NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
389764 |
1nvo   |
5747 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nvo
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 942
_Distance_constraint_stats_list.Viol_count 1613
_Distance_constraint_stats_list.Viol_total 1402.747
_Distance_constraint_stats_list.Viol_max 0.324
_Distance_constraint_stats_list.Viol_rms 0.0264
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0621
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 1.346 0.324 9 0 "[ . 1 ]"
1 3 TYR 2.030 0.130 2 0 "[ . 1 ]"
1 4 LEU 3.172 0.193 2 0 "[ . 1 ]"
1 5 ARG 0.370 0.316 8 0 "[ . 1 ]"
1 6 GLU 1.717 0.193 2 0 "[ . 1 ]"
1 7 LEU 3.068 0.244 11 0 "[ . 1 ]"
1 8 LEU 2.984 0.190 7 0 "[ . 1 ]"
1 9 LYS 2.731 0.135 7 0 "[ . 1 ]"
1 10 LEU 1.389 0.190 7 0 "[ . 1 ]"
1 11 GLU 1.586 0.115 7 0 "[ . 1 ]"
1 12 LEU 2.299 0.107 3 0 "[ . 1 ]"
1 13 GLN 0.637 0.081 12 0 "[ . 1 ]"
1 14 LEU 2.783 0.230 12 0 "[ . 1 ]"
1 15 ILE 2.319 0.147 11 0 "[ . 1 ]"
1 16 LYS 2.006 0.186 11 0 "[ . 1 ]"
1 17 GLN 2.724 0.230 12 0 "[ . 1 ]"
1 18 TYR 2.668 0.186 11 0 "[ . 1 ]"
1 19 ARG 3.888 0.166 1 0 "[ . 1 ]"
1 20 GLU 1.934 0.094 3 0 "[ . 1 ]"
1 21 ALA 4.834 0.178 10 0 "[ . 1 ]"
1 22 LEU 0.095 0.052 11 0 "[ . 1 ]"
1 23 GLU 1.692 0.113 5 0 "[ . 1 ]"
1 24 TYR 1.019 0.080 4 0 "[ . 1 ]"
1 25 VAL 1.242 0.113 5 0 "[ . 1 ]"
1 26 LYS 0.097 0.096 14 0 "[ . 1 ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 29 VAL 1.218 0.093 14 0 "[ . 1 ]"
1 30 LEU 2.642 0.162 10 0 "[ . 1 ]"
1 31 ALA 1.712 0.233 8 0 "[ . 1 ]"
1 32 LYS 2.273 0.162 10 0 "[ . 1 ]"
1 33 ILE 0.845 0.107 11 0 "[ . 1 ]"
1 34 LEU 2.141 0.233 8 0 "[ . 1 ]"
1 35 GLU 1.780 0.098 4 0 "[ . 1 ]"
1 36 ASP 0.944 0.098 4 0 "[ . 1 ]"
1 37 GLU 0.133 0.046 1 0 "[ . 1 ]"
1 38 GLU 3.059 0.186 4 0 "[ . 1 ]"
1 39 LYS 0.960 0.143 13 0 "[ . 1 ]"
1 40 HIS 0.035 0.035 4 0 "[ . 1 ]"
1 41 ILE 1.115 0.151 13 0 "[ . 1 ]"
1 42 GLU 0.190 0.039 12 0 "[ . 1 ]"
1 43 TRP 5.710 0.262 13 0 "[ . 1 ]"
1 44 LEU 2.638 0.219 8 0 "[ . 1 ]"
1 45 GLU 1.183 0.202 7 0 "[ . 1 ]"
1 46 THR 3.266 0.210 10 0 "[ . 1 ]"
1 47 ILE 2.177 0.219 8 0 "[ . 1 ]"
2 2 ASP 0.464 0.133 9 0 "[ . 1 ]"
2 3 TYR 2.005 0.133 5 0 "[ . 1 ]"
2 4 LEU 2.445 0.200 13 0 "[ . 1 ]"
2 5 ARG 0.132 0.047 6 0 "[ . 1 ]"
2 6 GLU 1.662 0.200 13 0 "[ . 1 ]"
2 7 LEU 2.777 0.178 10 0 "[ . 1 ]"
2 8 LEU 3.042 0.171 4 0 "[ . 1 ]"
2 9 LYS 2.493 0.133 12 0 "[ . 1 ]"
2 10 LEU 1.276 0.105 4 0 "[ . 1 ]"
2 11 GLU 1.412 0.162 3 0 "[ . 1 ]"
2 12 LEU 1.586 0.148 9 0 "[ . 1 ]"
2 13 GLN 1.102 0.171 9 0 "[ . 1 ]"
2 14 LEU 3.236 0.320 11 0 "[ . 1 ]"
2 15 ILE 2.010 0.148 9 0 "[ . 1 ]"
2 16 LYS 2.231 0.192 9 0 "[ . 1 ]"
2 17 GLN 3.031 0.320 11 0 "[ . 1 ]"
2 18 TYR 2.516 0.138 13 0 "[ . 1 ]"
2 19 ARG 3.539 0.149 13 0 "[ . 1 ]"
2 20 GLU 1.801 0.091 2 0 "[ . 1 ]"
2 21 ALA 4.270 0.223 7 0 "[ . 1 ]"
2 22 LEU 0.104 0.030 13 0 "[ . 1 ]"
2 23 GLU 1.720 0.141 14 0 "[ . 1 ]"
2 24 TYR 0.672 0.072 4 0 "[ . 1 ]"
2 25 VAL 1.740 0.141 14 0 "[ . 1 ]"
2 26 LYS 0.237 0.129 9 0 "[ . 1 ]"
2 27 LEU 0.020 0.013 1 0 "[ . 1 ]"
2 28 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 29 VAL 1.414 0.096 12 0 "[ . 1 ]"
2 30 LEU 2.216 0.156 12 0 "[ . 1 ]"
2 31 ALA 1.176 0.203 13 0 "[ . 1 ]"
2 32 LYS 2.036 0.126 9 0 "[ . 1 ]"
2 33 ILE 0.859 0.094 9 0 "[ . 1 ]"
2 34 LEU 2.021 0.203 13 0 "[ . 1 ]"
2 35 GLU 1.817 0.102 14 0 "[ . 1 ]"
2 36 ASP 0.926 0.087 9 0 "[ . 1 ]"
2 37 GLU 0.116 0.061 13 0 "[ . 1 ]"
2 38 GLU 3.035 0.199 11 0 "[ . 1 ]"
2 39 LYS 0.750 0.111 12 0 "[ . 1 ]"
2 40 HIS 0.000 0.000 . 0 "[ . 1 ]"
2 41 ILE 1.014 0.134 14 0 "[ . 1 ]"
2 42 GLU 0.217 0.042 1 0 "[ . 1 ]"
2 43 TRP 5.042 0.220 12 0 "[ . 1 ]"
2 44 LEU 2.504 0.161 12 0 "[ . 1 ]"
2 45 GLU 0.944 0.219 6 0 "[ . 1 ]"
2 46 THR 3.290 0.219 6 0 "[ . 1 ]"
2 47 ILE 1.629 0.173 2 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP H 1 2 ASP HB2 . . 3.300 2.717 2.081 3.624 0.324 9 0 "[ . 1 ]" 1
2 1 2 ASP H 1 2 ASP QB . . 3.090 2.389 1.995 3.010 . 0 0 "[ . 1 ]" 1
3 1 2 ASP H 1 2 ASP HB3 . . 3.300 2.769 2.062 3.217 . 0 0 "[ . 1 ]" 1
4 1 2 ASP H 1 3 TYR H . . 3.270 2.859 2.274 3.349 0.079 6 0 "[ . 1 ]" 1
5 1 2 ASP HA 1 3 TYR H . . 3.580 3.511 3.267 3.589 0.009 4 0 "[ . 1 ]" 1
6 1 2 ASP HA 1 5 ARG H . . 4.290 3.946 3.484 4.606 0.316 8 0 "[ . 1 ]" 1
7 1 2 ASP HB2 1 3 TYR H . . 3.950 3.703 2.412 4.057 0.107 2 0 "[ . 1 ]" 1
8 1 2 ASP HB3 1 3 TYR H . . 3.950 2.644 1.969 3.786 . 0 0 "[ . 1 ]" 1
9 1 3 TYR H 1 3 TYR HB2 . . 3.360 2.598 2.037 3.490 0.130 2 0 "[ . 1 ]" 1
10 1 3 TYR H 1 3 TYR HB3 . . 3.360 3.039 2.203 3.486 0.126 7 0 "[ . 1 ]" 1
11 1 3 TYR H 1 4 LEU H . . 3.390 2.990 2.160 3.409 0.019 2 0 "[ . 1 ]" 1
12 1 3 TYR HA 1 4 LEU H . . 3.570 3.562 3.483 3.646 0.076 10 0 "[ . 1 ]" 1
13 1 3 TYR HA 2 21 ALA MB . . 4.300 3.326 2.470 3.781 . 0 0 "[ . 1 ]" 1
14 1 3 TYR QB 2 21 ALA MB . . 5.610 3.063 2.066 4.196 . 0 0 "[ . 1 ]" 1
15 1 3 TYR QB 2 25 VAL QG . . 8.190 2.959 2.304 4.501 . 0 0 "[ . 1 ]" 1
16 1 3 TYR HB2 1 4 LEU H . . 3.760 3.195 2.325 3.823 0.063 3 0 "[ . 1 ]" 1
17 1 3 TYR HB3 1 4 LEU H . . 3.760 3.343 2.486 3.825 0.065 2 0 "[ . 1 ]" 1
18 1 3 TYR QD 1 4 LEU H . . 7.640 3.907 2.056 4.796 . 0 0 "[ . 1 ]" 1
19 1 3 TYR QD 1 4 LEU QD . . 9.770 3.892 2.731 4.877 . 0 0 "[ . 1 ]" 1
20 1 3 TYR QD 1 7 LEU HG . . 7.520 6.084 5.074 7.249 . 0 0 "[ . 1 ]" 1
21 1 3 TYR QD 2 21 ALA HA . . 7.640 3.959 2.789 5.552 . 0 0 "[ . 1 ]" 1
22 1 3 TYR QD 2 21 ALA MB . . 7.740 2.954 2.033 4.510 . 0 0 "[ . 1 ]" 1
23 1 3 TYR QD 2 25 VAL HB . . 7.640 5.261 3.275 6.433 . 0 0 "[ . 1 ]" 1
24 1 3 TYR QD 2 25 VAL QG . . 9.170 2.836 2.148 3.926 . 0 0 "[ . 1 ]" 1
25 1 3 TYR QE 1 4 LEU QD . . 9.760 4.761 2.097 6.473 . 0 0 "[ . 1 ]" 1
26 1 3 TYR QE 2 21 ALA HA . . 7.630 4.714 2.176 6.932 . 0 0 "[ . 1 ]" 1
