526 . 0 0 "[ . 1 . 2]" 1
505 1 30 LEU H 1 38 VAL MG1 5.690 . 5.690 4.776 4.045 5.416 . 0 0 "[ . 1 . 2]" 1
506 1 30 LEU H 1 38 VAL QG 4.870 . 4.870 3.849 3.449 4.334 . 0 0 "[ . 1 . 2]" 1
507 1 30 LEU H 1 38 VAL MG2 5.690 . 5.690 4.227 3.510 4.992 . 0 0 "[ . 1 . 2]" 1
508 1 30 LEU HA 1 30 LEU QD 3.410 . 3.410 2.252 2.049 2.747 . 0 0 "[ . 1 . 2]" 1
509 1 30 LEU HA 1 32 ASP H 5.780 . 5.780 4.027 3.812 4.134 . 0 0 "[ . 1 . 2]" 1
510 1 30 LEU HA 1 32 ASP QB 5.780 . 5.780 4.548 4.236 4.906 . 0 0 "[ . 1 . 2]" 1
511 1 30 LEU HA 1 33 TRP H 4.580 . 4.580 4.181 4.002 4.626 0.046 10 0 "[ . 1 . 2]" 1
512 1 30 LEU HA 1 33 TRP HD1 4.320 . 4.320 3.502 2.841 3.821 . 0 0 "[ . 1 . 2]" 1
513 1 30 LEU HA 1 33 TRP HE1 3.860 . 3.860 2.811 2.276 3.198 . 0 0 "[ . 1 . 2]" 1
514 1 30 LEU HA 1 34 PHE H 5.780 . 5.780 4.660 4.202 5.567 . 0 0 "[ . 1 . 2]" 1
515 1 30 LEU HA 1 34 PHE HB3 5.180 . 5.180 3.993 3.627 4.597 . 0 0 "[ . 1 . 2]" 1
516 1 30 LEU HA 1 38 VAL MG1 5.780 . 5.780 5.018 4.639 5.561 . 0 0 "[ . 1 . 2]" 1
517 1 30 LEU HA 1 38 VAL QG 5.080 . 5.080 4.156 3.928 4.499 . 0 0 "[ . 1 . 2]" 1
518 1 30 LEU HA 1 38 VAL MG2 5.780 . 5.780 4.445 4.198 4.851 . 0 0 "[ . 1 . 2]" 1
519 1 30 LEU HB2 1 31 GLU H 5.320 . 5.320 3.418 3.075 3.814 . 0 0 "[ . 1 . 2]" 1
520 1 30 LEU HB2 1 34 PHE HB3 5.780 . 5.780 5.285 4.682 5.769 . 0 0 "[ . 1 . 2]" 1
521 1 30 LEU HB2 1 38 VAL QG 4.000 . 4.000 2.900 2.379 3.586 . 0 0 "[ . 1 . 2]" 1
522 1 30 LEU HB2 1 45 VAL MG1 5.780 . 5.780 4.049 3.501 4.587 . 0 0 "[ . 1 . 2]" 1
523 1 30 LEU HB2 1 45 VAL MG2 5.780 . 5.780 5.021 4.129 5.773 . 0 0 "[ . 1 . 2]" 1
524 1 30 LEU HB3 1 31 GLU HB2 5.780 . 5.780 5.443 4.840 5.618 . 0 0 "[ . 1 . 2]" 1
525 1 30 LEU HB3 1 31 GLU QB 4.950 . 4.950 4.101 3.724 4.964 0.014 9 0 "[ . 1 . 2]" 1
526 1 30 LEU HB3 1 31 GLU HB3 5.780 . 5.780 4.348 3.806 5.899 0.119 9 0 "[ . 1 . 2]" 1
527 1 30 LEU HB3 1 31 GLU QG 5.610 . 5.610 4.208 3.221 4.754 . 0 0 "[ . 1 . 2]" 1
528 1 30 LEU HB3 1 34 PHE HB2 5.400 . 5.400 5.399 4.614 5.678 0.278 4 0 "[ . 1 . 2]" 1
529 1 30 LEU HB3 1 34 PHE HB3 4.420 . 4.420 4.170 3.706 4.517 0.097 18 0 "[ . 1 . 2]" 1
530 1 30 LEU HB3 1 38 VAL MG1 3.690 . 3.690 2.663 2.178 3.305 . 0 0 "[ . 1 . 2]" 1
531 1 30 LEU HB3 1 38 VAL MG2 3.690 . 3.690 2.051 1.670 2.972 . 0 0 "[ . 1 . 2]" 1
532 1 30 LEU HB3 1 45 VAL QG 5.520 . 5.520 3.814 3.149 4.288 . 0 0 "[ . 1 . 2]" 1
533 1 30 LEU HB3 1 47 PHE QE 5.130 . 5.130 4.343 3.565 5.181 0.051 7 0 "[ . 1 . 2]" 1
534 1 30 LEU QD 1 31 GLU HA 5.710 . 5.710 4.137 3.589 4.684 . 0 0 "[ . 1 . 2]" 1
535 1 30 LEU QD 1 33 TRP HD1 4.900 . 4.900 4.418 3.937 4.699 . 0 0 "[ . 1 . 2]" 1
536 1 30 LEU QD 1 33 TRP HE1 3.760 . 3.760 3.761 3.455 3.878 0.118 2 0 "[ . 1 . 2]" 1
537 1 30 LEU QD 1 34 PHE H 5.710 . 5.710 4.057 3.564 4.405 . 0 0 "[ . 1 . 2]" 1
538 1 30 LEU QD 1 34 PHE HA 4.760 . 4.760 4.435 4.280 4.586 . 0 0 "[ . 1 . 2]" 1
539 1 30 LEU QD 1 34 PHE HB2 4.240 . 4.240 2.598 2.283 3.006 . 0 0 "[ . 1 . 2]" 1
540 1 30 LEU QD 1 34 PHE QE 5.180 . 5.180 3.608 3.229 3.844 . 0 0 "[ . 1 . 2]" 1
541 1 30 LEU QD 1 38 VAL QG 4.700 . 4.700 2.038 1.655 2.503 . 0 0 "[ . 1 . 2]" 1
542 1 30 LEU QD 1 45 VAL QG 3.840 . 3.840 1.981 1.585 2.435 . 0 0 "[ . 1 . 2]" 1
543 1 30 LEU QD 1 47 PHE QD 5.710 . 5.710 2.868 2.517 3.486 . 0 0 "[ . 1 . 2]" 1
544 1 30 LEU QD 1 47 PHE QE 4.270 . 4.270 1.842 1.574 2.055 . 0 0 "[ . 1 . 2]" 1
545 1 31 GLU H 1 31 GLU HB2 3.970 . 3.970 3.474 2.461 3.702 . 0 0 "[ . 1 . 2]" 1
546 1 31 GLU H 1 31 GLU QB 3.370 . 3.370 2.566 2.422 2.695 . 0 0 "[ . 1 . 2]" 1
547 1 31 GLU H 1 31 GLU HB3 3.970 . 3.970 2.791 2.541 3.618 . 0 0 "[ . 1 . 2]" 1
548 1 31 GLU H 1 31 GLU HG2 3.960 . 3.960 2.475 1.954 3.595 . 0 0 "[ . 1 . 2]" 1
549 1 31 GLU H 1 31 GLU QG 3.310 . 3.310 2.119 1.936 2.273 . 0 0 "[ . 1 . 2]" 1
550 1 31 GLU H 1 31 GLU HG3 3.960 . 3.960 3.028 2.006 3.536 . 0 0 "[ . 1 . 2]" 1
551 1 31 GLU H 1 38 VAL QG 5.190 . 5.190 2.797 2.267 3.145 . 0 0 "[ . 1 . 2]" 1
552 1 31 GLU HA 1 31 GLU QG 3.840 . 3.840 3.260 2.440 3.522 . 0 0 "[ . 1 . 2]" 1
553 1 31 GLU HA 1 33 TRP H 4.970 . 4.970 3.749 3.469 4.177 . 0 0 "[ . 1 . 2]" 1
554 1 31 GLU QB 1 34 PHE H 5.300 . 5.300 4.819 4.404 5.370 0.070 9 0 "[ . 1 . 2]" 1
555 1 31 GLU QB 1 37 LYS HA 4.770 . 4.770 2.492 1.785 3.632 . 0 0 "[ . 1 . 2]" 1
556 1 31 GLU QB 1 38 VAL H 4.650 . 4.650 2.395 1.683 3.911 . 0 0 "[ . 1 . 2]" 1
557 1 31 GLU QB 1 38 VAL QG 3.850 . 3.850 2.240 1.679 3.567 . 0 0 "[ . 1 . 2]" 1
558 1 31 GLU QG 1 37 LYS HA 4.090 . 4.090 3.590 1.935 4.202 0.112 17 0 "[ . 1 . 2]" 1
559 1 31 GLU QG 1 38 VAL H 3.820 . 3.820 3.166 1.668 3.765 . 0 0 "[ . 1 . 2]" 1
560 1 31 GLU QG 1 38 VAL QG 3.900 . 3.900 3.037 1.685 3.925 0.025 5 0 "[ . 1 . 2]" 1
561 1 31 GLU HG2 1 38 VAL H 4.570 . 4.570 3.340 1.685 4.029 . 0 0 "[ . 1 . 2]" 1
562 1 31 GLU HG3 1 38 VAL H 4.570 . 4.570 4.045 2.676 4.558 . 0 0 "[ . 1 . 2]" 1
563 1 32 ASP H 1 32 ASP QB 3.370 . 3.370 2.241 2.186 2.407 . 0 0 "[ . 1 . 2]" 1
564 1 32 ASP H 1 33 TRP H 3.590 . 3.590 2.728 2.493 2.888 . 0 0 "[ . 1 . 2]" 1
565 1 32 ASP H 1 33 TRP HD1 4.650 . 4.650 3.307 2.780 3.581 . 0 0 "[ . 1 . 2]" 1
566 1 32 ASP QB 1 33 TRP H 4.070 . 4.070 2.919 2.677 3.191 . 0 0 "[ . 1 . 2]" 1
567 1 32 ASP QB 1 33 TRP HD1 3.990 . 3.990 2.310 1.817 3.355 . 0 0 "[ . 1 . 2]" 1
568 1 33 TRP H 1 33 TRP HD1 3.740 . 3.740 2.131 1.941 2.419 . 0 0 "[ . 1 . 2]" 1
569 1 33 TRP H 1 34 PHE HB2 4.760 . 4.760 4.286 3.996 4.630 . 0 0 "[ . 1 . 2]" 1
570 1 33 TRP H 1 34 PHE HB3 4.640 . 4.640 4.166 3.997 4.337 . 0 0 "[ . 1 . 2]" 1
571 1 33 TRP HA 1 34 PHE HA 4.790 . 4.790 4.532 4.365 4.740 . 0 0 "[ . 1 . 2]" 1
572 1 33 TRP HD1 1 34 PHE HB2 5.780 . 5.780 4.776 3.876 5.173 . 0 0 "[ . 1 . 2]" 1
573 1 33 TRP HD1 1 34 PHE HB3 5.530 . 5.530 5.063 4.286 5.472 . 0 0 "[ . 1 . 2]" 1
574 1 33 TRP HE1 1 34 PHE HB2 5.200 . 5.200 4.935 4.138 5.255 0.055 17 0 "[ . 1 . 2]" 1
575 1 34 PHE H 1 34 PHE HB2 4.030 . 4.030 3.126 2.641 3.443 . 0 0 "[ . 1 . 2]" 1
576 1 34 PHE H 1 34 PHE HB3 3.960 . 3.960 2.820 2.459 3.084 . 0 0 "[ . 1 . 2]" 1
577 1 34 PHE H 1 35 ALA HA 5.780 . 5.780 5.363 4.670 5.812 0.032 1 0 "[ . 1 . 2]" 1
578 1 34 PHE H 1 35 ALA MB 5.120 . 5.120 4.689 4.474 4.903 . 0 0 "[ . 1 . 2]" 1
579 1 34 PHE H 1 38 VAL QG 5.710 . 5.710 4.635 4.232 5.046 . 0 0 "[ . 1 . 2]" 1
580 1 34 PHE HA 1 34 PHE QD 4.370 . 4.370 2.747 2.535 3.110 . 0 0 "[ . 1 . 2]" 1
581 1 34 PHE HB2 1 35 ALA H 4.770 . 4.770 3.995 3.558 4.543 . 0 0 "[ . 1 . 2]" 1
582 1 34 PHE HB3 1 35 ALA H 4.440 . 4.440 3.142 2.014 4.334 . 0 0 "[ . 1 . 2]" 1
583 1 34 PHE HB3 1 35 ALA MB 4.140 . 4.140 3.801 3.481 4.138 . 0 0 "[ . 1 . 2]" 1
584 1 34 PHE QD 1 35 ALA MB 3.680 . 3.680 2.677 2.205 3.375 . 0 0 "[ . 1 . 2]" 1
585 1 34 PHE QD 1 47 PHE QD 4.450 . 4.450 2.847 2.275 3.692 . 0 0 "[ . 1 . 2]" 1
586 1 34 PHE QD 1 47 PHE QE 4.570 . 4.570 3.592 2.425 4.113 . 0 0 "[ . 1 . 2]" 1
587 1 34 PHE QE 1 35 ALA H 5.340 . 5.340 4.844 4.283 5.420 0.080 8 0 "[ . 1 . 2]" 1
588 1 34 PHE QE 1 38 VAL QG 5.700 . 5.700 4.090 3.582 4.853 . 0 0 "[ . 1 . 2]" 1
589 1 34 PHE QE 1 47 PHE QD 5.050 . 5.050 2.968 2.513 3.636 . 0 0 "[ . 1 . 2]" 1
590 1 34 PHE QE 1 47 PHE QE 3.430 . 3.430 3.465 2.989 3.612 0.182 15 0 "[ . 1 . 2]" 1
591 1 34 PHE QE 1 49 TRP HH2 4.780 . 4.780 3.802 2.534 4.846 0.066 1 0 "[ . 1 . 2]" 1
592 1 34 PHE QE 1 49 TRP HZ2 4.490 . 4.490 3.153 2.443 4.065 . 0 0 "[ . 1 . 2]" 1
593 1 34 PHE QE 1 57 ALA MB 5.780 . 5.780 5.536 4.943 5.891 0.111 9 0 "[ . 1 . 2]" 1
594 1 35 ALA H 1 35 ALA MB 3.660 . 3.660 2.693 2.356 2.991 . 0 0 "[ . 1 . 2]" 1
595 1 35 ALA HA 1 36 ASP H 3.580 . 3.580 2.504 2.276 2.664 . 0 0 "[ . 1 . 2]" 1
596 1 35 ALA HA 1 49 TRP HD1 4.400 . 4.400 3.264 2.489 4.200 . 0 0 "[ . 1 . 2]" 1
597 1 35 ALA HA 1 49 TRP HE1 3.430 . 3.430 2.536 1.798 3.526 0.096 17 0 "[ . 1 . 2]" 1
598 1 35 ALA MB 1 36 ASP H 3.180 . 3.180 2.280 2.060 2.825 . 0 0 "[ . 1 . 2]" 1
599 1 35 ALA MB 1 36 ASP HA 4.850 . 4.850 4.333 4.205 4.473 . 0 0 "[ . 1 . 2]" 1
600 1 35 ALA MB 1 36 ASP QB 4.560 . 4.560 3.850 3.634 4.146 . 0 0 "[ . 1 . 2]" 1
601 1 35 ALA MB 1 37 LYS H 4.010 . 4.010 2.904 2.622 3.168 . 0 0 "[ . 1 . 2]" 1
602 1 35 ALA MB 1 38 VAL QG 3.720 . 3.720 2.197 1.888 2.866 . 0 0 "[ . 1 . 2]" 1
603 1 35 ALA MB 1 47 PHE HA 5.080 . 5.080 3.413 2.859 4.238 . 0 0 "[ . 1 . 2]" 1
604 1 35 ALA MB 1 47 PHE HB2 4.850 . 4.850 3.806 3.283 4.469 . 0 0 "[ . 1 . 2]" 1
605 1 35 ALA MB 1 47 PHE QD 3.940 . 3.940 3.213 2.225 3.623 . 0 0 "[ . 1 . 2]" 1
606 1 35 ALA MB 1 47 PHE QE 5.030 . 5.030 4.852 3.784 5.188 0.158 14 0 "[ . 1 . 2]" 1
607 1 35 ALA MB 1 48 CYS H 4.000 . 4.000 3.397 2.382 4.127 0.127 17 0 "[ . 1 . 2]" 1
608 1 35 ALA MB 1 49 TRP QB 5.480 . 5.480 4.519 3.576 5.013 . 0 0 "[ . 1 . 2]" 1
609 1 35 ALA MB 1 49 TRP HD1 4.350 . 4.350 3.524 2.588 4.296 . 0 0 "[ . 1 . 2]" 1
610 1 35 ALA MB 1 49 TRP HE1 3.850 . 3.850 2.826 2.405 3.598 . 0 0 "[ . 1 . 2]" 1
611 1 35 ALA MB 1 49 TRP HZ2 4.220 . 4.220 3.305 2.629 3.758 . 0 0 "[ . 1 . 2]" 1
612 1 36 ASP H 1 36 ASP QB 3.630 . 3.630 2.444 2.245 2.524 . 0 0 "[ . 1 . 2]" 1
613 1 36 ASP H 1 37 LYS H 3.540 . 3.540 2.685 2.390 2.909 . 0 0 "[ . 1 . 2]" 1
614 1 36 ASP H 1 49 TRP HE1 4.670 . 4.670 4.049 2.953 4.693 0.023 2 0 "[ . 1 . 2]" 1
615 1 36 ASP QB 1 37 LYS H 3.620 . 3.620 2.372 2.102 2.767 . 0 0 "[ . 1 . 2]" 1
616 1 36 ASP QB 1 37 LYS HB2 4.140 . 4.140 3.600 3.421 3.825 . 0 0 "[ . 1 . 2]" 1
617 1 36 ASP QB 1 37 LYS HB3 4.830 . 4.830 3.875 3.519 4.356 . 0 0 "[ . 1 . 2]" 1
618 1 36 ASP QB 1 37 LYS HG2 5.780 . 5.780 5.680 5.473 5.929 0.149 19 0 "[ . 1 . 2]" 1
619 1 36 ASP QB 1 37 LYS QG 4.880 . 4.880 5.029 4.926 5.178 0.298 5 0 "[ . 1 . 2]" 1
620 1 36 ASP QB 1 37 LYS HG3 5.780 . 5.780 5.621 5.410 5.798 0.018 5 0 "[ . 1 . 2]" 1
621 1 37 LYS H 1 37 LYS HB2 4.170 . 4.170 3.266 3.060 3.470 . 0 0 "[ . 1 . 2]" 1
622 1 37 LYS H 1 37 LYS HB3 4.170 . 4.170 2.965 2.691 3.179 . 0 0 "[ . 1 . 2]" 1
623 1 37 LYS H 1 37 LYS QG 4.980 . 4.980 4.254 4.067 4.449 . 0 0 "[ . 1 . 2]" 1
624 1 37 LYS H 1 38 VAL H 4.830 . 4.830 4.248 4.099 4.382 . 0 0 "[ . 1 . 2]" 1
625 1 37 LYS H 1 38 VAL HA 5.090 . 5.090 4.724 4.565 4.913 . 0 0 "[ . 1 . 2]" 1
626 1 37 LYS H 1 38 VAL QG 4.980 . 4.980 3.904 3.655 4.127 . 0 0 "[ . 1 . 2]" 1
627 1 37 LYS H 1 47 PHE HB3 5.780 . 5.780 5.589 4.996 5.898 0.118 9 0 "[ . 1 . 2]" 1
628 1 37 LYS H 1 48 CYS H 4.250 . 4.250 3.709 3.166 4.247 . 0 0 "[ . 1 . 2]" 1
629 1 37 LYS HA 1 37 LYS QD 4.070 . 4.070 3.545 2.182 4.302 0.232 18 0 "[ . 1 . 2]" 1
630 1 37 LYS HA 1 37 LYS HG2 4.170 . 4.170 2.993 2.427 3.923 . 0 0 "[ . 1 . 2]" 1
631 1 37 LYS HA 1 37 LYS QG 3.530 . 3.530 2.516 2.356 3.200 . 0 0 "[ . 1 . 2]" 1
632 1 37 LYS HA 1 37 LYS HG3 4.170 . 4.170 3.042 2.431 3.712 . 0 0 "[ . 1 . 2]" 1
633 1 37 LYS HA 1 38 VAL H 3.230 . 3.230 2.237 2.138 2.312 . 0 0 "[ . 1 . 2]" 1
634 1 37 LYS HA 1 38 VAL QG 5.710 . 5.710 3.601 3.308 3.848 . 0 0 "[ . 1 . 2]" 1
635 1 37 LYS HB2 1 38 VAL H 5.080 . 5.080 4.254 4.029 4.465 . 0 0 "[ . 1 . 2]" 1
636 1 37 LYS HB2 1 39 VAL QG 5.350 . 5.350 5.071 4.647 5.525 0.175 14 0 "[ . 1 . 2]" 1
637 1 37 LYS HB3 1 38 VAL H 4.640 . 4.640 4.035 3.759 4.374 . 0 0 "[ . 1 . 2]" 1
638 1 37 LYS HB3 1 38 VAL HA 4.780 . 4.780 4.711 4.487 4.896 0.116 16 0 "[ . 1 . 2]" 1
639 1 37 LYS HB3 1 39 VAL QG 5.710 . 5.710 4.057 3.471 4.409 . 0 0 "[ . 1 . 2]" 1
640 1 37 LYS QD 1 38 VAL H 4.460 . 4.460 3.565 2.143 4.586 0.126 17 0 "[ . 1 . 2]" 1
641 1 37 LYS QD 1 39 VAL QG 4.340 . 4.340 2.742 2.119 4.343 0.003 13 0 "[ . 1 . 2]" 1
642 1 37 LYS QE 1 37 LYS QG 3.490 . 3.490 2.431 2.158 2.850 . 0 0 "[ . 1 . 2]" 1
643 1 37 LYS QE 1 39 VAL QG 3.840 . 3.840 2.912 1.932 3.982 0.142 15 0 "[ . 1 . 2]" 1
644 1 37 LYS QG 1 38 VAL H 3.970 . 3.970 2.798 2.187 3.529 . 0 0 "[ . 1 . 2]" 1
645 1 37 LYS QG 1 39 VAL QG 4.230 . 4.230 3.146 2.097 4.131 . 0 0 "[ . 1 . 2]" 1
646 1 37 LYS HG2 1 38 VAL H 4.690 . 4.690 3.187 2.232 4.763 0.073 16 0 "[ . 1 . 2]" 1
647 1 37 LYS HG3 1 38 VAL H 4.690 . 4.690 3.531 2.380 4.764 0.074 7 0 "[ . 1 . 2]" 1
648 1 38 VAL H 1 38 VAL HB 4.180 . 4.180 3.209 2.563 3.922 . 0 0 "[ . 1 . 2]" 1
649 1 38 VAL H 1 38 VAL QG 3.700 . 3.700 2.596 2.134 3.014 . 0 0 "[ . 1 . 2]" 1
650 1 38 VAL HA 1 38 VAL MG1 3.570 . 3.570 2.496 2.436 2.558 . 0 0 "[ . 1 . 2]" 1
