NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533163 |
2kjp   |
16335 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kjp
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 671
_Distance_constraint_stats_list.Viol_count 1289
_Distance_constraint_stats_list.Viol_total 3208.049
_Distance_constraint_stats_list.Viol_max 1.168
_Distance_constraint_stats_list.Viol_rms 0.0520
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.1185
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 0.673 0.165 12 0 "[ . 1 . 2 ]"
1 3 ILE 7.187 0.448 20 0 "[ . 1 . 2 ]"
1 4 TYR 5.688 0.377 9 0 "[ . 1 . 2 ]"
1 5 ALA 6.747 0.569 9 1 "[ . +1 . 2 ]"
1 6 SER 1.617 0.229 20 0 "[ . 1 . 2 ]"
1 7 SER 3.420 0.569 9 1 "[ . +1 . 2 ]"
1 8 VAL 6.362 0.327 20 0 "[ . 1 . 2 ]"
1 9 VAL 0.204 0.063 21 0 "[ . 1 . 2 ]"
1 10 GLU 7.793 1.168 3 6 "[ + . * *1 *- . 2*]"
1 11 ASN 6.221 0.623 9 4 "[ . +1 *- . 2*]"
1 12 MET 4.162 1.168 3 2 "[ + . - 1 . 2 ]"
1 13 PRO 5.172 0.609 21 1 "[ . 1 . 2+]"
1 14 ALA 3.560 0.623 6 2 "[ .+ 1 . - 2 ]"
1 15 LYS 1.718 0.325 14 0 "[ . 1 . 2 ]"
1 16 GLY 0.763 0.261 20 0 "[ . 1 . 2 ]"
1 17 LYS 6.258 0.641 18 2 "[ .- 1 . + 2 ]"
1 18 ILE 5.849 0.641 18 2 "[ .* 1 . + 2 ]"
1 19 GLU 1.372 0.234 15 0 "[ . 1 . 2 ]"
1 20 VAL 9.336 0.470 9 0 "[ . 1 . 2 ]"
1 21 GLY 1.172 0.254 7 0 "[ . 1 . 2 ]"
1 22 ASP 2.925 0.388 8 0 "[ . 1 . 2 ]"
1 23 LYS 1.362 0.247 12 0 "[ . 1 . 2 ]"
1 24 ILE 7.847 0.388 8 0 "[ . 1 . 2 ]"
1 25 ILE 0.980 0.401 7 0 "[ . 1 . 2 ]"
1 26 SER 4.455 0.501 14 1 "[ . 1 +. 2 ]"
1 27 ALA 5.644 0.589 18 3 "[ . - 1 *. + 2 ]"
1 28 ASP 6.635 0.600 20 1 "[ . 1 . + ]"
1 29 GLY 0.617 0.244 14 0 "[ . 1 . 2 ]"
1 30 LYS 6.439 0.589 18 3 "[ . - 1 *. + 2 ]"
1 31 ASN 0.454 0.197 18 0 "[ . 1 . 2 ]"
1 32 TYR 7.146 0.501 14 1 "[ . 1 +. 2 ]"
1 34 SER 2.893 0.357 5 0 "[ . 1 . 2 ]"
1 35 ALA 3.552 0.448 20 0 "[ . 1 . 2 ]"
1 36 GLU 4.660 0.490 19 0 "[ . 1 . 2 ]"
1 37 LYS 4.012 0.490 19 0 "[ . 1 . 2 ]"
1 38 LEU 4.018 0.617 7 2 "[ . + 1 . - 2 ]"
1 39 ILE 1.231 0.617 7 2 "[ . + 1 . - 2 ]"
1 40 ASP 0.328 0.174 11 0 "[ . 1 . 2 ]"
1 41 TYR 0.433 0.119 7 0 "[ . 1 . 2 ]"
1 42 ILE 7.998 0.470 8 0 "[ . 1 . 2 ]"
1 43 SER 3.086 0.502 10 1 "[ . + . 2 ]"
1 44 SER 0.758 0.546 4 1 "[ +. 1 . 2 ]"
1 45 LYS 10.069 0.582 8 2 "[ . + - . 2 ]"
1 46 LYS 6.230 0.999 4 2 "[ +. 1 . * 2 ]"
1 47 ALA 8.987 0.583 17 1 "[ . 1 . + 2 ]"
1 48 GLY 1.357 0.565 17 1 "[ . 1 . + 2 ]"
1 49 ASP 3.456 0.498 4 0 "[ . 1 . 2 ]"
1 50 LYS 8.390 0.523 4 1 "[ +. 1 . 2 ]"
1 51 VAL 1.898 0.371 20 0 "[ . 1 . 2 ]"
1 52 THR 5.091 0.600 20 1 "[ . 1 . + ]"
1 53 LEU 4.468 0.496 20 0 "[ . 1 . 2 ]"
1 54 LYS 2.590 0.237 12 0 "[ . 1 . 2 ]"
1 55 ILE 7.427 0.326 12 0 "[ . 1 . 2 ]"
1 56 GLU 2.581 0.269 3 0 "[ . 1 . 2 ]"
1 57 ARG 1.348 0.254 8 0 "[ . 1 . 2 ]"
1 58 GLU 1.623 0.240 19 0 "[ . 1 . 2 ]"
1 59 GLU 0.618 0.171 16 0 "[ . 1 . 2 ]"
1 60 LYS 1.553 0.206 16 0 "[ . 1 . 2 ]"
1 61 GLU 0.721 0.250 8 0 "[ . 1 . 2 ]"
1 62 LYS 1.009 0.326 12 0 "[ . 1 . 2 ]"
1 63 ARG 1.402 0.177 20 0 "[ . 1 . 2 ]"
1 64 VAL 6.530 0.547 16 3 "[ . 1 * .+- 2 ]"
1 65 THR 5.329 0.547 16 3 "[ . 1 * .+- 2 ]"
1 66 LEU 9.375 0.609 21 1 "[ . 1 . 2+]"
1 67 THR 4.198 0.341 4 0 "[ . 1 . 2 ]"
1 68 LEU 14.268 0.999 4 3 "[ +. * 1 . - 2 ]"
1 69 LYS 3.397 0.373 4 0 "[ . 1 . 2 ]"
1 70 GLN 1.602 0.468 15 0 "[ . 1 . 2 ]"
1 71 PHE 1.063 0.164 19 0 "[ . 1 . 2 ]"
1 72 PRO 0.544 0.544 15 1 "[ . 1 + 2 ]"
1 73 ASP 0.079 0.079 19 0 "[ . 1 . 2 ]"
1 74 GLU 1.064 0.544 15 1 "[ . 1 + 2 ]"
1 75 PRO 0.196 0.192 15 0 "[ . 1 . 2 ]"
1 76 ASP 0.116 0.063 1 0 "[ . 1 . 2 ]"
1 77 ARG 1.057 0.281 1 0 "[ . 1 . 2 ]"
1 78 ALA 0.867 0.281 1 0 "[ . 1 . 2 ]"
1 79 GLY 0.575 0.493 4 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN HA 1 5 ALA HA 4.270 . 4.270 3.701 2.666 4.203 . 0 0 "[ . 1 . 2 ]" 1
2 1 1 ASN HA 1 5 ALA MB 5.360 . 5.360 4.938 3.013 5.455 0.095 20 0 "[ . 1 . 2 ]" 1
3 1 1 ASN HA 1 6 SER H 4.590 . 4.590 3.978 2.725 4.755 0.165 12 0 "[ . 1 . 2 ]" 1
4 1 3 ILE HA 1 3 ILE MD 4.260 . 4.260 3.989 2.202 4.194 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 ILE HA 1 35 ALA MB 4.850 . 4.850 4.060 2.322 4.874 0.024 6 0 "[ . 1 . 2 ]" 1
6 1 3 ILE HB 1 4 TYR QB 5.520 . 5.520 4.638 3.932 5.712 0.192 8 0 "[ . 1 . 2 ]" 1
7 1 3 ILE HB 1 4 TYR QD 4.930 . 4.930 4.486 3.017 5.264 0.334 13 0 "[ . 1 . 2 ]" 1
8 1 3 ILE MD 1 35 ALA HA 4.000 . 4.000 3.926 3.541 4.256 0.256 15 0 "[ . 1 . 2 ]" 1
9 1 3 ILE MD 1 35 ALA MB 3.150 . 3.150 2.750 2.271 3.598 0.448 20 0 "[ . 1 . 2 ]" 1
10 1 3 ILE MD 1 36 GLU HA 7.400 . 7.400 7.311 6.584 7.605 0.205 17 0 "[ . 1 . 2 ]" 1
11 1 3 ILE QG 1 3 ILE MG 3.140 . 3.140 2.311 2.095 2.549 . 0 0 "[ . 1 . 2 ]" 1
12 1 3 ILE MG 1 32 TYR QB 4.010 . 4.010 3.854 3.369 3.994 . 0 0 "[ . 1 . 2 ]" 1
13 1 3 ILE MG 1 34 SER HA 4.920 . 4.920 4.659 3.208 5.174 0.254 11 0 "[ . 1 . 2 ]" 1
14 1 3 ILE MG 1 35 ALA H 4.930 . 4.930 3.764 2.945 4.648 . 0 0 "[ . 1 . 2 ]" 1
15 1 3 ILE MG 1 35 ALA HA 3.520 . 3.520 2.588 2.142 3.579 0.059 11 0 "[ . 1 . 2 ]" 1
16 1 3 ILE MG 1 35 ALA MB 3.840 . 3.840 2.673 2.049 4.062 0.222 11 0 "[ . 1 . 2 ]" 1
17 1 3 ILE MG 1 38 LEU H 5.210 . 5.210 4.821 4.347 5.505 0.295 9 0 "[ . 1 . 2 ]" 1
18 1 3 ILE MG 1 38 LEU QB 4.470 . 4.470 3.337 2.868 4.360 . 0 0 "[ . 1 . 2 ]" 1
19 1 4 TYR HA 1 4 TYR QE 5.220 . 5.220 4.640 4.325 5.597 0.377 9 0 "[ . 1 . 2 ]" 1
20 1 4 TYR HA 1 5 ALA MB 4.540 . 4.540 3.988 3.817 4.052 . 0 0 "[ . 1 . 2 ]" 1
21 1 4 TYR HA 1 23 LYS HA 3.770 . 3.770 3.337 2.381 3.749 . 0 0 "[ . 1 . 2 ]" 1
22 1 4 TYR HA 1 24 ILE H 4.620 . 4.620 4.331 3.116 4.756 0.136 15 0 "[ . 1 . 2 ]" 1
23 1 4 TYR HA 1 24 ILE MD 4.360 . 4.360 2.962 2.293 3.607 . 0 0 "[ . 1 . 2 ]" 1
24 1 4 TYR HA 1 24 ILE QG 4.770 . 4.770 4.554 3.858 4.866 0.096 1 0 "[ . 1 . 2 ]" 1
25 1 4 TYR QB 1 5 ALA H 4.640 . 4.640 3.211 1.821 3.993 . 0 0 "[ . 1 . 2 ]" 1
26 1 4 TYR QB 1 23 LYS QB 5.590 . 5.590 5.098 2.391 5.837 0.247 12 0 "[ . 1 . 2 ]" 1
27 1 4 TYR QD 1 23 LYS QB 5.140 . 5.140 3.990 2.628 5.348 0.208 5 0 "[ . 1 . 2 ]" 1
28 1 5 ALA H 1 5 ALA MB 3.400 . 3.400 2.314 2.211 2.661 . 0 0 "[ . 1 . 2 ]" 1
29 1 5 ALA H 1 24 ILE MD 4.650 . 4.650 3.399 2.213 4.652 0.002 17 0 "[ . 1 . 2 ]" 1
30 1 5 ALA HA 1 7 SER H 4.000 . 4.000 3.808 3.201 4.569 0.569 9 1 "[ . +1 . 2 ]" 1
31 1 5 ALA HA 1 8 VAL QG . . 4.710 4.395 3.790 4.901 0.191 3 0 "[ . 1 . 2 ]" 1
32 1 5 ALA HA 1 24 ILE MD 5.250 . 5.250 4.525 3.754 4.812 . 0 0 "[ . 1 . 2 ]" 1
33 1 5 ALA HA 1 24 ILE QG 6.630 . 6.630 6.546 5.571 6.869 0.239 14 0 "[ . 1 . 2 ]" 1
34 1 5 ALA MB 1 6 SER H 4.200 . 4.200 3.011 2.237 3.518 . 0 0 "[ . 1 . 2 ]" 1
35 1 5 ALA MB 1 7 SER H 4.400 . 4.400 3.633 2.961 4.226 . 0 0 "[ . 1 . 2 ]" 1
36 1 5 ALA MB 1 8 VAL QG 3.360 . 3.360 3.026 2.283 3.679 0.319 4 0 "[ . 1 . 2 ]" 1
37 1 5 ALA MB 1 20 VAL HA 3.820 . 3.820 2.921 2.251 3.878 0.058 9 0 "[ . 1 . 2 ]" 1
38 1 5 ALA MB 1 20 VAL QG 3.910 . 3.910 3.810 3.226 4.380 0.470 9 0 "[ . 1 . 2 ]" 1
39 1 5 ALA MB 1 21 GLY H 4.090 . 4.090 2.296 1.780 3.184 0.020 4 0 "[ . 1 . 2 ]" 1
40 1 5 ALA MB 1 22 ASP H 3.540 . 3.540 3.157 2.490 3.705 0.165 9 0 "[ . 1 . 2 ]" 1
41 1 5 ALA MB 1 22 ASP QB . . 4.600 3.657 2.811 4.237 . 0 0 "[ . 1 . 2 ]" 1
42 1 5 ALA MB 1 24 ILE MD 3.320 . 3.320 3.261 2.316 3.533 0.213 3 0 "[ . 1 . 2 ]" 1
43 1 5 ALA MB 1 24 ILE MG 4.870 . 4.870 4.603 4.237 5.155 0.285 9 0 "[ . 1 . 2 ]" 1
44 1 6 SER H 1 7 SER H 3.320 . 3.320 2.133 1.571 2.761 0.229 20 0 "[ . 1 . 2 ]" 1
45 1 6 SER H 1 8 VAL QG 5.100 . 5.100 4.301 3.233 5.107 0.007 6 0 "[ . 1 . 2 ]" 1
46 1 6 SER HA 1 20 VAL HA 4.630 . 4.630 4.355 3.370 4.814 0.184 6 0 "[ . 1 . 2 ]" 1