27 1 3 TYR QE 2 21 ALA MB . . 8.660 4.152 2.243 6.008 . 0 0 "[ . 1 ]" 1
28 1 3 TYR QE 2 24 TYR HB2 . . 7.630 4.317 2.327 6.379 . 0 0 "[ . 1 ]" 1
29 1 3 TYR QE 2 24 TYR HB3 . . 7.630 3.604 2.176 5.449 . 0 0 "[ . 1 ]" 1
30 1 3 TYR QE 2 25 VAL HB . . 7.630 5.797 4.276 7.240 . 0 0 "[ . 1 ]" 1
31 1 3 TYR QE 2 25 VAL QG . . 9.750 3.459 2.285 4.931 . 0 0 "[ . 1 ]" 1
32 1 4 LEU H 1 4 LEU HA . . 2.830 2.861 2.757 2.942 0.112 6 0 "[ . 1 ]" 1
33 1 4 LEU H 1 4 LEU HG . . 3.270 2.646 1.868 3.389 0.119 8 0 "[ . 1 ]" 1
34 1 4 LEU HA 1 4 LEU HG . . 3.360 3.043 2.360 3.510 0.150 8 0 "[ . 1 ]" 1
35 1 4 LEU HA 1 6 GLU H . . 3.450 3.560 3.463 3.643 0.193 2 0 "[ . 1 ]" 1
36 1 4 LEU HA 1 7 LEU QB . . 4.920 2.985 2.188 4.055 . 0 0 "[ . 1 ]" 1
37 1 4 LEU QB 1 5 ARG H . . 4.420 3.203 2.414 4.073 . 0 0 "[ . 1 ]" 1
38 1 4 LEU QD 1 47 ILE MD . . 7.360 3.932 3.422 4.527 . 0 0 "[ . 1 ]" 1
39 1 4 LEU QD 1 47 ILE QG . . 6.990 3.524 2.314 4.040 . 0 0 "[ . 1 ]" 1
40 1 4 LEU QD 1 47 ILE MG . . 7.610 2.979 1.921 4.402 . 0 0 "[ . 1 ]" 1
41 1 5 ARG H 1 5 ARG QB . . 3.900 2.537 2.148 3.594 . 0 0 "[ . 1 ]" 1
42 1 5 ARG H 1 5 ARG HE . . 5.310 4.474 3.593 5.173 . 0 0 "[ . 1 ]" 1
43 1 5 ARG H 1 5 ARG HG2 . . 3.920 2.885 2.120 3.718 . 0 0 "[ . 1 ]" 1
44 1 5 ARG H 1 5 ARG QG . . 3.230 2.467 2.074 2.942 . 0 0 "[ . 1 ]" 1
45 1 5 ARG H 1 5 ARG HG3 . . 3.920 3.001 2.332 3.790 . 0 0 "[ . 1 ]" 1
46 1 5 ARG H 1 6 GLU H . . 2.770 2.551 1.623 2.798 0.028 12 0 "[ . 1 ]" 1
47 1 5 ARG HA 1 5 ARG HG2 . . 4.110 2.814 2.278 3.805 . 0 0 "[ . 1 ]" 1
48 1 5 ARG HA 1 5 ARG QG . . 3.840 2.670 2.217 3.376 . 0 0 "[ . 1 ]" 1
49 1 5 ARG HA 1 5 ARG HG3 . . 4.110 3.538 3.022 3.901 . 0 0 "[ . 1 ]" 1
50 1 5 ARG HA 1 6 GLU H . . 3.640 3.475 3.277 3.584 . 0 0 "[ . 1 ]" 1
51 1 6 GLU HA 1 10 LEU H . . 3.760 3.589 2.968 3.820 0.060 14 0 "[ . 1 ]" 1
52 1 6 GLU QB 1 7 LEU QD . . 5.380 2.791 2.045 3.616 . 0 0 "[ . 1 ]" 1
53 1 7 LEU H 1 7 LEU HG . . 3.790 3.407 2.604 3.859 0.069 1 0 "[ . 1 ]" 1
54 1 7 LEU H 1 8 LEU H . . 2.800 2.679 1.949 2.925 0.125 4 0 "[ . 1 ]" 1
55 1 7 LEU HA 1 7 LEU HG . . 2.770 2.750 2.506 3.014 0.244 11 0 "[ . 1 ]" 1
56 1 7 LEU HA 2 18 TYR QD . . 6.210 4.894 2.995 5.741 . 0 0 "[ . 1 ]" 1
57 1 7 LEU HA 2 18 TYR QE . . 6.640 4.442 2.367 5.607 . 0 0 "[ . 1 ]" 1
58 1 7 LEU QB 2 18 TYR QE . . 8.510 3.342 2.355 4.296 . 0 0 "[ . 1 ]" 1
59 1 7 LEU QD 2 17 GLN QB . . 7.950 2.790 2.127 4.133 . 0 0 "[ . 1 ]" 1
60 1 7 LEU QD 2 18 TYR H . . 7.170 3.701 2.729 4.239 . 0 0 "[ . 1 ]" 1
61 1 7 LEU QD 2 18 TYR HA . . 6.210 2.119 1.867 2.497 . 0 0 "[ . 1 ]" 1
62 1 7 LEU QD 2 18 TYR QD . . 9.650 2.482 2.028 3.386 . 0 0 "[ . 1 ]" 1
63 1 7 LEU QD 2 18 TYR QE . . 9.730 2.994 2.487 3.926 . 0 0 "[ . 1 ]" 1
64 1 7 LEU QD 2 21 ALA MB . . 8.660 1.765 1.625 1.966 . 0 0 "[ . 1 ]" 1
65 1 7 LEU QD 2 30 LEU QD . . 7.380 2.176 1.705 3.116 . 0 0 "[ . 1 ]" 1
66 1 7 LEU HG 1 44 LEU QD . . 5.560 3.985 3.546 4.258 . 0 0 "[ . 1 ]" 1
67 1 7 LEU HG 2 17 GLN QB . . 4.920 3.482 2.185 4.110 . 0 0 "[ . 1 ]" 1
68 1 7 LEU HG 2 18 TYR HA . . 3.860 3.275 2.258 3.964 0.104 5 0 "[ . 1 ]" 1
69 1 7 LEU HG 2 18 TYR QD . . 6.280 4.021 2.737 5.100 . 0 0 "[ . 1 ]" 1
70 1 7 LEU HG 2 18 TYR QE . . 5.800 4.676 3.338 5.538 . 0 0 "[ . 1 ]" 1
71 1 7 LEU HG 2 21 ALA H . . 4.820 4.909 4.845 5.043 0.223 7 0 "[ . 1 ]" 1
72 1 7 LEU HG 2 21 ALA MB . . 3.920 3.099 2.559 3.427 . 0 0 "[ . 1 ]" 1
73 1 8 LEU H 1 8 LEU HA . . 2.740 2.880 2.812 2.922 0.182 13 0 "[ . 1 ]" 1
74 1 8 LEU H 1 9 LYS H . . 2.960 2.186 1.910 2.645 . 0 0 "[ . 1 ]" 1
75 1 8 LEU H 1 10 LEU H . . 3.480 3.149 2.717 3.670 0.190 7 0 "[ . 1 ]" 1
76 1 8 LEU H 1 44 LEU QD . . 6.610 4.178 3.329 4.625 . 0 0 "[ . 1 ]" 1
77 1 8 LEU HA 1 9 LYS H . . 3.630 3.586 3.545 3.613 . 0 0 "[ . 1 ]" 1
78 1 8 LEU HA 1 11 GLU H . . 3.700 3.478 3.082 3.787 0.087 12 0 "[ . 1 ]" 1
79 1 8 LEU HA 1 11 GLU QB . . 3.530 2.373 2.166 2.684 . 0 0 "[ . 1 ]" 1
80 1 9 LYS H 1 9 LYS HA . . 2.680 2.790 2.758 2.815 0.135 7 0 "[ . 1 ]" 1
81 1 9 LYS H 1 9 LYS QB . . 3.900 2.170 2.022 2.410 . 0 0 "[ . 1 ]" 1
82 1 9 LYS H 1 9 LYS QD . . 5.760 4.276 3.686 4.587 . 0 0 "[ . 1 ]" 1
83 1 9 LYS H 1 10 LEU H . . 3.080 2.638 2.392 2.760 . 0 0 "[ . 1 ]" 1
84 1 9 LYS H 1 11 GLU H . . 3.890 3.940 3.856 4.005 0.115 7 0 "[ . 1 ]" 1
85 1 9 LYS HA 1 9 LYS QD . . 4.950 3.753 2.453 4.047 . 0 0 "[ . 1 ]" 1
86 1 9 LYS HA 1 10 LEU H . . 3.610 3.539 3.501 3.585 . 0 0 "[ . 1 ]" 1
87 1 9 LYS HA 1 12 LEU H . . 3.360 3.391 3.339 3.429 0.069 8 0 "[ . 1 ]" 1
88 1 10 LEU H 1 10 LEU HG . . 2.830 2.525 2.230 2.854 0.024 5 0 "[ . 1 ]" 1
89 1 10 LEU H 1 11 GLU H . . 3.240 2.590 2.374 2.733 . 0 0 "[ . 1 ]" 1
90 1 10 LEU H 1 12 LEU H . . 4.110 4.159 3.959 4.217 0.107 3 0 "[ . 1 ]" 1
91 1 10 LEU HA 1 10 LEU HG . . 3.210 2.953 2.321 3.238 0.028 11 0 "[ . 1 ]" 1
92 1 10 LEU HA 1 13 GLN H . . 3.670 3.486 3.273 3.717 0.047 11 0 "[ . 1 ]" 1
93 1 10 LEU QB 1 11 GLU H . . 4.070 2.615 2.477 2.824 . 0 0 "[ . 1 ]" 1
94 1 10 LEU QD 1 11 GLU H . . 7.070 4.143 4.037 4.228 . 0 0 "[ . 1 ]" 1
95 1 10 LEU QD 2 13 GLN QE . . 8.500 3.204 2.077 4.908 . 0 0 "[ . 1 ]" 1
96 1 11 GLU H 1 11 GLU HB2 . . 2.720 2.494 2.050 2.684 . 0 0 "[ . 1 ]" 1
97 1 11 GLU H 1 11 GLU HB3 . . 3.520 3.544 3.383 3.577 0.057 1 0 "[ . 1 ]" 1
98 1 11 GLU H 1 11 GLU QG . . 4.070 2.467 2.150 3.420 . 0 0 "[ . 1 ]" 1
99 1 11 GLU H 1 12 LEU H . . 3.300 2.815 2.655 2.937 . 0 0 "[ . 1 ]" 1
100 1 11 GLU HA 1 11 GLU HB3 . . 2.920 2.441 2.322 2.841 . 0 0 "[ . 1 ]" 1
101 1 11 GLU HA 1 14 LEU H . . 3.890 3.419 3.159 3.816 . 0 0 "[ . 1 ]" 1
102 1 11 GLU HA 1 14 LEU HB2 . . 3.580 3.179 2.598 3.592 0.012 2 0 "[ . 1 ]" 1
103 1 11 GLU HA 1 14 LEU HG . . 2.680 2.479 2.134 2.751 0.071 11 0 "[ . 1 ]" 1
104 1 11 GLU HA 1 41 ILE MG . . 4.980 4.044 3.904 4.135 . 0 0 "[ . 1 ]" 1