651 1 38 VAL HA 1 38 VAL MG2 3.570 . 3.570 2.795 2.382 3.282 . 0 0 "[ . 1 . 2]" 1
652 1 38 VAL HA 1 39 VAL H 3.320 . 3.320 2.150 2.108 2.187 . 0 0 "[ . 1 . 2]" 1
653 1 38 VAL HA 1 45 VAL QG 4.390 . 4.390 4.077 3.731 4.398 0.008 20 0 "[ . 1 . 2]" 1
654 1 38 VAL HA 1 47 PHE HB3 5.060 . 5.060 4.677 4.340 4.951 . 0 0 "[ . 1 . 2]" 1
655 1 38 VAL HA 1 47 PHE QD 4.360 . 4.360 4.169 3.027 4.459 0.099 10 0 "[ . 1 . 2]" 1
656 1 38 VAL HB 1 45 VAL QG 5.710 . 5.710 3.309 2.013 4.400 . 0 0 "[ . 1 . 2]" 1
657 1 38 VAL HB 1 47 PHE QE 5.780 . 5.780 5.018 3.977 5.862 0.082 1 0 "[ . 1 . 2]" 1
658 1 38 VAL QG 1 39 VAL H 4.360 . 4.360 3.321 2.949 3.678 . 0 0 "[ . 1 . 2]" 1
659 1 38 VAL QG 1 39 VAL HA 4.990 . 4.990 3.913 3.704 4.106 . 0 0 "[ . 1 . 2]" 1
660 1 38 VAL QG 1 39 VAL QG 4.790 . 4.790 4.106 3.927 4.251 . 0 0 "[ . 1 . 2]" 1
661 1 38 VAL QG 1 40 SER QB 4.600 . 4.600 3.549 2.677 4.247 . 0 0 "[ . 1 . 2]" 1
662 1 38 VAL QG 1 45 VAL QG 3.270 . 3.270 2.142 1.928 2.431 . 0 0 "[ . 1 . 2]" 1
663 1 38 VAL QG 1 47 PHE HA 3.860 . 3.860 2.220 1.762 3.122 . 0 0 "[ . 1 . 2]" 1
664 1 38 VAL QG 1 47 PHE QD 3.440 . 3.440 1.946 1.609 2.121 . 0 0 "[ . 1 . 2]" 1
665 1 38 VAL QG 1 47 PHE QE 3.560 . 3.560 3.092 2.318 3.481 . 0 0 "[ . 1 . 2]" 1
666 1 38 VAL QG 1 48 CYS H 4.670 . 4.670 3.326 2.899 4.327 . 0 0 "[ . 1 . 2]" 1
667 1 38 VAL MG1 1 47 PHE QE 4.620 . 4.620 3.398 2.466 3.952 . 0 0 "[ . 1 . 2]" 1
668 1 38 VAL MG2 1 47 PHE QE 4.620 . 4.620 3.757 2.820 4.453 . 0 0 "[ . 1 . 2]" 1
669 1 39 VAL H 1 39 VAL HB 3.830 . 3.830 2.568 2.494 2.669 . 0 0 "[ . 1 . 2]" 1
670 1 39 VAL H 1 39 VAL QG 3.530 . 3.530 2.334 2.184 2.473 . 0 0 "[ . 1 . 2]" 1
671 1 39 VAL H 1 45 VAL QG 4.830 . 4.830 4.252 3.672 4.719 . 0 0 "[ . 1 . 2]" 1
672 1 39 VAL H 1 46 THR H 4.110 . 4.110 3.890 3.309 4.237 0.127 1 0 "[ . 1 . 2]" 1
673 1 39 VAL H 1 46 THR HB 4.370 . 4.370 3.366 2.786 3.864 . 0 0 "[ . 1 . 2]" 1
674 1 39 VAL HA 1 39 VAL MG1 3.660 . 3.660 2.453 2.413 2.516 . 0 0 "[ . 1 . 2]" 1
675 1 39 VAL HA 1 39 VAL QG 3.130 . 3.130 2.205 2.194 2.215 . 0 0 "[ . 1 . 2]" 1
676 1 39 VAL HA 1 39 VAL MG2 3.660 . 3.660 2.500 2.440 2.558 . 0 0 "[ . 1 . 2]" 1
677 1 39 VAL HA 1 40 SER H 3.550 . 3.550 2.208 2.134 2.275 . 0 0 "[ . 1 . 2]" 1
678 1 39 VAL HB 1 40 SER H 4.960 . 4.960 4.270 3.957 4.364 . 0 0 "[ . 1 . 2]" 1
679 1 39 VAL HB 1 46 THR H 4.460 . 4.460 4.054 3.277 4.518 0.058 1 0 "[ . 1 . 2]" 1
680 1 39 VAL HB 1 46 THR HB 3.450 . 3.450 2.584 2.144 2.971 . 0 0 "[ . 1 . 2]" 1
681 1 39 VAL QG 1 40 SER H 4.160 . 4.160 2.879 2.405 3.068 . 0 0 "[ . 1 . 2]" 1
682 1 39 VAL QG 1 40 SER HA 5.010 . 5.010 3.955 3.512 4.188 . 0 0 "[ . 1 . 2]" 1
683 1 39 VAL QG 1 46 THR H 5.290 . 5.290 4.236 3.776 4.476 . 0 0 "[ . 1 . 2]" 1
684 1 39 VAL QG 1 46 THR HB 4.050 . 4.050 3.425 3.068 3.750 . 0 0 "[ . 1 . 2]" 1
685 1 40 SER HA 1 41 ASP H 3.240 . 3.240 2.203 2.104 2.380 . 0 0 "[ . 1 . 2]" 1
686 1 40 SER HA 1 41 ASP QB 4.680 . 4.680 4.187 3.713 4.563 . 0 0 "[ . 1 . 2]" 1
687 1 40 SER HA 1 45 VAL HA 3.480 . 3.480 2.335 1.868 3.158 . 0 0 "[ . 1 . 2]" 1
688 1 40 SER HA 1 45 VAL MG1 4.590 . 4.590 3.480 2.935 4.481 . 0 0 "[ . 1 . 2]" 1
689 1 40 SER HA 1 45 VAL QG 3.940 . 3.940 3.065 2.615 3.945 0.005 5 0 "[ . 1 . 2]" 1
690 1 40 SER HA 1 45 VAL MG2 4.590 . 4.590 3.430 2.934 4.380 . 0 0 "[ . 1 . 2]" 1
691 1 40 SER HA 1 46 THR H 4.390 . 4.390 3.025 2.463 3.891 . 0 0 "[ . 1 . 2]" 1
692 1 40 SER QB 1 41 ASP H 4.020 . 4.020 3.451 2.538 4.025 0.005 9 0 "[ . 1 . 2]" 1
693 1 40 SER QB 1 45 VAL HA 4.360 . 4.360 3.383 1.967 4.417 0.057 7 0 "[ . 1 . 2]" 1
694 1 40 SER QB 1 45 VAL MG1 4.010 . 4.010 3.105 2.107 4.077 0.067 4 0 "[ . 1 . 2]" 1
695 1 40 SER QB 1 45 VAL QG 3.480 . 3.480 2.618 2.007 3.485 0.005 11 0 "[ . 1 . 2]" 1
696 1 40 SER QB 1 45 VAL MG2 4.010 . 4.010 2.873 2.172 3.838 . 0 0 "[ . 1 . 2]" 1
697 1 41 ASP H 1 42 ASP H 4.450 . 4.450 2.936 2.126 4.399 . 0 0 "[ . 1 . 2]" 1
698 1 41 ASP H 1 42 ASP HA 5.010 . 5.010 4.783 4.169 5.100 0.090 16 0 "[ . 1 . 2]" 1
699 1 41 ASP H 1 44 THR H 4.200 . 4.200 3.715 3.121 4.227 0.027 9 0 "[ . 1 . 2]" 1
700 1 41 ASP H 1 45 VAL HA 4.410 . 4.410 3.383 2.764 4.486 0.076 5 0 "[ . 1 . 2]" 1
701 1 41 ASP H 1 45 VAL QG 4.910 . 4.910 4.004 3.519 4.638 . 0 0 "[ . 1 . 2]" 1
702 1 41 ASP HA 1 42 ASP QB 4.460 . 4.460 4.324 3.892 4.596 0.136 18 0 "[ . 1 . 2]" 1
703 1 41 ASP HB2 1 42 ASP H 4.810 . 4.810 3.573 2.019 4.656 . 0 0 "[ . 1 . 2]" 1
704 1 41 ASP HB3 1 42 ASP H 4.810 . 4.810 3.384 2.040 4.550 . 0 0 "[ . 1 . 2]" 1
705 1 42 ASP QB 1 43 LYS H 4.090 . 4.090 2.728 1.942 3.989 . 0 0 "[ . 1 . 2]" 1
706 1 42 ASP QB 1 43 LYS HA 5.780 . 5.780 4.684 4.281 5.612 . 0 0 "[ . 1 . 2]" 1
707 1 43 LYS H 1 43 LYS QB 3.680 . 3.680 2.884 2.412 3.523 . 0 0 "[ . 1 . 2]" 1
708 1 43 LYS H 1 43 LYS QG 3.990 . 3.990 2.563 1.891 3.914 . 0 0 "[ . 1 . 2]" 1
709 1 43 LYS H 1 44 THR H 3.480 . 3.480 2.520 1.856 3.528 0.048 6 0 "[ . 1 . 2]" 1
710 1 43 LYS H 1 59 ILE MD 4.740 . 4.740 4.472 3.175 4.844 0.104 13 0 "[ . 1 . 2]" 1
711 1 43 LYS HA 1 43 LYS QD 4.710 . 4.710 4.308 4.044 4.590 . 0 0 "[ . 1 . 2]" 1
712 1 43 LYS HA 1 43 LYS HG2 4.130 . 4.130 3.380 2.549 3.927 . 0 0 "[ . 1 . 2]" 1
713 1 43 LYS HA 1 43 LYS QG 3.620 . 3.620 3.072 2.417 3.428 . 0 0 "[ . 1 . 2]" 1
714 1 43 LYS HA 1 43 LYS HG3 4.130 . 4.130 3.573 3.002 3.937 . 0 0 "[ . 1 . 2]" 1
715 1 43 LYS HA 1 59 ILE MD 3.840 . 3.840 2.920 2.348 3.896 0.056 5 0 "[ . 1 . 2]" 1
716 1 43 LYS QB 1 44 THR H 4.230 . 4.230 3.604 2.550 4.098 . 0 0 "[ . 1 . 2]" 1
717 1 43 LYS QE 1 43 LYS QG 3.140 . 3.140 2.371 2.161 2.773 . 0 0 "[ . 1 . 2]" 1
718 1 44 THR H 1 44 THR HB 3.720 . 3.720 2.775 2.529 2.968 . 0 0 "[ . 1 . 2]" 1
719 1 44 THR H 1 44 THR MG 4.330 . 4.330 3.950 3.845 4.033 . 0 0 "[ . 1 . 2]" 1
720 1 44 THR H 1 45 VAL HA 5.780 . 5.780 4.939 4.667 5.430 . 0 0 "[ . 1 . 2]" 1
721 1 44 THR HA 1 44 THR MG 3.380 . 3.380 2.467 2.406 2.565 . 0 0 "[ . 1 . 2]" 1
722 1 44 THR HA 1 45 VAL H 3.240 . 3.240 2.222 2.155 2.387 . 0 0 "[ . 1 . 2]" 1
723 1 44 THR HA 1 45 VAL QG 4.580 . 4.580 3.571 3.388 3.946 . 0 0 "[ . 1 . 2]" 1
724 1 44 THR HA 1 58 GLY QA 4.410 . 4.410 2.155 1.653 2.736 . 0 0 "[ . 1 . 2]" 1
725 1 44 THR HA 1 59 ILE H 4.240 . 4.240 3.468 2.803 4.273 0.033 3 0 "[ . 1 . 2]" 1
726 1 44 THR HA 1 59 ILE MD 4.850 . 4.850 3.188 2.541 4.043 . 0 0 "[ . 1 . 2]" 1
727 1 44 THR HB 1 45 VAL H 4.120 . 4.120 4.092 3.771 4.225 0.105 18 0 "[ . 1 . 2]" 1
728 1 44 THR HB 1 56 GLN HB3 4.780 . 4.780 4.682 4.349 4.868 0.088 3 0 "[ . 1 . 2]" 1
729 1 44 THR HB 1 57 ALA H 5.610 . 5.610 5.551 5.041 5.724 0.114 5 0 "[ . 1 . 2]" 1
730 1 44 THR MG 1 45 VAL H 3.610 . 3.610 2.558 2.146 2.834 . 0 0 "[ . 1 . 2]" 1
731 1 44 THR MG 1 45 VAL HA 4.050 . 4.050 3.754 3.499 4.066 0.016 8 0 "[ . 1 . 2]" 1
732 1 44 THR MG 1 45 VAL MG1 5.180 . 5.180 4.825 4.690 5.118 . 0 0 "[ . 1 . 2]" 1
733 1 44 THR MG 1 45 VAL QG 4.210 . 4.210 4.041 3.924 4.178 . 0 0 "[ . 1 . 2]" 1
734 1 44 THR MG 1 45 VAL MG2 5.180 . 5.180 4.338 4.186 4.516 . 0 0 "[ . 1 . 2]" 1
735 1 44 THR MG 1 56 GLN HA 4.710 . 4.710 3.339 2.946 3.663 . 0 0 "[ . 1 . 2]" 1
736 1 44 THR MG 1 56 GLN HB2 4.560 . 4.560 3.381 3.201 3.721 . 0 0 "[ . 1 . 2]" 1
737 1 44 THR MG 1 56 GLN HB3 3.530 . 3.530 2.087 1.942 2.267 . 0 0 "[ . 1 . 2]" 1
738 1 44 THR MG 1 56 GLN HE21 4.510 . 4.510 3.168 2.135 4.466 . 0 0 "[ . 1 . 2]" 1
739 1 44 THR MG 1 56 GLN QE 3.970 . 3.970 2.903 2.069 3.840 . 0 0 "[ . 1 . 2]" 1
740 1 44 THR MG 1 56 GLN HE22 4.510 . 4.510 3.498 2.724 4.278 . 0 0 "[ . 1 . 2]" 1
741 1 44 THR MG 1 56 GLN QG 4.070 . 4.070 3.236 2.720 3.638 . 0 0 "[ . 1 . 2]" 1
742 1 44 THR MG 1 57 ALA H 4.410 . 4.410 2.782 2.338 3.019 . 0 0 "[ . 1 . 2]" 1
743 1 44 THR MG 1 73 LEU HB2 4.790 . 4.790 4.018 2.814 4.713 . 0 0 "[ . 1 . 2]" 1
744 1 45 VAL H 1 45 VAL HB 3.840 . 3.840 2.647 2.473 2.797 . 0 0 "[ . 1 . 2]" 1
745 1 45 VAL H 1 45 VAL MG1 4.580 . 4.580 3.889 3.805 3.961 . 0 0 "[ . 1 . 2]" 1
746 1 45 VAL H 1 45 VAL QG 3.730 . 3.730 2.625 2.363 2.882 . 0 0 "[ . 1 . 2]" 1
747 1 45 VAL H 1 45 VAL MG2 4.580 . 4.580 2.671 2.384 2.973 . 0 0 "[ . 1 . 2]" 1
748 1 45 VAL H 1 46 THR H 4.970 . 4.970 4.282 4.038 4.452 . 0 0 "[ . 1 . 2]" 1
749 1 45 VAL H 1 57 ALA H 4.090 . 4.090 2.824 2.393 3.261 . 0 0 "[ . 1 . 2]" 1
750 1 45 VAL H 1 57 ALA MB 5.080 . 5.080 3.752 3.367 4.033 . 0 0 "[ . 1 . 2]" 1
751 1 45 VAL HA 1 45 VAL QG 3.220 . 3.220 2.189 2.178 2.198 . 0 0 "[ . 1 . 2]" 1
752 1 45 VAL HA 1 46 THR H 3.300 . 3.300 2.197 2.154 2.246 . 0 0 "[ . 1 . 2]" 1
753 1 45 VAL HA 1 46 THR HB 5.570 . 5.570 4.773 4.645 5.010 . 0 0 "[ . 1 . 2]" 1
754 1 45 VAL HB 1 46 THR H 4.920 . 4.920 4.351 4.133 4.524 . 0 0 "[ . 1 . 2]" 1
755 1 45 VAL HB 1 47 PHE QE 4.560 . 4.560 3.677 2.655 4.412 . 0 0 "[ . 1 . 2]" 1
756 1 45 VAL HB 1 57 ALA H 4.570 . 4.570 3.690 3.249 4.270 . 0 0 "[ . 1 . 2]" 1
757 1 45 VAL HB 1 70 PHE QE 4.640 . 4.640 3.437 2.959 3.860 . 0 0 "[ . 1 . 2]" 1
758 1 45 VAL QG 1 46 THR H 3.570 . 3.570 2.959 2.613 3.244 . 0 0 "[ . 1 . 2]" 1
759 1 45 VAL QG 1 47 PHE QE 4.140 . 4.140 2.707 2.396 3.157 . 0 0 "[ . 1 . 2]" 1
760 1 45 VAL QG 1 57 ALA MB 3.840 . 3.840 3.681 3.179 3.933 0.093 10 0 "[ . 1 . 2]" 1
761 1 45 VAL MG1 1 46 THR H 4.580 . 4.580 3.025 2.642 3.371 . 0 0 "[ . 1 . 2]" 1
762 1 45 VAL MG1 1 57 ALA MB 4.510 . 4.510 4.108 3.422 4.534 0.024 16 0 "[ . 1 . 2]" 1
763 1 45 VAL MG1 1 70 PHE QE 4.450 . 4.450 3.829 3.100 4.442 . 0 0 "[ . 1 . 2]" 1
764 1 45 VAL MG2 1 46 THR H 4.580 . 4.580 4.236 4.148 4.332 . 0 0 "[ . 1 . 2]" 1
765 1 45 VAL MG2 1 57 ALA MB 4.510 . 4.510 4.189 3.721 4.473 . 0 0 "[ . 1 . 2]" 1
766 1 45 VAL MG2 1 70 PHE QE 4.450 . 4.450 2.176 1.760 2.771 . 0 0 "[ . 1 . 2]" 1
767 1 46 THR H 1 46 THR HB 3.860 . 3.860 2.619 2.505 2.848 . 0 0 "[ . 1 . 2]" 1
768 1 46 THR H 1 46 THR MG 4.270 . 4.270 3.872 3.828 3.907 . 0 0 "[ . 1 . 2]" 1
769 1 46 THR HA 1 46 THR MG 3.350 . 3.350 2.414 2.299 2.460 . 0 0 "[ . 1 . 2]" 1
770 1 46 THR HA 1 47 PHE H 3.390 . 3.390 2.183 2.151 2.223 . 0 0 "[ . 1 . 2]" 1
771 1 46 THR HA 1 55 ARG H 4.670 . 4.670 4.449 3.848 4.732 0.062 15 0 "[ . 1 . 2]" 1
772 1 46 THR HA 1 56 GLN HA 3.660 . 3.660 2.195 1.939 2.480 . 0 0 "[ . 1 . 2]" 1
773 1 46 THR HA 1 56 GLN QG 4.060 . 4.060 2.734 2.116 4.161 0.101 13 0 "[ . 1 . 2]" 1
774 1 46 THR HA 1 57 ALA H 4.450 . 4.450 3.685 3.207 3.929 . 0 0 "[ . 1 . 2]" 1
775 1 46 THR MG 1 47 PHE H 3.780 . 3.780 3.116 3.011 3.227 . 0 0 "[ . 1 . 2]" 1
776 1 46 THR MG 1 54 GLN HA 5.130 . 5.130 4.034 3.234 4.720 . 0 0 "[ . 1 . 2]" 1
777 1 46 THR MG 1 54 GLN QB 5.510 . 5.510 2.393 1.749 2.815 . 0 0 "[ . 1 . 2]" 1
778 1 46 THR MG 1 54 GLN QG 3.900 . 3.900 3.196 2.557 3.693 . 0 0 "[ . 1 . 2]" 1
779 1 46 THR MG 1 55 ARG H 4.350 . 4.350 3.536 2.899 3.988 . 0 0 "[ . 1 . 2]" 1
780 1 46 THR MG 1 56 GLN H 5.160 . 5.160 4.322 3.353 5.091 . 0 0 "[ . 1 . 2]" 1
781 1 46 THR MG 1 56 GLN HA 4.410 . 4.410 3.494 2.850 3.934 . 0 0 "[ . 1 . 2]" 1
782 1 46 THR MG 1 56 GLN HB3 4.440 . 4.440 4.433 4.060 4.553 0.113 20 0 "[ . 1 . 2]" 1
783 1 46 THR MG 1 56 GLN HE21 4.870 . 4.870 3.512 2.685 4.445 . 0 0 "[ . 1 . 2]" 1
784 1 46 THR MG 1 56 GLN QE 4.090 . 4.090 3.366 2.651 4.129 0.039 9 0 "[ . 1 . 2]" 1
785 1 46 THR MG 1 56 GLN HE22 4.870 . 4.870 4.461 3.460 4.925 0.055 19 0 "[ . 1 . 2]" 1
786 1 46 THR MG 1 56 GLN QG 3.570 . 3.570 2.225 2.015 2.632 . 0 0 "[ . 1 . 2]" 1
787 1 46 THR MG 1 57 ALA H 5.780 . 5.780 5.254 4.742 5.559 . 0 0 "[ . 1 . 2]" 1
788 1 47 PHE H 1 47 PHE HB2 4.180 . 4.180 2.720 2.603 2.889 . 0 0 "[ . 1 . 2]" 1
789 1 47 PHE H 1 47 PHE QD 4.160 . 4.160 2.665 2.256 3.118 . 0 0 "[ . 1 . 2]" 1
790 1 47 PHE H 1 55 ARG H 4.370 . 4.370 3.179 2.742 3.447 . 0 0 "[ . 1 . 2]" 1
791 1 47 PHE H 1 56 GLN HA 4.460 . 4.460 3.367 2.994 3.927 . 0 0 "[ . 1 . 2]" 1
792 1 47 PHE HA 1 47 PHE QD 3.780 . 3.780 2.806 2.550 3.041 . 0 0 "[ . 1 . 2]" 1
793 1 47 PHE HA 1 48 CYS H 3.310 . 3.310 2.218 2.153 2.340 . 0 0 "[ . 1 . 2]" 1
794 1 47 PHE HA 1 55 ARG H 5.250 . 5.250 4.825 4.525 5.068 . 0 0 "[ . 1 . 2]" 1
795 1 47 PHE HB2 1 48 CYS H 4.870 . 4.870 4.152 3.654 4.374 . 0 0 "[ . 1 . 2]" 1
796 1 47 PHE HB3 1 48 CYS H 4.160 . 4.160 3.579 2.793 3.943 . 0 0 "[ . 1 . 2]" 1
797 1 47 PHE QD 1 48 CYS H 4.570 . 4.570 4.604 4.204 4.753 0.183 20 0 "[ . 1 . 2]" 1