47 1 6 SER HA 1 20 VAL QG 4.660 . 4.660 4.411 3.210 4.754 0.094 9 0 "[ . 1 . 2 ]" 1
48 1 6 SER QB 1 7 SER H 3.920 . 3.920 2.997 1.906 3.583 . 0 0 "[ . 1 . 2 ]" 1
49 1 7 SER H 1 8 VAL QG 4.330 . 4.330 3.404 2.911 3.838 . 0 0 "[ . 1 . 2 ]" 1
50 1 7 SER H 1 20 VAL QG 4.590 . 4.590 4.446 3.589 4.728 0.138 9 0 "[ . 1 . 2 ]" 1
51 1 7 SER HA 1 8 VAL H 3.070 . 3.070 2.302 2.145 2.479 . 0 0 "[ . 1 . 2 ]" 1
52 1 7 SER HA 1 8 VAL QG 4.380 . 4.380 3.182 3.025 3.432 . 0 0 "[ . 1 . 2 ]" 1
53 1 7 SER HA 1 20 VAL QG . . 2.970 2.879 2.440 3.181 0.211 15 0 "[ . 1 . 2 ]" 1
54 1 7 SER QB 1 8 VAL H 3.660 . 3.660 2.935 2.268 3.827 0.167 11 0 "[ . 1 . 2 ]" 1
55 1 7 SER QB 1 8 VAL QG 5.280 . 5.280 4.040 3.623 4.290 . 0 0 "[ . 1 . 2 ]" 1
56 1 7 SER QB 1 20 VAL QG . . 4.210 4.023 2.904 4.437 0.227 20 0 "[ . 1 . 2 ]" 1
57 1 8 VAL H 1 8 VAL HB 3.850 . 3.850 3.651 2.808 3.940 0.090 8 0 "[ . 1 . 2 ]" 1
58 1 8 VAL H 1 8 VAL QG 3.710 . 3.710 2.358 2.023 3.047 . 0 0 "[ . 1 . 2 ]" 1
59 1 8 VAL H 1 20 VAL QG . . 3.750 3.658 3.018 4.077 0.327 20 0 "[ . 1 . 2 ]" 1
60 1 8 VAL HA 1 9 VAL H 3.560 . 3.560 2.255 2.172 2.380 . 0 0 "[ . 1 . 2 ]" 1
61 1 8 VAL QG 1 9 VAL H 4.090 . 4.090 3.074 1.999 3.575 . 0 0 "[ . 1 . 2 ]" 1
62 1 8 VAL QG 1 9 VAL HA 5.680 . 5.680 4.197 3.786 4.546 . 0 0 "[ . 1 . 2 ]" 1
63 1 8 VAL QG 1 19 GLU HA 4.220 . 4.220 4.028 2.697 4.401 0.181 8 0 "[ . 1 . 2 ]" 1
64 1 8 VAL QG 1 19 GLU QG . . 4.870 3.548 2.316 3.989 . 0 0 "[ . 1 . 2 ]" 1
65 1 8 VAL QG 1 20 VAL H 4.680 . 4.680 4.283 3.221 4.832 0.152 14 0 "[ . 1 . 2 ]" 1
66 1 8 VAL QG 1 20 VAL HA 4.560 . 4.560 3.658 2.901 4.443 . 0 0 "[ . 1 . 2 ]" 1
67 1 8 VAL QG 1 20 VAL QG 3.390 . 3.390 2.919 1.945 3.644 0.254 1 0 "[ . 1 . 2 ]" 1
68 1 9 VAL H 1 9 VAL HB 4.050 . 4.050 2.674 2.437 3.628 . 0 0 "[ . 1 . 2 ]" 1
69 1 9 VAL HA 1 10 GLU H 3.390 . 3.390 2.197 2.155 2.245 . 0 0 "[ . 1 . 2 ]" 1
70 1 9 VAL QG 1 10 GLU H 4.510 . 4.510 2.604 2.351 3.447 . 0 0 "[ . 1 . 2 ]" 1
71 1 9 VAL QG 1 12 MET H . . 5.120 4.857 3.906 5.183 0.063 21 0 "[ . 1 . 2 ]" 1
72 1 10 GLU H 1 10 GLU QB 3.370 . 3.370 2.418 2.104 2.788 . 0 0 "[ . 1 . 2 ]" 1
73 1 10 GLU H 1 10 GLU QG 3.940 . 3.940 2.945 1.793 4.084 0.144 1 0 "[ . 1 . 2 ]" 1
74 1 10 GLU HA 1 10 GLU QG 3.830 . 3.830 2.918 2.309 3.522 . 0 0 "[ . 1 . 2 ]" 1
75 1 10 GLU HA 1 11 ASN QB 4.750 . 4.750 4.586 4.314 5.204 0.454 15 0 "[ . 1 . 2 ]" 1
76 1 10 GLU HA 1 12 MET H 4.720 . 4.720 3.700 3.152 5.888 1.168 3 2 "[ + . - 1 . 2 ]" 1
77 1 10 GLU QB 1 11 ASN H 4.540 . 4.540 2.591 1.765 4.080 0.035 14 0 "[ . 1 . 2 ]" 1
78 1 10 GLU QB 1 11 ASN QB 4.390 . 4.390 4.126 3.292 4.732 0.342 12 0 "[ . 1 . 2 ]" 1
79 1 10 GLU QG 1 11 ASN QB 4.040 . 4.040 3.667 2.504 4.663 0.623 9 4 "[ . +1 *- . 2*]" 1
80 1 11 ASN H 1 12 MET H 3.930 . 3.930 2.761 1.775 4.425 0.495 3 0 "[ . 1 . 2 ]" 1
81 1 11 ASN HA 1 12 MET HA 5.340 . 5.340 4.593 4.428 5.199 . 0 0 "[ . 1 . 2 ]" 1
82 1 11 ASN QB 1 12 MET H 4.390 . 4.390 3.683 1.931 4.032 . 0 0 "[ . 1 . 2 ]" 1
83 1 12 MET H 1 12 MET QB 3.880 . 3.880 2.768 2.274 3.485 . 0 0 "[ . 1 . 2 ]" 1
84 1 12 MET HA 1 13 PRO QD 3.480 . 3.480 2.238 2.134 2.334 . 0 0 "[ . 1 . 2 ]" 1
85 1 12 MET HA 1 17 LYS QD 6.720 . 6.720 6.180 5.102 6.459 . 0 0 "[ . 1 . 2 ]" 1
86 1 12 MET HA 1 69 LYS QB 4.870 . 4.870 3.611 3.122 5.076 0.206 15 0 "[ . 1 . 2 ]" 1
87 1 12 MET HA 1 69 LYS QD 4.660 . 4.660 4.407 3.441 4.877 0.217 18 0 "[ . 1 . 2 ]" 1
88 1 12 MET HA 1 69 LYS QE 5.500 . 5.500 4.998 3.354 5.815 0.315 21 0 "[ . 1 . 2 ]" 1
89 1 12 MET HA 1 70 GLN QB 8.540 . 8.540 8.020 5.176 8.504 . 0 0 "[ . 1 . 2 ]" 1
90 1 12 MET HA 1 70 GLN QG 8.110 . 8.110 7.319 5.967 7.612 . 0 0 "[ . 1 . 2 ]" 1
91 1 12 MET QB 1 13 PRO QD 4.140 . 4.140 2.277 1.991 3.910 . 0 0 "[ . 1 . 2 ]" 1
92 1 13 PRO HA 1 14 ALA MB 5.200 . 5.200 4.323 4.115 4.744 . 0 0 "[ . 1 . 2 ]" 1
93 1 13 PRO HA 1 15 LYS H 5.080 . 5.080 3.814 3.243 4.187 . 0 0 "[ . 1 . 2 ]" 1
94 1 13 PRO HA 1 17 LYS QD 5.710 . 5.710 5.483 4.472 6.176 0.466 15 0 "[ . 1 . 2 ]" 1
95 1 13 PRO HA 1 66 LEU QD 5.020 . 5.020 4.437 2.715 5.629 0.609 21 1 "[ . 1 . 2+]" 1
96 1 13 PRO QB 1 14 ALA H 4.130 . 4.130 3.187 2.687 3.773 . 0 0 "[ . 1 . 2 ]" 1
97 1 13 PRO QB 1 14 ALA MB 5.060 . 5.060 4.626 4.351 5.018 . 0 0 "[ . 1 . 2 ]" 1
98 1 13 PRO QB 1 15 LYS H 4.900 . 4.900 3.354 2.286 4.500 . 0 0 "[ . 1 . 2 ]" 1
99 1 13 PRO QB 1 17 LYS QD . . 3.900 3.147 2.246 4.065 0.165 21 0 "[ . 1 . 2 ]" 1
100 1 13 PRO QB 1 66 LEU HA 6.200 . 6.200 5.515 4.809 6.439 0.239 7 0 "[ . 1 . 2 ]" 1
101 1 13 PRO QB 1 66 LEU QB 5.180 . 5.180 3.642 2.680 5.112 . 0 0 "[ . 1 . 2 ]" 1
102 1 13 PRO QB 1 66 LEU QD . . 3.790 2.421 2.081 3.390 . 0 0 "[ . 1 . 2 ]" 1
103 1 13 PRO QB 1 67 THR H . . 5.440 4.806 4.003 5.714 0.274 7 0 "[ . 1 . 2 ]" 1
104 1 13 PRO QD 1 14 ALA H 4.510 . 4.510 2.930 2.568 3.423 . 0 0 "[ . 1 . 2 ]" 1
105 1 13 PRO QD 1 17 LYS QB 6.780 . 6.780 5.745 4.281 6.608 . 0 0 "[ . 1 . 2 ]" 1
106 1 13 PRO QD 1 17 LYS QD . . 4.110 3.604 3.133 4.070 . 0 0 "[ . 1 . 2 ]" 1
107 1 13 PRO QD 1 17 LYS QE 5.300 . 5.300 4.712 3.362 5.376 0.076 18 0 "[ . 1 . 2 ]" 1
108 1 13 PRO QD 1 69 LYS QB . . 3.940 2.442 2.021 3.597 . 0 0 "[ . 1 . 2 ]" 1
109 1 13 PRO QD 1 69 LYS QD 4.380 . 4.380 3.470 2.668 4.229 . 0 0 "[ . 1 . 2 ]" 1
110 1 13 PRO QD 1 69 LYS QG 4.950 . 4.950 2.635 2.161 3.304 . 0 0 "[ . 1 . 2 ]" 1
111 1 13 PRO QG 1 17 LYS QD 4.380 . 4.380 3.643 2.253 4.601 0.221 7 0 "[ . 1 . 2 ]" 1
112 1 14 ALA H 1 14 ALA MB 3.300 . 3.300 2.604 2.246 2.876 . 0 0 "[ . 1 . 2 ]" 1
113 1 14 ALA H 1 15 LYS H 3.910 . 3.910 3.234 2.879 3.834 . 0 0 "[ . 1 . 2 ]" 1
114 1 14 ALA H 1 15 LYS QB 5.430 . 5.430 4.906 4.573 5.635 0.205 14 0 "[ . 1 . 2 ]" 1
115 1 14 ALA H 1 66 LEU QD 4.930 . 4.930 4.700 3.787 5.090 0.160 3 0 "[ . 1 . 2 ]" 1
116 1 14 ALA HA 1 17 LYS H 4.380 . 4.380 3.878 3.552 4.159 . 0 0 "[ . 1 . 2 ]" 1
117 1 14 ALA HA 1 17 LYS QB 4.470 . 4.470 4.129 2.067 4.644 0.174 10 0 "[ . 1 . 2 ]" 1
118 1 14 ALA HA 1 18 ILE MD 5.730 . 5.730 4.872 4.172 5.278 . 0 0 "[ . 1 . 2 ]" 1
119 1 14 ALA MB 1 15 LYS H 4.080 . 4.080 2.986 1.998 3.593 . 0 0 "[ . 1 . 2 ]" 1
120 1 14 ALA MB 1 15 LYS QB 4.860 . 4.860 4.221 3.414 4.816 . 0 0 "[ . 1 . 2 ]" 1
121 1 14 ALA MB 1 17 LYS H 4.740 . 4.740 4.504 4.045 4.837 0.097 16 0 "[ . 1 . 2 ]" 1
122 1 14 ALA MB 1 18 ILE HB 5.200 . 5.200 4.780 3.484 5.823 0.623 6 2 "[ .+ 1 . - 2 ]" 1
123 1 15 LYS H 1 15 LYS QB . . 3.290 2.228 2.151 2.595 . 0 0 "[ . 1 . 2 ]" 1
124 1 15 LYS H 1 15 LYS QG 4.450 . 4.450 3.850 1.804 4.069 . 0 0 "[ . 1 . 2 ]" 1
125 1 15 LYS H 1 16 GLY H 4.740 . 4.740 4.473 4.310 4.655 . 0 0 "[ . 1 . 2 ]" 1
126 1 15 LYS H 1 64 VAL QG 6.560 . 6.560 6.062 5.241 6.476 . 0 0 "[ . 1 . 2 ]" 1
127 1 15 LYS HA 1 15 LYS QD 3.980 . 3.980 3.937 2.376 4.305 0.325 14 0 "[ . 1 . 2 ]" 1
128 1 15 LYS HA 1 16 GLY H 3.320 . 3.320 2.192 2.126 2.420 . 0 0 "[ . 1 . 2 ]" 1
129 1 15 LYS HA 1 17 LYS H 4.690 . 4.690 3.744 3.442 4.095 . 0 0 "[ . 1 . 2 ]" 1
130 1 15 LYS HA 1 64 VAL QG 5.700 . 5.700 5.302 4.475 5.696 . 0 0 "[ . 1 . 2 ]" 1
131 1 15 LYS QB 1 16 GLY H 4.460 . 4.460 3.761 3.286 3.961 . 0 0 "[ . 1 . 2 ]" 1
132 1 15 LYS QB 1 64 VAL QG 5.270 . 5.270 4.594 3.457 5.199 . 0 0 "[ . 1 . 2 ]" 1
133 1 15 LYS QD 1 16 GLY H 5.260 . 5.260 4.839 3.862 5.339 0.079 14 0 "[ . 1 . 2 ]" 1
134 1 15 LYS QE 1 64 VAL QG 5.160 . 5.160 4.545 2.861 5.325 0.165 18 0 "[ . 1 . 2 ]" 1
135 1 15 LYS QG 1 16 GLY H 4.270 . 4.270 2.926 2.005 4.288 0.018 14 0 "[ . 1 . 2 ]" 1
136 1 15 LYS QG 1 16 GLY QA 5.670 . 5.670 3.378 3.003 4.138 . 0 0 "[ . 1 . 2 ]" 1