105 1 11 GLU QB 1 12 LEU H . . 3.770 2.576 2.325 2.759 . 0 0 "[ . 1 ]" 1
106 1 11 GLU QB 1 41 ILE MG . . 5.300 1.924 1.870 2.030 . 0 0 "[ . 1 ]" 1
107 1 11 GLU HB2 1 12 LEU H . . 4.170 2.651 2.377 2.824 . 0 0 "[ . 1 ]" 1
108 1 11 GLU HB3 1 12 LEU H . . 4.170 3.552 3.116 3.878 . 0 0 "[ . 1 ]" 1
109 1 11 GLU HB3 1 41 ILE QG . . 2.780 2.083 1.903 2.189 . 0 0 "[ . 1 ]" 1
110 1 11 GLU QG 1 12 LEU H . . 5.260 4.208 4.008 4.501 . 0 0 "[ . 1 ]" 1
111 1 11 GLU QG 1 41 ILE QG . . 3.700 2.240 2.000 2.722 . 0 0 "[ . 1 ]" 1
112 1 11 GLU QG 1 44 LEU QD . . 4.900 2.811 2.334 3.099 . 0 0 "[ . 1 ]" 1
113 1 12 LEU H 1 13 GLN H . . 3.110 2.823 2.691 2.980 . 0 0 "[ . 1 ]" 1
114 1 12 LEU HA 1 15 ILE H . . 3.700 3.502 3.384 3.669 . 0 0 "[ . 1 ]" 1
115 1 12 LEU HA 1 15 ILE HB . . 2.900 2.972 2.917 3.006 0.106 12 0 "[ . 1 ]" 1
116 1 13 GLN H 1 13 GLN HG2 . . 4.350 3.554 2.186 4.403 0.053 9 0 "[ . 1 ]" 1
117 1 13 GLN H 1 13 GLN HG3 . . 4.350 3.224 2.137 4.431 0.081 12 0 "[ . 1 ]" 1
118 1 13 GLN H 1 14 LEU H . . 3.110 2.757 2.620 2.907 . 0 0 "[ . 1 ]" 1
119 1 13 GLN HA 1 13 GLN HG2 . . 3.920 3.084 2.388 3.910 . 0 0 "[ . 1 ]" 1
120 1 13 GLN HA 1 13 GLN HG3 . . 3.920 3.057 2.273 3.640 . 0 0 "[ . 1 ]" 1
121 1 13 GLN HA 1 16 LYS H . . 3.550 3.535 3.119 3.605 0.055 14 0 "[ . 1 ]" 1
122 1 13 GLN QE 2 10 LEU QD . . 8.500 3.593 1.978 5.571 . 0 0 "[ . 1 ]" 1
123 1 13 GLN QE 2 14 LEU QD . . 7.440 4.436 3.707 4.933 . 0 0 "[ . 1 ]" 1
124 1 14 LEU H 1 14 LEU HB2 . . 3.300 2.606 2.554 2.741 . 0 0 "[ . 1 ]" 1
125 1 14 LEU H 1 14 LEU HB3 . . 3.600 3.624 3.604 3.638 0.038 11 0 "[ . 1 ]" 1
126 1 14 LEU H 1 14 LEU HG . . 3.580 2.417 1.946 2.851 . 0 0 "[ . 1 ]" 1
127 1 14 LEU H 1 15 ILE H . . 3.390 2.583 2.468 2.777 . 0 0 "[ . 1 ]" 1
128 1 14 LEU H 1 16 LYS H . . 4.350 3.858 3.566 4.209 . 0 0 "[ . 1 ]" 1
129 1 14 LEU H 1 17 GLN H . . 4.200 4.349 4.269 4.430 0.230 12 0 "[ . 1 ]" 1
130 1 14 LEU HA 1 14 LEU HG . . 3.730 3.372 3.120 3.676 . 0 0 "[ . 1 ]" 1
131 1 14 LEU HA 1 17 GLN QB . . 4.520 2.486 2.052 4.013 . 0 0 "[ . 1 ]" 1
132 1 14 LEU HA 1 18 TYR QD . . 7.640 4.042 3.353 4.858 . 0 0 "[ . 1 ]" 1
133 1 14 LEU QB 1 15 ILE H . . 4.520 2.354 2.113 2.650 . 0 0 "[ . 1 ]" 1
134 1 14 LEU QB 1 18 TYR QE . . 8.510 3.177 2.489 4.324 . 0 0 "[ . 1 ]" 1
135 1 14 LEU QD 1 18 TYR QD . . 9.710 4.071 3.653 4.615 . 0 0 "[ . 1 ]" 1
136 1 14 LEU QD 2 13 GLN QE . . 7.440 4.011 1.827 4.900 . 0 0 "[ . 1 ]" 1
137 1 14 LEU HG 1 15 ILE H . . 4.320 4.119 3.819 4.387 0.067 13 0 "[ . 1 ]" 1
138 1 15 ILE H 1 15 ILE HB . . 3.020 2.333 2.179 2.515 . 0 0 "[ . 1 ]" 1
139 1 15 ILE H 1 15 ILE MD . . 4.920 2.469 2.039 3.063 . 0 0 "[ . 1 ]" 1
140 1 15 ILE H 1 15 ILE MG . . 4.480 3.737 3.666 3.823 . 0 0 "[ . 1 ]" 1
141 1 15 ILE H 1 16 LYS H . . 3.270 2.726 2.569 2.861 . 0 0 "[ . 1 ]" 1
142 1 15 ILE HA 1 15 ILE MD . . 3.830 2.354 2.003 3.110 . 0 0 "[ . 1 ]" 1
143 1 15 ILE HA 1 18 TYR H . . 3.450 3.401 3.131 3.484 0.034 9 0 "[ . 1 ]" 1
144 1 15 ILE HA 1 18 TYR HB2 . . 3.580 2.304 2.145 2.616 . 0 0 "[ . 1 ]" 1
145 1 15 ILE HA 1 18 TYR QB . . 3.410 2.280 2.131 2.556 . 0 0 "[ . 1 ]" 1
146 1 15 ILE HA 1 18 TYR HB3 . . 3.580 3.658 3.591 3.727 0.147 11 0 "[ . 1 ]" 1
147 1 15 ILE HA 1 18 TYR QD . . 6.150 2.842 2.135 3.831 . 0 0 "[ . 1 ]" 1
148 1 15 ILE HA 1 18 TYR QE . . 7.540 4.832 4.322 5.515 . 0 0 "[ . 1 ]" 1
149 1 15 ILE MD 1 16 LYS H . . 5.290 4.290 4.047 4.453 . 0 0 "[ . 1 ]" 1
150 1 15 ILE MD 1 37 GLU H . . 5.970 4.591 4.189 4.979 . 0 0 "[ . 1 ]" 1
151 1 15 ILE QG 1 38 GLU QB . . 7.250 3.179 2.479 4.157 . 0 0 "[ . 1 ]" 1
152 1 15 ILE MG 1 16 LYS H . . 4.950 3.162 2.597 3.464 . 0 0 "[ . 1 ]" 1
153 1 15 ILE MG 1 38 GLU QB . . 5.050 3.450 3.043 3.559 . 0 0 "[ . 1 ]" 1
154 1 15 ILE MG 1 38 GLU QG . . 5.640 2.329 1.949 3.544 . 0 0 "[ . 1 ]" 1
155 1 16 LYS H 1 16 LYS HB2 . . 2.990 2.184 2.053 2.561 . 0 0 "[ . 1 ]" 1
156 1 16 LYS H 1 16 LYS QB . . 2.790 2.111 2.024 2.226 . 0 0 "[ . 1 ]" 1
157 1 16 LYS H 1 16 LYS HB3 . . 2.990 2.979 2.255 3.102 0.112 5 0 "[ . 1 ]" 1
158 1 16 LYS H 1 16 LYS QD . . 4.330 3.518 3.218 3.997 . 0 0 "[ . 1 ]" 1
159 1 16 LYS H 1 17 GLN H . . 3.080 2.870 2.691 3.139 0.059 11 0 "[ . 1 ]" 1
160 1 16 LYS H 1 18 TYR H . . 4.010 4.071 4.005 4.196 0.186 11 0 "[ . 1 ]" 1
161 1 16 LYS H 1 34 LEU QD . . 6.860 5.219 5.117 5.388 . 0 0 "[ . 1 ]" 1
162 1 16 LYS HA 1 19 ARG H . . 3.610 3.567 3.393 3.656 0.046 8 0 "[ . 1 ]" 1
163 1 16 LYS HA 1 19 ARG QB . . 4.020 3.057 2.703 3.236 . 0 0 "[ . 1 ]" 1
164 1 17 GLN H 1 17 GLN HG2 . . 4.630 3.503 2.177 4.487 . 0 0 "[ . 1 ]" 1
165 1 17 GLN H 1 17 GLN QG . . 4.260 3.044 2.156 3.901 . 0 0 "[ . 1 ]" 1
166 1 17 GLN H 1 17 GLN HG3 . . 4.630 3.730 2.458 4.436 . 0 0 "[ . 1 ]" 1
167 1 17 GLN H 1 18 TYR H . . 3.240 2.572 2.515 2.632 . 0 0 "[ . 1 ]" 1
168 1 17 GLN H 1 19 ARG H . . 4.010 4.051 4.025 4.068 0.058 12 0 "[ . 1 ]" 1
169 1 17 GLN HA 1 20 GLU H . . 3.390 3.193 3.055 3.395 0.005 4 0 "[ . 1 ]" 1
170 1 17 GLN HA 1 20 GLU HB2 . . 3.080 2.861 2.705 3.081 0.001 8 0 "[ . 1 ]" 1
171 1 17 GLN HA 1 20 GLU QB . . 2.860 2.430 2.252 2.678 . 0 0 "[ . 1 ]" 1
172 1 17 GLN HA 1 20 GLU HB3 . . 3.080 2.639 2.365 3.032 . 0 0 "[ . 1 ]" 1
173 1 17 GLN QB 2 7 LEU QD . . 7.950 3.092 2.232 4.127 . 0 0 "[ . 1 ]" 1
174 1 17 GLN QB 2 7 LEU HG . . 4.920 3.438 2.906 4.127 . 0 0 "[ . 1 ]" 1
175 1 18 TYR H 1 18 TYR HB2 . . 3.480 2.144 2.076 2.227 . 0 0 "[ . 1 ]" 1
176 1 18 TYR H 1 18 TYR QB . . 3.310 2.122 2.049 2.203 . 0 0 "[ . 1 ]" 1
177 1 18 TYR H 1 18 TYR HB3 . . 3.480 3.395 3.155 3.493 0.013 7 0 "[ . 1 ]" 1
178 1 18 TYR H 1 19 ARG H . . 3.210 2.533 2.456 2.640 . 0 0 "[ . 1 ]" 1
179 1 18 TYR H 1 20 GLU H . . 4.230 4.025 3.911 4.131 . 0 0 "[ . 1 ]" 1
180 1 18 TYR H 1 34 LEU QD . . 6.920 4.106 3.932 4.263 . 0 0 "[ . 1 ]" 1
