NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655695 |
7aep   |
34560 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7aep
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 1785
_Distance_constraint_stats_list.Viol_count 4358
_Distance_constraint_stats_list.Viol_total 8089.978
_Distance_constraint_stats_list.Viol_max 0.559
_Distance_constraint_stats_list.Viol_rms 0.0399
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.0928
_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 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 MET 0.048 0.048 3 0 "[ . 1 . 2]"
1 36 PRO 0.919 0.112 1 0 "[ . 1 . 2]"
1 37 GLY 1.554 0.241 19 0 "[ . 1 . 2]"
1 38 GLN 0.184 0.083 14 0 "[ . 1 . 2]"
1 39 MET 2.772 0.241 19 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 2.442 0.559 2 2 "[ + . - 1 . 2]"
1 42 ALA 3.287 0.559 2 2 "[ + . - 1 . 2]"
1 43 GLN 1.362 0.298 17 0 "[ . 1 . 2]"
1 44 PRO 0.563 0.171 19 0 "[ . 1 . 2]"
1 45 LEU 0.694 0.171 19 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.749 0.112 20 0 "[ . 1 . 2]"
1 48 ASN 5.965 0.318 12 0 "[ . 1 . 2]"
1 49 PRO 4.245 0.219 7 0 "[ . 1 . 2]"
1 50 PRO 1.143 0.103 10 0 "[ . 1 . 2]"
1 51 ASN 22.733 0.392 6 0 "[ . 1 . 2]"
1 52 HIS 7.842 0.202 6 0 "[ . 1 . 2]"
1 53 ILE 22.989 0.301 6 0 "[ . 1 . 2]"
1 54 LEU 21.723 0.334 12 0 "[ . 1 . 2]"
1 55 PHE 6.664 0.226 16 0 "[ . 1 . 2]"
1 56 LEU 16.563 0.387 19 0 "[ . 1 . 2]"
1 57 THR 9.820 0.304 20 0 "[ . 1 . 2]"
1 58 ASN 15.613 0.334 3 0 "[ . 1 . 2]"
1 59 LEU 11.412 0.331 13 0 "[ . 1 . 2]"
1 60 PRO 7.555 0.242 13 0 "[ . 1 . 2]"
1 61 GLU 2.670 0.150 17 0 "[ . 1 . 2]"
1 62 GLU 4.734 0.390 15 0 "[ . 1 . 2]"
1 63 THR 10.591 0.254 11 0 "[ . 1 . 2]"
1 64 ASN 2.773 0.075 10 0 "[ . 1 . 2]"
1 65 GLU 19.117 0.307 9 0 "[ . 1 . 2]"
1 66 LEU 1.314 0.157 2 0 "[ . 1 . 2]"
1 67 MET 9.535 0.157 2 0 "[ . 1 . 2]"
1 68 LEU 15.815 0.339 10 0 "[ . 1 . 2]"
1 69 SER 8.477 0.339 10 0 "[ . 1 . 2]"
1 70 MET 7.425 0.276 13 0 "[ . 1 . 2]"
1 71 LEU 29.331 0.276 13 0 "[ . 1 . 2]"
1 72 PHE 23.449 0.244 3 0 "[ . 1 . 2]"
1 73 ASN 4.081 0.145 20 0 "[ . 1 . 2]"
1 74 GLN 1.503 0.091 12 0 "[ . 1 . 2]"
1 75 PHE 8.628 0.159 15 0 "[ . 1 . 2]"
1 76 PRO 5.208 0.219 6 0 "[ . 1 . 2]"
1 77 GLY 11.550 0.305 9 0 "[ . 1 . 2]"
1 78 PHE 14.527 0.266 11 0 "[ . 1 . 2]"
1 79 LYS 14.617 0.334 12 0 "[ . 1 . 2]"
1 80 GLU 11.021 0.389 8 0 "[ . 1 . 2]"
1 81 VAL 14.502 0.389 8 0 "[ . 1 . 2]"
1 82 ARG 13.517 0.234 1 0 "[ . 1 . 2]"
1 83 LEU 12.350 0.307 9 0 "[ . 1 . 2]"
1 84 VAL 4.618 0.177 11 0 "[ . 1 . 2]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ARG 2.832 0.444 3 0 "[ . 1 . 2]"
1 88 HIS 4.218 0.167 13 0 "[ . 1 . 2]"
1 89 ASP 6.269 0.230 15 0 "[ . 1 . 2]"
1 90 ILE 8.464 0.201 20 0 "[ . 1 . 2]"
1 91 ALA 1.228 0.152 2 0 "[ . 1 . 2]"
1 92 PHE 10.386 0.392 6 0 "[ . 1 . 2]"
1 93 VAL 21.174 0.333 12 0 "[ . 1 . 2]"
1 94 GLU 22.038 0.412 18 0 "[ . 1 . 2]"
1 95 PHE 21.240 0.244 3 0 "[ . 1 . 2]"
1 96 ASP 2.478 0.150 17 0 "[ . 1 . 2]"
1 97 ASN 10.968 0.334 12 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 VAL 10.837 0.206 1 0 "[ . 1 . 2]"
1 100 GLN 13.463 0.305 9 0 "[ . 1 . 2]"
1 101 ALA 22.190 0.412 18 0 "[ . 1 . 2]"
1 102 GLY 0.498 0.062 6 0 "[ . 1 . 2]"
1 103 ALA 6.608 0.207 2 0 "[ . 1 . 2]"
1 104 ALA 4.800 0.182 12 0 "[ . 1 . 2]"
1 105 ARG 12.195 0.255 7 0 "[ . 1 . 2]"
1 106 ASP 2.069 0.161 3 0 "[ . 1 . 2]"
1 107 ALA 12.860 0.286 12 0 "[ . 1 . 2]"
1 108 LEU 12.917 0.183 12 0 "[ . 1 . 2]"
1 109 GLN 10.169 0.286 12 0 "[ . 1 . 2]"
1 110 GLY 5.463 0.330 3 0 "[ . 1 . 2]"
1 111 PHE 10.361 0.275 13 0 "[ . 1 . 2]"
1 112 LYS 4.123 0.393 7 0 "[ . 1 . 2]"
1 113 ILE 19.217 0.393 7 0 "[ . 1 . 2]"
1 114 THR 4.006 0.164 10 0 "[ . 1 . 2]"
1 115 GLN 2.050 0.204 3 0 "[ . 1 . 2]"
1 116 ASN 2.416 0.210 12 0 "[ . 1 . 2]"
1 117 ASN 9.062 0.210 12 0 "[ . 1 . 2]"
1 118 ALA 6.159 0.209 8 0 "[ . 1 . 2]"
1 119 MET 8.659 0.349 13 0 "[ . 1 . 2]"
1 120 LYS 18.459 0.387 19 0 "[ . 1 . 2]"
1 121 ILE 10.509 0.299 18 0 "[ . 1 . 2]"
1 122 SER 1.751 0.142 12 0 "[ . 1 . 2]"
1 123 PHE 5.484 0.270 12 0 "[ . 1 . 2]"
1 124 ALA 5.919 0.192 1 0 "[ . 1 . 2]"
1 125 LYS 3.984 0.252 10 0 "[ . 1 . 2]"
1 126 LYS 6.992 0.363 5 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 34 LEU QB 1 34 LEU HG . . 2.550 2.354 2.163 2.432 . 0 0 "[ . 1 . 2]" 1
2 1 34 LEU MD1 1 35 MET H . . 4.980 3.987 2.013 4.782 . 0 0 "[ . 1 . 2]" 1
3 1 34 LEU MD2 1 35 MET H . . 4.980 3.813 2.827 4.712 . 0 0 "[ . 1 . 2]" 1
4 1 35 MET H 1 35 MET QB . . 3.120 2.456 2.164 3.168 0.048 3 0 "[ . 1 . 2]" 1
5 1 35 MET H 1 36 PRO QD . . 4.890 4.174 2.551 4.433 . 0 0 "[ . 1 . 2]" 1
6 1 36 PRO HA 1 37 GLY QA . . 4.550 4.115 3.919 4.334 . 0 0 "[ . 1 . 2]" 1
7 1 36 PRO QB 1 37 GLY QA . . 4.570 4.189 3.932 4.437 . 0 0 "[ . 1 . 2]" 1
8 1 36 PRO QB 1 39 MET QG . . 4.040 3.626 2.314 4.123 0.083 7 0 "[ . 1 . 2]" 1
9 1 36 PRO QD 1 39 MET QG . . 5.180 3.758 2.113 5.029 . 0 0 "[ . 1 . 2]" 1
10 1 36 PRO QG 1 39 MET HA . . 4.960 4.714 3.847 5.058 0.098 5 0 "[ . 1 . 2]" 1
11 1 36 PRO QG 1 39 MET QG . . 3.100 2.631 2.204 3.212 0.112 1 0 "[ . 1 . 2]" 1
12 1 37 GLY H 1 38 GLN H . . 4.790 3.886 2.116 4.645 . 0 0 "[ . 1 . 2]" 1
13 1 37 GLY H 1 39 MET H . . 5.340 4.512 3.506 5.357 0.017 15 0 "[ . 1 . 2]" 1
14 1 37 GLY QA 1 38 GLN HA . . 4.670 4.135 3.996 4.582 . 0 0 "[ . 1 . 2]" 1
15 1 37 GLY QA 1 38 GLN QG . . 4.530 3.591 3.181 4.457 . 0 0 "[ . 1 . 2]" 1
16 1 37 GLY QA 1 39 MET H . . 5.230 3.338 2.853 4.504 . 0 0 "[ . 1 . 2]" 1
17 1 37 GLY QA 1 39 MET HA . . 5.340 5.384 5.037 5.581 0.241 19 0 "[ . 1 . 2]" 1
18 1 38 GLN H 1 38 GLN QB . . 3.480 2.957 2.395 3.367 . 0 0 "[ . 1 . 2]" 1
19 1 38 GLN H 1 38 GLN QG . . 4.100 2.515 1.945 3.399 . 0 0 "[ . 1 . 2]" 1
20 1 38 GLN H 1 39 MET H . . 4.060 2.949 2.520 4.141 0.081 15 0 "[ . 1 . 2]" 1
21 1 38 GLN HA 1 38 GLN QG . . 3.510 2.704 2.363 3.365 . 0 0 "[ . 1 . 2]" 1
22 1 38 GLN HA 1 39 MET H . . 3.310 2.970 2.256 3.393 0.083 14 0 "[ . 1 . 2]" 1
23 1 38 GLN HB2 1 38 GLN QG . . 2.560 2.317 2.184 2.454 . 0 0 "[ . 1 . 2]" 1
24 1 38 GLN HB3 1 38 GLN QG . . 2.560 2.375 2.167 2.419 . 0 0 "[ . 1 . 2]" 1
25 1 39 MET H 1 39 MET QB . . 3.650 2.420 2.147 2.636 . 0 0 "[ . 1 . 2]" 1
26 1 39 MET H 1 40 PRO QD . . 5.160 4.368 3.870 4.423 . 0 0 "[ . 1 . 2]" 1
27 1 39 MET HA 1 39 MET HG2 . . 4.090 2.815 2.353 4.205 0.115 17 0 "[ . 1 . 2]" 1
28 1 39 MET HA 1 39 MET HG3 . . 4.090 3.267 2.467 3.777 . 0 0 "[ . 1 . 2]" 1
29 1 39 MET QB 1 39 MET QG . . 2.240 2.075 2.013 2.116 . 0 0 "[ . 1 . 2]" 1
30 1 39 MET QB 1 40 PRO QD . . 4.280 2.339 1.998 3.633 . 0 0 "[ . 1 . 2]" 1
31 1 39 MET QG 1 40 PRO QD . . 4.400 3.309 1.971 4.094 . 0 0 "[ . 1 . 2]" 1
32 1 41 PRO HA 1 42 ALA H . . 2.810 2.528 2.240 3.369 0.559 2 2 "[ + . - 1 . 2]" 1
33 1 41 PRO HB2 1 42 ALA H . . 4.500 3.200 2.688 4.328 . 0 0 "[ . 1 . 2]" 1
34 1 41 PRO HB3 1 42 ALA H . . 4.500 3.665 2.702 4.612 0.112 4 0 "[ . 1 . 2]" 1
35 1 41 PRO QB 1 42 ALA H . . 3.930 2.947 2.525 3.961 0.031 20 0 "[ . 1 . 2]" 1
36 1 41 PRO QB 1 42 ALA MB . . 5.340 4.181 3.308 4.558 . 0 0 "[ . 1 . 2]" 1
37 1 41 PRO QB 1 50 PRO QB . . 4.040 3.082 2.131 4.077 0.037 20 0 "[ . 1 . 2]" 1
38 1 41 PRO QB 1 50 PRO QG . . 3.470 3.222 2.244 3.558 0.088 17 0 "[ . 1 . 2]" 1
39 1 41 PRO QG 1 50 PRO QB . . 4.630 3.365 2.185 4.684 0.054 4 0 "[ . 1 . 2]" 1
40 1 42 ALA H 1 42 ALA MB . . 3.230 2.389 2.191 2.809 . 0 0 "[ . 1 . 2]" 1
41 1 42 ALA HA 1 43 GLN H . . 3.370 2.788 2.363 3.357 . 0 0 "[ . 1 . 2]" 1
42 1 42 ALA MB 1 43 GLN H . . 4.010 2.754 2.066 3.510 . 0 0 "[ . 1 . 2]" 1
43 1 42 ALA MB 1 43 GLN QB . . 4.100 3.996 3.095 4.358 0.258 15 0 "[ . 1 . 2]" 1
44 1 42 ALA MB 1 43 GLN QG . . 4.580 3.764 2.671 4.878 0.298 17 0 "[ . 1 . 2]" 1
45 1 43 GLN H 1 43 GLN QB . . 3.500 2.677 2.149 3.352 . 0 0 "[ . 1 . 2]" 1
46 1 43 GLN H 1 43 GLN QG . . 4.340 2.736 2.076 4.189 . 0 0 "[ . 1 . 2]" 1
47 1 43 GLN QB 1 44 PRO QD . . 4.760 2.658 2.020 3.886 . 0 0 "[ . 1 . 2]" 1
48 1 43 GLN QG 1 44 PRO QD . . 4.330 3.573 2.947 4.313 . 0 0 "[ . 1 . 2]" 1
49 1 44 PRO QB 1 45 LEU QB . . 5.230 4.157 3.201 5.249 0.019 7 0 "[ . 1 . 2]" 1
50 1 44 PRO QG 1 45 LEU QB . . 5.340 4.812 3.369 5.511 0.171 19 0 "[ . 1 . 2]" 1
51 1 45 LEU H 1 45 LEU QB . . 3.240 2.540 2.124 3.308 0.068 9 0 "[ . 1 . 2]" 1
52 1 45 LEU QB 1 46 SER H . . 4.450 3.502 2.921 3.978 . 0 0 "[ . 1 . 2]" 1
53 1 46 SER H 1 46 SER QB . . 3.350 2.596 2.204 3.210 . 0 0 "[ . 1 . 2]" 1
54 1 46 SER QB 1 48 ASN H . . 5.340 2.994 2.236 5.141 . 0 0 "[ . 1 . 2]" 1
55 1 47 GLU H 1 47 GLU HA . . 2.920 2.910 2.851 2.971 0.051 4 0 "[ . 1 . 2]" 1
56 1 47 GLU HA 1 47 GLU HG2 . . 4.140 3.363 2.440 3.770 . 0 0 "[ . 1 . 2]" 1
57 1 47 GLU HA 1 47 GLU HG3 . . 4.140 3.266 2.424 4.252 0.112 20 0 "[ . 1 . 2]" 1
58 1 47 GLU HB2 1 48 ASN H . . 4.970 4.050 3.581 4.489 . 0 0 "[ . 1 . 2]" 1
59 1 47 GLU HB3 1 48 ASN H . . 4.970 4.207 3.555 4.528 . 0 0 "[ . 1 . 2]" 1
60 1 47 GLU QB 1 48 ASN H . . 4.320 3.605 3.408 4.016 . 0 0 "[ . 1 . 2]" 1
61 1 47 GLU QB 1 48 ASN QB . . 5.180 4.660 3.784 5.269 0.089 20 0 "[ . 1 . 2]" 1
62 1 48 ASN H 1 48 ASN QB . . 3.680 2.518 2.185 3.244 . 0 0 "[ . 1 . 2]" 1
63 1 48 ASN H 1 49 PRO HD2 . . 5.220 4.863 4.723 5.234 0.014 6 0 "[ . 1 . 2]" 1
64 1 48 ASN H 1 49 PRO HD3 . . 5.500 4.848 4.149 5.223 . 0 0 "[ . 1 . 2]" 1
65 1 48 ASN HA 1 48 ASN HD21 . . 4.860 4.642 4.077 5.178 0.318 12 0 "[ . 1 . 2]" 1
66 1 48 ASN HA 1 48 ASN HD22 . . 4.860 4.304 2.988 4.534 . 0 0 "[ . 1 . 2]" 1
67 1 48 ASN HA 1 48 ASN QD . . 4.230 3.955 2.917 4.135 . 0 0 "[ . 1 . 2]" 1
68 1 48 ASN HA 1 49 PRO QG . . 4.380 3.940 3.802 4.070 . 0 0 "[ . 1 . 2]" 1
69 1 48 ASN HB2 1 49 PRO HD2 . . 4.150 3.822 2.098 4.299 0.149 6 0 "[ . 1 . 2]" 1
70 1 48 ASN HB2 1 49 PRO HD3 . . 4.880 4.702 3.636 4.976 0.096 18 0 "[ . 1 . 2]" 1
71 1 48 ASN HB3 1 49 PRO HD2 . . 4.150 3.041 2.157 4.369 0.219 7 0 "[ . 1 . 2]" 1
72 1 48 ASN HB3 1 49 PRO HD3 . . 4.880 4.174 3.295 4.962 0.082 8 0 "[ . 1 . 2]" 1
73 1 48 ASN HD21 1 124 ALA HA . . 5.190 4.301 3.745 5.248 0.058 2 0 "[ . 1 . 2]" 1
74 1 48 ASN HD21 1 125 LYS HA . . 5.040 4.153 2.198 5.292 0.252 10 0 "[ . 1 . 2]" 1
75 1 48 ASN HD21 1 125 LYS QB . . 4.230 2.980 1.882 4.226 . 0 0 "[ . 1 . 2]" 1
76 1 48 ASN HD22 1 124 ALA HA . . 5.190 3.945 2.854 5.170 . 0 0 "[ . 1 . 2]" 1
77 1 48 ASN HD22 1 125 LYS HA . . 5.040 4.042 3.151 4.619 . 0 0 "[ . 1 . 2]" 1
78 1 48 ASN HD22 1 125 LYS QB . . 4.230 3.373 2.382 4.273 0.043 7 0 "[ . 1 . 2]" 1
79 1 48 ASN QB 1 48 ASN QD . . 2.990 2.178 2.114 2.246 . 0 0 "[ . 1 . 2]" 1
80 1 48 ASN QB 1 49 PRO HD3 . . 4.200 3.829 3.214 4.295 0.095 1 0 "[ . 1 . 2]" 1
81 1 48 ASN QB 1 49 PRO QB . . 5.340 4.884 4.048 5.498 0.158 8 0 "[ . 1 . 2]" 1
82 1 48 ASN QB 1 49 PRO QG . . 5.180 4.153 3.335 5.191 0.011 7 0 "[ . 1 . 2]" 1
83 1 48 ASN QB 1 123 PHE HB3 . . 4.520 4.081 3.141 4.673 0.153 12 0 "[ . 1 . 2]" 1
84 1 48 ASN QB 1 123 PHE QD . . 5.340 5.107 3.995 5.610 0.270 12 0 "[ . 1 . 2]" 1
85 1 48 ASN QB 1 125 LYS HA . . 5.340 3.622 2.421 5.441 0.101 8 0 "[ . 1 . 2]" 1
86 1 48 ASN QD 1 123 PHE HB3 . . 5.340 4.182 2.157 5.352 0.012 17 0 "[ . 1 . 2]" 1
87 1 48 ASN QD 1 124 ALA HA . . 4.390 3.502 2.778 3.974 . 0 0 "[ . 1 . 2]" 1
88 1 48 ASN QD 1 125 LYS H . . 4.830 3.679 2.855 4.285 . 0 0 "[ . 1 . 2]" 1
89 1 48 ASN QD 1 125 LYS HA . . 4.420 3.441 2.170 4.345 . 0 0 "[ . 1 . 2]" 1
90 1 48 ASN QD 1 125 LYS QE . . 5.340 4.919 3.081 5.406 0.066 15 0 "[ . 1 . 2]" 1
91 1 49 PRO HA 1 50 PRO QG . . 5.110 3.958 3.826 4.091 . 0 0 "[ . 1 . 2]" 1
92 1 49 PRO HD2 1 125 LYS QD . . 5.400 3.327 2.227 5.368 . 0 0 "[ . 1 . 2]" 1
93 1 49 PRO QB 1 50 PRO QD . . 3.600 3.052 2.529 3.417 . 0 0 "[ . 1 . 2]" 1
94 1 49 PRO QB 1 125 LYS QG . . 5.270 4.645 4.030 5.407 0.137 13 0 "[ . 1 . 2]" 1
95 1 49 PRO QB 1 126 LYS QG . . 5.500 4.622 2.375 5.591 0.091 10 0 "[ . 1 . 2]" 1
96 1 49 PRO QG 1 125 LYS QD . . 3.890 3.744 2.889 4.006 0.116 10 0 "[ . 1 . 2]" 1
97 1 49 PRO QG 1 125 LYS QE . . 4.530 3.402 2.307 4.694 0.164 5 0 "[ . 1 . 2]" 1
98 1 49 PRO QG 1 125 LYS QG . . 5.040 3.083 2.081 5.046 0.006 6 0 "[ . 1 . 2]" 1
99 1 50 PRO HA 1 123 PHE QD . . 4.090 3.089 2.331 3.618 . 0 0 "[ . 1 . 2]" 1
100 1 50 PRO HB2 1 51 ASN H . . 4.670 3.030 2.690 3.579 . 0 0 "[ . 1 . 2]" 1
101 1 50 PRO HB3 1 51 ASN H . . 4.670 3.555 3.019 3.807 . 0 0 "[ . 1 . 2]" 1
102 1 50 PRO HG2 1 123 PHE QE . . 5.500 5.432 4.489 5.603 0.103 10 0 "[ . 1 . 2]" 1
103 1 50 PRO HG3 1 123 PHE QE . . 5.500 4.935 3.677 5.386 . 0 0 "[ . 1 . 2]" 1
104 1 50 PRO QB 1 123 PHE QD . . 4.820 2.921 2.603 3.663 . 0 0 "[ . 1 . 2]" 1
105 1 50 PRO QB 1 123 PHE QE . . 3.670 3.213 2.930 3.676 0.006 5 0 "[ . 1 . 2]" 1
106 1 51 ASN H 1 51 ASN HD21 . . 4.530 4.285 3.668 4.637 0.107 13 0 "[ . 1 . 2]" 1
107 1 51 ASN H 1 51 ASN HD22 . . 4.780 4.050 2.229 4.767 . 0 0 "[ . 1 . 2]" 1
108 1 51 ASN H 1 54 LEU MD1 . . 5.100 4.455 4.247 4.630 . 0 0 "[ . 1 . 2]" 1
109 1 51 ASN H 1 123 PHE HB3 . . 5.460 3.542 3.273 3.796 . 0 0 "[ . 1 . 2]" 1
110 1 51 ASN H 1 123 PHE QD . . 3.830 2.728 1.998 3.213 . 0 0 "[ . 1 . 2]" 1
111 1 51 ASN H 1 123 PHE QE . . 4.380 4.268 3.094 4.499 0.119 6 0 "[ . 1 . 2]" 1
112 1 51 ASN H 1 124 ALA MB . . 5.500 4.597 4.083 5.457 . 0 0 "[ . 1 . 2]" 1
113 1 51 ASN HB2 1 52 HIS HA . . 5.500 4.583 4.529 4.721 . 0 0 "[ . 1 . 2]" 1
114 1 51 ASN HB2 1 53 ILE MD . . 5.700 5.800 5.753 5.890 0.190 13 0 "[ . 1 . 2]" 1
115 1 51 ASN HB2 1 126 LYS QB . . 4.070 3.376 2.915 4.433 0.363 5 0 "[ . 1 . 2]" 1
116 1 51 ASN HD21 1 53 ILE MD . . 4.950 5.165 5.041 5.223 0.273 3 0 "[ . 1 . 2]" 1
117 1 51 ASN HD21 1 53 ILE MG . . 4.210 2.217 2.086 2.292 . 0 0 "[ . 1 . 2]" 1
118 1 51 ASN HD21 1 124 ALA H . . 5.500 3.625 2.830 3.939 . 0 0 "[ . 1 . 2]" 1
119 1 51 ASN HD21 1 124 ALA MB . . 3.390 1.799 1.589 2.033 . 0 0 "[ . 1 . 2]" 1
120 1 51 ASN HD21 1 126 LYS HA . . 3.820 3.838 3.564 3.975 0.155 5 0 "[ . 1 . 2]" 1
121 1 51 ASN HD21 1 126 LYS QB . . 5.290 3.950 3.509 5.218 . 0 0 "[ . 1 . 2]" 1
122 1 51 ASN HD21 1 126 LYS QD . . 5.150 5.151 3.983 5.319 0.169 10 0 "[ . 1 . 2]" 1
123 1 51 ASN HD21 1 126 LYS QG . . 5.280 4.843 3.491 5.553 0.273 6 0 "[ . 1 . 2]" 1
124 1 51 ASN HD22 1 53 ILE HA . . 5.500 4.638 4.500 4.929 . 0 0 "[ . 1 . 2]" 1
125 1 51 ASN HD22 1 53 ILE HB . . 5.190 3.257 3.115 4.233 . 0 0 "[ . 1 . 2]" 1
126 1 51 ASN HD22 1 53 ILE MD . . 5.030 4.556 4.477 5.331 0.301 6 0 "[ . 1 . 2]" 1
127 1 51 ASN HD22 1 53 ILE MG . . 5.150 1.881 1.784 2.341 . 0 0 "[ . 1 . 2]" 1
128 1 51 ASN HD22 1 54 LEU H . . 5.500 5.625 5.562 5.744 0.244 13 0 "[ . 1 . 2]" 1
129 1 51 ASN HD22 1 92 PHE QD . . 4.840 5.060 5.004 5.232 0.392 6 0 "[ . 1 . 2]" 1
130 1 51 ASN HD22 1 124 ALA H . . 4.370 4.450 3.574 4.562 0.192 1 0 "[ . 1 . 2]" 1
131 1 51 ASN HD22 1 124 ALA MB . . 3.390 2.865 2.561 2.981 . 0 0 "[ . 1 . 2]" 1
132 1 51 ASN HD22 1 126 LYS H . . 5.090 5.068 4.414 5.246 0.156 6 0 "[ . 1 . 2]" 1
133 1 51 ASN HD22 1 126 LYS HA . . 4.450 4.425 3.834 4.763 0.313 6 0 "[ . 1 . 2]" 1
134 1 51 ASN HD22 1 126 LYS QG . . 5.500 4.905 3.178 5.673 0.173 6 0 "[ . 1 . 2]" 1
135 1 51 ASN QB 1 51 ASN HD22 . . 3.380 2.307 2.187 3.053 . 0 0 "[ . 1 . 2]" 1
136 1 52 HIS HA 1 52 HIS HD2 . . 4.270 4.422 4.404 4.452 0.182 5 0 "[ . 1 . 2]" 1
137 1 52 HIS HA 1 101 ALA H . . 4.640 4.791 4.722 4.842 0.202 6 0 "[ . 1 . 2]" 1
138 1 52 HIS HA 1 101 ALA MB . . 3.920 3.514 3.448 3.592 . 0 0 "[ . 1 . 2]" 1
139 1 52 HIS HB2 1 52 HIS HD2 . . 3.720 2.658 2.631 2.693 . 0 0 "[ . 1 . 2]" 1
140 1 52 HIS HB2 1 53 ILE HA . . 5.200 4.852 4.778 4.887 . 0 0 "[ . 1 . 2]" 1
141 1 52 HIS HB2 1 94 GLU HA . . 5.500 5.124 5.072 5.212 . 0 0 "[ . 1 . 2]" 1
142 1 52 HIS HB2 1 94 GLU QB . . 5.240 4.069 3.963 4.279 . 0 0 "[ . 1 . 2]" 1
143 1 52 HIS HB2 1 95 PHE H . . 5.500 5.471 5.318 5.559 0.059 17 0 "[ . 1 . 2]" 1
144 1 52 HIS HB2 1 101 ALA MB . . 5.190 4.649 4.453 4.733 . 0 0 "[ . 1 . 2]" 1
145 1 52 HIS HD2 1 53 ILE HA . . 4.590 4.136 4.051 4.226 . 0 0 "[ . 1 . 2]" 1
146 1 52 HIS HD2 1 53 ILE HB . . 5.110 2.849 2.713 2.931 . 0 0 "[ . 1 . 2]" 1
147 1 52 HIS HD2 1 53 ILE HG12 . . 5.130 5.209 5.167 5.237 0.107 18 0 "[ . 1 . 2]" 1
148 1 52 HIS HD2 1 53 ILE HG13 . . 4.140 3.825 3.788 3.897 . 0 0 "[ . 1 . 2]" 1
149 1 52 HIS HD2 1 53 ILE MD . . 4.030 3.138 2.957 3.248 . 0 0 "[ . 1 . 2]" 1
150 1 52 HIS HD2 1 94 GLU HG2 . . 3.280 2.166 2.107 2.251 . 0 0 "[ . 1 . 2]" 1
151 1 52 HIS HD2 1 94 GLU HG3 . . 4.600 3.610 3.561 3.733 . 0 0 "[ . 1 . 2]" 1
152 1 52 HIS HD2 1 94 GLU QB . . 4.780 3.519 3.380 3.673 . 0 0 "[ . 1 . 2]" 1
153 1 53 ILE H 1 53 ILE HB . . 3.130 2.921 2.898 2.955 . 0 0 "[ . 1 . 2]" 1
154 1 53 ILE H 1 53 ILE HG12 . . 5.170 4.853 4.804 4.884 . 0 0 "[ . 1 . 2]" 1
155 1 53 ILE H 1 53 ILE HG13 . . 4.520 4.545 4.520 4.572 0.052 12 0 "[ . 1 . 2]" 1
156 1 53 ILE H 1 53 ILE MD . . 5.240 4.659 4.615 4.698 . 0 0 "[ . 1 . 2]" 1
157 1 53 ILE H 1 53 ILE MG . . 3.890 2.759 2.635 2.887 . 0 0 "[ . 1 . 2]" 1
158 1 53 ILE H 1 54 LEU H . . 4.530 4.368 4.348 4.390 . 0 0 "[ . 1 . 2]" 1
159 1 53 ILE H 1 54 LEU HA . . 5.180 4.805 4.766 4.842 . 0 0 "[ . 1 . 2]" 1
160 1 53 ILE H 1 54 LEU MD1 . . 3.950 3.974 3.916 4.010 0.060 20 0 "[ . 1 . 2]" 1
161 1 53 ILE H 1 94 GLU HG2 . . 5.030 4.755 4.673 4.903 . 0 0 "[ . 1 . 2]" 1
162 1 53 ILE H 1 123 PHE QD . . 5.500 4.839 4.381 5.063 . 0 0 "[ . 1 . 2]" 1
163 1 53 ILE H 1 124 ALA H . . 4.890 4.603 4.476 4.696 . 0 0 "[ . 1 . 2]" 1
164 1 53 ILE HA 1 53 ILE HG12 . . 3.910 2.887 2.823 2.922 . 0 0 "[ . 1 . 2]" 1
165 1 53 ILE HA 1 53 ILE HG13 . . 4.060 2.168 2.116 2.189 . 0 0 "[ . 1 . 2]" 1
166 1 53 ILE HA 1 53 ILE MD . . 3.750 3.625 3.594 3.647 . 0 0 "[ . 1 . 2]" 1
167 1 53 ILE HA 1 53 ILE MG . . 3.050 3.135 3.127 3.146 0.096 6 0 "[ . 1 . 2]" 1
168 1 53 ILE HA 1 54 LEU H . . 2.790 2.216 2.168 2.253 . 0 0 "[ . 1 . 2]" 1
169 1 53 ILE HA 1 54 LEU HB2 . . 5.300 4.157 4.098 4.181 . 0 0 "[ . 1 . 2]" 1
170 1 53 ILE HA 1 93 VAL H . . 4.710 4.054 3.967 4.116 . 0 0 "[ . 1 . 2]" 1
171 1 53 ILE HA 1 94 GLU HG2 . . 4.580 3.010 2.914 3.133 . 0 0 "[ . 1 . 2]" 1
172 1 53 ILE HB 1 53 ILE MD . . 3.030 2.214 2.178 2.243 . 0 0 "[ . 1 . 2]" 1
173 1 53 ILE HB 1 54 LEU H . . 4.760 4.258 4.197 4.317 . 0 0 "[ . 1 . 2]" 1
174 1 53 ILE HB 1 94 GLU HG2 . . 4.770 2.855 2.717 2.999 . 0 0 "[ . 1 . 2]" 1
175 1 53 ILE HB 1 94 GLU HG3 . . 4.780 3.894 3.800 3.973 . 0 0 "[ . 1 . 2]" 1
176 1 53 ILE HG12 1 82 ARG HB2 . . 4.870 5.022 4.933 5.090 0.220 7 0 "[ . 1 . 2]" 1
177 1 53 ILE HG12 1 94 GLU HG2 . . 5.010 3.817 3.774 3.872 . 0 0 "[ . 1 . 2]" 1
178 1 53 ILE HG13 1 54 LEU H . . 4.720 3.122 3.040 3.224 . 0 0 "[ . 1 . 2]" 1
179 1 53 ILE HG13 1 93 VAL HB . . 5.080 5.063 4.981 5.101 0.021 2 0 "[ . 1 . 2]" 1
180 1 53 ILE HG13 1 94 GLU H . . 4.960 3.390 3.322 3.540 . 0 0 "[ . 1 . 2]" 1
181 1 53 ILE HG13 1 94 GLU HG2 . . 4.840 2.106 2.071 2.142 . 0 0 "[ . 1 . 2]" 1
182 1 53 ILE HG13 1 94 GLU HG3 . . 4.600 2.226 2.134 2.292 . 0 0 "[ . 1 . 2]" 1
183 1 53 ILE HG13 1 94 GLU QB . . 4.900 3.651 3.622 3.688 . 0 0 "[ . 1 . 2]" 1
184 1 53 ILE HG13 1 95 PHE H . . 5.500 4.935 4.865 5.075 . 0 0 "[ . 1 . 2]" 1
185 1 53 ILE HG13 1 124 ALA MB . . 5.260 5.277 5.161 5.338 0.078 2 0 "[ . 1 . 2]" 1
186 1 53 ILE MD 1 54 LEU H . . 4.430 4.250 4.160 4.377 . 0 0 "[ . 1 . 2]" 1
187 1 53 ILE MD 1 80 GLU H . . 5.620 5.731 5.686 5.806 0.186 6 0 "[ . 1 . 2]" 1
188 1 53 ILE MD 1 81 VAL H . . 5.300 5.353 5.192 5.454 0.154 10 0 "[ . 1 . 2]" 1
189 1 53 ILE MD 1 82 ARG HB2 . . 3.810 2.633 2.468 2.739 . 0 0 "[ . 1 . 2]" 1
190 1 53 ILE MD 1 92 PHE HB2 . . 5.420 2.983 2.803 3.096 . 0 0 "[ . 1 . 2]" 1