798 1 47 PHE QD 1 54 GLN HA 5.440 . 5.440 5.496 5.369 5.654 0.214 17 0 "[ . 1 . 2]" 1
799 1 47 PHE QD 1 55 ARG H 4.650 . 4.650 3.649 3.508 3.885 . 0 0 "[ . 1 . 2]" 1
800 1 47 PHE QD 1 57 ALA MB 4.840 . 4.840 3.918 3.553 4.129 . 0 0 "[ . 1 . 2]" 1
801 1 47 PHE QE 1 55 ARG H 5.760 . 5.760 5.793 5.723 5.880 0.120 11 0 "[ . 1 . 2]" 1
802 1 47 PHE QE 1 55 ARG QB 4.330 . 4.330 3.863 3.497 4.368 0.038 6 0 "[ . 1 . 2]" 1
803 1 47 PHE QE 1 57 ALA MB 3.520 . 3.520 2.124 1.869 2.382 . 0 0 "[ . 1 . 2]" 1
804 1 49 TRP QB 1 50 GLY H 5.530 . 5.530 3.021 1.959 3.905 . 0 0 "[ . 1 . 2]" 1
805 1 52 THR HA 1 52 THR MG 3.070 . 3.070 2.427 2.347 2.532 . 0 0 "[ . 1 . 2]" 1
806 1 52 THR HB 1 53 GLU H 4.980 . 4.980 3.876 2.231 4.536 . 0 0 "[ . 1 . 2]" 1
807 1 53 GLU H 1 53 GLU QB 3.160 . 3.160 2.598 2.203 3.047 . 0 0 "[ . 1 . 2]" 1
808 1 53 GLU H 1 53 GLU QG 4.670 . 4.670 3.521 2.092 4.589 . 0 0 "[ . 1 . 2]" 1
809 1 53 GLU H 1 54 GLN H 4.050 . 4.050 3.831 2.643 4.242 0.192 9 0 "[ . 1 . 2]" 1
810 1 53 GLU H 1 54 GLN QB 4.640 . 4.640 4.607 3.681 4.887 0.247 7 0 "[ . 1 . 2]" 1
811 1 53 GLU HA 1 54 GLN H 3.060 . 3.060 2.272 2.123 3.073 0.013 11 0 "[ . 1 . 2]" 1
812 1 53 GLU QB 1 54 GLN H 4.290 . 4.290 3.846 3.376 4.054 . 0 0 "[ . 1 . 2]" 1
813 1 54 GLN H 1 54 GLN QG 3.400 . 3.400 2.703 2.226 3.370 . 0 0 "[ . 1 . 2]" 1
814 1 54 GLN HA 1 54 GLN QG 3.680 . 3.680 3.393 2.322 3.589 . 0 0 "[ . 1 . 2]" 1
815 1 54 GLN HA 1 55 ARG H 3.350 . 3.350 2.226 2.140 2.327 . 0 0 "[ . 1 . 2]" 1
816 1 54 GLN HA 1 55 ARG QG 5.780 . 5.780 4.773 3.761 5.865 0.085 3 0 "[ . 1 . 2]" 1
817 1 54 GLN QB 1 55 ARG H 4.950 . 4.950 3.034 2.523 3.387 . 0 0 "[ . 1 . 2]" 1
818 1 54 GLN QG 1 55 ARG H 4.500 . 4.500 4.028 3.541 4.328 . 0 0 "[ . 1 . 2]" 1
819 1 54 GLN QG 1 55 ARG HA 5.350 . 5.350 4.227 3.644 5.695 0.345 7 0 "[ . 1 . 2]" 1
820 1 55 ARG H 1 55 ARG HB2 4.240 . 4.240 2.669 2.471 3.277 . 0 0 "[ . 1 . 2]" 1
821 1 55 ARG H 1 55 ARG QB 3.520 . 3.520 2.592 2.419 2.734 . 0 0 "[ . 1 . 2]" 1
822 1 55 ARG H 1 55 ARG HB3 4.240 . 4.240 3.692 2.919 3.871 . 0 0 "[ . 1 . 2]" 1
823 1 55 ARG H 1 55 ARG QG 4.420 . 4.420 3.729 2.953 4.299 . 0 0 "[ . 1 . 2]" 1
824 1 55 ARG H 1 56 GLN HA 5.480 . 5.480 4.879 4.430 5.028 . 0 0 "[ . 1 . 2]" 1
825 1 55 ARG HA 1 55 ARG QD 3.460 . 3.460 2.889 2.005 3.726 0.266 12 0 "[ . 1 . 2]" 1
826 1 55 ARG HA 1 56 GLN H 3.330 . 3.330 2.296 2.116 2.533 . 0 0 "[ . 1 . 2]" 1
827 1 55 ARG HA 1 56 GLN QG 4.590 . 4.590 3.656 3.216 4.162 . 0 0 "[ . 1 . 2]" 1
828 1 55 ARG QB 1 55 ARG QD 3.500 . 3.500 2.380 2.141 2.834 . 0 0 "[ . 1 . 2]" 1
829 1 55 ARG QB 1 56 GLN H 3.800 . 3.800 2.910 2.145 3.917 0.117 3 0 "[ . 1 . 2]" 1
830 1 55 ARG HB2 1 56 GLN H 4.670 . 4.670 4.068 3.442 4.670 . 0 0 "[ . 1 . 2]" 1
831 1 55 ARG HB3 1 56 GLN H 4.670 . 4.670 3.001 2.166 4.318 . 0 0 "[ . 1 . 2]" 1
832 1 55 ARG QG 1 56 GLN H 4.000 . 4.000 3.893 3.304 4.356 0.356 17 0 "[ . 1 . 2]" 1
833 1 56 GLN H 1 56 GLN HB2 3.900 . 3.900 2.647 2.463 2.848 . 0 0 "[ . 1 . 2]" 1
834 1 56 GLN H 1 56 GLN QG 3.900 . 3.900 2.726 2.117 3.231 . 0 0 "[ . 1 . 2]" 1
835 1 56 GLN H 1 57 ALA H 5.110 . 5.110 4.499 4.275 4.615 . 0 0 "[ . 1 . 2]" 1
836 1 56 GLN HA 1 56 GLN QG 3.870 . 3.870 2.498 2.430 2.834 . 0 0 "[ . 1 . 2]" 1
837 1 56 GLN HA 1 57 ALA H 3.420 . 3.420 2.241 2.160 2.367 . 0 0 "[ . 1 . 2]" 1
838 1 56 GLN HA 1 57 ALA MB 4.920 . 4.920 4.008 3.908 4.118 . 0 0 "[ . 1 . 2]" 1
839 1 56 GLN HB2 1 57 ALA H 4.870 . 4.870 4.013 3.727 4.348 . 0 0 "[ . 1 . 2]" 1
840 1 56 GLN HB2 1 73 LEU HG 4.110 . 4.110 3.702 2.960 4.189 0.079 17 0 "[ . 1 . 2]" 1
841 1 56 GLN HB3 1 57 ALA H 4.240 . 4.240 3.009 2.629 3.616 . 0 0 "[ . 1 . 2]" 1
842 1 56 GLN HB3 1 73 LEU HG 4.010 . 4.010 3.652 2.834 4.032 0.022 4 0 "[ . 1 . 2]" 1
843 1 56 GLN QG 1 57 ALA H 4.610 . 4.610 4.165 3.984 4.631 0.021 13 0 "[ . 1 . 2]" 1
844 1 56 GLN QG 1 73 LEU HB2 4.840 . 4.840 4.372 3.616 4.939 0.099 1 0 "[ . 1 . 2]" 1
845 1 57 ALA H 1 73 LEU HG 5.780 . 5.780 4.619 3.784 5.805 0.025 10 0 "[ . 1 . 2]" 1
846 1 57 ALA HA 1 58 GLY H 3.740 . 3.740 2.158 2.133 2.182 . 0 0 "[ . 1 . 2]" 1
847 1 57 ALA HA 1 72 TRP HA 4.080 . 4.080 2.265 1.856 3.580 . 0 0 "[ . 1 . 2]" 1
848 1 57 ALA HA 1 73 LEU H 4.090 . 4.090 2.504 1.913 3.188 . 0 0 "[ . 1 . 2]" 1
849 1 57 ALA HA 1 73 LEU HB2 4.230 . 4.230 4.125 2.860 4.388 0.158 11 0 "[ . 1 . 2]" 1
850 1 57 ALA HA 1 73 LEU HG 5.190 . 5.190 3.597 2.167 5.273 0.083 12 0 "[ . 1 . 2]" 1
851 1 57 ALA MB 1 58 GLY H 3.620 . 3.620 3.249 3.027 3.334 . 0 0 "[ . 1 . 2]" 1
852 1 57 ALA MB 1 70 PHE QB 3.910 . 3.910 2.377 1.870 3.026 . 0 0 "[ . 1 . 2]" 1
853 1 57 ALA MB 1 70 PHE QD 3.780 . 3.780 2.836 2.445 3.161 . 0 0 "[ . 1 . 2]" 1
854 1 57 ALA MB 1 70 PHE QE 4.540 . 4.540 4.319 3.837 4.626 0.086 4 0 "[ . 1 . 2]" 1
855 1 57 ALA MB 1 71 HIS H 4.470 . 4.470 3.281 2.865 3.794 . 0 0 "[ . 1 . 2]" 1
856 1 57 ALA MB 1 72 TRP HA 3.830 . 3.830 2.724 2.199 3.620 . 0 0 "[ . 1 . 2]" 1
857 1 57 ALA MB 1 73 LEU H 4.870 . 4.870 3.841 3.320 4.423 . 0 0 "[ . 1 . 2]" 1
858 1 58 GLY H 1 59 ILE H 5.260 . 5.260 4.575 4.459 4.655 . 0 0 "[ . 1 . 2]" 1
859 1 58 GLY H 1 71 HIS H 4.170 . 4.170 3.474 2.979 3.985 . 0 0 "[ . 1 . 2]" 1
860 1 58 GLY H 1 73 LEU HB2 5.180 . 5.180 4.726 3.692 5.269 0.089 15 0 "[ . 1 . 2]" 1
861 1 58 GLY H 1 73 LEU HG 4.800 . 4.800 3.266 2.065 4.860 0.060 12 0 "[ . 1 . 2]" 1
862 1 58 GLY QA 1 59 ILE H 3.200 . 3.200 2.174 2.141 2.228 . 0 0 "[ . 1 . 2]" 1
863 1 58 GLY QA 1 59 ILE HB 5.090 . 5.090 4.489 4.392 4.636 . 0 0 "[ . 1 . 2]" 1
864 1 58 GLY QA 1 73 LEU HG 5.150 . 5.150 3.959 3.154 5.101 . 0 0 "[ . 1 . 2]" 1
865 1 59 ILE H 1 59 ILE HB 3.520 . 3.520 2.581 2.476 2.715 . 0 0 "[ . 1 . 2]" 1
866 1 59 ILE H 1 59 ILE MD 3.820 . 3.820 1.872 1.744 2.027 . 0 0 "[ . 1 . 2]" 1
867 1 59 ILE H 1 59 ILE QG 3.790 . 3.790 3.254 3.089 3.376 . 0 0 "[ . 1 . 2]" 1
868 1 59 ILE H 1 59 ILE MG 4.420 . 4.420 3.860 3.832 3.897 . 0 0 "[ . 1 . 2]" 1
869 1 59 ILE HA 1 59 ILE MD 4.040 . 4.040 3.153 2.971 3.379 . 0 0 "[ . 1 . 2]" 1
870 1 59 ILE HA 1 59 ILE HG12 4.440 . 4.440 3.748 3.733 3.788 . 0 0 "[ . 1 . 2]" 1
871 1 59 ILE HA 1 59 ILE QG 3.650 . 3.650 2.496 2.459 2.567 . 0 0 "[ . 1 . 2]" 1
872 1 59 ILE HA 1 59 ILE HG13 4.440 . 4.440 2.534 2.494 2.612 . 0 0 "[ . 1 . 2]" 1
873 1 59 ILE HA 1 59 ILE MG 3.420 . 3.420 2.504 2.408 2.604 . 0 0 "[ . 1 . 2]" 1
874 1 59 ILE HA 1 60 VAL H 3.450 . 3.450 2.213 2.178 2.262 . 0 0 "[ . 1 . 2]" 1
875 1 59 ILE HA 1 61 ALA H 5.390 . 5.390 4.066 3.650 4.307 . 0 0 "[ . 1 . 2]" 1
876 1 59 ILE HA 1 70 PHE HA 4.000 . 4.000 2.502 2.331 2.737 . 0 0 "[ . 1 . 2]" 1
877 1 59 ILE HA 1 70 PHE QD 4.890 . 4.890 3.586 3.032 4.149 . 0 0 "[ . 1 . 2]" 1
878 1 59 ILE HB 1 59 ILE MD 3.240 . 3.240 2.425 2.366 2.458 . 0 0 "[ . 1 . 2]" 1
879 1 59 ILE HB 1 61 ALA H 5.530 . 5.530 5.066 4.673 5.398 . 0 0 "[ . 1 . 2]" 1
880 1 59 ILE MD 1 60 VAL H 5.780 . 5.780 4.954 4.838 5.097 . 0 0 "[ . 1 . 2]" 1
881 1 59 ILE MD 1 70 PHE QD 4.670 . 4.670 3.188 2.597 3.735 . 0 0 "[ . 1 . 2]" 1
882 1 59 ILE MD 1 70 PHE QE 3.930 . 3.930 2.487 2.230 2.721 . 0 0 "[ . 1 . 2]" 1
883 1 59 ILE QG 1 60 VAL H 5.310 . 5.310 4.287 4.151 4.503 . 0 0 "[ . 1 . 2]" 1
884 1 59 ILE QG 1 70 PHE QE 3.700 . 3.700 2.680 2.314 3.026 . 0 0 "[ . 1 . 2]" 1
885 1 59 ILE MG 1 60 VAL H 3.850 . 3.850 2.772 2.606 3.004 . 0 0 "[ . 1 . 2]" 1
886 1 59 ILE MG 1 60 VAL HA 3.930 . 3.930 3.981 3.891 4.054 0.124 14 0 "[ . 1 . 2]" 1
887 1 59 ILE MG 1 60 VAL HB 5.340 . 5.340 4.584 4.194 5.398 0.058 20 0 "[ . 1 . 2]" 1
888 1 59 ILE MG 1 61 ALA H 3.750 . 3.750 2.624 2.347 2.893 . 0 0 "[ . 1 . 2]" 1
889 1 59 ILE MG 1 61 ALA HA 4.410 . 4.410 3.235 2.933 3.517 . 0 0 "[ . 1 . 2]" 1
890 1 59 ILE MG 1 61 ALA MB 4.980 . 4.980 4.105 3.961 4.274 . 0 0 "[ . 1 . 2]" 1
891 1 59 ILE MG 1 62 ILE HB 3.680 . 3.680 2.681 2.244 3.117 . 0 0 "[ . 1 . 2]" 1
892 1 59 ILE MG 1 62 ILE MG 3.350 . 3.350 2.278 2.048 2.720 . 0 0 "[ . 1 . 2]" 1
893 1 59 ILE MG 1 68 ILE HG12 4.800 . 4.800 3.838 3.092 4.474 . 0 0 "[ . 1 . 2]" 1
894 1 59 ILE MG 1 69 ARG H 4.740 . 4.740 3.178 2.704 3.758 . 0 0 "[ . 1 . 2]" 1
895 1 59 ILE MG 1 69 ARG QG 5.420 . 5.420 4.813 3.874 5.462 0.042 13 0 "[ . 1 . 2]" 1
896 1 59 ILE MG 1 70 PHE QD 4.880 . 4.880 4.548 4.258 4.732 . 0 0 "[ . 1 . 2]" 1
897 1 59 ILE MG 1 70 PHE QE 5.060 . 5.060 4.441 4.185 4.590 . 0 0 "[ . 1 . 2]" 1
898 1 60 VAL H 1 60 VAL HB 3.930 . 3.930 2.876 2.519 3.759 . 0 0 "[ . 1 . 2]" 1
899 1 60 VAL H 1 60 VAL QG 3.290 . 3.290 2.129 1.909 2.282 . 0 0 "[ . 1 . 2]" 1
900 1 60 VAL H 1 61 ALA H 3.480 . 3.480 2.390 2.108 2.505 . 0 0 "[ . 1 . 2]" 1
901 1 60 VAL H 1 61 ALA HA 5.060 . 5.060 4.879 4.717 4.986 . 0 0 "[ . 1 . 2]" 1
902 1 60 VAL H 1 61 ALA MB 4.920 . 4.920 4.690 4.485 4.796 . 0 0 "[ . 1 . 2]" 1
903 1 60 VAL H 1 69 ARG QG 5.780 . 5.780 4.279 3.039 5.165 . 0 0 "[ . 1 . 2]" 1
904 1 60 VAL H 1 70 PHE HA 4.130 . 4.130 2.983 2.586 3.460 . 0 0 "[ . 1 . 2]" 1
905 1 60 VAL HA 1 60 VAL QG 3.120 . 3.120 2.229 2.193 2.330 . 0 0 "[ . 1 . 2]" 1
906 1 60 VAL HB 1 61 ALA H 4.060 . 4.060 2.806 2.229 4.069 0.009 3 0 "[ . 1 . 2]" 1
907 1 60 VAL HB 1 61 ALA MB 4.190 . 4.190 3.685 3.439 4.142 . 0 0 "[ . 1 . 2]" 1
908 1 60 VAL HB 1 69 ARG QG 4.590 . 4.590 3.318 1.754 4.374 . 0 0 "[ . 1 . 2]" 1
909 1 60 VAL QG 1 61 ALA H 3.830 . 3.830 2.995 2.385 3.231 . 0 0 "[ . 1 . 2]" 1
910 1 60 VAL QG 1 61 ALA MB 3.300 . 3.300 2.901 2.765 3.100 . 0 0 "[ . 1 . 2]" 1
911 1 60 VAL QG 1 69 ARG QB 5.010 . 5.010 2.884 2.437 3.531 . 0 0 "[ . 1 . 2]" 1
912 1 60 VAL QG 1 70 PHE H 4.560 . 4.560 3.950 3.495 4.546 . 0 0 "[ . 1 . 2]" 1
913 1 60 VAL QG 1 70 PHE HA 4.080 . 4.080 2.973 2.479 3.616 . 0 0 "[ . 1 . 2]" 1
914 1 60 VAL QG 1 71 HIS H 3.930 . 3.930 3.079 2.399 3.765 . 0 0 "[ . 1 . 2]" 1
915 1 60 VAL QG 1 71 HIS QB 3.200 . 3.200 2.214 1.981 2.840 . 0 0 "[ . 1 . 2]" 1
916 1 60 VAL QG 1 71 HIS HD2 4.510 . 4.510 3.961 2.217 4.637 0.127 11 0 "[ . 1 . 2]" 1
917 1 61 ALA H 1 62 ILE H 4.600 . 4.600 4.302 4.217 4.355 . 0 0 "[ . 1 . 2]" 1
918 1 61 ALA H 1 62 ILE HB 5.760 . 5.760 4.562 4.319 4.783 . 0 0 "[ . 1 . 2]" 1
919 1 61 ALA H 1 69 ARG H 4.330 . 4.330 3.291 2.842 3.685 . 0 0 "[ . 1 . 2]" 1
920 1 61 ALA H 1 69 ARG QG 4.350 . 4.350 3.380 2.071 4.398 0.048 14 0 "[ . 1 . 2]" 1
921 1 61 ALA HA 1 62 ILE H 3.040 . 3.040 2.278 2.212 2.377 . 0 0 "[ . 1 . 2]" 1
922 1 61 ALA HA 1 62 ILE HB 5.000 . 5.000 4.605 4.481 4.715 . 0 0 "[ . 1 . 2]" 1
923 1 61 ALA HA 1 62 ILE MG 5.300 . 5.300 3.492 3.396 3.615 . 0 0 "[ . 1 . 2]" 1
924 1 61 ALA MB 1 62 ILE H 3.460 . 3.460 2.689 2.467 2.843 . 0 0 "[ . 1 . 2]" 1
925 1 61 ALA MB 1 62 ILE HA 4.780 . 4.780 3.948 3.807 4.034 . 0 0 "[ . 1 . 2]" 1
926 1 61 ALA MB 1 67 PHE QD 4.220 . 4.220 3.177 2.626 3.612 . 0 0 "[ . 1 . 2]" 1
927 1 61 ALA MB 1 67 PHE QE 3.700 . 3.700 2.216 1.848 2.603 . 0 0 "[ . 1 . 2]" 1
928 1 62 ILE H 1 62 ILE HB 3.980 . 3.980 3.538 3.470 3.592 . 0 0 "[ . 1 . 2]" 1
929 1 62 ILE H 1 62 ILE MG 3.510 . 3.510 2.567 2.477 2.642 . 0 0 "[ . 1 . 2]" 1
930 1 62 ILE H 1 67 PHE QE 5.660 . 5.660 3.016 2.702 3.591 . 0 0 "[ . 1 . 2]" 1
931 1 62 ILE HA 1 62 ILE MD 3.950 . 3.950 3.902 3.850 3.943 . 0 0 "[ . 1 . 2]" 1
932 1 62 ILE HA 1 63 ARG H 3.480 . 3.480 2.290 2.241 2.356 . 0 0 "[ . 1 . 2]" 1
933 1 62 ILE HA 1 67 PHE H 5.350 . 5.350 4.672 4.509 4.844 . 0 0 "[ . 1 . 2]" 1
934 1 62 ILE HA 1 67 PHE QE 4.680 . 4.680 3.438 3.303 3.587 . 0 0 "[ . 1 . 2]" 1
935 1 62 ILE HA 1 69 ARG H 4.610 . 4.610 3.935 3.707 4.311 . 0 0 "[ . 1 . 2]" 1
936 1 62 ILE HB 1 62 ILE MD 3.080 . 3.080 2.526 2.483 2.555 . 0 0 "[ . 1 . 2]" 1
937 1 62 ILE HB 1 63 ARG H 4.160 . 4.160 3.992 3.939 4.039 . 0 0 "[ . 1 . 2]" 1
938 1 62 ILE HB 1 67 PHE QD 5.510 . 5.510 4.982 4.761 5.272 . 0 0 "[ . 1 . 2]" 1
939 1 62 ILE HB 1 68 ILE MD 4.380 . 4.380 3.565 3.231 3.802 . 0 0 "[ . 1 . 2]" 1
940 1 62 ILE HB 1 68 ILE HG13 4.600 . 4.600 2.242 2.018 2.570 . 0 0 "[ . 1 . 2]" 1
941 1 62 ILE HB 1 70 PHE QE 5.780 . 5.780 5.891 5.796 6.007 0.227 3 0 "[ . 1 . 2]" 1
942 1 62 ILE MD 1 63 ARG H 3.890 . 3.890 3.900 3.806 3.961 0.071 4 0 "[ . 1 . 2]" 1
943 1 62 ILE MD 1 68 ILE H 5.780 . 5.780 5.848 5.752 5.970 0.190 9 0 "[ . 1 . 2]" 1
944 1 62 ILE MD 1 68 ILE HA 5.000 . 5.000 4.083 3.973 4.249 . 0 0 "[ . 1 . 2]" 1