181 1 18 TYR H 2 7 LEU QD . . 7.170 4.038 2.738 4.625 . 0 0 "[ . 1 ]" 1
182 1 18 TYR HA 1 19 ARG H . . 3.610 3.511 3.472 3.537 . 0 0 "[ . 1 ]" 1
183 1 18 TYR HA 1 21 ALA H . . 3.270 3.305 3.256 3.331 0.061 2 0 "[ . 1 ]" 1
184 1 18 TYR HA 1 21 ALA MB . . 4.200 2.799 2.569 3.047 . 0 0 "[ . 1 ]" 1
185 1 18 TYR HA 2 7 LEU QD . . 6.210 2.234 1.883 3.078 . 0 0 "[ . 1 ]" 1
186 1 18 TYR HA 2 7 LEU HG . . 3.860 3.201 2.657 3.899 0.039 1 0 "[ . 1 ]" 1
187 1 18 TYR QB 1 34 LEU QD . . 7.550 1.944 1.839 2.112 . 0 0 "[ . 1 ]" 1
188 1 18 TYR HB2 1 19 ARG H . . 3.700 3.089 2.738 3.389 . 0 0 "[ . 1 ]" 1
189 1 18 TYR HB3 1 19 ARG H . . 3.700 3.467 3.199 3.724 0.024 8 0 "[ . 1 ]" 1
190 1 18 TYR QD 1 19 ARG H . . 7.640 4.771 4.627 4.859 . 0 0 "[ . 1 ]" 1
191 1 18 TYR QD 1 21 ALA MB . . 7.330 4.205 3.605 4.791 . 0 0 "[ . 1 ]" 1
192 1 18 TYR QD 1 30 LEU QB . . 8.520 3.968 2.967 5.031 . 0 0 "[ . 1 ]" 1
193 1 18 TYR QD 1 33 ILE MG . . 8.670 3.997 3.517 4.546 . 0 0 "[ . 1 ]" 1
194 1 18 TYR QD 1 34 LEU QD . . 8.590 3.124 2.657 3.506 . 0 0 "[ . 1 ]" 1
195 1 18 TYR QD 1 37 GLU HG3 . . 5.390 4.574 4.037 5.157 . 0 0 "[ . 1 ]" 1
196 1 18 TYR QD 2 7 LEU HA . . 6.210 4.865 3.962 5.764 . 0 0 "[ . 1 ]" 1
197 1 18 TYR QD 2 7 LEU QD . . 9.650 2.551 2.038 4.019 . 0 0 "[ . 1 ]" 1
198 1 18 TYR QD 2 7 LEU HG . . 6.280 3.821 2.403 4.927 . 0 0 "[ . 1 ]" 1
199 1 18 TYR QE 1 21 ALA MB . . 8.660 5.470 4.926 5.782 . 0 0 "[ . 1 ]" 1
200 1 18 TYR QE 1 30 LEU QD . . 8.520 2.860 2.139 3.571 . 0 0 "[ . 1 ]" 1
201 1 18 TYR QE 1 33 ILE MG . . 7.640 2.770 2.195 3.449 . 0 0 "[ . 1 ]" 1
202 1 18 TYR QE 1 37 GLU HG3 . . 4.390 3.220 2.409 4.040 . 0 0 "[ . 1 ]" 1
203 1 18 TYR QE 2 7 LEU HA . . 6.640 4.501 3.330 5.266 . 0 0 "[ . 1 ]" 1
204 1 18 TYR QE 2 7 LEU QB . . 8.510 3.413 2.368 4.405 . 0 0 "[ . 1 ]" 1
205 1 18 TYR QE 2 7 LEU QD . . 9.730 2.982 2.472 4.512 . 0 0 "[ . 1 ]" 1
206 1 18 TYR QE 2 7 LEU HG . . 5.800 4.508 3.394 5.458 . 0 0 "[ . 1 ]" 1
207 1 19 ARG H 1 19 ARG HG2 . . 4.200 3.808 3.645 3.991 . 0 0 "[ . 1 ]" 1
208 1 19 ARG H 1 19 ARG QG . . 3.600 2.691 2.493 3.001 . 0 0 "[ . 1 ]" 1
209 1 19 ARG H 1 19 ARG HG3 . . 4.200 2.754 2.530 3.108 . 0 0 "[ . 1 ]" 1
210 1 19 ARG H 1 20 GLU H . . 3.080 2.309 2.237 2.367 . 0 0 "[ . 1 ]" 1
211 1 19 ARG H 1 21 ALA H . . 3.700 3.832 3.797 3.866 0.166 1 0 "[ . 1 ]" 1
212 1 19 ARG HA 1 19 ARG HG2 . . 3.080 2.384 2.200 2.547 . 0 0 "[ . 1 ]" 1
213 1 19 ARG HA 1 19 ARG QG . . 2.890 2.288 2.159 2.379 . 0 0 "[ . 1 ]" 1
214 1 19 ARG HA 1 19 ARG HG3 . . 3.080 2.985 2.837 3.140 0.060 5 0 "[ . 1 ]" 1
215 1 19 ARG HA 1 20 GLU H . . 3.420 3.500 3.484 3.514 0.094 3 0 "[ . 1 ]" 1
216 1 19 ARG HA 1 22 LEU H . . 3.390 3.300 3.161 3.412 0.022 9 0 "[ . 1 ]" 1
217 1 19 ARG HA 1 34 LEU QD . . 5.460 2.819 2.407 3.046 . 0 0 "[ . 1 ]" 1
218 1 19 ARG QD 1 34 LEU MD1 . . 7.400 3.608 3.063 4.205 . 0 0 "[ . 1 ]" 1
219 1 19 ARG QD 1 34 LEU QD . . 7.030 3.285 2.861 3.791 . 0 0 "[ . 1 ]" 1
220 1 19 ARG QD 1 34 LEU MD2 . . 7.400 3.805 3.430 4.311 . 0 0 "[ . 1 ]" 1
221 1 19 ARG HE 1 34 LEU QD . . 6.490 3.435 2.209 4.431 . 0 0 "[ . 1 ]" 1
222 1 19 ARG QG 1 20 GLU H . . 4.980 4.141 4.042 4.343 . 0 0 "[ . 1 ]" 1
223 1 20 GLU H 1 20 GLU HB2 . . 3.140 2.370 2.325 2.476 . 0 0 "[ . 1 ]" 1
224 1 20 GLU H 1 20 GLU QB . . 2.940 2.240 2.208 2.298 . 0 0 "[ . 1 ]" 1
225 1 20 GLU H 1 20 GLU HB3 . . 3.140 2.767 2.648 2.925 . 0 0 "[ . 1 ]" 1
226 1 20 GLU H 1 20 GLU HG2 . . 4.850 4.566 4.522 4.597 . 0 0 "[ . 1 ]" 1
227 1 20 GLU H 1 20 GLU QG . . 4.350 3.955 3.910 3.982 . 0 0 "[ . 1 ]" 1
228 1 20 GLU H 1 20 GLU HG3 . . 4.850 4.334 4.243 4.396 . 0 0 "[ . 1 ]" 1
229 1 20 GLU H 1 21 ALA H . . 3.050 2.792 2.528 2.901 . 0 0 "[ . 1 ]" 1
230 1 20 GLU H 1 21 ALA MB . . 5.780 4.509 4.256 4.664 . 0 0 "[ . 1 ]" 1
231 1 20 GLU HA 1 20 GLU HB2 . . 2.990 2.569 2.516 2.642 . 0 0 "[ . 1 ]" 1
232 1 20 GLU HA 1 20 GLU HB3 . . 2.990 3.025 3.011 3.033 0.043 11 0 "[ . 1 ]" 1
233 1 20 GLU HA 1 20 GLU HG2 . . 4.070 2.894 2.654 3.182 . 0 0 "[ . 1 ]" 1
234 1 20 GLU HA 1 20 GLU QG . . 3.880 2.304 2.219 2.363 . 0 0 "[ . 1 ]" 1
235 1 20 GLU HA 1 20 GLU HG3 . . 4.070 2.428 2.376 2.548 . 0 0 "[ . 1 ]" 1
236 1 20 GLU HA 1 21 ALA H . . 3.600 3.623 3.598 3.644 0.044 9 0 "[ . 1 ]" 1
237 1 20 GLU QB 1 21 ALA H . . 4.020 2.557 2.445 2.770 . 0 0 "[ . 1 ]" 1
238 1 20 GLU QG 1 24 TYR QE . . 8.510 3.852 2.442 6.820 . 0 0 "[ . 1 ]" 1
239 1 20 GLU HG2 1 21 ALA H . . 5.500 4.137 3.994 4.461 . 0 0 "[ . 1 ]" 1
240 1 20 GLU HG3 1 21 ALA H . . 5.500 4.957 4.795 5.156 . 0 0 "[ . 1 ]" 1
241 1 21 ALA H 1 21 ALA MB . . 3.640 2.210 2.133 2.300 . 0 0 "[ . 1 ]" 1
242 1 21 ALA H 2 7 LEU HG . . 4.820 4.937 4.856 4.998 0.178 10 0 "[ . 1 ]" 1
243 1 21 ALA HA 1 24 TYR H . . 3.830 3.186 2.829 3.435 . 0 0 "[ . 1 ]" 1
244 1 21 ALA HA 1 24 TYR HB2 . . 4.010 2.511 2.194 3.293 . 0 0 "[ . 1 ]" 1
245 1 21 ALA HA 1 24 TYR HB3 . . 4.010 3.942 3.004 4.076 0.066 12 0 "[ . 1 ]" 1
246 1 21 ALA HA 1 24 TYR QD . . 7.140 3.059 2.173 4.713 . 0 0 "[ . 1 ]" 1
247 1 21 ALA HA 1 25 VAL H . . 4.110 4.047 3.773 4.141 0.031 2 0 "[ . 1 ]" 1
248 1 21 ALA HA 2 3 TYR QD . . 7.640 4.057 2.398 5.498 . 0 0 "[ . 1 ]" 1
249 1 21 ALA HA 2 3 TYR QE . . 7.630 4.874 2.081 7.083 . 0 0 "[ . 1 ]" 1
250 1 21 ALA MB 2 3 TYR HA . . 4.300 3.518 3.385 3.631 . 0 0 "[ . 1 ]" 1
251 1 21 ALA MB 2 3 TYR QB . . 5.610 3.019 2.311 3.835 . 0 0 "[ . 1 ]" 1
252 1 21 ALA MB 2 3 TYR QD . . 7.740 2.997 1.969 3.801 . 0 0 "[ . 1 ]" 1
253 1 21 ALA MB 2 3 TYR QE . . 8.660 4.371 3.230 5.366 . 0 0 "[ . 1 ]" 1
254 1 21 ALA MB 2 7 LEU QD . . 8.660 1.724 1.638 1.903 . 0 0 "[ . 1 ]" 1
255 1 21 ALA MB 2 7 LEU HG . . 3.920 3.169 2.609 3.395 . 0 0 "[ . 1 ]" 1
256 1 22 LEU H 1 23 GLU H . . 3.140 3.033 2.952 3.192 0.052 11 0 "[ . 1 ]" 1