191 1 53 ILE MD 1 92 PHE HB3 . . 4.810 2.340 2.201 2.461 . 0 0 "[ . 1 . 2]" 1
192 1 53 ILE MD 1 93 VAL H . . 4.430 3.547 3.398 3.675 . 0 0 "[ . 1 . 2]" 1
193 1 53 ILE MD 1 94 GLU HG2 . . 3.790 2.589 2.536 2.676 . 0 0 "[ . 1 . 2]" 1
194 1 53 ILE MD 1 94 GLU HG3 . . 4.070 2.266 2.183 2.339 . 0 0 "[ . 1 . 2]" 1
195 1 53 ILE MD 1 94 GLU QB . . 5.410 3.955 3.892 4.022 . 0 0 "[ . 1 . 2]" 1
196 1 53 ILE HG12 1 53 ILE MG . . 3.220 2.181 2.166 2.198 . 0 0 "[ . 1 . 2]" 1
197 1 53 ILE HG13 1 53 ILE MG . . 3.340 3.148 3.138 3.161 . 0 0 "[ . 1 . 2]" 1
198 1 53 ILE MD 1 53 ILE MG . . 2.690 1.997 1.977 2.032 . 0 0 "[ . 1 . 2]" 1
199 1 53 ILE MG 1 54 LEU H . . 3.170 3.114 3.038 3.149 . 0 0 "[ . 1 . 2]" 1
200 1 53 ILE MG 1 54 LEU HB2 . . 4.700 4.733 4.703 4.753 0.053 17 0 "[ . 1 . 2]" 1
201 1 53 ILE MG 1 55 PHE HB2 . . 4.880 4.549 4.352 4.623 . 0 0 "[ . 1 . 2]" 1
202 1 53 ILE MG 1 82 ARG HB2 . . 5.030 5.098 5.036 5.140 0.110 7 0 "[ . 1 . 2]" 1
203 1 53 ILE MG 1 92 PHE HA . . 3.900 3.889 3.827 3.945 0.045 12 0 "[ . 1 . 2]" 1
204 1 53 ILE MG 1 92 PHE HB3 . . 3.140 2.529 2.392 2.623 . 0 0 "[ . 1 . 2]" 1
205 1 53 ILE MG 1 92 PHE QD . . 2.900 2.039 1.991 2.097 . 0 0 "[ . 1 . 2]" 1
206 1 53 ILE MG 1 93 VAL H . . 3.390 3.530 3.489 3.575 0.185 6 0 "[ . 1 . 2]" 1
207 1 53 ILE MG 1 94 GLU HG3 . . 5.110 4.651 4.597 4.686 . 0 0 "[ . 1 . 2]" 1
208 1 53 ILE MG 1 124 ALA H . . 4.490 3.605 3.502 3.696 . 0 0 "[ . 1 . 2]" 1
209 1 53 ILE MG 1 124 ALA MB . . 2.840 2.011 1.954 2.053 . 0 0 "[ . 1 . 2]" 1
210 1 54 LEU H 1 54 LEU HB2 . . 3.180 2.168 2.142 2.196 . 0 0 "[ . 1 . 2]" 1
211 1 54 LEU H 1 54 LEU HG . . 5.100 4.495 4.469 4.528 . 0 0 "[ . 1 . 2]" 1
212 1 54 LEU H 1 54 LEU MD1 . . 3.650 2.870 2.812 2.949 . 0 0 "[ . 1 . 2]" 1
213 1 54 LEU H 1 54 LEU MD2 . . 4.640 3.556 3.519 3.601 . 0 0 "[ . 1 . 2]" 1
214 1 54 LEU H 1 55 PHE H . . 4.560 4.558 4.540 4.571 0.011 2 0 "[ . 1 . 2]" 1
215 1 54 LEU H 1 56 LEU MD1 . . 5.430 5.078 4.970 5.234 . 0 0 "[ . 1 . 2]" 1
216 1 54 LEU H 1 92 PHE HA . . 4.580 4.371 4.288 4.410 . 0 0 "[ . 1 . 2]" 1
217 1 54 LEU H 1 93 VAL H . . 3.460 2.637 2.573 2.672 . 0 0 "[ . 1 . 2]" 1
218 1 54 LEU H 1 93 VAL HB . . 4.390 4.163 4.105 4.211 . 0 0 "[ . 1 . 2]" 1
219 1 54 LEU H 1 93 VAL MG2 . . 5.000 5.068 5.032 5.105 0.105 14 0 "[ . 1 . 2]" 1
220 1 54 LEU H 1 101 ALA MB . . 4.040 3.497 3.357 3.583 . 0 0 "[ . 1 . 2]" 1
221 1 54 LEU H 1 124 ALA MB . . 4.880 4.244 4.167 4.315 . 0 0 "[ . 1 . 2]" 1
222 1 54 LEU HA 1 54 LEU MD1 . . 3.090 2.036 2.017 2.049 . 0 0 "[ . 1 . 2]" 1
223 1 54 LEU HA 1 55 PHE H . . 2.830 2.229 2.193 2.273 . 0 0 "[ . 1 . 2]" 1
224 1 54 LEU HA 1 121 ILE MG . . 4.190 4.183 4.132 4.225 0.035 13 0 "[ . 1 . 2]" 1
225 1 54 LEU HA 1 122 SER H . . 4.410 4.299 4.161 4.432 0.022 12 0 "[ . 1 . 2]" 1
226 1 54 LEU HA 1 124 ALA H . . 3.260 2.499 2.384 2.571 . 0 0 "[ . 1 . 2]" 1
227 1 54 LEU HA 1 124 ALA MB . . 3.990 3.225 3.111 3.326 . 0 0 "[ . 1 . 2]" 1
228 1 54 LEU HB2 1 54 LEU MD1 . . 2.950 2.741 2.716 2.764 . 0 0 "[ . 1 . 2]" 1
229 1 54 LEU HB2 1 55 PHE H . . 4.390 4.183 4.047 4.238 . 0 0 "[ . 1 . 2]" 1
230 1 54 LEU HB2 1 93 VAL H . . 3.930 3.463 3.357 3.546 . 0 0 "[ . 1 . 2]" 1
231 1 54 LEU HB2 1 93 VAL MG2 . . 5.440 4.833 4.707 4.943 . 0 0 "[ . 1 . 2]" 1
232 1 54 LEU HB2 1 101 ALA MB . . 4.030 3.570 3.538 3.603 . 0 0 "[ . 1 . 2]" 1
233 1 54 LEU HB2 1 104 ALA MB . . 4.700 4.750 4.483 4.796 0.096 9 0 "[ . 1 . 2]" 1
234 1 54 LEU HB3 1 54 LEU HG . . 2.790 2.291 2.281 2.305 . 0 0 "[ . 1 . 2]" 1
235 1 54 LEU HB3 1 54 LEU MD1 . . 3.250 3.212 3.206 3.220 . 0 0 "[ . 1 . 2]" 1
236 1 54 LEU HB3 1 55 PHE H . . 3.940 2.999 2.786 3.086 . 0 0 "[ . 1 . 2]" 1
237 1 54 LEU HB3 1 93 VAL H . . 4.770 4.347 4.233 4.409 . 0 0 "[ . 1 . 2]" 1
238 1 54 LEU HB3 1 101 ALA MB . . 4.520 4.808 4.790 4.854 0.334 12 0 "[ . 1 . 2]" 1
239 1 54 LEU HB3 1 121 ILE MG . . 2.980 2.351 2.298 2.439 . 0 0 "[ . 1 . 2]" 1
240 1 54 LEU HB3 1 123 PHE HA . . 5.600 4.723 4.613 4.836 . 0 0 "[ . 1 . 2]" 1
241 1 54 LEU HG 1 55 PHE H . . 4.590 3.778 3.598 3.844 . 0 0 "[ . 1 . 2]" 1
242 1 54 LEU HG 1 105 ARG H . . 4.420 4.529 4.493 4.571 0.151 20 0 "[ . 1 . 2]" 1
243 1 54 LEU HG 1 105 ARG HA . . 4.110 3.555 3.451 3.614 . 0 0 "[ . 1 . 2]" 1
244 1 54 LEU HG 1 105 ARG HB2 . . 4.140 2.921 2.821 3.179 . 0 0 "[ . 1 . 2]" 1
245 1 54 LEU HG 1 105 ARG HB3 . . 4.620 4.587 4.509 4.729 0.109 1 0 "[ . 1 . 2]" 1
246 1 54 LEU HG 1 105 ARG HD2 . . 4.620 3.653 3.532 3.814 . 0 0 "[ . 1 . 2]" 1
247 1 54 LEU HG 1 105 ARG HG3 . . 2.700 2.859 2.582 2.955 0.255 7 0 "[ . 1 . 2]" 1
248 1 54 LEU HG 1 121 ILE MG . . 2.620 2.118 2.084 2.175 . 0 0 "[ . 1 . 2]" 1
249 1 54 LEU HG 1 123 PHE QD . . 5.120 4.795 4.157 5.049 . 0 0 "[ . 1 . 2]" 1
250 1 54 LEU MD1 1 55 PHE H . . 3.780 3.779 3.743 3.811 0.031 13 0 "[ . 1 . 2]" 1
251 1 54 LEU MD1 1 101 ALA H . . 5.500 4.619 4.558 4.678 . 0 0 "[ . 1 . 2]" 1
252 1 54 LEU MD1 1 101 ALA HA . . 4.750 3.780 3.716 3.857 . 0 0 "[ . 1 . 2]" 1
253 1 54 LEU MD1 1 101 ALA MB . . 3.090 1.961 1.923 1.997 . 0 0 "[ . 1 . 2]" 1
254 1 54 LEU MD1 1 102 GLY H . . 4.870 3.775 3.700 3.865 . 0 0 "[ . 1 . 2]" 1
255 1 54 LEU MD1 1 102 GLY HA2 . . 5.180 2.698 2.582 2.801 . 0 0 "[ . 1 . 2]" 1
256 1 54 LEU MD1 1 102 GLY HA3 . . 4.810 4.046 3.958 4.134 . 0 0 "[ . 1 . 2]" 1
257 1 54 LEU MD1 1 103 ALA H . . 5.500 5.040 4.967 5.139 . 0 0 "[ . 1 . 2]" 1
258 1 54 LEU MD1 1 105 ARG H . . 4.230 3.908 3.771 3.984 . 0 0 "[ . 1 . 2]" 1
259 1 54 LEU MD1 1 105 ARG HA . . 4.380 4.375 4.236 4.423 0.043 2 0 "[ . 1 . 2]" 1
260 1 54 LEU MD1 1 105 ARG HB2 . . 3.590 2.846 2.706 3.019 . 0 0 "[ . 1 . 2]" 1
261 1 54 LEU MD1 1 105 ARG HD2 . . 4.010 3.688 3.532 4.080 0.070 1 0 "[ . 1 . 2]" 1
262 1 54 LEU MD1 1 105 ARG HD3 . . 4.570 4.489 3.420 4.721 0.151 6 0 "[ . 1 . 2]" 1
263 1 54 LEU MD1 1 123 PHE H . . 5.130 4.526 4.436 4.595 . 0 0 "[ . 1 . 2]" 1
264 1 54 LEU MD1 1 123 PHE HA . . 3.330 2.433 2.405 2.481 . 0 0 "[ . 1 . 2]" 1
265 1 54 LEU MD1 1 123 PHE HB2 . . 4.840 4.885 4.780 4.945 0.105 20 0 "[ . 1 . 2]" 1
266 1 54 LEU MD1 1 123 PHE QD . . 3.080 2.856 2.175 3.130 0.050 14 0 "[ . 1 . 2]" 1
267 1 54 LEU MD1 1 123 PHE QE . . 3.610 3.268 2.715 3.612 0.002 10 0 "[ . 1 . 2]" 1
268 1 54 LEU MD1 1 124 ALA H . . 3.670 3.338 3.249 3.438 . 0 0 "[ . 1 . 2]" 1
269 1 54 LEU MD2 1 95 PHE HB2 . . 5.500 3.967 3.786 5.015 . 0 0 "[ . 1 . 2]" 1
270 1 54 LEU MD2 1 101 ALA MB . . 3.450 2.296 2.243 2.475 . 0 0 "[ . 1 . 2]" 1
271 1 54 LEU MD2 1 104 ALA H . . 5.040 3.688 3.632 3.719 . 0 0 "[ . 1 . 2]" 1
272 1 54 LEU MD2 1 104 ALA MB . . 2.940 2.458 2.216 2.516 . 0 0 "[ . 1 . 2]" 1
273 1 54 LEU MD2 1 105 ARG H . . 4.000 2.503 2.444 2.571 . 0 0 "[ . 1 . 2]" 1
274 1 54 LEU MD2 1 105 ARG HD2 . . 4.870 4.366 4.207 4.702 . 0 0 "[ . 1 . 2]" 1
275 1 54 LEU MD2 1 105 ARG HD3 . . 5.350 4.809 4.100 5.035 . 0 0 "[ . 1 . 2]" 1
276 1 54 LEU MD2 1 105 ARG HG3 . . 4.340 3.404 3.200 3.488 . 0 0 "[ . 1 . 2]" 1
277 1 54 LEU MD2 1 121 ILE MD . . 4.420 3.711 3.664 3.859 . 0 0 "[ . 1 . 2]" 1
278 1 54 LEU MD2 1 121 ILE MG . . 2.690 1.928 1.912 1.959 . 0 0 "[ . 1 . 2]" 1
279 1 55 PHE H 1 55 PHE HB2 . . 3.410 2.923 2.861 3.103 . 0 0 "[ . 1 . 2]" 1
280 1 55 PHE H 1 55 PHE HB3 . . 3.240 2.310 2.283 2.346 . 0 0 "[ . 1 . 2]" 1
281 1 55 PHE H 1 55 PHE QD . . 4.510 4.122 4.073 4.171 . 0 0 "[ . 1 . 2]" 1
282 1 55 PHE H 1 56 LEU H . . 5.170 4.359 4.258 4.439 . 0 0 "[ . 1 . 2]" 1
283 1 55 PHE H 1 56 LEU MD1 . . 5.200 4.302 4.064 4.505 . 0 0 "[ . 1 . 2]" 1
284 1 55 PHE H 1 56 LEU MD2 . . 4.810 4.256 4.086 4.350 . 0 0 "[ . 1 . 2]" 1
285 1 55 PHE H 1 122 SER QB . . 4.470 3.641 3.525 3.757 . 0 0 "[ . 1 . 2]" 1
286 1 55 PHE H 1 123 PHE HA . . 3.930 3.339 3.245 3.550 . 0 0 "[ . 1 . 2]" 1
287 1 55 PHE H 1 124 ALA H . . 3.660 2.989 2.861 3.221 . 0 0 "[ . 1 . 2]" 1
288 1 55 PHE H 1 124 ALA HA . . 4.730 3.647 3.500 3.923 . 0 0 "[ . 1 . 2]" 1
289 1 55 PHE H 1 124 ALA MB . . 4.220 2.995 2.849 3.200 . 0 0 "[ . 1 . 2]" 1
290 1 55 PHE HA 1 55 PHE QD . . 3.320 2.718 2.602 2.850 . 0 0 "[ . 1 . 2]" 1
291 1 55 PHE HA 1 56 LEU H . . 2.720 2.166 2.145 2.181 . 0 0 "[ . 1 . 2]" 1
292 1 55 PHE HA 1 91 ALA H . . 4.680 4.402 4.289 4.494 . 0 0 "[ . 1 . 2]" 1
293 1 55 PHE HA 1 92 PHE QD . . 4.090 3.231 2.870 3.382 . 0 0 "[ . 1 . 2]" 1
294 1 55 PHE HA 1 93 VAL H . . 5.110 4.598 4.464 4.674 . 0 0 "[ . 1 . 2]" 1
295 1 55 PHE HB2 1 56 LEU H . . 4.450 4.349 4.284 4.402 . 0 0 "[ . 1 . 2]" 1
296 1 55 PHE HB2 1 92 PHE QD . . 4.320 3.744 3.377 3.899 . 0 0 "[ . 1 . 2]" 1
297 1 55 PHE HB2 1 122 SER H . . 5.430 5.294 5.183 5.443 0.013 20 0 "[ . 1 . 2]" 1
298 1 55 PHE HB2 1 122 SER QB . . 4.960 4.351 4.153 4.529 . 0 0 "[ . 1 . 2]" 1
299 1 55 PHE HB2 1 124 ALA HA . . 4.350 2.197 2.092 2.418 . 0 0 "[ . 1 . 2]" 1
300 1 55 PHE HB2 1 124 ALA MB . . 3.610 2.355 2.206 2.478 . 0 0 "[ . 1 . 2]" 1
301 1 55 PHE HB3 1 56 LEU H . . 4.720 4.448 4.354 4.488 . 0 0 "[ . 1 . 2]" 1
302 1 55 PHE HB3 1 92 PHE QD . . 5.400 5.149 4.818 5.310 . 0 0 "[ . 1 . 2]" 1
303 1 55 PHE HB3 1 122 SER H . . 4.850 3.832 3.716 4.008 . 0 0 "[ . 1 . 2]" 1
304 1 55 PHE HB3 1 122 SER QB . . 5.010 2.708 2.535 2.862 . 0 0 "[ . 1 . 2]" 1
305 1 55 PHE HB3 1 124 ALA H . . 5.500 4.113 3.933 4.263 . 0 0 "[ . 1 . 2]" 1
306 1 55 PHE HB3 1 124 ALA HA . . 4.530 2.912 2.638 3.172 . 0 0 "[ . 1 . 2]" 1
307 1 55 PHE HB3 1 124 ALA MB . . 4.070 3.445 3.200 3.554 . 0 0 "[ . 1 . 2]" 1
308 1 55 PHE HZ 1 57 THR HB . . 5.500 5.584 5.481 5.641 0.141 1 0 "[ . 1 . 2]" 1
309 1 55 PHE HZ 1 57 THR MG . . 3.900 2.768 2.671 2.936 . 0 0 "[ . 1 . 2]" 1
310 1 55 PHE HZ 1 90 ILE HB . . 4.370 3.447 3.197 3.895 . 0 0 "[ . 1 . 2]" 1
311 1 55 PHE HZ 1 90 ILE MD . . 4.210 3.797 3.219 4.211 0.001 12 0 "[ . 1 . 2]" 1
312 1 55 PHE HZ 1 90 ILE MG . . 2.770 2.161 2.105 2.471 . 0 0 "[ . 1 . 2]" 1
313 1 55 PHE QD 1 56 LEU H . . 3.930 3.685 3.364 3.832 . 0 0 "[ . 1 . 2]" 1
314 1 55 PHE QD 1 57 THR MG . . 3.850 4.006 3.576 4.076 0.226 16 0 "[ . 1 . 2]" 1
315 1 55 PHE QD 1 90 ILE HB . . 4.130 3.732 3.430 3.841 . 0 0 "[ . 1 . 2]" 1
316 1 55 PHE QD 1 90 ILE MD . . 3.500 3.568 3.525 3.622 0.122 20 0 "[ . 1 . 2]" 1
317 1 55 PHE QD 1 90 ILE MG . . 5.040 4.291 4.137 4.449 . 0 0 "[ . 1 . 2]" 1
318 1 55 PHE QD 1 91 ALA H . . 4.650 4.281 3.869 4.425 . 0 0 "[ . 1 . 2]" 1
319 1 55 PHE QD 1 92 PHE QD . . 4.320 3.879 3.780 3.965 . 0 0 "[ . 1 . 2]" 1
320 1 55 PHE QD 1 122 SER HB2 . . 4.540 2.978 2.269 4.067 . 0 0 "[ . 1 . 2]" 1
321 1 55 PHE QD 1 122 SER HB3 . . 4.540 3.295 2.333 4.091 . 0 0 "[ . 1 . 2]" 1
322 1 55 PHE QD 1 124 ALA MB . . 4.400 3.825 3.636 4.023 . 0 0 "[ . 1 . 2]" 1
323 1 55 PHE QE 1 56 LEU H . . 5.180 4.946 4.728 5.099 . 0 0 "[ . 1 . 2]" 1
324 1 55 PHE QE 1 57 THR MG . . 3.560 2.451 2.402 2.550 . 0 0 "[ . 1 . 2]" 1
325 1 55 PHE QE 1 90 ILE HB . . 3.700 2.466 2.219 2.650 . 0 0 "[ . 1 . 2]" 1
326 1 55 PHE QE 1 90 ILE MD . . 3.480 2.221 2.058 2.375 . 0 0 "[ . 1 . 2]" 1
327 1 55 PHE QE 1 90 ILE MG . . 3.210 2.775 2.522 2.950 . 0 0 "[ . 1 . 2]" 1
328 1 55 PHE QE 1 91 ALA H . . 4.740 4.384 4.172 4.565 . 0 0 "[ . 1 . 2]" 1
329 1 56 LEU H 1 56 LEU HB2 . . 3.050 2.470 2.428 2.494 . 0 0 "[ . 1 . 2]" 1
330 1 56 LEU H 1 56 LEU HB3 . . 3.740 3.640 3.617 3.668 . 0 0 "[ . 1 . 2]" 1
331 1 56 LEU H 1 56 LEU HG . . 4.210 4.096 4.047 4.206 . 0 0 "[ . 1 . 2]" 1
332 1 56 LEU H 1 56 LEU MD1 . . 3.720 3.216 3.110 3.331 . 0 0 "[ . 1 . 2]" 1
333 1 56 LEU H 1 56 LEU MD2 . . 3.640 2.079 1.984 2.209 . 0 0 "[ . 1 . 2]" 1
334 1 56 LEU H 1 57 THR H . . 5.240 4.589 4.551 4.608 . 0 0 "[ . 1 . 2]" 1
335 1 56 LEU H 1 91 ALA H . . 3.370 2.825 2.744 2.889 . 0 0 "[ . 1 . 2]" 1
336 1 56 LEU H 1 92 PHE HA . . 3.870 2.988 2.908 3.108 . 0 0 "[ . 1 . 2]" 1
337 1 56 LEU H 1 92 PHE QD . . 4.880 4.466 4.349 4.537 . 0 0 "[ . 1 . 2]" 1
338 1 56 LEU H 1 93 VAL MG2 . . 5.150 4.850 4.748 4.956 . 0 0 "[ . 1 . 2]" 1
339 1 56 LEU H 1 121 ILE MG . . 5.420 5.052 4.906 5.188 . 0 0 "[ . 1 . 2]" 1
340 1 56 LEU H 1 122 SER H . . 5.420 5.120 5.047 5.223 . 0 0 "[ . 1 . 2]" 1
341 1 56 LEU HA 1 56 LEU HG . . 4.000 3.681 3.661 3.746 . 0 0 "[ . 1 . 2]" 1
342 1 56 LEU HA 1 56 LEU MD1 . . 3.030 2.033 2.008 2.064 . 0 0 "[ . 1 . 2]" 1
343 1 56 LEU HA 1 56 LEU MD2 . . 3.730 3.267 3.181 3.313 . 0 0 "[ . 1 . 2]" 1
344 1 56 LEU HA 1 57 THR H . . 2.670 2.270 2.222 2.288 . 0 0 "[ . 1 . 2]" 1
345 1 56 LEU HA 1 59 LEU MD2 . . 5.180 4.825 4.009 4.993 . 0 0 "[ . 1 . 2]" 1
346 1 56 LEU HA 1 91 ALA H . . 5.030 4.494 4.436 4.565 . 0 0 "[ . 1 . 2]" 1
347 1 56 LEU HA 1 91 ALA MB . . 5.250 5.087 5.029 5.239 . 0 0 "[ . 1 . 2]" 1
348 1 56 LEU HA 1 119 MET QG . . 4.850 3.347 3.237 3.425 . 0 0 "[ . 1 . 2]" 1
349 1 56 LEU HA 1 120 LYS H . . 4.740 4.650 4.444 4.829 0.089 17 0 "[ . 1 . 2]" 1
350 1 56 LEU HA 1 120 LYS HB3 . . 5.170 5.476 5.320 5.557 0.387 19 0 "[ . 1 . 2]" 1
351 1 56 LEU HA 1 121 ILE MG . . 4.430 3.724 3.591 3.845 . 0 0 "[ . 1 . 2]" 1
352 1 56 LEU HA 1 122 SER H . . 4.750 3.873 3.768 3.995 . 0 0 "[ . 1 . 2]" 1
353 1 56 LEU HB2 1 56 LEU MD2 . . 2.970 2.316 2.303 2.345 . 0 0 "[ . 1 . 2]" 1
354 1 56 LEU HB2 1 57 THR H . . 4.090 3.841 3.809 3.903 . 0 0 "[ . 1 . 2]" 1
355 1 56 LEU HB2 1 59 LEU MD1 . . 3.360 2.336 2.272 2.412 . 0 0 "[ . 1 . 2]" 1
356 1 56 LEU HB2 1 91 ALA H . . 3.360 2.427 2.367 2.598 . 0 0 "[ . 1 . 2]" 1
357 1 56 LEU HB2 1 91 ALA MB . . 3.280 2.344 2.282 2.505 . 0 0 "[ . 1 . 2]" 1
358 1 56 LEU HB3 1 56 LEU MD1 . . 3.130 2.528 2.436 2.551 . 0 0 "[ . 1 . 2]" 1
359 1 56 LEU HB3 1 56 LEU MD2 . . 3.160 3.210 3.204 3.222 0.062 17 0 "[ . 1 . 2]" 1
360 1 56 LEU HB3 1 57 THR H . . 3.530 2.686 2.652 2.792 . 0 0 "[ . 1 . 2]" 1
361 1 56 LEU HB3 1 72 PHE QE . . 5.500 5.200 4.826 5.334 . 0 0 "[ . 1 . 2]" 1
362 1 56 LEU HB3 1 91 ALA H . . 4.690 3.836 3.769 4.025 . 0 0 "[ . 1 . 2]" 1
363 1 56 LEU HB3 1 91 ALA MB . . 3.820 3.551 3.463 3.744 . 0 0 "[ . 1 . 2]" 1
364 1 56 LEU HB3 1 119 MET ME . . 3.290 3.238 3.091 3.639 0.349 13 0 "[ . 1 . 2]" 1
365 1 56 LEU HB3 1 119 MET QG . . 4.690 2.233 2.162 2.348 . 0 0 "[ . 1 . 2]" 1
366 1 56 LEU HG 1 57 THR H . . 5.290 4.778 4.732 4.946 . 0 0 "[ . 1 . 2]" 1
367 1 56 LEU HG 1 59 LEU MD1 . . 4.350 3.245 3.128 3.682 . 0 0 "[ . 1 . 2]" 1
368 1 56 LEU HG 1 72 PHE QE . . 4.540 3.095 2.640 3.233 . 0 0 "[ . 1 . 2]" 1
369 1 56 LEU HG 1 93 VAL MG2 . . 4.160 3.238 3.052 3.360 . 0 0 "[ . 1 . 2]" 1
370 1 56 LEU HG 1 119 MET ME . . 2.860 2.375 2.206 2.775 . 0 0 "[ . 1 . 2]" 1
371 1 56 LEU HG 1 121 ILE HA . . 5.500 5.273 5.184 5.321 . 0 0 "[ . 1 . 2]" 1
372 1 56 LEU MD1 1 57 THR H . . 3.940 3.413 3.340 3.508 . 0 0 "[ . 1 . 2]" 1
373 1 56 LEU MD1 1 72 PHE QE . . 3.040 2.616 2.398 2.683 . 0 0 "[ . 1 . 2]" 1
374 1 56 LEU MD1 1 92 PHE HA . . 4.850 4.388 4.321 4.555 . 0 0 "[ . 1 . 2]" 1
375 1 56 LEU MD1 1 93 VAL HB . . 3.810 3.733 3.659 3.801 . 0 0 "[ . 1 . 2]" 1
376 1 56 LEU MD1 1 93 VAL MG2 . . 3.490 3.616 3.594 3.640 0.150 18 0 "[ . 1 . 2]" 1
377 1 56 LEU MD1 1 108 LEU MD1 . . 4.120 3.952 3.871 4.009 . 0 0 "[ . 1 . 2]" 1
378 1 56 LEU MD1 1 119 MET HB2 . . 4.690 4.655 4.548 4.707 0.017 5 0 "[ . 1 . 2]" 1
379 1 56 LEU MD1 1 119 MET ME . . 3.520 3.091 2.397 3.209 . 0 0 "[ . 1 . 2]" 1
380 1 56 LEU MD1 1 119 MET QG . . 3.720 2.218 2.146 2.279 . 0 0 "[ . 1 . 2]" 1
381 1 56 LEU MD1 1 121 ILE H . . 4.160 4.364 4.284 4.459 0.299 18 0 "[ . 1 . 2]" 1
382 1 56 LEU MD1 1 121 ILE HA . . 3.450 2.439 2.333 2.494 . 0 0 "[ . 1 . 2]" 1
383 1 56 LEU MD1 1 121 ILE MG . . 2.780 1.992 1.952 2.023 . 0 0 "[ . 1 . 2]" 1
384 1 56 LEU MD1 1 122 SER H . . 4.050 3.371 3.294 3.417 . 0 0 "[ . 1 . 2]" 1
385 1 56 LEU MD2 1 57 THR H . . 5.010 4.867 4.833 4.898 . 0 0 "[ . 1 . 2]" 1
386 1 56 LEU MD2 1 72 PHE QD . . 4.570 4.459 4.221 4.542 . 0 0 "[ . 1 . 2]" 1
387 1 56 LEU MD2 1 72 PHE QE . . 3.500 3.094 2.728 3.175 . 0 0 "[ . 1 . 2]" 1
388 1 56 LEU MD2 1 91 ALA H . . 4.340 3.649 3.536 3.749 . 0 0 "[ . 1 . 2]" 1
389 1 56 LEU MD2 1 91 ALA MB . . 2.670 2.527 2.378 2.681 0.011 13 0 "[ . 1 . 2]" 1
390 1 56 LEU MD2 1 92 PHE HA . . 4.580 2.212 2.167 2.295 . 0 0 "[ . 1 . 2]" 1
391 1 56 LEU MD2 1 93 VAL MG2 . . 2.740 1.953 1.936 1.972 . 0 0 "[ . 1 . 2]" 1
392 1 56 LEU MD2 1 108 LEU MD1 . . 5.050 5.144 5.131 5.167 0.117 12 0 "[ . 1 . 2]" 1
393 1 56 LEU MD2 1 119 MET ME . . 3.690 3.648 3.591 3.783 0.093 13 0 "[ . 1 . 2]" 1
394 1 56 LEU MD2 1 119 MET QG . . 4.250 4.192 4.124 4.354 0.104 13 0 "[ . 1 . 2]" 1
395 1 56 LEU MD2 1 121 ILE HA . . 4.920 4.516 4.354 4.594 . 0 0 "[ . 1 . 2]" 1
396 1 57 THR H 1 57 THR MG . . 3.940 3.965 3.521 4.005 0.065 3 0 "[ . 1 . 2]" 1
397 1 57 THR H 1 59 LEU MD1 . . 5.090 4.262 4.183 4.433 . 0 0 "[ . 1 . 2]" 1
398 1 57 THR H 1 59 LEU MD2 . . 5.030 4.130 3.126 4.416 . 0 0 "[ . 1 . 2]" 1
399 1 57 THR H 1 90 ILE MG . . 4.470 4.580 4.536 4.630 0.160 13 0 "[ . 1 . 2]" 1
400 1 57 THR H 1 119 MET HA . . 4.500 3.521 3.427 3.669 . 0 0 "[ . 1 . 2]" 1
401 1 57 THR H 1 119 MET QG . . 4.190 2.984 2.541 3.147 . 0 0 "[ . 1 . 2]" 1
402 1 57 THR H 1 120 LYS H . . 3.430 2.815 2.672 2.984 . 0 0 "[ . 1 . 2]" 1
403 1 57 THR H 1 120 LYS HB2 . . 4.330 3.527 3.072 3.668 . 0 0 "[ . 1 . 2]" 1
404 1 57 THR H 1 120 LYS QD . . 5.500 5.217 4.605 5.457 . 0 0 "[ . 1 . 2]" 1
405 1 57 THR HA 1 57 THR MG . . 3.000 2.225 2.173 2.259 . 0 0 "[ . 1 . 2]" 1
406 1 57 THR HA 1 58 ASN H . . 3.010 2.416 2.347 2.493 . 0 0 "[ . 1 . 2]" 1
407 1 57 THR HA 1 59 LEU H . . 4.340 3.486 3.324 3.959 . 0 0 "[ . 1 . 2]" 1
408 1 57 THR HA 1 59 LEU HG . . 5.150 3.790 3.324 3.881 . 0 0 "[ . 1 . 2]" 1
409 1 57 THR HA 1 59 LEU MD1 . . 4.550 4.273 4.156 4.327 . 0 0 "[ . 1 . 2]" 1
410 1 57 THR HA 1 59 LEU MD2 . . 5.340 5.136 4.092 5.250 . 0 0 "[ . 1 . 2]" 1
411 1 57 THR HA 1 90 ILE HB . . 4.970 3.828 3.692 4.014 . 0 0 "[ . 1 . 2]" 1
412 1 57 THR HA 1 90 ILE MG . . 3.060 2.027 1.980 2.104 . 0 0 "[ . 1 . 2]" 1
413 1 57 THR HA 1 91 ALA H . . 4.520 4.239 4.161 4.301 . 0 0 "[ . 1 . 2]" 1
414 1 57 THR HB 1 58 ASN H . . 3.450 3.303 2.440 3.379 . 0 0 "[ . 1 . 2]" 1
415 1 57 THR HB 1 58 ASN HB2 . . 4.120 3.283 3.025 3.389 . 0 0 "[ . 1 . 2]" 1
416 1 57 THR HB 1 90 ILE MG . . 4.290 4.297 3.823 4.356 0.066 15 0 "[ . 1 . 2]" 1
417 1 57 THR HB 1 120 LYS HB2 . . 3.590 2.175 1.899 3.182 . 0 0 "[ . 1 . 2]" 1
418 1 57 THR MG 1 58 ASN H . . 3.550 2.116 2.036 2.968 . 0 0 "[ . 1 . 2]" 1
419 1 57 THR MG 1 58 ASN HA . . 4.470 3.808 3.660 4.774 0.304 20 0 "[ . 1 . 2]" 1
420 1 57 THR MG 1 58 ASN HB2 . . 4.750 3.468 3.124 4.535 . 0 0 "[ . 1 . 2]" 1
421 1 57 THR MG 1 59 LEU H . . 5.370 4.422 4.327 4.785 . 0 0 "[ . 1 . 2]" 1
422 1 57 THR MG 1 90 ILE HA . . 4.240 4.064 3.770 4.161 . 0 0 "[ . 1 . 2]" 1
423 1 57 THR MG 1 90 ILE HB . . 4.860 4.125 3.768 4.351 . 0 0 "[ . 1 . 2]" 1
424 1 57 THR MG 1 120 LYS H . . 4.690 4.647 4.502 4.904 0.214 20 0 "[ . 1 . 2]" 1
425 1 57 THR MG 1 120 LYS QD . . 4.760 4.223 3.731 4.978 0.218 16 0 "[ . 1 . 2]" 1
426 1 58 ASN H 1 58 ASN HA . . 2.720 2.253 2.195 2.292 . 0 0 "[ . 1 . 2]" 1
427 1 58 ASN H 1 58 ASN HB2 . . 3.810 3.086 3.026 3.333 . 0 0 "[ . 1 . 2]" 1
428 1 58 ASN H 1 59 LEU H . . 3.180 2.771 2.730 2.904 . 0 0 "[ . 1 . 2]" 1
429 1 58 ASN H 1 59 LEU HG . . 4.460 4.451 3.889 4.522 0.062 14 0 "[ . 1 . 2]" 1
430 1 58 ASN H 1 89 ASP QB . . 4.500 3.023 2.786 4.167 . 0 0 "[ . 1 . 2]" 1
431 1 58 ASN H 1 90 ILE HA . . 4.630 4.313 4.251 4.381 . 0 0 "[ . 1 . 2]" 1
432 1 58 ASN H 1 90 ILE MG . . 3.720 3.219 3.122 3.375 . 0 0 "[ . 1 . 2]" 1
433 1 58 ASN HA 1 59 LEU H . . 3.270 3.001 2.624 3.102 . 0 0 "[ . 1 . 2]" 1
434 1 58 ASN HB2 1 58 ASN HD22 . . 4.010 2.861 2.785 3.010 . 0 0 "[ . 1 . 2]" 1