137 1 15 LYS QG 1 64 VAL QG 4.480 . 4.480 3.760 2.776 4.526 0.046 14 0 "[ . 1 . 2 ]" 1
138 1 16 GLY H 1 17 LYS H 3.740 . 3.740 3.038 2.454 3.414 . 0 0 "[ . 1 . 2 ]" 1
139 1 16 GLY H 1 17 LYS QB 5.950 . 5.950 5.272 4.702 5.897 . 0 0 "[ . 1 . 2 ]" 1
140 1 16 GLY H 1 64 VAL QG 4.290 . 4.290 4.172 3.777 4.551 0.261 20 0 "[ . 1 . 2 ]" 1
141 1 16 GLY QA 1 17 LYS QB 5.180 . 5.180 4.197 3.841 4.660 . 0 0 "[ . 1 . 2 ]" 1
142 1 17 LYS H 1 17 LYS QB 3.370 . 3.370 2.823 2.061 3.257 . 0 0 "[ . 1 . 2 ]" 1
143 1 17 LYS H 1 17 LYS QD 4.670 . 4.670 4.175 3.742 4.824 0.154 13 0 "[ . 1 . 2 ]" 1
144 1 17 LYS H 1 17 LYS QG 4.590 . 4.590 2.801 2.032 4.215 . 0 0 "[ . 1 . 2 ]" 1
145 1 17 LYS H 1 18 ILE MG 5.050 . 5.050 4.942 4.475 5.691 0.641 18 2 "[ .- 1 . + 2 ]" 1
146 1 17 LYS H 1 64 VAL QG 4.610 . 4.610 4.338 3.825 4.706 0.096 1 0 "[ . 1 . 2 ]" 1
147 1 17 LYS HA 1 17 LYS QD . . 4.590 4.371 3.962 4.622 0.032 14 0 "[ . 1 . 2 ]" 1
148 1 17 LYS HA 1 17 LYS QG 3.750 . 3.750 3.036 2.268 3.439 . 0 0 "[ . 1 . 2 ]" 1
149 1 17 LYS HA 1 18 ILE MG 4.170 . 4.170 3.734 3.623 3.839 . 0 0 "[ . 1 . 2 ]" 1
150 1 17 LYS HA 1 24 ILE MG 7.030 . 7.030 6.478 5.711 6.887 . 0 0 "[ . 1 . 2 ]" 1
151 1 17 LYS QB 1 18 ILE H 4.650 . 4.650 3.510 1.775 4.050 0.025 6 0 "[ . 1 . 2 ]" 1
152 1 17 LYS QB 1 18 ILE MG 5.110 . 5.110 4.834 3.323 5.210 0.100 16 0 "[ . 1 . 2 ]" 1
153 1 17 LYS QD 1 66 LEU QD 5.190 . 5.190 2.753 1.925 4.211 . 0 0 "[ . 1 . 2 ]" 1
154 1 17 LYS QD 1 69 LYS QB 6.340 . 6.340 5.341 4.739 5.616 . 0 0 "[ . 1 . 2 ]" 1
155 1 17 LYS QE 1 66 LEU QD 5.670 . 5.670 3.633 2.308 4.841 . 0 0 "[ . 1 . 2 ]" 1
156 1 18 ILE H 1 18 ILE HB 3.540 . 3.540 3.100 2.774 3.536 . 0 0 "[ . 1 . 2 ]" 1
157 1 18 ILE H 1 18 ILE MD 4.460 . 4.460 4.342 3.500 4.695 0.235 11 0 "[ . 1 . 2 ]" 1
158 1 18 ILE H 1 18 ILE QG 4.630 . 4.630 3.892 1.833 4.219 . 0 0 "[ . 1 . 2 ]" 1
159 1 18 ILE H 1 18 ILE MG 3.900 . 3.900 2.006 1.829 2.225 . 0 0 "[ . 1 . 2 ]" 1
160 1 18 ILE H 1 19 GLU H 4.540 . 4.540 4.434 4.340 4.546 0.006 2 0 "[ . 1 . 2 ]" 1
161 1 18 ILE HA 1 18 ILE MD 3.730 . 3.730 2.813 2.165 4.158 0.428 6 0 "[ . 1 . 2 ]" 1
162 1 18 ILE HA 1 18 ILE QG 3.610 . 3.610 2.822 2.341 3.328 . 0 0 "[ . 1 . 2 ]" 1
163 1 18 ILE HA 1 18 ILE MG 3.470 . 3.470 3.145 2.299 3.240 . 0 0 "[ . 1 . 2 ]" 1
164 1 18 ILE HA 1 19 GLU H 3.300 . 3.300 2.218 2.121 2.348 . 0 0 "[ . 1 . 2 ]" 1
165 1 18 ILE QG 1 18 ILE MG 2.860 . 2.860 2.180 2.105 2.304 . 0 0 "[ . 1 . 2 ]" 1
166 1 18 ILE QG 1 19 GLU H 4.040 . 4.040 2.560 1.940 3.885 . 0 0 "[ . 1 . 2 ]" 1
167 1 18 ILE QG 1 22 ASP QB 4.690 . 4.690 4.487 3.966 4.737 0.047 4 0 "[ . 1 . 2 ]" 1
168 1 18 ILE MG 1 19 GLU H 3.820 . 3.820 3.729 3.534 3.972 0.152 19 0 "[ . 1 . 2 ]" 1
169 1 18 ILE MG 1 22 ASP H 5.490 . 5.490 5.239 4.873 5.573 0.083 18 0 "[ . 1 . 2 ]" 1
170 1 18 ILE MG 1 22 ASP HA 6.110 . 6.110 5.753 4.980 6.025 . 0 0 "[ . 1 . 2 ]" 1
171 1 18 ILE MG 1 22 ASP QB 3.780 . 3.780 3.568 3.203 3.799 0.019 17 0 "[ . 1 . 2 ]" 1
172 1 19 GLU H 1 19 GLU QB . . 3.460 2.681 2.382 2.823 . 0 0 "[ . 1 . 2 ]" 1
173 1 19 GLU H 1 19 GLU QG . . 4.370 3.378 2.883 4.308 . 0 0 "[ . 1 . 2 ]" 1
174 1 19 GLU HA 1 20 VAL H 3.150 . 3.150 2.249 2.117 2.708 . 0 0 "[ . 1 . 2 ]" 1
175 1 19 GLU QG 1 20 VAL H . . 4.360 4.076 2.007 4.594 0.234 15 0 "[ . 1 . 2 ]" 1
176 1 20 VAL H 1 20 VAL HB 3.810 . 3.810 3.437 2.573 3.965 0.155 1 0 "[ . 1 . 2 ]" 1
177 1 20 VAL H 1 20 VAL QG . . 3.080 2.687 1.758 3.153 0.073 15 0 "[ . 1 . 2 ]" 1
178 1 20 VAL H 1 21 GLY H 4.890 . 4.890 3.265 2.664 4.428 . 0 0 "[ . 1 . 2 ]" 1
179 1 20 VAL HA 1 20 VAL QG . . 2.810 2.206 2.114 2.297 . 0 0 "[ . 1 . 2 ]" 1
180 1 20 VAL HA 1 21 GLY H 3.280 . 3.280 2.276 2.076 2.552 . 0 0 "[ . 1 . 2 ]" 1
181 1 20 VAL HA 1 21 GLY QA 5.300 . 5.300 3.929 3.862 4.000 . 0 0 "[ . 1 . 2 ]" 1
182 1 20 VAL HA 1 22 ASP H 4.190 . 4.190 3.861 3.625 4.172 . 0 0 "[ . 1 . 2 ]" 1
183 1 20 VAL HB 1 21 GLY H 4.740 . 4.740 4.420 3.582 4.631 . 0 0 "[ . 1 . 2 ]" 1
184 1 20 VAL QG 1 21 GLY H . . 3.490 3.445 3.118 3.744 0.254 7 0 "[ . 1 . 2 ]" 1
185 1 20 VAL QG 1 21 GLY QA 4.010 . 4.010 3.582 3.357 4.130 0.120 7 0 "[ . 1 . 2 ]" 1
186 1 21 GLY H 1 22 ASP H 3.560 . 3.560 2.757 2.504 2.940 . 0 0 "[ . 1 . 2 ]" 1
187 1 22 ASP H 1 22 ASP QB . . 3.300 2.437 2.195 2.514 . 0 0 "[ . 1 . 2 ]" 1
188 1 22 ASP H 1 24 ILE MD 5.640 . 5.640 5.545 5.047 6.028 0.388 8 0 "[ . 1 . 2 ]" 1
189 1 22 ASP H 1 57 ARG QG 6.450 . 6.450 6.182 5.583 6.423 . 0 0 "[ . 1 . 2 ]" 1
190 1 22 ASP HA 1 23 LYS H 3.310 . 3.310 2.334 2.142 2.540 . 0 0 "[ . 1 . 2 ]" 1
191 1 22 ASP HA 1 55 ILE MD 5.690 . 5.690 5.462 5.049 5.668 . 0 0 "[ . 1 . 2 ]" 1
192 1 22 ASP HA 1 55 ILE MG 4.530 . 4.530 4.237 3.980 4.378 . 0 0 "[ . 1 . 2 ]" 1
193 1 22 ASP QB 1 23 LYS H 4.270 . 4.270 2.585 2.151 3.255 . 0 0 "[ . 1 . 2 ]" 1
194 1 22 ASP QB 1 24 ILE MD 4.600 . 4.600 4.213 3.871 4.708 0.108 1 0 "[ . 1 . 2 ]" 1
195 1 22 ASP QB 1 55 ILE HB . . 5.000 4.937 4.627 5.095 0.095 13 0 "[ . 1 . 2 ]" 1
196 1 22 ASP QB 1 55 ILE MD 4.160 . 4.160 3.118 2.736 3.384 . 0 0 "[ . 1 . 2 ]" 1
197 1 22 ASP QB 1 55 ILE QG 4.480 . 4.480 4.409 3.863 4.665 0.185 12 0 "[ . 1 . 2 ]" 1
198 1 22 ASP QB 1 55 ILE MG 3.970 . 3.970 2.215 2.098 2.418 . 0 0 "[ . 1 . 2 ]" 1
199 1 23 LYS H 1 23 LYS QB 3.410 . 3.410 2.526 2.297 3.147 . 0 0 "[ . 1 . 2 ]" 1
200 1 23 LYS H 1 24 ILE H 4.880 . 4.880 4.476 4.370 4.595 . 0 0 "[ . 1 . 2 ]" 1
201 1 23 LYS H 1 24 ILE MD 5.590 . 5.590 4.511 4.182 4.682 . 0 0 "[ . 1 . 2 ]" 1
202 1 23 LYS H 1 55 ILE MD 5.100 . 5.100 4.686 4.233 5.179 0.079 20 0 "[ . 1 . 2 ]" 1
203 1 23 LYS H 1 56 GLU H 4.200 . 4.200 3.555 3.052 4.390 0.190 20 0 "[ . 1 . 2 ]" 1
204 1 23 LYS HA 1 24 ILE MD 3.950 . 3.950 2.652 2.317 2.779 . 0 0 "[ . 1 . 2 ]" 1
205 1 23 LYS HA 1 55 ILE MD 5.510 . 5.510 5.110 4.817 5.492 . 0 0 "[ . 1 . 2 ]" 1
206 1 24 ILE H 1 24 ILE HB 3.740 . 3.740 3.498 2.700 3.627 . 0 0 "[ . 1 . 2 ]" 1
207 1 24 ILE H 1 24 ILE MD 3.770 . 3.770 2.098 1.730 2.221 0.070 9 0 "[ . 1 . 2 ]" 1
208 1 24 ILE H 1 24 ILE QG 4.000 . 4.000 1.953 1.854 2.923 . 0 0 "[ . 1 . 2 ]" 1
209 1 24 ILE H 1 24 ILE MG 3.810 . 3.810 3.295 3.078 3.805 . 0 0 "[ . 1 . 2 ]" 1
210 1 24 ILE HA 1 24 ILE MD 3.810 . 3.810 3.344 3.050 3.516 . 0 0 "[ . 1 . 2 ]" 1
211 1 24 ILE HA 1 24 ILE QG 3.800 . 3.800 3.465 2.660 3.516 . 0 0 "[ . 1 . 2 ]" 1
212 1 24 ILE HA 1 24 ILE MG 3.210 . 3.210 2.274 2.234 2.306 . 0 0 "[ . 1 . 2 ]" 1
213 1 24 ILE HA 1 25 ILE H 3.510 . 3.510 2.146 2.092 2.176 . 0 0 "[ . 1 . 2 ]" 1
214 1 24 ILE HA 1 26 SER H 4.500 . 4.500 4.018 3.784 4.418 . 0 0 "[ . 1 . 2 ]" 1
215 1 24 ILE HA 1 55 ILE HA 3.460 . 3.460 2.964 2.542 3.200 . 0 0 "[ . 1 . 2 ]" 1
216 1 24 ILE HA 1 55 ILE HB 6.000 . 6.000 5.822 5.180 6.090 0.090 14 0 "[ . 1 . 2 ]" 1
217 1 24 ILE HA 1 55 ILE MD 4.200 . 4.200 3.171 2.692 4.184 . 0 0 "[ . 1 . 2 ]" 1
218 1 24 ILE HA 1 55 ILE MG 4.380 . 4.380 4.281 3.791 4.521 0.141 8 0 "[ . 1 . 2 ]" 1
219 1 24 ILE HA 1 56 GLU H 4.590 . 4.590 4.309 3.709 4.792 0.202 18 0 "[ . 1 . 2 ]" 1
220 1 24 ILE HB 1 24 ILE MD 3.620 . 3.620 3.213 2.316 3.283 . 0 0 "[ . 1 . 2 ]" 1
221 1 24 ILE MD 1 27 ALA MB 5.960 . 5.960 5.864 5.233 6.136 0.176 19 0 "[ . 1 . 2 ]" 1
222 1 24 ILE MD 1 38 LEU QD 3.660 . 3.660 3.490 2.963 3.830 0.170 8 0 "[ . 1 . 2 ]" 1
223 1 24 ILE MD 1 55 ILE HA 5.120 . 5.120 5.027 4.687 5.249 0.129 14 0 "[ . 1 . 2 ]" 1
224 1 24 ILE MD 1 55 ILE MD 3.700 . 3.700 3.553 3.339 3.821 0.121 15 0 "[ . 1 . 2 ]" 1
225 1 24 ILE QG 1 38 LEU QD 2.940 . 2.940 2.533 2.165 2.960 0.020 9 0 "[ . 1 . 2 ]" 1