257 1 22 LEU QD 1 31 ALA H . . 3.450 2.174 1.940 2.568 . 0 0 "[ . 1 ]" 1
258 1 23 GLU H 1 23 GLU HA . . 2.870 2.904 2.881 2.935 0.065 11 0 "[ . 1 ]" 1
259 1 23 GLU H 1 23 GLU HB2 . . 3.920 3.024 2.289 3.661 . 0 0 "[ . 1 ]" 1
260 1 23 GLU H 1 23 GLU QB . . 3.280 2.589 2.264 2.819 . 0 0 "[ . 1 ]" 1
261 1 23 GLU H 1 23 GLU HB3 . . 3.920 3.255 2.791 3.629 . 0 0 "[ . 1 ]" 1
262 1 23 GLU H 1 23 GLU HG2 . . 3.830 2.443 1.932 3.404 . 0 0 "[ . 1 ]" 1
263 1 23 GLU H 1 23 GLU QG . . 3.330 2.221 1.887 2.792 . 0 0 "[ . 1 ]" 1
264 1 23 GLU H 1 23 GLU HG3 . . 3.830 2.945 2.459 3.835 0.005 7 0 "[ . 1 ]" 1
265 1 23 GLU H 1 25 VAL H . . 3.790 3.872 3.847 3.903 0.113 5 0 "[ . 1 ]" 1
266 1 23 GLU HA 1 23 GLU HG2 . . 4.110 3.190 2.341 3.767 . 0 0 "[ . 1 ]" 1
267 1 23 GLU HA 1 23 GLU QG . . 3.550 2.948 2.287 3.341 . 0 0 "[ . 1 ]" 1
268 1 23 GLU HA 1 23 GLU HG3 . . 4.110 3.634 3.216 3.755 . 0 0 "[ . 1 ]" 1
269 1 23 GLU HA 1 24 TYR H . . 3.640 3.553 3.503 3.592 . 0 0 "[ . 1 ]" 1
270 1 24 TYR H 1 24 TYR HB2 . . 3.390 2.174 2.111 2.249 . 0 0 "[ . 1 ]" 1
271 1 24 TYR H 1 24 TYR HB3 . . 3.390 3.382 2.760 3.470 0.080 4 0 "[ . 1 ]" 1
272 1 24 TYR H 1 25 VAL H . . 2.960 2.494 2.326 2.717 . 0 0 "[ . 1 ]" 1
273 1 24 TYR H 1 25 VAL QG . . 7.620 3.944 3.778 4.130 . 0 0 "[ . 1 ]" 1
274 1 24 TYR QB 1 25 VAL H . . 3.580 2.750 2.588 2.875 . 0 0 "[ . 1 ]" 1
275 1 24 TYR HB2 1 25 VAL H . . 3.830 2.966 2.689 3.739 . 0 0 "[ . 1 ]" 1
276 1 24 TYR HB2 2 3 TYR QE . . 7.630 4.265 2.485 6.949 . 0 0 "[ . 1 ]" 1
277 1 24 TYR HB3 1 25 VAL H . . 3.830 3.397 2.831 3.627 . 0 0 "[ . 1 ]" 1
278 1 24 TYR HB3 2 3 TYR QE . . 7.630 3.625 2.710 6.773 . 0 0 "[ . 1 ]" 1
279 1 24 TYR QD 1 25 VAL H . . 7.640 4.582 4.372 4.742 . 0 0 "[ . 1 ]" 1
280 1 25 VAL H 1 25 VAL HB . . 3.300 2.445 2.320 2.636 . 0 0 "[ . 1 ]" 1
281 1 25 VAL H 1 26 LYS H . . 2.870 2.432 2.323 2.588 . 0 0 "[ . 1 ]" 1
282 1 25 VAL HA 1 26 LYS H . . 3.680 3.517 3.432 3.551 . 0 0 "[ . 1 ]" 1
283 1 25 VAL HB 1 26 LYS H . . 3.380 3.066 2.939 3.381 0.001 1 0 "[ . 1 ]" 1
284 1 25 VAL HB 2 3 TYR QD . . 7.640 5.675 4.943 6.251 . 0 0 "[ . 1 ]" 1
285 1 25 VAL HB 2 3 TYR QE . . 7.630 6.217 4.867 7.031 . 0 0 "[ . 1 ]" 1
286 1 25 VAL QG 2 3 TYR QB . . 8.190 2.941 2.146 4.332 . 0 0 "[ . 1 ]" 1
287 1 25 VAL QG 2 3 TYR QD . . 9.170 2.937 2.243 3.499 . 0 0 "[ . 1 ]" 1
288 1 25 VAL QG 2 3 TYR QE . . 9.750 3.585 2.282 4.433 . 0 0 "[ . 1 ]" 1
289 1 25 VAL MG1 1 27 LEU QD . . 5.980 2.858 2.449 3.181 . 0 0 "[ . 1 ]" 1
290 1 26 LYS H 1 26 LYS QD . . 5.480 4.656 4.469 4.977 . 0 0 "[ . 1 ]" 1
291 1 26 LYS H 1 26 LYS HG2 . . 4.230 3.387 2.846 4.326 0.096 14 0 "[ . 1 ]" 1
292 1 26 LYS H 1 26 LYS QG . . 3.920 2.862 2.620 3.423 . 0 0 "[ . 1 ]" 1
293 1 26 LYS H 1 26 LYS HG3 . . 4.230 3.235 2.723 4.151 . 0 0 "[ . 1 ]" 1
294 1 26 LYS H 1 27 LEU H . . 3.550 2.916 2.639 3.128 . 0 0 "[ . 1 ]" 1
295 1 26 LYS HA 1 26 LYS HG2 . . 4.140 2.534 2.310 3.780 . 0 0 "[ . 1 ]" 1
296 1 26 LYS HA 1 26 LYS QG . . 3.900 2.406 2.143 3.365 . 0 0 "[ . 1 ]" 1
297 1 26 LYS HA 1 26 LYS HG3 . . 4.140 3.156 2.351 3.773 . 0 0 "[ . 1 ]" 1
298 1 26 LYS HA 1 27 LEU H . . 3.020 2.651 2.457 2.930 . 0 0 "[ . 1 ]" 1
299 1 26 LYS QB 1 27 LEU H . . 5.110 3.954 3.831 4.041 . 0 0 "[ . 1 ]" 1
300 1 27 LEU QD 1 29 VAL H . . 4.600 2.850 2.250 3.241 . 0 0 "[ . 1 ]" 1
301 1 27 LEU QD 1 30 LEU H . . 5.920 3.061 2.568 3.894 . 0 0 "[ . 1 ]" 1
302 1 27 LEU QD 2 43 TRP HH2 . . 4.600 2.135 1.988 2.394 . 0 0 "[ . 1 ]" 1
303 1 27 LEU QD 2 43 TRP HZ2 . . 4.500 3.208 2.802 3.546 . 0 0 "[ . 1 ]" 1
304 1 27 LEU QD 2 47 ILE MD . . 5.830 3.044 2.673 3.362 . 0 0 "[ . 1 ]" 1
305 1 28 PRO HA 1 31 ALA H . . 3.730 3.187 2.821 3.466 . 0 0 "[ . 1 ]" 1
306 1 28 PRO HA 1 31 ALA MB . . 4.480 2.993 2.510 3.497 . 0 0 "[ . 1 ]" 1
307 1 28 PRO QG 1 29 VAL H . . 5.260 2.713 2.315 4.129 . 0 0 "[ . 1 ]" 1
308 1 29 VAL H 1 29 VAL HB . . 2.650 2.420 2.271 2.607 . 0 0 "[ . 1 ]" 1
309 1 29 VAL H 1 29 VAL MG1 . . 4.670 3.772 3.728 3.836 . 0 0 "[ . 1 ]" 1
310 1 29 VAL H 1 29 VAL MG2 . . 4.670 2.465 2.015 3.087 . 0 0 "[ . 1 ]" 1
311 1 29 VAL H 1 30 LEU H . . 3.330 2.778 1.909 3.036 . 0 0 "[ . 1 ]" 1
312 1 29 VAL HA 1 29 VAL HB . . 2.900 2.979 2.957 2.993 0.093 14 0 "[ . 1 ]" 1
313 1 29 VAL HA 1 30 LEU H . . 3.610 3.603 3.526 3.642 0.032 3 0 "[ . 1 ]" 1
314 1 29 VAL HA 1 32 LYS H . . 3.360 3.180 2.962 3.342 . 0 0 "[ . 1 ]" 1
315 1 29 VAL HA 1 32 LYS QB . . 4.110 2.476 2.262 2.949 . 0 0 "[ . 1 ]" 1
316 1 29 VAL HB 1 30 LEU H . . 3.390 3.076 2.776 3.237 . 0 0 "[ . 1 ]" 1
317 1 29 VAL QG 1 30 LEU H . . 5.260 3.350 3.070 3.571 . 0 0 "[ . 1 ]" 1
318 1 29 VAL QG 2 43 TRP HE1 . . 5.270 3.515 3.131 3.955 . 0 0 "[ . 1 ]" 1
319 1 29 VAL QG 2 43 TRP HZ3 . . 7.440 3.915 2.941 4.853 . 0 0 "[ . 1 ]" 1
320 1 29 VAL MG1 1 30 LEU H . . 5.910 3.522 3.140 3.874 . 0 0 "[ . 1 ]" 1
321 1 29 VAL MG1 2 43 TRP HE1 . . 5.750 3.660 3.176 4.197 . 0 0 "[ . 1 ]" 1
322 1 29 VAL MG1 2 43 TRP HZ2 . . 5.600 2.972 2.060 3.617 . 0 0 "[ . 1 ]" 1
323 1 29 VAL MG2 1 30 LEU H . . 5.910 4.250 4.045 4.383 . 0 0 "[ . 1 ]" 1
324 1 29 VAL MG2 2 43 TRP HE1 . . 5.750 4.666 4.543 4.833 . 0 0 "[ . 1 ]" 1
325 1 29 VAL MG2 2 43 TRP HZ2 . . 5.600 3.429 2.892 3.875 . 0 0 "[ . 1 ]" 1
326 1 30 LEU H 1 30 LEU HB2 . . 3.300 2.117 2.000 2.205 . 0 0 "[ . 1 ]" 1
327 1 30 LEU H 1 30 LEU QB . . 3.100 2.091 1.967 2.180 . 0 0 "[ . 1 ]" 1
328 1 30 LEU H 1 30 LEU HB3 . . 3.300 3.257 2.862 3.436 0.136 1 0 "[ . 1 ]" 1
329 1 30 LEU H 1 30 LEU HG . . 3.790 3.786 3.431 3.921 0.131 4 0 "[ . 1 ]" 1
330 1 30 LEU H 1 31 ALA H . . 3.080 2.641 2.452 2.884 . 0 0 "[ . 1 ]" 1
331 1 30 LEU H 1 32 LYS H . . 3.790 3.868 3.816 3.952 0.162 10 0 "[ . 1 ]" 1
332 1 30 LEU HA 1 30 LEU HG . . 3.730 2.583 2.111 3.656 . 0 0 "[ . 1 ]" 1