435 1 58 ASN HB2 1 59 LEU H . . 4.810 4.537 4.497 4.652 . 0 0 "[ . 1 . 2]" 1
436 1 58 ASN HB2 1 110 GLY HA2 . . 5.900 6.133 5.579 6.230 0.330 3 0 "[ . 1 . 2]" 1
437 1 58 ASN HB2 1 118 ALA H . . 4.740 4.217 3.414 4.485 . 0 0 "[ . 1 . 2]" 1
438 1 58 ASN HB2 1 118 ALA MB . . 4.830 4.629 4.027 4.881 0.051 9 0 "[ . 1 . 2]" 1
439 1 58 ASN HB2 1 119 MET HA . . 4.690 4.474 3.218 4.700 0.010 12 0 "[ . 1 . 2]" 1
440 1 58 ASN HB2 1 120 LYS H . . 3.420 3.414 2.629 3.571 0.151 11 0 "[ . 1 . 2]" 1
441 1 58 ASN HB2 1 120 LYS HB2 . . 4.490 3.367 3.047 4.223 . 0 0 "[ . 1 . 2]" 1
442 1 58 ASN HB2 1 120 LYS QD . . 4.210 2.443 2.057 3.498 . 0 0 "[ . 1 . 2]" 1
443 1 58 ASN HB2 1 120 LYS QG . . 4.770 3.873 2.276 4.240 . 0 0 "[ . 1 . 2]" 1
444 1 58 ASN HB3 1 58 ASN HD21 . . 3.250 3.498 3.414 3.539 0.289 15 0 "[ . 1 . 2]" 1
445 1 58 ASN HB3 1 58 ASN HD22 . . 3.810 2.249 2.135 2.324 . 0 0 "[ . 1 . 2]" 1
446 1 58 ASN HB3 1 59 LEU MD2 . . 5.350 4.892 4.462 5.038 . 0 0 "[ . 1 . 2]" 1
447 1 58 ASN HB3 1 118 ALA H . . 4.700 2.934 1.826 3.303 . 0 0 "[ . 1 . 2]" 1
448 1 58 ASN HB3 1 119 MET HA . . 3.930 3.196 2.881 3.732 . 0 0 "[ . 1 . 2]" 1
449 1 58 ASN HB3 1 120 LYS H . . 3.830 2.827 2.413 3.941 0.111 10 0 "[ . 1 . 2]" 1
450 1 58 ASN HB3 1 120 LYS HB2 . . 5.350 3.800 3.352 4.865 . 0 0 "[ . 1 . 2]" 1
451 1 58 ASN HB3 1 120 LYS QD . . 4.940 2.902 2.264 3.641 . 0 0 "[ . 1 . 2]" 1
452 1 58 ASN HB3 1 120 LYS QG . . 5.500 3.837 2.296 4.473 . 0 0 "[ . 1 . 2]" 1
453 1 58 ASN HD21 1 117 ASN HA . . 4.000 3.349 3.042 4.172 0.172 10 0 "[ . 1 . 2]" 1
454 1 58 ASN HD21 1 118 ALA H . . 3.530 2.550 2.315 3.723 0.193 10 0 "[ . 1 . 2]" 1
455 1 58 ASN HD21 1 118 ALA MB . . 4.160 2.899 2.539 4.269 0.109 13 0 "[ . 1 . 2]" 1
456 1 58 ASN HD21 1 120 LYS HG3 . . 5.390 5.435 5.102 5.724 0.334 3 0 "[ . 1 . 2]" 1
457 1 58 ASN HD22 1 118 ALA H . . 3.410 2.313 2.083 2.509 . 0 0 "[ . 1 . 2]" 1
458 1 58 ASN HD22 1 118 ALA MB . . 4.140 2.247 2.013 2.925 . 0 0 "[ . 1 . 2]" 1
459 1 59 LEU H 1 59 LEU HB3 . . 3.730 3.548 3.522 3.706 . 0 0 "[ . 1 . 2]" 1
460 1 59 LEU H 1 59 LEU HG . . 3.270 2.440 2.337 2.839 . 0 0 "[ . 1 . 2]" 1
461 1 59 LEU H 1 59 LEU MD1 . . 3.980 3.588 3.474 3.871 . 0 0 "[ . 1 . 2]" 1
462 1 59 LEU H 1 59 LEU MD2 . . 4.020 3.572 3.237 3.779 . 0 0 "[ . 1 . 2]" 1
463 1 59 LEU H 1 60 PRO HD2 . . 4.800 4.763 4.735 4.819 0.019 10 0 "[ . 1 . 2]" 1
464 1 59 LEU H 1 60 PRO HD3 . . 5.200 5.187 5.154 5.226 0.026 13 0 "[ . 1 . 2]" 1
465 1 59 LEU H 1 89 ASP HA . . 3.860 2.639 2.210 2.765 . 0 0 "[ . 1 . 2]" 1
466 1 59 LEU H 1 89 ASP HB2 . . 4.410 3.383 2.807 4.468 0.058 15 0 "[ . 1 . 2]" 1
467 1 59 LEU H 1 89 ASP HB3 . . 4.410 4.308 3.734 4.435 0.025 17 0 "[ . 1 . 2]" 1
468 1 59 LEU H 1 89 ASP QB . . 3.700 3.248 2.731 3.930 0.230 15 0 "[ . 1 . 2]" 1
469 1 59 LEU H 1 90 ILE H . . 5.500 4.610 4.561 4.674 . 0 0 "[ . 1 . 2]" 1
470 1 59 LEU H 1 90 ILE MG . . 4.400 4.145 4.075 4.303 . 0 0 "[ . 1 . 2]" 1
471 1 59 LEU H 1 113 ILE MD . . 5.500 5.570 5.395 5.627 0.127 19 0 "[ . 1 . 2]" 1
472 1 59 LEU H 1 117 ASN HB3 . . 5.500 4.771 4.165 4.907 . 0 0 "[ . 1 . 2]" 1
473 1 59 LEU H 1 117 ASN QD . . 5.340 4.961 3.947 5.467 0.127 19 0 "[ . 1 . 2]" 1
474 1 59 LEU HA 1 59 LEU MD1 . . 3.980 3.819 3.790 3.833 . 0 0 "[ . 1 . 2]" 1
475 1 59 LEU HA 1 59 LEU MD2 . . 3.510 1.986 1.967 2.013 . 0 0 "[ . 1 . 2]" 1
476 1 59 LEU HA 1 63 THR MG . . 4.600 4.433 4.250 4.476 . 0 0 "[ . 1 . 2]" 1
477 1 59 LEU HA 1 113 ILE MD . . 4.190 3.256 2.947 3.349 . 0 0 "[ . 1 . 2]" 1
478 1 59 LEU HA 1 113 ILE MG . . 4.570 4.621 3.962 4.690 0.120 17 0 "[ . 1 . 2]" 1
479 1 59 LEU HB2 1 59 LEU MD1 . . 3.270 2.322 2.288 2.384 . 0 0 "[ . 1 . 2]" 1
480 1 59 LEU HB2 1 59 LEU MD2 . . 3.240 3.223 3.216 3.239 . 0 0 "[ . 1 . 2]" 1
481 1 59 LEU HB2 1 60 PRO HD2 . . 4.660 3.600 3.389 3.634 . 0 0 "[ . 1 . 2]" 1
482 1 59 LEU HB2 1 60 PRO HD3 . . 5.050 4.757 4.648 4.786 . 0 0 "[ . 1 . 2]" 1
483 1 59 LEU HB2 1 89 ASP HA . . 4.150 2.259 2.142 2.424 . 0 0 "[ . 1 . 2]" 1
484 1 59 LEU HB2 1 91 ALA MB . . 4.610 4.506 4.432 4.636 0.026 13 0 "[ . 1 . 2]" 1
485 1 59 LEU HB3 1 59 LEU MD1 . . 3.200 2.372 2.333 2.394 . 0 0 "[ . 1 . 2]" 1
486 1 59 LEU HB3 1 59 LEU MD2 . . 3.200 2.343 2.312 2.401 . 0 0 "[ . 1 . 2]" 1
487 1 59 LEU HB3 1 60 PRO HD2 . . 4.040 2.002 1.943 2.035 . 0 0 "[ . 1 . 2]" 1
488 1 59 LEU HB3 1 63 THR MG . . 3.650 2.704 2.355 2.764 . 0 0 "[ . 1 . 2]" 1
489 1 59 LEU HB3 1 88 HIS HD2 . . 5.070 5.130 5.090 5.237 0.167 13 0 "[ . 1 . 2]" 1
490 1 59 LEU HB3 1 89 ASP HA . . 3.960 3.630 3.491 3.913 . 0 0 "[ . 1 . 2]" 1
491 1 59 LEU HB3 1 91 ALA MB . . 5.090 4.629 4.576 4.681 . 0 0 "[ . 1 . 2]" 1
492 1 59 LEU HB3 1 119 MET ME . . 5.470 5.033 4.868 5.801 0.331 13 0 "[ . 1 . 2]" 1
493 1 59 LEU HB3 1 119 MET QG . . 5.330 5.255 5.169 5.343 0.013 10 0 "[ . 1 . 2]" 1
494 1 59 LEU HG 1 90 ILE HA . . 5.020 3.426 2.802 3.513 . 0 0 "[ . 1 . 2]" 1
495 1 59 LEU HG 1 91 ALA H . . 4.500 4.527 4.332 4.554 0.054 16 0 "[ . 1 . 2]" 1
496 1 59 LEU HG 1 120 LYS H . . 5.500 4.735 4.498 5.298 . 0 0 "[ . 1 . 2]" 1
497 1 59 LEU MD1 1 60 PRO HD2 . . 4.480 3.668 3.623 3.810 . 0 0 "[ . 1 . 2]" 1
498 1 59 LEU MD1 1 60 PRO HD3 . . 5.160 4.964 4.920 5.110 . 0 0 "[ . 1 . 2]" 1
499 1 59 LEU MD1 1 63 THR HB . . 4.480 3.496 3.419 3.649 . 0 0 "[ . 1 . 2]" 1
500 1 59 LEU MD1 1 68 LEU HG . . 4.480 4.529 3.935 4.611 0.131 15 0 "[ . 1 . 2]" 1
501 1 59 LEU MD1 1 89 ASP HA . . 4.060 4.025 3.827 4.131 0.071 10 0 "[ . 1 . 2]" 1
502 1 59 LEU MD1 1 90 ILE H . . 4.220 3.420 3.183 3.499 . 0 0 "[ . 1 . 2]" 1
503 1 59 LEU MD1 1 90 ILE HA . . 3.640 2.652 2.594 2.713 . 0 0 "[ . 1 . 2]" 1
504 1 59 LEU MD1 1 91 ALA H . . 3.590 2.990 2.877 3.035 . 0 0 "[ . 1 . 2]" 1
505 1 59 LEU MD1 1 91 ALA HA . . 4.580 3.922 3.858 3.988 . 0 0 "[ . 1 . 2]" 1
506 1 59 LEU MD1 1 91 ALA MB . . 2.830 1.985 1.943 2.031 . 0 0 "[ . 1 . 2]" 1
507 1 59 LEU MD1 1 92 PHE H . . 4.770 4.813 4.776 4.855 0.085 6 0 "[ . 1 . 2]" 1
508 1 59 LEU MD1 1 93 VAL MG2 . . 4.860 4.525 4.476 4.658 . 0 0 "[ . 1 . 2]" 1
509 1 59 LEU MD1 1 113 ILE MD . . 4.740 4.050 3.780 4.178 . 0 0 "[ . 1 . 2]" 1
510 1 59 LEU MD1 1 119 MET ME . . 4.370 3.151 3.021 4.324 . 0 0 "[ . 1 . 2]" 1
511 1 59 LEU MD1 1 119 MET QG . . 4.790 3.387 3.297 3.796 . 0 0 "[ . 1 . 2]" 1
512 1 59 LEU MD2 1 60 PRO HD2 . . 3.670 2.362 2.275 3.076 . 0 0 "[ . 1 . 2]" 1
513 1 59 LEU MD2 1 60 PRO HD3 . . 3.760 3.077 3.013 3.679 . 0 0 "[ . 1 . 2]" 1
514 1 59 LEU MD2 1 63 THR MG . . 3.530 2.544 2.426 3.200 . 0 0 "[ . 1 . 2]" 1
515 1 59 LEU MD2 1 71 LEU MD1 . . 3.850 3.897 3.867 4.119 0.269 13 0 "[ . 1 . 2]" 1
516 1 59 LEU MD2 1 90 ILE HA . . 4.930 4.773 4.024 4.864 . 0 0 "[ . 1 . 2]" 1
517 1 59 LEU MD2 1 91 ALA H . . 5.360 5.135 4.557 5.197 . 0 0 "[ . 1 . 2]" 1
518 1 59 LEU MD2 1 111 PHE H . . 5.500 5.508 5.426 5.705 0.205 13 0 "[ . 1 . 2]" 1
519 1 59 LEU MD2 1 113 ILE HG12 . . 4.820 4.644 4.552 4.765 . 0 0 "[ . 1 . 2]" 1
520 1 59 LEU MD2 1 113 ILE MD . . 2.590 2.135 2.069 2.216 . 0 0 "[ . 1 . 2]" 1
521 1 59 LEU MD2 1 113 ILE MG . . 3.760 3.751 3.669 3.892 0.132 13 0 "[ . 1 . 2]" 1
522 1 59 LEU MD2 1 119 MET H . . 4.560 3.803 3.632 3.988 . 0 0 "[ . 1 . 2]" 1
523 1 59 LEU MD2 1 119 MET HB2 . . 4.290 2.190 2.122 2.290 . 0 0 "[ . 1 . 2]" 1
524 1 59 LEU MD2 1 119 MET HB3 . . 3.600 3.611 3.508 3.689 0.089 10 0 "[ . 1 . 2]" 1
525 1 59 LEU MD2 1 119 MET ME . . 3.340 2.032 1.896 3.320 . 0 0 "[ . 1 . 2]" 1
526 1 59 LEU MD2 1 119 MET QG . . 3.280 2.004 1.928 2.076 . 0 0 "[ . 1 . 2]" 1
527 1 59 LEU MD2 1 120 LYS H . . 5.130 4.513 3.832 4.667 . 0 0 "[ . 1 . 2]" 1
528 1 60 PRO HA 1 61 GLU H . . 3.060 2.433 2.369 2.493 . 0 0 "[ . 1 . 2]" 1
529 1 60 PRO HA 1 61 GLU QB . . 4.500 4.315 4.281 4.396 . 0 0 "[ . 1 . 2]" 1
530 1 60 PRO HA 1 61 GLU QG . . 5.180 4.175 4.064 4.906 . 0 0 "[ . 1 . 2]" 1
531 1 60 PRO HA 1 113 ILE HB . . 5.500 5.522 5.374 5.565 0.065 7 0 "[ . 1 . 2]" 1
532 1 60 PRO HB2 1 61 GLU H . . 3.430 2.648 2.537 2.787 . 0 0 "[ . 1 . 2]" 1
533 1 60 PRO HB2 1 61 GLU QB . . 5.300 4.862 4.796 4.945 . 0 0 "[ . 1 . 2]" 1
534 1 60 PRO HB2 1 62 GLU H . . 3.350 2.325 2.208 2.457 . 0 0 "[ . 1 . 2]" 1
535 1 60 PRO HB2 1 63 THR H . . 4.760 4.006 3.878 4.069 . 0 0 "[ . 1 . 2]" 1
536 1 60 PRO HB2 1 63 THR HA . . 5.400 4.971 4.708 5.097 . 0 0 "[ . 1 . 2]" 1
537 1 60 PRO HB2 1 63 THR MG . . 5.040 4.985 4.924 5.040 . 0 0 "[ . 1 . 2]" 1
538 1 60 PRO HB2 1 113 ILE MD . . 5.500 5.568 5.518 5.719 0.219 13 0 "[ . 1 . 2]" 1
539 1 60 PRO HB2 1 114 THR MG . . 5.200 3.451 3.131 4.023 . 0 0 "[ . 1 . 2]" 1
540 1 60 PRO HB3 1 61 GLU H . . 4.660 3.563 3.519 3.616 . 0 0 "[ . 1 . 2]" 1
541 1 60 PRO HB3 1 62 GLU H . . 5.200 4.068 3.937 4.211 . 0 0 "[ . 1 . 2]" 1
542 1 60 PRO HB3 1 113 ILE MG . . 3.200 3.254 3.065 3.298 0.098 14 0 "[ . 1 . 2]" 1
543 1 60 PRO HB3 1 114 THR MG . . 3.190 2.508 2.082 3.286 0.096 8 0 "[ . 1 . 2]" 1
544 1 60 PRO HB3 1 117 ASN QD . . 4.750 4.369 3.539 4.806 0.056 10 0 "[ . 1 . 2]" 1
545 1 60 PRO HD2 1 63 THR MG . . 4.370 2.777 2.723 2.803 . 0 0 "[ . 1 . 2]" 1
546 1 60 PRO HD2 1 113 ILE MD . . 3.950 2.968 2.832 3.087 . 0 0 "[ . 1 . 2]" 1
547 1 60 PRO HD2 1 113 ILE MG . . 3.630 3.299 2.710 3.385 . 0 0 "[ . 1 . 2]" 1
548 1 60 PRO HD2 1 117 ASN HB2 . . 5.500 4.896 4.779 5.222 . 0 0 "[ . 1 . 2]" 1
549 1 60 PRO HD2 1 117 ASN HB3 . . 5.400 4.468 4.275 4.845 . 0 0 "[ . 1 . 2]" 1
550 1 60 PRO HD3 1 61 GLU H . . 5.500 5.463 5.439 5.498 . 0 0 "[ . 1 . 2]" 1
551 1 60 PRO HD3 1 63 THR MG . . 4.130 4.107 4.070 4.133 0.003 8 0 "[ . 1 . 2]" 1
552 1 60 PRO HD3 1 113 ILE HB . . 5.020 2.672 2.552 2.775 . 0 0 "[ . 1 . 2]" 1
553 1 60 PRO HD3 1 113 ILE MD . . 3.950 2.697 2.572 2.799 . 0 0 "[ . 1 . 2]" 1
554 1 60 PRO HD3 1 113 ILE MG . . 3.530 2.803 2.219 2.901 . 0 0 "[ . 1 . 2]" 1
555 1 60 PRO HD3 1 117 ASN HB2 . . 5.170 3.256 3.118 3.785 . 0 0 "[ . 1 . 2]" 1
556 1 60 PRO HD3 1 117 ASN HB3 . . 4.640 3.165 2.910 3.665 . 0 0 "[ . 1 . 2]" 1
557 1 60 PRO HG2 1 62 GLU H . . 3.480 3.122 2.955 3.390 . 0 0 "[ . 1 . 2]" 1
558 1 60 PRO HG2 1 63 THR MG . . 4.330 2.912 2.853 2.963 . 0 0 "[ . 1 . 2]" 1
559 1 60 PRO HG2 1 113 ILE MG . . 3.580 3.371 3.276 3.427 . 0 0 "[ . 1 . 2]" 1
560 1 60 PRO HG3 1 61 GLU H . . 5.500 5.148 5.070 5.254 . 0 0 "[ . 1 . 2]" 1
561 1 60 PRO HG3 1 62 GLU H . . 5.500 4.352 4.204 4.500 . 0 0 "[ . 1 . 2]" 1
562 1 60 PRO HG3 1 63 THR MG . . 3.330 3.524 3.490 3.572 0.242 13 0 "[ . 1 . 2]" 1
563 1 60 PRO HG3 1 71 LEU MD2 . . 5.500 5.139 4.927 5.211 . 0 0 "[ . 1 . 2]" 1
564 1 61 GLU H 1 61 GLU QB . . 2.810 2.534 2.510 2.615 . 0 0 "[ . 1 . 2]" 1
565 1 61 GLU H 1 61 GLU QG . . 3.220 1.987 1.898 2.801 . 0 0 "[ . 1 . 2]" 1
566 1 61 GLU H 1 62 GLU HA . . 5.500 5.213 5.134 5.260 . 0 0 "[ . 1 . 2]" 1
567 1 61 GLU H 1 63 THR H . . 4.870 4.559 4.384 4.622 . 0 0 "[ . 1 . 2]" 1
568 1 61 GLU H 1 114 THR MG . . 4.450 4.194 3.945 4.433 . 0 0 "[ . 1 . 2]" 1
569 1 61 GLU H 1 117 ASN QD . . 4.740 3.978 3.056 4.356 . 0 0 "[ . 1 . 2]" 1
570 1 61 GLU HA 1 61 GLU QG . . 3.490 3.347 3.325 3.483 . 0 0 "[ . 1 . 2]" 1
571 1 61 GLU HA 1 62 GLU H . . 3.500 3.358 3.312 3.479 . 0 0 "[ . 1 . 2]" 1
572 1 61 GLU HA 1 63 THR H . . 3.870 3.826 3.580 3.932 0.062 5 0 "[ . 1 . 2]" 1
573 1 61 GLU HA 1 88 HIS HB2 . . 3.830 2.771 2.365 2.927 . 0 0 "[ . 1 . 2]" 1
574 1 61 GLU HA 1 88 HIS HB3 . . 3.910 3.943 3.560 4.004 0.094 1 0 "[ . 1 . 2]" 1
575 1 61 GLU HA 1 88 HIS HD2 . . 3.560 2.242 2.187 2.408 . 0 0 "[ . 1 . 2]" 1
576 1 61 GLU QB 1 63 THR H . . 5.470 5.075 4.832 5.118 . 0 0 "[ . 1 . 2]" 1
577 1 61 GLU QB 1 88 HIS HB2 . . 5.240 4.386 3.934 4.524 . 0 0 "[ . 1 . 2]" 1
578 1 61 GLU QB 1 88 HIS HD2 . . 4.180 3.568 3.298 3.847 . 0 0 "[ . 1 . 2]" 1
579 1 61 GLU QG 1 62 GLU H . . 3.450 2.983 2.737 3.227 . 0 0 "[ . 1 . 2]" 1
580 1 61 GLU QG 1 88 HIS HB2 . . 5.500 5.510 5.409 5.606 0.106 17 0 "[ . 1 . 2]" 1
581 1 61 GLU QG 1 88 HIS HD2 . . 5.460 5.071 4.920 5.237 . 0 0 "[ . 1 . 2]" 1
582 1 61 GLU QG 1 114 THR MG . . 4.450 4.498 4.455 4.600 0.150 17 0 "[ . 1 . 2]" 1
583 1 62 GLU H 1 62 GLU HB2 . . 4.040 3.183 2.616 3.847 . 0 0 "[ . 1 . 2]" 1
584 1 62 GLU H 1 62 GLU HB3 . . 4.040 3.391 2.451 3.799 . 0 0 "[ . 1 . 2]" 1
585 1 62 GLU H 1 62 GLU QG . . 3.630 2.607 2.048 4.020 0.390 15 0 "[ . 1 . 2]" 1
586 1 62 GLU H 1 63 THR H . . 3.050 2.483 2.403 2.784 . 0 0 "[ . 1 . 2]" 1
587 1 62 GLU H 1 63 THR HA . . 5.220 4.399 4.328 4.739 . 0 0 "[ . 1 . 2]" 1
588 1 62 GLU H 1 63 THR MG . . 5.420 5.082 5.021 5.383 . 0 0 "[ . 1 . 2]" 1
589 1 62 GLU H 1 88 HIS HD2 . . 5.500 4.982 4.892 5.290 . 0 0 "[ . 1 . 2]" 1
590 1 62 GLU H 1 114 THR MG . . 5.500 5.205 4.836 5.555 0.055 13 0 "[ . 1 . 2]" 1
591 1 62 GLU HA 1 62 GLU QG . . 3.380 3.022 2.386 3.471 0.091 4 0 "[ . 1 . 2]" 1
592 1 62 GLU HA 1 63 THR H . . 2.880 3.065 3.029 3.134 0.254 11 0 "[ . 1 . 2]" 1
593 1 62 GLU QG 1 63 THR H . . 4.610 4.192 3.586 4.727 0.117 11 0 "[ . 1 . 2]" 1
594 1 63 THR H 1 63 THR MG . . 3.760 3.690 3.664 3.730 . 0 0 "[ . 1 . 2]" 1
595 1 63 THR H 1 88 HIS HA . . 5.260 4.847 4.554 5.086 . 0 0 "[ . 1 . 2]" 1
596 1 63 THR H 1 88 HIS HB2 . . 4.980 3.390 3.201 3.628 . 0 0 "[ . 1 . 2]" 1
597 1 63 THR H 1 88 HIS HB3 . . 5.120 4.848 4.620 5.035 . 0 0 "[ . 1 . 2]" 1
598 1 63 THR HA 1 63 THR MG . . 2.900 2.165 2.149 2.188 . 0 0 "[ . 1 . 2]" 1
599 1 63 THR HA 1 64 ASN H . . 2.790 2.251 2.220 2.286 . 0 0 "[ . 1 . 2]" 1
600 1 63 THR HA 1 67 MET ME . . 3.110 2.100 2.049 2.138 . 0 0 "[ . 1 . 2]" 1
601 1 63 THR HB 1 64 ASN H . . 3.830 3.549 3.515 3.625 . 0 0 "[ . 1 . 2]" 1
602 1 63 THR HB 1 88 HIS HB2 . . 4.860 4.203 3.972 4.337 . 0 0 "[ . 1 . 2]" 1
603 1 63 THR MG 1 64 ASN H . . 3.040 2.140 2.110 2.184 . 0 0 "[ . 1 . 2]" 1
604 1 63 THR MG 1 64 ASN HA . . 4.460 3.801 3.692 3.853 . 0 0 "[ . 1 . 2]" 1
605 1 63 THR MG 1 64 ASN QB . . 5.340 4.584 4.522 4.607 . 0 0 "[ . 1 . 2]" 1
606 1 63 THR MG 1 67 MET H . . 5.080 4.722 4.626 4.769 . 0 0 "[ . 1 . 2]" 1
607 1 63 THR MG 1 67 MET HB3 . . 3.550 3.437 3.359 3.509 . 0 0 "[ . 1 . 2]" 1
608 1 63 THR MG 1 67 MET HG2 . . 5.270 3.695 3.601 3.789 . 0 0 "[ . 1 . 2]" 1
609 1 63 THR MG 1 67 MET HG3 . . 5.270 5.099 5.038 5.157 . 0 0 "[ . 1 . 2]" 1
610 1 63 THR MG 1 67 MET ME . . 2.660 2.177 2.108 2.268 . 0 0 "[ . 1 . 2]" 1
611 1 63 THR MG 1 68 LEU HA . . 4.950 3.964 3.863 4.003 . 0 0 "[ . 1 . 2]" 1
612 1 63 THR MG 1 71 LEU HG . . 5.500 5.593 5.569 5.613 0.113 11 0 "[ . 1 . 2]" 1
613 1 63 THR MG 1 71 LEU MD1 . . 4.510 4.500 4.439 4.545 0.035 13 0 "[ . 1 . 2]" 1
614 1 63 THR MG 1 71 LEU MD2 . . 4.160 3.711 3.677 3.796 . 0 0 "[ . 1 . 2]" 1
615 1 63 THR MG 1 88 HIS HB2 . . 5.500 5.406 5.260 5.514 0.014 2 0 "[ . 1 . 2]" 1
616 1 63 THR MG 1 93 VAL MG2 . . 5.500 5.521 5.486 5.571 0.071 12 0 "[ . 1 . 2]" 1
617 1 64 ASN H 1 64 ASN HD21 . . 4.330 3.386 3.354 3.415 . 0 0 "[ . 1 . 2]" 1
618 1 64 ASN H 1 65 GLU H . . 4.880 4.395 4.386 4.415 . 0 0 "[ . 1 . 2]" 1
619 1 64 ASN H 1 65 GLU HA . . 5.190 4.860 4.823 4.917 . 0 0 "[ . 1 . 2]" 1
620 1 64 ASN H 1 66 LEU H . . 5.350 4.764 4.682 4.833 . 0 0 "[ . 1 . 2]" 1
621 1 64 ASN H 1 67 MET H . . 4.140 3.618 3.498 3.663 . 0 0 "[ . 1 . 2]" 1
622 1 64 ASN H 1 67 MET HB2 . . 4.190 4.188 4.109 4.225 0.035 12 0 "[ . 1 . 2]" 1
623 1 64 ASN H 1 67 MET HB3 . . 4.070 2.748 2.685 2.780 . 0 0 "[ . 1 . 2]" 1
624 1 64 ASN H 1 67 MET ME . . 3.560 2.815 2.725 2.881 . 0 0 "[ . 1 . 2]" 1
625 1 64 ASN H 1 67 MET QG . . 4.340 4.357 4.323 4.401 0.061 5 0 "[ . 1 . 2]" 1
626 1 64 ASN H 1 68 LEU H . . 3.770 3.552 3.495 3.616 . 0 0 "[ . 1 . 2]" 1
627 1 64 ASN HA 1 64 ASN HD22 . . 4.700 3.415 3.407 3.426 . 0 0 "[ . 1 . 2]" 1
628 1 64 ASN HA 1 65 GLU H . . 3.020 2.516 2.496 2.544 . 0 0 "[ . 1 . 2]" 1
629 1 64 ASN HA 1 66 LEU H . . 4.830 4.416 4.380 4.477 . 0 0 "[ . 1 . 2]" 1
630 1 64 ASN HA 1 83 LEU MD1 . . 3.230 2.761 2.632 2.888 . 0 0 "[ . 1 . 2]" 1
631 1 64 ASN HA 1 83 LEU MD2 . . 3.670 3.719 3.697 3.742 0.072 1 0 "[ . 1 . 2]" 1
632 1 64 ASN HB2 1 65 GLU H . . 3.290 2.322 2.284 2.348 . 0 0 "[ . 1 . 2]" 1
633 1 64 ASN HB2 1 83 LEU MD1 . . 4.560 3.837 3.790 3.927 . 0 0 "[ . 1 . 2]" 1
634 1 64 ASN HB3 1 65 GLU H . . 3.690 3.741 3.708 3.760 0.070 20 0 "[ . 1 . 2]" 1
635 1 64 ASN HB3 1 83 LEU MD1 . . 4.560 4.521 4.425 4.635 0.075 10 0 "[ . 1 . 2]" 1
636 1 64 ASN HD22 1 65 GLU H . . 4.780 3.777 3.717 3.813 . 0 0 "[ . 1 . 2]" 1
637 1 64 ASN HD22 1 66 LEU QB . . 4.960 3.580 3.471 3.664 . 0 0 "[ . 1 . 2]" 1
638 1 64 ASN HD22 1 67 MET H . . 4.740 1.884 1.831 1.918 . 0 0 "[ . 1 . 2]" 1
639 1 64 ASN HD22 1 67 MET HB2 . . 4.440 3.203 3.169 3.244 . 0 0 "[ . 1 . 2]" 1
640 1 64 ASN HD22 1 67 MET ME . . 4.010 3.413 3.366 3.485 . 0 0 "[ . 1 . 2]" 1
641 1 64 ASN HD22 1 67 MET QG . . 5.120 4.301 4.280 4.329 . 0 0 "[ . 1 . 2]" 1
642 1 64 ASN HD22 1 68 LEU H . . 3.860 3.015 2.984 3.049 . 0 0 "[ . 1 . 2]" 1
643 1 64 ASN HD21 1 65 GLU H . . 5.800 4.991 4.965 5.026 . 0 0 "[ . 1 . 2]" 1
644 1 64 ASN HD21 1 66 LEU H . . 4.850 3.554 3.461 3.604 . 0 0 "[ . 1 . 2]" 1
645 1 64 ASN HD21 1 67 MET H . . 4.470 1.950 1.916 1.995 . 0 0 "[ . 1 . 2]" 1
646 1 64 ASN HD21 1 67 MET HB2 . . 4.740 2.293 2.216 2.368 . 0 0 "[ . 1 . 2]" 1
647 1 64 ASN HD21 1 68 LEU H . . 4.380 4.032 4.016 4.059 . 0 0 "[ . 1 . 2]" 1
648 1 64 ASN QB 1 65 GLU H . . 2.790 2.301 2.263 2.325 . 0 0 "[ . 1 . 2]" 1
649 1 64 ASN QB 1 65 GLU HA . . 5.340 4.675 4.656 4.689 . 0 0 "[ . 1 . 2]" 1
650 1 64 ASN QB 1 65 GLU QB . . 4.750 3.880 3.860 3.910 . 0 0 "[ . 1 . 2]" 1
651 1 64 ASN QB 1 66 LEU H . . 3.660 3.133 3.083 3.191 . 0 0 "[ . 1 . 2]" 1
652 1 64 ASN QB 1 66 LEU QB . . 5.340 3.937 3.838 4.018 . 0 0 "[ . 1 . 2]" 1
653 1 64 ASN QB 1 67 MET H . . 4.720 4.159 4.141 4.186 . 0 0 "[ . 1 . 2]" 1
654 1 64 ASN QB 1 83 LEU MD1 . . 3.970 3.639 3.590 3.727 . 0 0 "[ . 1 . 2]" 1
655 1 65 GLU H 1 65 GLU HB2 . . 3.840 2.274 2.152 2.334 . 0 0 "[ . 1 . 2]" 1
656 1 65 GLU H 1 65 GLU HB3 . . 3.840 2.613 2.507 2.874 . 0 0 "[ . 1 . 2]" 1
657 1 65 GLU H 1 65 GLU HG2 . . 4.300 4.320 4.281 4.389 0.089 10 0 "[ . 1 . 2]" 1
658 1 65 GLU H 1 65 GLU HG3 . . 4.150 4.355 4.112 4.446 0.296 1 0 "[ . 1 . 2]" 1
659 1 65 GLU H 1 66 LEU H . . 3.190 2.693 2.657 2.730 . 0 0 "[ . 1 . 2]" 1
660 1 65 GLU H 1 66 LEU QB . . 4.820 4.408 4.361 4.458 . 0 0 "[ . 1 . 2]" 1
661 1 65 GLU H 1 67 MET H . . 4.920 4.483 4.437 4.530 . 0 0 "[ . 1 . 2]" 1
662 1 65 GLU H 1 83 LEU HG . . 5.060 4.587 4.514 4.705 . 0 0 "[ . 1 . 2]" 1
663 1 65 GLU H 1 83 LEU MD1 . . 3.390 2.224 2.187 2.268 . 0 0 "[ . 1 . 2]" 1
664 1 65 GLU HA 1 65 GLU HG2 . . 3.690 2.320 2.283 2.380 . 0 0 "[ . 1 . 2]" 1
665 1 65 GLU HA 1 65 GLU HG3 . . 3.650 3.330 2.683 3.543 . 0 0 "[ . 1 . 2]" 1
666 1 65 GLU HA 1 68 LEU H . . 4.060 3.580 3.480 3.710 . 0 0 "[ . 1 . 2]" 1
667 1 65 GLU HA 1 68 LEU HB2 . . 4.280 3.216 3.112 3.344 . 0 0 "[ . 1 . 2]" 1
668 1 65 GLU HA 1 68 LEU HB3 . . 4.890 2.961 2.746 3.208 . 0 0 "[ . 1 . 2]" 1
669 1 65 GLU HA 1 83 LEU MD1 . . 3.630 2.653 2.437 2.766 . 0 0 "[ . 1 . 2]" 1
670 1 65 GLU HA 1 83 LEU MD2 . . 3.670 2.794 2.564 2.923 . 0 0 "[ . 1 . 2]" 1
671 1 65 GLU HB2 1 66 LEU H . . 4.000 3.941 3.714 4.018 0.018 1 0 "[ . 1 . 2]" 1
672 1 65 GLU HB2 1 83 LEU MD2 . . 4.690 3.528 3.424 3.761 . 0 0 "[ . 1 . 2]" 1
673 1 65 GLU HB3 1 66 LEU H . . 4.000 2.932 2.853 2.960 . 0 0 "[ . 1 . 2]" 1
674 1 65 GLU HB3 1 83 LEU MD2 . . 4.690 4.795 4.757 4.826 0.136 9 0 "[ . 1 . 2]" 1
675 1 65 GLU HG2 1 66 LEU HA . . 5.500 5.159 4.745 5.344 . 0 0 "[ . 1 . 2]" 1
676 1 65 GLU HG2 1 78 PHE HZ . . 5.500 5.683 5.589 5.766 0.266 11 0 "[ . 1 . 2]" 1
677 1 65 GLU HG2 1 81 VAL H . . 5.500 5.010 4.805 5.239 . 0 0 "[ . 1 . 2]" 1