226 1 24 ILE MG 1 25 ILE H 3.830 . 3.830 3.714 3.043 3.851 0.021 6 0 "[ . 1 . 2 ]" 1
227 1 24 ILE MG 1 26 SER H 4.420 . 4.420 4.237 2.819 4.560 0.140 8 0 "[ . 1 . 2 ]" 1
228 1 24 ILE MG 1 55 ILE HA 4.680 . 4.680 3.552 3.142 4.184 . 0 0 "[ . 1 . 2 ]" 1
229 1 25 ILE H 1 25 ILE HB 3.600 . 3.600 2.564 2.504 2.609 . 0 0 "[ . 1 . 2 ]" 1
230 1 25 ILE H 1 25 ILE MD 4.490 . 4.490 3.316 2.808 4.340 . 0 0 "[ . 1 . 2 ]" 1
231 1 25 ILE H 1 25 ILE QG 3.970 . 3.970 2.094 1.908 3.993 0.023 7 0 "[ . 1 . 2 ]" 1
232 1 25 ILE H 1 25 ILE MG 4.250 . 4.250 3.687 1.923 3.802 . 0 0 "[ . 1 . 2 ]" 1
233 1 25 ILE H 1 26 SER H 3.470 . 3.470 2.633 2.394 2.770 . 0 0 "[ . 1 . 2 ]" 1
234 1 25 ILE H 1 54 LYS H 4.900 . 4.900 4.594 4.248 5.076 0.176 7 0 "[ . 1 . 2 ]" 1
235 1 25 ILE H 1 54 LYS QB 4.980 . 4.980 3.218 2.751 3.784 . 0 0 "[ . 1 . 2 ]" 1
236 1 25 ILE H 1 55 ILE HA 3.950 . 3.950 3.653 2.867 4.113 0.163 11 0 "[ . 1 . 2 ]" 1
237 1 25 ILE H 1 56 GLU QB 5.330 . 5.330 4.528 3.789 5.407 0.077 13 0 "[ . 1 . 2 ]" 1
238 1 25 ILE HA 1 25 ILE MD 3.890 . 3.890 3.315 2.190 3.890 0.000 3 0 "[ . 1 . 2 ]" 1
239 1 25 ILE HA 1 25 ILE MG 3.440 . 3.440 2.396 2.327 3.231 . 0 0 "[ . 1 . 2 ]" 1
240 1 25 ILE HB 1 26 SER H 3.470 . 3.470 2.479 2.180 3.871 0.401 7 0 "[ . 1 . 2 ]" 1
241 1 25 ILE QG 1 25 ILE MG 3.190 . 3.190 2.298 2.273 2.313 . 0 0 "[ . 1 . 2 ]" 1
242 1 25 ILE QG 1 26 SER H 4.300 . 4.300 3.837 3.618 3.927 . 0 0 "[ . 1 . 2 ]" 1
243 1 25 ILE MG 1 26 SER H 3.930 . 3.930 3.380 2.001 3.598 . 0 0 "[ . 1 . 2 ]" 1
244 1 25 ILE MG 1 26 SER HA 4.830 . 4.830 4.371 4.007 4.481 . 0 0 "[ . 1 . 2 ]" 1
245 1 25 ILE MG 1 26 SER QB . . 3.660 3.040 2.748 3.537 . 0 0 "[ . 1 . 2 ]" 1
246 1 26 SER H 1 27 ALA H 4.370 . 4.370 4.350 4.309 4.385 0.015 15 0 "[ . 1 . 2 ]" 1
247 1 26 SER H 1 54 LYS H 3.830 . 3.830 3.586 3.283 3.857 0.027 7 0 "[ . 1 . 2 ]" 1
248 1 26 SER H 1 54 LYS QB 3.950 . 3.950 2.604 2.207 3.113 . 0 0 "[ . 1 . 2 ]" 1
249 1 26 SER HA 1 27 ALA H 3.310 . 3.310 2.386 2.266 2.465 . 0 0 "[ . 1 . 2 ]" 1
250 1 26 SER HA 1 30 LYS H 5.470 . 5.470 5.284 4.348 5.552 0.082 17 0 "[ . 1 . 2 ]" 1
251 1 26 SER HA 1 31 ASN HA 3.440 . 3.440 3.094 2.290 3.513 0.073 20 0 "[ . 1 . 2 ]" 1
252 1 26 SER HA 1 32 TYR H 4.590 . 4.590 4.462 3.755 5.091 0.501 14 1 "[ . 1 +. 2 ]" 1
253 1 26 SER HA 1 54 LYS QG 6.210 . 6.210 5.993 5.001 6.373 0.163 20 0 "[ . 1 . 2 ]" 1
254 1 26 SER QB 1 27 ALA H . . 3.470 2.590 2.312 3.403 . 0 0 "[ . 1 . 2 ]" 1
255 1 26 SER QB 1 30 LYS H 4.240 . 4.240 3.691 2.497 4.359 0.119 3 0 "[ . 1 . 2 ]" 1
256 1 26 SER QB 1 31 ASN HA . . 3.560 2.948 2.504 3.757 0.197 18 0 "[ . 1 . 2 ]" 1
257 1 26 SER QB 1 54 LYS QB 4.370 . 4.370 4.185 3.073 4.500 0.130 9 0 "[ . 1 . 2 ]" 1
258 1 27 ALA H 1 41 TYR QD 6.180 . 6.180 5.825 5.652 5.918 . 0 0 "[ . 1 . 2 ]" 1
259 1 27 ALA H 1 41 TYR QE 5.980 . 5.980 5.588 5.451 5.706 . 0 0 "[ . 1 . 2 ]" 1
260 1 27 ALA HA 1 28 ASP H 3.110 . 3.110 2.401 2.181 3.433 0.323 19 0 "[ . 1 . 2 ]" 1
261 1 27 ALA HA 1 29 GLY H 4.670 . 4.670 3.835 3.372 4.687 0.017 16 0 "[ . 1 . 2 ]" 1
262 1 27 ALA HA 1 38 LEU QD 5.150 . 5.150 4.630 4.268 5.079 . 0 0 "[ . 1 . 2 ]" 1
263 1 27 ALA HA 1 53 LEU QB 4.670 . 4.670 4.502 4.072 4.737 0.067 14 0 "[ . 1 . 2 ]" 1
264 1 27 ALA HA 1 53 LEU QD 3.340 . 3.340 2.736 2.248 3.119 . 0 0 "[ . 1 . 2 ]" 1
265 1 27 ALA MB 1 28 ASP H 3.800 . 3.800 2.979 1.791 3.582 0.009 8 0 "[ . 1 . 2 ]" 1
266 1 27 ALA MB 1 29 GLY H 5.020 . 5.020 4.397 3.775 4.874 . 0 0 "[ . 1 . 2 ]" 1
267 1 27 ALA MB 1 30 LYS H 4.380 . 4.380 4.317 3.717 4.969 0.589 18 3 "[ . - 1 *. + 2 ]" 1
268 1 27 ALA MB 1 32 TYR QD 3.870 . 3.870 3.615 2.979 4.040 0.170 1 0 "[ . 1 . 2 ]" 1
269 1 27 ALA MB 1 32 TYR QE 3.120 . 3.120 2.485 2.197 3.168 0.048 6 0 "[ . 1 . 2 ]" 1
270 1 27 ALA MB 1 38 LEU HA 5.040 . 5.040 4.832 3.715 5.180 0.140 4 0 "[ . 1 . 2 ]" 1
271 1 27 ALA MB 1 38 LEU QD 3.140 . 3.140 2.461 2.105 2.806 . 0 0 "[ . 1 . 2 ]" 1
272 1 27 ALA MB 1 41 TYR QD 3.930 . 3.930 3.220 2.556 3.517 . 0 0 "[ . 1 . 2 ]" 1
273 1 27 ALA MB 1 41 TYR QE 3.440 . 3.440 2.958 2.283 3.420 . 0 0 "[ . 1 . 2 ]" 1
274 1 27 ALA MB 1 42 ILE H 5.950 . 5.950 5.701 5.174 5.983 0.033 1 0 "[ . 1 . 2 ]" 1
275 1 27 ALA MB 1 53 LEU HA 4.130 . 4.130 3.810 3.305 4.327 0.197 18 0 "[ . 1 . 2 ]" 1
276 1 27 ALA MB 1 53 LEU QD 2.950 . 2.950 2.424 1.956 3.123 0.173 5 0 "[ . 1 . 2 ]" 1
277 1 28 ASP H 1 29 GLY H 4.030 . 4.030 2.904 2.740 3.505 . 0 0 "[ . 1 . 2 ]" 1
278 1 28 ASP H 1 52 THR H 4.350 . 4.350 3.630 2.597 4.768 0.418 16 0 "[ . 1 . 2 ]" 1
279 1 28 ASP H 1 52 THR HB 4.350 . 4.350 3.768 2.859 4.673 0.323 19 0 "[ . 1 . 2 ]" 1
280 1 28 ASP H 1 53 LEU QD 4.150 . 4.150 3.853 3.002 4.646 0.496 20 0 "[ . 1 . 2 ]" 1
281 1 28 ASP HA 1 52 THR H 4.400 . 4.400 3.351 2.028 4.194 . 0 0 "[ . 1 . 2 ]" 1
282 1 28 ASP HA 1 52 THR HB 3.860 . 3.860 3.292 2.354 4.460 0.600 20 1 "[ . 1 . + ]" 1
283 1 28 ASP HA 1 52 THR HG1 4.170 . 4.170 3.606 2.086 4.238 0.068 5 0 "[ . 1 . 2 ]" 1
284 1 28 ASP QB 1 52 THR HG1 4.990 . 4.990 4.577 3.618 5.029 0.039 11 0 "[ . 1 . 2 ]" 1
285 1 29 GLY H 1 30 LYS H 3.590 . 3.590 2.894 2.254 3.834 0.244 14 0 "[ . 1 . 2 ]" 1
286 1 30 LYS H 1 30 LYS QB 3.190 . 3.190 2.432 2.293 2.693 . 0 0 "[ . 1 . 2 ]" 1
287 1 30 LYS H 1 30 LYS QG 4.400 . 4.400 3.350 2.240 4.167 . 0 0 "[ . 1 . 2 ]" 1
288 1 30 LYS HA 1 30 LYS QG . . 3.500 2.455 2.329 2.965 . 0 0 "[ . 1 . 2 ]" 1
289 1 30 LYS QB 1 32 TYR QD 4.550 . 4.550 4.145 3.503 4.723 0.173 1 0 "[ . 1 . 2 ]" 1
290 1 30 LYS QB 1 32 TYR QE 3.110 . 3.110 2.826 2.248 3.348 0.238 5 0 "[ . 1 . 2 ]" 1
291 1 30 LYS QE 1 32 TYR QE 5.000 . 5.000 4.292 2.674 5.358 0.358 21 0 "[ . 1 . 2 ]" 1
292 1 31 ASN HA 1 32 TYR H 3.510 . 3.510 2.525 2.216 3.375 . 0 0 "[ . 1 . 2 ]" 1
293 1 32 TYR H 1 32 TYR QB 3.920 . 3.920 2.813 2.370 3.339 . 0 0 "[ . 1 . 2 ]" 1
294 1 32 TYR H 1 32 TYR QD 4.500 . 4.500 3.228 2.355 3.557 . 0 0 "[ . 1 . 2 ]" 1
295 1 32 TYR QB 1 38 LEU HA 5.500 . 5.500 3.612 3.044 4.728 . 0 0 "[ . 1 . 2 ]" 1
296 1 32 TYR QB 1 38 LEU QB 4.630 . 4.630 2.579 2.171 3.456 . 0 0 "[ . 1 . 2 ]" 1
297 1 32 TYR QB 1 38 LEU QD 4.550 . 4.550 3.049 2.406 4.234 . 0 0 "[ . 1 . 2 ]" 1
298 1 32 TYR QD 1 37 LYS QB 3.620 . 3.620 2.476 2.280 3.260 . 0 0 "[ . 1 . 2 ]" 1
299 1 32 TYR QD 1 38 LEU HA 4.810 . 4.810 3.504 2.845 3.855 . 0 0 "[ . 1 . 2 ]" 1
300 1 32 TYR QD 1 38 LEU QB 4.390 . 4.390 3.469 2.844 3.802 . 0 0 "[ . 1 . 2 ]" 1
301 1 32 TYR QD 1 38 LEU QD 3.930 . 3.930 2.588 2.347 3.431 . 0 0 "[ . 1 . 2 ]" 1
302 1 32 TYR QE 1 37 LYS QB 3.910 . 3.910 3.815 3.304 4.179 0.269 18 0 "[ . 1 . 2 ]" 1
303 1 32 TYR QE 1 38 LEU HA 4.300 . 4.300 3.932 2.914 4.495 0.195 14 0 "[ . 1 . 2 ]" 1
304 1 32 TYR QE 1 38 LEU QB 5.030 . 5.030 4.780 4.244 5.076 0.046 16 0 "[ . 1 . 2 ]" 1
305 1 32 TYR QE 1 38 LEU QD . . 3.780 3.183 2.557 3.992 0.212 7 0 "[ . 1 . 2 ]" 1
306 1 32 TYR QE 1 41 TYR QB 4.260 . 4.260 3.076 2.317 4.296 0.036 7 0 "[ . 1 . 2 ]" 1
307 1 34 SER HA 1 35 ALA MB 4.130 . 4.130 4.012 3.932 4.141 0.011 1 0 "[ . 1 . 2 ]" 1
308 1 34 SER QB 1 35 ALA MB . . 4.540 4.400 3.779 4.897 0.357 5 0 "[ . 1 . 2 ]" 1
309 1 34 SER QB 1 36 GLU H 4.560 . 4.560 3.084 2.532 3.900 . 0 0 "[ . 1 . 2 ]" 1
310 1 34 SER QB 1 37 LYS QB 3.790 . 3.790 3.201 2.302 3.894 0.104 3 0 "[ . 1 . 2 ]" 1
311 1 34 SER QB 1 37 LYS QD 5.020 . 5.020 3.698 2.332 5.045 0.025 16 0 "[ . 1 . 2 ]" 1
312 1 34 SER QB 1 37 LYS QG . . 4.150 3.020 2.162 4.278 0.128 9 0 "[ . 1 . 2 ]" 1
313 1 35 ALA HA 1 38 LEU H 4.690 . 4.690 3.329 3.224 3.485 . 0 0 "[ . 1 . 2 ]" 1
314 1 35 ALA HA 1 38 LEU QB . . 3.630 2.763 2.508 3.056 . 0 0 "[ . 1 . 2 ]" 1