333 1 30 LEU HA 1 33 ILE HB . . 3.420 2.481 2.203 2.817 . 0 0 "[ . 1 ]" 1
334 1 30 LEU HA 1 34 LEU H . . 3.860 3.817 3.702 3.901 0.041 13 0 "[ . 1 ]" 1
335 1 30 LEU QB 1 31 ALA H . . 4.760 2.625 2.467 3.239 . 0 0 "[ . 1 ]" 1
336 1 30 LEU QD 1 31 ALA H . . 7.510 3.964 3.602 4.405 . 0 0 "[ . 1 ]" 1
337 1 30 LEU QD 2 7 LEU QD . . 7.380 2.143 1.792 2.552 . 0 0 "[ . 1 ]" 1
338 1 31 ALA H 1 32 LYS H . . 3.050 2.722 2.283 3.118 0.068 7 0 "[ . 1 ]" 1
339 1 31 ALA HA 1 34 LEU H . . 3.360 3.477 3.383 3.593 0.233 8 0 "[ . 1 ]" 1
340 1 31 ALA HA 1 34 LEU QB . . 3.770 3.416 3.281 3.510 . 0 0 "[ . 1 ]" 1
341 1 31 ALA HA 1 34 LEU MD1 . . 4.110 3.559 3.483 3.643 . 0 0 "[ . 1 ]" 1
342 1 31 ALA HA 1 34 LEU QD . . 3.620 2.246 1.993 2.692 . 0 0 "[ . 1 ]" 1
343 1 31 ALA HA 1 34 LEU MD2 . . 4.110 2.274 2.005 2.772 . 0 0 "[ . 1 ]" 1
344 1 31 ALA MB 1 32 LYS H . . 4.170 2.773 2.591 3.019 . 0 0 "[ . 1 ]" 1
345 1 32 LYS H 1 33 ILE H . . 3.170 2.466 2.160 2.652 . 0 0 "[ . 1 ]" 1
346 1 32 LYS H 1 34 LEU H . . 4.040 3.974 3.734 4.089 0.049 5 0 "[ . 1 ]" 1
347 1 32 LYS HA 1 32 LYS QD . . 4.920 3.493 2.190 4.018 . 0 0 "[ . 1 ]" 1
348 1 32 LYS HA 1 33 ILE H . . 3.450 3.499 3.301 3.557 0.107 11 0 "[ . 1 ]" 1
349 1 32 LYS HA 1 35 GLU HB2 . . 3.050 2.970 2.714 3.080 0.030 7 0 "[ . 1 ]" 1
350 1 32 LYS HA 1 35 GLU QB . . 2.760 2.609 2.493 2.722 . 0 0 "[ . 1 ]" 1
351 1 32 LYS HA 1 35 GLU HB3 . . 3.050 2.908 2.740 3.078 0.028 14 0 "[ . 1 ]" 1
352 1 32 LYS QB 1 33 ILE HA . . 5.320 4.043 3.828 4.202 . 0 0 "[ . 1 ]" 1
353 1 33 ILE H 1 33 ILE HB . . 3.170 2.312 2.187 2.505 . 0 0 "[ . 1 ]" 1
354 1 33 ILE H 1 33 ILE MD . . 5.380 3.670 3.478 3.934 . 0 0 "[ . 1 ]" 1
355 1 33 ILE H 1 33 ILE QG . . 5.110 2.558 2.277 2.746 . 0 0 "[ . 1 ]" 1
356 1 33 ILE H 1 34 LEU H . . 2.770 2.529 2.332 2.781 0.011 14 0 "[ . 1 ]" 1
357 1 33 ILE H 1 34 LEU QD . . 6.050 4.731 4.617 4.874 . 0 0 "[ . 1 ]" 1
358 1 33 ILE HA 1 36 ASP QB . . 4.450 3.056 2.786 3.531 . 0 0 "[ . 1 ]" 1
359 1 33 ILE HB 1 34 LEU H . . 3.360 2.615 2.402 2.753 . 0 0 "[ . 1 ]" 1
360 1 33 ILE MD 2 43 TRP HE3 . . 5.910 3.092 2.490 3.620 . 0 0 "[ . 1 ]" 1
361 1 33 ILE MD 2 43 TRP HZ3 . . 6.220 4.102 3.565 5.151 . 0 0 "[ . 1 ]" 1
362 1 33 ILE MG 1 34 LEU H . . 5.690 3.094 2.658 3.369 . 0 0 "[ . 1 ]" 1
363 1 33 ILE MG 1 37 GLU HG2 . . 4.860 2.939 2.644 3.587 . 0 0 "[ . 1 ]" 1
364 1 33 ILE MG 2 40 HIS HE1 . . 5.130 3.946 3.567 4.106 . 0 0 "[ . 1 ]" 1
365 1 34 LEU H 1 34 LEU MD1 . . 5.130 3.822 3.588 4.002 . 0 0 "[ . 1 ]" 1
366 1 34 LEU H 1 34 LEU QD . . 4.810 3.244 3.178 3.341 . 0 0 "[ . 1 ]" 1
367 1 34 LEU H 1 34 LEU MD2 . . 5.130 3.514 3.442 3.680 . 0 0 "[ . 1 ]" 1
368 1 34 LEU H 1 34 LEU HG . . 3.210 2.656 2.424 2.885 . 0 0 "[ . 1 ]" 1
369 1 34 LEU H 1 35 GLU H . . 3.360 2.650 2.504 2.786 . 0 0 "[ . 1 ]" 1
370 1 34 LEU HA 1 34 LEU MD1 . . 4.640 3.372 3.314 3.438 . 0 0 "[ . 1 ]" 1
371 1 34 LEU HA 1 34 LEU QD . . 4.140 3.212 3.155 3.269 . 0 0 "[ . 1 ]" 1
372 1 34 LEU HA 1 34 LEU HG . . 3.860 3.807 3.690 3.899 0.039 11 0 "[ . 1 ]" 1
373 1 34 LEU HA 1 37 GLU H . . 3.700 3.460 3.124 3.746 0.046 1 0 "[ . 1 ]" 1
374 1 34 LEU HA 1 37 GLU QB . . 3.720 2.635 2.330 2.974 . 0 0 "[ . 1 ]" 1
375 1 34 LEU HA 1 37 GLU HG3 . . 3.560 2.949 2.586 3.304 . 0 0 "[ . 1 ]" 1
376 1 34 LEU QD 1 35 GLU H . . 5.540 2.681 2.472 2.886 . 0 0 "[ . 1 ]" 1
377 1 34 LEU QD 1 35 GLU QG . . 7.140 3.771 3.577 4.181 . 0 0 "[ . 1 ]" 1
378 1 34 LEU MD1 1 35 GLU H . . 5.970 2.715 2.489 2.936 . 0 0 "[ . 1 ]" 1
379 1 34 LEU MD2 1 35 GLU H . . 5.970 4.214 3.979 4.580 . 0 0 "[ . 1 ]" 1
380 1 35 GLU H 1 35 GLU HB2 . . 3.170 2.275 2.177 2.366 . 0 0 "[ . 1 ]" 1
381 1 35 GLU H 1 35 GLU HB3 . . 3.170 2.700 2.592 2.767 . 0 0 "[ . 1 ]" 1
382 1 35 GLU H 1 35 GLU HG2 . . 4.760 4.401 4.247 4.556 . 0 0 "[ . 1 ]" 1
383 1 35 GLU H 1 35 GLU QG . . 4.310 3.912 3.858 3.942 . 0 0 "[ . 1 ]" 1
384 1 35 GLU H 1 35 GLU HG3 . . 4.760 4.401 4.183 4.530 . 0 0 "[ . 1 ]" 1
385 1 35 GLU H 1 36 ASP H . . 3.140 2.721 2.481 2.829 . 0 0 "[ . 1 ]" 1
386 1 35 GLU HA 1 35 GLU HB2 . . 3.020 2.583 2.507 2.633 . 0 0 "[ . 1 ]" 1
387 1 35 GLU HA 1 35 GLU QB . . 2.700 2.451 2.397 2.489 . 0 0 "[ . 1 ]" 1
388 1 35 GLU HA 1 35 GLU HB3 . . 3.020 3.049 3.037 3.065 0.045 12 0 "[ . 1 ]" 1
389 1 35 GLU HA 1 35 GLU HG2 . . 3.830 2.554 2.303 2.938 . 0 0 "[ . 1 ]" 1
390 1 35 GLU HA 1 35 GLU QG . . 3.450 2.316 2.261 2.367 . 0 0 "[ . 1 ]" 1
391 1 35 GLU HA 1 35 GLU HG3 . . 3.830 3.093 2.404 3.652 . 0 0 "[ . 1 ]" 1
392 1 35 GLU HA 1 36 ASP H . . 3.610 3.552 3.527 3.578 . 0 0 "[ . 1 ]" 1
393 1 35 GLU HA 1 38 GLU H . . 3.390 3.382 3.235 3.448 0.058 9 0 "[ . 1 ]" 1
394 1 35 GLU HA 1 38 GLU HB2 . . 2.960 2.568 2.246 3.025 0.065 4 0 "[ . 1 ]" 1
395 1 35 GLU HA 1 38 GLU QB . . 2.670 2.409 2.187 2.547 . 0 0 "[ . 1 ]" 1
396 1 35 GLU HA 1 38 GLU HB3 . . 3.360 3.089 2.244 3.346 . 0 0 "[ . 1 ]" 1
397 1 35 GLU HB2 1 36 ASP H . . 3.480 3.547 3.528 3.578 0.098 4 0 "[ . 1 ]" 1
398 1 35 GLU HB3 1 36 ASP H . . 3.480 2.333 2.230 2.423 . 0 0 "[ . 1 ]" 1
399 1 36 ASP H 1 36 ASP HB2 . . 3.360 2.375 2.147 2.534 . 0 0 "[ . 1 ]" 1
400 1 36 ASP H 1 36 ASP QB . . 3.180 2.243 2.112 2.309 . 0 0 "[ . 1 ]" 1
401 1 36 ASP H 1 36 ASP HB3 . . 3.360 2.807 2.652 3.140 . 0 0 "[ . 1 ]" 1
402 1 36 ASP H 1 37 GLU H . . 3.330 2.829 2.749 2.911 . 0 0 "[ . 1 ]" 1
403 1 36 ASP HA 1 39 LYS H . . 3.790 3.549 3.333 3.791 0.001 4 0 "[ . 1 ]" 1
404 1 36 ASP HA 1 39 LYS QB . . 4.580 3.238 2.703 3.655 . 0 0 "[ . 1 ]" 1
405 1 36 ASP QB 2 40 HIS HE1 . . 4.060 2.759 2.065 3.519 . 0 0 "[ . 1 ]" 1
406 1 36 ASP HB2 2 40 HIS HE1 . . 4.230 3.404 2.824 4.015 . 0 0 "[ . 1 ]" 1
407 1 36 ASP HB3 2 40 HIS HE1 . . 4.230 2.968 2.123 3.891 . 0 0 "[ . 1 ]" 1
408 1 37 GLU H 1 37 GLU QB . . 3.520 2.525 2.436 2.596 . 0 0 "[ . 1 ]" 1