678 1 65 GLU HG2 1 82 ARG HA . . 5.500 5.319 4.957 5.692 0.192 18 0 "[ . 1 . 2]" 1
679 1 65 GLU HG2 1 83 LEU H . . 5.500 5.548 5.350 5.807 0.307 9 0 "[ . 1 . 2]" 1
680 1 65 GLU HG2 1 83 LEU HG . . 4.010 3.565 3.451 3.762 . 0 0 "[ . 1 . 2]" 1
681 1 65 GLU HG2 1 83 LEU MD1 . . 3.390 3.587 3.551 3.623 0.233 2 0 "[ . 1 . 2]" 1
682 1 65 GLU HG2 1 83 LEU MD2 . . 3.900 3.768 3.614 3.901 0.001 5 0 "[ . 1 . 2]" 1
683 1 65 GLU HG3 1 82 ARG HA . . 5.180 4.845 4.222 5.237 0.057 12 0 "[ . 1 . 2]" 1
684 1 65 GLU HG3 1 83 LEU H . . 4.960 4.827 4.028 5.133 0.173 19 0 "[ . 1 . 2]" 1
685 1 65 GLU HG3 1 83 LEU HG . . 4.650 3.156 2.188 3.578 . 0 0 "[ . 1 . 2]" 1
686 1 65 GLU HG3 1 83 LEU MD1 . . 3.780 3.287 2.578 3.559 . 0 0 "[ . 1 . 2]" 1
687 1 65 GLU QB 1 65 GLU HG2 . . 2.570 2.466 2.444 2.515 . 0 0 "[ . 1 . 2]" 1
688 1 65 GLU QB 1 65 GLU HG3 . . 2.570 2.158 2.117 2.265 . 0 0 "[ . 1 . 2]" 1
689 1 65 GLU QB 1 66 LEU H . . 3.300 2.855 2.765 2.886 . 0 0 "[ . 1 . 2]" 1
690 1 65 GLU QB 1 66 LEU HA . . 5.050 4.083 3.830 4.189 . 0 0 "[ . 1 . 2]" 1
691 1 65 GLU QB 1 83 LEU MD1 . . 3.220 1.906 1.870 1.930 . 0 0 "[ . 1 . 2]" 1
692 1 65 GLU QB 1 83 LEU MD2 . . 4.030 3.441 3.350 3.636 . 0 0 "[ . 1 . 2]" 1
693 1 66 LEU H 1 66 LEU QB . . 2.510 2.208 2.190 2.220 . 0 0 "[ . 1 . 2]" 1
694 1 66 LEU H 1 67 MET HA . . 5.500 5.322 5.277 5.344 . 0 0 "[ . 1 . 2]" 1
695 1 66 LEU H 1 68 LEU H . . 4.700 4.096 4.045 4.151 . 0 0 "[ . 1 . 2]" 1
696 1 66 LEU H 1 69 SER H . . 5.090 4.710 4.660 4.789 . 0 0 "[ . 1 . 2]" 1
697 1 66 LEU H 1 69 SER QB . . 5.340 5.115 4.734 5.361 0.021 12 0 "[ . 1 . 2]" 1
698 1 66 LEU HA 1 66 LEU HG . . 3.900 2.988 2.442 3.148 . 0 0 "[ . 1 . 2]" 1
699 1 66 LEU HG 1 67 MET H . . 4.260 3.914 3.744 4.417 0.157 2 0 "[ . 1 . 2]" 1
700 1 66 LEU HG 1 67 MET HA . . 4.760 3.849 3.628 4.616 . 0 0 "[ . 1 . 2]" 1
701 1 66 LEU HG 1 70 MET H . . 5.500 5.088 4.970 5.259 . 0 0 "[ . 1 . 2]" 1
702 1 66 LEU HG 1 70 MET ME . . 2.970 2.967 2.721 3.033 0.063 14 0 "[ . 1 . 2]" 1
703 1 66 LEU HG 1 70 MET QG . . 4.550 3.393 3.247 3.647 . 0 0 "[ . 1 . 2]" 1
704 1 66 LEU QB 1 67 MET H . . 2.840 2.631 2.588 2.677 . 0 0 "[ . 1 . 2]" 1
705 1 66 LEU QB 1 67 MET HA . . 4.450 4.282 4.249 4.352 . 0 0 "[ . 1 . 2]" 1
706 1 66 LEU QB 1 67 MET HB2 . . 4.570 4.220 4.185 4.263 . 0 0 "[ . 1 . 2]" 1
707 1 66 LEU QB 1 67 MET HB3 . . 4.770 4.630 4.577 4.681 . 0 0 "[ . 1 . 2]" 1
708 1 66 LEU QB 1 68 LEU H . . 4.970 4.744 4.714 4.797 . 0 0 "[ . 1 . 2]" 1
709 1 66 LEU QB 1 70 MET ME . . 5.050 4.449 4.411 4.584 . 0 0 "[ . 1 . 2]" 1
710 1 66 LEU QB 1 70 MET QG . . 5.070 4.729 4.652 4.803 . 0 0 "[ . 1 . 2]" 1
711 1 67 MET H 1 67 MET HB2 . . 2.890 2.741 2.715 2.759 . 0 0 "[ . 1 . 2]" 1
712 1 67 MET H 1 67 MET HB3 . . 2.890 2.383 2.369 2.407 . 0 0 "[ . 1 . 2]" 1
713 1 67 MET H 1 67 MET HG2 . . 4.730 4.340 4.315 4.361 . 0 0 "[ . 1 . 2]" 1
714 1 67 MET H 1 67 MET HG3 . . 4.730 4.482 4.474 4.494 . 0 0 "[ . 1 . 2]" 1
715 1 67 MET H 1 67 MET QG . . 4.050 3.926 3.916 3.936 . 0 0 "[ . 1 . 2]" 1
716 1 67 MET H 1 68 LEU H . . 3.080 2.467 2.437 2.511 . 0 0 "[ . 1 . 2]" 1
717 1 67 MET H 1 69 SER H . . 4.440 3.989 3.929 4.061 . 0 0 "[ . 1 . 2]" 1
718 1 67 MET H 1 70 MET H . . 4.770 4.821 4.777 4.865 0.095 8 0 "[ . 1 . 2]" 1
719 1 67 MET H 1 70 MET QG . . 5.090 4.723 4.701 4.750 . 0 0 "[ . 1 . 2]" 1
720 1 67 MET HA 1 67 MET HG2 . . 3.610 3.341 3.301 3.360 . 0 0 "[ . 1 . 2]" 1
721 1 67 MET HA 1 67 MET HG3 . . 3.610 2.459 2.436 2.478 . 0 0 "[ . 1 . 2]" 1
722 1 67 MET HA 1 70 MET QB . . 3.820 2.999 2.922 3.048 . 0 0 "[ . 1 . 2]" 1
723 1 67 MET HA 1 70 MET QG . . 3.680 2.879 2.822 2.946 . 0 0 "[ . 1 . 2]" 1
724 1 67 MET HA 1 71 LEU MD2 . . 3.940 4.013 3.989 4.066 0.126 13 0 "[ . 1 . 2]" 1
725 1 67 MET HB2 1 68 LEU H . . 3.830 3.960 3.933 3.974 0.144 13 0 "[ . 1 . 2]" 1
726 1 67 MET HB3 1 67 MET ME . . 2.700 2.268 2.233 2.283 . 0 0 "[ . 1 . 2]" 1
727 1 67 MET HB3 1 68 LEU H . . 3.710 2.636 2.596 2.668 . 0 0 "[ . 1 . 2]" 1
728 1 67 MET HB3 1 68 LEU HB3 . . 5.500 5.375 5.277 5.432 . 0 0 "[ . 1 . 2]" 1
729 1 67 MET HB3 1 71 LEU HG . . 5.500 5.538 5.515 5.554 0.054 1 0 "[ . 1 . 2]" 1
730 1 67 MET HB3 1 113 ILE MD . . 5.500 5.511 5.334 5.556 0.056 10 0 "[ . 1 . 2]" 1
731 1 67 MET HG2 1 68 LEU H . . 4.510 3.553 3.480 3.605 . 0 0 "[ . 1 . 2]" 1
732 1 67 MET HG2 1 68 LEU HA . . 5.500 3.406 3.347 3.444 . 0 0 "[ . 1 . 2]" 1
733 1 67 MET HG2 1 71 LEU MD1 . . 5.150 4.384 4.317 4.429 . 0 0 "[ . 1 . 2]" 1
734 1 67 MET HG3 1 68 LEU H . . 4.510 4.423 4.401 4.438 . 0 0 "[ . 1 . 2]" 1
735 1 67 MET HG3 1 68 LEU HA . . 5.500 4.598 4.553 4.656 . 0 0 "[ . 1 . 2]" 1
736 1 67 MET HG3 1 71 LEU MD1 . . 5.150 5.259 5.236 5.277 0.127 4 0 "[ . 1 . 2]" 1
737 1 67 MET ME 1 113 ILE HB . . 5.100 4.899 4.671 5.056 . 0 0 "[ . 1 . 2]" 1
738 1 67 MET ME 1 67 MET QG . . 2.600 2.412 2.348 2.442 . 0 0 "[ . 1 . 2]" 1
739 1 67 MET QG 1 68 LEU HA . . 4.740 3.320 3.273 3.352 . 0 0 "[ . 1 . 2]" 1
740 1 67 MET QG 1 71 LEU MD1 . . 4.480 4.178 4.129 4.208 . 0 0 "[ . 1 . 2]" 1
741 1 67 MET QG 1 71 LEU MD2 . . 4.830 2.063 1.997 2.164 . 0 0 "[ . 1 . 2]" 1
742 1 67 MET QG 1 113 ILE MD . . 4.500 3.817 3.629 3.873 . 0 0 "[ . 1 . 2]" 1
743 1 68 LEU H 1 68 LEU HB2 . . 2.900 2.131 2.080 2.159 . 0 0 "[ . 1 . 2]" 1
744 1 68 LEU H 1 68 LEU HB3 . . 3.470 2.863 2.798 2.893 . 0 0 "[ . 1 . 2]" 1
745 1 68 LEU H 1 68 LEU HG . . 4.350 4.435 4.170 4.458 0.108 3 0 "[ . 1 . 2]" 1
746 1 68 LEU H 1 68 LEU MD1 . . 4.290 3.575 3.527 3.890 . 0 0 "[ . 1 . 2]" 1
747 1 68 LEU H 1 68 LEU MD2 . . 4.290 4.254 4.233 4.312 0.022 12 0 "[ . 1 . 2]" 1
748 1 68 LEU H 1 69 SER H . . 3.050 2.619 2.583 2.668 . 0 0 "[ . 1 . 2]" 1
749 1 68 LEU H 1 70 MET H . . 4.410 4.154 4.083 4.202 . 0 0 "[ . 1 . 2]" 1
750 1 68 LEU HA 1 68 LEU MD1 . . 4.040 2.111 2.005 3.520 . 0 0 "[ . 1 . 2]" 1
751 1 68 LEU HA 1 68 LEU MD2 . . 4.040 3.730 3.068 3.772 . 0 0 "[ . 1 . 2]" 1
752 1 68 LEU HA 1 71 LEU H . . 4.130 3.590 3.552 3.692 . 0 0 "[ . 1 . 2]" 1
753 1 68 LEU HA 1 71 LEU HB2 . . 4.960 4.910 4.868 5.025 0.065 12 0 "[ . 1 . 2]" 1
754 1 68 LEU HA 1 71 LEU HG . . 5.080 2.275 2.219 2.380 . 0 0 "[ . 1 . 2]" 1
755 1 68 LEU HA 1 71 LEU MD1 . . 3.760 2.267 2.244 2.308 . 0 0 "[ . 1 . 2]" 1
756 1 68 LEU HA 1 71 LEU MD2 . . 4.310 2.124 2.096 2.280 . 0 0 "[ . 1 . 2]" 1
757 1 68 LEU HB2 1 68 LEU MD1 . . 3.270 2.241 2.155 2.279 . 0 0 "[ . 1 . 2]" 1
758 1 68 LEU HB2 1 68 LEU MD2 . . 3.270 2.529 2.484 3.128 . 0 0 "[ . 1 . 2]" 1
759 1 68 LEU HB2 1 69 SER H . . 3.390 3.543 3.477 3.561 0.171 13 0 "[ . 1 . 2]" 1
760 1 68 LEU HB2 1 69 SER QB . . 5.210 5.264 5.130 5.549 0.339 10 0 "[ . 1 . 2]" 1
761 1 68 LEU HB2 1 91 ALA MB . . 4.810 4.416 4.273 4.598 . 0 0 "[ . 1 . 2]" 1
762 1 68 LEU HB3 1 68 LEU HG . . 3.000 2.613 2.568 3.022 0.022 12 0 "[ . 1 . 2]" 1
763 1 68 LEU HB3 1 68 LEU MD1 . . 3.190 3.160 2.612 3.195 0.005 14 0 "[ . 1 . 2]" 1
764 1 68 LEU HB3 1 68 LEU MD2 . . 3.190 2.267 2.205 2.281 . 0 0 "[ . 1 . 2]" 1
765 1 68 LEU HB3 1 69 SER H . . 4.140 2.667 2.567 2.703 . 0 0 "[ . 1 . 2]" 1
766 1 68 LEU HB3 1 81 VAL MG1 . . 3.880 2.389 2.228 2.615 . 0 0 "[ . 1 . 2]" 1
767 1 68 LEU HB3 1 81 VAL MG2 . . 3.880 3.127 2.869 3.541 . 0 0 "[ . 1 . 2]" 1
768 1 68 LEU HB3 1 93 VAL MG2 . . 3.840 3.721 3.631 4.000 0.160 12 0 "[ . 1 . 2]" 1
769 1 68 LEU HG 1 71 LEU HG . . 4.560 3.969 3.853 4.104 . 0 0 "[ . 1 . 2]" 1
770 1 68 LEU HG 1 71 LEU MD1 . . 3.120 2.487 2.419 2.507 . 0 0 "[ . 1 . 2]" 1
771 1 68 LEU HG 1 71 LEU MD2 . . 3.830 3.875 3.488 3.918 0.088 5 0 "[ . 1 . 2]" 1
772 1 68 LEU HG 1 93 VAL MG2 . . 3.420 2.738 2.619 3.753 0.333 12 0 "[ . 1 . 2]" 1
773 1 68 LEU HG 1 119 MET ME . . 2.990 2.976 2.707 3.113 0.123 13 0 "[ . 1 . 2]" 1
774 1 68 LEU MD1 1 69 SER H . . 4.630 4.731 4.704 4.747 0.117 13 0 "[ . 1 . 2]" 1
775 1 68 LEU MD1 1 71 LEU MD2 . . 4.640 2.449 2.319 4.402 . 0 0 "[ . 1 . 2]" 1
776 1 68 LEU MD1 1 91 ALA MB . . 3.070 2.945 1.968 3.078 0.008 2 0 "[ . 1 . 2]" 1
777 1 68 LEU MD1 1 93 VAL MG2 . . 4.070 3.574 3.235 3.646 . 0 0 "[ . 1 . 2]" 1
778 1 68 LEU MD2 1 69 SER H . . 4.630 4.462 3.748 4.518 . 0 0 "[ . 1 . 2]" 1
779 1 68 LEU MD2 1 71 LEU MD2 . . 4.640 4.681 4.370 4.712 0.072 6 0 "[ . 1 . 2]" 1
780 1 68 LEU MD2 1 91 ALA MB . . 3.070 2.054 1.926 3.028 . 0 0 "[ . 1 . 2]" 1
781 1 68 LEU MD2 1 93 VAL MG2 . . 4.070 2.058 1.717 2.129 . 0 0 "[ . 1 . 2]" 1
782 1 69 SER H 1 69 SER HB2 . . 3.640 3.149 2.416 3.623 . 0 0 "[ . 1 . 2]" 1
783 1 69 SER H 1 69 SER HB3 . . 3.640 2.573 2.390 3.583 . 0 0 "[ . 1 . 2]" 1
784 1 69 SER H 1 69 SER QB . . 3.100 2.368 2.214 2.485 . 0 0 "[ . 1 . 2]" 1
785 1 69 SER H 1 70 MET H . . 3.110 2.727 2.693 2.787 . 0 0 "[ . 1 . 2]" 1
786 1 69 SER H 1 70 MET QG . . 5.210 4.202 4.152 4.251 . 0 0 "[ . 1 . 2]" 1
787 1 69 SER H 1 71 LEU H . . 4.920 4.291 4.259 4.399 . 0 0 "[ . 1 . 2]" 1
788 1 69 SER HA 1 71 LEU H . . 5.370 4.385 4.319 4.468 . 0 0 "[ . 1 . 2]" 1
789 1 69 SER HA 1 72 PHE H . . 4.010 3.518 3.419 3.601 . 0 0 "[ . 1 . 2]" 1
790 1 69 SER HA 1 72 PHE HB2 . . 4.890 3.047 2.938 3.169 . 0 0 "[ . 1 . 2]" 1
791 1 69 SER HA 1 72 PHE QD . . 5.500 4.447 4.131 4.594 . 0 0 "[ . 1 . 2]" 1
792 1 69 SER HA 1 78 PHE HZ . . 3.690 3.005 2.749 3.278 . 0 0 "[ . 1 . 2]" 1
793 1 69 SER HA 1 78 PHE QE . . 3.460 3.211 2.634 3.310 . 0 0 "[ . 1 . 2]" 1
794 1 69 SER HA 1 81 VAL MG1 . . 4.030 4.069 3.944 4.108 0.078 13 0 "[ . 1 . 2]" 1
795 1 69 SER HA 1 81 VAL MG2 . . 4.030 2.256 2.154 2.370 . 0 0 "[ . 1 . 2]" 1
796 1 69 SER HA 1 93 VAL MG1 . . 4.960 4.218 4.121 4.342 . 0 0 "[ . 1 . 2]" 1
797 1 69 SER QB 1 78 PHE HZ . . 3.930 2.675 2.304 3.199 . 0 0 "[ . 1 . 2]" 1
798 1 69 SER QB 1 81 VAL H . . 5.340 5.332 5.039 5.564 0.224 10 0 "[ . 1 . 2]" 1
799 1 70 MET H 1 70 MET HG2 . . 3.770 2.128 2.093 2.186 . 0 0 "[ . 1 . 2]" 1
800 1 70 MET H 1 70 MET HG3 . . 3.770 3.434 3.367 3.484 . 0 0 "[ . 1 . 2]" 1
801 1 70 MET H 1 70 MET QB . . 2.780 2.415 2.394 2.451 . 0 0 "[ . 1 . 2]" 1
802 1 70 MET H 1 71 LEU H . . 3.130 2.667 2.641 2.697 . 0 0 "[ . 1 . 2]" 1
803 1 70 MET H 1 71 LEU HB3 . . 5.460 5.347 5.303 5.374 . 0 0 "[ . 1 . 2]" 1
804 1 70 MET H 1 71 LEU MD1 . . 5.360 5.029 4.991 5.065 . 0 0 "[ . 1 . 2]" 1
805 1 70 MET H 1 72 PHE H . . 4.310 4.039 3.996 4.090 . 0 0 "[ . 1 . 2]" 1
806 1 70 MET H 1 73 ASN H . . 4.500 4.524 4.499 4.544 0.044 2 0 "[ . 1 . 2]" 1
807 1 70 MET HA 1 70 MET QG . . 3.470 2.775 2.705 2.842 . 0 0 "[ . 1 . 2]" 1
808 1 70 MET HA 1 72 PHE H . . 4.310 4.047 4.009 4.077 . 0 0 "[ . 1 . 2]" 1
809 1 70 MET HA 1 73 ASN H . . 3.850 3.236 3.185 3.266 . 0 0 "[ . 1 . 2]" 1
810 1 70 MET HA 1 73 ASN HB2 . . 4.340 3.404 3.308 3.472 . 0 0 "[ . 1 . 2]" 1
811 1 70 MET HA 1 73 ASN HB3 . . 4.200 2.475 2.438 2.543 . 0 0 "[ . 1 . 2]" 1
812 1 70 MET HA 1 73 ASN HD21 . . 5.270 5.274 5.243 5.318 0.048 12 0 "[ . 1 . 2]" 1
813 1 70 MET HA 1 73 ASN HD22 . . 5.270 3.586 3.543 3.635 . 0 0 "[ . 1 . 2]" 1
814 1 70 MET ME 1 70 MET HG2 . . 2.990 2.395 2.371 2.425 . 0 0 "[ . 1 . 2]" 1
815 1 70 MET HG2 1 71 LEU H . . 4.900 4.289 4.264 4.322 . 0 0 "[ . 1 . 2]" 1
816 1 70 MET HG2 1 71 LEU MD2 . . 5.800 5.632 5.549 5.753 . 0 0 "[ . 1 . 2]" 1
817 1 70 MET ME 1 70 MET HG3 . . 2.990 2.538 2.516 2.556 . 0 0 "[ . 1 . 2]" 1
818 1 70 MET HG3 1 71 LEU H . . 4.900 4.868 4.767 4.922 0.022 3 0 "[ . 1 . 2]" 1
819 1 70 MET HG3 1 71 LEU MD2 . . 5.800 5.602 5.572 5.650 . 0 0 "[ . 1 . 2]" 1
820 1 70 MET QB 1 71 LEU H . . 3.380 2.591 2.510 2.622 . 0 0 "[ . 1 . 2]" 1
821 1 70 MET QB 1 73 ASN HB2 . . 5.500 5.386 5.317 5.454 . 0 0 "[ . 1 . 2]" 1
822 1 70 MET ME 1 73 ASN HB2 . . 5.500 5.530 5.509 5.543 0.043 6 0 "[ . 1 . 2]" 1
823 1 70 MET ME 1 70 MET QG . . 2.610 2.191 2.176 2.211 . 0 0 "[ . 1 . 2]" 1
824 1 70 MET QG 1 71 LEU H . . 4.270 4.023 3.984 4.059 . 0 0 "[ . 1 . 2]" 1
825 1 70 MET QG 1 71 LEU MD2 . . 4.780 5.004 4.963 5.056 0.276 13 0 "[ . 1 . 2]" 1
826 1 71 LEU H 1 71 LEU HB2 . . 3.660 3.600 3.590 3.611 . 0 0 "[ . 1 . 2]" 1
827 1 71 LEU H 1 71 LEU HB3 . . 3.130 2.898 2.858 2.916 . 0 0 "[ . 1 . 2]" 1
828 1 71 LEU H 1 71 LEU HG . . 3.450 1.712 1.699 1.736 . 0 0 "[ . 1 . 2]" 1
829 1 71 LEU H 1 71 LEU MD1 . . 4.060 3.290 3.263 3.305 . 0 0 "[ . 1 . 2]" 1
830 1 71 LEU H 1 71 LEU MD2 . . 3.380 3.028 3.010 3.073 . 0 0 "[ . 1 . 2]" 1
831 1 71 LEU H 1 72 PHE H . . 3.040 2.523 2.507 2.556 . 0 0 "[ . 1 . 2]" 1
832 1 71 LEU H 1 73 ASN H . . 4.270 3.910 3.883 3.944 . 0 0 "[ . 1 . 2]" 1
833 1 71 LEU HA 1 71 LEU MD1 . . 4.080 3.797 3.781 3.831 . 0 0 "[ . 1 . 2]" 1
834 1 71 LEU HA 1 74 GLN HE21 . . 4.020 3.014 2.959 3.101 . 0 0 "[ . 1 . 2]" 1
835 1 71 LEU HA 1 74 GLN HE22 . . 4.130 2.591 2.499 2.652 . 0 0 "[ . 1 . 2]" 1
836 1 71 LEU HA 1 74 GLN QG . . 4.260 2.733 2.647 2.905 . 0 0 "[ . 1 . 2]" 1
837 1 71 LEU HA 1 108 LEU MD1 . . 5.200 4.970 4.841 5.009 . 0 0 "[ . 1 . 2]" 1
838 1 71 LEU HA 1 111 PHE HZ . . 4.830 4.225 4.103 4.453 . 0 0 "[ . 1 . 2]" 1
839 1 71 LEU HA 1 111 PHE QE . . 4.380 3.640 3.539 4.187 . 0 0 "[ . 1 . 2]" 1
840 1 71 LEU HB2 1 71 LEU MD1 . . 3.180 2.200 2.180 2.210 . 0 0 "[ . 1 . 2]" 1
841 1 71 LEU HB2 1 72 PHE H . . 3.940 4.128 4.116 4.154 0.214 13 0 "[ . 1 . 2]" 1
842 1 71 LEU HB2 1 74 GLN HE21 . . 5.070 3.640 3.529 3.727 . 0 0 "[ . 1 . 2]" 1
843 1 71 LEU HB2 1 108 LEU MD1 . . 4.300 3.767 3.686 3.792 . 0 0 "[ . 1 . 2]" 1
844 1 71 LEU HB2 1 108 LEU MD2 . . 3.920 4.040 3.697 4.103 0.183 12 0 "[ . 1 . 2]" 1
845 1 71 LEU HB2 1 111 PHE QD . . 4.440 3.470 3.419 3.541 . 0 0 "[ . 1 . 2]" 1
846 1 71 LEU HB2 1 119 MET ME . . 5.270 4.099 3.836 4.217 . 0 0 "[ . 1 . 2]" 1
847 1 71 LEU HB3 1 71 LEU MD1 . . 3.210 3.117 3.103 3.136 . 0 0 "[ . 1 . 2]" 1
848 1 71 LEU HB3 1 71 LEU MD2 . . 3.390 2.164 2.152 2.179 . 0 0 "[ . 1 . 2]" 1
849 1 71 LEU HB3 1 72 PHE H . . 4.330 4.441 4.431 4.452 0.122 19 0 "[ . 1 . 2]" 1
850 1 71 LEU HB3 1 108 LEU MD1 . . 5.090 5.243 5.170 5.265 0.175 20 0 "[ . 1 . 2]" 1
851 1 71 LEU HB3 1 113 ILE MD . . 4.690 4.712 4.645 4.754 0.064 10 0 "[ . 1 . 2]" 1
852 1 71 LEU MD1 1 72 PHE H . . 4.620 3.088 3.015 3.164 . 0 0 "[ . 1 . 2]" 1
853 1 71 LEU MD1 1 72 PHE HB2 . . 4.770 3.486 3.388 3.553 . 0 0 "[ . 1 . 2]" 1
854 1 71 LEU MD1 1 72 PHE QD . . 3.960 2.292 2.257 2.625 . 0 0 "[ . 1 . 2]" 1
855 1 71 LEU MD1 1 74 GLN HE22 . . 5.500 4.514 4.419 4.585 . 0 0 "[ . 1 . 2]" 1
856 1 71 LEU MD1 1 108 LEU MD1 . . 3.930 2.930 2.858 2.975 . 0 0 "[ . 1 . 2]" 1
857 1 71 LEU MD1 1 108 LEU MD2 . . 3.960 3.954 3.687 4.004 0.044 12 0 "[ . 1 . 2]" 1
858 1 71 LEU MD1 1 111 PHE HZ . . 4.920 4.755 4.694 4.941 0.021 13 0 "[ . 1 . 2]" 1
859 1 71 LEU MD1 1 111 PHE QD . . 4.310 3.012 2.725 3.104 . 0 0 "[ . 1 . 2]" 1
860 1 71 LEU MD1 1 111 PHE QE . . 3.950 3.299 3.185 3.342 . 0 0 "[ . 1 . 2]" 1
861 1 71 LEU MD1 1 113 ILE HG13 . . 5.490 4.576 4.212 4.693 . 0 0 "[ . 1 . 2]" 1
862 1 71 LEU MD1 1 113 ILE MD . . 3.100 2.836 2.672 2.910 . 0 0 "[ . 1 . 2]" 1
863 1 71 LEU MD1 1 113 ILE MG . . 4.550 4.647 4.414 4.689 0.139 9 0 "[ . 1 . 2]" 1
864 1 71 LEU MD1 1 119 MET ME . . 3.040 1.814 1.767 1.837 . 0 0 "[ . 1 . 2]" 1
865 1 71 LEU MD1 1 119 MET QG . . 4.990 4.482 4.335 4.561 . 0 0 "[ . 1 . 2]" 1
866 1 71 LEU MD2 1 72 PHE H . . 4.810 4.612 4.594 4.663 . 0 0 "[ . 1 . 2]" 1
867 1 71 LEU MD2 1 111 PHE HB2 . . 5.500 5.503 5.334 5.737 0.237 13 0 "[ . 1 . 2]" 1
868 1 71 LEU MD2 1 111 PHE HZ . . 4.480 4.227 4.119 4.275 . 0 0 "[ . 1 . 2]" 1
869 1 71 LEU MD2 1 111 PHE QE . . 4.240 3.743 2.112 3.867 . 0 0 "[ . 1 . 2]" 1
870 1 71 LEU MD2 1 113 ILE HB . . 5.500 4.854 4.585 4.946 . 0 0 "[ . 1 . 2]" 1
871 1 71 LEU MD2 1 119 MET ME . . 3.220 3.058 3.009 3.237 0.017 13 0 "[ . 1 . 2]" 1
872 1 71 LEU MD2 1 119 MET QG . . 5.500 5.506 5.413 5.548 0.048 12 0 "[ . 1 . 2]" 1
873 1 72 PHE H 1 72 PHE HB2 . . 3.340 2.273 2.252 2.289 . 0 0 "[ . 1 . 2]" 1
874 1 72 PHE H 1 72 PHE HB3 . . 3.280 3.446 3.423 3.496 0.216 12 0 "[ . 1 . 2]" 1
875 1 72 PHE H 1 73 ASN H . . 3.200 2.161 2.149 2.186 . 0 0 "[ . 1 . 2]" 1
876 1 72 PHE H 1 73 ASN HB3 . . 5.220 4.401 4.376 4.423 . 0 0 "[ . 1 . 2]" 1
877 1 72 PHE H 1 108 LEU MD1 . . 4.840 4.820 4.686 4.855 0.015 12 0 "[ . 1 . 2]" 1
878 1 72 PHE HA 1 72 PHE QD . . 3.450 2.693 2.217 2.762 . 0 0 "[ . 1 . 2]" 1
879 1 72 PHE HA 1 74 GLN H . . 3.920 3.827 3.781 3.849 . 0 0 "[ . 1 . 2]" 1
880 1 72 PHE HA 1 74 GLN QG . . 5.050 3.596 3.430 3.655 . 0 0 "[ . 1 . 2]" 1
881 1 72 PHE HA 1 75 PHE H . . 4.120 3.551 3.492 3.751 . 0 0 "[ . 1 . 2]" 1
882 1 72 PHE HA 1 75 PHE QD . . 3.220 2.859 2.428 2.975 . 0 0 "[ . 1 . 2]" 1
883 1 72 PHE HA 1 93 VAL MG1 . . 5.340 4.550 4.537 4.566 . 0 0 "[ . 1 . 2]" 1
884 1 72 PHE HA 1 95 PHE QE . . 4.860 4.133 4.034 4.226 . 0 0 "[ . 1 . 2]" 1
885 1 72 PHE HB2 1 73 ASN H . . 4.720 3.291 3.241 3.328 . 0 0 "[ . 1 . 2]" 1
886 1 72 PHE HB2 1 78 PHE QD . . 4.830 3.626 3.435 3.740 . 0 0 "[ . 1 . 2]" 1
887 1 72 PHE HB2 1 78 PHE QE . . 4.960 3.215 2.855 3.351 . 0 0 "[ . 1 . 2]" 1
888 1 72 PHE HB2 1 93 VAL MG1 . . 3.840 2.877 2.839 2.948 . 0 0 "[ . 1 . 2]" 1
889 1 72 PHE HB2 1 93 VAL MG2 . . 4.960 3.794 3.692 3.830 . 0 0 "[ . 1 . 2]" 1
890 1 72 PHE HB3 1 73 ASN H . . 4.280 3.567 3.527 3.696 . 0 0 "[ . 1 . 2]" 1
891 1 72 PHE HB3 1 73 ASN HB2 . . 5.170 4.939 4.897 5.080 . 0 0 "[ . 1 . 2]" 1
892 1 72 PHE HB3 1 74 GLN H . . 5.070 5.142 5.119 5.161 0.091 12 0 "[ . 1 . 2]" 1
893 1 72 PHE HB3 1 78 PHE QD . . 4.360 2.207 2.153 2.278 . 0 0 "[ . 1 . 2]" 1
894 1 72 PHE HB3 1 78 PHE QE . . 4.400 3.019 2.912 3.189 . 0 0 "[ . 1 . 2]" 1
895 1 72 PHE HB3 1 93 VAL MG1 . . 3.670 2.876 2.658 2.916 . 0 0 "[ . 1 . 2]" 1
896 1 72 PHE HB3 1 93 VAL MG2 . . 4.510 4.525 4.232 4.569 0.059 11 0 "[ . 1 . 2]" 1
897 1 72 PHE HZ 1 95 PHE QE . . 4.860 5.050 4.422 5.104 0.244 3 0 "[ . 1 . 2]" 1
898 1 72 PHE HZ 1 104 ALA HA . . 5.800 5.782 5.691 5.982 0.182 12 0 "[ . 1 . 2]" 1
899 1 72 PHE HZ 1 108 LEU HG . . 4.860 4.852 4.817 4.944 0.084 13 0 "[ . 1 . 2]" 1
900 1 72 PHE HZ 1 108 LEU MD1 . . 4.130 2.627 2.598 2.650 . 0 0 "[ . 1 . 2]" 1
901 1 72 PHE QD 1 73 ASN H . . 4.700 4.828 4.810 4.845 0.145 20 0 "[ . 1 . 2]" 1
902 1 72 PHE QD 1 73 ASN HA . . 5.500 5.464 5.415 5.595 0.095 12 0 "[ . 1 . 2]" 1
903 1 72 PHE QD 1 78 PHE QD . . 5.030 3.475 3.352 4.175 . 0 0 "[ . 1 . 2]" 1
904 1 72 PHE QD 1 93 VAL HB . . 3.810 3.989 3.950 4.013 0.203 11 0 "[ . 1 . 2]" 1
905 1 72 PHE QD 1 93 VAL MG1 . . 4.240 2.640 2.622 2.688 . 0 0 "[ . 1 . 2]" 1
906 1 72 PHE QD 1 93 VAL MG2 . . 3.930 2.498 2.166 2.553 . 0 0 "[ . 1 . 2]" 1
907 1 72 PHE QD 1 108 LEU MD1 . . 3.940 3.292 3.057 3.337 . 0 0 "[ . 1 . 2]" 1
908 1 72 PHE QD 1 119 MET ME . . 4.730 3.114 3.014 3.284 . 0 0 "[ . 1 . 2]" 1
909 1 72 PHE QE 1 93 VAL MG1 . . 4.140 3.263 3.228 3.472 . 0 0 "[ . 1 . 2]" 1
910 1 72 PHE QE 1 93 VAL MG2 . . 4.550 2.765 2.479 2.869 . 0 0 "[ . 1 . 2]" 1
911 1 72 PHE QE 1 104 ALA MB . . 2.960 1.999 1.970 2.044 . 0 0 "[ . 1 . 2]" 1
912 1 72 PHE QE 1 108 LEU HG . . 4.410 4.438 3.719 4.515 0.105 13 0 "[ . 1 . 2]" 1
913 1 72 PHE QE 1 108 LEU QB . . 4.160 3.878 3.383 3.943 . 0 0 "[ . 1 . 2]" 1
914 1 72 PHE QE 1 108 LEU MD1 . . 3.550 2.697 2.271 2.747 . 0 0 "[ . 1 . 2]" 1
915 1 72 PHE QE 1 119 MET ME . . 4.000 2.532 2.237 2.748 . 0 0 "[ . 1 . 2]" 1
916 1 72 PHE QE 1 121 ILE MG . . 4.360 3.904 3.653 4.003 . 0 0 "[ . 1 . 2]" 1
917 1 73 ASN H 1 73 ASN HB2 . . 3.350 2.548 2.515 2.581 . 0 0 "[ . 1 . 2]" 1
918 1 73 ASN H 1 73 ASN HB3 . . 3.200 2.465 2.449 2.481 . 0 0 "[ . 1 . 2]" 1
919 1 73 ASN H 1 74 GLN H . . 3.150 2.558 2.513 2.595 . 0 0 "[ . 1 . 2]" 1
920 1 73 ASN H 1 74 GLN QG . . 4.870 3.851 3.746 3.887 . 0 0 "[ . 1 . 2]" 1