315 1 35 ALA HA 1 38 LEU QD 4.290 . 4.290 3.621 3.356 3.963 . 0 0 "[ . 1 . 2 ]" 1
316 1 35 ALA MB 1 36 GLU H 3.980 . 3.980 2.613 2.395 2.841 . 0 0 "[ . 1 . 2 ]" 1
317 1 35 ALA MB 1 36 GLU HA 4.870 . 4.870 3.807 3.744 3.889 . 0 0 "[ . 1 . 2 ]" 1
318 1 35 ALA MB 1 38 LEU H 4.770 . 4.770 4.519 4.395 4.699 . 0 0 "[ . 1 . 2 ]" 1
319 1 36 GLU H 1 36 GLU QB 3.500 . 3.500 2.420 2.191 2.674 . 0 0 "[ . 1 . 2 ]" 1
320 1 36 GLU H 1 36 GLU QG 3.670 . 3.670 2.758 1.826 4.032 0.362 21 0 "[ . 1 . 2 ]" 1
321 1 36 GLU H 1 37 LYS H 3.920 . 3.920 2.786 2.675 2.867 . 0 0 "[ . 1 . 2 ]" 1
322 1 36 GLU HA 1 36 GLU QG 3.610 . 3.610 2.666 2.364 3.322 . 0 0 "[ . 1 . 2 ]" 1
323 1 36 GLU HA 1 37 LYS QG 6.100 . 6.100 5.612 5.106 6.590 0.490 19 0 "[ . 1 . 2 ]" 1
324 1 36 GLU HA 1 39 ILE H 4.470 . 4.470 3.721 3.506 3.966 . 0 0 "[ . 1 . 2 ]" 1
325 1 36 GLU HA 1 40 ASP H 4.910 . 4.910 4.117 3.765 4.599 . 0 0 "[ . 1 . 2 ]" 1
326 1 36 GLU QB 1 37 LYS H 4.560 . 4.560 2.707 2.395 3.431 . 0 0 "[ . 1 . 2 ]" 1
327 1 36 GLU QG 1 37 LYS H 4.040 . 4.040 3.445 1.903 3.934 . 0 0 "[ . 1 . 2 ]" 1
328 1 36 GLU QG 1 38 LEU H 5.750 . 5.750 5.306 4.374 5.693 . 0 0 "[ . 1 . 2 ]" 1
329 1 37 LYS H 1 37 LYS QG 4.050 . 4.050 2.796 2.078 4.091 0.041 19 0 "[ . 1 . 2 ]" 1
330 1 37 LYS HA 1 37 LYS QD 3.810 . 3.810 2.329 2.174 2.516 . 0 0 "[ . 1 . 2 ]" 1
331 1 37 LYS HA 1 37 LYS QG 3.960 . 3.960 2.657 2.384 2.943 . 0 0 "[ . 1 . 2 ]" 1
332 1 37 LYS HA 1 40 ASP H 4.570 . 4.570 3.565 3.388 3.746 . 0 0 "[ . 1 . 2 ]" 1
333 1 37 LYS HA 1 40 ASP QB 3.910 . 3.910 2.606 2.387 3.091 . 0 0 "[ . 1 . 2 ]" 1
334 1 37 LYS QB 1 38 LEU H 4.640 . 4.640 2.595 2.421 2.829 . 0 0 "[ . 1 . 2 ]" 1
335 1 37 LYS QD 1 40 ASP H 5.490 . 5.490 5.352 5.125 5.664 0.174 11 0 "[ . 1 . 2 ]" 1
336 1 38 LEU H 1 38 LEU QB 3.710 . 3.710 2.220 2.139 2.261 . 0 0 "[ . 1 . 2 ]" 1
337 1 38 LEU H 1 38 LEU QD . . 3.940 3.738 3.715 3.782 . 0 0 "[ . 1 . 2 ]" 1
338 1 38 LEU H 1 39 ILE H 3.850 . 3.850 2.811 2.708 2.948 . 0 0 "[ . 1 . 2 ]" 1
339 1 38 LEU HA 1 38 LEU QD . . 3.240 2.224 2.181 2.426 . 0 0 "[ . 1 . 2 ]" 1
340 1 38 LEU HA 1 40 ASP H 4.780 . 4.780 4.649 4.528 4.783 0.003 18 0 "[ . 1 . 2 ]" 1
341 1 38 LEU HA 1 41 TYR QB 4.130 . 4.130 2.637 2.397 2.808 . 0 0 "[ . 1 . 2 ]" 1
342 1 38 LEU HA 1 41 TYR QD 4.820 . 4.820 3.951 3.474 4.195 . 0 0 "[ . 1 . 2 ]" 1
343 1 38 LEU HA 1 41 TYR QE 6.240 . 6.240 6.049 5.681 6.234 . 0 0 "[ . 1 . 2 ]" 1
344 1 38 LEU HA 1 42 ILE H 4.410 . 4.410 4.256 3.832 4.499 0.089 12 0 "[ . 1 . 2 ]" 1
345 1 38 LEU QB 1 38 LEU QD . . 2.740 1.963 1.955 1.980 . 0 0 "[ . 1 . 2 ]" 1
346 1 38 LEU QB 1 39 ILE H 4.500 . 4.500 2.475 2.356 2.615 . 0 0 "[ . 1 . 2 ]" 1
347 1 38 LEU QB 1 41 TYR QD 5.620 . 5.620 5.388 5.056 5.519 . 0 0 "[ . 1 . 2 ]" 1
348 1 38 LEU QD 1 39 ILE H 4.720 . 4.720 3.784 3.387 3.987 . 0 0 "[ . 1 . 2 ]" 1
349 1 38 LEU QD 1 41 TYR QB . . 4.100 3.041 2.676 3.353 . 0 0 "[ . 1 . 2 ]" 1
350 1 38 LEU QD 1 41 TYR QD 3.770 . 3.770 2.859 2.576 3.041 . 0 0 "[ . 1 . 2 ]" 1
351 1 38 LEU QD 1 41 TYR QE 4.680 . 4.680 4.401 4.112 4.678 . 0 0 "[ . 1 . 2 ]" 1
352 1 38 LEU QD 1 42 ILE H 4.640 . 4.640 3.795 3.202 4.117 . 0 0 "[ . 1 . 2 ]" 1
353 1 38 LEU QD 1 42 ILE QG 4.330 . 4.330 3.107 2.288 4.523 0.193 8 0 "[ . 1 . 2 ]" 1
354 1 38 LEU HG 1 39 ILE H 4.260 . 4.260 3.688 3.271 4.877 0.617 7 2 "[ . + 1 . - 2 ]" 1
355 1 39 ILE H 1 40 ASP H 3.960 . 3.960 2.730 2.669 2.849 . 0 0 "[ . 1 . 2 ]" 1
356 1 40 ASP H 1 40 ASP QB 3.370 . 3.370 2.371 2.230 2.490 . 0 0 "[ . 1 . 2 ]" 1
357 1 40 ASP H 1 41 TYR H 3.980 . 3.980 2.782 2.618 2.924 . 0 0 "[ . 1 . 2 ]" 1
358 1 40 ASP QB 1 41 TYR H 4.250 . 4.250 2.621 2.439 2.725 . 0 0 "[ . 1 . 2 ]" 1
359 1 41 TYR H 1 41 TYR QB 3.890 . 3.890 2.198 2.142 2.230 . 0 0 "[ . 1 . 2 ]" 1
360 1 41 TYR H 1 42 ILE H 4.100 . 4.100 2.853 2.754 2.959 . 0 0 "[ . 1 . 2 ]" 1
361 1 41 TYR H 1 42 ILE HB 5.230 . 5.230 5.110 4.902 5.349 0.119 7 0 "[ . 1 . 2 ]" 1
362 1 41 TYR HA 1 41 TYR QD 3.720 . 3.720 2.447 2.366 2.553 . 0 0 "[ . 1 . 2 ]" 1
363 1 41 TYR QB 1 42 ILE H 3.960 . 3.960 2.499 2.330 2.613 . 0 0 "[ . 1 . 2 ]" 1
364 1 41 TYR QE 1 51 VAL QG 3.710 . 3.710 3.340 2.359 3.792 0.082 8 0 "[ . 1 . 2 ]" 1
365 1 42 ILE H 1 42 ILE HB 3.630 . 3.630 2.544 2.404 2.603 . 0 0 "[ . 1 . 2 ]" 1
366 1 42 ILE H 1 42 ILE MD 4.100 . 4.100 3.448 2.918 4.317 0.217 7 0 "[ . 1 . 2 ]" 1
367 1 42 ILE H 1 42 ILE QG . . 3.890 2.401 1.943 4.055 0.165 2 0 "[ . 1 . 2 ]" 1
368 1 42 ILE H 1 42 ILE MG 4.300 . 4.300 3.457 1.935 3.799 . 0 0 "[ . 1 . 2 ]" 1
369 1 42 ILE HA 1 42 ILE MD 3.920 . 3.920 3.228 2.195 3.900 . 0 0 "[ . 1 . 2 ]" 1
370 1 42 ILE HA 1 42 ILE QG . . 3.130 2.664 2.324 3.055 . 0 0 "[ . 1 . 2 ]" 1
371 1 42 ILE HA 1 42 ILE MG 3.160 . 3.160 2.543 2.347 3.241 0.081 11 0 "[ . 1 . 2 ]" 1
372 1 42 ILE HA 1 44 SER H 5.030 . 5.030 4.079 3.848 4.314 . 0 0 "[ . 1 . 2 ]" 1
373 1 42 ILE HA 1 45 LYS H 4.660 . 4.660 4.070 3.487 5.130 0.470 8 0 "[ . 1 . 2 ]" 1
374 1 42 ILE HA 1 45 LYS QB 3.970 . 3.970 3.602 2.878 4.195 0.225 14 0 "[ . 1 . 2 ]" 1
375 1 42 ILE HA 1 45 LYS QG 4.460 . 4.460 4.167 2.354 4.812 0.352 16 0 "[ . 1 . 2 ]" 1
376 1 42 ILE HB 1 42 ILE MD 3.050 . 3.050 2.645 2.318 3.260 0.210 5 0 "[ . 1 . 2 ]" 1
377 1 42 ILE HB 1 43 SER H 3.710 . 3.710 2.787 2.358 3.941 0.231 7 0 "[ . 1 . 2 ]" 1
378 1 42 ILE MD 1 43 SER H 4.620 . 4.620 4.506 4.292 4.669 0.049 8 0 "[ . 1 . 2 ]" 1
379 1 42 ILE QG 1 43 SER H 3.980 . 3.980 3.917 3.704 4.092 0.112 18 0 "[ . 1 . 2 ]" 1
380 1 42 ILE MG 1 43 SER H 4.110 . 4.110 3.204 1.904 3.595 . 0 0 "[ . 1 . 2 ]" 1
381 1 42 ILE MG 1 43 SER HA 4.550 . 4.550 4.143 3.135 4.645 0.095 19 0 "[ . 1 . 2 ]" 1
382 1 42 ILE MG 1 43 SER QB 4.630 . 4.630 4.273 2.895 4.807 0.177 15 0 "[ . 1 . 2 ]" 1
383 1 43 SER H 1 43 SER QB 3.380 . 3.380 2.885 2.244 3.363 . 0 0 "[ . 1 . 2 ]" 1
384 1 43 SER H 1 44 SER H 3.840 . 3.840 2.713 2.635 2.806 . 0 0 "[ . 1 . 2 ]" 1
385 1 43 SER H 1 45 LYS H 5.190 . 5.190 4.512 3.981 5.692 0.502 10 1 "[ . + . 2 ]" 1
386 1 44 SER H 1 44 SER QB 3.520 . 3.520 3.007 2.363 3.541 0.021 3 0 "[ . 1 . 2 ]" 1
387 1 44 SER H 1 45 LYS H 3.320 . 3.320 2.766 2.400 3.512 0.192 8 0 "[ . 1 . 2 ]" 1
388 1 44 SER H 1 45 LYS QB 4.820 . 4.820 4.596 4.349 4.805 . 0 0 "[ . 1 . 2 ]" 1
389 1 44 SER H 1 45 LYS QG 4.730 . 4.730 4.149 3.763 4.579 . 0 0 "[ . 1 . 2 ]" 1
390 1 44 SER HA 1 46 LYS H 4.630 . 4.630 4.018 3.597 5.176 0.546 4 1 "[ +. 1 . 2 ]" 1
391 1 44 SER QB 1 45 LYS H 4.690 . 4.690 3.696 3.285 4.012 . 0 0 "[ . 1 . 2 ]" 1
392 1 45 LYS H 1 45 LYS QB 3.340 . 3.340 2.608 2.387 3.187 . 0 0 "[ . 1 . 2 ]" 1
393 1 45 LYS H 1 45 LYS QG . . 3.370 2.579 2.005 3.449 0.079 15 0 "[ . 1 . 2 ]" 1
394 1 45 LYS H 1 46 LYS H 4.810 . 4.810 3.296 2.319 4.300 . 0 0 "[ . 1 . 2 ]" 1
395 1 45 LYS H 1 68 LEU QD 4.650 . 4.650 4.647 4.274 5.232 0.582 8 1 "[ . + 1 . 2 ]" 1
396 1 45 LYS HA 1 45 LYS QG . . 3.340 2.547 2.318 3.401 0.061 14 0 "[ . 1 . 2 ]" 1
397 1 45 LYS HA 1 46 LYS H 3.550 . 3.550 2.676 2.064 2.882 . 0 0 "[ . 1 . 2 ]" 1
398 1 45 LYS HA 1 68 LEU QD 4.800 . 4.800 4.647 3.179 4.951 0.151 3 0 "[ . 1 . 2 ]" 1
399 1 45 LYS QB 1 46 LYS H 3.970 . 3.970 3.931 3.426 4.112 0.142 10 0 "[ . 1 . 2 ]" 1
400 1 45 LYS QB 1 49 ASP QB . . 3.760 3.219 2.423 4.258 0.498 4 0 "[ . 1 . 2 ]" 1
401 1 45 LYS QB 1 68 LEU QD . . 3.580 3.470 1.966 3.679 0.099 3 0 "[ . 1 . 2 ]" 1
402 1 45 LYS QB 1 68 LEU HG 6.250 . 6.250 6.126 2.390 6.514 0.264 20 0 "[ . 1 . 2 ]" 1
403 1 46 LYS H 1 46 LYS QB 3.630 . 3.630 2.464 2.158 3.147 . 0 0 "[ . 1 . 2 ]" 1
404 1 46 LYS H 1 46 LYS QG 4.030 . 4.030 2.619 1.850 4.034 0.004 17 0 "[ . 1 . 2 ]" 1