409 1 37 GLU H 1 37 GLU HG2 . . 4.570 2.195 2.063 2.441 . 0 0 "[ . 1 ]" 1
410 1 37 GLU H 1 37 GLU HG3 . . 3.520 3.339 2.800 3.535 0.015 10 0 "[ . 1 ]" 1
411 1 37 GLU H 1 38 GLU H . . 3.110 2.882 2.769 3.021 . 0 0 "[ . 1 ]" 1
412 1 37 GLU HA 1 40 HIS H . . 3.520 3.344 3.167 3.555 0.035 4 0 "[ . 1 ]" 1
413 1 37 GLU HA 1 40 HIS QB . . 4.760 2.550 2.251 2.981 . 0 0 "[ . 1 ]" 1
414 1 38 GLU H 1 38 GLU HB2 . . 3.110 2.027 1.950 2.423 . 0 0 "[ . 1 ]" 1
415 1 38 GLU H 1 38 GLU HB3 . . 3.110 2.890 2.101 3.101 . 0 0 "[ . 1 ]" 1
416 1 38 GLU H 1 38 GLU HG2 . . 3.760 3.836 3.762 3.944 0.184 4 0 "[ . 1 ]" 1
417 1 38 GLU H 1 38 GLU HG3 . . 3.960 4.071 4.017 4.146 0.186 4 0 "[ . 1 ]" 1
418 1 38 GLU H 1 39 LYS H . . 3.170 2.926 2.781 3.011 . 0 0 "[ . 1 ]" 1
419 1 38 GLU H 1 39 LYS QB . . 5.070 4.632 4.539 4.660 . 0 0 "[ . 1 ]" 1
420 1 38 GLU HA 1 38 GLU HG2 . . 4.040 2.260 2.123 3.342 . 0 0 "[ . 1 ]" 1
421 1 38 GLU HA 1 38 GLU QG . . 3.730 2.177 2.104 2.456 . 0 0 "[ . 1 ]" 1
422 1 38 GLU HA 1 38 GLU HG3 . . 4.040 3.406 2.527 3.511 . 0 0 "[ . 1 ]" 1
423 1 38 GLU HA 1 41 ILE H . . 3.640 3.535 3.376 3.668 0.028 14 0 "[ . 1 ]" 1
424 1 38 GLU HA 1 41 ILE HB . . 2.770 2.604 2.283 2.850 0.080 11 0 "[ . 1 ]" 1
425 1 38 GLU HA 1 41 ILE QG . . 5.940 4.167 3.680 4.624 . 0 0 "[ . 1 ]" 1
426 1 38 GLU QB 1 39 LYS H . . 4.490 2.672 2.505 2.830 . 0 0 "[ . 1 ]" 1
427 1 39 LYS H 1 39 LYS QD . . 5.480 4.381 3.960 4.709 . 0 0 "[ . 1 ]" 1
428 1 39 LYS H 1 40 HIS H . . 3.110 2.714 2.594 2.808 . 0 0 "[ . 1 ]" 1
429 1 39 LYS HA 1 42 GLU H . . 3.390 3.182 2.946 3.393 0.003 1 0 "[ . 1 ]" 1
430 1 39 LYS HA 1 42 GLU HB2 . . 2.800 2.585 2.350 2.805 0.005 1 0 "[ . 1 ]" 1
431 1 39 LYS HA 1 42 GLU HB3 . . 2.800 2.568 2.348 2.730 . 0 0 "[ . 1 ]" 1
432 1 39 LYS HA 1 43 TRP H . . 4.200 4.268 4.223 4.343 0.143 13 0 "[ . 1 ]" 1
433 1 39 LYS QB 1 40 HIS H . . 4.520 2.519 2.411 2.727 . 0 0 "[ . 1 ]" 1
434 1 39 LYS QG 1 40 HIS H . . 6.220 3.725 3.478 4.170 . 0 0 "[ . 1 ]" 1
435 1 40 HIS H 1 40 HIS HB2 . . 3.700 2.299 2.114 2.422 . 0 0 "[ . 1 ]" 1
436 1 40 HIS H 1 40 HIS HB3 . . 3.700 3.535 3.413 3.587 . 0 0 "[ . 1 ]" 1
437 1 40 HIS H 1 41 ILE H . . 3.360 2.678 2.510 2.762 . 0 0 "[ . 1 ]" 1
438 1 40 HIS HE1 2 33 ILE MG . . 5.130 4.077 3.997 4.255 . 0 0 "[ . 1 ]" 1
439 1 40 HIS HE1 2 36 ASP HB2 . . 4.230 2.892 2.243 3.574 . 0 0 "[ . 1 ]" 1
440 1 40 HIS HE1 2 36 ASP QB . . 4.060 2.518 2.033 3.287 . 0 0 "[ . 1 ]" 1
441 1 40 HIS HE1 2 36 ASP HB3 . . 4.230 2.818 2.142 3.836 . 0 0 "[ . 1 ]" 1
442 1 41 ILE H 1 41 ILE HB . . 3.050 2.305 2.175 2.481 . 0 0 "[ . 1 ]" 1
443 1 41 ILE H 1 41 ILE MD . . 4.920 3.042 2.054 3.316 . 0 0 "[ . 1 ]" 1
444 1 41 ILE H 1 41 ILE MG . . 4.570 3.715 3.644 3.797 . 0 0 "[ . 1 ]" 1
445 1 41 ILE H 1 42 GLU H . . 3.360 2.497 2.342 2.675 . 0 0 "[ . 1 ]" 1
446 1 41 ILE H 1 43 TRP H . . 4.010 4.079 3.988 4.161 0.151 13 0 "[ . 1 ]" 1
447 1 41 ILE HA 1 41 ILE MD . . 4.700 3.698 2.778 3.913 . 0 0 "[ . 1 ]" 1
448 1 41 ILE HA 1 44 LEU QB . . 4.210 3.266 2.756 3.411 . 0 0 "[ . 1 ]" 1
449 1 41 ILE MG 1 42 GLU H . . 4.790 3.450 3.072 3.731 . 0 0 "[ . 1 ]" 1
450 1 42 GLU H 1 42 GLU HB2 . . 2.900 2.374 2.312 2.458 . 0 0 "[ . 1 ]" 1
451 1 42 GLU H 1 42 GLU HB3 . . 2.900 2.725 2.521 2.854 . 0 0 "[ . 1 ]" 1
452 1 42 GLU H 1 42 GLU HG2 . . 4.630 4.460 4.379 4.515 . 0 0 "[ . 1 ]" 1
453 1 42 GLU H 1 42 GLU QG . . 4.260 3.918 3.883 3.959 . 0 0 "[ . 1 ]" 1
454 1 42 GLU H 1 42 GLU HG3 . . 4.630 4.345 4.252 4.486 . 0 0 "[ . 1 ]" 1
455 1 42 GLU H 1 43 TRP H . . 3.240 2.790 2.525 3.055 . 0 0 "[ . 1 ]" 1
456 1 42 GLU HA 1 42 GLU QB . . 2.730 2.439 2.393 2.461 . 0 0 "[ . 1 ]" 1
457 1 42 GLU HA 1 42 GLU HG2 . . 4.170 2.619 2.335 2.798 . 0 0 "[ . 1 ]" 1
458 1 42 GLU HA 1 42 GLU QG . . 3.870 2.363 2.279 2.420 . 0 0 "[ . 1 ]" 1
459 1 42 GLU HA 1 42 GLU HG3 . . 4.170 2.786 2.546 3.276 . 0 0 "[ . 1 ]" 1
460 1 42 GLU HA 1 44 LEU H . . 4.110 4.068 3.730 4.149 0.039 12 0 "[ . 1 ]" 1
461 1 42 GLU HA 1 45 GLU H . . 3.670 3.046 2.809 3.222 . 0 0 "[ . 1 ]" 1
462 1 42 GLU HA 1 45 GLU QB . . 3.960 2.616 2.236 3.363 . 0 0 "[ . 1 ]" 1
463 1 42 GLU QB 1 43 TRP H . . 4.050 2.653 2.485 2.822 . 0 0 "[ . 1 ]" 1
464 1 43 TRP H 1 43 TRP HB2 . . 3.420 2.155 2.079 2.448 . 0 0 "[ . 1 ]" 1
465 1 43 TRP H 1 43 TRP HB3 . . 3.420 2.789 2.658 2.865 . 0 0 "[ . 1 ]" 1
466 1 43 TRP H 1 43 TRP HD1 . . 4.230 4.318 4.260 4.492 0.262 13 0 "[ . 1 ]" 1
467 1 43 TRP H 1 43 TRP HE3 . . 4.970 5.084 5.028 5.107 0.137 4 0 "[ . 1 ]" 1
468 1 43 TRP H 1 44 LEU H . . 3.330 2.846 2.755 2.932 . 0 0 "[ . 1 ]" 1
469 1 43 TRP HA 1 43 TRP HD1 . . 3.550 2.957 2.102 3.220 . 0 0 "[ . 1 ]" 1
470 1 43 TRP HA 1 44 LEU H . . 3.580 3.544 3.475 3.584 0.004 7 0 "[ . 1 ]" 1
471 1 43 TRP HB2 1 44 LEU H . . 3.640 3.704 3.663 3.769 0.129 8 0 "[ . 1 ]" 1
472 1 43 TRP HB3 1 44 LEU H . . 3.640 2.670 2.497 2.907 . 0 0 "[ . 1 ]" 1
473 1 43 TRP HD1 1 46 THR MG . . 5.880 4.143 3.431 4.755 . 0 0 "[ . 1 ]" 1
474 1 43 TRP HE1 2 29 VAL MG1 . . 5.750 3.739 3.420 4.206 . 0 0 "[ . 1 ]" 1
475 1 43 TRP HE1 2 29 VAL QG . . 5.270 3.573 3.325 3.930 . 0 0 "[ . 1 ]" 1
476 1 43 TRP HE1 2 29 VAL MG2 . . 5.750 4.598 4.415 4.716 . 0 0 "[ . 1 ]" 1
477 1 43 TRP HE3 1 44 LEU H . . 4.290 3.725 3.386 3.994 . 0 0 "[ . 1 ]" 1
478 1 43 TRP HE3 1 44 LEU HA . . 4.720 3.229 2.738 3.936 . 0 0 "[ . 1 ]" 1
479 1 43 TRP HE3 1 44 LEU QD . . 6.760 3.234 2.674 3.753 . 0 0 "[ . 1 ]" 1
480 1 43 TRP HE3 1 44 LEU HG . . 3.060 2.548 2.197 3.117 0.057 1 0 "[ . 1 ]" 1
481 1 43 TRP HE3 2 33 ILE MD . . 5.910 2.936 1.983 3.489 . 0 0 "[ . 1 ]" 1
482 1 43 TRP HH2 2 27 LEU QD . . 4.600 2.089 1.966 2.244 . 0 0 "[ . 1 ]" 1
483 1 43 TRP HZ2 2 27 LEU QD . . 4.500 3.209 2.659 3.530 . 0 0 "[ . 1 ]" 1