921 1 73 ASN H 1 78 PHE QD . . 4.910 4.449 4.106 4.539 . 0 0 "[ . 1 . 2]" 1
922 1 73 ASN HA 1 75 PHE H . . 3.990 3.579 3.447 3.650 . 0 0 "[ . 1 . 2]" 1
923 1 73 ASN HA 1 78 PHE H . . 5.410 5.372 5.253 5.447 0.037 13 0 "[ . 1 . 2]" 1
924 1 73 ASN HA 1 78 PHE HB2 . . 4.200 2.478 2.345 2.555 . 0 0 "[ . 1 . 2]" 1
925 1 73 ASN HA 1 78 PHE HB3 . . 4.270 2.792 2.631 3.020 . 0 0 "[ . 1 . 2]" 1
926 1 73 ASN HA 1 78 PHE QD . . 3.500 3.033 2.834 3.255 . 0 0 "[ . 1 . 2]" 1
927 1 73 ASN HB2 1 74 GLN H . . 4.340 4.165 4.150 4.185 . 0 0 "[ . 1 . 2]" 1
928 1 73 ASN HB2 1 78 PHE QD . . 4.330 3.399 3.150 3.945 . 0 0 "[ . 1 . 2]" 1
929 1 73 ASN HB2 1 78 PHE QE . . 5.490 3.431 3.195 4.000 . 0 0 "[ . 1 . 2]" 1
930 1 73 ASN HB3 1 74 GLN H . . 4.020 3.094 3.059 3.141 . 0 0 "[ . 1 . 2]" 1
931 1 73 ASN HB3 1 78 PHE QD . . 5.200 4.784 4.593 5.135 . 0 0 "[ . 1 . 2]" 1
932 1 74 GLN H 1 74 GLN HB2 . . 3.770 3.610 3.594 3.627 . 0 0 "[ . 1 . 2]" 1
933 1 74 GLN H 1 74 GLN HB3 . . 3.770 2.590 2.574 2.613 . 0 0 "[ . 1 . 2]" 1
934 1 74 GLN H 1 74 GLN QB . . 2.950 2.535 2.520 2.556 . 0 0 "[ . 1 . 2]" 1
935 1 74 GLN H 1 74 GLN QG . . 3.200 1.972 1.928 2.011 . 0 0 "[ . 1 . 2]" 1
936 1 74 GLN H 1 75 PHE H . . 2.900 2.567 2.539 2.671 . 0 0 "[ . 1 . 2]" 1
937 1 74 GLN H 1 75 PHE HB2 . . 5.500 4.418 4.377 4.561 . 0 0 "[ . 1 . 2]" 1
938 1 74 GLN H 1 75 PHE QD . . 4.210 3.511 3.291 3.590 . 0 0 "[ . 1 . 2]" 1
939 1 74 GLN H 1 78 PHE HB2 . . 5.470 5.211 5.117 5.359 . 0 0 "[ . 1 . 2]" 1
940 1 74 GLN HE21 1 75 PHE QE . . 4.180 3.532 3.467 3.585 . 0 0 "[ . 1 . 2]" 1
941 1 74 GLN HE21 1 108 LEU MD1 . . 5.430 5.244 4.911 5.362 . 0 0 "[ . 1 . 2]" 1
942 1 74 GLN HE21 1 108 LEU MD2 . . 4.540 4.399 4.123 4.539 . 0 0 "[ . 1 . 2]" 1
943 1 74 GLN HE21 1 111 PHE QE . . 4.670 2.909 2.704 3.386 . 0 0 "[ . 1 . 2]" 1
944 1 74 GLN HE22 1 75 PHE QE . . 4.280 2.222 2.129 2.267 . 0 0 "[ . 1 . 2]" 1
945 1 74 GLN HE22 1 111 PHE QE . . 4.370 2.603 2.442 3.988 . 0 0 "[ . 1 . 2]" 1
946 1 74 GLN QB 1 75 PHE H . . 4.230 3.873 3.855 3.916 . 0 0 "[ . 1 . 2]" 1
947 1 74 GLN HE22 1 74 GLN QG . . 3.510 2.291 2.279 2.301 . 0 0 "[ . 1 . 2]" 1
948 1 74 GLN QG 1 75 PHE H . . 4.200 2.890 2.854 3.028 . 0 0 "[ . 1 . 2]" 1
949 1 74 GLN QG 1 75 PHE HB2 . . 4.880 4.014 3.971 4.179 . 0 0 "[ . 1 . 2]" 1
950 1 74 GLN QG 1 75 PHE QE . . 5.340 2.898 2.708 2.976 . 0 0 "[ . 1 . 2]" 1
951 1 74 GLN QG 1 111 PHE QE . . 5.250 4.427 4.294 5.315 0.065 13 0 "[ . 1 . 2]" 1
952 1 75 PHE H 1 75 PHE HB2 . . 3.250 2.212 2.185 2.245 . 0 0 "[ . 1 . 2]" 1
953 1 75 PHE H 1 75 PHE HB3 . . 3.650 3.489 3.470 3.518 . 0 0 "[ . 1 . 2]" 1
954 1 75 PHE H 1 75 PHE QD . . 3.280 2.602 2.464 2.644 . 0 0 "[ . 1 . 2]" 1
955 1 75 PHE H 1 75 PHE QE . . 4.910 4.922 4.771 4.959 0.049 8 0 "[ . 1 . 2]" 1
956 1 75 PHE H 1 78 PHE HB3 . . 5.800 5.271 5.093 5.426 . 0 0 "[ . 1 . 2]" 1
957 1 75 PHE H 1 78 PHE QD . . 5.390 5.464 5.025 5.519 0.129 13 0 "[ . 1 . 2]" 1
958 1 75 PHE HA 1 75 PHE QD . . 3.730 2.998 2.968 3.040 . 0 0 "[ . 1 . 2]" 1
959 1 75 PHE HA 1 75 PHE QE . . 5.040 4.394 4.366 4.427 . 0 0 "[ . 1 . 2]" 1
960 1 75 PHE HA 1 76 PRO HG2 . . 5.230 4.584 4.569 4.604 . 0 0 "[ . 1 . 2]" 1
961 1 75 PHE HA 1 76 PRO HG3 . . 4.610 4.283 3.956 4.604 . 0 0 "[ . 1 . 2]" 1
962 1 75 PHE HB2 1 95 PHE QD . . 4.670 4.629 4.588 4.777 0.107 12 0 "[ . 1 . 2]" 1
963 1 75 PHE HB2 1 95 PHE QE . . 4.290 2.879 2.822 3.263 . 0 0 "[ . 1 . 2]" 1
964 1 75 PHE HB2 1 104 ALA MB . . 4.670 4.733 4.688 4.764 0.094 19 0 "[ . 1 . 2]" 1
965 1 75 PHE HB3 1 76 PRO QB . . 5.340 4.568 4.214 4.843 . 0 0 "[ . 1 . 2]" 1
966 1 75 PHE HB3 1 77 GLY HA3 . . 5.500 4.754 4.656 5.055 . 0 0 "[ . 1 . 2]" 1
967 1 75 PHE HB3 1 95 PHE QD . . 4.500 4.609 4.188 4.659 0.159 15 0 "[ . 1 . 2]" 1
968 1 75 PHE HB3 1 95 PHE QE . . 3.740 2.674 2.198 2.750 . 0 0 "[ . 1 . 2]" 1
969 1 75 PHE HB3 1 104 ALA MB . . 4.340 4.344 4.311 4.387 0.047 12 0 "[ . 1 . 2]" 1
970 1 75 PHE QD 1 76 PRO HD2 . . 4.260 2.382 2.227 2.479 . 0 0 "[ . 1 . 2]" 1
971 1 75 PHE QD 1 104 ALA HA . . 4.600 3.997 3.696 4.034 . 0 0 "[ . 1 . 2]" 1
972 1 75 PHE QD 1 104 ALA MB . . 3.690 3.778 3.758 3.795 0.105 13 0 "[ . 1 . 2]" 1
973 1 75 PHE QD 1 107 ALA MB . . 3.360 3.328 3.185 3.378 0.018 12 0 "[ . 1 . 2]" 1
974 1 75 PHE QD 1 108 LEU HG . . 5.140 4.069 3.977 4.411 . 0 0 "[ . 1 . 2]" 1
975 1 75 PHE QD 1 108 LEU MD1 . . 3.740 3.576 3.497 3.769 0.029 12 0 "[ . 1 . 2]" 1
976 1 75 PHE QD 1 108 LEU MD2 . . 4.480 4.018 3.905 4.479 . 0 0 "[ . 1 . 2]" 1
977 1 75 PHE QE 1 76 PRO HD2 . . 4.480 4.409 4.234 4.599 0.119 12 0 "[ . 1 . 2]" 1
978 1 75 PHE QE 1 107 ALA H . . 5.210 5.167 4.906 5.220 0.010 5 0 "[ . 1 . 2]" 1
979 1 75 PHE QE 1 107 ALA MB . . 3.130 2.035 1.892 2.069 . 0 0 "[ . 1 . 2]" 1
980 1 75 PHE QE 1 108 LEU HG . . 5.140 2.974 2.864 3.042 . 0 0 "[ . 1 . 2]" 1
981 1 75 PHE QE 1 108 LEU MD1 . . 3.600 3.074 2.639 3.185 . 0 0 "[ . 1 . 2]" 1
982 1 75 PHE QE 1 108 LEU MD2 . . 4.630 2.358 2.233 2.582 . 0 0 "[ . 1 . 2]" 1
983 1 76 PRO HA 1 77 GLY H . . 3.060 3.225 3.173 3.279 0.219 6 0 "[ . 1 . 2]" 1
984 1 76 PRO HB2 1 77 GLY H . . 4.620 4.010 3.711 4.283 . 0 0 "[ . 1 . 2]" 1
985 1 76 PRO HB3 1 77 GLY H . . 4.620 4.636 4.608 4.653 0.033 11 0 "[ . 1 . 2]" 1
986 1 76 PRO HD2 1 107 ALA MB . . 5.250 4.953 4.880 5.048 . 0 0 "[ . 1 . 2]" 1
987 1 76 PRO HG2 1 107 ALA MB . . 5.500 5.555 5.526 5.594 0.094 7 0 "[ . 1 . 2]" 1
988 1 76 PRO QB 1 77 GLY H . . 4.030 3.772 3.565 3.957 . 0 0 "[ . 1 . 2]" 1
989 1 77 GLY H 1 78 PHE H . . 3.900 4.038 4.005 4.103 0.203 12 0 "[ . 1 . 2]" 1
990 1 77 GLY H 1 95 PHE QD . . 5.500 4.655 4.182 4.747 . 0 0 "[ . 1 . 2]" 1
991 1 77 GLY H 1 96 ASP H . . 4.960 4.799 4.750 4.961 0.001 12 0 "[ . 1 . 2]" 1
992 1 77 GLY H 1 96 ASP QB . . 5.340 4.496 4.442 4.752 . 0 0 "[ . 1 . 2]" 1
993 1 77 GLY HA2 1 96 ASP QB . . 4.380 2.261 2.177 2.639 . 0 0 "[ . 1 . 2]" 1
994 1 77 GLY HA2 1 100 GLN HE21 . . 5.190 4.421 3.877 4.612 . 0 0 "[ . 1 . 2]" 1
995 1 77 GLY HA2 1 100 GLN HE22 . . 4.650 4.418 4.326 4.516 . 0 0 "[ . 1 . 2]" 1
996 1 77 GLY HA3 1 95 PHE QD . . 4.240 2.919 2.820 3.457 . 0 0 "[ . 1 . 2]" 1
997 1 77 GLY HA3 1 95 PHE QE . . 5.170 2.822 2.623 4.635 . 0 0 "[ . 1 . 2]" 1
998 1 77 GLY HA3 1 96 ASP H . . 4.030 2.591 2.530 2.728 . 0 0 "[ . 1 . 2]" 1
999 1 77 GLY HA3 1 96 ASP HB2 . . 4.680 2.071 2.006 2.338 . 0 0 "[ . 1 . 2]" 1
1000 1 77 GLY HA3 1 96 ASP HB3 . . 4.680 3.357 3.284 3.464 . 0 0 "[ . 1 . 2]" 1
1001 1 77 GLY HA3 1 96 ASP QB . . 4.030 2.052 1.991 2.293 . 0 0 "[ . 1 . 2]" 1
1002 1 77 GLY HA3 1 97 ASN H . . 5.330 5.090 5.036 5.153 . 0 0 "[ . 1 . 2]" 1
1003 1 77 GLY HA3 1 100 GLN HE21 . . 4.430 3.759 2.661 3.971 . 0 0 "[ . 1 . 2]" 1
1004 1 77 GLY HA3 1 100 GLN HE22 . . 4.430 3.118 2.622 3.244 . 0 0 "[ . 1 . 2]" 1
1005 1 77 GLY HA3 1 100 GLN HG2 . . 5.500 5.758 5.539 5.805 0.305 9 0 "[ . 1 . 2]" 1
1006 1 78 PHE H 1 78 PHE HB2 . . 3.500 3.406 3.375 3.436 . 0 0 "[ . 1 . 2]" 1
1007 1 78 PHE H 1 78 PHE HB3 . . 2.900 2.869 2.843 2.886 . 0 0 "[ . 1 . 2]" 1
1008 1 78 PHE H 1 78 PHE QD . . 4.210 4.415 4.313 4.434 0.224 11 0 "[ . 1 . 2]" 1
1009 1 78 PHE H 1 79 LYS H . . 4.260 4.244 4.218 4.266 0.006 8 0 "[ . 1 . 2]" 1
1010 1 78 PHE H 1 95 PHE HA . . 4.720 4.533 4.282 4.622 . 0 0 "[ . 1 . 2]" 1
1011 1 78 PHE H 1 96 ASP H . . 4.860 3.437 3.331 3.546 . 0 0 "[ . 1 . 2]" 1
1012 1 78 PHE HA 1 78 PHE QD . . 3.320 2.390 2.266 2.909 . 0 0 "[ . 1 . 2]" 1
1013 1 78 PHE HA 1 79 LYS H . . 2.870 2.228 2.207 2.248 . 0 0 "[ . 1 . 2]" 1
1014 1 78 PHE HA 1 80 GLU H . . 4.670 4.411 4.294 4.496 . 0 0 "[ . 1 . 2]" 1
1015 1 78 PHE HB2 1 79 LYS H . . 4.490 4.200 4.146 4.265 . 0 0 "[ . 1 . 2]" 1
1016 1 78 PHE HB2 1 93 VAL MG1 . . 5.370 5.219 5.100 5.303 . 0 0 "[ . 1 . 2]" 1
1017 1 78 PHE HB3 1 79 LYS H . . 4.580 4.195 4.161 4.244 . 0 0 "[ . 1 . 2]" 1
1018 1 78 PHE HB3 1 95 PHE HA . . 5.420 5.303 5.239 5.367 . 0 0 "[ . 1 . 2]" 1
1019 1 78 PHE HZ 1 80 GLU HA . . 3.970 3.472 3.087 3.744 . 0 0 "[ . 1 . 2]" 1
1020 1 78 PHE HZ 1 81 VAL H . . 4.240 4.243 4.097 4.318 0.078 6 0 "[ . 1 . 2]" 1
1021 1 78 PHE HZ 1 81 VAL HB . . 4.740 3.824 3.556 3.913 . 0 0 "[ . 1 . 2]" 1
1022 1 78 PHE HZ 1 93 VAL MG1 . . 4.300 4.304 4.259 4.375 0.075 12 0 "[ . 1 . 2]" 1
1023 1 78 PHE HZ 1 93 VAL MG2 . . 5.500 5.286 5.231 5.354 . 0 0 "[ . 1 . 2]" 1
1024 1 78 PHE QD 1 79 LYS H . . 4.000 2.979 2.844 3.533 . 0 0 "[ . 1 . 2]" 1
1025 1 78 PHE QD 1 93 VAL MG1 . . 3.310 3.106 3.019 3.328 0.018 12 0 "[ . 1 . 2]" 1
1026 1 78 PHE QD 1 93 VAL MG2 . . 5.460 5.159 5.100 5.212 . 0 0 "[ . 1 . 2]" 1
1027 1 78 PHE QD 1 95 PHE HA . . 4.880 3.418 3.276 4.303 . 0 0 "[ . 1 . 2]" 1
1028 1 78 PHE QD 1 95 PHE QE . . 5.360 5.153 4.191 5.261 . 0 0 "[ . 1 . 2]" 1
1029 1 78 PHE QE 1 80 GLU H . . 4.900 3.968 3.758 4.540 . 0 0 "[ . 1 . 2]" 1
1030 1 78 PHE QE 1 81 VAL H . . 4.690 4.613 4.460 4.752 0.062 12 0 "[ . 1 . 2]" 1
1031 1 78 PHE QE 1 81 VAL HB . . 4.370 4.421 4.384 4.443 0.073 18 0 "[ . 1 . 2]" 1
1032 1 78 PHE QE 1 81 VAL MG1 . . 4.440 4.432 4.370 4.494 0.054 10 0 "[ . 1 . 2]" 1
1033 1 78 PHE QE 1 81 VAL MG2 . . 4.440 2.001 1.970 2.085 . 0 0 "[ . 1 . 2]" 1
1034 1 78 PHE QE 1 93 VAL MG2 . . 4.090 3.894 3.835 3.972 . 0 0 "[ . 1 . 2]" 1
1035 1 78 PHE QE 1 94 GLU H . . 5.070 4.152 4.009 4.757 . 0 0 "[ . 1 . 2]" 1
1036 1 79 LYS H 1 79 LYS HB2 . . 3.340 2.947 2.769 3.061 . 0 0 "[ . 1 . 2]" 1
1037 1 79 LYS H 1 79 LYS HB3 . . 3.390 2.716 2.578 2.838 . 0 0 "[ . 1 . 2]" 1
1038 1 79 LYS H 1 79 LYS HG2 . . 4.470 4.549 4.409 4.648 0.178 18 0 "[ . 1 . 2]" 1
1039 1 79 LYS H 1 79 LYS HG3 . . 4.640 4.784 4.685 4.866 0.226 7 0 "[ . 1 . 2]" 1
1040 1 79 LYS H 1 80 GLU H . . 2.950 2.297 2.211 2.365 . 0 0 "[ . 1 . 2]" 1
1041 1 79 LYS H 1 93 VAL MG1 . . 5.190 4.260 4.201 4.344 . 0 0 "[ . 1 . 2]" 1
1042 1 79 LYS H 1 94 GLU H . . 5.140 4.612 4.463 4.665 . 0 0 "[ . 1 . 2]" 1
1043 1 79 LYS H 1 94 GLU QB . . 4.160 3.580 3.458 3.684 . 0 0 "[ . 1 . 2]" 1
1044 1 79 LYS H 1 95 PHE HA . . 3.250 3.042 2.853 3.094 . 0 0 "[ . 1 . 2]" 1
1045 1 79 LYS H 1 95 PHE QD . . 5.110 5.115 4.588 5.182 0.072 2 0 "[ . 1 . 2]" 1
1046 1 79 LYS H 1 96 ASP H . . 4.370 4.477 4.294 4.520 0.150 17 0 "[ . 1 . 2]" 1
1047 1 79 LYS HA 1 79 LYS HG2 . . 3.880 2.650 2.209 3.124 . 0 0 "[ . 1 . 2]" 1
1048 1 79 LYS HA 1 79 LYS HG3 . . 3.770 3.071 2.426 3.669 . 0 0 "[ . 1 . 2]" 1
1049 1 79 LYS HA 1 79 LYS QD . . 4.850 3.535 2.568 4.149 . 0 0 "[ . 1 . 2]" 1
1050 1 79 LYS HB2 1 80 GLU H . . 3.600 3.684 3.492 3.782 0.182 12 0 "[ . 1 . 2]" 1
1051 1 79 LYS HB2 1 94 GLU QB . . 4.090 3.728 3.503 3.890 . 0 0 "[ . 1 . 2]" 1
1052 1 79 LYS HB2 1 95 PHE H . . 5.500 5.072 4.896 5.256 . 0 0 "[ . 1 . 2]" 1
1053 1 79 LYS HB2 1 95 PHE HA . . 5.240 4.621 4.069 4.865 . 0 0 "[ . 1 . 2]" 1
1054 1 79 LYS HB2 1 96 ASP H . . 5.500 4.597 3.915 4.797 . 0 0 "[ . 1 . 2]" 1
1055 1 79 LYS HB2 1 97 ASN HB3 . . 5.490 5.392 5.090 5.824 0.334 12 0 "[ . 1 . 2]" 1
1056 1 79 LYS HB3 1 80 GLU H . . 3.130 2.294 2.189 2.425 . 0 0 "[ . 1 . 2]" 1
1057 1 79 LYS HB3 1 80 GLU HB2 . . 5.180 3.756 3.449 5.253 0.073 8 0 "[ . 1 . 2]" 1
1058 1 79 LYS HB3 1 80 GLU QG . . 5.130 4.563 2.692 5.404 0.274 18 0 "[ . 1 . 2]" 1
1059 1 79 LYS HB3 1 94 GLU QB . . 5.500 2.381 2.183 2.592 . 0 0 "[ . 1 . 2]" 1
1060 1 79 LYS HG2 1 80 GLU H . . 4.640 4.128 3.333 4.784 0.144 8 0 "[ . 1 . 2]" 1
1061 1 79 LYS HG3 1 80 GLU H . . 4.890 4.651 4.469 4.906 0.016 4 0 "[ . 1 . 2]" 1
1062 1 79 LYS HG3 1 97 ASN HB3 . . 5.900 5.872 5.451 6.093 0.193 13 0 "[ . 1 . 2]" 1
1063 1 79 LYS QD 1 80 GLU HB2 . . 4.130 3.164 1.988 4.231 0.101 6 0 "[ . 1 . 2]" 1
1064 1 80 GLU H 1 80 GLU HG2 . . 5.030 4.374 2.604 5.116 0.086 20 0 "[ . 1 . 2]" 1
1065 1 80 GLU H 1 80 GLU HG3 . . 5.030 4.407 3.435 4.917 . 0 0 "[ . 1 . 2]" 1
1066 1 80 GLU H 1 80 GLU QG . . 4.160 3.828 2.529 4.331 0.171 20 0 "[ . 1 . 2]" 1
1067 1 80 GLU H 1 81 VAL H . . 4.460 4.402 4.364 4.428 . 0 0 "[ . 1 . 2]" 1
1068 1 80 GLU H 1 93 VAL MG1 . . 5.500 3.949 3.856 4.092 . 0 0 "[ . 1 . 2]" 1
1069 1 80 GLU H 1 94 GLU H . . 4.190 3.255 3.201 3.327 . 0 0 "[ . 1 . 2]" 1
1070 1 80 GLU H 1 94 GLU HA . . 5.500 4.643 4.575 4.743 . 0 0 "[ . 1 . 2]" 1
1071 1 80 GLU H 1 94 GLU QB . . 2.990 2.179 2.050 2.304 . 0 0 "[ . 1 . 2]" 1
1072 1 80 GLU H 1 95 PHE HA . . 5.350 4.625 4.437 4.702 . 0 0 "[ . 1 . 2]" 1
1073 1 80 GLU HA 1 81 VAL H . . 2.630 2.474 2.399 2.541 . 0 0 "[ . 1 . 2]" 1
1074 1 80 GLU HA 1 81 VAL HB . . 5.500 4.372 4.286 4.427 . 0 0 "[ . 1 . 2]" 1
1075 1 80 GLU HB3 1 81 VAL H . . 3.040 2.749 2.079 3.429 0.389 8 0 "[ . 1 . 2]" 1
1076 1 80 GLU HG2 1 81 VAL H . . 4.380 3.195 1.836 4.558 0.178 3 0 "[ . 1 . 2]" 1
1077 1 80 GLU HG3 1 81 VAL H . . 4.380 3.302 1.870 4.618 0.238 16 0 "[ . 1 . 2]" 1
1078 1 81 VAL H 1 81 VAL HB . . 3.030 2.649 2.569 2.709 . 0 0 "[ . 1 . 2]" 1
1079 1 81 VAL H 1 81 VAL MG1 . . 3.920 3.842 3.810 3.869 . 0 0 "[ . 1 . 2]" 1
1080 1 81 VAL H 1 81 VAL MG2 . . 3.920 3.035 2.970 3.089 . 0 0 "[ . 1 . 2]" 1
1081 1 81 VAL H 1 82 ARG H . . 4.680 4.432 4.398 4.467 . 0 0 "[ . 1 . 2]" 1
1082 1 81 VAL H 1 93 VAL MG1 . . 5.390 4.748 4.686 4.848 . 0 0 "[ . 1 . 2]" 1
1083 1 81 VAL H 1 94 GLU H . . 5.120 4.606 4.561 4.642 . 0 0 "[ . 1 . 2]" 1
1084 1 81 VAL HA 1 81 VAL MG1 . . 3.350 2.477 2.460 2.489 . 0 0 "[ . 1 . 2]" 1
1085 1 81 VAL HA 1 81 VAL MG2 . . 3.350 2.337 2.262 2.379 . 0 0 "[ . 1 . 2]" 1
1086 1 81 VAL HA 1 82 ARG H . . 2.670 2.310 2.286 2.328 . 0 0 "[ . 1 . 2]" 1
1087 1 81 VAL HA 1 93 VAL MG1 . . 3.670 2.880 2.808 2.952 . 0 0 "[ . 1 . 2]" 1
1088 1 81 VAL HA 1 93 VAL MG2 . . 4.120 2.818 2.759 2.865 . 0 0 "[ . 1 . 2]" 1
1089 1 81 VAL HB 1 82 ARG H . . 4.140 3.948 3.901 4.017 . 0 0 "[ . 1 . 2]" 1
1090 1 81 VAL HB 1 93 VAL MG1 . . 4.830 4.577 4.558 4.607 . 0 0 "[ . 1 . 2]" 1
1091 1 81 VAL HB 1 93 VAL MG2 . . 4.000 4.193 4.142 4.216 0.216 9 0 "[ . 1 . 2]" 1
1092 1 81 VAL HB 1 94 GLU H . . 5.500 5.599 5.553 5.637 0.137 4 0 "[ . 1 . 2]" 1
1093 1 81 VAL MG1 1 82 ARG H . . 4.030 2.143 2.060 2.268 . 0 0 "[ . 1 . 2]" 1
1094 1 81 VAL MG1 1 93 VAL H . . 5.500 5.088 5.016 5.130 . 0 0 "[ . 1 . 2]" 1
1095 1 81 VAL MG1 1 93 VAL HA . . 3.680 3.333 3.278 3.369 . 0 0 "[ . 1 . 2]" 1
1096 1 81 VAL MG1 1 93 VAL MG1 . . 4.160 3.571 3.545 3.598 . 0 0 "[ . 1 . 2]" 1
1097 1 81 VAL MG1 1 93 VAL MG2 . . 3.700 2.056 2.024 2.086 . 0 0 "[ . 1 . 2]" 1
1098 1 81 VAL MG1 1 94 GLU H . . 4.750 4.761 4.706 4.792 0.042 4 0 "[ . 1 . 2]" 1
1099 1 81 VAL MG2 1 82 ARG H . . 4.030 3.754 3.657 3.859 . 0 0 "[ . 1 . 2]" 1
1100 1 81 VAL MG2 1 93 VAL H . . 5.500 5.443 5.376 5.516 0.016 4 0 "[ . 1 . 2]" 1
1101 1 81 VAL MG2 1 93 VAL HA . . 3.680 3.121 3.056 3.197 . 0 0 "[ . 1 . 2]" 1
1102 1 81 VAL MG2 1 93 VAL MG1 . . 4.160 2.054 2.022 2.102 . 0 0 "[ . 1 . 2]" 1
1103 1 81 VAL MG2 1 93 VAL MG2 . . 3.700 2.027 1.974 2.069 . 0 0 "[ . 1 . 2]" 1
1104 1 81 VAL MG2 1 94 GLU H . . 4.750 3.632 3.511 3.721 . 0 0 "[ . 1 . 2]" 1
1105 1 82 ARG H 1 82 ARG HB2 . . 4.080 3.206 2.875 3.352 . 0 0 "[ . 1 . 2]" 1
1106 1 82 ARG H 1 82 ARG HB3 . . 3.320 2.760 2.551 3.003 . 0 0 "[ . 1 . 2]" 1
1107 1 82 ARG H 1 82 ARG QD . . 5.220 4.694 4.456 4.994 . 0 0 "[ . 1 . 2]" 1
1108 1 82 ARG H 1 82 ARG QG . . 4.080 4.086 3.971 4.247 0.167 6 0 "[ . 1 . 2]" 1
1109 1 82 ARG H 1 83 LEU H . . 4.550 4.242 4.108 4.363 . 0 0 "[ . 1 . 2]" 1
1110 1 82 ARG H 1 83 LEU MD2 . . 4.740 3.906 3.818 3.991 . 0 0 "[ . 1 . 2]" 1
1111 1 82 ARG H 1 91 ALA MB . . 5.330 4.339 4.252 4.404 . 0 0 "[ . 1 . 2]" 1
1112 1 82 ARG H 1 92 PHE H . . 4.170 3.360 3.307 3.410 . 0 0 "[ . 1 . 2]" 1
1113 1 82 ARG H 1 92 PHE HA . . 5.160 4.817 4.784 4.836 . 0 0 "[ . 1 . 2]" 1
1114 1 82 ARG H 1 92 PHE HB2 . . 4.520 3.492 3.368 3.584 . 0 0 "[ . 1 . 2]" 1
1115 1 82 ARG H 1 92 PHE HB3 . . 4.380 4.415 4.370 4.488 0.108 4 0 "[ . 1 . 2]" 1
1116 1 82 ARG H 1 93 VAL H . . 4.780 4.628 4.574 4.667 . 0 0 "[ . 1 . 2]" 1
1117 1 82 ARG H 1 93 VAL MG1 . . 4.490 4.468 4.399 4.540 0.050 6 0 "[ . 1 . 2]" 1
1118 1 82 ARG H 1 93 VAL MG2 . . 4.060 3.232 3.154 3.362 . 0 0 "[ . 1 . 2]" 1
1119 1 82 ARG H 1 94 GLU H . . 4.590 4.666 4.641 4.716 0.126 12 0 "[ . 1 . 2]" 1
1120 1 82 ARG HA 1 82 ARG HD2 . . 4.430 3.763 2.173 4.265 . 0 0 "[ . 1 . 2]" 1
1121 1 82 ARG HA 1 82 ARG HD3 . . 4.430 3.525 2.240 4.575 0.145 9 0 "[ . 1 . 2]" 1
1122 1 82 ARG HA 1 82 ARG HG2 . . 3.990 3.277 2.320 3.941 . 0 0 "[ . 1 . 2]" 1
1123 1 82 ARG HA 1 82 ARG HG3 . . 3.990 2.989 2.331 3.609 . 0 0 "[ . 1 . 2]" 1
1124 1 82 ARG HA 1 82 ARG QG . . 3.470 2.676 2.233 3.146 . 0 0 "[ . 1 . 2]" 1
1125 1 82 ARG HA 1 83 LEU H . . 2.600 2.175 2.154 2.218 . 0 0 "[ . 1 . 2]" 1
1126 1 82 ARG HA 1 83 LEU HB2 . . 4.840 4.613 4.545 4.673 . 0 0 "[ . 1 . 2]" 1
1127 1 82 ARG HA 1 83 LEU HG . . 4.460 3.849 3.686 4.019 . 0 0 "[ . 1 . 2]" 1
1128 1 82 ARG HA 1 92 PHE HB2 . . 5.440 4.531 4.390 4.715 . 0 0 "[ . 1 . 2]" 1
1129 1 82 ARG HB2 1 82 ARG HD2 . . 3.760 3.039 2.346 3.794 0.034 15 0 "[ . 1 . 2]" 1
1130 1 82 ARG HB2 1 82 ARG HD3 . . 3.760 3.176 2.478 3.854 0.094 6 0 "[ . 1 . 2]" 1
1131 1 82 ARG HB2 1 83 LEU H . . 4.630 4.311 4.154 4.572 . 0 0 "[ . 1 . 2]" 1
1132 1 82 ARG HB2 1 92 PHE HB2 . . 4.630 3.626 3.478 3.724 . 0 0 "[ . 1 . 2]" 1
1133 1 82 ARG HB2 1 92 PHE HB3 . . 4.460 4.408 4.282 4.521 0.061 2 0 "[ . 1 . 2]" 1
1134 1 82 ARG HB3 1 82 ARG QD . . 3.660 2.858 2.322 3.536 . 0 0 "[ . 1 . 2]" 1
1135 1 82 ARG HB3 1 92 PHE H . . 4.740 3.911 3.765 4.071 . 0 0 "[ . 1 . 2]" 1
1136 1 82 ARG HB3 1 92 PHE HB2 . . 3.970 1.991 1.957 2.073 . 0 0 "[ . 1 . 2]" 1
1137 1 82 ARG HB3 1 92 PHE QD . . 5.160 3.928 3.529 4.093 . 0 0 "[ . 1 . 2]" 1
1138 1 82 ARG HB3 1 93 VAL H . . 5.500 4.823 4.407 5.285 . 0 0 "[ . 1 . 2]" 1
1139 1 82 ARG HD2 1 83 LEU H . . 5.100 4.303 2.273 5.210 0.110 2 0 "[ . 1 . 2]" 1
1140 1 82 ARG HD2 1 92 PHE HB2 . . 4.650 4.550 3.668 4.840 0.190 4 0 "[ . 1 . 2]" 1
1141 1 82 ARG HD3 1 83 LEU H . . 5.100 3.838 2.206 5.132 0.032 9 0 "[ . 1 . 2]" 1
1142 1 82 ARG HD3 1 92 PHE HB2 . . 4.650 4.165 3.142 4.884 0.234 1 0 "[ . 1 . 2]" 1
1143 1 82 ARG QD 1 83 LEU H . . 4.460 3.392 2.192 4.565 0.105 9 0 "[ . 1 . 2]" 1
1144 1 82 ARG QG 1 83 LEU H . . 4.270 3.092 2.411 3.678 . 0 0 "[ . 1 . 2]" 1
1145 1 82 ARG QG 1 83 LEU HA . . 5.340 4.166 3.778 5.530 0.190 13 0 "[ . 1 . 2]" 1
1146 1 82 ARG QG 1 92 PHE HB2 . . 4.720 3.059 2.257 4.131 . 0 0 "[ . 1 . 2]" 1
1147 1 83 LEU H 1 83 LEU HB2 . . 3.760 2.562 2.498 2.623 . 0 0 "[ . 1 . 2]" 1
1148 1 83 LEU H 1 83 LEU HB3 . . 4.110 3.725 3.669 3.777 . 0 0 "[ . 1 . 2]" 1
1149 1 83 LEU H 1 83 LEU HG . . 3.130 2.743 2.543 2.928 . 0 0 "[ . 1 . 2]" 1
1150 1 83 LEU H 1 83 LEU MD1 . . 4.150 3.963 3.819 4.112 . 0 0 "[ . 1 . 2]" 1
1151 1 83 LEU H 1 83 LEU MD2 . . 3.860 3.594 3.458 3.720 . 0 0 "[ . 1 . 2]" 1
1152 1 83 LEU H 1 84 VAL H . . 4.650 4.564 4.518 4.619 . 0 0 "[ . 1 . 2]" 1
1153 1 83 LEU H 1 92 PHE H . . 5.300 5.043 4.941 5.206 . 0 0 "[ . 1 . 2]" 1
1154 1 83 LEU HA 1 83 LEU HG . . 3.980 3.182 3.128 3.213 . 0 0 "[ . 1 . 2]" 1
1155 1 83 LEU HA 1 83 LEU MD1 . . 3.840 3.789 3.754 3.826 . 0 0 "[ . 1 . 2]" 1
1156 1 83 LEU HA 1 83 LEU MD2 . . 2.680 2.064 2.028 2.076 . 0 0 "[ . 1 . 2]" 1
1157 1 83 LEU HA 1 84 VAL H . . 3.360 2.353 2.337 2.389 . 0 0 "[ . 1 . 2]" 1
1158 1 83 LEU HA 1 91 ALA MB . . 3.450 3.225 3.018 3.388 . 0 0 "[ . 1 . 2]" 1
1159 1 83 LEU HA 1 92 PHE H . . 4.330 3.348 3.262 3.580 . 0 0 "[ . 1 . 2]" 1
1160 1 83 LEU HB2 1 83 LEU MD1 . . 2.760 2.372 2.341 2.414 . 0 0 "[ . 1 . 2]" 1
1161 1 83 LEU HB2 1 84 VAL H . . 3.750 3.662 3.595 3.700 . 0 0 "[ . 1 . 2]" 1
1162 1 83 LEU HB3 1 84 VAL H . . 3.380 2.494 2.389 2.539 . 0 0 "[ . 1 . 2]" 1