405 1 46 LYS H 1 49 ASP QB 5.650 . 5.650 5.108 2.978 5.744 0.094 15 0 "[ . 1 . 2 ]" 1
406 1 46 LYS H 1 68 LEU QD 4.830 . 4.830 4.040 3.559 4.183 . 0 0 "[ . 1 . 2 ]" 1
407 1 46 LYS HA 1 46 LYS QG . . 3.340 2.562 2.292 3.443 0.103 1 0 "[ . 1 . 2 ]" 1
408 1 46 LYS HA 1 47 ALA H 3.030 . 3.030 2.368 2.094 2.760 . 0 0 "[ . 1 . 2 ]" 1
409 1 46 LYS HA 1 47 ALA MB 4.450 . 4.450 4.230 4.039 4.341 . 0 0 "[ . 1 . 2 ]" 1
410 1 46 LYS HA 1 68 LEU QB 4.680 . 4.680 2.333 2.104 4.834 0.154 4 0 "[ . 1 . 2 ]" 1
411 1 46 LYS HA 1 68 LEU QD 4.850 . 4.850 2.227 2.071 4.088 . 0 0 "[ . 1 . 2 ]" 1
412 1 46 LYS QB 1 47 ALA H 3.180 . 3.180 2.677 1.865 3.763 0.583 17 1 "[ . 1 . + 2 ]" 1
413 1 46 LYS QB 1 47 ALA MB 3.760 . 3.760 3.442 3.142 4.204 0.444 12 0 "[ . 1 . 2 ]" 1
414 1 46 LYS QB 1 68 LEU HA 5.510 . 5.510 4.757 4.059 6.509 0.999 4 1 "[ +. 1 . 2 ]" 1
415 1 46 LYS QB 1 68 LEU QD 3.540 . 3.540 3.307 2.130 4.174 0.634 4 1 "[ +. 1 . 2 ]" 1
416 1 46 LYS QE 1 46 LYS QG . . 3.360 2.296 2.138 2.646 . 0 0 "[ . 1 . 2 ]" 1
417 1 46 LYS QG 1 79 GLY QA 4.810 . 4.810 4.296 3.515 5.303 0.493 4 0 "[ . 1 . 2 ]" 1
418 1 47 ALA H 1 47 ALA MB 3.080 . 3.080 2.946 2.362 3.204 0.124 19 0 "[ . 1 . 2 ]" 1
419 1 47 ALA H 1 49 ASP QB 5.220 . 5.220 4.595 3.347 5.295 0.075 20 0 "[ . 1 . 2 ]" 1
420 1 47 ALA H 1 68 LEU QD 4.550 . 4.550 3.309 2.684 4.573 0.023 4 0 "[ . 1 . 2 ]" 1
421 1 47 ALA HA 1 48 GLY H 3.340 . 3.340 2.283 2.101 3.496 0.156 17 0 "[ . 1 . 2 ]" 1
422 1 47 ALA HA 1 68 LEU H 5.620 . 5.620 4.964 4.439 5.787 0.167 21 0 "[ . 1 . 2 ]" 1
423 1 47 ALA HA 1 68 LEU QB 3.400 . 3.400 3.372 2.418 3.692 0.292 21 0 "[ . 1 . 2 ]" 1
424 1 47 ALA HA 1 68 LEU QD 4.790 . 4.790 4.680 3.053 5.008 0.218 1 0 "[ . 1 . 2 ]" 1
425 1 47 ALA HA 1 69 LYS H 4.770 . 4.770 4.375 2.113 4.841 0.071 19 0 "[ . 1 . 2 ]" 1
426 1 47 ALA HA 1 69 LYS HA 4.200 . 4.200 3.191 2.341 4.479 0.279 15 0 "[ . 1 . 2 ]" 1
427 1 47 ALA MB 1 48 GLY H 3.600 . 3.600 3.378 1.970 3.657 0.057 14 0 "[ . 1 . 2 ]" 1
428 1 47 ALA MB 1 68 LEU QD 4.870 . 4.870 4.797 4.100 4.979 0.109 1 0 "[ . 1 . 2 ]" 1
429 1 47 ALA MB 1 69 LYS HA 4.410 . 4.410 3.597 2.844 4.278 . 0 0 "[ . 1 . 2 ]" 1
430 1 47 ALA MB 1 69 LYS QD 6.170 . 6.170 4.531 3.714 5.041 . 0 0 "[ . 1 . 2 ]" 1
431 1 47 ALA MB 1 69 LYS QG 5.160 . 5.160 4.885 3.050 5.533 0.373 4 0 "[ . 1 . 2 ]" 1
432 1 47 ALA MB 1 70 GLN H 3.860 . 3.860 3.700 3.197 3.997 0.137 4 0 "[ . 1 . 2 ]" 1
433 1 47 ALA MB 1 70 GLN QB 4.150 . 4.150 2.487 2.095 4.618 0.468 15 0 "[ . 1 . 2 ]" 1
434 1 47 ALA MB 1 70 GLN QG . . 3.970 2.802 2.274 4.126 0.156 15 0 "[ . 1 . 2 ]" 1
435 1 48 GLY H 1 68 LEU H 4.750 . 4.750 4.197 3.644 5.315 0.565 17 1 "[ . 1 . + 2 ]" 1
436 1 48 GLY H 1 68 LEU QB 3.890 . 3.890 3.511 1.864 3.952 0.062 17 0 "[ . 1 . 2 ]" 1
437 1 48 GLY H 1 68 LEU QD 4.880 . 4.880 4.594 3.448 4.974 0.094 9 0 "[ . 1 . 2 ]" 1
438 1 48 GLY QA 1 67 THR HG1 3.700 . 3.700 3.248 2.179 3.767 0.067 8 0 "[ . 1 . 2 ]" 1
439 1 48 GLY QA 1 68 LEU H 5.920 . 5.920 5.126 3.653 5.856 . 0 0 "[ . 1 . 2 ]" 1
440 1 49 ASP H 1 49 ASP QB . . 3.050 2.389 2.245 2.753 . 0 0 "[ . 1 . 2 ]" 1
441 1 49 ASP H 1 50 LYS H 4.640 . 4.640 4.612 4.202 4.671 0.031 4 0 "[ . 1 . 2 ]" 1
442 1 49 ASP H 1 68 LEU H 5.130 . 5.130 4.931 3.838 5.341 0.211 9 0 "[ . 1 . 2 ]" 1
443 1 49 ASP H 1 68 LEU QB 4.070 . 4.070 3.829 2.267 4.164 0.094 11 0 "[ . 1 . 2 ]" 1
444 1 49 ASP H 1 68 LEU QD 4.050 . 4.050 3.780 3.054 4.351 0.301 11 0 "[ . 1 . 2 ]" 1
445 1 49 ASP HA 1 50 LYS H 3.060 . 3.060 2.287 2.122 2.626 . 0 0 "[ . 1 . 2 ]" 1
446 1 49 ASP QB 1 50 LYS H . . 3.370 3.128 2.467 3.695 0.325 2 0 "[ . 1 . 2 ]" 1
447 1 50 LYS H 1 50 LYS QB 3.300 . 3.300 2.474 2.298 2.714 . 0 0 "[ . 1 . 2 ]" 1
448 1 50 LYS H 1 50 LYS QG 3.550 . 3.550 3.084 2.495 4.073 0.523 4 1 "[ +. 1 . 2 ]" 1
449 1 50 LYS H 1 68 LEU QD 4.600 . 4.600 4.279 3.232 4.672 0.072 2 0 "[ . 1 . 2 ]" 1
450 1 50 LYS HA 1 50 LYS QD 4.060 . 4.060 3.977 3.926 4.174 0.114 16 0 "[ . 1 . 2 ]" 1
451 1 50 LYS HA 1 50 LYS QG 3.370 . 3.370 2.357 2.262 2.407 . 0 0 "[ . 1 . 2 ]" 1
452 1 50 LYS HA 1 51 VAL H 3.080 . 3.080 2.289 2.196 2.517 . 0 0 "[ . 1 . 2 ]" 1
453 1 50 LYS HA 1 67 THR HA 3.150 . 3.150 2.991 2.553 3.152 0.002 11 0 "[ . 1 . 2 ]" 1
454 1 50 LYS HA 1 67 THR HB 6.050 . 6.050 5.535 4.810 6.110 0.060 15 0 "[ . 1 . 2 ]" 1
455 1 50 LYS HA 1 67 THR HG1 3.930 . 3.930 3.797 3.263 4.102 0.172 4 0 "[ . 1 . 2 ]" 1
456 1 50 LYS HA 1 68 LEU H 4.070 . 4.070 3.140 2.656 3.591 . 0 0 "[ . 1 . 2 ]" 1
457 1 50 LYS HA 1 68 LEU QD 4.310 . 4.310 3.300 2.143 3.764 . 0 0 "[ . 1 . 2 ]" 1
458 1 50 LYS QB 1 51 VAL H 3.530 . 3.530 2.857 2.080 3.556 0.026 4 0 "[ . 1 . 2 ]" 1
459 1 50 LYS QB 1 67 THR HA 4.400 . 4.400 3.946 3.464 4.250 . 0 0 "[ . 1 . 2 ]" 1
460 1 50 LYS QD 1 65 THR HB 5.490 . 5.490 5.104 2.578 5.659 0.169 19 0 "[ . 1 . 2 ]" 1
461 1 50 LYS QD 1 65 THR HG1 3.160 . 3.160 2.937 2.111 3.398 0.238 16 0 "[ . 1 . 2 ]" 1
462 1 50 LYS QD 1 67 THR HA 4.610 . 4.610 4.279 3.864 4.635 0.025 17 0 "[ . 1 . 2 ]" 1
463 1 50 LYS QD 1 67 THR HB 6.000 . 6.000 5.363 4.251 6.209 0.209 16 0 "[ . 1 . 2 ]" 1
464 1 50 LYS QE 1 65 THR HG1 4.310 . 4.310 4.006 2.239 4.454 0.144 14 0 "[ . 1 . 2 ]" 1
465 1 50 LYS QE 1 67 THR HG1 4.670 . 4.670 3.809 2.021 4.903 0.233 5 0 "[ . 1 . 2 ]" 1
466 1 50 LYS QG 1 51 VAL H 4.500 . 4.500 3.405 1.847 4.054 . 0 0 "[ . 1 . 2 ]" 1
467 1 50 LYS QG 1 67 THR HA 3.980 . 3.980 2.611 2.338 3.489 . 0 0 "[ . 1 . 2 ]" 1
468 1 51 VAL H 1 51 VAL HB 3.980 . 3.980 3.458 2.912 3.942 . 0 0 "[ . 1 . 2 ]" 1
469 1 51 VAL H 1 51 VAL QG 3.670 . 3.670 2.526 2.201 3.070 . 0 0 "[ . 1 . 2 ]" 1
470 1 51 VAL H 1 52 THR HG1 4.940 . 4.940 4.894 4.483 5.311 0.371 20 0 "[ . 1 . 2 ]" 1
471 1 51 VAL H 1 66 LEU H 4.610 . 4.610 4.494 3.755 4.806 0.196 5 0 "[ . 1 . 2 ]" 1
472 1 51 VAL H 1 67 THR HA 4.460 . 4.460 4.336 3.794 4.548 0.088 15 0 "[ . 1 . 2 ]" 1
473 1 51 VAL H 1 68 LEU QD 4.170 . 4.170 3.505 2.440 3.929 . 0 0 "[ . 1 . 2 ]" 1
474 1 51 VAL HA 1 51 VAL QG 3.150 . 3.150 2.273 2.120 2.377 . 0 0 "[ . 1 . 2 ]" 1
475 1 51 VAL HA 1 52 THR H 3.110 . 3.110 2.310 2.203 2.421 . 0 0 "[ . 1 . 2 ]" 1
476 1 51 VAL HB 1 52 THR H 4.220 . 4.220 3.672 2.528 4.064 . 0 0 "[ . 1 . 2 ]" 1
477 1 51 VAL QG 1 52 THR H 3.780 . 3.780 2.263 1.788 3.422 0.012 9 0 "[ . 1 . 2 ]" 1
478 1 52 THR H 1 52 THR HB 3.690 . 3.690 2.705 2.502 3.686 . 0 0 "[ . 1 . 2 ]" 1
479 1 52 THR H 1 52 THR HG1 3.960 . 3.960 2.416 1.919 3.198 . 0 0 "[ . 1 . 2 ]" 1
480 1 52 THR HA 1 52 THR HG1 2.980 . 2.980 2.260 2.091 2.441 . 0 0 "[ . 1 . 2 ]" 1
481 1 52 THR HA 1 53 LEU H 3.130 . 3.130 2.192 2.149 2.244 . 0 0 "[ . 1 . 2 ]" 1
482 1 52 THR HB 1 53 LEU H 4.890 . 4.890 4.222 3.680 4.522 . 0 0 "[ . 1 . 2 ]" 1
483 1 52 THR HG1 1 53 LEU H 3.700 . 3.700 2.989 2.588 3.765 0.065 21 0 "[ . 1 . 2 ]" 1
484 1 52 THR HG1 1 54 LYS H 4.450 . 4.450 4.278 3.738 4.635 0.185 5 0 "[ . 1 . 2 ]" 1
485 1 53 LEU H 1 53 LEU QB . . 3.390 2.505 2.361 2.597 . 0 0 "[ . 1 . 2 ]" 1
486 1 53 LEU H 1 53 LEU QD 3.820 . 3.820 3.500 2.657 3.986 0.166 17 0 "[ . 1 . 2 ]" 1
487 1 53 LEU H 1 64 VAL H 4.960 . 4.960 4.743 4.240 4.970 0.010 14 0 "[ . 1 . 2 ]" 1
488 1 53 LEU HA 1 53 LEU QD 2.840 . 2.840 2.206 2.064 2.352 . 0 0 "[ . 1 . 2 ]" 1
489 1 53 LEU HA 1 54 LYS H 3.170 . 3.170 2.144 2.094 2.188 . 0 0 "[ . 1 . 2 ]" 1
490 1 53 LEU QB 1 53 LEU QD 2.740 . 2.740 1.963 1.950 2.056 . 0 0 "[ . 1 . 2 ]" 1
491 1 53 LEU QB 1 54 LYS H 3.790 . 3.790 3.535 2.821 3.867 0.077 1 0 "[ . 1 . 2 ]" 1
492 1 53 LEU QD 1 54 LYS H 3.740 . 3.740 3.381 2.604 3.977 0.237 12 0 "[ . 1 . 2 ]" 1