945 1 62 ILE MD 1 68 ILE HB 3.960 . 3.960 3.088 2.977 3.251 . 0 0 "[ . 1 . 2]" 1
946 1 62 ILE MD 1 68 ILE MD 3.070 . 3.070 1.996 1.786 2.132 . 0 0 "[ . 1 . 2]" 1
947 1 62 ILE MD 1 68 ILE HG12 4.300 . 4.300 3.855 3.721 3.983 . 0 0 "[ . 1 . 2]" 1
948 1 62 ILE MD 1 68 ILE HG13 4.640 . 4.640 2.501 2.309 2.745 . 0 0 "[ . 1 . 2]" 1
949 1 62 ILE QG 1 63 ARG H 4.430 . 4.430 2.227 2.137 2.287 . 0 0 "[ . 1 . 2]" 1
950 1 62 ILE QG 1 65 TYR H 5.650 . 5.650 5.140 4.901 5.460 . 0 0 "[ . 1 . 2]" 1
951 1 62 ILE QG 1 67 PHE QE 5.150 . 5.150 5.171 5.093 5.282 0.132 12 0 "[ . 1 . 2]" 1
952 1 62 ILE QG 1 68 ILE HB 4.020 . 4.020 2.265 2.111 2.473 . 0 0 "[ . 1 . 2]" 1
953 1 62 ILE QG 1 68 ILE MD 4.330 . 4.330 3.087 2.890 3.252 . 0 0 "[ . 1 . 2]" 1
954 1 62 ILE MG 1 68 ILE HG13 4.660 . 4.660 3.724 3.505 4.063 . 0 0 "[ . 1 . 2]" 1
955 1 63 ARG H 1 65 TYR H 5.550 . 5.550 4.820 4.535 5.063 . 0 0 "[ . 1 . 2]" 1
956 1 63 ARG H 1 65 TYR HA 5.780 . 5.780 5.100 4.776 5.370 . 0 0 "[ . 1 . 2]" 1
957 1 63 ARG H 1 66 SER H 5.260 . 5.260 4.501 4.320 4.651 . 0 0 "[ . 1 . 2]" 1
958 1 63 ARG H 1 67 PHE QD 4.660 . 4.660 3.905 3.723 4.084 . 0 0 "[ . 1 . 2]" 1
959 1 63 ARG H 1 67 PHE QE 4.990 . 4.990 4.194 4.026 4.377 . 0 0 "[ . 1 . 2]" 1
960 1 63 ARG H 1 68 ILE HG13 5.180 . 5.180 5.104 4.869 5.277 0.097 17 0 "[ . 1 . 2]" 1
961 1 64 ALA MB 1 65 TYR H 3.560 . 3.560 1.926 1.877 2.020 . 0 0 "[ . 1 . 2]" 1
962 1 64 ALA MB 1 65 TYR HA 4.960 . 4.960 4.229 4.202 4.276 . 0 0 "[ . 1 . 2]" 1
963 1 64 ALA MB 1 65 TYR QD 3.600 . 3.600 2.323 2.160 2.584 . 0 0 "[ . 1 . 2]" 1
964 1 64 ALA MB 1 65 TYR QE 4.020 . 4.020 3.561 3.330 4.002 . 0 0 "[ . 1 . 2]" 1
965 1 64 ALA MB 1 66 SER H 4.500 . 4.500 3.017 2.877 3.244 . 0 0 "[ . 1 . 2]" 1
966 1 65 TYR H 1 65 TYR QD 4.110 . 4.110 2.400 1.882 3.064 . 0 0 "[ . 1 . 2]" 1
967 1 65 TYR H 1 65 TYR QE 4.440 . 4.440 4.263 4.088 4.452 0.012 1 0 "[ . 1 . 2]" 1
968 1 65 TYR H 1 66 SER H 3.860 . 3.860 1.662 1.586 1.747 . 0 0 "[ . 1 . 2]" 1
969 1 65 TYR H 1 66 SER HB2 4.850 . 4.850 3.930 3.805 4.143 . 0 0 "[ . 1 . 2]" 1
970 1 65 TYR H 1 66 SER HB3 5.440 . 5.440 5.071 3.943 5.321 . 0 0 "[ . 1 . 2]" 1
971 1 65 TYR H 1 67 PHE H 4.790 . 4.790 3.851 3.685 4.108 . 0 0 "[ . 1 . 2]" 1
972 1 65 TYR HA 1 86 MET H 5.780 . 5.780 4.953 4.457 5.779 . 0 0 "[ . 1 . 2]" 1
973 1 65 TYR QB 1 66 SER H 4.580 . 4.580 3.892 3.755 3.965 . 0 0 "[ . 1 . 2]" 1
974 1 65 TYR QB 1 66 SER HA 5.210 . 5.210 4.748 4.424 4.886 . 0 0 "[ . 1 . 2]" 1
975 1 65 TYR QB 1 67 PHE H 5.370 . 5.370 5.001 4.739 5.410 0.040 20 0 "[ . 1 . 2]" 1
976 1 65 TYR QB 1 86 MET H 5.510 . 5.510 4.326 3.633 5.294 . 0 0 "[ . 1 . 2]" 1
977 1 65 TYR QD 1 66 SER H 3.910 . 3.910 3.405 2.663 3.977 0.067 15 0 "[ . 1 . 2]" 1
978 1 65 TYR QD 1 67 PHE H 5.440 . 5.440 5.380 4.991 5.575 0.135 19 0 "[ . 1 . 2]" 1
979 1 65 TYR QD 1 86 MET H 5.750 . 5.750 4.004 3.242 4.639 . 0 0 "[ . 1 . 2]" 1
980 1 65 TYR QD 1 86 MET ME 4.340 . 4.340 4.231 3.865 4.399 0.059 1 0 "[ . 1 . 2]" 1
981 1 65 TYR QE 1 86 MET H 5.250 . 5.250 5.298 4.822 5.420 0.170 13 0 "[ . 1 . 2]" 1
982 1 65 TYR QE 1 86 MET ME 5.780 . 5.780 5.621 5.005 5.887 0.107 7 0 "[ . 1 . 2]" 1
983 1 66 SER H 1 66 SER HB2 3.990 . 3.990 2.528 2.428 2.637 . 0 0 "[ . 1 . 2]" 1
984 1 66 SER H 1 66 SER HB3 4.200 . 4.200 3.560 2.536 3.652 . 0 0 "[ . 1 . 2]" 1
985 1 66 SER H 1 67 PHE H 3.560 . 3.560 2.631 2.459 2.844 . 0 0 "[ . 1 . 2]" 1
986 1 66 SER H 1 67 PHE QD 4.980 . 4.980 4.930 4.480 5.119 0.139 12 0 "[ . 1 . 2]" 1
987 1 66 SER HA 1 67 PHE HB3 5.780 . 5.780 4.924 4.825 5.073 . 0 0 "[ . 1 . 2]" 1
988 1 66 SER HA 1 86 MET H 5.570 . 5.570 3.393 2.473 3.887 . 0 0 "[ . 1 . 2]" 1
989 1 66 SER HB2 1 67 PHE H 4.040 . 4.040 3.200 2.490 4.021 . 0 0 "[ . 1 . 2]" 1
990 1 66 SER HB3 1 67 PHE H 4.300 . 4.300 3.998 2.793 4.320 0.020 2 0 "[ . 1 . 2]" 1
991 1 66 SER HB3 1 67 PHE HB3 4.780 . 4.780 4.593 4.382 4.799 0.019 19 0 "[ . 1 . 2]" 1
992 1 66 SER HB3 1 67 PHE QD 4.760 . 4.760 3.128 2.752 3.437 . 0 0 "[ . 1 . 2]" 1
993 1 67 PHE H 1 67 PHE QD 4.250 . 4.250 3.619 3.204 3.811 . 0 0 "[ . 1 . 2]" 1
994 1 67 PHE H 1 68 ILE H 5.130 . 5.130 4.160 3.934 4.358 . 0 0 "[ . 1 . 2]" 1
995 1 67 PHE H 1 68 ILE HA 5.370 . 5.370 4.970 4.872 5.042 . 0 0 "[ . 1 . 2]" 1
996 1 67 PHE HA 1 68 ILE H 3.630 . 3.630 2.227 2.160 2.308 . 0 0 "[ . 1 . 2]" 1
997 1 67 PHE HA 1 68 ILE HA 4.890 . 4.890 4.495 4.448 4.546 . 0 0 "[ . 1 . 2]" 1
998 1 67 PHE HA 1 68 ILE MG 4.660 . 4.660 3.708 3.550 3.856 . 0 0 "[ . 1 . 2]" 1
999 1 67 PHE HA 1 84 ILE HA 5.780 . 5.780 5.515 5.233 5.844 0.064 4 0 "[ . 1 . 2]" 1
1000 1 67 PHE HA 1 85 LYS HA 4.040 . 4.040 2.712 2.061 3.143 . 0 0 "[ . 1 . 2]" 1
1001 1 67 PHE HA 1 85 LYS QB 5.030 . 5.030 2.494 1.875 3.764 . 0 0 "[ . 1 . 2]" 1
1002 1 67 PHE HA 1 86 MET H 5.210 . 5.210 4.414 3.532 5.007 . 0 0 "[ . 1 . 2]" 1
1003 1 67 PHE HB2 1 68 ILE H 4.590 . 4.590 2.889 2.604 3.119 . 0 0 "[ . 1 . 2]" 1
1004 1 67 PHE HB2 1 85 LYS HA 5.780 . 5.780 5.011 3.930 5.589 . 0 0 "[ . 1 . 2]" 1
1005 1 67 PHE HB3 1 68 ILE H 4.180 . 4.180 3.978 3.778 4.120 . 0 0 "[ . 1 . 2]" 1
1006 1 67 PHE HB3 1 85 LYS HA 5.110 . 5.110 4.588 3.446 5.201 0.091 13 0 "[ . 1 . 2]" 1
1007 1 67 PHE QD 1 68 ILE H 4.570 . 4.570 3.937 3.653 4.172 . 0 0 "[ . 1 . 2]" 1
1008 1 67 PHE QD 1 68 ILE HB 5.750 . 5.750 5.187 5.082 5.349 . 0 0 "[ . 1 . 2]" 1
1009 1 67 PHE QD 1 69 ARG H 5.470 . 5.470 4.469 4.262 4.739 . 0 0 "[ . 1 . 2]" 1
1010 1 67 PHE QD 1 69 ARG QD 3.940 . 3.940 2.553 2.114 2.996 . 0 0 "[ . 1 . 2]" 1
1011 1 68 ILE H 1 68 ILE MD 5.670 . 5.670 4.948 4.918 4.983 . 0 0 "[ . 1 . 2]" 1
1012 1 68 ILE H 1 68 ILE MG 3.620 . 3.620 2.475 2.425 2.526 . 0 0 "[ . 1 . 2]" 1
1013 1 68 ILE H 1 69 ARG QD 5.230 . 5.230 3.598 3.244 4.094 . 0 0 "[ . 1 . 2]" 1
1014 1 68 ILE H 1 84 ILE HB 4.910 . 4.910 4.324 3.891 4.740 . 0 0 "[ . 1 . 2]" 1
1015 1 68 ILE H 1 85 LYS HA 4.500 . 4.500 3.938 3.518 4.270 . 0 0 "[ . 1 . 2]" 1
1016 1 68 ILE HA 1 68 ILE MD 4.250 . 4.250 3.858 3.834 3.897 . 0 0 "[ . 1 . 2]" 1
1017 1 68 ILE HA 1 68 ILE HG12 3.640 . 3.640 3.124 3.039 3.187 . 0 0 "[ . 1 . 2]" 1
1018 1 68 ILE HA 1 68 ILE HG13 4.410 . 4.410 2.545 2.503 2.610 . 0 0 "[ . 1 . 2]" 1
1019 1 68 ILE HA 1 69 ARG H 3.610 . 3.610 2.246 2.175 2.315 . 0 0 "[ . 1 . 2]" 1
1020 1 68 ILE HA 1 69 ARG HA 4.970 . 4.970 4.494 4.418 4.543 . 0 0 "[ . 1 . 2]" 1
1021 1 68 ILE HA 1 69 ARG QD 3.770 . 3.770 2.960 2.702 3.824 0.054 19 0 "[ . 1 . 2]" 1
1022 1 68 ILE HA 1 69 ARG QG 4.420 . 4.420 4.419 3.593 4.654 0.234 1 0 "[ . 1 . 2]" 1
1023 1 68 ILE HB 1 69 ARG H 5.650 . 5.650 4.157 4.078 4.240 . 0 0 "[ . 1 . 2]" 1
1024 1 68 ILE HB 1 70 PHE QE 5.780 . 5.780 5.117 4.796 5.476 . 0 0 "[ . 1 . 2]" 1
1025 1 68 ILE HB 1 84 ILE H 5.780 . 5.780 5.267 4.918 5.544 . 0 0 "[ . 1 . 2]" 1
1026 1 68 ILE HB 1 84 ILE HB 5.780 . 5.780 5.181 4.853 5.691 . 0 0 "[ . 1 . 2]" 1
1027 1 68 ILE MD 1 68 ILE MG 3.120 . 3.120 2.006 1.972 2.028 . 0 0 "[ . 1 . 2]" 1
1028 1 68 ILE MD 1 69 ARG H 4.700 . 4.700 4.155 4.012 4.312 . 0 0 "[ . 1 . 2]" 1
1029 1 68 ILE MD 1 70 PHE QD 5.090 . 5.090 3.971 3.533 4.313 . 0 0 "[ . 1 . 2]" 1
1030 1 68 ILE MD 1 70 PHE QE 3.490 . 3.490 2.311 2.044 2.629 . 0 0 "[ . 1 . 2]" 1
1031 1 68 ILE HG12 1 68 ILE MG 3.650 . 3.650 2.505 2.462 2.572 . 0 0 "[ . 1 . 2]" 1
1032 1 68 ILE HG12 1 69 ARG H 4.450 . 4.450 2.733 2.551 2.908 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ILE HG12 1 70 PHE QE 4.210 . 4.210 2.747 2.505 3.009 . 0 0 "[ . 1 . 2]" 1
1034 1 68 ILE HG13 1 68 ILE MG 3.350 . 3.350 3.268 3.262 3.275 . 0 0 "[ . 1 . 2]" 1
1035 1 68 ILE HG13 1 70 PHE QD 5.210 . 5.210 5.020 4.762 5.206 . 0 0 "[ . 1 . 2]" 1
1036 1 68 ILE HG13 1 70 PHE QE 5.380 . 5.380 4.066 3.890 4.185 . 0 0 "[ . 1 . 2]" 1
1037 1 68 ILE MG 1 69 ARG H 4.800 . 4.800 3.936 3.833 4.084 . 0 0 "[ . 1 . 2]" 1
1038 1 68 ILE MG 1 69 ARG QB 5.130 . 5.130 5.034 4.677 5.367 0.237 1 0 "[ . 1 . 2]" 1
1039 1 68 ILE MG 1 69 ARG QD 5.080 . 5.080 4.672 4.429 5.251 0.171 16 0 "[ . 1 . 2]" 1
1040 1 68 ILE MG 1 70 PHE H 5.690 . 5.690 5.314 4.924 5.709 0.019 17 0 "[ . 1 . 2]" 1
1041 1 68 ILE MG 1 70 PHE QD 4.680 . 4.680 4.137 3.677 4.684 0.004 17 0 "[ . 1 . 2]" 1
1042 1 68 ILE MG 1 70 PHE QE 4.390 . 4.390 3.353 2.768 3.865 . 0 0 "[ . 1 . 2]" 1
1043 1 68 ILE MG 1 83 GLU HA 5.350 . 5.350 4.139 3.697 4.454 . 0 0 "[ . 1 . 2]" 1
1044 1 68 ILE MG 1 83 GLU QB 5.580 . 5.580 4.966 4.197 5.733 0.153 20 0 "[ . 1 . 2]" 1
1045 1 68 ILE MG 1 84 ILE H 3.960 . 3.960 2.806 2.479 2.992 . 0 0 "[ . 1 . 2]" 1
1046 1 68 ILE MG 1 84 ILE HB 3.550 . 3.550 2.411 2.076 2.742 . 0 0 "[ . 1 . 2]" 1
1047 1 68 ILE MG 1 84 ILE MD 3.070 . 3.070 2.809 2.258 3.164 0.094 2 0 "[ . 1 . 2]" 1
1048 1 69 ARG H 1 69 ARG QG 4.700 . 4.700 3.256 2.396 3.778 . 0 0 "[ . 1 . 2]" 1
1049 1 69 ARG HA 1 70 PHE H 3.750 . 3.750 2.197 2.103 2.377 . 0 0 "[ . 1 . 2]" 1
1050 1 69 ARG HA 1 70 PHE QD 4.780 . 4.780 3.486 2.813 4.158 . 0 0 "[ . 1 . 2]" 1
1051 1 69 ARG HA 1 83 GLU HA 4.330 . 4.330 2.667 2.288 3.379 . 0 0 "[ . 1 . 2]" 1
1052 1 69 ARG HA 1 84 ILE H 5.070 . 5.070 3.880 3.293 4.251 . 0 0 "[ . 1 . 2]" 1
1053 1 69 ARG QB 1 69 ARG QD 3.200 . 3.200 2.333 2.101 2.659 . 0 0 "[ . 1 . 2]" 1
1054 1 69 ARG QB 1 83 GLU HA 4.750 . 4.750 3.321 2.099 4.584 . 0 0 "[ . 1 . 2]" 1
1055 1 70 PHE H 1 70 PHE QD 4.340 . 4.340 2.789 2.421 3.291 . 0 0 "[ . 1 . 2]" 1
1056 1 70 PHE H 1 83 GLU HA 5.780 . 5.780 4.121 3.473 5.045 . 0 0 "[ . 1 . 2]" 1
1057 1 70 PHE HA 1 70 PHE QD 4.240 . 4.240 3.102 2.860 3.270 . 0 0 "[ . 1 . 2]" 1
1058 1 70 PHE HA 1 71 HIS H 3.540 . 3.540 2.310 2.175 2.480 . 0 0 "[ . 1 . 2]" 1
1059 1 70 PHE QB 1 71 HIS H 3.960 . 3.960 2.690 2.166 3.412 . 0 0 "[ . 1 . 2]" 1
1060 1 70 PHE QD 1 71 HIS H 4.630 . 4.630 3.914 3.287 4.646 0.016 14 0 "[ . 1 . 2]" 1
1061 1 71 HIS H 1 72 TRP H 4.920 . 4.920 4.277 4.083 4.472 . 0 0 "[ . 1 . 2]" 1
1062 1 71 HIS HA 1 72 TRP H 3.700 . 3.700 2.204 2.140 2.276 . 0 0 "[ . 1 . 2]" 1
1063 1 71 HIS QB 1 72 TRP H 4.490 . 4.490 3.560 2.787 3.915 . 0 0 "[ . 1 . 2]" 1
1064 1 71 HIS HD2 1 72 TRP H 5.500 . 5.500 4.384 3.426 5.740 0.240 19 0 "[ . 1 . 2]" 1
1065 1 72 TRP H 1 72 TRP HD1 5.110 . 5.110 3.539 2.042 5.133 0.023 8 0 "[ . 1 . 2]" 1
1066 1 72 TRP HA 1 73 LEU H 3.730 . 3.730 2.199 2.115 2.357 . 0 0 "[ . 1 . 2]" 1
1067 1 72 TRP HA 1 73 LEU HB2 4.770 . 4.770 4.569 4.331 4.740 . 0 0 "[ . 1 . 2]" 1
1068 1 72 TRP QB 1 72 TRP HD1 3.570 . 3.570 2.695 2.470 2.998 . 0 0 "[ . 1 . 2]" 1
1069 1 72 TRP QB 1 74 ASP H 4.750 . 4.750 3.000 2.357 4.284 . 0 0 "[ . 1 . 2]" 1
1070 1 73 LEU H 1 73 LEU HB2 3.730 . 3.730 2.421 2.112 2.634 . 0 0 "[ . 1 . 2]" 1
1071 1 73 LEU H 1 73 LEU HB3 4.010 . 4.010 3.565 3.035 3.636 . 0 0 "[ . 1 . 2]" 1
1072 1 73 LEU H 1 73 LEU HG 4.140 . 4.140 3.019 2.137 4.249 0.109 8 0 "[ . 1 . 2]" 1
1073 1 73 LEU H 1 74 ASP H 3.920 . 3.920 2.560 2.232 2.812 . 0 0 "[ . 1 . 2]" 1
1074 1 73 LEU HB2 1 73 LEU HG 3.020 . 3.020 2.451 2.384 2.509 . 0 0 "[ . 1 . 2]" 1
1075 1 73 LEU HB2 1 74 ASP H 4.200 . 4.200 3.000 2.483 3.551 . 0 0 "[ . 1 . 2]" 1
1076 1 73 LEU HB2 1 74 ASP QB 5.280 . 5.280 4.542 3.793 5.343 0.063 15 0 "[ . 1 . 2]" 1
1077 1 73 LEU HB3 1 74 ASP H 4.410 . 4.410 3.731 2.352 4.354 . 0 0 "[ . 1 . 2]" 1
1078 1 73 LEU HG 1 74 ASP H 5.500 . 5.500 4.751 4.206 5.372 . 0 0 "[ . 1 . 2]" 1
1079 1 74 ASP H 1 74 ASP HB2 4.090 . 4.090 2.727 2.292 3.685 . 0 0 "[ . 1 . 2]" 1
1080 1 74 ASP H 1 74 ASP QB 3.370 . 3.370 2.423 2.171 2.885 . 0 0 "[ . 1 . 2]" 1
1081 1 74 ASP H 1 74 ASP HB3 4.090 . 4.090 3.007 2.492 3.645 . 0 0 "[ . 1 . 2]" 1
1082 1 74 ASP H 1 75 ASP H 3.630 . 3.630 2.893 2.435 3.750 0.120 19 0 "[ . 1 . 2]" 1
1083 1 75 ASP H 1 75 ASP HB2 3.830 . 3.830 2.866 2.372 3.774 . 0 0 "[ . 1 . 2]" 1
1084 1 75 ASP H 1 75 ASP QB 3.350 . 3.350 2.519 2.212 3.088 . 0 0 "[ . 1 . 2]" 1
1085 1 75 ASP H 1 75 ASP HB3 3.830 . 3.830 3.015 2.398 3.760 . 0 0 "[ . 1 . 2]" 1
1086 1 75 ASP HA 1 76 GLU H 3.430 . 3.430 2.432 2.148 3.576 0.146 4 0 "[ . 1 . 2]" 1
1087 1 75 ASP HA 1 76 GLU QB 5.270 . 5.270 4.341 3.883 4.718 . 0 0 "[ . 1 . 2]" 1
1088 1 75 ASP HA 1 77 ASN H 4.730 . 4.730 3.949 3.211 4.844 0.114 8 0 "[ . 1 . 2]" 1
1089 1 75 ASP QB 1 76 GLU H 4.620 . 4.620 3.518 1.913 4.095 . 0 0 "[ . 1 . 2]" 1
1090 1 75 ASP QB 1 77 ASN H 5.130 . 5.130 4.073 2.903 5.303 0.173 18 0 "[ . 1 . 2]" 1