1163 1 83 LEU HB3 1 84 VAL HA . . 5.500 4.508 4.473 4.651 . 0 0 "[ . 1 . 2]" 1
1164 1 83 LEU HB3 1 91 ALA MB . . 5.460 4.456 4.233 4.679 . 0 0 "[ . 1 . 2]" 1
1165 1 83 LEU HG 1 84 VAL H . . 5.180 4.947 4.907 4.973 . 0 0 "[ . 1 . 2]" 1
1166 1 83 LEU HG 1 91 ALA MB . . 5.190 4.460 4.320 4.612 . 0 0 "[ . 1 . 2]" 1
1167 1 83 LEU MD2 1 84 VAL H . . 3.450 3.463 3.392 3.508 0.058 4 0 "[ . 1 . 2]" 1
1168 1 83 LEU MD2 1 91 ALA HA . . 4.310 3.331 3.140 3.469 . 0 0 "[ . 1 . 2]" 1
1169 1 83 LEU MD2 1 91 ALA MB . . 3.210 2.163 2.034 2.289 . 0 0 "[ . 1 . 2]" 1
1170 1 83 LEU MD2 1 92 PHE H . . 4.090 3.092 2.971 3.202 . 0 0 "[ . 1 . 2]" 1
1171 1 84 VAL H 1 84 VAL HB . . 3.390 2.586 2.491 3.047 . 0 0 "[ . 1 . 2]" 1
1172 1 84 VAL H 1 84 VAL MG1 . . 3.940 3.695 2.059 3.806 . 0 0 "[ . 1 . 2]" 1
1173 1 84 VAL H 1 84 VAL MG2 . . 3.940 3.097 2.490 3.880 . 0 0 "[ . 1 . 2]" 1
1174 1 84 VAL H 1 87 ARG H . . 5.500 5.494 4.933 5.677 0.177 11 0 "[ . 1 . 2]" 1
1175 1 84 VAL H 1 90 ILE MD . . 4.800 4.194 3.563 4.970 0.170 2 0 "[ . 1 . 2]" 1
1176 1 84 VAL H 1 91 ALA HA . . 4.410 3.573 3.302 4.007 . 0 0 "[ . 1 . 2]" 1
1177 1 84 VAL H 1 91 ALA MB . . 4.750 4.271 4.036 4.486 . 0 0 "[ . 1 . 2]" 1
1178 1 84 VAL HB 1 90 ILE MD . . 4.100 2.619 2.153 3.926 . 0 0 "[ . 1 . 2]" 1
1179 1 84 VAL HB 1 90 ILE QG . . 5.300 3.796 2.719 4.525 . 0 0 "[ . 1 . 2]" 1
1180 1 84 VAL HB 1 91 ALA MB . . 5.280 5.229 5.077 5.432 0.152 2 0 "[ . 1 . 2]" 1
1181 1 84 VAL HB 1 92 PHE QD . . 5.500 3.949 3.262 5.105 . 0 0 "[ . 1 . 2]" 1
1182 1 84 VAL MG1 1 90 ILE HB . . 5.500 5.467 3.602 5.641 0.141 11 0 "[ . 1 . 2]" 1
1183 1 84 VAL MG1 1 92 PHE QD . . 4.820 4.785 3.580 4.924 0.104 7 0 "[ . 1 . 2]" 1
1184 1 84 VAL MG2 1 90 ILE HB . . 5.500 5.369 3.821 5.540 0.040 2 0 "[ . 1 . 2]" 1
1185 1 84 VAL MG2 1 92 PHE QD . . 4.820 2.656 2.482 4.653 . 0 0 "[ . 1 . 2]" 1
1186 1 85 PRO HA 1 86 GLY H . . 3.020 2.354 2.177 2.410 . 0 0 "[ . 1 . 2]" 1
1187 1 85 PRO QB 1 86 GLY H . . 4.400 2.711 2.574 3.230 . 0 0 "[ . 1 . 2]" 1
1188 1 86 GLY H 1 87 ARG H . . 3.390 2.727 2.634 3.028 . 0 0 "[ . 1 . 2]" 1
1189 1 87 ARG H 1 87 ARG HG2 . . 4.720 4.275 3.403 4.746 0.026 14 0 "[ . 1 . 2]" 1
1190 1 87 ARG H 1 87 ARG HG3 . . 4.720 3.854 2.412 4.490 . 0 0 "[ . 1 . 2]" 1
1191 1 87 ARG H 1 87 ARG QB . . 3.070 2.686 2.189 3.153 0.083 3 0 "[ . 1 . 2]" 1
1192 1 87 ARG H 1 87 ARG QG . . 4.100 3.502 2.392 4.019 . 0 0 "[ . 1 . 2]" 1
1193 1 87 ARG HA 1 87 ARG HD2 . . 4.780 4.088 3.154 4.685 . 0 0 "[ . 1 . 2]" 1
1194 1 87 ARG HA 1 87 ARG HD3 . . 4.780 3.899 2.036 5.224 0.444 3 0 "[ . 1 . 2]" 1
1195 1 87 ARG HA 1 87 ARG QD . . 3.980 3.439 2.014 3.979 . 0 0 "[ . 1 . 2]" 1
1196 1 87 ARG HB2 1 90 ILE MD . . 4.550 3.177 2.614 4.550 . 0 0 "[ . 1 . 2]" 1
1197 1 87 ARG HB3 1 90 ILE MD . . 4.550 3.551 2.942 4.300 . 0 0 "[ . 1 . 2]" 1
1198 1 87 ARG HD2 1 90 ILE MD . . 4.340 3.398 2.157 4.450 0.110 14 0 "[ . 1 . 2]" 1
1199 1 87 ARG HD3 1 90 ILE MD . . 4.340 3.499 2.366 4.541 0.201 20 0 "[ . 1 . 2]" 1
1200 1 87 ARG HE 1 90 ILE MD . . 5.500 4.112 2.198 5.455 . 0 0 "[ . 1 . 2]" 1
1201 1 87 ARG HG2 1 89 ASP H . . 5.500 4.660 2.702 5.647 0.147 5 0 "[ . 1 . 2]" 1
1202 1 87 ARG HG3 1 89 ASP H . . 5.500 5.130 3.923 5.636 0.136 10 0 "[ . 1 . 2]" 1
1203 1 87 ARG QB 1 89 ASP H . . 3.540 2.903 2.539 3.305 . 0 0 "[ . 1 . 2]" 1
1204 1 87 ARG QB 1 90 ILE H . . 5.070 3.061 2.831 4.130 . 0 0 "[ . 1 . 2]" 1
1205 1 87 ARG QB 1 90 ILE MD . . 3.990 2.944 2.548 3.931 . 0 0 "[ . 1 . 2]" 1
1206 1 87 ARG QD 1 90 ILE MD . . 3.820 2.896 2.049 3.748 . 0 0 "[ . 1 . 2]" 1
1207 1 87 ARG QG 1 89 ASP H . . 4.800 4.239 2.668 4.886 0.086 1 0 "[ . 1 . 2]" 1
1208 1 88 HIS HA 1 88 HIS HD2 . . 4.380 4.370 4.273 4.405 0.025 11 0 "[ . 1 . 2]" 1
1209 1 88 HIS HA 1 89 ASP H . . 3.400 3.468 3.421 3.507 0.107 7 0 "[ . 1 . 2]" 1
1210 1 88 HIS HB2 1 88 HIS HD2 . . 3.500 2.737 2.697 2.764 . 0 0 "[ . 1 . 2]" 1
1211 1 88 HIS HB2 1 89 ASP H . . 4.550 4.093 4.011 4.226 . 0 0 "[ . 1 . 2]" 1
1212 1 88 HIS HB2 1 89 ASP HA . . 5.040 4.614 4.564 4.655 . 0 0 "[ . 1 . 2]" 1
1213 1 88 HIS HB3 1 89 ASP H . . 5.240 4.216 4.139 4.324 . 0 0 "[ . 1 . 2]" 1
1214 1 88 HIS HD2 1 89 ASP H . . 4.790 3.541 3.342 3.858 . 0 0 "[ . 1 . 2]" 1
1215 1 88 HIS HD2 1 89 ASP HA . . 3.400 3.115 2.935 3.186 . 0 0 "[ . 1 . 2]" 1
1216 1 88 HIS HD2 1 89 ASP QB . . 4.000 3.125 2.992 3.389 . 0 0 "[ . 1 . 2]" 1
1217 1 88 HIS HD2 1 90 ILE H . . 5.500 5.280 5.135 5.532 0.032 11 0 "[ . 1 . 2]" 1
1218 1 89 ASP H 1 89 ASP HB2 . . 3.790 3.484 2.404 3.631 . 0 0 "[ . 1 . 2]" 1
1219 1 89 ASP H 1 89 ASP HB3 . . 3.790 2.814 2.517 2.904 . 0 0 "[ . 1 . 2]" 1
1220 1 89 ASP H 1 89 ASP QB . . 3.070 2.691 2.198 2.793 . 0 0 "[ . 1 . 2]" 1
1221 1 89 ASP H 1 90 ILE H . . 2.900 2.522 2.416 2.586 . 0 0 "[ . 1 . 2]" 1
1222 1 89 ASP H 1 90 ILE MD . . 5.500 5.202 5.076 5.313 . 0 0 "[ . 1 . 2]" 1
1223 1 89 ASP H 1 90 ILE QG . . 5.390 3.666 3.569 3.810 . 0 0 "[ . 1 . 2]" 1
1224 1 89 ASP H 1 90 ILE MG . . 4.220 3.869 3.791 3.994 . 0 0 "[ . 1 . 2]" 1
1225 1 89 ASP HA 1 90 ILE MG . . 4.210 4.209 4.136 4.280 0.070 20 0 "[ . 1 . 2]" 1
1226 1 89 ASP HA 1 117 ASN HB3 . . 5.500 5.655 5.530 5.703 0.203 7 0 "[ . 1 . 2]" 1
1227 1 89 ASP HB2 1 90 ILE H . . 4.750 4.301 4.233 4.364 . 0 0 "[ . 1 . 2]" 1
1228 1 89 ASP HB2 1 90 ILE MG . . 5.280 3.456 3.282 4.168 . 0 0 "[ . 1 . 2]" 1
1229 1 89 ASP HB3 1 90 ILE H . . 4.750 4.398 3.458 4.534 . 0 0 "[ . 1 . 2]" 1
1230 1 89 ASP HB3 1 90 ILE MG . . 5.280 4.206 2.565 4.464 . 0 0 "[ . 1 . 2]" 1
1231 1 89 ASP QB 1 90 ILE H . . 4.100 3.858 3.311 3.958 . 0 0 "[ . 1 . 2]" 1
1232 1 89 ASP QB 1 90 ILE MG . . 4.560 3.202 2.541 3.350 . 0 0 "[ . 1 . 2]" 1
1233 1 90 ILE H 1 90 ILE MD . . 3.950 3.765 3.518 4.081 0.131 7 0 "[ . 1 . 2]" 1
1234 1 90 ILE H 1 90 ILE QG . . 3.520 2.326 2.224 2.403 . 0 0 "[ . 1 . 2]" 1
1235 1 90 ILE H 1 90 ILE MG . . 3.480 2.999 2.950 3.038 . 0 0 "[ . 1 . 2]" 1
1236 1 90 ILE HA 1 90 ILE MD . . 4.110 3.850 3.649 4.133 0.023 20 0 "[ . 1 . 2]" 1
1237 1 90 ILE HA 1 90 ILE MG . . 2.940 2.354 2.333 2.380 . 0 0 "[ . 1 . 2]" 1
1238 1 90 ILE HA 1 91 ALA H . . 2.930 2.291 2.263 2.326 . 0 0 "[ . 1 . 2]" 1
1239 1 90 ILE HA 1 91 ALA MB . . 4.390 3.846 3.812 3.878 . 0 0 "[ . 1 . 2]" 1
1240 1 90 ILE HB 1 90 ILE MD . . 3.020 2.220 2.189 2.269 . 0 0 "[ . 1 . 2]" 1
1241 1 90 ILE HB 1 91 ALA H . . 3.090 2.582 2.501 2.675 . 0 0 "[ . 1 . 2]" 1
1242 1 90 ILE HB 1 91 ALA MB . . 4.830 4.689 4.620 4.758 . 0 0 "[ . 1 . 2]" 1
1243 1 90 ILE MD 1 91 ALA H . . 4.260 3.550 3.113 4.101 . 0 0 "[ . 1 . 2]" 1
1244 1 90 ILE MD 1 91 ALA HA . . 4.400 3.408 2.647 4.415 0.015 9 0 "[ . 1 . 2]" 1
1245 1 90 ILE QG 1 90 ILE MG . . 3.190 2.148 2.050 2.300 . 0 0 "[ . 1 . 2]" 1
1246 1 90 ILE MG 1 91 ALA H . . 3.880 3.745 3.659 3.803 . 0 0 "[ . 1 . 2]" 1
1247 1 91 ALA H 1 91 ALA MB . . 3.300 2.778 2.766 2.801 . 0 0 "[ . 1 . 2]" 1
1248 1 91 ALA H 1 92 PHE H . . 4.530 4.356 4.341 4.371 . 0 0 "[ . 1 . 2]" 1
1249 1 91 ALA HA 1 92 PHE H . . 2.920 2.648 2.610 2.685 . 0 0 "[ . 1 . 2]" 1
1250 1 91 ALA MB 1 92 PHE H . . 2.920 2.084 2.034 2.116 . 0 0 "[ . 1 . 2]" 1
1251 1 91 ALA MB 1 92 PHE HA . . 4.590 3.931 3.881 3.952 . 0 0 "[ . 1 . 2]" 1
1252 1 91 ALA MB 1 92 PHE HB2 . . 4.600 4.524 4.487 4.583 . 0 0 "[ . 1 . 2]" 1
1253 1 91 ALA MB 1 93 VAL MG2 . . 3.950 3.284 3.233 3.366 . 0 0 "[ . 1 . 2]" 1
1254 1 92 PHE H 1 92 PHE HB2 . . 3.070 2.754 2.726 2.787 . 0 0 "[ . 1 . 2]" 1
1255 1 92 PHE H 1 92 PHE QD . . 3.840 2.842 2.718 3.120 . 0 0 "[ . 1 . 2]" 1
1256 1 92 PHE H 1 93 VAL MG2 . . 4.970 3.515 3.464 3.584 . 0 0 "[ . 1 . 2]" 1
1257 1 92 PHE HA 1 92 PHE QD . . 3.500 3.185 3.061 3.230 . 0 0 "[ . 1 . 2]" 1
1258 1 92 PHE HA 1 93 VAL H . . 2.800 2.327 2.315 2.340 . 0 0 "[ . 1 . 2]" 1
1259 1 92 PHE HA 1 93 VAL HB . . 5.420 4.511 4.485 4.529 . 0 0 "[ . 1 . 2]" 1
1260 1 92 PHE HA 1 93 VAL MG1 . . 5.430 5.446 5.431 5.459 0.029 12 0 "[ . 1 . 2]" 1
1261 1 92 PHE HA 1 93 VAL MG2 . . 4.000 3.528 3.483 3.558 . 0 0 "[ . 1 . 2]" 1
1262 1 92 PHE HB2 1 93 VAL MG2 . . 5.500 4.747 4.694 4.776 . 0 0 "[ . 1 . 2]" 1
1263 1 92 PHE HB3 1 93 VAL H . . 3.380 2.866 2.813 2.922 . 0 0 "[ . 1 . 2]" 1
1264 1 92 PHE HB3 1 93 VAL MG2 . . 5.250 4.792 4.762 4.814 . 0 0 "[ . 1 . 2]" 1
1265 1 92 PHE QD 1 93 VAL H . . 4.100 4.154 3.992 4.229 0.129 13 0 "[ . 1 . 2]" 1
1266 1 92 PHE QD 1 124 ALA MB . . 3.170 2.213 2.086 2.319 . 0 0 "[ . 1 . 2]" 1
1267 1 93 VAL H 1 93 VAL HB . . 3.390 2.963 2.945 2.979 . 0 0 "[ . 1 . 2]" 1
1268 1 93 VAL H 1 93 VAL MG1 . . 4.000 3.965 3.949 3.990 . 0 0 "[ . 1 . 2]" 1
1269 1 93 VAL H 1 93 VAL MG2 . . 3.210 3.174 3.149 3.216 0.006 12 0 "[ . 1 . 2]" 1
1270 1 93 VAL H 1 94 GLU HG3 . . 5.290 4.827 4.600 4.975 . 0 0 "[ . 1 . 2]" 1
1271 1 93 VAL HA 1 93 VAL MG1 . . 3.160 2.337 2.313 2.380 . 0 0 "[ . 1 . 2]" 1
1272 1 93 VAL HA 1 93 VAL MG2 . . 3.150 2.385 2.371 2.402 . 0 0 "[ . 1 . 2]" 1
1273 1 93 VAL HA 1 94 GLU H . . 3.050 2.179 2.153 2.207 . 0 0 "[ . 1 . 2]" 1
1274 1 93 VAL HB 1 94 GLU H . . 5.030 4.069 4.022 4.101 . 0 0 "[ . 1 . 2]" 1
1275 1 93 VAL HB 1 94 GLU HA . . 5.290 4.913 4.892 4.939 . 0 0 "[ . 1 . 2]" 1
1276 1 93 VAL HB 1 95 PHE QD . . 5.500 5.361 4.686 5.458 . 0 0 "[ . 1 . 2]" 1
1277 1 93 VAL MG1 1 94 GLU H . . 3.250 2.293 2.236 2.344 . 0 0 "[ . 1 . 2]" 1
1278 1 93 VAL MG1 1 94 GLU HA . . 4.800 3.607 3.588 3.635 . 0 0 "[ . 1 . 2]" 1
1279 1 93 VAL MG1 1 94 GLU QB . . 5.500 3.961 3.935 4.020 . 0 0 "[ . 1 . 2]" 1
1280 1 93 VAL MG1 1 95 PHE QD . . 4.050 3.661 2.832 3.749 . 0 0 "[ . 1 . 2]" 1
1281 1 93 VAL MG1 1 95 PHE QE . . 5.190 5.001 2.964 5.150 . 0 0 "[ . 1 . 2]" 1
1282 1 93 VAL MG2 1 94 GLU H . . 4.040 3.871 3.845 3.896 . 0 0 "[ . 1 . 2]" 1
1283 1 93 VAL MG2 1 94 GLU HA . . 5.500 5.594 5.587 5.607 0.107 12 0 "[ . 1 . 2]" 1
1284 1 93 VAL MG2 1 113 ILE MD . . 5.900 5.974 5.755 6.094 0.194 12 0 "[ . 1 . 2]" 1
1285 1 94 GLU H 1 94 GLU QB . . 3.000 2.588 2.568 2.613 . 0 0 "[ . 1 . 2]" 1
1286 1 94 GLU HA 1 94 GLU HG3 . . 4.150 3.171 3.131 3.229 . 0 0 "[ . 1 . 2]" 1
1287 1 94 GLU HA 1 95 PHE H . . 2.950 2.095 2.076 2.126 . 0 0 "[ . 1 . 2]" 1
1288 1 94 GLU HA 1 95 PHE HB2 . . 5.330 3.968 3.925 4.254 . 0 0 "[ . 1 . 2]" 1
1289 1 94 GLU HA 1 95 PHE HB3 . . 5.460 4.879 4.805 5.589 0.129 12 0 "[ . 1 . 2]" 1
1290 1 94 GLU HA 1 95 PHE QD . . 5.060 5.118 3.664 5.227 0.167 10 0 "[ . 1 . 2]" 1
1291 1 94 GLU HA 1 101 ALA H . . 5.260 5.603 5.441 5.672 0.412 18 0 "[ . 1 . 2]" 1
1292 1 94 GLU HA 1 101 ALA MB . . 4.220 2.988 2.827 3.024 . 0 0 "[ . 1 . 2]" 1
1293 1 94 GLU HG2 1 95 PHE H . . 4.400 4.402 4.327 4.439 0.039 11 0 "[ . 1 . 2]" 1
1294 1 94 GLU HG3 1 95 PHE H . . 4.810 5.024 4.993 5.049 0.239 19 0 "[ . 1 . 2]" 1
1295 1 94 GLU QB 1 101 ALA MB . . 3.950 4.065 4.009 4.091 0.141 2 0 "[ . 1 . 2]" 1
1296 1 95 PHE H 1 95 PHE HB2 . . 3.620 2.265 2.225 2.305 . 0 0 "[ . 1 . 2]" 1
1297 1 95 PHE H 1 95 PHE QD . . 4.040 3.935 2.854 4.040 . 0 0 "[ . 1 . 2]" 1
1298 1 95 PHE H 1 101 ALA H . . 4.650 4.090 3.924 4.128 . 0 0 "[ . 1 . 2]" 1
1299 1 95 PHE H 1 101 ALA MB . . 4.150 2.185 2.147 2.224 . 0 0 "[ . 1 . 2]" 1
1300 1 95 PHE HA 1 95 PHE QD . . 4.340 2.563 2.489 2.648 . 0 0 "[ . 1 . 2]" 1
1301 1 95 PHE HA 1 96 ASP H . . 2.920 2.797 2.577 2.870 . 0 0 "[ . 1 . 2]" 1
1302 1 95 PHE HA 1 96 ASP QB . . 5.250 4.576 4.317 4.644 . 0 0 "[ . 1 . 2]" 1
1303 1 95 PHE HA 1 97 ASN H . . 5.500 4.724 4.454 4.763 . 0 0 "[ . 1 . 2]" 1
1304 1 95 PHE HA 1 104 ALA MB . . 4.830 4.562 4.440 4.984 0.154 12 0 "[ . 1 . 2]" 1
1305 1 95 PHE HB2 1 97 ASN H . . 5.130 4.567 3.687 4.692 . 0 0 "[ . 1 . 2]" 1
1306 1 95 PHE HB2 1 100 GLN HB2 . . 5.220 4.635 3.211 4.858 . 0 0 "[ . 1 . 2]" 1
1307 1 95 PHE HB2 1 101 ALA H . . 3.950 3.627 2.799 3.770 . 0 0 "[ . 1 . 2]" 1
1308 1 95 PHE HB2 1 101 ALA MB . . 3.430 2.478 2.444 2.573 . 0 0 "[ . 1 . 2]" 1
1309 1 95 PHE HB2 1 103 ALA MB . . 5.450 5.522 5.273 5.573 0.123 13 0 "[ . 1 . 2]" 1
1310 1 95 PHE HB2 1 104 ALA MB . . 3.940 3.258 3.110 3.962 0.022 12 0 "[ . 1 . 2]" 1
1311 1 95 PHE HB3 1 96 ASP H . . 3.200 2.635 2.085 2.764 . 0 0 "[ . 1 . 2]" 1
1312 1 95 PHE HB3 1 97 ASN H . . 4.430 2.963 2.862 3.034 . 0 0 "[ . 1 . 2]" 1
1313 1 95 PHE HB3 1 100 GLN HB2 . . 5.080 3.030 2.417 3.188 . 0 0 "[ . 1 . 2]" 1
1314 1 95 PHE HB3 1 101 ALA H . . 5.270 3.118 2.993 3.976 . 0 0 "[ . 1 . 2]" 1
1315 1 95 PHE HB3 1 101 ALA MB . . 4.300 3.070 2.882 4.129 . 0 0 "[ . 1 . 2]" 1
1316 1 95 PHE QD 1 96 ASP H . . 3.810 2.350 2.240 3.515 . 0 0 "[ . 1 . 2]" 1
1317 1 95 PHE QD 1 97 ASN H . . 5.000 3.691 3.494 4.830 . 0 0 "[ . 1 . 2]" 1
1318 1 95 PHE QD 1 100 GLN H . . 5.220 4.525 4.438 5.245 0.025 12 0 "[ . 1 . 2]" 1
1319 1 95 PHE QD 1 100 GLN HB2 . . 3.980 2.460 2.351 3.446 . 0 0 "[ . 1 . 2]" 1
1320 1 95 PHE QD 1 100 GLN HB3 . . 4.490 1.987 1.964 2.132 . 0 0 "[ . 1 . 2]" 1
1321 1 95 PHE QD 1 100 GLN HE21 . . 4.240 4.161 3.935 4.301 0.061 12 0 "[ . 1 . 2]" 1
1322 1 95 PHE QD 1 100 GLN HE22 . . 4.260 2.683 2.431 2.816 . 0 0 "[ . 1 . 2]" 1
1323 1 95 PHE QD 1 101 ALA H . . 4.980 4.431 4.347 4.627 . 0 0 "[ . 1 . 2]" 1
1324 1 95 PHE QD 1 101 ALA MB . . 4.040 4.052 3.439 4.114 0.074 10 0 "[ . 1 . 2]" 1
1325 1 95 PHE QD 1 103 ALA H . . 5.080 5.253 5.206 5.287 0.207 2 0 "[ . 1 . 2]" 1
1326 1 95 PHE QD 1 104 ALA MB . . 3.420 2.624 2.564 3.035 . 0 0 "[ . 1 . 2]" 1
1327 1 95 PHE QD 1 107 ALA MB . . 5.870 5.748 5.611 5.933 0.063 12 0 "[ . 1 . 2]" 1
1328 1 95 PHE QE 1 103 ALA MB . . 4.400 3.902 3.813 4.226 . 0 0 "[ . 1 . 2]" 1
1329 1 95 PHE QE 1 104 ALA H . . 5.070 4.630 4.430 4.674 . 0 0 "[ . 1 . 2]" 1
1330 1 95 PHE QE 1 104 ALA MB . . 3.100 2.368 2.333 2.468 . 0 0 "[ . 1 . 2]" 1
1331 1 96 ASP H 1 96 ASP HB2 . . 3.230 2.300 2.230 2.331 . 0 0 "[ . 1 . 2]" 1
1332 1 96 ASP H 1 96 ASP HB3 . . 3.230 2.683 2.643 2.723 . 0 0 "[ . 1 . 2]" 1
1333 1 96 ASP H 1 96 ASP QB . . 2.720 2.175 2.127 2.191 . 0 0 "[ . 1 . 2]" 1
1334 1 96 ASP H 1 97 ASN H . . 3.430 3.036 2.927 3.094 . 0 0 "[ . 1 . 2]" 1
1335 1 96 ASP H 1 100 GLN HB2 . . 5.500 3.585 3.498 3.694 . 0 0 "[ . 1 . 2]" 1
1336 1 96 ASP H 1 100 GLN HB3 . . 5.500 4.065 3.974 4.108 . 0 0 "[ . 1 . 2]" 1
1337 1 96 ASP H 1 101 ALA MB . . 5.500 5.251 5.154 5.561 0.061 12 0 "[ . 1 . 2]" 1
1338 1 96 ASP HB2 1 97 ASN H . . 3.850 3.845 3.778 3.938 0.088 12 0 "[ . 1 . 2]" 1
1339 1 96 ASP HB2 1 100 GLN HE21 . . 4.640 3.057 2.936 3.134 . 0 0 "[ . 1 . 2]" 1
1340 1 96 ASP HB3 1 97 ASN H . . 3.850 2.558 2.460 2.826 . 0 0 "[ . 1 . 2]" 1
1341 1 96 ASP HB3 1 100 GLN HE21 . . 4.640 2.519 2.352 2.561 . 0 0 "[ . 1 . 2]" 1
1342 1 96 ASP QB 1 97 ASN H . . 3.090 2.522 2.430 2.766 . 0 0 "[ . 1 . 2]" 1
1343 1 96 ASP QB 1 97 ASN HD21 . . 4.660 3.873 3.672 4.335 . 0 0 "[ . 1 . 2]" 1
1344 1 96 ASP QB 1 100 GLN HE21 . . 4.060 2.407 2.262 2.450 . 0 0 "[ . 1 . 2]" 1
1345 1 96 ASP QB 1 100 GLN HE22 . . 4.370 2.555 2.443 2.749 . 0 0 "[ . 1 . 2]" 1
1346 1 97 ASN H 1 97 ASN HB3 . . 3.320 3.318 3.209 3.365 0.045 13 0 "[ . 1 . 2]" 1
1347 1 97 ASN H 1 97 ASN HD21 . . 4.640 3.857 3.795 3.965 . 0 0 "[ . 1 . 2]" 1
1348 1 97 ASN H 1 97 ASN HD22 . . 4.870 2.805 2.706 2.895 . 0 0 "[ . 1 . 2]" 1
1349 1 97 ASN H 1 99 VAL H . . 5.420 4.274 4.213 4.380 . 0 0 "[ . 1 . 2]" 1
1350 1 97 ASN H 1 100 GLN H . . 4.180 3.266 3.212 3.394 . 0 0 "[ . 1 . 2]" 1
1351 1 97 ASN H 1 100 GLN HA . . 5.170 5.293 5.237 5.388 0.218 12 0 "[ . 1 . 2]" 1
1352 1 97 ASN H 1 100 GLN HB2 . . 3.840 2.604 2.530 2.654 . 0 0 "[ . 1 . 2]" 1
1353 1 97 ASN HA 1 99 VAL H . . 4.480 4.401 4.348 4.458 . 0 0 "[ . 1 . 2]" 1
1354 1 97 ASN HB2 1 99 VAL H . . 5.000 3.579 3.537 3.659 . 0 0 "[ . 1 . 2]" 1
1355 1 97 ASN HB3 1 97 ASN HD22 . . 3.550 2.418 2.381 2.456 . 0 0 "[ . 1 . 2]" 1
1356 1 97 ASN HB3 1 99 VAL H . . 5.260 4.486 4.454 4.521 . 0 0 "[ . 1 . 2]" 1
1357 1 97 ASN HD21 1 98 GLU H . . 5.550 5.164 4.987 5.290 . 0 0 "[ . 1 . 2]" 1
1358 1 97 ASN HD21 1 99 VAL HB . . 5.160 2.566 2.513 2.609 . 0 0 "[ . 1 . 2]" 1
1359 1 97 ASN HD21 1 99 VAL MG2 . . 5.270 3.731 3.696 3.772 . 0 0 "[ . 1 . 2]" 1
1360 1 97 ASN HD21 1 100 GLN HE21 . . 4.560 4.145 4.023 4.572 0.012 12 0 "[ . 1 . 2]" 1
1361 1 97 ASN HD21 1 100 GLN HE22 . . 4.420 4.460 4.437 4.525 0.105 12 0 "[ . 1 . 2]" 1
1362 1 97 ASN HD21 1 100 GLN HG2 . . 5.090 4.094 3.873 4.240 . 0 0 "[ . 1 . 2]" 1
1363 1 97 ASN HD21 1 100 GLN HG3 . . 3.990 2.621 2.192 2.863 . 0 0 "[ . 1 . 2]" 1
1364 1 97 ASN HD22 1 99 VAL HB . . 4.940 4.099 4.065 4.132 . 0 0 "[ . 1 . 2]" 1
1365 1 97 ASN HD22 1 99 VAL MG1 . . 5.180 5.241 5.219 5.262 0.082 12 0 "[ . 1 . 2]" 1
1366 1 97 ASN HD22 1 99 VAL MG2 . . 4.730 4.877 4.855 4.898 0.168 2 0 "[ . 1 . 2]" 1
1367 1 97 ASN HD22 1 100 GLN H . . 4.830 3.524 3.366 3.617 . 0 0 "[ . 1 . 2]" 1
1368 1 97 ASN HD22 1 100 GLN HE21 . . 5.180 3.518 3.444 3.707 . 0 0 "[ . 1 . 2]" 1
1369 1 97 ASN HD22 1 100 GLN HG2 . . 4.850 4.803 4.555 4.913 0.063 14 0 "[ . 1 . 2]" 1
1370 1 97 ASN HD22 1 100 GLN HG3 . . 4.760 3.757 3.223 3.970 . 0 0 "[ . 1 . 2]" 1
1371 1 98 GLU H 1 98 GLU HB3 . . 4.100 2.535 2.397 3.551 . 0 0 "[ . 1 . 2]" 1
1372 1 98 GLU H 1 98 GLU QG . . 4.300 2.147 1.839 3.095 . 0 0 "[ . 1 . 2]" 1
1373 1 98 GLU HA 1 98 GLU QG . . 3.730 3.323 2.473 3.509 . 0 0 "[ . 1 . 2]" 1
1374 1 99 VAL H 1 99 VAL HB . . 2.750 2.421 2.407 2.456 . 0 0 "[ . 1 . 2]" 1
1375 1 99 VAL H 1 99 VAL MG1 . . 3.850 3.740 3.730 3.753 . 0 0 "[ . 1 . 2]" 1
1376 1 99 VAL H 1 99 VAL MG2 . . 2.780 2.200 2.135 2.237 . 0 0 "[ . 1 . 2]" 1
1377 1 99 VAL H 1 100 GLN H . . 2.790 2.506 2.459 2.554 . 0 0 "[ . 1 . 2]" 1
1378 1 99 VAL H 1 101 ALA H . . 4.220 4.122 4.070 4.272 0.052 15 0 "[ . 1 . 2]" 1
1379 1 99 VAL HA 1 99 VAL MG1 . . 2.830 2.387 2.373 2.403 . 0 0 "[ . 1 . 2]" 1
1380 1 99 VAL HA 1 99 VAL MG2 . . 2.610 2.388 2.369 2.406 . 0 0 "[ . 1 . 2]" 1
1381 1 99 VAL HA 1 101 ALA H . . 4.300 4.201 4.099 4.258 . 0 0 "[ . 1 . 2]" 1
1382 1 99 VAL HA 1 101 ALA MB . . 5.250 5.064 4.941 5.121 . 0 0 "[ . 1 . 2]" 1
1383 1 99 VAL HB 1 100 GLN H . . 3.120 2.390 2.342 2.497 . 0 0 "[ . 1 . 2]" 1
1384 1 99 VAL HB 1 100 GLN HB2 . . 4.770 4.253 4.203 4.347 . 0 0 "[ . 1 . 2]" 1
1385 1 99 VAL HB 1 101 ALA H . . 5.430 4.888 4.863 4.925 . 0 0 "[ . 1 . 2]" 1
1386 1 99 VAL MG1 1 100 GLN H . . 3.860 3.269 3.216 3.387 . 0 0 "[ . 1 . 2]" 1
1387 1 99 VAL MG1 1 100 GLN HG3 . . 5.500 2.862 2.722 3.298 . 0 0 "[ . 1 . 2]" 1
1388 1 99 VAL MG1 1 101 ALA H . . 4.530 4.695 4.659 4.736 0.206 1 0 "[ . 1 . 2]" 1
1389 1 99 VAL MG1 1 102 GLY H . . 4.570 4.576 4.401 4.632 0.062 6 0 "[ . 1 . 2]" 1
1390 1 99 VAL MG2 1 100 GLN H . . 3.610 3.753 3.736 3.769 0.159 12 0 "[ . 1 . 2]" 1
1391 1 100 GLN H 1 100 GLN HB2 . . 3.140 2.315 2.254 2.334 . 0 0 "[ . 1 . 2]" 1
1392 1 100 GLN H 1 100 GLN HE21 . . 5.500 5.440 5.361 5.544 0.044 12 0 "[ . 1 . 2]" 1
1393 1 100 GLN H 1 100 GLN HG2 . . 4.510 3.966 3.867 4.022 . 0 0 "[ . 1 . 2]" 1
1394 1 100 GLN H 1 100 GLN HG3 . . 4.280 2.641 2.599 2.699 . 0 0 "[ . 1 . 2]" 1
1395 1 100 GLN H 1 101 ALA H . . 3.270 2.850 2.783 2.943 . 0 0 "[ . 1 . 2]" 1
1396 1 100 GLN HA 1 100 GLN HG3 . . 4.180 2.521 2.443 2.631 . 0 0 "[ . 1 . 2]" 1
1397 1 100 GLN HB2 1 101 ALA H . . 4.170 3.657 3.518 3.713 . 0 0 "[ . 1 . 2]" 1
1398 1 100 GLN HB2 1 101 ALA MB . . 5.540 4.907 4.762 4.944 . 0 0 "[ . 1 . 2]" 1
1399 1 100 GLN HB2 1 103 ALA MB . . 5.460 4.553 4.506 4.724 . 0 0 "[ . 1 . 2]" 1
1400 1 100 GLN HB3 1 100 GLN HE21 . . 4.120 3.868 3.622 3.948 . 0 0 "[ . 1 . 2]" 1
1401 1 100 GLN HB3 1 100 GLN HE22 . . 4.430 2.271 1.959 2.383 . 0 0 "[ . 1 . 2]" 1
1402 1 100 GLN HB3 1 100 GLN HG2 . . 2.400 2.283 2.259 2.399 . 0 0 "[ . 1 . 2]" 1