493 1 54 LYS H 1 54 LYS QB 3.820 . 3.820 2.404 2.209 2.531 . 0 0 "[ . 1 . 2 ]" 1
494 1 54 LYS H 1 55 ILE H 4.600 . 4.600 4.507 4.382 4.565 . 0 0 "[ . 1 . 2 ]" 1
495 1 54 LYS HA 1 54 LYS QG . . 3.320 2.488 2.369 3.075 . 0 0 "[ . 1 . 2 ]" 1
496 1 54 LYS HA 1 55 ILE H 3.170 . 3.170 2.195 2.146 2.313 . 0 0 "[ . 1 . 2 ]" 1
497 1 54 LYS HA 1 55 ILE HA 4.490 . 4.490 4.491 4.453 4.511 0.021 9 0 "[ . 1 . 2 ]" 1
498 1 54 LYS HA 1 55 ILE MD 5.970 . 5.970 4.515 4.169 5.157 . 0 0 "[ . 1 . 2 ]" 1
499 1 54 LYS HA 1 55 ILE MG 5.650 . 5.650 5.477 5.444 5.512 . 0 0 "[ . 1 . 2 ]" 1
500 1 54 LYS QB 1 55 ILE H 3.840 . 3.840 3.138 2.766 3.847 0.007 12 0 "[ . 1 . 2 ]" 1
501 1 55 ILE H 1 55 ILE HB 3.940 . 3.940 2.639 2.543 2.773 . 0 0 "[ . 1 . 2 ]" 1
502 1 55 ILE H 1 55 ILE MD 4.220 . 4.220 3.815 3.515 4.412 0.192 3 0 "[ . 1 . 2 ]" 1
503 1 55 ILE H 1 55 ILE QG . . 3.350 2.828 2.646 3.082 . 0 0 "[ . 1 . 2 ]" 1
504 1 55 ILE H 1 55 ILE MG 3.880 . 3.880 3.874 3.819 3.922 0.042 3 0 "[ . 1 . 2 ]" 1
505 1 55 ILE HA 1 55 ILE MD 3.710 . 3.710 2.430 2.123 3.800 0.090 18 0 "[ . 1 . 2 ]" 1
506 1 55 ILE HA 1 55 ILE MG 3.270 . 3.270 2.383 2.338 2.448 . 0 0 "[ . 1 . 2 ]" 1
507 1 55 ILE HA 1 56 GLU H 3.340 . 3.340 2.268 2.172 2.356 . 0 0 "[ . 1 . 2 ]" 1
508 1 55 ILE HB 1 55 ILE MD 3.260 . 3.260 3.142 2.361 3.272 0.012 7 0 "[ . 1 . 2 ]" 1
509 1 55 ILE HB 1 56 GLU H 3.910 . 3.910 3.728 3.566 3.896 . 0 0 "[ . 1 . 2 ]" 1
510 1 55 ILE MD 1 56 GLU HA 6.000 . 6.000 5.844 5.713 6.269 0.269 3 0 "[ . 1 . 2 ]" 1
511 1 55 ILE MD 1 57 ARG QD 5.430 . 5.430 5.166 4.080 5.542 0.112 9 0 "[ . 1 . 2 ]" 1
512 1 55 ILE MD 1 62 LYS QB 6.130 . 6.130 5.874 4.906 6.456 0.326 12 0 "[ . 1 . 2 ]" 1
513 1 55 ILE QG 1 55 ILE MG . . 2.810 2.324 2.261 2.483 . 0 0 "[ . 1 . 2 ]" 1
514 1 55 ILE QG 1 56 GLU H 4.470 . 4.470 4.346 3.773 4.525 0.055 5 0 "[ . 1 . 2 ]" 1
515 1 55 ILE MG 1 56 GLU H 3.590 . 3.590 2.026 1.763 2.222 0.037 18 0 "[ . 1 . 2 ]" 1
516 1 55 ILE MG 1 56 GLU HA 4.420 . 4.420 3.705 3.543 3.839 . 0 0 "[ . 1 . 2 ]" 1
517 1 55 ILE MG 1 57 ARG H 4.360 . 4.360 4.212 4.098 4.301 . 0 0 "[ . 1 . 2 ]" 1
518 1 55 ILE MG 1 57 ARG HE 4.920 . 4.920 4.867 4.273 5.174 0.254 8 0 "[ . 1 . 2 ]" 1
519 1 55 ILE MG 1 61 GLU HA 5.030 . 5.030 4.895 4.587 5.280 0.250 8 0 "[ . 1 . 2 ]" 1
520 1 56 GLU H 1 57 ARG H 4.710 . 4.710 4.371 4.312 4.447 . 0 0 "[ . 1 . 2 ]" 1
521 1 56 GLU HA 1 56 GLU QG 3.920 . 3.920 2.456 2.352 3.336 . 0 0 "[ . 1 . 2 ]" 1
522 1 56 GLU HA 1 57 ARG H 3.120 . 3.120 2.163 2.132 2.190 . 0 0 "[ . 1 . 2 ]" 1
523 1 56 GLU HA 1 60 LYS H 4.520 . 4.520 4.025 3.587 4.721 0.201 13 0 "[ . 1 . 2 ]" 1
524 1 56 GLU HA 1 60 LYS QB 5.180 . 5.180 5.013 4.219 5.325 0.145 16 0 "[ . 1 . 2 ]" 1
525 1 56 GLU HA 1 61 GLU HA 3.380 . 3.380 3.000 2.447 3.356 . 0 0 "[ . 1 . 2 ]" 1
526 1 56 GLU QG 1 58 GLU H 5.240 . 5.240 4.206 3.419 5.329 0.089 2 0 "[ . 1 . 2 ]" 1
527 1 57 ARG H 1 57 ARG QG 3.810 . 3.810 2.970 2.853 3.071 . 0 0 "[ . 1 . 2 ]" 1
528 1 57 ARG H 1 58 GLU H 4.200 . 4.200 4.086 3.821 4.233 0.033 13 0 "[ . 1 . 2 ]" 1
529 1 57 ARG H 1 60 LYS H 3.800 . 3.800 2.516 2.290 3.112 . 0 0 "[ . 1 . 2 ]" 1
530 1 57 ARG H 1 60 LYS QB 3.710 . 3.710 3.512 2.680 3.895 0.185 16 0 "[ . 1 . 2 ]" 1
531 1 57 ARG H 1 61 GLU HA 4.280 . 4.280 3.737 3.325 4.223 . 0 0 "[ . 1 . 2 ]" 1
532 1 57 ARG HA 1 57 ARG QD 4.720 . 4.720 4.217 3.924 4.250 . 0 0 "[ . 1 . 2 ]" 1
533 1 57 ARG HA 1 58 GLU H 3.440 . 3.440 2.154 2.124 2.196 . 0 0 "[ . 1 . 2 ]" 1
534 1 57 ARG QB 1 57 ARG QD 3.190 . 3.190 2.338 2.305 2.354 . 0 0 "[ . 1 . 2 ]" 1
535 1 57 ARG QB 1 57 ARG HE 3.600 . 3.600 2.202 2.088 2.550 . 0 0 "[ . 1 . 2 ]" 1
536 1 57 ARG QB 1 58 GLU H 4.050 . 4.050 3.371 3.120 3.680 . 0 0 "[ . 1 . 2 ]" 1
537 1 57 ARG QD 1 62 LYS QB 5.570 . 5.570 4.222 3.592 4.863 . 0 0 "[ . 1 . 2 ]" 1
538 1 57 ARG QD 1 62 LYS QG 4.810 . 4.810 3.807 3.226 4.366 . 0 0 "[ . 1 . 2 ]" 1
539 1 58 GLU H 1 58 GLU QG 3.770 . 3.770 2.910 2.426 4.010 0.240 19 0 "[ . 1 . 2 ]" 1
540 1 58 GLU H 1 59 GLU H 4.220 . 4.220 2.995 2.904 3.061 . 0 0 "[ . 1 . 2 ]" 1
541 1 58 GLU HA 1 58 GLU QG 3.260 . 3.260 2.447 2.321 2.925 . 0 0 "[ . 1 . 2 ]" 1
542 1 58 GLU QG 1 59 GLU H 4.680 . 4.680 4.511 4.227 4.781 0.101 1 0 "[ . 1 . 2 ]" 1
543 1 59 GLU H 1 59 GLU QB 3.550 . 3.550 3.227 2.966 3.454 . 0 0 "[ . 1 . 2 ]" 1
544 1 59 GLU H 1 60 LYS H 3.230 . 3.230 2.645 2.526 2.737 . 0 0 "[ . 1 . 2 ]" 1
545 1 59 GLU H 1 60 LYS QG 4.770 . 4.770 4.442 4.170 4.941 0.171 16 0 "[ . 1 . 2 ]" 1
546 1 59 GLU QB 1 60 LYS H 3.890 . 3.890 3.856 3.637 3.955 0.065 20 0 "[ . 1 . 2 ]" 1
547 1 60 LYS H 1 60 LYS QB 3.050 . 3.050 2.704 2.475 2.825 . 0 0 "[ . 1 . 2 ]" 1
548 1 60 LYS H 1 60 LYS QG . . 3.720 2.899 2.582 3.080 . 0 0 "[ . 1 . 2 ]" 1
549 1 60 LYS H 1 61 GLU H 4.820 . 4.820 4.331 3.956 4.529 . 0 0 "[ . 1 . 2 ]" 1
550 1 60 LYS HA 1 60 LYS QB 2.780 . 2.780 2.350 2.192 2.388 . 0 0 "[ . 1 . 2 ]" 1
551 1 60 LYS HA 1 60 LYS QG 3.070 . 3.070 2.574 2.367 3.276 0.206 16 0 "[ . 1 . 2 ]" 1
552 1 60 LYS HA 1 61 GLU H 2.900 . 2.900 2.234 2.127 2.496 . 0 0 "[ . 1 . 2 ]" 1
553 1 60 LYS QB 1 61 GLU H 4.260 . 4.260 2.914 2.455 3.606 . 0 0 "[ . 1 . 2 ]" 1
554 1 61 GLU H 1 61 GLU QB 3.650 . 3.650 2.682 2.385 3.218 . 0 0 "[ . 1 . 2 ]" 1
555 1 61 GLU H 1 61 GLU QG 4.320 . 4.320 2.610 1.825 4.121 . 0 0 "[ . 1 . 2 ]" 1
556 1 61 GLU HA 1 61 GLU QG 3.640 . 3.640 2.805 2.344 3.521 . 0 0 "[ . 1 . 2 ]" 1
557 1 61 GLU HA 1 62 LYS H 3.060 . 3.060 2.238 2.177 2.339 . 0 0 "[ . 1 . 2 ]" 1
558 1 61 GLU HA 1 62 LYS QG 4.410 . 4.410 3.563 3.474 3.716 . 0 0 "[ . 1 . 2 ]" 1
559 1 61 GLU QB 1 62 LYS H 4.340 . 4.340 2.869 2.534 3.584 . 0 0 "[ . 1 . 2 ]" 1
560 1 62 LYS H 1 62 LYS QG 3.870 . 3.870 2.890 1.973 3.111 . 0 0 "[ . 1 . 2 ]" 1
561 1 62 LYS H 1 63 ARG H 4.500 . 4.500 4.390 4.100 4.486 . 0 0 "[ . 1 . 2 ]" 1
562 1 62 LYS HA 1 63 ARG H 2.770 . 2.770 2.223 2.149 2.275 . 0 0 "[ . 1 . 2 ]" 1
563 1 63 ARG H 1 63 ARG QB 3.640 . 3.640 2.613 2.394 3.091 . 0 0 "[ . 1 . 2 ]" 1
564 1 63 ARG H 1 63 ARG QD 4.760 . 4.760 4.494 3.801 4.937 0.177 20 0 "[ . 1 . 2 ]" 1
565 1 63 ARG H 1 64 VAL H 4.360 . 4.360 4.275 4.136 4.463 0.103 4 0 "[ . 1 . 2 ]" 1
566 1 63 ARG H 1 64 VAL QG 4.520 . 4.520 3.629 3.195 4.512 . 0 0 "[ . 1 . 2 ]" 1
567 1 63 ARG HA 1 63 ARG QD 4.990 . 4.990 4.109 3.955 4.545 . 0 0 "[ . 1 . 2 ]" 1
568 1 63 ARG HA 1 64 VAL H 2.780 . 2.780 2.151 2.128 2.189 . 0 0 "[ . 1 . 2 ]" 1
569 1 63 ARG HA 1 64 VAL QG . . 4.310 3.512 3.195 3.706 . 0 0 "[ . 1 . 2 ]" 1
570 1 63 ARG QB 1 63 ARG QD 3.310 . 3.310 2.247 2.137 2.341 . 0 0 "[ . 1 . 2 ]" 1
571 1 63 ARG QB 1 64 VAL H 3.740 . 3.740 3.524 3.091 3.876 0.136 16 0 "[ . 1 . 2 ]" 1
572 1 64 VAL H 1 64 VAL HB 3.890 . 3.890 3.104 2.779 3.919 0.029 21 0 "[ . 1 . 2 ]" 1
573 1 64 VAL H 1 64 VAL QG . . 3.420 2.625 2.065 2.866 . 0 0 "[ . 1 . 2 ]" 1
574 1 64 VAL H 1 65 THR H 4.360 . 4.360 4.322 4.248 4.390 0.030 8 0 "[ . 1 . 2 ]" 1
575 1 64 VAL HA 1 64 VAL QG . . 2.880 2.186 2.110 2.373 . 0 0 "[ . 1 . 2 ]" 1
576 1 64 VAL HA 1 65 THR H 3.090 . 3.090 2.212 2.117 2.298 . 0 0 "[ . 1 . 2 ]" 1
577 1 64 VAL HA 1 66 LEU QD 5.470 . 5.470 4.910 4.387 5.968 0.498 4 0 "[ . 1 . 2 ]" 1
578 1 64 VAL HB 1 65 THR H 4.280 . 4.280 3.849 2.753 4.135 . 0 0 "[ . 1 . 2 ]" 1
579 1 64 VAL HB 1 65 THR HA 5.360 . 5.360 5.097 4.624 5.907 0.547 16 3 "[ . 1 * .+- 2 ]" 1
580 1 64 VAL HB 1 66 LEU QD 4.080 . 4.080 3.675 2.594 4.527 0.447 4 0 "[ . 1 . 2 ]" 1
581 1 64 VAL QG 1 65 THR H . . 3.710 2.539 2.088 3.544 . 0 0 "[ . 1 . 2 ]" 1