1091 1 76 GLU H 1 76 GLU QB 3.610 . 3.610 2.733 2.261 3.327 . 0 0 "[ . 1 . 2]" 1
1092 1 76 GLU H 1 76 GLU QG 4.860 . 4.860 3.105 1.814 4.271 . 0 0 "[ . 1 . 2]" 1
1093 1 76 GLU HA 1 76 GLU HG2 4.160 . 4.160 3.542 2.878 3.848 . 0 0 "[ . 1 . 2]" 1
1094 1 76 GLU HA 1 76 GLU QG 3.570 . 3.570 2.952 2.412 3.398 . 0 0 "[ . 1 . 2]" 1
1095 1 76 GLU HA 1 76 GLU HG3 4.160 . 4.160 3.219 2.486 3.884 . 0 0 "[ . 1 . 2]" 1
1096 1 76 GLU HA 1 77 ASN HA 5.060 . 5.060 4.739 4.264 4.941 . 0 0 "[ . 1 . 2]" 1
1097 1 76 GLU QB 1 77 ASN H 4.450 . 4.450 3.481 2.089 4.068 . 0 0 "[ . 1 . 2]" 1
1098 1 76 GLU QG 1 77 ASN HA 5.610 . 5.610 4.227 3.303 5.829 0.219 5 0 "[ . 1 . 2]" 1
1099 1 76 GLU HG2 1 77 ASN H 5.780 . 5.780 4.026 2.854 5.879 0.099 5 0 "[ . 1 . 2]" 1
1100 1 76 GLU HG3 1 77 ASN H 5.780 . 5.780 4.080 2.345 5.473 . 0 0 "[ . 1 . 2]" 1
1101 1 77 ASN H 1 77 ASN QB 3.350 . 3.350 2.652 2.251 3.364 0.014 17 0 "[ . 1 . 2]" 1
1102 1 77 ASN HA 1 78 GLU HA 5.020 . 5.020 4.483 4.284 4.916 . 0 0 "[ . 1 . 2]" 1
1103 1 77 ASN HA 1 78 GLU QB 4.810 . 4.810 4.543 4.222 4.908 0.098 5 0 "[ . 1 . 2]" 1
1104 1 77 ASN HA 1 78 GLU QG 5.780 . 5.780 4.680 3.718 6.099 0.319 5 0 "[ . 1 . 2]" 1
1105 1 77 ASN QB 1 78 GLU H 5.210 . 5.210 3.263 1.975 4.093 . 0 0 "[ . 1 . 2]" 1
1106 1 78 GLU H 1 78 GLU QB 3.900 . 3.900 2.762 2.256 3.432 . 0 0 "[ . 1 . 2]" 1
1107 1 78 GLU H 1 79 ARG H 5.070 . 5.070 3.672 1.977 4.714 . 0 0 "[ . 1 . 2]" 1
1108 1 78 GLU QB 1 79 ARG H 4.470 . 4.470 2.874 1.786 3.956 . 0 0 "[ . 1 . 2]" 1
1109 1 78 GLU QB 1 80 ASP H 5.310 . 5.310 4.356 3.215 5.375 0.065 19 0 "[ . 1 . 2]" 1
1110 1 79 ARG H 1 79 ARG QB 3.700 . 3.700 2.754 2.244 3.520 . 0 0 "[ . 1 . 2]" 1
1111 1 79 ARG H 1 80 ASP H 4.070 . 4.070 2.887 1.727 4.152 0.082 5 0 "[ . 1 . 2]" 1
1112 1 79 ARG H 1 80 ASP QB 5.170 . 5.170 4.644 3.496 5.285 0.115 8 0 "[ . 1 . 2]" 1
1113 1 80 ASP H 1 80 ASP HB2 4.390 . 4.390 2.990 2.353 3.931 . 0 0 "[ . 1 . 2]" 1
1114 1 80 ASP H 1 80 ASP QB 3.620 . 3.620 2.709 2.242 3.329 . 0 0 "[ . 1 . 2]" 1
1115 1 80 ASP H 1 80 ASP HB3 4.390 . 4.390 3.451 2.396 4.068 . 0 0 "[ . 1 . 2]" 1
1116 1 80 ASP HA 1 81 TYR H 3.570 . 3.570 2.487 2.127 3.496 . 0 0 "[ . 1 . 2]" 1
1117 1 80 ASP HA 1 102 PHE QD 4.890 . 4.890 4.367 3.117 5.039 0.149 18 0 "[ . 1 . 2]" 1
1118 1 80 ASP QB 1 81 TYR H 3.960 . 3.960 2.959 1.877 3.958 . 0 0 "[ . 1 . 2]" 1
1119 1 80 ASP HB2 1 81 TYR H 4.680 . 4.680 3.611 1.907 4.572 . 0 0 "[ . 1 . 2]" 1
1120 1 80 ASP HB3 1 81 TYR H 4.680 . 4.680 3.401 1.900 4.502 . 0 0 "[ . 1 . 2]" 1
1121 1 81 TYR H 1 102 PHE QD 3.740 . 3.740 3.145 2.311 3.800 0.060 15 0 "[ . 1 . 2]" 1
1122 1 81 TYR HA 1 82 PHE H 3.700 . 3.700 2.292 2.121 2.600 . 0 0 "[ . 1 . 2]" 1
1123 1 81 TYR QB 1 82 PHE H 4.230 . 4.230 3.395 2.180 4.091 . 0 0 "[ . 1 . 2]" 1
1124 1 81 TYR QD 1 82 PHE H 4.450 . 4.450 3.568 2.622 4.578 0.128 6 0 "[ . 1 . 2]" 1
1125 1 81 TYR QD 1 82 PHE HA 5.220 . 5.220 4.175 3.271 4.919 . 0 0 "[ . 1 . 2]" 1
1126 1 81 TYR QD 1 83 GLU H 4.920 . 4.920 4.246 2.903 4.961 0.041 19 0 "[ . 1 . 2]" 1
1127 1 81 TYR QD 1 83 GLU QB 4.790 . 4.790 3.750 1.957 4.927 0.137 13 0 "[ . 1 . 2]" 1
1128 1 81 TYR QE 1 83 GLU QB 3.890 . 3.890 3.079 1.651 4.016 0.126 13 0 "[ . 1 . 2]" 1
1129 1 81 TYR QE 1 100 THR HB 4.600 . 4.600 4.007 2.775 4.671 0.071 19 0 "[ . 1 . 2]" 1
1130 1 81 TYR QE 1 100 THR MG 3.860 . 3.860 2.983 2.162 3.859 . 0 0 "[ . 1 . 2]" 1
1131 1 82 PHE H 1 82 PHE QD 4.700 . 4.700 3.347 2.150 4.491 . 0 0 "[ . 1 . 2]" 1
1132 1 82 PHE HA 1 83 GLU H 3.680 . 3.680 2.158 2.081 2.217 . 0 0 "[ . 1 . 2]" 1
1133 1 82 PHE HA 1 101 ASP HA 4.130 . 4.130 3.161 2.252 3.814 . 0 0 "[ . 1 . 2]" 1
1134 1 82 PHE QB 1 83 GLU H 4.160 . 4.160 3.552 2.997 3.991 . 0 0 "[ . 1 . 2]" 1
1135 1 82 PHE HB2 1 83 GLU H 4.870 . 4.870 3.963 3.073 4.558 . 0 0 "[ . 1 . 2]" 1
1136 1 82 PHE HB3 1 83 GLU H 4.870 . 4.870 4.206 3.719 4.423 . 0 0 "[ . 1 . 2]" 1
1137 1 82 PHE QD 1 83 GLU H 5.200 . 5.200 4.121 3.037 4.821 . 0 0 "[ . 1 . 2]" 1
1138 1 82 PHE QD 1 84 ILE MD 3.780 . 3.780 2.638 1.762 3.809 0.029 7 0 "[ . 1 . 2]" 1
1139 1 82 PHE QD 1 84 ILE HG13 5.510 . 5.510 4.401 3.867 5.134 . 0 0 "[ . 1 . 2]" 1
1140 1 82 PHE QD 1 99 ILE QG 5.510 . 5.510 5.362 4.914 5.652 0.142 15 0 "[ . 1 . 2]" 1
1141 1 82 PHE QD 1 99 ILE MG 5.080 . 5.080 3.940 3.026 4.777 . 0 0 "[ . 1 . 2]" 1
1142 1 83 GLU H 1 84 ILE H 5.610 . 5.610 4.455 4.341 4.523 . 0 0 "[ . 1 . 2]" 1
1143 1 83 GLU H 1 99 ILE MG 4.900 . 4.900 4.225 3.620 4.929 0.029 18 0 "[ . 1 . 2]" 1
1144 1 83 GLU H 1 100 THR H 4.330 . 4.330 3.472 3.064 3.903 . 0 0 "[ . 1 . 2]" 1
1145 1 83 GLU H 1 100 THR HB 4.540 . 4.540 3.025 2.287 3.753 . 0 0 "[ . 1 . 2]" 1
1146 1 83 GLU H 1 100 THR MG 4.840 . 4.840 3.720 3.249 4.178 . 0 0 "[ . 1 . 2]" 1
1147 1 83 GLU HA 1 84 ILE H 3.550 . 3.550 2.235 2.141 2.348 . 0 0 "[ . 1 . 2]" 1
1148 1 83 GLU HA 1 84 ILE HB 5.080 . 5.080 4.753 4.546 4.976 . 0 0 "[ . 1 . 2]" 1
1149 1 83 GLU HA 1 84 ILE HG12 5.780 . 5.780 5.721 5.365 5.896 0.116 10 0 "[ . 1 . 2]" 1
1150 1 83 GLU HA 1 84 ILE HG13 5.510 . 5.510 4.680 4.353 5.012 . 0 0 "[ . 1 . 2]" 1
1151 1 83 GLU QB 1 84 ILE H 4.380 . 4.380 3.233 2.508 3.797 . 0 0 "[ . 1 . 2]" 1
1152 1 83 GLU QB 1 100 THR HB 4.190 . 4.190 2.609 1.563 4.050 . 0 0 "[ . 1 . 2]" 1
1153 1 84 ILE H 1 84 ILE HB 3.790 . 3.790 2.815 2.700 2.938 . 0 0 "[ . 1 . 2]" 1
1154 1 84 ILE H 1 84 ILE MD 4.610 . 4.610 2.471 2.302 2.659 . 0 0 "[ . 1 . 2]" 1
1155 1 84 ILE H 1 84 ILE HG13 4.330 . 4.330 3.740 3.599 3.888 . 0 0 "[ . 1 . 2]" 1
1156 1 84 ILE H 1 85 LYS H 5.440 . 5.440 4.258 4.070 4.371 . 0 0 "[ . 1 . 2]" 1
1157 1 84 ILE H 1 85 LYS HA 5.710 . 5.710 4.976 4.830 5.121 . 0 0 "[ . 1 . 2]" 1
1158 1 84 ILE H 1 99 ILE HA 5.780 . 5.780 5.048 4.782 5.407 . 0 0 "[ . 1 . 2]" 1
1159 1 84 ILE HA 1 84 ILE MD 4.330 . 4.330 3.411 3.264 3.519 . 0 0 "[ . 1 . 2]" 1
1160 1 84 ILE HA 1 84 ILE MG 3.430 . 3.430 2.409 2.348 2.465 . 0 0 "[ . 1 . 2]" 1
1161 1 84 ILE HA 1 85 LYS H 3.490 . 3.490 2.184 2.124 2.249 . 0 0 "[ . 1 . 2]" 1
1162 1 84 ILE HA 1 85 LYS HA 4.990 . 4.990 4.478 4.451 4.508 . 0 0 "[ . 1 . 2]" 1
1163 1 84 ILE HA 1 98 GLU H 5.230 . 5.230 4.991 4.577 5.279 0.049 18 0 "[ . 1 . 2]" 1
1164 1 84 ILE HA 1 99 ILE HA 4.480 . 4.480 2.498 2.236 2.784 . 0 0 "[ . 1 . 2]" 1
1165 1 84 ILE HA 1 99 ILE MD 3.630 . 3.630 3.586 2.992 3.754 0.124 9 0 "[ . 1 . 2]" 1
1166 1 84 ILE HA 1 99 ILE MG 4.630 . 4.630 4.026 3.448 4.657 0.027 10 0 "[ . 1 . 2]" 1
1167 1 84 ILE HB 1 85 LYS H 4.810 . 4.810 4.206 4.053 4.377 . 0 0 "[ . 1 . 2]" 1
1168 1 84 ILE MD 1 84 ILE MG 3.410 . 3.410 3.234 3.193 3.261 . 0 0 "[ . 1 . 2]" 1
1169 1 84 ILE MD 1 99 ILE MG 5.230 . 5.230 3.788 3.333 4.344 . 0 0 "[ . 1 . 2]" 1
1170 1 84 ILE HG12 1 84 ILE MG 3.390 . 3.390 2.259 2.225 2.286 . 0 0 "[ . 1 . 2]" 1
1171 1 84 ILE HG12 1 99 ILE QG 4.510 . 4.510 3.024 2.604 3.549 . 0 0 "[ . 1 . 2]" 1
1172 1 84 ILE HG12 1 99 ILE MG 5.520 . 5.520 4.223 3.432 4.840 . 0 0 "[ . 1 . 2]" 1
1173 1 84 ILE HG13 1 99 ILE MD 4.550 . 4.550 3.764 3.211 4.079 . 0 0 "[ . 1 . 2]" 1
1174 1 84 ILE HG13 1 99 ILE QG 4.280 . 4.280 2.294 1.877 2.899 . 0 0 "[ . 1 . 2]" 1
1175 1 84 ILE HG13 1 100 THR H 5.240 . 5.240 4.400 3.341 5.014 . 0 0 "[ . 1 . 2]" 1
1176 1 84 ILE MG 1 85 LYS H 4.040 . 4.040 2.764 2.533 3.115 . 0 0 "[ . 1 . 2]" 1
1177 1 84 ILE MG 1 86 MET ME 4.180 . 4.180 3.395 2.757 4.264 0.084 19 0 "[ . 1 . 2]" 1
1178 1 84 ILE MG 1 97 LEU HG 4.600 . 4.600 3.781 3.277 4.096 . 0 0 "[ . 1 . 2]" 1
1179 1 84 ILE MG 1 99 ILE MD 3.370 . 3.370 2.369 2.052 2.768 . 0 0 "[ . 1 . 2]" 1
1180 1 84 ILE MG 1 99 ILE QG 3.060 . 3.060 2.460 1.999 3.087 0.027 10 0 "[ . 1 . 2]" 1
1181 1 85 LYS H 1 85 LYS QB 3.890 . 3.890 2.859 2.281 3.220 . 0 0 "[ . 1 . 2]" 1
1182 1 85 LYS H 1 97 LEU HA 5.090 . 5.090 5.093 4.749 5.248 0.158 16 0 "[ . 1 . 2]" 1
1183 1 85 LYS H 1 97 LEU MD1 5.200 . 5.200 3.963 3.445 4.184 . 0 0 "[ . 1 . 2]" 1
1184 1 85 LYS H 1 97 LEU HG 5.780 . 5.780 5.384 4.826 5.944 0.164 6 0 "[ . 1 . 2]" 1
1185 1 85 LYS H 1 98 GLU H 4.530 . 4.530 3.399 3.056 3.620 . 0 0 "[ . 1 . 2]" 1
1186 1 85 LYS H 1 98 GLU QB 4.780 . 4.780 3.623 3.069 4.041 . 0 0 "[ . 1 . 2]" 1
1187 1 85 LYS H 1 99 ILE HA 5.220 . 5.220 3.519 3.137 4.004 . 0 0 "[ . 1 . 2]" 1
1188 1 85 LYS H 1 99 ILE MD 4.250 . 4.250 3.758 3.472 4.175 . 0 0 "[ . 1 . 2]" 1
1189 1 85 LYS QB 1 86 MET H 4.600 . 4.600 2.921 2.294 3.858 . 0 0 "[ . 1 . 2]" 1
1190 1 86 MET H 1 86 MET ME 5.530 . 5.530 4.468 3.797 5.106 . 0 0 "[ . 1 . 2]" 1
1191 1 86 MET H 1 87 SER H 5.550 . 5.550 4.306 4.167 4.408 . 0 0 "[ . 1 . 2]" 1
1192 1 86 MET H 1 87 SER HA 5.180 . 5.180 4.821 4.699 4.960 . 0 0 "[ . 1 . 2]" 1
1193 1 86 MET H 1 97 LEU HA 5.780 . 5.780 5.041 4.891 5.256 . 0 0 "[ . 1 . 2]" 1
1194 1 86 MET H 1 97 LEU MD1 5.130 . 5.130 4.359 4.146 4.607 . 0 0 "[ . 1 . 2]" 1
1195 1 86 MET HA 1 86 MET ME 5.100 . 5.100 4.081 3.838 4.274 . 0 0 "[ . 1 . 2]" 1
1196 1 86 MET HA 1 87 SER H 3.450 . 3.450 2.214 2.088 2.406 . 0 0 "[ . 1 . 2]" 1
1197 1 86 MET HA 1 87 SER QB 5.610 . 5.610 4.060 3.890 4.358 . 0 0 "[ . 1 . 2]" 1
1198 1 86 MET HA 1 95 TYR HB3 5.530 . 5.530 4.516 4.026 5.377 . 0 0 "[ . 1 . 2]" 1
1199 1 86 MET HA 1 97 LEU HA 4.260 . 4.260 2.491 2.347 2.657 . 0 0 "[ . 1 . 2]" 1
1200 1 86 MET HA 1 97 LEU MD1 4.220 . 4.220 3.066 2.613 3.416 . 0 0 "[ . 1 . 2]" 1
1201 1 86 MET HA 1 98 GLU H 5.020 . 5.020 3.256 2.869 3.686 . 0 0 "[ . 1 . 2]" 1
1202 1 86 MET HB2 1 87 SER H 4.300 . 4.300 3.015 2.333 3.817 . 0 0 "[ . 1 . 2]" 1
1203 1 86 MET HB2 1 87 SER HA 4.630 . 4.630 4.547 4.323 4.731 0.101 19 0 "[ . 1 . 2]" 1
1204 1 86 MET HB2 1 95 TYR HB3 5.110 . 5.110 3.348 2.626 5.222 0.112 17 0 "[ . 1 . 2]" 1
1205 1 86 MET HB2 1 97 LEU MD1 4.300 . 4.300 3.393 2.983 4.180 . 0 0 "[ . 1 . 2]" 1
1206 1 86 MET HB3 1 86 MET ME 3.310 . 3.310 2.061 1.933 2.272 . 0 0 "[ . 1 . 2]" 1
1207 1 86 MET HB3 1 87 SER H 4.730 . 4.730 3.820 3.136 4.088 . 0 0 "[ . 1 . 2]" 1
1208 1 86 MET HB3 1 95 TYR HB3 4.750 . 4.750 4.034 3.114 4.698 . 0 0 "[ . 1 . 2]" 1
1209 1 86 MET HB3 1 95 TYR QE 4.730 . 4.730 4.671 2.931 4.880 0.150 13 0 "[ . 1 . 2]" 1
1210 1 86 MET HB3 1 97 LEU MD2 5.210 . 5.210 4.474 3.137 5.292 0.082 10 0 "[ . 1 . 2]" 1
1211 1 86 MET ME 1 87 SER H 5.310 . 5.310 5.194 4.566 5.462 0.152 9 0 "[ . 1 . 2]" 1
1212 1 86 MET ME 1 95 TYR HB3 4.840 . 4.840 4.292 3.252 5.048 0.208 18 0 "[ . 1 . 2]" 1
1213 1 86 MET ME 1 95 TYR QD 4.020 . 4.020 3.708 2.760 4.164 0.144 2 0 "[ . 1 . 2]" 1
1214 1 86 MET ME 1 95 TYR QE 4.730 . 4.730 4.185 2.986 4.882 0.152 13 0 "[ . 1 . 2]" 1
1215 1 86 MET ME 1 97 LEU MD1 4.050 . 4.050 2.006 1.769 2.372 . 0 0 "[ . 1 . 2]" 1
1216 1 86 MET ME 1 97 LEU MD2 4.130 . 4.130 3.547 2.599 4.020 . 0 0 "[ . 1 . 2]" 1
1217 1 86 MET ME 1 97 LEU HG 5.030 . 5.030 4.564 3.847 5.128 0.098 10 0 "[ . 1 . 2]" 1
1218 1 87 SER H 1 95 TYR QD 4.880 . 4.880 3.296 2.652 4.172 . 0 0 "[ . 1 . 2]" 1
1219 1 87 SER H 1 97 LEU MD1 4.530 . 4.530 4.626 4.233 4.752 0.222 13 0 "[ . 1 . 2]" 1
1220 1 87 SER HA 1 88 TYR QB 4.860 . 4.860 4.036 3.864 4.123 . 0 0 "[ . 1 . 2]" 1
1221 1 87 SER QB 1 88 TYR H 4.350 . 4.350 3.515 2.669 3.779 . 0 0 "[ . 1 . 2]" 1
1222 1 87 SER QB 1 88 TYR HA 5.300 . 5.300 4.759 4.332 4.905 . 0 0 "[ . 1 . 2]" 1
1223 1 87 SER HB2 1 88 TYR H 4.950 . 4.950 4.087 3.841 4.247 . 0 0 "[ . 1 . 2]" 1
1224 1 87 SER HB3 1 88 TYR H 4.950 . 4.950 3.881 2.722 4.236 . 0 0 "[ . 1 . 2]" 1
1225 1 88 TYR H 1 89 ASN H 5.050 . 5.050 4.353 4.200 4.525 . 0 0 "[ . 1 . 2]" 1
1226 1 88 TYR HA 1 88 TYR QD 4.190 . 4.190 2.368 2.054 2.751 . 0 0 "[ . 1 . 2]" 1
1227 1 88 TYR HA 1 88 TYR QE 4.690 . 4.690 4.505 4.371 4.680 . 0 0 "[ . 1 . 2]" 1
1228 1 88 TYR HA 1 89 ASN H 3.270 . 3.270 2.183 2.146 2.227 . 0 0 "[ . 1 . 2]" 1
1229 1 88 TYR HA 1 89 ASN QB 5.610 . 5.610 4.461 4.316 4.629 . 0 0 "[ . 1 . 2]" 1
1230 1 88 TYR HA 1 89 ASN QD 5.420 . 5.420 3.747 2.738 4.017 . 0 0 "[ . 1 . 2]" 1
1231 1 88 TYR HA 1 95 TYR HA 4.770 . 4.770 2.781 2.383 3.028 . 0 0 "[ . 1 . 2]" 1
1232 1 88 TYR HA 1 95 TYR QE 5.050 . 5.050 3.999 2.685 4.791 . 0 0 "[ . 1 . 2]" 1
1233 1 88 TYR HA 1 96 VAL H 4.670 . 4.670 3.916 3.606 4.264 . 0 0 "[ . 1 . 2]" 1
1234 1 88 TYR QB 1 89 ASN H 5.260 . 5.260 3.905 3.684 4.015 . 0 0 "[ . 1 . 2]" 1