1403 1 100 GLN HB3 1 101 ALA H . . 4.410 4.241 4.090 4.280 . 0 0 "[ . 1 . 2]" 1
1404 1 100 GLN HE22 1 100 GLN HG2 . . 3.850 2.810 2.731 3.071 . 0 0 "[ . 1 . 2]" 1
1405 1 100 GLN HG2 1 103 ALA MB . . 4.110 3.427 3.351 3.504 . 0 0 "[ . 1 . 2]" 1
1406 1 100 GLN HG3 1 103 ALA MB . . 4.280 4.357 4.323 4.454 0.174 12 0 "[ . 1 . 2]" 1
1407 1 101 ALA H 1 101 ALA MB . . 2.810 2.266 2.256 2.273 . 0 0 "[ . 1 . 2]" 1
1408 1 101 ALA H 1 102 GLY H . . 3.110 2.655 2.560 2.684 . 0 0 "[ . 1 . 2]" 1
1409 1 101 ALA H 1 104 ALA MB . . 5.070 4.980 4.837 5.052 . 0 0 "[ . 1 . 2]" 1
1410 1 101 ALA MB 1 102 GLY H . . 3.120 2.868 2.824 2.916 . 0 0 "[ . 1 . 2]" 1
1411 1 101 ALA MB 1 102 GLY HA2 . . 5.500 3.980 3.964 3.997 . 0 0 "[ . 1 . 2]" 1
1412 1 101 ALA MB 1 104 ALA MB . . 3.740 3.626 3.516 3.688 . 0 0 "[ . 1 . 2]" 1
1413 1 101 ALA MB 1 105 ARG H . . 4.980 4.773 4.692 4.863 . 0 0 "[ . 1 . 2]" 1
1414 1 102 GLY H 1 102 GLY HA3 . . 2.820 2.301 2.293 2.308 . 0 0 "[ . 1 . 2]" 1
1415 1 102 GLY H 1 103 ALA H . . 3.090 2.640 2.601 2.665 . 0 0 "[ . 1 . 2]" 1
1416 1 102 GLY H 1 103 ALA MB . . 4.640 4.279 4.244 4.304 . 0 0 "[ . 1 . 2]" 1
1417 1 102 GLY H 1 104 ALA H . . 4.370 4.129 4.046 4.171 . 0 0 "[ . 1 . 2]" 1
1418 1 102 GLY H 1 105 ARG H . . 5.050 4.890 4.850 4.920 . 0 0 "[ . 1 . 2]" 1
1419 1 102 GLY H 1 123 PHE QE . . 4.690 3.847 3.419 4.348 . 0 0 "[ . 1 . 2]" 1
1420 1 102 GLY HA2 1 103 ALA MB . . 5.130 5.011 5.002 5.016 . 0 0 "[ . 1 . 2]" 1
1421 1 102 GLY HA2 1 104 ALA H . . 4.670 4.236 4.147 4.274 . 0 0 "[ . 1 . 2]" 1
1422 1 102 GLY HA2 1 105 ARG H . . 3.980 3.352 3.282 3.405 . 0 0 "[ . 1 . 2]" 1
1423 1 102 GLY HA2 1 105 ARG HB2 . . 5.340 2.785 2.563 2.919 . 0 0 "[ . 1 . 2]" 1
1424 1 102 GLY HA2 1 105 ARG HB3 . . 4.980 3.375 3.261 3.503 . 0 0 "[ . 1 . 2]" 1
1425 1 102 GLY HA2 1 123 PHE QD . . 4.940 4.537 4.154 4.819 . 0 0 "[ . 1 . 2]" 1
1426 1 102 GLY HA2 1 123 PHE QE . . 4.250 3.033 2.324 3.494 . 0 0 "[ . 1 . 2]" 1
1427 1 102 GLY HA3 1 123 PHE QD . . 5.460 5.216 5.025 5.467 0.007 6 0 "[ . 1 . 2]" 1
1428 1 102 GLY HA3 1 123 PHE QE . . 3.870 3.151 2.769 3.565 . 0 0 "[ . 1 . 2]" 1
1429 1 103 ALA H 1 103 ALA MB . . 2.620 2.195 2.179 2.203 . 0 0 "[ . 1 . 2]" 1
1430 1 103 ALA H 1 104 ALA H . . 3.030 2.462 2.435 2.502 . 0 0 "[ . 1 . 2]" 1
1431 1 103 ALA H 1 104 ALA MB . . 4.520 4.119 4.049 4.165 . 0 0 "[ . 1 . 2]" 1
1432 1 103 ALA H 1 105 ARG H . . 4.130 3.898 3.861 3.930 . 0 0 "[ . 1 . 2]" 1
1433 1 103 ALA HA 1 106 ASP H . . 4.690 3.960 3.871 4.071 . 0 0 "[ . 1 . 2]" 1
1434 1 103 ALA MB 1 104 ALA H . . 3.010 2.649 2.630 2.679 . 0 0 "[ . 1 . 2]" 1
1435 1 103 ALA MB 1 104 ALA HA . . 4.580 3.866 3.846 3.919 . 0 0 "[ . 1 . 2]" 1
1436 1 103 ALA MB 1 104 ALA MB . . 3.850 3.607 3.572 3.660 . 0 0 "[ . 1 . 2]" 1
1437 1 103 ALA MB 1 105 ARG H . . 4.740 4.392 4.353 4.417 . 0 0 "[ . 1 . 2]" 1
1438 1 104 ALA H 1 104 ALA MB . . 2.730 2.187 2.155 2.201 . 0 0 "[ . 1 . 2]" 1
1439 1 104 ALA H 1 105 ARG H . . 3.030 2.514 2.489 2.535 . 0 0 "[ . 1 . 2]" 1
1440 1 104 ALA H 1 105 ARG HB2 . . 4.730 4.599 4.389 4.687 . 0 0 "[ . 1 . 2]" 1
1441 1 104 ALA H 1 106 ASP H . . 5.170 4.693 4.573 4.798 . 0 0 "[ . 1 . 2]" 1
1442 1 104 ALA H 1 107 ALA H . . 5.500 4.771 4.713 4.820 . 0 0 "[ . 1 . 2]" 1
1443 1 104 ALA HA 1 106 ASP H . . 5.200 4.635 4.550 4.793 . 0 0 "[ . 1 . 2]" 1
1444 1 104 ALA HA 1 107 ALA H . . 3.870 3.092 3.047 3.284 . 0 0 "[ . 1 . 2]" 1
1445 1 104 ALA HA 1 107 ALA MB . . 3.200 2.001 1.969 2.111 . 0 0 "[ . 1 . 2]" 1
1446 1 104 ALA HA 1 108 LEU H . . 4.510 4.139 4.076 4.354 . 0 0 "[ . 1 . 2]" 1
1447 1 104 ALA MB 1 105 ARG H . . 3.180 2.911 2.848 2.941 . 0 0 "[ . 1 . 2]" 1
1448 1 104 ALA MB 1 107 ALA H . . 5.120 4.262 4.231 4.391 . 0 0 "[ . 1 . 2]" 1
1449 1 104 ALA MB 1 107 ALA MB . . 3.400 3.212 3.153 3.411 0.011 12 0 "[ . 1 . 2]" 1
1450 1 104 ALA MB 1 108 LEU MD1 . . 3.920 3.390 3.250 3.682 . 0 0 "[ . 1 . 2]" 1
1451 1 105 ARG H 1 105 ARG HB2 . . 3.090 2.342 2.167 2.406 . 0 0 "[ . 1 . 2]" 1
1452 1 105 ARG H 1 105 ARG HB3 . . 3.110 2.603 2.549 2.706 . 0 0 "[ . 1 . 2]" 1
1453 1 105 ARG H 1 105 ARG HD2 . . 5.500 5.086 4.913 5.620 0.120 18 0 "[ . 1 . 2]" 1
1454 1 105 ARG H 1 105 ARG HD3 . . 4.820 4.702 4.403 4.813 . 0 0 "[ . 1 . 2]" 1
1455 1 105 ARG H 1 105 ARG HG3 . . 5.130 4.332 4.160 4.390 . 0 0 "[ . 1 . 2]" 1
1456 1 105 ARG H 1 106 ASP QB . . 5.080 4.700 4.522 4.855 . 0 0 "[ . 1 . 2]" 1
1457 1 105 ARG H 1 107 ALA H . . 4.400 3.712 3.687 3.727 . 0 0 "[ . 1 . 2]" 1
1458 1 105 ARG H 1 107 ALA MB . . 4.680 4.369 4.329 4.398 . 0 0 "[ . 1 . 2]" 1
1459 1 105 ARG H 1 121 ILE MG . . 4.180 3.858 3.799 3.907 . 0 0 "[ . 1 . 2]" 1
1460 1 105 ARG HA 1 105 ARG HD2 . . 4.790 4.485 4.419 4.637 . 0 0 "[ . 1 . 2]" 1
1461 1 105 ARG HA 1 105 ARG HD3 . . 5.020 4.532 4.327 4.582 . 0 0 "[ . 1 . 2]" 1
1462 1 105 ARG HA 1 105 ARG HG2 . . 4.200 2.889 2.839 2.940 . 0 0 "[ . 1 . 2]" 1
1463 1 105 ARG HA 1 107 ALA MB . . 5.270 4.944 4.879 4.988 . 0 0 "[ . 1 . 2]" 1
1464 1 105 ARG HA 1 108 LEU H . . 4.260 3.846 3.800 3.979 . 0 0 "[ . 1 . 2]" 1
1465 1 105 ARG HA 1 109 GLN H . . 5.160 4.766 4.693 4.853 . 0 0 "[ . 1 . 2]" 1
1466 1 105 ARG HA 1 121 ILE HB . . 4.650 2.303 2.253 2.380 . 0 0 "[ . 1 . 2]" 1
1467 1 105 ARG HA 1 121 ILE MG . . 3.180 1.872 1.841 1.896 . 0 0 "[ . 1 . 2]" 1
1468 1 105 ARG HB2 1 106 ASP H . . 3.650 3.553 3.408 3.647 . 0 0 "[ . 1 . 2]" 1
1469 1 105 ARG HB2 1 106 ASP QB . . 5.500 5.453 4.984 5.661 0.161 3 0 "[ . 1 . 2]" 1
1470 1 105 ARG HB2 1 121 ILE HB . . 5.210 4.178 4.067 4.350 . 0 0 "[ . 1 . 2]" 1
1471 1 105 ARG HB2 1 121 ILE MG . . 3.770 3.215 3.119 3.382 . 0 0 "[ . 1 . 2]" 1
1472 1 105 ARG HB3 1 105 ARG HD3 . . 3.850 2.346 2.252 2.699 . 0 0 "[ . 1 . 2]" 1
1473 1 105 ARG HB3 1 106 ASP H . . 3.620 2.127 2.030 2.229 . 0 0 "[ . 1 . 2]" 1
1474 1 105 ARG HB3 1 121 ILE MG . . 5.240 4.177 4.143 4.237 . 0 0 "[ . 1 . 2]" 1
1475 1 105 ARG HD2 1 106 ASP H . . 5.500 5.247 5.085 5.644 0.144 16 0 "[ . 1 . 2]" 1
1476 1 105 ARG HD2 1 121 ILE HB . . 5.500 4.831 4.657 5.146 . 0 0 "[ . 1 . 2]" 1
1477 1 105 ARG HD2 1 121 ILE MG . . 4.720 4.114 4.029 4.356 . 0 0 "[ . 1 . 2]" 1
1478 1 105 ARG HD2 1 123 PHE H . . 4.780 3.155 2.511 3.421 . 0 0 "[ . 1 . 2]" 1
1479 1 105 ARG HD2 1 123 PHE QD . . 5.040 3.141 2.613 3.653 . 0 0 "[ . 1 . 2]" 1
1480 1 105 ARG HD3 1 106 ASP H . . 5.360 4.144 3.954 4.723 . 0 0 "[ . 1 . 2]" 1
1481 1 105 ARG HD3 1 121 ILE HB . . 5.500 5.108 4.940 5.337 . 0 0 "[ . 1 . 2]" 1
1482 1 105 ARG HD3 1 121 ILE MG . . 5.230 4.802 4.329 5.044 . 0 0 "[ . 1 . 2]" 1
1483 1 105 ARG HD3 1 123 PHE QD . . 4.710 3.850 3.435 4.658 . 0 0 "[ . 1 . 2]" 1
1484 1 105 ARG HD3 1 123 PHE QE . . 5.180 3.089 2.470 3.977 . 0 0 "[ . 1 . 2]" 1
1485 1 105 ARG HE 1 109 GLN HE21 . . 4.810 4.055 3.348 4.680 . 0 0 "[ . 1 . 2]" 1
1486 1 105 ARG HE 1 109 GLN HE22 . . 5.030 4.903 4.317 5.212 0.182 12 0 "[ . 1 . 2]" 1
1487 1 105 ARG HE 1 121 ILE MG . . 5.400 4.710 4.239 5.439 0.039 1 0 "[ . 1 . 2]" 1
1488 1 105 ARG HE 1 123 PHE H . . 4.420 3.220 2.616 4.181 . 0 0 "[ . 1 . 2]" 1
1489 1 105 ARG HE 1 123 PHE HB2 . . 5.500 5.099 4.452 5.605 0.105 16 0 "[ . 1 . 2]" 1
1490 1 105 ARG HG2 1 106 ASP H . . 4.230 3.575 3.476 3.776 . 0 0 "[ . 1 . 2]" 1
1491 1 105 ARG HG2 1 109 GLN HE21 . . 4.810 3.081 2.851 3.255 . 0 0 "[ . 1 . 2]" 1
1492 1 105 ARG HG2 1 109 GLN HE22 . . 4.880 3.037 2.712 3.366 . 0 0 "[ . 1 . 2]" 1
1493 1 105 ARG HG2 1 121 ILE HB . . 4.560 2.716 2.571 2.932 . 0 0 "[ . 1 . 2]" 1
1494 1 105 ARG HG3 1 106 ASP H . . 5.500 4.602 4.538 4.666 . 0 0 "[ . 1 . 2]" 1
1495 1 105 ARG HG3 1 109 GLN HE21 . . 5.190 3.747 3.515 4.153 . 0 0 "[ . 1 . 2]" 1
1496 1 106 ASP H 1 106 ASP QB . . 3.010 2.338 2.170 2.456 . 0 0 "[ . 1 . 2]" 1
1497 1 106 ASP H 1 107 ALA H . . 3.070 2.644 2.612 2.696 . 0 0 "[ . 1 . 2]" 1
1498 1 106 ASP H 1 107 ALA MB . . 4.410 4.199 4.166 4.262 . 0 0 "[ . 1 . 2]" 1
1499 1 106 ASP H 1 108 LEU H . . 4.710 4.466 4.379 4.513 . 0 0 "[ . 1 . 2]" 1
1500 1 106 ASP HA 1 109 GLN H . . 4.640 3.802 3.635 3.874 . 0 0 "[ . 1 . 2]" 1
1501 1 106 ASP HA 1 109 GLN HB3 . . 5.260 4.197 3.906 4.296 . 0 0 "[ . 1 . 2]" 1
1502 1 106 ASP QB 1 107 ALA H . . 3.270 3.027 3.005 3.066 . 0 0 "[ . 1 . 2]" 1
1503 1 106 ASP QB 1 107 ALA MB . . 4.240 3.809 3.779 3.870 . 0 0 "[ . 1 . 2]" 1
1504 1 106 ASP QB 1 108 LEU H . . 5.500 4.946 4.879 5.006 . 0 0 "[ . 1 . 2]" 1
1505 1 107 ALA H 1 107 ALA MB . . 2.640 2.202 2.191 2.212 . 0 0 "[ . 1 . 2]" 1
1506 1 107 ALA H 1 108 LEU H . . 3.020 2.518 2.478 2.557 . 0 0 "[ . 1 . 2]" 1
1507 1 107 ALA H 1 108 LEU QB . . 4.720 4.367 4.315 4.420 . 0 0 "[ . 1 . 2]" 1
1508 1 107 ALA H 1 121 ILE HB . . 5.220 5.421 5.373 5.455 0.235 8 0 "[ . 1 . 2]" 1
1509 1 107 ALA H 1 121 ILE MG . . 5.750 5.036 4.980 5.084 . 0 0 "[ . 1 . 2]" 1
1510 1 107 ALA MB 1 108 LEU H . . 3.080 2.809 2.764 2.873 . 0 0 "[ . 1 . 2]" 1
1511 1 107 ALA MB 1 108 LEU HG . . 3.700 3.136 3.094 3.208 . 0 0 "[ . 1 . 2]" 1
1512 1 107 ALA MB 1 108 LEU QB . . 3.470 3.609 3.590 3.629 0.159 12 0 "[ . 1 . 2]" 1
1513 1 107 ALA MB 1 108 LEU MD1 . . 4.540 4.218 4.126 4.256 . 0 0 "[ . 1 . 2]" 1
1514 1 107 ALA MB 1 108 LEU MD2 . . 4.240 3.915 3.848 4.179 . 0 0 "[ . 1 . 2]" 1
1515 1 107 ALA MB 1 109 GLN HB2 . . 5.500 5.739 5.683 5.786 0.286 12 0 "[ . 1 . 2]" 1
1516 1 108 LEU H 1 108 LEU HG . . 3.690 3.592 3.552 3.629 . 0 0 "[ . 1 . 2]" 1
1517 1 108 LEU H 1 108 LEU QB . . 2.920 2.374 2.346 2.419 . 0 0 "[ . 1 . 2]" 1
1518 1 108 LEU H 1 108 LEU MD1 . . 4.310 4.322 4.235 4.351 0.041 9 0 "[ . 1 . 2]" 1
1519 1 108 LEU H 1 108 LEU MD2 . . 4.230 4.072 4.044 4.201 . 0 0 "[ . 1 . 2]" 1
1520 1 108 LEU H 1 109 GLN H . . 2.730 2.187 2.123 2.230 . 0 0 "[ . 1 . 2]" 1
1521 1 108 LEU H 1 109 GLN HB2 . . 4.940 3.974 3.907 4.014 . 0 0 "[ . 1 . 2]" 1
1522 1 108 LEU H 1 121 ILE MD . . 4.730 4.137 4.067 4.381 . 0 0 "[ . 1 . 2]" 1
1523 1 108 LEU HA 1 108 LEU MD1 . . 4.030 3.732 3.716 3.779 . 0 0 "[ . 1 . 2]" 1
1524 1 108 LEU HA 1 108 LEU MD2 . . 2.880 1.919 1.903 1.975 . 0 0 "[ . 1 . 2]" 1
1525 1 108 LEU HA 1 111 PHE HB2 . . 5.150 4.079 3.398 4.254 . 0 0 "[ . 1 . 2]" 1
1526 1 108 LEU HA 1 121 ILE MD . . 4.770 4.167 4.136 4.221 . 0 0 "[ . 1 . 2]" 1
1527 1 108 LEU QB 1 108 LEU MD1 . . 3.120 2.061 2.021 2.068 . 0 0 "[ . 1 . 2]" 1
1528 1 108 LEU QB 1 108 LEU MD2 . . 3.020 2.311 2.299 2.335 . 0 0 "[ . 1 . 2]" 1
1529 1 108 LEU QB 1 109 GLN H . . 4.080 3.535 3.518 3.552 . 0 0 "[ . 1 . 2]" 1
1530 1 108 LEU QB 1 111 PHE H . . 5.500 4.102 3.886 4.284 . 0 0 "[ . 1 . 2]" 1
1531 1 108 LEU QB 1 111 PHE HB2 . . 4.570 3.144 2.837 3.322 . 0 0 "[ . 1 . 2]" 1
1532 1 108 LEU QB 1 111 PHE HB3 . . 5.360 4.604 3.965 4.784 . 0 0 "[ . 1 . 2]" 1
1533 1 108 LEU QB 1 121 ILE MD . . 3.030 2.044 2.002 2.069 . 0 0 "[ . 1 . 2]" 1
1534 1 108 LEU MD1 1 111 PHE HB2 . . 5.290 3.636 3.354 3.787 . 0 0 "[ . 1 . 2]" 1
1535 1 108 LEU MD1 1 111 PHE HB3 . . 5.130 4.627 4.358 4.810 . 0 0 "[ . 1 . 2]" 1
1536 1 108 LEU MD1 1 119 MET ME . . 3.790 3.218 2.654 3.392 . 0 0 "[ . 1 . 2]" 1
1537 1 108 LEU MD1 1 121 ILE MD . . 3.760 3.032 2.949 3.082 . 0 0 "[ . 1 . 2]" 1
1538 1 108 LEU MD2 1 109 GLN H . . 5.070 4.639 4.619 4.754 . 0 0 "[ . 1 . 2]" 1
1539 1 108 LEU MD2 1 111 PHE H . . 5.160 4.275 4.235 4.358 . 0 0 "[ . 1 . 2]" 1
1540 1 108 LEU MD2 1 111 PHE HA . . 5.110 3.782 3.664 3.906 . 0 0 "[ . 1 . 2]" 1
1541 1 108 LEU MD2 1 111 PHE HB2 . . 3.850 2.590 2.155 2.722 . 0 0 "[ . 1 . 2]" 1
1542 1 108 LEU MD2 1 111 PHE HB3 . . 4.550 4.007 3.317 4.162 . 0 0 "[ . 1 . 2]" 1
1543 1 108 LEU MD2 1 111 PHE QD . . 3.620 1.993 1.933 2.724 . 0 0 "[ . 1 . 2]" 1
1544 1 108 LEU MD2 1 119 MET QG . . 5.360 5.374 5.053 5.450 0.090 12 0 "[ . 1 . 2]" 1
1545 1 109 GLN H 1 109 GLN HB2 . . 3.310 2.144 2.124 2.175 . 0 0 "[ . 1 . 2]" 1
1546 1 109 GLN H 1 109 GLN HB3 . . 3.170 2.722 2.672 2.742 . 0 0 "[ . 1 . 2]" 1
1547 1 109 GLN H 1 109 GLN HE21 . . 4.620 4.776 4.738 4.828 0.208 12 0 "[ . 1 . 2]" 1
1548 1 109 GLN H 1 109 GLN HG2 . . 4.860 4.483 4.467 4.501 . 0 0 "[ . 1 . 2]" 1
1549 1 109 GLN H 1 109 GLN HG3 . . 4.860 4.483 4.473 4.497 . 0 0 "[ . 1 . 2]" 1
1550 1 109 GLN H 1 110 GLY H . . 4.530 4.382 4.313 4.431 . 0 0 "[ . 1 . 2]" 1
1551 1 109 GLN H 1 121 ILE MD . . 4.470 4.229 4.178 4.478 0.008 13 0 "[ . 1 . 2]" 1
1552 1 109 GLN H 1 121 ILE MG . . 5.500 4.885 4.773 4.925 . 0 0 "[ . 1 . 2]" 1
1553 1 109 GLN HA 1 109 GLN HE21 . . 4.870 3.259 3.179 3.325 . 0 0 "[ . 1 . 2]" 1
1554 1 109 GLN HA 1 110 GLY H . . 2.990 2.171 2.155 2.195 . 0 0 "[ . 1 . 2]" 1
1555 1 109 GLN HA 1 121 ILE H . . 4.680 2.495 2.309 2.701 . 0 0 "[ . 1 . 2]" 1
1556 1 109 GLN HA 1 121 ILE HB . . 5.070 3.646 3.256 3.806 . 0 0 "[ . 1 . 2]" 1
1557 1 109 GLN HA 1 121 ILE MD . . 3.760 3.502 3.439 3.707 . 0 0 "[ . 1 . 2]" 1
1558 1 109 GLN HA 1 121 ILE MG . . 5.130 4.693 4.525 4.769 . 0 0 "[ . 1 . 2]" 1
1559 1 109 GLN HB2 1 109 GLN HE21 . . 4.190 3.519 3.484 3.546 . 0 0 "[ . 1 . 2]" 1
1560 1 109 GLN HB2 1 110 GLY H . . 4.890 4.562 4.539 4.591 . 0 0 "[ . 1 . 2]" 1
1561 1 109 GLN HB2 1 121 ILE HB . . 4.760 4.204 4.106 4.257 . 0 0 "[ . 1 . 2]" 1
1562 1 109 GLN HB3 1 109 GLN HE21 . . 4.820 4.874 4.859 4.895 0.075 9 0 "[ . 1 . 2]" 1
1563 1 109 GLN HB3 1 110 GLY H . . 4.820 4.394 4.373 4.440 . 0 0 "[ . 1 . 2]" 1
1564 1 109 GLN HE21 1 120 LYS HA . . 5.470 4.243 4.044 4.582 . 0 0 "[ . 1 . 2]" 1
1565 1 109 GLN HE21 1 121 ILE H . . 4.240 2.453 2.251 2.850 . 0 0 "[ . 1 . 2]" 1
1566 1 109 GLN HE21 1 121 ILE HB . . 4.070 2.605 2.542 2.704 . 0 0 "[ . 1 . 2]" 1
1567 1 109 GLN HE21 1 122 SER HA . . 5.500 4.089 3.822 4.202 . 0 0 "[ . 1 . 2]" 1
1568 1 109 GLN HE22 1 120 LYS HA . . 5.370 5.011 4.804 5.380 0.010 13 0 "[ . 1 . 2]" 1
1569 1 109 GLN HE22 1 121 ILE H . . 4.110 3.389 3.198 3.735 . 0 0 "[ . 1 . 2]" 1
1570 1 109 GLN HE22 1 121 ILE HB . . 4.090 2.919 2.789 3.076 . 0 0 "[ . 1 . 2]" 1
1571 1 109 GLN HE22 1 121 ILE MG . . 5.320 4.507 4.401 4.636 . 0 0 "[ . 1 . 2]" 1
1572 1 109 GLN HE22 1 122 SER HA . . 5.500 5.404 5.132 5.544 0.044 20 0 "[ . 1 . 2]" 1
1573 1 109 GLN QG 1 110 GLY H . . 4.220 3.576 3.498 3.745 . 0 0 "[ . 1 . 2]" 1
1574 1 109 GLN QG 1 110 GLY HA3 . . 5.340 3.835 3.780 3.937 . 0 0 "[ . 1 . 2]" 1
1575 1 110 GLY H 1 118 ALA MB . . 4.700 4.468 4.271 4.615 . 0 0 "[ . 1 . 2]" 1
1576 1 110 GLY H 1 119 MET QG . . 5.150 4.273 4.112 4.632 . 0 0 "[ . 1 . 2]" 1
1577 1 110 GLY H 1 120 LYS HA . . 4.230 2.256 2.128 2.549 . 0 0 "[ . 1 . 2]" 1
1578 1 110 GLY H 1 120 LYS QG . . 4.930 3.500 3.107 4.827 . 0 0 "[ . 1 . 2]" 1
1579 1 110 GLY H 1 121 ILE H . . 4.700 3.138 2.722 3.502 . 0 0 "[ . 1 . 2]" 1
1580 1 110 GLY H 1 121 ILE MD . . 4.270 3.447 3.372 3.607 . 0 0 "[ . 1 . 2]" 1
1581 1 110 GLY HA2 1 118 ALA MB . . 3.640 2.456 2.286 2.635 . 0 0 "[ . 1 . 2]" 1
1582 1 110 GLY HA2 1 119 MET H . . 5.210 3.945 3.828 4.283 . 0 0 "[ . 1 . 2]" 1
1583 1 110 GLY HA2 1 119 MET QG . . 5.500 5.076 4.872 5.501 0.001 10 0 "[ . 1 . 2]" 1
1584 1 110 GLY HA2 1 120 LYS QG . . 4.020 2.985 2.486 4.192 0.172 16 0 "[ . 1 . 2]" 1
1585 1 110 GLY HA3 1 118 ALA MB . . 3.400 2.957 2.835 3.263 . 0 0 "[ . 1 . 2]" 1
1586 1 110 GLY HA3 1 120 LYS QG . . 5.400 3.992 3.528 5.416 0.016 16 0 "[ . 1 . 2]" 1
1587 1 111 PHE H 1 111 PHE HB2 . . 3.030 2.303 2.265 2.517 . 0 0 "[ . 1 . 2]" 1
1588 1 111 PHE H 1 111 PHE HB3 . . 3.070 2.722 2.469 2.773 . 0 0 "[ . 1 . 2]" 1
1589 1 111 PHE H 1 111 PHE QD . . 4.360 4.189 4.170 4.204 . 0 0 "[ . 1 . 2]" 1
1590 1 111 PHE H 1 112 LYS H . . 4.520 4.485 4.456 4.589 0.069 13 0 "[ . 1 . 2]" 1
1591 1 111 PHE H 1 113 ILE H . . 5.130 5.228 5.131 5.259 0.129 5 0 "[ . 1 . 2]" 1
1592 1 111 PHE H 1 113 ILE MD . . 5.210 4.974 4.774 5.275 0.065 13 0 "[ . 1 . 2]" 1
1593 1 111 PHE H 1 119 MET HB2 . . 4.940 4.008 3.914 4.567 . 0 0 "[ . 1 . 2]" 1
1594 1 111 PHE H 1 119 MET QG . . 4.900 3.886 3.731 4.018 . 0 0 "[ . 1 . 2]" 1
1595 1 111 PHE HA 1 111 PHE QD . . 3.520 2.805 2.259 2.868 . 0 0 "[ . 1 . 2]" 1
1596 1 111 PHE HA 1 112 LYS H . . 2.720 2.196 2.187 2.213 . 0 0 "[ . 1 . 2]" 1
1597 1 111 PHE HA 1 113 ILE H . . 4.960 4.580 4.473 4.721 . 0 0 "[ . 1 . 2]" 1
1598 1 111 PHE HB2 1 112 LYS H . . 4.710 4.533 4.296 4.559 . 0 0 "[ . 1 . 2]" 1
1599 1 111 PHE HB2 1 119 MET HB2 . . 5.040 3.970 3.784 5.093 0.053 13 0 "[ . 1 . 2]" 1
1600 1 111 PHE HB2 1 119 MET ME . . 3.940 3.968 3.670 4.025 0.085 17 0 "[ . 1 . 2]" 1
1601 1 111 PHE HB2 1 119 MET QG . . 4.840 4.251 4.125 4.456 . 0 0 "[ . 1 . 2]" 1
1602 1 111 PHE HB3 1 112 LYS H . . 4.260 4.261 4.188 4.288 0.028 9 0 "[ . 1 . 2]" 1
1603 1 111 PHE HB3 1 113 ILE HG12 . . 5.160 3.608 3.458 4.011 . 0 0 "[ . 1 . 2]" 1
1604 1 111 PHE HB3 1 113 ILE MG . . 5.500 5.076 4.948 5.559 0.059 13 0 "[ . 1 . 2]" 1
1605 1 111 PHE HB3 1 119 MET HB2 . . 5.000 2.746 2.598 3.467 . 0 0 "[ . 1 . 2]" 1
1606 1 111 PHE HB3 1 119 MET ME . . 3.380 3.446 2.997 3.500 0.120 12 0 "[ . 1 . 2]" 1
1607 1 111 PHE HB3 1 119 MET QG . . 4.140 4.031 3.705 4.073 . 0 0 "[ . 1 . 2]" 1
1608 1 111 PHE HB3 1 121 ILE MD . . 5.170 4.301 3.456 4.445 . 0 0 "[ . 1 . 2]" 1
1609 1 111 PHE QD 1 112 LYS H . . 4.650 2.663 2.608 2.959 . 0 0 "[ . 1 . 2]" 1
1610 1 111 PHE QD 1 113 ILE H . . 4.370 3.030 2.909 3.911 . 0 0 "[ . 1 . 2]" 1
1611 1 111 PHE QD 1 113 ILE HB . . 4.470 4.572 4.552 4.595 0.125 15 0 "[ . 1 . 2]" 1
1612 1 111 PHE QD 1 113 ILE HG12 . . 4.530 3.121 2.232 3.250 . 0 0 "[ . 1 . 2]" 1
1613 1 111 PHE QD 1 113 ILE MD . . 4.070 3.622 2.607 3.775 . 0 0 "[ . 1 . 2]" 1
1614 1 111 PHE QD 1 119 MET ME . . 3.910 3.498 2.588 3.682 . 0 0 "[ . 1 . 2]" 1
1615 1 111 PHE QD 1 119 MET QG . . 4.950 5.010 4.569 5.067 0.117 9 0 "[ . 1 . 2]" 1
1616 1 111 PHE QD 1 121 ILE MD . . 4.200 4.243 4.185 4.475 0.275 13 0 "[ . 1 . 2]" 1
1617 1 111 PHE QE 1 113 ILE HA . . 3.580 3.374 3.281 3.654 0.074 13 0 "[ . 1 . 2]" 1
1618 1 111 PHE QE 1 113 ILE HG12 . . 4.400 3.579 2.492 3.719 . 0 0 "[ . 1 . 2]" 1
1619 1 111 PHE QE 1 113 ILE MD . . 4.610 4.488 3.693 4.610 . 0 0 "[ . 1 . 2]" 1
1620 1 111 PHE QE 1 119 MET ME . . 5.500 4.663 4.219 4.839 . 0 0 "[ . 1 . 2]" 1
1621 1 112 LYS H 1 112 LYS HB2 . . 3.680 3.573 3.550 3.609 . 0 0 "[ . 1 . 2]" 1
1622 1 112 LYS H 1 112 LYS HB3 . . 3.390 2.739 2.673 2.946 . 0 0 "[ . 1 . 2]" 1
1623 1 112 LYS H 1 112 LYS HG2 . . 3.810 2.090 1.879 3.320 . 0 0 "[ . 1 . 2]" 1
1624 1 112 LYS H 1 112 LYS HG3 . . 3.810 2.787 1.715 3.684 . 0 0 "[ . 1 . 2]" 1
1625 1 112 LYS H 1 112 LYS QG . . 3.260 1.971 1.709 2.631 . 0 0 "[ . 1 . 2]" 1
1626 1 112 LYS H 1 113 ILE HA . . 5.190 5.103 5.036 5.138 . 0 0 "[ . 1 . 2]" 1
1627 1 112 LYS H 1 119 MET H . . 5.070 4.874 4.824 5.036 . 0 0 "[ . 1 . 2]" 1
1628 1 112 LYS HA 1 112 LYS HG2 . . 4.210 3.792 3.702 4.205 . 0 0 "[ . 1 . 2]" 1
1629 1 112 LYS HA 1 112 LYS HG3 . . 4.210 3.800 3.630 4.233 0.023 11 0 "[ . 1 . 2]" 1
1630 1 112 LYS HA 1 112 LYS QD . . 4.700 4.272 3.740 4.607 . 0 0 "[ . 1 . 2]" 1
1631 1 112 LYS HA 1 112 LYS QG . . 3.610 3.371 3.328 3.491 . 0 0 "[ . 1 . 2]" 1
1632 1 112 LYS HA 1 113 ILE H . . 2.960 2.484 2.374 2.528 . 0 0 "[ . 1 . 2]" 1
1633 1 112 LYS HA 1 113 ILE HB . . 5.500 4.658 4.493 4.788 . 0 0 "[ . 1 . 2]" 1
1634 1 112 LYS HA 1 118 ALA MB . . 3.610 3.305 2.980 3.490 . 0 0 "[ . 1 . 2]" 1
1635 1 112 LYS HB2 1 113 ILE HA . . 5.240 5.192 5.111 5.271 0.031 11 0 "[ . 1 . 2]" 1
1636 1 112 LYS HB3 1 113 ILE H . . 5.010 4.651 4.495 4.698 . 0 0 "[ . 1 . 2]" 1
1637 1 112 LYS HB3 1 118 ALA MB . . 4.230 4.024 3.742 4.319 0.089 13 0 "[ . 1 . 2]" 1
1638 1 112 LYS HG2 1 113 ILE H . . 5.500 5.086 4.515 5.893 0.393 7 0 "[ . 1 . 2]" 1
1639 1 112 LYS HG3 1 113 ILE H . . 5.500 4.748 4.438 5.727 0.227 19 0 "[ . 1 . 2]" 1