582 1 64 VAL QG 1 65 THR HB 5.830 . 5.830 4.553 3.932 5.372 . 0 0 "[ . 1 . 2 ]" 1
583 1 65 THR H 1 65 THR HB 3.590 . 3.590 2.852 2.519 3.716 0.126 16 0 "[ . 1 . 2 ]" 1
584 1 65 THR H 1 65 THR HG1 4.130 . 4.130 2.484 1.792 3.453 0.008 2 0 "[ . 1 . 2 ]" 1
585 1 65 THR H 1 66 LEU H 4.440 . 4.440 4.338 4.175 4.412 . 0 0 "[ . 1 . 2 ]" 1
586 1 65 THR HA 1 65 THR HG1 2.910 . 2.910 2.425 2.085 2.876 . 0 0 "[ . 1 . 2 ]" 1
587 1 65 THR HA 1 66 LEU H 3.060 . 3.060 2.148 2.104 2.177 . 0 0 "[ . 1 . 2 ]" 1
588 1 65 THR HA 1 66 LEU QB 4.490 . 4.490 4.317 4.087 4.677 0.187 5 0 "[ . 1 . 2 ]" 1
589 1 65 THR HA 1 66 LEU QD 4.920 . 4.920 4.210 3.009 5.164 0.244 4 0 "[ . 1 . 2 ]" 1
590 1 65 THR HG1 1 66 LEU H 3.530 . 3.530 3.144 2.859 3.753 0.223 16 0 "[ . 1 . 2 ]" 1
591 1 66 LEU H 1 66 LEU QB 3.290 . 3.290 2.806 2.583 3.251 . 0 0 "[ . 1 . 2 ]" 1
592 1 66 LEU H 1 66 LEU QD 3.740 . 3.740 3.289 1.754 3.967 0.227 4 0 "[ . 1 . 2 ]" 1
593 1 66 LEU H 1 67 THR H 4.940 . 4.940 4.419 4.366 4.451 . 0 0 "[ . 1 . 2 ]" 1
594 1 66 LEU HA 1 66 LEU QD . . 3.080 2.606 2.024 3.485 0.405 3 0 "[ . 1 . 2 ]" 1
595 1 66 LEU HA 1 67 THR H 3.210 . 3.210 2.348 2.228 2.423 . 0 0 "[ . 1 . 2 ]" 1
596 1 66 LEU QB 1 66 LEU QD 2.320 . 2.320 1.970 1.930 2.058 . 0 0 "[ . 1 . 2 ]" 1
597 1 66 LEU QB 1 67 THR H 3.830 . 3.830 2.705 2.303 3.446 . 0 0 "[ . 1 . 2 ]" 1
598 1 66 LEU QD 1 67 THR H 3.720 . 3.720 2.878 1.774 3.699 0.026 1 0 "[ . 1 . 2 ]" 1
599 1 67 THR H 1 67 THR HB 3.360 . 3.360 2.730 2.466 3.625 0.265 4 0 "[ . 1 . 2 ]" 1
600 1 67 THR H 1 67 THR HG1 3.700 . 3.700 2.459 1.799 3.412 0.001 19 0 "[ . 1 . 2 ]" 1
601 1 67 THR HA 1 67 THR HG1 3.130 . 3.130 2.193 2.052 2.367 . 0 0 "[ . 1 . 2 ]" 1
602 1 67 THR HA 1 68 LEU H 3.160 . 3.160 2.198 2.140 2.256 . 0 0 "[ . 1 . 2 ]" 1
603 1 67 THR HA 1 68 LEU QD 5.410 . 5.410 3.965 2.847 4.578 . 0 0 "[ . 1 . 2 ]" 1
604 1 67 THR HG1 1 68 LEU H 3.800 . 3.800 2.551 2.286 3.526 . 0 0 "[ . 1 . 2 ]" 1
605 1 67 THR HG1 1 68 LEU QD 4.280 . 4.280 4.102 3.315 4.621 0.341 4 0 "[ . 1 . 2 ]" 1
606 1 68 LEU H 1 68 LEU QB 3.360 . 3.360 2.418 2.047 2.555 . 0 0 "[ . 1 . 2 ]" 1
607 1 68 LEU H 1 68 LEU QD . . 3.300 2.789 1.735 3.283 0.065 19 0 "[ . 1 . 2 ]" 1
608 1 68 LEU H 1 69 LYS H 4.670 . 4.670 4.573 3.352 4.680 0.010 12 0 "[ . 1 . 2 ]" 1
609 1 68 LEU HA 1 68 LEU QD . . 3.340 2.234 2.045 2.677 . 0 0 "[ . 1 . 2 ]" 1
610 1 68 LEU HA 1 68 LEU HG 3.530 . 3.530 2.939 2.482 3.568 0.038 4 0 "[ . 1 . 2 ]" 1
611 1 68 LEU HA 1 69 LYS H 3.190 . 3.190 2.467 2.222 3.531 0.341 15 0 "[ . 1 . 2 ]" 1
612 1 68 LEU QB 1 69 LYS H 3.710 . 3.710 2.422 2.067 3.295 . 0 0 "[ . 1 . 2 ]" 1
613 1 68 LEU QB 1 69 LYS HA 5.310 . 5.310 4.091 3.888 4.417 . 0 0 "[ . 1 . 2 ]" 1
614 1 68 LEU QD 1 69 LYS H . . 3.960 3.332 1.914 3.974 0.014 19 0 "[ . 1 . 2 ]" 1
615 1 69 LYS H 1 69 LYS QB 3.620 . 3.620 2.653 2.393 2.808 . 0 0 "[ . 1 . 2 ]" 1
616 1 69 LYS HA 1 70 GLN H 3.020 . 3.020 2.385 2.145 2.554 . 0 0 "[ . 1 . 2 ]" 1
617 1 69 LYS QB 1 69 LYS QE 4.340 . 4.340 3.748 3.680 3.875 . 0 0 "[ . 1 . 2 ]" 1
618 1 69 LYS QB 1 70 GLN H 3.530 . 3.530 2.789 2.147 3.439 . 0 0 "[ . 1 . 2 ]" 1
619 1 69 LYS QG 1 70 GLN H 4.660 . 4.660 2.943 1.808 4.164 . 0 0 "[ . 1 . 2 ]" 1
620 1 70 GLN H 1 70 GLN QB 3.140 . 3.140 3.024 2.666 3.131 . 0 0 "[ . 1 . 2 ]" 1
621 1 70 GLN H 1 70 GLN QG 4.250 . 4.250 2.128 1.873 3.139 . 0 0 "[ . 1 . 2 ]" 1
622 1 70 GLN HA 1 70 GLN QG 3.740 . 3.740 3.296 2.387 3.549 . 0 0 "[ . 1 . 2 ]" 1
623 1 70 GLN HA 1 71 PHE H 3.210 . 3.210 2.182 2.124 2.230 . 0 0 "[ . 1 . 2 ]" 1
624 1 70 GLN HA 1 71 PHE QD 4.950 . 4.950 4.122 3.633 4.533 . 0 0 "[ . 1 . 2 ]" 1
625 1 70 GLN HA 1 78 ALA HA 3.740 . 3.740 3.595 3.118 3.876 0.136 10 0 "[ . 1 . 2 ]" 1
626 1 70 GLN HA 1 78 ALA MB 3.750 . 3.750 3.215 2.564 3.731 . 0 0 "[ . 1 . 2 ]" 1
627 1 70 GLN HA 1 79 GLY H 5.050 . 5.050 4.000 3.079 4.664 . 0 0 "[ . 1 . 2 ]" 1
628 1 70 GLN QB 1 71 PHE H 3.670 . 3.670 2.860 2.737 3.008 . 0 0 "[ . 1 . 2 ]" 1
629 1 70 GLN QB 1 75 PRO HA 3.880 . 3.880 3.221 2.689 3.762 . 0 0 "[ . 1 . 2 ]" 1
630 1 70 GLN QB 1 78 ALA HA 4.400 . 4.400 3.655 2.522 4.340 . 0 0 "[ . 1 . 2 ]" 1
631 1 70 GLN QG 1 71 PHE H . . 4.510 3.987 3.921 4.061 . 0 0 "[ . 1 . 2 ]" 1
632 1 70 GLN QG 1 75 PRO HA 4.360 . 4.360 3.659 2.909 4.364 0.004 4 0 "[ . 1 . 2 ]" 1
633 1 71 PHE H 1 71 PHE QB 3.230 . 3.230 2.446 2.179 2.666 . 0 0 "[ . 1 . 2 ]" 1
634 1 71 PHE H 1 71 PHE QD 4.030 . 4.030 2.564 2.092 2.883 . 0 0 "[ . 1 . 2 ]" 1
635 1 71 PHE H 1 72 PRO QD . . 4.500 4.347 3.990 4.485 . 0 0 "[ . 1 . 2 ]" 1
636 1 71 PHE H 1 74 GLU QB 4.730 . 4.730 4.613 4.359 4.894 0.164 19 0 "[ . 1 . 2 ]" 1
637 1 71 PHE H 1 78 ALA HA 3.810 . 3.810 3.260 2.574 3.670 . 0 0 "[ . 1 . 2 ]" 1
638 1 71 PHE H 1 78 ALA MB 4.710 . 4.710 3.982 3.436 4.740 0.030 4 0 "[ . 1 . 2 ]" 1
639 1 71 PHE HA 1 72 PRO QD 3.420 . 3.420 2.169 2.114 2.199 . 0 0 "[ . 1 . 2 ]" 1
640 1 71 PHE QB 1 72 PRO QD . . 3.710 2.866 2.349 3.667 . 0 0 "[ . 1 . 2 ]" 1
641 1 71 PHE QB 1 73 ASP H 4.130 . 4.130 3.557 2.667 4.209 0.079 19 0 "[ . 1 . 2 ]" 1
642 1 71 PHE QB 1 74 GLU H 3.720 . 3.720 2.998 2.445 3.234 . 0 0 "[ . 1 . 2 ]" 1
643 1 71 PHE QB 1 74 GLU QB . . 3.410 2.197 2.113 2.389 . 0 0 "[ . 1 . 2 ]" 1
644 1 71 PHE QD 1 72 PRO QD . . 4.450 3.058 2.522 3.731 . 0 0 "[ . 1 . 2 ]" 1
645 1 71 PHE QD 1 77 ARG QB 4.440 . 4.440 4.307 3.306 4.540 0.100 5 0 "[ . 1 . 2 ]" 1
646 1 71 PHE QD 1 78 ALA HA 4.550 . 4.550 2.615 2.406 3.550 . 0 0 "[ . 1 . 2 ]" 1
647 1 71 PHE QE 1 79 GLY H 5.060 . 5.060 2.534 1.954 3.641 . 0 0 "[ . 1 . 2 ]" 1
648 1 71 PHE QE 1 79 GLY QA . . 4.620 2.786 2.408 4.084 . 0 0 "[ . 1 . 2 ]" 1
649 1 72 PRO HA 1 74 GLU H 4.850 . 4.850 3.881 3.622 5.394 0.544 15 1 "[ . 1 + 2 ]" 1
650 1 72 PRO QB 1 73 ASP H . . 3.700 2.736 2.250 3.667 . 0 0 "[ . 1 . 2 ]" 1
651 1 72 PRO QD 1 73 ASP H . . 3.970 2.964 2.664 3.223 . 0 0 "[ . 1 . 2 ]" 1
652 1 73 ASP H 1 73 ASP QB 3.720 . 3.720 2.473 2.236 2.964 . 0 0 "[ . 1 . 2 ]" 1
653 1 73 ASP H 1 74 GLU H 3.530 . 3.530 2.647 2.017 2.919 . 0 0 "[ . 1 . 2 ]" 1
654 1 73 ASP HA 1 75 PRO QD 5.200 . 5.200 3.564 3.076 4.677 . 0 0 "[ . 1 . 2 ]" 1
655 1 73 ASP QB 1 74 GLU H 4.630 . 4.630 3.579 3.051 3.990 . 0 0 "[ . 1 . 2 ]" 1
656 1 74 GLU H 1 75 PRO QD . . 4.040 2.823 2.372 4.232 0.192 15 0 "[ . 1 . 2 ]" 1
657 1 74 GLU HA 1 75 PRO QD . . 2.870 2.263 2.149 2.347 . 0 0 "[ . 1 . 2 ]" 1
658 1 74 GLU HA 1 75 PRO QG 4.290 . 4.290 4.170 4.058 4.220 . 0 0 "[ . 1 . 2 ]" 1
659 1 75 PRO QD 1 76 ASP H . . 3.830 2.565 2.104 2.821 . 0 0 "[ . 1 . 2 ]" 1
660 1 75 PRO QG 1 76 ASP H 3.500 . 3.500 2.868 1.836 3.254 . 0 0 "[ . 1 . 2 ]" 1
661 1 76 ASP H 1 76 ASP QB 3.330 . 3.330 2.380 2.258 2.740 . 0 0 "[ . 1 . 2 ]" 1
662 1 76 ASP H 1 77 ARG QB 4.680 . 4.680 4.433 4.133 4.743 0.063 1 0 "[ . 1 . 2 ]" 1
663 1 76 ASP QB 1 77 ARG H 4.560 . 4.560 3.179 2.698 3.832 . 0 0 "[ . 1 . 2 ]" 1
664 1 77 ARG H 1 77 ARG QB 3.630 . 3.630 2.665 2.439 2.738 . 0 0 "[ . 1 . 2 ]" 1
665 1 77 ARG H 1 77 ARG QG 4.450 . 4.450 3.552 2.928 4.249 . 0 0 "[ . 1 . 2 ]" 1
666 1 77 ARG HA 1 78 ALA H 3.160 . 3.160 2.276 2.166 2.383 . 0 0 "[ . 1 . 2 ]" 1
667 1 77 ARG QB 1 78 ALA H 4.030 . 4.030 3.046 2.458 3.742 . 0 0 "[ . 1 . 2 ]" 1
668 1 77 ARG QG 1 78 ALA H 3.970 . 3.970 3.117 1.912 4.251 0.281 1 0 "[ . 1 . 2 ]" 1
669 1 78 ALA H 1 78 ALA MB 3.430 . 3.430 2.593 2.517 2.659 . 0 0 "[ . 1 . 2 ]" 1
670 1 78 ALA HA 1 79 GLY H 3.390 . 3.390 2.223 2.141 2.386 . 0 0 "[ . 1 . 2 ]" 1
671 1 78 ALA MB 1 79 GLY H 3.540 . 3.540 2.795 2.359 3.045 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 2:18:53 AM GMT (wattos1)