1235 1 88 TYR QB 1 89 ASN QD 5.610 . 5.610 5.396 4.526 5.611 0.001 11 0 "[ . 1 . 2]" 1
1236 1 88 TYR QB 1 95 TYR QD 4.860 . 4.860 3.968 3.386 4.320 . 0 0 "[ . 1 . 2]" 1
1237 1 88 TYR QB 1 95 TYR QE 3.790 . 3.790 3.030 1.934 3.571 . 0 0 "[ . 1 . 2]" 1
1238 1 88 TYR QD 1 89 ASN H 4.160 . 4.160 3.278 2.620 3.836 . 0 0 "[ . 1 . 2]" 1
1239 1 88 TYR QD 1 90 GLU HA 4.900 . 4.900 3.495 2.929 4.474 . 0 0 "[ . 1 . 2]" 1
1240 1 88 TYR QD 1 90 GLU QG 4.060 . 4.060 3.334 2.040 4.132 0.072 19 0 "[ . 1 . 2]" 1
1241 1 88 TYR QD 1 95 TYR QD 5.780 . 5.780 3.271 2.404 3.772 . 0 0 "[ . 1 . 2]" 1
1242 1 88 TYR QD 1 95 TYR QE 5.510 . 5.510 2.993 2.335 3.678 . 0 0 "[ . 1 . 2]" 1
1243 1 88 TYR QE 1 89 ASN H 4.970 . 4.970 4.617 3.817 5.009 0.039 19 0 "[ . 1 . 2]" 1
1244 1 88 TYR QE 1 90 GLU H 5.220 . 5.220 4.220 3.320 5.075 . 0 0 "[ . 1 . 2]" 1
1245 1 88 TYR QE 1 90 GLU HA 3.390 . 3.390 2.727 2.285 3.151 . 0 0 "[ . 1 . 2]" 1
1246 1 88 TYR QE 1 90 GLU QB 4.360 . 4.360 3.840 3.145 4.340 . 0 0 "[ . 1 . 2]" 1
1247 1 88 TYR QE 1 90 GLU QG 3.990 . 3.990 2.923 1.948 4.110 0.120 12 0 "[ . 1 . 2]" 1
1248 1 88 TYR QE 1 92 THR H 5.780 . 5.780 5.777 5.147 5.987 0.207 16 0 "[ . 1 . 2]" 1
1249 1 88 TYR QE 1 93 GLY H 5.230 . 5.230 4.309 3.605 4.839 . 0 0 "[ . 1 . 2]" 1
1250 1 88 TYR QE 1 93 GLY HA2 4.300 . 4.300 2.563 1.797 3.189 . 0 0 "[ . 1 . 2]" 1
1251 1 88 TYR QE 1 93 GLY HA3 4.300 . 4.300 3.771 3.371 4.227 . 0 0 "[ . 1 . 2]" 1
1252 1 88 TYR QE 1 95 TYR QD 5.050 . 5.050 4.213 3.573 4.945 . 0 0 "[ . 1 . 2]" 1
1253 1 89 ASN H 1 89 ASN HB2 3.990 . 3.990 2.569 2.373 3.736 . 0 0 "[ . 1 . 2]" 1
1254 1 89 ASN H 1 89 ASN HB3 3.990 . 3.990 3.606 3.102 3.659 . 0 0 "[ . 1 . 2]" 1
1255 1 89 ASN H 1 95 TYR HA 4.300 . 4.300 3.274 2.729 4.009 . 0 0 "[ . 1 . 2]" 1
1256 1 89 ASN H 1 96 VAL QG 4.890 . 4.890 4.152 3.631 4.701 . 0 0 "[ . 1 . 2]" 1
1257 1 89 ASN HA 1 89 ASN QD 4.250 . 4.250 3.664 2.726 3.933 . 0 0 "[ . 1 . 2]" 1
1258 1 89 ASN HA 1 91 LEU H 4.670 . 4.670 4.089 3.289 4.751 0.081 9 0 "[ . 1 . 2]" 1
1259 1 89 ASN QB 1 90 GLU H 4.530 . 4.530 3.346 2.722 3.764 . 0 0 "[ . 1 . 2]" 1
1260 1 89 ASN QB 1 91 LEU H 4.670 . 4.670 3.498 2.416 4.108 . 0 0 "[ . 1 . 2]" 1
1261 1 89 ASN QB 1 92 THR H 4.210 . 4.210 3.102 2.582 3.402 . 0 0 "[ . 1 . 2]" 1
1262 1 89 ASN QB 1 93 GLY H 4.330 . 4.330 3.192 2.550 4.022 . 0 0 "[ . 1 . 2]" 1
1263 1 89 ASN QB 1 94 ASP H 4.020 . 4.020 3.047 2.229 4.219 0.199 8 0 "[ . 1 . 2]" 1
1264 1 89 ASN QB 1 96 VAL QG 4.820 . 4.820 4.196 3.617 4.733 . 0 0 "[ . 1 . 2]" 1
1265 1 89 ASN HB2 1 92 THR H 4.790 . 4.790 3.596 3.009 3.914 . 0 0 "[ . 1 . 2]" 1
1266 1 89 ASN HB3 1 92 THR H 4.790 . 4.790 3.465 2.811 4.761 . 0 0 "[ . 1 . 2]" 1
1267 1 89 ASN QD 1 92 THR MG 3.810 . 3.810 3.557 3.101 3.942 0.132 12 0 "[ . 1 . 2]" 1
1268 1 89 ASN QD 1 95 TYR HA 4.810 . 4.810 2.997 2.399 4.220 . 0 0 "[ . 1 . 2]" 1
1269 1 89 ASN HD21 1 92 THR MG 4.370 . 4.370 3.812 3.327 4.397 0.027 12 0 "[ . 1 . 2]" 1
1270 1 89 ASN HD21 1 96 VAL QG 4.190 . 4.190 3.092 2.526 3.790 . 0 0 "[ . 1 . 2]" 1
1271 1 89 ASN HD22 1 92 THR MG 4.370 . 4.370 4.381 3.192 4.542 0.172 9 0 "[ . 1 . 2]" 1
1272 1 89 ASN HD22 1 96 VAL QG 4.190 . 4.190 1.990 1.464 3.523 . 0 0 "[ . 1 . 2]" 1
1273 1 90 GLU H 1 90 GLU QB 3.530 . 3.530 2.717 2.207 3.398 . 0 0 "[ . 1 . 2]" 1
1274 1 90 GLU H 1 90 GLU QG 4.180 . 4.180 3.407 2.026 4.257 0.077 10 0 "[ . 1 . 2]" 1
1275 1 90 GLU H 1 91 LEU H 4.030 . 4.030 3.183 2.480 4.031 0.001 9 0 "[ . 1 . 2]" 1
1276 1 90 GLU H 1 92 THR H 5.090 . 5.090 4.353 3.799 4.918 . 0 0 "[ . 1 . 2]" 1
1277 1 90 GLU HA 1 90 GLU QG 3.800 . 3.800 2.512 2.408 2.831 . 0 0 "[ . 1 . 2]" 1
1278 1 90 GLU HA 1 91 LEU HG 5.440 . 5.440 5.312 5.149 5.465 0.025 18 0 "[ . 1 . 2]" 1
1279 1 90 GLU HA 1 92 THR H 5.580 . 5.580 4.413 3.855 5.105 . 0 0 "[ . 1 . 2]" 1
1280 1 90 GLU QB 1 91 LEU H 4.290 . 4.290 2.705 2.018 3.497 . 0 0 "[ . 1 . 2]" 1
1281 1 90 GLU QG 1 91 LEU H 4.830 . 4.830 3.911 2.985 4.733 . 0 0 "[ . 1 . 2]" 1
1282 1 91 LEU H 1 91 LEU HB2 4.160 . 4.160 2.510 2.381 2.617 . 0 0 "[ . 1 . 2]" 1
1283 1 91 LEU H 1 91 LEU QB 3.350 . 3.350 2.466 2.350 2.556 . 0 0 "[ . 1 . 2]" 1
1284 1 91 LEU H 1 91 LEU HB3 4.160 . 4.160 3.613 3.570 3.709 . 0 0 "[ . 1 . 2]" 1
1285 1 91 LEU H 1 91 LEU MD2 4.620 . 4.620 3.284 2.925 3.613 . 0 0 "[ . 1 . 2]" 1
1286 1 91 LEU H 1 91 LEU HG 3.690 . 3.690 2.358 2.067 2.744 . 0 0 "[ . 1 . 2]" 1
1287 1 91 LEU H 1 92 THR H 3.660 . 3.660 2.543 2.314 2.669 . 0 0 "[ . 1 . 2]" 1
1288 1 91 LEU H 1 92 THR HA 5.080 . 5.080 5.217 5.048 5.325 0.245 16 0 "[ . 1 . 2]" 1
1289 1 91 LEU HA 1 91 LEU MD2 3.270 . 3.270 2.114 2.006 2.210 . 0 0 "[ . 1 . 2]" 1
1290 1 91 LEU HA 1 91 LEU HG 3.860 . 3.860 3.234 3.065 3.352 . 0 0 "[ . 1 . 2]" 1
1291 1 91 LEU QB 1 92 THR MG 4.910 . 4.910 3.528 2.666 4.973 0.063 9 0 "[ . 1 . 2]" 1
1292 1 91 LEU HB2 1 92 THR H 4.110 . 4.110 3.001 2.368 3.461 . 0 0 "[ . 1 . 2]" 1
1293 1 91 LEU HB3 1 92 THR H 4.110 . 4.110 3.975 3.447 4.228 0.118 11 0 "[ . 1 . 2]" 1
1294 1 91 LEU MD1 1 92 THR H 5.220 . 5.220 4.878 4.382 5.247 0.027 14 0 "[ . 1 . 2]" 1
1295 1 91 LEU HG 1 92 THR H 5.020 . 5.020 4.475 4.118 4.826 . 0 0 "[ . 1 . 2]" 1
1296 1 92 THR H 1 92 THR MG 3.720 . 3.720 2.312 1.984 3.808 0.088 9 0 "[ . 1 . 2]" 1
1297 1 92 THR H 1 93 GLY H 3.420 . 3.420 2.125 1.831 2.451 . 0 0 "[ . 1 . 2]" 1
1298 1 92 THR H 1 93 GLY QA 4.610 . 4.610 4.031 3.808 4.342 . 0 0 "[ . 1 . 2]" 1
1299 1 92 THR HA 1 92 THR MG 3.370 . 3.370 3.147 2.416 3.277 . 0 0 "[ . 1 . 2]" 1
1300 1 92 THR MG 1 93 GLY H 4.870 . 4.870 2.785 2.014 3.897 . 0 0 "[ . 1 . 2]" 1
1301 1 92 THR MG 1 93 GLY QA 4.980 . 4.980 3.984 3.585 5.070 0.090 10 0 "[ . 1 . 2]" 1
1302 1 92 THR MG 1 94 ASP H 4.850 . 4.850 2.388 1.699 3.981 . 0 0 "[ . 1 . 2]" 1
1303 1 93 GLY H 1 94 ASP H 3.510 . 3.510 2.666 2.114 3.268 . 0 0 "[ . 1 . 2]" 1
1304 1 93 GLY QA 1 94 ASP QB 5.440 . 5.440 4.647 4.240 4.754 . 0 0 "[ . 1 . 2]" 1
1305 1 94 ASP H 1 94 ASP HB2 4.220 . 4.220 2.837 2.397 4.075 . 0 0 "[ . 1 . 2]" 1
1306 1 94 ASP H 1 94 ASP HB3 4.220 . 4.220 3.477 2.630 3.750 . 0 0 "[ . 1 . 2]" 1
1307 1 94 ASP H 1 95 TYR H 5.780 . 5.780 4.575 4.393 4.689 . 0 0 "[ . 1 . 2]" 1
1308 1 94 ASP HB2 1 95 TYR H 4.250 . 4.250 3.289 2.159 4.166 . 0 0 "[ . 1 . 2]" 1
1309 1 94 ASP HB3 1 95 TYR H 4.250 . 4.250 2.790 2.134 3.855 . 0 0 "[ . 1 . 2]" 1
1310 1 95 TYR H 1 95 TYR HB2 3.980 . 3.980 2.452 2.308 2.741 . 0 0 "[ . 1 . 2]" 1
1311 1 95 TYR H 1 95 TYR QD 4.040 . 4.040 3.214 2.716 3.991 . 0 0 "[ . 1 . 2]" 1
1312 1 95 TYR H 1 96 VAL H 5.020 . 5.020 4.393 4.174 4.483 . 0 0 "[ . 1 . 2]" 1
1313 1 95 TYR H 1 96 VAL QG 5.780 . 5.780 5.045 4.561 5.541 . 0 0 "[ . 1 . 2]" 1
1314 1 95 TYR HA 1 96 VAL H 3.370 . 3.370 2.174 2.116 2.208 . 0 0 "[ . 1 . 2]" 1
1315 1 95 TYR HA 1 96 VAL HB 5.180 . 5.180 4.714 4.516 4.963 . 0 0 "[ . 1 . 2]" 1
1316 1 95 TYR HB2 1 96 VAL H 4.790 . 4.790 4.450 4.188 4.601 . 0 0 "[ . 1 . 2]" 1
1317 1 95 TYR HB2 1 97 LEU MD2 5.780 . 5.780 5.191 4.140 5.874 0.094 7 0 "[ . 1 . 2]" 1
1318 1 95 TYR HB3 1 96 VAL H 4.290 . 4.290 3.485 3.019 3.733 . 0 0 "[ . 1 . 2]" 1
1319 1 95 TYR HB3 1 97 LEU H 5.780 . 5.780 4.362 3.901 4.962 . 0 0 "[ . 1 . 2]" 1
1320 1 95 TYR HB3 1 97 LEU MD1 4.360 . 4.360 4.108 3.643 4.649 0.289 6 0 "[ . 1 . 2]" 1
1321 1 96 VAL H 1 96 VAL HB 3.770 . 3.770 2.627 2.424 3.054 . 0 0 "[ . 1 . 2]" 1
1322 1 96 VAL H 1 96 VAL QG 3.610 . 3.610 2.245 1.913 2.685 . 0 0 "[ . 1 . 2]" 1
1323 1 96 VAL HA 1 96 VAL QG 3.040 . 3.040 2.235 2.189 2.434 . 0 0 "[ . 1 . 2]" 1
1324 1 96 VAL HA 1 97 LEU H 3.330 . 3.330 2.179 2.093 2.227 . 0 0 "[ . 1 . 2]" 1
1325 1 96 VAL HA 1 97 LEU HA 5.780 . 5.780 4.491 4.443 4.523 . 0 0 "[ . 1 . 2]" 1
1326 1 96 VAL HA 1 97 LEU HB2 4.790 . 4.790 4.531 4.230 4.716 . 0 0 "[ . 1 . 2]" 1
1327 1 96 VAL QG 1 97 LEU H 3.560 . 3.560 3.134 2.701 3.320 . 0 0 "[ . 1 . 2]" 1
1328 1 96 VAL QG 1 98 GLU H 4.680 . 4.680 4.235 3.851 4.574 . 0 0 "[ . 1 . 2]" 1
1329 1 96 VAL QG 1 98 GLU HA 4.800 . 4.800 4.418 4.098 4.892 0.092 10 0 "[ . 1 . 2]" 1
1330 1 96 VAL QG 1 98 GLU QG 3.830 . 3.830 3.182 2.007 4.116 0.286 1 0 "[ . 1 . 2]" 1
1331 1 97 LEU H 1 97 LEU HB2 4.110 . 4.110 2.715 2.367 2.857 . 0 0 "[ . 1 . 2]" 1
1332 1 97 LEU H 1 97 LEU HB3 4.180 . 4.180 2.562 2.417 3.576 . 0 0 "[ . 1 . 2]" 1
1333 1 97 LEU H 1 97 LEU MD1 4.490 . 4.490 4.242 4.011 4.313 . 0 0 "[ . 1 . 2]" 1
1334 1 97 LEU H 1 97 LEU MD2 4.490 . 4.490 4.308 2.916 4.435 . 0 0 "[ . 1 . 2]" 1
1335 1 97 LEU H 1 97 LEU HG 5.230 . 5.230 4.495 4.431 4.573 . 0 0 "[ . 1 . 2]" 1
1336 1 97 LEU HA 1 97 LEU MD1 3.890 . 3.890 2.063 1.932 2.159 . 0 0 "[ . 1 . 2]" 1
1337 1 97 LEU HA 1 97 LEU MD2 4.630 . 4.630 3.877 2.863 3.956 . 0 0 "[ . 1 . 2]" 1
1338 1 97 LEU HA 1 98 GLU H 3.360 . 3.360 2.189 2.142 2.289 . 0 0 "[ . 1 . 2]" 1
1339 1 97 LEU HB2 1 97 LEU MD2 3.630 . 3.630 2.439 2.334 2.514 . 0 0 "[ . 1 . 2]" 1
1340 1 97 LEU HB3 1 97 LEU MD2 3.630 . 3.630 2.402 2.321 3.230 . 0 0 "[ . 1 . 2]" 1
1341 1 97 LEU HB3 1 98 GLU H 5.020 . 5.020 4.222 2.715 4.419 . 0 0 "[ . 1 . 2]" 1
1342 1 97 LEU MD1 1 98 GLU H 4.030 . 4.030 2.722 2.422 2.919 . 0 0 "[ . 1 . 2]" 1
1343 1 97 LEU HG 1 98 GLU H 4.320 . 4.320 3.513 2.890 4.397 0.077 6 0 "[ . 1 . 2]" 1
1344 1 97 LEU HG 1 99 ILE QG 5.610 . 5.610 4.160 3.893 4.703 . 0 0 "[ . 1 . 2]" 1
1345 1 98 GLU H 1 98 GLU QB 3.740 . 3.740 2.569 2.362 2.792 . 0 0 "[ . 1 . 2]" 1
1346 1 98 GLU H 1 98 GLU QG 4.170 . 4.170 3.654 2.627 4.323 0.153 12 0 "[ . 1 . 2]" 1
1347 1 98 GLU H 1 99 ILE MD 4.920 . 4.920 3.320 2.713 3.573 . 0 0 "[ . 1 . 2]" 1
1348 1 98 GLU HA 1 98 GLU QG 3.870 . 3.870 2.443 2.284 2.582 . 0 0 "[ . 1 . 2]" 1
1349 1 98 GLU HA 1 99 ILE H 3.430 . 3.430 2.184 2.133 2.249 . 0 0 "[ . 1 . 2]" 1
1350 1 98 GLU HA 1 99 ILE HB 4.960 . 4.960 4.562 4.391 4.696 . 0 0 "[ . 1 . 2]" 1
1351 1 98 GLU HA 1 99 ILE MD 4.890 . 4.890 3.483 3.282 3.779 . 0 0 "[ . 1 . 2]" 1
1352 1 98 GLU QB 1 99 ILE H 4.530 . 4.530 3.800 3.350 4.001 . 0 0 "[ . 1 . 2]" 1
1353 1 98 GLU QG 1 99 ILE H 4.580 . 4.580 3.921 3.276 4.607 0.027 18 0 "[ . 1 . 2]" 1
1354 1 99 ILE H 1 99 ILE HB 3.830 . 3.830 2.421 2.333 2.507 . 0 0 "[ . 1 . 2]" 1
1355 1 99 ILE H 1 99 ILE MD 4.850 . 4.850 2.513 2.311 2.683 . 0 0 "[ . 1 . 2]" 1
1356 1 99 ILE H 1 99 ILE HG12 4.840 . 4.840 4.278 4.170 4.413 . 0 0 "[ . 1 . 2]" 1
1357 1 99 ILE H 1 99 ILE HG13 4.840 . 4.840 4.043 3.866 4.235 . 0 0 "[ . 1 . 2]" 1
1358 1 99 ILE H 1 99 ILE MG 4.570 . 4.570 3.761 3.679 3.822 . 0 0 "[ . 1 . 2]" 1
1359 1 99 ILE HA 1 99 ILE MD 3.540 . 3.540 2.826 2.531 3.012 . 0 0 "[ . 1 . 2]" 1
1360 1 99 ILE HA 1 99 ILE MG 3.650 . 3.650 2.644 2.528 2.754 . 0 0 "[ . 1 . 2]" 1
1361 1 99 ILE HA 1 100 THR H 3.430 . 3.430 2.186 2.097 2.238 . 0 0 "[ . 1 . 2]" 1
1362 1 99 ILE HB 1 100 THR HA 5.780 . 5.780 5.279 5.042 5.457 . 0 0 "[ . 1 . 2]" 1
1363 1 99 ILE MD 1 99 ILE MG 3.450 . 3.450 3.300 3.277 3.316 . 0 0 "[ . 1 . 2]" 1
1364 1 99 ILE MD 1 100 THR H 5.170 . 5.170 4.698 4.405 4.873 . 0 0 "[ . 1 . 2]" 1
1365 1 99 ILE MG 1 100 THR H 3.850 . 3.850 3.081 2.627 3.226 . 0 0 "[ . 1 . 2]" 1
1366 1 99 ILE MG 1 100 THR HA 4.990 . 4.990 3.847 3.473 4.011 . 0 0 "[ . 1 . 2]" 1
1367 1 99 ILE MG 1 101 ASP H 5.350 . 5.350 3.523 2.913 4.000 . 0 0 "[ . 1 . 2]" 1
1368 1 99 ILE MG 1 101 ASP HB2 4.610 . 4.610 2.752 2.288 3.894 . 0 0 "[ . 1 . 2]" 1
1369 1 99 ILE MG 1 101 ASP QB 3.910 . 3.910 2.599 2.240 2.949 . 0 0 "[ . 1 . 2]" 1
1370 1 99 ILE MG 1 101 ASP HB3 4.610 . 4.610 3.495 2.443 3.818 . 0 0 "[ . 1 . 2]" 1
1371 1 100 THR HA 1 100 THR MG 3.660 . 3.660 2.499 2.434 2.566 . 0 0 "[ . 1 . 2]" 1
1372 1 100 THR HA 1 101 ASP H 3.400 . 3.400 2.154 2.078 2.185 . 0 0 "[ . 1 . 2]" 1
1373 1 100 THR HB 1 101 ASP H 5.050 . 5.050 4.427 4.279 4.499 . 0 0 "[ . 1 . 2]" 1
1374 1 100 THR MG 1 101 ASP H 3.770 . 3.770 3.235 2.833 3.419 . 0 0 "[ . 1 . 2]" 1
1375 1 100 THR MG 1 101 ASP HA 4.730 . 4.730 3.878 3.601 4.090 . 0 0 "[ . 1 . 2]" 1
1376 1 100 THR MG 1 102 PHE H 5.780 . 5.780 5.107 4.887 5.502 . 0 0 "[ . 1 . 2]" 1
1377 1 101 ASP HA 1 102 PHE QD 4.230 . 4.230 3.439 2.835 4.300 0.070 16 0 "[ . 1 . 2]" 1
1378 1 101 ASP QB 1 102 PHE H 4.010 . 4.010 3.397 2.210 3.588 . 0 0 "[ . 1 . 2]" 1
1379 1 101 ASP QB 1 111 LEU QD 4.140 . 4.140 3.651 3.107 4.215 0.075 5 0 "[ . 1 . 2]" 1