1640 1 112 LYS QD 1 113 ILE HA . . 5.740 5.785 4.100 6.027 0.287 20 0 "[ . 1 . 2]" 1
1641 1 112 LYS QE 1 112 LYS QG . . 3.410 2.361 2.093 2.879 . 0 0 "[ . 1 . 2]" 1
1642 1 112 LYS QG 1 113 ILE H . . 4.640 4.301 4.188 4.742 0.102 7 0 "[ . 1 . 2]" 1
1643 1 113 ILE H 1 113 ILE HB . . 2.930 2.371 2.335 2.474 . 0 0 "[ . 1 . 2]" 1
1644 1 113 ILE H 1 113 ILE HG13 . . 4.490 2.162 2.093 2.203 . 0 0 "[ . 1 . 2]" 1
1645 1 113 ILE H 1 113 ILE MD . . 3.980 3.544 3.466 3.690 . 0 0 "[ . 1 . 2]" 1
1646 1 113 ILE H 1 113 ILE MG . . 3.770 3.738 3.725 3.770 . 0 0 "[ . 1 . 2]" 1
1647 1 113 ILE H 1 114 THR H . . 3.030 2.654 2.570 2.708 . 0 0 "[ . 1 . 2]" 1
1648 1 113 ILE H 1 118 ALA MB . . 5.090 4.532 4.173 4.712 . 0 0 "[ . 1 . 2]" 1
1649 1 113 ILE H 1 119 MET H . . 3.800 3.187 2.780 3.272 . 0 0 "[ . 1 . 2]" 1
1650 1 113 ILE HA 1 113 ILE HG12 . . 3.740 2.456 2.391 2.519 . 0 0 "[ . 1 . 2]" 1
1651 1 113 ILE HA 1 113 ILE MD . . 3.960 3.815 3.781 3.845 . 0 0 "[ . 1 . 2]" 1
1652 1 113 ILE HA 1 113 ILE MG . . 3.130 2.494 2.423 2.531 . 0 0 "[ . 1 . 2]" 1
1653 1 113 ILE HB 1 113 ILE HG13 . . 2.930 2.470 2.430 2.492 . 0 0 "[ . 1 . 2]" 1
1654 1 113 ILE HB 1 113 ILE MD . . 2.650 2.389 2.331 2.438 . 0 0 "[ . 1 . 2]" 1
1655 1 113 ILE HB 1 114 THR H . . 3.640 2.906 2.721 2.978 . 0 0 "[ . 1 . 2]" 1
1656 1 113 ILE HB 1 114 THR HB . . 5.500 4.371 3.856 4.705 . 0 0 "[ . 1 . 2]" 1
1657 1 113 ILE HB 1 117 ASN HB2 . . 5.450 3.642 3.386 4.659 . 0 0 "[ . 1 . 2]" 1
1658 1 113 ILE HB 1 117 ASN HB3 . . 5.290 4.308 4.050 4.586 . 0 0 "[ . 1 . 2]" 1
1659 1 113 ILE HB 1 119 MET HB2 . . 4.930 4.354 3.777 4.498 . 0 0 "[ . 1 . 2]" 1
1660 1 113 ILE HG12 1 119 MET ME . . 4.120 4.037 3.886 4.133 0.013 17 0 "[ . 1 . 2]" 1
1661 1 113 ILE MD 1 114 THR H . . 4.970 4.827 4.721 4.911 . 0 0 "[ . 1 . 2]" 1
1662 1 113 ILE MD 1 119 MET H . . 5.050 3.451 3.225 3.667 . 0 0 "[ . 1 . 2]" 1
1663 1 113 ILE MD 1 119 MET HB2 . . 4.350 2.232 1.986 2.303 . 0 0 "[ . 1 . 2]" 1
1664 1 113 ILE MD 1 119 MET ME . . 2.450 1.901 1.849 2.293 . 0 0 "[ . 1 . 2]" 1
1665 1 113 ILE MD 1 119 MET QG . . 3.760 3.556 3.456 3.619 . 0 0 "[ . 1 . 2]" 1
1666 1 113 ILE HG12 1 113 ILE MG . . 2.730 2.394 2.357 2.428 . 0 0 "[ . 1 . 2]" 1
1667 1 113 ILE MG 1 114 THR H . . 3.920 3.588 3.505 3.677 . 0 0 "[ . 1 . 2]" 1
1668 1 113 ILE MG 1 117 ASN HB2 . . 5.110 4.310 4.110 5.002 . 0 0 "[ . 1 . 2]" 1
1669 1 113 ILE MG 1 117 ASN HB3 . . 5.500 5.046 4.840 5.434 . 0 0 "[ . 1 . 2]" 1
1670 1 114 THR H 1 114 THR MG . . 3.990 3.001 2.480 3.927 . 0 0 "[ . 1 . 2]" 1
1671 1 114 THR H 1 117 ASN HB2 . . 4.210 3.284 2.945 4.258 0.048 19 0 "[ . 1 . 2]" 1
1672 1 114 THR H 1 117 ASN HB3 . . 4.630 4.683 4.422 4.794 0.164 10 0 "[ . 1 . 2]" 1
1673 1 114 THR HB 1 117 ASN HB2 . . 5.500 3.800 2.057 4.678 . 0 0 "[ . 1 . 2]" 1
1674 1 114 THR MG 1 115 GLN H . . 5.020 2.684 2.037 3.369 . 0 0 "[ . 1 . 2]" 1
1675 1 114 THR MG 1 115 GLN QB . . 4.870 3.944 3.232 4.881 0.011 7 0 "[ . 1 . 2]" 1
1676 1 114 THR MG 1 115 GLN QG . . 4.030 3.915 3.365 4.164 0.134 1 0 "[ . 1 . 2]" 1
1677 1 114 THR MG 1 116 ASN H . . 4.420 1.856 1.678 2.109 . 0 0 "[ . 1 . 2]" 1
1678 1 114 THR MG 1 117 ASN H . . 4.950 2.793 2.065 3.482 . 0 0 "[ . 1 . 2]" 1
1679 1 114 THR MG 1 117 ASN HB2 . . 3.820 2.501 1.984 3.625 . 0 0 "[ . 1 . 2]" 1
1680 1 114 THR MG 1 117 ASN HB3 . . 4.870 3.910 3.164 4.860 . 0 0 "[ . 1 . 2]" 1
1681 1 115 GLN H 1 115 GLN QG . . 4.360 1.936 1.822 2.096 . 0 0 "[ . 1 . 2]" 1
1682 1 115 GLN HA 1 115 GLN QG . . 3.440 2.796 2.365 3.474 0.034 19 0 "[ . 1 . 2]" 1
1683 1 115 GLN QB 1 115 GLN QG . . 2.440 2.080 2.017 2.121 . 0 0 "[ . 1 . 2]" 1
1684 1 115 GLN QB 1 116 ASN H . . 4.410 3.236 2.929 3.879 . 0 0 "[ . 1 . 2]" 1
1685 1 115 GLN QB 1 117 ASN H . . 4.850 4.842 4.728 5.054 0.204 3 0 "[ . 1 . 2]" 1
1686 1 115 GLN QG 1 116 ASN H . . 5.070 3.910 2.740 4.295 . 0 0 "[ . 1 . 2]" 1
1687 1 116 ASN H 1 116 ASN QD . . 4.920 3.959 3.464 4.598 . 0 0 "[ . 1 . 2]" 1
1688 1 116 ASN H 1 117 ASN H . . 3.540 2.328 2.193 2.505 . 0 0 "[ . 1 . 2]" 1
1689 1 116 ASN H 1 117 ASN QD . . 4.850 4.939 4.251 5.060 0.210 12 0 "[ . 1 . 2]" 1
1690 1 116 ASN HA 1 116 ASN QD . . 4.170 3.455 1.901 4.203 0.033 18 0 "[ . 1 . 2]" 1
1691 1 116 ASN QB 1 116 ASN QD . . 3.020 2.251 2.117 2.732 . 0 0 "[ . 1 . 2]" 1
1692 1 117 ASN H 1 117 ASN HB2 . . 3.580 2.841 2.781 2.918 . 0 0 "[ . 1 . 2]" 1
1693 1 117 ASN H 1 117 ASN QD . . 5.040 4.316 4.016 4.490 . 0 0 "[ . 1 . 2]" 1
1694 1 117 ASN H 1 118 ALA H . . 4.240 4.270 3.927 4.313 0.073 12 0 "[ . 1 . 2]" 1
1695 1 117 ASN H 1 118 ALA MB . . 5.460 4.517 4.436 4.607 . 0 0 "[ . 1 . 2]" 1
1696 1 117 ASN HA 1 117 ASN QD . . 4.430 2.676 2.349 3.886 . 0 0 "[ . 1 . 2]" 1
1697 1 117 ASN HA 1 118 ALA H . . 2.780 2.153 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
1698 1 117 ASN HB2 1 118 ALA H . . 4.550 4.164 4.031 4.521 . 0 0 "[ . 1 . 2]" 1
1699 1 117 ASN HB3 1 117 ASN HD22 . . 3.760 2.523 2.299 3.267 . 0 0 "[ . 1 . 2]" 1
1700 1 117 ASN HB3 1 118 ALA H . . 4.120 3.298 3.158 3.748 . 0 0 "[ . 1 . 2]" 1
1701 1 118 ALA H 1 118 ALA MB . . 2.910 2.495 2.301 2.516 . 0 0 "[ . 1 . 2]" 1
1702 1 118 ALA H 1 119 MET H . . 4.430 4.049 3.948 4.417 . 0 0 "[ . 1 . 2]" 1
1703 1 118 ALA H 1 120 LYS H . . 5.480 5.118 5.006 5.420 . 0 0 "[ . 1 . 2]" 1
1704 1 118 ALA H 1 120 LYS QD . . 4.490 4.441 4.234 4.590 0.100 16 0 "[ . 1 . 2]" 1
1705 1 118 ALA HA 1 120 LYS QD . . 5.500 5.539 5.072 5.709 0.209 8 0 "[ . 1 . 2]" 1
1706 1 118 ALA MB 1 119 MET H . . 3.570 3.516 3.374 3.579 0.009 20 0 "[ . 1 . 2]" 1
1707 1 118 ALA MB 1 119 MET HB3 . . 5.330 5.125 5.018 5.205 . 0 0 "[ . 1 . 2]" 1
1708 1 118 ALA MB 1 120 LYS QD . . 3.320 3.376 3.117 3.462 0.142 18 0 "[ . 1 . 2]" 1
1709 1 119 MET H 1 119 MET HB2 . . 3.600 2.521 2.478 2.650 . 0 0 "[ . 1 . 2]" 1
1710 1 119 MET H 1 119 MET HB3 . . 3.630 2.554 2.470 2.609 . 0 0 "[ . 1 . 2]" 1
1711 1 119 MET H 1 119 MET ME . . 4.750 4.647 4.567 4.706 . 0 0 "[ . 1 . 2]" 1
1712 1 119 MET H 1 119 MET QG . . 4.120 3.962 3.948 3.974 . 0 0 "[ . 1 . 2]" 1
1713 1 119 MET H 1 120 LYS H . . 4.290 4.377 4.322 4.437 0.147 3 0 "[ . 1 . 2]" 1
1714 1 119 MET HA 1 119 MET QG . . 3.560 2.471 2.226 2.555 . 0 0 "[ . 1 . 2]" 1
1715 1 119 MET HA 1 120 LYS H . . 2.630 2.209 2.109 2.277 . 0 0 "[ . 1 . 2]" 1
1716 1 119 MET HB2 1 119 MET ME . . 2.850 2.600 2.520 3.030 0.180 13 0 "[ . 1 . 2]" 1
1717 1 119 MET HB2 1 120 LYS H . . 4.820 4.515 4.375 4.570 . 0 0 "[ . 1 . 2]" 1
1718 1 119 MET HB3 1 120 LYS H . . 4.560 4.428 4.359 4.470 . 0 0 "[ . 1 . 2]" 1
1719 1 119 MET ME 1 121 ILE MD . . 4.030 3.436 2.201 3.523 . 0 0 "[ . 1 . 2]" 1
1720 1 119 MET ME 1 119 MET QG . . 3.160 2.317 2.273 2.341 . 0 0 "[ . 1 . 2]" 1
1721 1 119 MET QG 1 120 LYS H . . 3.700 3.183 2.941 3.280 . 0 0 "[ . 1 . 2]" 1
1722 1 119 MET QG 1 120 LYS HA . . 4.980 3.965 3.830 4.092 . 0 0 "[ . 1 . 2]" 1
1723 1 119 MET QG 1 121 ILE H . . 5.170 4.310 4.124 4.542 . 0 0 "[ . 1 . 2]" 1
1724 1 119 MET QG 1 121 ILE MD . . 3.670 1.965 1.864 2.000 . 0 0 "[ . 1 . 2]" 1
1725 1 119 MET QG 1 121 ILE MG . . 4.440 4.127 4.076 4.172 . 0 0 "[ . 1 . 2]" 1
1726 1 120 LYS H 1 120 LYS HB2 . . 3.850 2.252 2.074 2.637 . 0 0 "[ . 1 . 2]" 1
1727 1 120 LYS H 1 120 LYS HB3 . . 3.770 3.527 3.418 3.632 . 0 0 "[ . 1 . 2]" 1
1728 1 120 LYS H 1 120 LYS HG3 . . 4.000 3.185 2.826 3.695 . 0 0 "[ . 1 . 2]" 1
1729 1 120 LYS H 1 120 LYS QD . . 4.680 3.170 2.334 3.507 . 0 0 "[ . 1 . 2]" 1
1730 1 120 LYS H 1 120 LYS QG . . 4.510 2.947 1.932 3.494 . 0 0 "[ . 1 . 2]" 1
1731 1 120 LYS H 1 121 ILE H . . 4.750 4.547 4.456 4.666 . 0 0 "[ . 1 . 2]" 1
1732 1 120 LYS HA 1 120 LYS QD . . 4.180 3.642 2.325 3.994 . 0 0 "[ . 1 . 2]" 1
1733 1 120 LYS HA 1 121 ILE H . . 3.030 2.171 2.111 2.291 . 0 0 "[ . 1 . 2]" 1
1734 1 120 LYS HA 1 121 ILE MD . . 4.650 3.566 3.449 3.668 . 0 0 "[ . 1 . 2]" 1
1735 1 120 LYS HB2 1 121 ILE H . . 4.630 4.325 3.827 4.548 . 0 0 "[ . 1 . 2]" 1
1736 1 120 LYS HB3 1 121 ILE H . . 4.620 3.332 2.882 3.685 . 0 0 "[ . 1 . 2]" 1
1737 1 120 LYS QD 1 121 ILE H . . 5.500 5.357 4.363 5.627 0.127 10 0 "[ . 1 . 2]" 1
1738 1 120 LYS QG 1 121 ILE H . . 4.610 3.877 3.723 4.696 0.086 16 0 "[ . 1 . 2]" 1
1739 1 121 ILE H 1 121 ILE HB . . 3.480 2.898 2.845 2.978 . 0 0 "[ . 1 . 2]" 1
1740 1 121 ILE H 1 121 ILE MD . . 3.980 2.952 2.775 3.213 . 0 0 "[ . 1 . 2]" 1
1741 1 121 ILE H 1 121 ILE MG . . 3.860 3.816 3.757 3.904 0.044 16 0 "[ . 1 . 2]" 1
1742 1 121 ILE HA 1 121 ILE MD . . 4.080 2.448 2.420 2.523 . 0 0 "[ . 1 . 2]" 1
1743 1 121 ILE HA 1 121 ILE MG . . 3.200 2.090 2.071 2.135 . 0 0 "[ . 1 . 2]" 1
1744 1 121 ILE HB 1 121 ILE MD . . 3.350 3.238 3.227 3.256 . 0 0 "[ . 1 . 2]" 1
1745 1 121 ILE HB 1 122 SER HA . . 4.710 4.298 4.235 4.363 . 0 0 "[ . 1 . 2]" 1
1746 1 121 ILE MD 1 122 SER H . . 4.910 4.271 4.236 4.335 . 0 0 "[ . 1 . 2]" 1
1747 1 121 ILE MD 1 121 ILE MG . . 2.620 2.041 2.017 2.084 . 0 0 "[ . 1 . 2]" 1
1748 1 121 ILE MG 1 122 SER H . . 3.390 2.452 2.386 2.518 . 0 0 "[ . 1 . 2]" 1
1749 1 121 ILE MG 1 122 SER QB . . 5.290 4.514 4.387 4.627 . 0 0 "[ . 1 . 2]" 1
1750 1 122 SER H 1 122 SER HB2 . . 3.940 3.081 2.853 3.411 . 0 0 "[ . 1 . 2]" 1
1751 1 122 SER H 1 122 SER HB3 . . 3.940 3.515 2.895 3.927 . 0 0 "[ . 1 . 2]" 1
1752 1 122 SER H 1 122 SER QB . . 3.390 2.784 2.743 2.818 . 0 0 "[ . 1 . 2]" 1
1753 1 122 SER H 1 124 ALA H . . 5.500 5.581 5.483 5.642 0.142 12 0 "[ . 1 . 2]" 1
1754 1 122 SER HA 1 123 PHE H . . 3.170 2.463 2.424 2.506 . 0 0 "[ . 1 . 2]" 1
1755 1 122 SER HB2 1 123 PHE H . . 4.100 3.806 3.647 3.984 . 0 0 "[ . 1 . 2]" 1
1756 1 122 SER HB3 1 123 PHE H . . 4.100 3.017 2.497 3.787 . 0 0 "[ . 1 . 2]" 1
1757 1 122 SER QB 1 123 PHE H . . 3.490 2.866 2.459 3.454 . 0 0 "[ . 1 . 2]" 1
1758 1 123 PHE H 1 123 PHE HB2 . . 3.890 2.318 2.253 2.362 . 0 0 "[ . 1 . 2]" 1
1759 1 123 PHE H 1 123 PHE HB3 . . 3.550 3.571 3.541 3.587 0.037 17 0 "[ . 1 . 2]" 1
1760 1 123 PHE H 1 123 PHE QD . . 3.930 2.719 2.438 3.314 . 0 0 "[ . 1 . 2]" 1
1761 1 123 PHE H 1 124 ALA H . . 4.510 4.573 4.550 4.592 0.082 12 0 "[ . 1 . 2]" 1
1762 1 123 PHE HA 1 123 PHE QD . . 3.160 2.666 2.152 2.892 . 0 0 "[ . 1 . 2]" 1
1763 1 123 PHE HA 1 123 PHE QE . . 4.570 4.499 4.309 4.601 0.031 14 0 "[ . 1 . 2]" 1
1764 1 123 PHE HA 1 124 ALA H . . 3.040 2.165 2.132 2.195 . 0 0 "[ . 1 . 2]" 1
1765 1 123 PHE HA 1 124 ALA MB . . 4.070 3.957 3.897 4.013 . 0 0 "[ . 1 . 2]" 1
1766 1 123 PHE HB2 1 124 ALA H . . 4.790 4.310 4.233 4.389 . 0 0 "[ . 1 . 2]" 1
1767 1 123 PHE HB3 1 124 ALA H . . 4.540 3.304 3.169 3.392 . 0 0 "[ . 1 . 2]" 1
1768 1 123 PHE QD 1 124 ALA H . . 4.040 3.765 3.427 4.004 . 0 0 "[ . 1 . 2]" 1
1769 1 124 ALA H 1 124 ALA MB . . 2.860 2.172 2.144 2.194 . 0 0 "[ . 1 . 2]" 1
1770 1 124 ALA H 1 125 LYS H . . 4.710 4.624 4.538 4.690 . 0 0 "[ . 1 . 2]" 1
1771 1 124 ALA HA 1 125 LYS H . . 3.460 2.500 2.315 2.601 . 0 0 "[ . 1 . 2]" 1
1772 1 124 ALA HA 1 125 LYS QB . . 5.420 4.144 3.958 4.448 . 0 0 "[ . 1 . 2]" 1
1773 1 124 ALA MB 1 125 LYS H . . 3.750 2.350 2.099 2.852 . 0 0 "[ . 1 . 2]" 1
1774 1 125 LYS H 1 125 LYS QG . . 5.090 3.817 2.279 4.176 . 0 0 "[ . 1 . 2]" 1
1775 1 125 LYS H 1 126 LYS H . . 4.650 4.368 4.206 4.577 . 0 0 "[ . 1 . 2]" 1
1776 1 125 LYS HA 1 125 LYS QD . . 4.220 3.648 2.141 4.419 0.199 1 0 "[ . 1 . 2]" 1
1777 1 125 LYS HA 1 125 LYS QG . . 3.980 2.546 2.217 3.503 . 0 0 "[ . 1 . 2]" 1
1778 1 125 LYS HA 1 126 LYS H . . 2.870 2.161 2.128 2.250 . 0 0 "[ . 1 . 2]" 1
1779 1 125 LYS QD 1 126 LYS H . . 5.120 4.278 2.311 5.176 0.056 1 0 "[ . 1 . 2]" 1
1780 1 125 LYS QE 1 126 LYS H . . 5.500 4.797 3.672 5.528 0.028 10 0 "[ . 1 . 2]" 1
1781 1 125 LYS QG 1 126 LYS H . . 4.110 3.130 2.413 4.243 0.133 6 0 "[ . 1 . 2]" 1
1782 1 126 LYS H 1 126 LYS QB . . 3.020 2.362 2.117 2.603 . 0 0 "[ . 1 . 2]" 1
1783 1 126 LYS H 1 126 LYS QD . . 5.500 4.121 3.445 4.662 . 0 0 "[ . 1 . 2]" 1
1784 1 126 LYS H 1 126 LYS QG . . 4.620 3.038 1.805 4.022 . 0 0 "[ . 1 . 2]" 1
1785 1 126 LYS QB 1 126 LYS QD . . 2.430 2.258 2.093 2.505 0.075 6 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 1186
_Distance_constraint_stats_list.Viol_total 15696.396
_Distance_constraint_stats_list.Viol_max 1.507
_Distance_constraint_stats_list.Viol_rms 0.2970
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6540
_Distance_constraint_stats_list.Viol_average_violations_only 0.6617
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 54 LEU 50.973 0.998 12 20 [***********+-*******]
1 56 LEU 38.954 1.001 20 20 [****************-**+]
1 58 ASN 22.578 0.766 10 20 [*********+**-*******]
1 64 ASN 48.630 0.833 9 20 [*******-+***********]
1 65 GLU 17.919 0.702 9 20 [*****-**+***********]
1 66 LEU 33.890 1.052 6 20 [*****+***-**********]
1 67 MET 57.494 0.883 12 20 [***-*******+********]
1 68 LEU 93.683 1.060 1 20 [+******-************]
1 69 SER 56.419 0.945 10 20 [*****-***+**********]
1 70 MET 64.125 1.052 6 20 [*****+******-*******]
1 71 LEU 68.553 1.060 1 20 [+**-****************]
1 72 PHE 90.310 0.945 10 20 [-********+**********]
1 73 ASN 5.733 0.283 5 0 "[ . 1 . 2]"
1 74 GLN 30.236 0.946 12 20 [***********+-*******]
1 75 PHE 23.550 0.847 12 20 [***-*******+********]
1 79 LYS 24.987 0.866 8 20 [*******+***-********]
1 80 GLU 43.548 1.060 8 20 [**-****+************]
1 82 ARG 20.733 0.607 3 4 "[ + .* 1* - . 2]"
1 89 ASP 22.578 0.766 10 20 [*********+**-*******]
1 91 ALA 38.954 1.001 20 20 [****************-**+]
1 92 PHE 20.733 0.607 3 4 "[ + .* 1* - . 2]"
1 93 VAL 50.973 0.998 12 20 [***********+-*******]
1 94 GLU 68.535 1.060 8 20 [**-****+************]
1 100 GLN 30.918 0.959 6 20 [*****+******-*******]
1 101 ALA 53.037 0.777 15 20 [********-*****+*****]
1 102 GLY 51.322 1.507 10 20 [*********+**-*******]
1 103 ALA 35.344 0.977 4 20 [***+********-*******]
1 104 ALA 105.294 0.959 6 20 [***-*+**************]
1 105 ARG 95.816 1.087 5 20 [****+***-***********]
1 106 ASP 51.322 1.507 10 20 [*********+**-*******]
1 107 ALA 63.551 0.977 4 20 [***+**************-*]
1 108 LEU 55.344 1.087 5 20 [***-+***************]
1 109 GLN 33.604 0.890 12 20 [***********+-*******]
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 54 LEU N 1 93 VAL O . . 2.400 3.109 3.048 3.204 0.804 4 20 [***+***************-] 2
2 1 54 LEU H 1 93 VAL O . . 1.800 2.110 2.045 2.210 0.410 4 0 "[ . 1 . 2]" 2
3 1 54 LEU O 1 93 VAL N . . 2.400 3.311 3.257 3.398 0.998 12 20 [***********+-*******] 2
4 1 54 LEU O 1 93 VAL H . . 1.800 2.418 2.354 2.517 0.717 12 20 [***********+-*******] 2
5 1 56 LEU N 1 91 ALA O . . 2.400 2.791 2.772 2.812 0.412 2 0 "[ . 1 . 2]" 2
6 1 56 LEU H 1 91 ALA O . . 1.800 1.805 1.786 1.835 0.035 5 0 "[ . 1 . 2]" 2
7 1 56 LEU O 1 91 ALA N . . 2.400 3.343 3.235 3.401 1.001 20 20 [************-******+] 2
8 1 56 LEU O 1 91 ALA H . . 1.800 2.405 2.293 2.468 0.668 20 19 "[************ ***-**+]" 2
9 1 58 ASN N 1 89 ASP O . . 2.400 2.832 2.791 2.930 0.530 10 2 "[ . + - . 2]" 2
10 1 58 ASN H 1 89 ASP O . . 1.800 2.497 2.469 2.566 0.766 10 20 [*******-*+**********] 2
11 1 79 LYS N 1 94 GLU O . . 2.400 3.222 3.145 3.266 0.866 8 20 [*******+***-********] 2
12 1 79 LYS H 1 94 GLU O . . 1.800 2.228 2.157 2.267 0.467 8 0 "[ . 1 . 2]" 2
13 1 80 GLU N 1 94 GLU O . . 2.400 3.431 3.398 3.460 1.060 8 20 [**-****+************] 2
14 1 80 GLU H 1 94 GLU O . . 1.800 2.490 2.455 2.545 0.745 8 20 [**-****+************] 2
15 1 80 GLU O 1 94 GLU N . . 2.400 2.814 2.766 2.843 0.443 19 0 "[ . 1 . 2]" 2
16 1 80 GLU O 1 94 GLU H . . 1.800 1.842 1.795 1.876 0.076 19 0 "[ . 1 . 2]" 2
17 1 82 ARG O 1 92 PHE N . . 2.400 2.826 2.711 3.007 0.607 3 4 "[ + .* 1* - . 2]" 2
18 1 82 ARG O 1 92 PHE H . . 1.800 1.985 1.909 2.237 0.437 3 0 "[ . 1 . 2]" 2
19 1 82 ARG N 1 92 PHE O . . 2.400 2.807 2.769 2.860 0.460 6 0 "[ . 1 . 2]" 2
20 1 82 ARG H 1 92 PHE O . . 1.800 1.818 1.795 1.855 0.055 6 0 "[ . 1 . 2]" 2
21 1 64 ASN O 1 67 MET N . . 2.400 3.197 3.162 3.233 0.833 9 20 [*******-+***********] 2
22 1 64 ASN O 1 67 MET H . . 1.800 2.518 2.478 2.548 0.748 3 20 [**+*********-*******] 2
23 1 64 ASN O 1 68 LEU N . . 2.400 3.058 3.007 3.149 0.749 10 20 [*******-*+**********] 2
24 1 64 ASN O 1 68 LEU H . . 1.800 2.059 2.012 2.154 0.354 10 0 "[ . 1 . 2]" 2
25 1 65 GLU O 1 69 SER N . . 2.400 3.002 2.944 3.102 0.702 9 20 [*****-**+***********] 2
26 1 65 GLU O 1 69 SER H . . 1.800 2.094 2.015 2.203 0.403 9 0 "[ . 1 . 2]" 2
27 1 66 LEU O 1 70 MET N . . 2.400 3.389 3.300 3.452 1.052 6 20 [*****+***-**********] 2
28 1 66 LEU O 1 70 MET H . . 1.800 2.506 2.435 2.565 0.765 6 20 [*****+***-**********] 2
29 1 67 MET O 1 71 LEU N . . 2.400 3.248 3.194 3.283 0.883 12 20 [****-******+********] 2
30 1 67 MET O 1 71 LEU H . . 1.800 2.312 2.258 2.340 0.540 13 17 "[***-.****1 *+*******]" 2
31 1 68 LEU O 1 72 PHE N . . 2.400 3.324 3.305 3.341 0.941 8 20 [*******+***********-] 2
32 1 68 LEU O 1 72 PHE H . . 1.800 2.576 2.556 2.600 0.800 18 20 [****-************+**] 2
33 1 69 SER O 1 73 ASN N . . 2.400 2.668 2.639 2.683 0.283 5 0 "[ . 1 . 2]" 2
34 1 69 SER O 1 73 ASN H . . 1.800 1.819 1.796 1.853 0.053 11 0 "[ . 1 . 2]" 2
35 1 70 MET O 1 74 GLN N . . 2.400 3.263 3.198 3.346 0.946 12 20 [***********+-*******] 2
36 1 70 MET O 1 74 GLN H . . 1.800 2.449 2.400 2.521 0.721 12 20 [***********+-*******] 2
37 1 68 LEU O 1 71 LEU N . . 2.400 3.449 3.422 3.460 1.060 1 20 [+***********-*******] 2
38 1 68 LEU O 1 71 LEU H . . 1.800 2.818 2.787 2.839 1.039 12 20 [***********+-*******] 2
39 1 72 PHE O 1 75 PHE N . . 2.400 3.168 3.091 3.247 0.847 12 20 [***-*******+********] 2
40 1 72 PHE O 1 75 PHE H . . 1.800 2.209 2.127 2.282 0.482 12 0 "[ . 1 . 2]" 2
41 1 69 SER O 1 72 PHE N . . 2.400 3.322 3.286 3.345 0.945 10 20 [-********+**********] 2
42 1 69 SER O 1 72 PHE H . . 1.800 2.516 2.476 2.539 0.739 10 20 [-********+**********] 2
43 1 105 ARG O 1 109 GLN N . . 2.400 3.256 3.088 3.290 0.890 12 20 [***********+-*******] 2
44 1 105 ARG O 1 109 GLN H . . 1.800 2.624 2.521 2.656 0.856 19 20 [************-*****+*] 2
45 1 104 ALA O 1 108 LEU N . . 2.400 2.951 2.903 3.139 0.739 12 20 [***-*******+********] 2
46 1 104 ALA O 1 108 LEU H . . 1.800 2.176 2.113 2.409 0.609 12 1 "[ . 1 + . 2]" 2
47 1 105 ARG O 1 108 LEU N . . 2.400 3.463 3.429 3.487 1.087 5 20 [****+-**************] 2
48 1 105 ARG O 1 108 LEU H . . 1.800 2.578 2.537 2.613 0.813 10 20 [*********+*-********] 2
49 1 104 ALA O 1 107 ALA N . . 2.400 3.144 3.118 3.244 0.844 12 20 [***********+*******-] 2
50 1 104 ALA O 1 107 ALA H . . 1.800 2.466 2.446 2.550 0.750 12 20 [***********+******-*] 2
51 1 103 ALA O 1 107 ALA N . . 2.400 3.343 3.294 3.377 0.977 4 20 [***+********-*******] 2
52 1 103 ALA O 1 107 ALA H . . 1.800 2.624 2.587 2.659 0.859 4 20 [***+********-*******] 2
53 1 102 GLY O 1 106 ASP N . . 2.400 3.872 3.848 3.907 1.507 10 20 [*********+*-********] 2
54 1 102 GLY O 1 106 ASP H . . 1.800 2.894 2.870 2.931 1.131 10 20 [*********+**-*******] 2
55 1 101 ALA O 1 105 ARG N . . 2.400 3.130 3.063 3.177 0.777 15 20 [************-*+*****] 2
56 1 101 ALA O 1 105 ARG H . . 1.800 2.340 2.263 2.404 0.604 12 19 "[********-**+ *******]" 2
57 1 101 ALA O 1 104 ALA N . . 2.400 3.120 3.088 3.146 0.746 17 20 [******-*********+***] 2
58 1 101 ALA O 1 104 ALA H . . 1.800 2.462 2.434 2.489 0.689 20 20 [***-***************+] 2
59 1 100 GLN O 1 104 ALA N . . 2.400 3.314 3.243 3.359 0.959 6 20 [*****+******-*******] 2
60 1 100 GLN O 1 104 ALA H . . 1.800 2.432 2.379 2.473 0.673 6 20 [*****+******-*******] 2
stop_
save_
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