1380 1 101 ASP HB2 1 102 PHE H 4.600 . 4.600 3.874 2.228 4.184 . 0 0 "[ . 1 . 2]" 1
1381 1 101 ASP HB3 1 102 PHE H 4.600 . 4.600 3.811 3.662 3.973 . 0 0 "[ . 1 . 2]" 1
1382 1 102 PHE H 1 102 PHE QB 3.730 . 3.730 2.721 2.405 3.067 . 0 0 "[ . 1 . 2]" 1
1383 1 102 PHE H 1 102 PHE QD 4.060 . 4.060 2.559 1.829 3.477 . 0 0 "[ . 1 . 2]" 1
1384 1 102 PHE H 1 111 LEU QD 5.780 . 5.780 5.603 5.121 5.925 0.145 11 0 "[ . 1 . 2]" 1
1385 1 102 PHE HA 1 103 SER H 3.350 . 3.350 2.159 2.071 2.226 . 0 0 "[ . 1 . 2]" 1
1386 1 102 PHE QB 1 103 SER H 4.320 . 4.320 3.389 3.149 3.585 . 0 0 "[ . 1 . 2]" 1
1387 1 102 PHE HB2 1 103 SER H 5.160 . 5.160 3.986 3.250 4.571 . 0 0 "[ . 1 . 2]" 1
1388 1 102 PHE HB3 1 103 SER H 5.160 . 5.160 3.921 3.513 4.406 . 0 0 "[ . 1 . 2]" 1
1389 1 102 PHE QD 1 103 SER H 5.230 . 5.230 4.517 4.238 4.776 . 0 0 "[ . 1 . 2]" 1
1390 1 103 SER H 1 103 SER HB2 4.370 . 4.370 2.881 2.484 3.824 . 0 0 "[ . 1 . 2]" 1
1391 1 103 SER H 1 103 SER HB3 4.370 . 4.370 3.790 3.095 3.952 . 0 0 "[ . 1 . 2]" 1
1392 1 103 SER HA 1 104 GLU H 3.300 . 3.300 2.218 2.121 2.402 . 0 0 "[ . 1 . 2]" 1
1393 1 103 SER HA 1 104 GLU QG 5.610 . 5.610 4.246 3.521 5.708 0.098 5 0 "[ . 1 . 2]" 1
1394 1 103 SER QB 1 104 GLU H 4.220 . 4.220 3.007 2.622 3.305 . 0 0 "[ . 1 . 2]" 1
1395 1 103 SER QB 1 107 GLU H 5.310 . 5.310 4.304 3.856 4.957 . 0 0 "[ . 1 . 2]" 1
1396 1 103 SER QB 1 108 ALA HA 3.760 . 3.760 2.777 2.117 3.581 . 0 0 "[ . 1 . 2]" 1
1397 1 103 SER QB 1 108 ALA MB 4.360 . 4.360 2.979 2.141 3.997 . 0 0 "[ . 1 . 2]" 1
1398 1 103 SER QB 1 111 LEU HG 4.060 . 4.060 3.199 1.783 4.168 0.108 10 0 "[ . 1 . 2]" 1
1399 1 103 SER HB2 1 108 ALA HA 4.380 . 4.380 3.083 2.147 3.799 . 0 0 "[ . 1 . 2]" 1
1400 1 103 SER HB2 1 111 LEU QD 5.030 . 5.030 3.372 2.268 4.488 . 0 0 "[ . 1 . 2]" 1
1401 1 103 SER HB2 1 111 LEU HG 4.630 . 4.630 3.584 2.957 4.670 0.040 12 0 "[ . 1 . 2]" 1
1402 1 103 SER HB3 1 108 ALA HA 4.380 . 4.380 3.299 2.151 4.423 0.043 2 0 "[ . 1 . 2]" 1
1403 1 103 SER HB3 1 111 LEU QD 5.030 . 5.030 3.193 2.605 4.813 . 0 0 "[ . 1 . 2]" 1
1404 1 103 SER HB3 1 111 LEU HG 4.630 . 4.630 3.791 1.797 4.718 0.088 10 0 "[ . 1 . 2]" 1
1405 1 104 GLU H 1 104 GLU HG2 4.260 . 4.260 3.073 1.822 4.518 0.258 2 0 "[ . 1 . 2]" 1
1406 1 104 GLU H 1 104 GLU HG3 4.260 . 4.260 3.201 1.918 4.466 0.206 5 0 "[ . 1 . 2]" 1
1407 1 104 GLU H 1 107 GLU QB 5.610 . 5.610 3.410 2.218 5.139 . 0 0 "[ . 1 . 2]" 1
1408 1 104 GLU H 1 107 GLU QG 5.300 . 5.300 3.354 2.269 4.678 . 0 0 "[ . 1 . 2]" 1
1409 1 104 GLU HA 1 104 GLU QG 3.780 . 3.780 2.743 2.304 3.560 . 0 0 "[ . 1 . 2]" 1
1410 1 104 GLU QB 1 105 ALA H 4.910 . 4.910 2.849 2.237 3.467 . 0 0 "[ . 1 . 2]" 1
1411 1 105 ALA HA 1 107 GLU H 4.850 . 4.850 4.077 3.534 4.435 . 0 0 "[ . 1 . 2]" 1
1412 1 105 ALA HA 1 108 ALA H 4.050 . 4.050 3.416 2.829 3.828 . 0 0 "[ . 1 . 2]" 1
1413 1 105 ALA MB 1 106 ASP H 3.850 . 3.850 2.637 2.432 2.978 . 0 0 "[ . 1 . 2]" 1
1414 1 105 ALA MB 1 106 ASP HA 4.470 . 4.470 3.966 3.848 4.131 . 0 0 "[ . 1 . 2]" 1
1415 1 105 ALA MB 1 106 ASP QB 4.650 . 4.650 4.209 3.638 4.727 0.077 6 0 "[ . 1 . 2]" 1
1416 1 105 ALA MB 1 107 GLU H 4.850 . 4.850 4.455 4.278 4.626 . 0 0 "[ . 1 . 2]" 1
1417 1 105 ALA MB 1 108 ALA H 4.670 . 4.670 4.573 4.245 4.774 0.104 17 0 "[ . 1 . 2]" 1
1418 1 106 ASP H 1 106 ASP QB 3.790 . 3.790 2.390 2.185 2.589 . 0 0 "[ . 1 . 2]" 1
1419 1 106 ASP H 1 107 GLU H 4.060 . 4.060 2.694 2.545 2.792 . 0 0 "[ . 1 . 2]" 1
1420 1 106 ASP H 1 107 GLU QG 4.690 . 4.690 4.101 3.433 4.711 0.021 12 0 "[ . 1 . 2]" 1
1421 1 106 ASP HA 1 108 ALA H 4.820 . 4.820 4.382 4.054 4.687 . 0 0 "[ . 1 . 2]" 1
1422 1 106 ASP QB 1 107 GLU H 4.540 . 4.540 2.948 2.603 3.273 . 0 0 "[ . 1 . 2]" 1
1423 1 107 GLU H 1 107 GLU QB 3.580 . 3.580 2.629 2.418 3.127 . 0 0 "[ . 1 . 2]" 1
1424 1 107 GLU H 1 107 GLU QG 3.810 . 3.810 2.449 1.939 2.895 . 0 0 "[ . 1 . 2]" 1
1425 1 107 GLU H 1 108 ALA HA 5.530 . 5.530 4.672 4.348 4.982 . 0 0 "[ . 1 . 2]" 1
1426 1 107 GLU H 1 108 ALA MB 4.390 . 4.390 3.795 3.551 4.024 . 0 0 "[ . 1 . 2]" 1
1427 1 107 GLU HA 1 107 GLU QG 3.610 . 3.610 3.009 2.530 3.388 . 0 0 "[ . 1 . 2]" 1
1428 1 107 GLU QG 1 108 ALA H 4.920 . 4.920 3.912 2.957 4.376 . 0 0 "[ . 1 . 2]" 1
1429 1 108 ALA H 1 108 ALA MB 3.030 . 3.030 2.265 2.244 2.284 . 0 0 "[ . 1 . 2]" 1
1430 1 108 ALA H 1 109 ASP H 3.730 . 3.730 2.660 2.462 2.932 . 0 0 "[ . 1 . 2]" 1
1431 1 108 ALA H 1 110 ASP H 4.730 . 4.730 4.330 4.059 4.741 0.011 6 0 "[ . 1 . 2]" 1
1432 1 108 ALA HA 1 110 ASP H 5.080 . 5.080 4.293 4.023 4.583 . 0 0 "[ . 1 . 2]" 1
1433 1 108 ALA HA 1 111 LEU H 4.790 . 4.790 3.342 3.043 3.639 . 0 0 "[ . 1 . 2]" 1
1434 1 108 ALA HA 1 111 LEU HB2 4.030 . 4.030 2.512 2.113 3.200 . 0 0 "[ . 1 . 2]" 1
1435 1 108 ALA HA 1 111 LEU HB3 4.060 . 4.060 3.909 3.092 4.157 0.097 15 0 "[ . 1 . 2]" 1
1436 1 108 ALA HA 1 111 LEU QD 4.990 . 4.990 2.957 2.271 4.413 . 0 0 "[ . 1 . 2]" 1
1437 1 108 ALA HA 1 111 LEU HG 4.770 . 4.770 3.733 3.090 4.543 . 0 0 "[ . 1 . 2]" 1
1438 1 108 ALA MB 1 109 ASP H 3.530 . 3.530 2.728 2.411 2.902 . 0 0 "[ . 1 . 2]" 1
1439 1 108 ALA MB 1 109 ASP HA 4.340 . 4.340 3.973 3.801 4.095 . 0 0 "[ . 1 . 2]" 1
1440 1 108 ALA MB 1 111 LEU HB3 5.010 . 5.010 4.772 4.184 5.082 0.072 2 0 "[ . 1 . 2]" 1
1441 1 108 ALA MB 1 112 LYS QE 4.820 . 4.820 3.334 2.272 4.334 . 0 0 "[ . 1 . 2]" 1
1442 1 109 ASP H 1 109 ASP QB 3.220 . 3.220 2.386 2.198 2.574 . 0 0 "[ . 1 . 2]" 1
1443 1 109 ASP H 1 110 ASP H 3.570 . 3.570 2.773 2.632 2.948 . 0 0 "[ . 1 . 2]" 1
1444 1 109 ASP HA 1 112 LYS H 5.090 . 5.090 3.543 3.275 4.061 . 0 0 "[ . 1 . 2]" 1
1445 1 109 ASP HA 1 112 LYS QB 4.170 . 4.170 2.796 2.247 3.572 . 0 0 "[ . 1 . 2]" 1
1446 1 109 ASP HA 1 112 LYS QG 5.610 . 5.610 3.297 2.361 5.288 . 0 0 "[ . 1 . 2]" 1
1447 1 109 ASP QB 1 110 ASP H 3.740 . 3.740 2.690 2.436 3.511 . 0 0 "[ . 1 . 2]" 1
1448 1 110 ASP H 1 110 ASP HB2 4.050 . 4.050 2.604 2.468 3.672 . 0 0 "[ . 1 . 2]" 1
1449 1 110 ASP H 1 110 ASP QB 3.520 . 3.520 2.405 2.238 2.672 . 0 0 "[ . 1 . 2]" 1
1450 1 110 ASP H 1 110 ASP HB3 4.050 . 4.050 3.134 2.451 3.644 . 0 0 "[ . 1 . 2]" 1
1451 1 110 ASP HA 1 113 GLU H 4.150 . 4.150 3.466 2.956 3.690 . 0 0 "[ . 1 . 2]" 1
1452 1 110 ASP HA 1 113 GLU QB 3.870 . 3.870 2.712 2.052 3.898 0.028 9 0 "[ . 1 . 2]" 1
1453 1 110 ASP HA 1 113 GLU QG 4.480 . 4.480 3.734 1.969 4.658 0.178 12 0 "[ . 1 . 2]" 1
1454 1 110 ASP QB 1 111 LEU H 3.650 . 3.650 2.658 2.463 3.676 0.026 6 0 "[ . 1 . 2]" 1
1455 1 110 ASP HB2 1 111 LEU H 4.230 . 4.230 3.237 2.534 4.047 . 0 0 "[ . 1 . 2]" 1
1456 1 110 ASP HB3 1 111 LEU H 4.230 . 4.230 3.319 2.494 4.217 . 0 0 "[ . 1 . 2]" 1
1457 1 111 LEU H 1 111 LEU HB2 3.660 . 3.660 2.270 2.206 2.406 . 0 0 "[ . 1 . 2]" 1
1458 1 111 LEU H 1 111 LEU HB3 3.620 . 3.620 3.480 2.820 3.600 . 0 0 "[ . 1 . 2]" 1
1459 1 111 LEU H 1 111 LEU QD 4.850 . 4.850 2.569 2.172 3.609 . 0 0 "[ . 1 . 2]" 1
1460 1 111 LEU H 1 111 LEU HG 4.680 . 4.680 3.870 2.495 4.601 . 0 0 "[ . 1 . 2]" 1
1461 1 111 LEU H 1 112 LYS H 3.620 . 3.620 2.704 2.554 2.838 . 0 0 "[ . 1 . 2]" 1
1462 1 111 LEU HA 1 111 LEU QD 3.700 . 3.700 1.985 1.908 2.047 . 0 0 "[ . 1 . 2]" 1
1463 1 111 LEU HA 1 114 LEU H 4.240 . 4.240 3.495 3.074 3.817 . 0 0 "[ . 1 . 2]" 1
1464 1 111 LEU HA 1 114 LEU HB2 4.770 . 4.770 3.278 2.457 3.819 . 0 0 "[ . 1 . 2]" 1
1465 1 111 LEU HA 1 114 LEU QB 4.000 . 4.000 2.602 2.175 3.006 . 0 0 "[ . 1 . 2]" 1
1466 1 111 LEU HA 1 114 LEU HB3 4.770 . 4.770 2.876 2.265 4.485 . 0 0 "[ . 1 . 2]" 1
1467 1 111 LEU HA 1 114 LEU MD1 5.120 . 5.120 4.555 2.132 5.167 0.047 17 0 "[ . 1 . 2]" 1
1468 1 111 LEU HA 1 114 LEU QD 4.460 . 4.460 3.122 1.774 3.782 . 0 0 "[ . 1 . 2]" 1
1469 1 111 LEU HA 1 114 LEU MD2 5.120 . 5.120 3.435 1.775 4.967 . 0 0 "[ . 1 . 2]" 1
1470 1 111 LEU HB2 1 112 LYS H 4.650 . 4.650 2.901 2.519 3.758 . 0 0 "[ . 1 . 2]" 1
1471 1 111 LEU HB3 1 112 LYS H 3.330 . 3.330 3.341 2.844 3.545 0.215 10 0 "[ . 1 . 2]" 1
1472 1 111 LEU HB3 1 112 LYS HA 4.270 . 4.270 4.287 4.053 4.426 0.156 10 0 "[ . 1 . 2]" 1
1473 1 111 LEU HB3 1 112 LYS QG 4.560 . 4.560 4.200 3.609 4.737 0.177 10 0 "[ . 1 . 2]" 1
1474 1 111 LEU QD 1 112 LYS QG 5.070 . 5.070 4.835 4.067 5.384 0.314 13 0 "[ . 1 . 2]" 1
1475 1 112 LYS H 1 112 LYS QB 3.750 . 3.750 2.460 2.265 2.645 . 0 0 "[ . 1 . 2]" 1
1476 1 112 LYS H 1 112 LYS QD 4.550 . 4.550 3.435 2.174 4.171 . 0 0 "[ . 1 . 2]" 1
1477 1 112 LYS H 1 112 LYS QE 4.820 . 4.820 4.326 3.276 4.919 0.099 16 0 "[ . 1 . 2]" 1
1478 1 112 LYS H 1 112 LYS QG 3.520 . 3.520 2.467 2.079 3.512 . 0 0 "[ . 1 . 2]" 1
1479 1 112 LYS H 1 113 GLU H 3.680 . 3.680 2.652 2.534 2.828 . 0 0 "[ . 1 . 2]" 1
1480 1 112 LYS HA 1 112 LYS QD 4.350 . 4.350 2.328 1.803 4.088 . 0 0 "[ . 1 . 2]" 1
1481 1 112 LYS HA 1 112 LYS QE 4.980 . 4.980 3.971 1.921 4.734 . 0 0 "[ . 1 . 2]" 1
1482 1 112 LYS HA 1 115 TRP H 4.370 . 4.370 3.413 2.869 4.000 . 0 0 "[ . 1 . 2]" 1
1483 1 112 LYS HA 1 115 TRP QB 4.450 . 4.450 2.592 1.854 4.360 . 0 0 "[ . 1 . 2]" 1
1484 1 112 LYS QB 1 113 GLU H 3.690 . 3.690 2.722 2.433 2.924 . 0 0 "[ . 1 . 2]" 1
1485 1 112 LYS HB2 1 113 GLU H 4.240 . 4.240 2.801 2.483 3.044 . 0 0 "[ . 1 . 2]" 1
1486 1 112 LYS HB3 1 113 GLU H 4.240 . 4.240 3.738 3.490 3.940 . 0 0 "[ . 1 . 2]" 1
1487 1 112 LYS QE 1 112 LYS HG2 3.460 . 3.460 2.581 2.324 3.157 . 0 0 "[ . 1 . 2]" 1
1488 1 112 LYS QE 1 112 LYS QG 2.540 . 2.540 2.370 2.188 2.453 . 0 0 "[ . 1 . 2]" 1
1489 1 112 LYS QE 1 112 LYS HG3 3.460 . 3.460 2.871 2.437 3.324 . 0 0 "[ . 1 . 2]" 1
1490 1 112 LYS QG 1 113 GLU H 4.960 . 4.960 4.237 3.871 4.735 . 0 0 "[ . 1 . 2]" 1
1491 1 113 GLU H 1 113 GLU QB 3.140 . 3.140 2.318 2.213 2.642 . 0 0 "[ . 1 . 2]" 1
1492 1 113 GLU H 1 113 GLU QG 4.350 . 4.350 3.547 2.260 4.089 . 0 0 "[ . 1 . 2]" 1
1493 1 113 GLU HA 1 113 GLU QG 3.770 . 3.770 2.841 2.372 3.572 . 0 0 "[ . 1 . 2]" 1
1494 1 113 GLU HA 1 116 ASP H 3.890 . 3.890 3.495 2.926 3.978 0.088 17 0 "[ . 1 . 2]" 1
1495 1 113 GLU HA 1 116 ASP HB2 4.280 . 4.280 3.459 2.343 4.281 0.001 17 0 "[ . 1 . 2]" 1
1496 1 113 GLU HA 1 116 ASP QB 3.550 . 3.550 2.725 2.194 3.380 . 0 0 "[ . 1 . 2]" 1
1497 1 113 GLU HA 1 116 ASP HB3 4.280 . 4.280 3.132 2.246 4.386 0.106 8 0 "[ . 1 . 2]" 1
1498 1 113 GLU QG 1 114 LEU H 5.550 . 5.550 3.765 2.622 4.430 . 0 0 "[ . 1 . 2]" 1
1499 1 114 LEU H 1 114 LEU HB2 3.720 . 3.720 2.492 2.259 2.607 . 0 0 "[ . 1 . 2]" 1
1500 1 114 LEU H 1 114 LEU QB 3.210 . 3.210 2.246 2.166 2.465 . 0 0 "[ . 1 . 2]" 1
1501 1 114 LEU H 1 114 LEU HB3 3.720 . 3.720 2.632 2.438 3.622 . 0 0 "[ . 1 . 2]" 1
1502 1 114 LEU H 1 114 LEU MD1 4.750 . 4.750 4.162 3.662 4.298 . 0 0 "[ . 1 . 2]" 1
1503 1 114 LEU H 1 114 LEU QD 4.090 . 4.090 3.683 2.310 3.830 . 0 0 "[ . 1 . 2]" 1
1504 1 114 LEU H 1 114 LEU MD2 4.750 . 4.750 4.169 2.326 4.400 . 0 0 "[ . 1 . 2]" 1
1505 1 114 LEU H 1 114 LEU HG 4.710 . 4.710 4.379 2.339 4.560 . 0 0 "[ . 1 . 2]" 1
1506 1 114 LEU H 1 115 TRP H 3.700 . 3.700 2.739 2.550 2.895 . 0 0 "[ . 1 . 2]" 1
1507 1 114 LEU H 1 115 TRP QB 5.020 . 5.020 4.478 4.146 5.042 0.022 4 0 "[ . 1 . 2]" 1
1508 1 114 LEU H 1 116 ASP H 4.950 . 4.950 4.271 4.040 4.607 . 0 0 "[ . 1 . 2]" 1
1509 1 114 LEU HA 1 114 LEU MD1 3.990 . 3.990 2.599 2.080 3.951 . 0 0 "[ . 1 . 2]" 1
1510 1 114 LEU HA 1 114 LEU MD2 3.990 . 3.990 3.672 2.118 4.001 0.011 13 0 "[ . 1 . 2]" 1
1511 1 114 LEU HA 1 114 LEU HG 4.180 . 4.180 3.108 2.521 3.749 . 0 0 "[ . 1 . 2]" 1
1512 1 114 LEU HA 1 115 TRP HA 5.210 . 5.210 4.878 4.694 5.006 . 0 0 "[ . 1 . 2]" 1
1513 1 114 LEU QB 1 114 LEU QD 2.900 . 2.900 1.998 1.965 2.099 . 0 0 "[ . 1 . 2]" 1
1514 1 114 LEU QB 1 115 TRP H 3.580 . 3.580 2.485 2.234 2.681 . 0 0 "[ . 1 . 2]" 1
1515 1 114 LEU HB2 1 115 TRP H 4.110 . 4.110 3.705 2.729 3.934 . 0 0 "[ . 1 . 2]" 1
1516 1 114 LEU HB3 1 115 TRP H 4.110 . 4.110 2.600 2.252 3.784 . 0 0 "[ . 1 . 2]" 1
1517 1 114 LEU QD 1 115 TRP H 4.360 . 4.360 3.765 3.356 4.176 . 0 0 "[ . 1 . 2]" 1
1518 1 114 LEU QD 1 115 TRP HA 5.500 . 5.500 4.169 3.131 5.349 . 0 0 "[ . 1 . 2]" 1
1519 1 114 LEU QD 1 118 GLN QG 4.160 . 4.160 3.140 2.158 4.229 0.069 3 0 "[ . 1 . 2]" 1
1520 1 114 LEU MD1 1 115 TRP H 5.220 . 5.220 4.551 4.316 4.862 . 0 0 "[ . 1 . 2]" 1
1521 1 114 LEU MD2 1 115 TRP H 5.220 . 5.220 4.061 3.423 4.734 . 0 0 "[ . 1 . 2]" 1
1522 1 114 LEU HG 1 115 TRP H 5.160 . 5.160 3.998 3.337 5.071 . 0 0 "[ . 1 . 2]" 1
1523 1 115 TRP H 1 115 TRP HB2 4.210 . 4.210 2.720 2.356 3.672 . 0 0 "[ . 1 . 2]" 1
1524 1 115 TRP H 1 115 TRP QB 3.580 . 3.580 2.267 2.147 2.571 . 0 0 "[ . 1 . 2]" 1
1525 1 115 TRP H 1 115 TRP HB3 4.210 . 4.210 2.566 2.221 3.644 . 0 0 "[ . 1 . 2]" 1
1526 1 115 TRP H 1 116 ASP H 3.820 . 3.820 2.795 2.525 2.946 . 0 0 "[ . 1 . 2]" 1
1527 1 115 TRP HA 1 118 GLN QB 3.310 . 3.310 2.883 2.134 3.386 0.076 1 0 "[ . 1 . 2]" 1
1528 1 115 TRP HA 1 118 GLN QG 4.350 . 4.350 3.581 2.542 4.483 0.133 3 0 "[ . 1 . 2]" 1
1529 1 115 TRP HA 1 119 VAL H 4.910 . 4.910 4.174 3.771 4.552 . 0 0 "[ . 1 . 2]" 1
1530 1 115 TRP QB 1 116 ASP H 3.940 . 3.940 2.637 2.336 3.513 . 0 0 "[ . 1 . 2]" 1
1531 1 115 TRP HB2 1 116 ASP H 4.500 . 4.500 3.792 2.642 4.129 . 0 0 "[ . 1 . 2]" 1
1532 1 115 TRP HB3 1 116 ASP H 4.500 . 4.500 2.836 2.358 3.847 . 0 0 "[ . 1 . 2]" 1
1533 1 116 ASP H 1 116 ASP HB2 3.920 . 3.920 2.467 2.258 2.614 . 0 0 "[ . 1 . 2]" 1
1534 1 116 ASP H 1 116 ASP QB 3.330 . 3.330 2.272 2.202 2.475 . 0 0 "[ . 1 . 2]" 1
1535 1 116 ASP H 1 116 ASP HB3 3.920 . 3.920 2.790 2.452 3.639 . 0 0 "[ . 1 . 2]" 1
1536 1 116 ASP H 1 117 SER H 3.890 . 3.890 2.703 2.628 2.829 . 0 0 "[ . 1 . 2]" 1
1537 1 116 ASP HA 1 119 VAL H 4.740 . 4.740 3.570 3.122 4.047 . 0 0 "[ . 1 . 2]" 1
1538 1 116 ASP HA 1 119 VAL HB 4.340 . 4.340 3.492 2.456 4.384 0.044 5 0 "[ . 1 . 2]" 1
1539 1 116 ASP HA 1 119 VAL QG 4.460 . 4.460 2.526 1.807 3.601 . 0 0 "[ . 1 . 2]" 1
1540 1 116 ASP HA 1 120 SER H 5.050 . 5.050 4.067 3.579 4.874 . 0 0 "[ . 1 . 2]" 1
1541 1 116 ASP QB 1 117 SER H 3.770 . 3.770 2.671 2.516 2.851 . 0 0 "[ . 1 . 2]" 1
1542 1 116 ASP HB2 1 117 SER H 4.290 . 4.290 3.696 2.718 4.065 . 0 0 "[ . 1 . 2]" 1
1543 1 116 ASP HB3 1 117 SER H 4.290 . 4.290 2.888 2.550 3.880 . 0 0 "[ . 1 . 2]" 1
1544 1 117 SER H 1 117 SER QB 3.320 . 3.320 2.372 2.270 2.563 . 0 0 "[ . 1 . 2]" 1
1545 1 117 SER H 1 118 GLN H 3.770 . 3.770 2.713 2.501 2.855 . 0 0 "[ . 1 . 2]" 1
1546 1 117 SER HA 1 120 SER H 4.900 . 4.900 3.965 3.375 4.642 . 0 0 "[ . 1 . 2]" 1
1547 1 117 SER QB 1 118 GLN H 4.170 . 4.170 2.675 2.423 3.550 . 0 0 "[ . 1 . 2]" 1
1548 1 117 SER QB 1 119 VAL H 5.780 . 5.780 4.893 4.653 5.327 . 0 0 "[ . 1 . 2]" 1
1549 1 118 GLN H 1 118 GLN QB 3.780 . 3.780 2.402 2.194 2.570 . 0 0 "[ . 1 . 2]" 1
1550 1 118 GLN H 1 118 GLN QG 4.070 . 4.070 2.762 2.260 4.087 0.017 8 0 "[ . 1 . 2]" 1
1551 1 118 GLN H 1 119 VAL H 3.960 . 3.960 2.666 2.531 2.824 . 0 0 "[ . 1 . 2]" 1
1552 1 118 GLN H 1 119 VAL QG 4.750 . 4.750 4.021 3.855 4.258 . 0 0 "[ . 1 . 2]" 1
1553 1 118 GLN HA 1 120 SER H 5.580 . 5.580 4.540 4.303 4.776 . 0 0 "[ . 1 . 2]" 1
1554 1 118 GLN QB 1 119 VAL H 4.000 . 4.000 2.734 2.509 2.979 . 0 0 "[ . 1 . 2]" 1
1555 1 118 GLN QB 1 119 VAL QG 4.660 . 4.660 3.674 3.100 4.209 . 0 0 "[ . 1 . 2]" 1
1556 1 118 GLN HB2 1 119 VAL H 4.650 . 4.650 2.947 2.556 3.932 . 0 0 "[ . 1 . 2]" 1
1557 1 118 GLN HB3 1 119 VAL H 4.650 . 4.650 3.593 2.625 3.894 . 0 0 "[ . 1 . 2]" 1
1558 1 118 GLN QE 1 121 LYS QB 4.290 . 4.290 3.794 2.534 4.396 0.106 12 0 "[ . 1 . 2]" 1
1559 1 119 VAL H 1 119 VAL HB 3.720 . 3.720 2.556 2.462 2.635 . 0 0 "[ . 1 . 2]" 1
1560 1 119 VAL H 1 119 VAL MG1 4.150 . 4.150 3.015 2.087 3.852 . 0 0 "[ . 1 . 2]" 1
1561 1 119 VAL H 1 119 VAL QG 3.370 . 3.370 2.202 2.078 2.353 . 0 0 "[ . 1 . 2]" 1
1562 1 119 VAL H 1 119 VAL MG2 4.150 . 4.150 3.039 2.105 3.865 . 0 0 "[ . 1 . 2]" 1
1563 1 119 VAL H 1 120 SER H 3.850 . 3.850 2.651 2.496 2.748 . 0 0 "[ . 1 . 2]" 1
1564 1 119 VAL H 1 120 SER QB 5.780 . 5.780 4.549 4.280 4.817 . 0 0 "[ . 1 . 2]" 1
1565 1 119 VAL HA 1 121 LYS H 5.040 . 5.040 4.461 4.149 4.765 . 0 0 "[ . 1 . 2]" 1
1566 1 119 VAL HA 1 122 LEU H 4.070 . 4.070 3.462 3.064 3.899 . 0 0 "[ . 1 . 2]" 1
1567 1 119 VAL HA 1 122 LEU QB 3.820 . 3.820 2.663 2.040 3.336 . 0 0 "[ . 1 . 2]" 1
1568 1 119 VAL HA 1 122 LEU QD 4.440 . 4.440 2.709 1.969 3.889 . 0 0 "[ . 1 . 2]" 1
1569 1 119 VAL HB 1 120 SER H 4.150 . 4.150 3.349 2.448 4.091 . 0 0 "[ . 1 . 2]" 1
1570 1 119 VAL QG 1 120 SER H 3.910 . 3.910 2.746 2.174 3.418 . 0 0 "[ . 1 . 2]" 1
1571 1 119 VAL QG 1 122 LEU QB 4.980 . 4.980 3.534 2.937 4.192 . 0 0 "[ . 1 . 2]" 1
1572 1 119 VAL QG 1 122 LEU QD 3.610 . 3.610 3.193 2.243 3.907 0.297 13 0 "[ . 1 . 2]" 1
1573 1 119 VAL MG1 1 120 SER H 4.530 . 4.530 2.863 2.188 3.736 . 0 0 "[ . 1 . 2]" 1
1574 1 119 VAL MG2 1 120 SER H 4.530 . 4.530 3.886 3.692 4.042 . 0 0 "[ . 1 . 2]" 1
1575 1 120 SER H 1 121 LYS H 3.700 . 3.700 2.707 2.560 2.882 . 0 0 "[ . 1 . 2]" 1
1576 1 121 LYS H 1 121 LYS HB2 4.060 . 4.060 2.477 2.318 2.639 . 0 0 "[ . 1 . 2]" 1
1577 1 121 LYS H 1 121 LYS HB3 4.060 . 4.060 3.116 2.372 3.651 . 0 0 "[ . 1 . 2]" 1
1578 1 121 LYS H 1 122 LEU H 3.860 . 3.860 2.689 2.556 2.833 . 0 0 "[ . 1 . 2]" 1
1579 1 121 LYS H 1 122 LEU QB 5.060 . 5.060 4.561 4.175 4.848 . 0 0 "[ . 1 . 2]" 1
1580 1 121 LYS HA 1 122 LEU HA 5.280 . 5.280 4.886 4.824 4.942 . 0 0 "[ . 1 . 2]" 1
1581 1 121 LYS HA 1 123 ARG H 5.180 . 5.180 4.304 4.013 4.716 . 0 0 "[ . 1 . 2]" 1
1582 1 121 LYS HA 1 124 ARG H 3.870 . 3.870 3.376 3.084 3.788 . 0 0 "[ . 1 . 2]" 1
1583 1 121 LYS HA 1 124 ARG QB 4.230 . 4.230 3.270 2.345 4.354 0.124 12 0 "[ . 1 . 2]" 1
1584 1 121 LYS HA 1 124 ARG QD 3.680 . 3.680 2.653 2.084 3.845 0.165 8 0 "[ . 1 . 2]" 1
1585 1 121 LYS HA 1 124 ARG HG2 4.440 . 4.440 3.405 2.008 4.386 . 0 0 "[ . 1 . 2]" 1
1586 1 121 LYS HA 1 124 ARG QG 3.660 . 3.660 2.394 1.936 2.699 . 0 0 "[ . 1 . 2]" 1
1587 1 121 LYS HA 1 124 ARG HG3 4.440 . 4.440 2.827 1.960 4.026 . 0 0 "[ . 1 . 2]" 1
1588 1 121 LYS QB 1 124 ARG QG 4.360 . 4.360 4.224 3.579 4.559 0.199 7 0 "[ . 1 . 2]" 1
1589 1 121 LYS HB2 1 122 LEU H 4.590 . 4.590 3.318 2.393 4.125 . 0 0 "[ . 1 . 2]" 1
1590 1 121 LYS HB3 1 122 LEU H 4.590 . 4.590 3.261 2.587 3.852 . 0 0 "[ . 1 . 2]" 1
1591 1 122 LEU H 1 122 LEU HB2 3.960 . 3.960 2.420 2.179 2.614 . 0 0 "[ . 1 . 2]" 1
1592 1 122 LEU H 1 122 LEU HB3 3.960 . 3.960 3.328 2.492 3.668 . 0 0 "[ . 1 . 2]" 1
1593 1 122 LEU H 1 122 LEU QD 4.650 . 4.650 3.109 2.416 3.773 . 0 0 "[ . 1 . 2]" 1
1594 1 122 LEU H 1 123 ARG H 4.220 . 4.220 2.700 2.588 2.881 . 0 0 "[ . 1 . 2]" 1
1595 1 122 LEU H 1 123 ARG QB 5.310 . 5.310 4.602 4.264 5.241 . 0 0 "[ . 1 . 2]" 1
1596 1 122 LEU H 1 124 ARG QG 5.550 . 5.550 4.707 4.247 4.946 . 0 0 "[ . 1 . 2]" 1
1597 1 122 LEU HA 1 122 LEU MD1 4.760 . 4.760 3.123 2.123 3.959 . 0 0 "[ . 1 . 2]" 1
1598 1 122 LEU HA 1 122 LEU QD 3.380 . 3.380 2.122 2.036 2.281 . 0 0 "[ . 1 . 2]" 1
1599 1 122 LEU HA 1 122 LEU MD2 4.760 . 4.760 2.894 2.042 3.939 . 0 0 "[ . 1 . 2]" 1
1600 1 122 LEU HA 1 123 ARG HA 5.090 . 5.090 4.849 4.725 4.947 . 0 0 "[ . 1 . 2]" 1
1601 1 122 LEU HA 1 124 ARG H 5.020 . 5.020 4.363 3.909 4.826 . 0 0 "[ . 1 . 2]" 1
1602 1 122 LEU HA 1 125 THR H 4.430 . 4.430 3.574 3.019 3.885 . 0 0 "[ . 1 . 2]" 1
1603 1 122 LEU HA 1 125 THR HB 4.580 . 4.580 4.123 2.135 4.623 0.043 2 0 "[ . 1 . 2]" 1
1604 1 122 LEU HA 1 125 THR MG 4.190 . 4.190 2.259 1.837 3.558 . 0 0 "[ . 1 . 2]" 1
1605 1 122 LEU HA 1 129 LEU QD 5.710 . 5.710 4.291 2.997 5.904 0.194 6 0 "[ . 1 . 2]" 1
1606 1 122 LEU QB 1 123 ARG H 4.000 . 4.000 2.739 2.564 2.970 . 0 0 "[ . 1 . 2]" 1
1607 1 122 LEU QB 1 125 THR MG 4.820 . 4.820 3.935 3.332 4.906 0.086 4 0 "[ . 1 . 2]" 1
1608 1 122 LEU HB2 1 123 ARG H 4.760 . 4.760 3.142 2.633 3.974 . 0 0 "[ . 1 . 2]" 1
1609 1 122 LEU HB3 1 123 ARG H 4.760 . 4.760 3.418 2.603 3.860 . 0 0 "[ . 1 . 2]" 1
1610 1 122 LEU QD 1 123 ARG HA 5.710 . 5.710 5.062 2.937 5.479 . 0 0 "[ . 1 . 2]" 1
1611 1 122 LEU QD 1 125 THR H 5.370 . 5.370 4.809 4.313 5.174 . 0 0 "[ . 1 . 2]" 1
1612 1 122 LEU QD 1 125 THR HB 4.990 . 4.990 4.716 3.070 5.124 0.134 16 0 "[ . 1 . 2]" 1
1613 1 122 LEU QD 1 125 THR MG 3.030 . 3.030 2.844 2.479 3.229 0.199 12 0 "[ . 1 . 2]" 1
1614 1 122 LEU QD 1 126 CYS H 5.710 . 5.710 4.829 3.693 5.380 . 0 0 "[ . 1 . 2]" 1
1615 1 123 ARG H 1 123 ARG QB 3.660 . 3.660 2.369 2.123 2.687 . 0 0 "[ . 1 . 2]" 1
1616 1 123 ARG H 1 124 ARG H 4.060 . 4.060 2.685 2.477 2.856 . 0 0 "[ . 1 . 2]" 1
1617 1 123 ARG H 1 124 ARG QG 5.610 . 5.610 4.050 3.785 4.463 . 0 0 "[ . 1 . 2]" 1
1618 1 123 ARG QB 1 124 ARG H 4.390 . 4.390 2.748 2.327 3.779 . 0 0 "[ . 1 . 2]" 1
1619 1 123 ARG QB 1 124 ARG HA 5.780 . 5.780 4.135 3.785 4.665 . 0 0 "[ . 1 . 2]" 1
1620 1 124 ARG H 1 124 ARG QB 3.270 . 3.270 2.605 2.476 2.740 . 0 0 "[ . 1 . 2]" 1
1621 1 124 ARG H 1 124 ARG QD 4.250 . 4.250 3.849 2.823 4.236 . 0 0 "[ . 1 . 2]" 1
1622 1 124 ARG H 1 124 ARG HG2 4.190 . 4.190 2.913 2.058 3.551 . 0 0 "[ . 1 . 2]" 1
1623 1 124 ARG H 1 124 ARG QG 3.390 . 3.390 2.154 1.993 2.375 . 0 0 "[ . 1 . 2]" 1
1624 1 124 ARG H 1 124 ARG HG3 4.190 . 4.190 2.608 2.015 3.739 . 0 0 "[ . 1 . 2]" 1
1625 1 124 ARG H 1 125 THR H 3.710 . 3.710 2.613 2.416 2.845 . 0 0 "[ . 1 . 2]" 1
1626 1 124 ARG HA 1 124 ARG QD 4.670 . 4.670 4.182 2.535 4.655 . 0 0 "[ . 1 . 2]" 1
1627 1 124 ARG QB 1 124 ARG QD 3.380 . 3.380 2.362 2.164 2.935 . 0 0 "[ . 1 . 2]" 1
1628 1 124 ARG QB 1 125 THR H 3.940 . 3.940 2.907 2.207 3.709 . 0 0 "[ . 1 . 2]" 1
1629 1 124 ARG QG 1 125 THR H 5.610 . 5.610 3.453 2.397 4.164 . 0 0 "[ . 1 . 2]" 1
1630 1 125 THR H 1 125 THR HB 3.480 . 3.480 2.665 2.369 2.842 . 0 0 "[ . 1 . 2]" 1
1631 1 125 THR H 1 125 THR MG 4.060 . 4.060 2.412 2.037 3.807 . 0 0 "[ . 1 . 2]" 1
1632 1 125 THR HA 1 125 THR MG 3.480 . 3.480 3.169 2.556 3.285 . 0 0 "[ . 1 . 2]" 1
1633 1 125 THR MG 1 126 CYS H 4.430 . 4.430 2.689 2.215 3.618 . 0 0 "[ . 1 . 2]" 1
1634 1 126 CYS HA 1 127 GLY H 3.410 . 3.410 2.803 2.278 3.556 0.146 15 0 "[ . 1 . 2]" 1
1635 1 126 CYS HA 1 127 GLY HA2 5.050 . 5.050 4.547 4.332 4.871 . 0 0 "[ . 1 . 2]" 1
1636 1 126 CYS HA 1 127 GLY QA 4.360 . 4.360 4.095 3.951 4.282 . 0 0 "[ . 1 . 2]" 1
1637 1 126 CYS HA 1 127 GLY HA3 5.050 . 5.050 4.674 4.452 5.050 . 0 0 "[ . 1 . 2]" 1
1638 1 128 PHE H 1 128 PHE QB 3.680 . 3.680 2.790 2.255 3.429 . 0 0 "[ . 1 . 2]" 1
1639 1 128 PHE H 1 128 PHE QD 4.940 . 4.940 3.501 1.921 4.554 . 0 0 "[ . 1 . 2]" 1
1640 1 128 PHE H 1 129 LEU H 4.820 . 4.820 3.753 2.517 4.647 . 0 0 "[ . 1 . 2]" 1
1641 1 128 PHE HA 1 129 LEU H 3.510 . 3.510 2.596 2.175 3.542 0.032 16 0 "[ . 1 . 2]" 1
1642 1 128 PHE HA 1 129 LEU QB 5.610 . 5.610 4.576 4.042 5.527 . 0 0 "[ . 1 . 2]" 1
1643 1 128 PHE QB 1 129 LEU H 4.820 . 4.820 3.428 2.000 4.093 . 0 0 "[ . 1 . 2]" 1
1644 1 128 PHE QB 1 129 LEU HA 4.580 . 4.580 4.436 3.812 4.824 0.244 8 0 "[ . 1 . 2]" 1
1645 1 128 PHE QD 1 129 LEU H 5.450 . 5.450 4.266 3.040 5.060 . 0 0 "[ . 1 . 2]" 1
1646 1 129 LEU H 1 129 LEU HB2 4.270 . 4.270 2.806 2.255 3.902 . 0 0 "[ . 1 . 2]" 1
1647 1 129 LEU H 1 129 LEU QB 3.750 . 3.750 2.523 2.173 3.277 . 0 0 "[ . 1 . 2]" 1
1648 1 129 LEU H 1 129 LEU HB3 4.270 . 4.270 3.141 2.446 3.863 . 0 0 "[ . 1 . 2]" 1
1649 1 129 LEU H 1 129 LEU MD1 5.780 . 5.780 4.044 2.968 4.469 . 0 0 "[ . 1 . 2]" 1
1650 1 129 LEU H 1 129 LEU QD 4.760 . 4.760 3.386 2.201 4.158 . 0 0 "[ . 1 . 2]" 1
1651 1 129 LEU H 1 129 LEU MD2 5.780 . 5.780 3.811 2.218 5.011 . 0 0 "[ . 1 . 2]" 1
1652 1 129 LEU HA 1 129 LEU MD1 4.180 . 4.180 2.585 2.000 3.956 . 0 0 "[ . 1 . 2]" 1
1653 1 129 LEU HA 1 129 LEU QD 3.160 . 3.160 2.165 1.966 3.469 0.309 14 0 "[ . 1 . 2]" 1
1654 1 129 LEU HA 1 129 LEU MD2 4.180 . 4.180 3.231 2.051 4.139 . 0 0 "[ . 1 . 2]" 1
1655 1 129 LEU QB 1 129 LEU QD 2.680 . 2.680 2.038 1.979 2.112 . 0 0 "[ . 1 . 2]" 1
1656 1 129 LEU HB2 1 130 GLU H 4.670 . 4.670 4.206 2.341 4.686 0.016 13 0 "[ . 1 . 2]" 1
1657 1 129 LEU HB3 1 130 GLU H 4.670 . 4.670 3.969 2.345 4.548 . 0 0 "[ . 1 . 2]" 1
1658 1 129 LEU QD 1 130 GLU H 4.950 . 4.950 3.324 1.981 4.479 . 0 0 "[ . 1 . 2]" 1
1659 1 129 LEU MD1 1 130 GLU H 5.780 . 5.780 3.631 2.264 5.624 . 0 0 "[ . 1 . 2]" 1
1660 1 129 LEU MD2 1 130 GLU H 5.780 . 5.780 4.589 2.056 5.391 . 0 0 "[ . 1 . 2]" 1
1661 1 130 GLU H 1 130 GLU QB 3.860 . 3.860 2.543 2.181 3.437 . 0 0 "[ . 1 . 2]" 1
1662 1 130 GLU H 1 130 GLU QG 4.560 . 4.560 3.671 1.914 4.586 0.026 8 0 "[ . 1 . 2]" 1
1663 1 130 GLU HA 1 130 GLU QG 3.900 . 3.900 2.681 2.389 3.531 . 0 0 "[ . 1 . 2]" 1
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