484 1 43 TRP HZ2 2 29 VAL MG1 . . 5.600 3.349 2.561 3.879 . 0 0 "[ . 1 ]" 1
485 1 43 TRP HZ2 2 29 VAL MG2 . . 5.600 3.465 2.738 4.054 . 0 0 "[ . 1 ]" 1
486 1 43 TRP HZ3 2 29 VAL QG . . 7.440 4.086 2.966 5.106 . 0 0 "[ . 1 ]" 1
487 1 43 TRP HZ3 2 33 ILE MD . . 6.220 3.941 2.871 4.641 . 0 0 "[ . 1 ]" 1
488 1 44 LEU H 1 44 LEU HG . . 3.140 2.980 2.649 3.208 0.068 7 0 "[ . 1 ]" 1
489 1 44 LEU H 1 45 GLU H . . 3.300 2.512 2.219 2.758 . 0 0 "[ . 1 ]" 1
490 1 44 LEU H 1 46 THR H . . 4.110 4.123 3.937 4.220 0.110 10 0 "[ . 1 ]" 1
491 1 44 LEU HA 1 44 LEU HG . . 3.240 2.456 2.233 2.806 . 0 0 "[ . 1 ]" 1
492 1 44 LEU HA 1 45 GLU H . . 3.580 3.531 3.443 3.621 0.041 14 0 "[ . 1 ]" 1
493 1 44 LEU HA 1 47 ILE H . . 4.010 3.754 3.142 4.062 0.052 2 0 "[ . 1 ]" 1
494 1 44 LEU HA 1 47 ILE HB . . 3.240 3.145 2.707 3.459 0.219 8 0 "[ . 1 ]" 1
495 1 44 LEU QB 1 45 GLU H . . 4.640 2.911 2.377 3.459 . 0 0 "[ . 1 ]" 1
496 1 45 GLU H 1 45 GLU HG2 . . 3.860 3.146 2.589 3.807 . 0 0 "[ . 1 ]" 1
497 1 45 GLU H 1 45 GLU QG . . 3.660 2.668 2.158 3.308 . 0 0 "[ . 1 ]" 1
498 1 45 GLU H 1 45 GLU HG3 . . 3.860 3.227 2.206 3.933 0.073 13 0 "[ . 1 ]" 1
499 1 45 GLU H 1 46 THR H . . 3.140 2.568 1.962 3.149 0.009 10 0 "[ . 1 ]" 1
500 1 45 GLU H 1 46 THR MG . . 5.350 4.252 3.829 4.427 . 0 0 "[ . 1 ]" 1
501 1 45 GLU HA 1 45 GLU HG2 . . 3.920 2.778 2.210 3.785 . 0 0 "[ . 1 ]" 1
502 1 45 GLU HA 1 45 GLU QG . . 3.470 2.601 2.185 3.276 . 0 0 "[ . 1 ]" 1
503 1 45 GLU HA 1 45 GLU HG3 . . 3.920 3.449 2.970 3.673 . 0 0 "[ . 1 ]" 1
504 1 45 GLU HA 1 46 THR H . . 3.210 3.201 2.824 3.412 0.202 7 0 "[ . 1 ]" 1
505 1 46 THR H 1 46 THR HB . . 3.110 2.685 2.228 3.249 0.139 13 0 "[ . 1 ]" 1
506 1 46 THR H 1 46 THR MG . . 4.510 2.856 2.538 3.243 . 0 0 "[ . 1 ]" 1
507 1 46 THR H 1 47 ILE H . . 2.800 2.204 1.751 2.833 0.033 8 0 "[ . 1 ]" 1
508 1 46 THR H 1 47 ILE MG . . 4.200 3.251 3.077 3.496 . 0 0 "[ . 1 ]" 1
509 1 46 THR HA 1 47 ILE H . . 3.610 3.485 3.371 3.565 . 0 0 "[ . 1 ]" 1
510 1 46 THR HB 1 47 ILE H . . 3.390 3.490 3.437 3.600 0.210 10 0 "[ . 1 ]" 1
511 1 46 THR MG 1 47 ILE H . . 5.230 2.263 1.862 4.326 . 0 0 "[ . 1 ]" 1
512 1 47 ILE H 1 47 ILE HB . . 2.960 2.543 2.190 2.914 . 0 0 "[ . 1 ]" 1
513 1 47 ILE H 1 47 ILE MD . . 4.700 3.901 3.734 4.048 . 0 0 "[ . 1 ]" 1
514 1 47 ILE H 1 47 ILE QG . . 4.860 4.183 3.942 4.434 . 0 0 "[ . 1 ]" 1
515 1 47 ILE H 1 47 ILE MG . . 4.640 2.511 1.795 3.319 . 0 0 "[ . 1 ]" 1
516 1 47 ILE HA 1 47 ILE MD . . 4.020 2.543 2.092 3.348 . 0 0 "[ . 1 ]" 1
517 1 47 ILE MD 2 27 LEU QD . . 5.830 3.077 2.426 3.547 . 0 0 "[ . 1 ]" 1
518 2 2 ASP H 2 2 ASP HB2 . . 3.300 2.549 2.102 3.340 0.040 11 0 "[ . 1 ]" 1
519 2 2 ASP H 2 2 ASP QB . . 3.090 2.293 2.082 2.691 . 0 0 "[ . 1 ]" 1
520 2 2 ASP H 2 2 ASP HB3 . . 3.300 2.761 2.483 3.433 0.133 9 0 "[ . 1 ]" 1
521 2 2 ASP H 2 3 TYR H . . 3.270 2.991 2.245 3.295 0.025 5 0 "[ . 1 ]" 1
522 2 2 ASP HA 2 3 TYR H . . 3.580 3.583 3.534 3.608 0.028 5 0 "[ . 1 ]" 1
523 2 2 ASP HA 2 5 ARG H . . 4.290 3.669 3.192 4.194 . 0 0 "[ . 1 ]" 1
524 2 2 ASP HB2 2 3 TYR H . . 3.950 3.597 2.511 3.861 . 0 0 "[ . 1 ]" 1
525 2 2 ASP HB3 2 3 TYR H . . 3.950 2.398 2.066 2.733 . 0 0 "[ . 1 ]" 1
526 2 3 TYR H 2 3 TYR HB2 . . 3.360 2.735 2.359 3.462 0.102 14 0 "[ . 1 ]" 1
527 2 3 TYR H 2 3 TYR HB3 . . 3.360 3.131 2.213 3.493 0.133 5 0 "[ . 1 ]" 1
528 2 3 TYR H 2 4 LEU H . . 3.390 3.025 2.727 3.427 0.037 2 0 "[ . 1 ]" 1
529 2 3 TYR HA 2 4 LEU H . . 3.570 3.580 3.534 3.608 0.038 5 0 "[ . 1 ]" 1
530 2 3 TYR HB2 2 4 LEU H . . 3.760 2.879 2.369 3.799 0.039 7 0 "[ . 1 ]" 1
531 2 3 TYR HB3 2 4 LEU H . . 3.760 3.494 2.342 3.809 0.049 7 0 "[ . 1 ]" 1
532 2 3 TYR QD 2 4 LEU H . . 7.640 3.901 3.024 4.541 . 0 0 "[ . 1 ]" 1
533 2 3 TYR QD 2 4 LEU QD . . 9.770 4.173 3.146 4.843 . 0 0 "[ . 1 ]" 1
534 2 3 TYR QD 2 7 LEU HG . . 7.520 5.889 4.731 6.605 . 0 0 "[ . 1 ]" 1
535 2 3 TYR QE 2 4 LEU QD . . 9.760 5.071 2.700 6.452 . 0 0 "[ . 1 ]" 1
536 2 4 LEU H 2 4 LEU HA . . 2.830 2.858 2.797 2.947 0.117 3 0 "[ . 1 ]" 1
537 2 4 LEU H 2 4 LEU HG . . 3.270 2.491 2.104 3.300 0.030 14 0 "[ . 1 ]" 1
538 2 4 LEU HA 2 4 LEU HG . . 3.360 2.968 2.224 3.259 . 0 0 "[ . 1 ]" 1
539 2 4 LEU HA 2 6 GLU H . . 3.450 3.552 3.437 3.650 0.200 13 0 "[ . 1 ]" 1
540 2 4 LEU HA 2 7 LEU QB . . 4.920 3.577 3.055 4.117 . 0 0 "[ . 1 ]" 1
541 2 4 LEU QB 2 5 ARG H . . 4.420 2.792 2.449 3.837 . 0 0 "[ . 1 ]" 1
542 2 4 LEU QD 2 47 ILE MD . . 7.360 4.126 3.776 4.464 . 0 0 "[ . 1 ]" 1
543 2 4 LEU QD 2 47 ILE QG . . 6.990 3.455 2.855 4.076 . 0 0 "[ . 1 ]" 1
544 2 4 LEU QD 2 47 ILE MG . . 7.610 2.955 2.196 3.602 . 0 0 "[ . 1 ]" 1
545 2 5 ARG H 2 5 ARG QB . . 3.900 2.473 2.229 2.923 . 0 0 "[ . 1 ]" 1
546 2 5 ARG H 2 5 ARG HE . . 5.310 4.455 3.766 4.890 . 0 0 "[ . 1 ]" 1
547 2 5 ARG H 2 5 ARG HG2 . . 3.920 2.857 2.212 3.644 . 0 0 "[ . 1 ]" 1
548 2 5 ARG H 2 5 ARG QG . . 3.230 2.334 2.056 2.764 . 0 0 "[ . 1 ]" 1
549 2 5 ARG H 2 5 ARG HG3 . . 3.920 2.933 2.077 3.805 . 0 0 "[ . 1 ]" 1
550 2 5 ARG H 2 6 GLU H . . 2.770 2.644 2.124 2.817 0.047 6 0 "[ . 1 ]" 1
551 2 5 ARG HA 2 5 ARG HG2 . . 4.110 2.858 2.321 3.818 . 0 0 "[ . 1 ]" 1
552 2 5 ARG HA 2 5 ARG QG . . 3.840 2.695 2.245 3.350 . 0 0 "[ . 1 ]" 1
553 2 5 ARG HA 2 5 ARG HG3 . . 4.110 3.460 2.854 3.824 . 0 0 "[ . 1 ]" 1
554 2 5 ARG HA 2 6 GLU H . . 3.640 3.392 3.120 3.538 . 0 0 "[ . 1 ]" 1
555 2 6 GLU HA 2 10 LEU H . . 3.760 3.466 2.913 3.793 0.033 1 0 "[ . 1 ]" 1
556 2 6 GLU QB 2 7 LEU QD . . 5.380 2.371 2.025 3.470 . 0 0 "[ . 1 ]" 1
557 2 7 LEU H 2 7 LEU HG . . 3.790 3.514 2.901 3.865 0.075 13 0 "[ . 1 ]" 1
558 2 7 LEU H 2 8 LEU H . . 2.800 2.812 2.392 2.953 0.153 14 0 "[ . 1 ]" 1
559 2 7 LEU HA 2 7 LEU HG . . 2.770 2.678 2.375 2.925 0.155 14 0 "[ . 1 ]" 1
560 2 7 LEU HG 2 44 LEU QD . . 5.560 3.981 3.756 4.128 . 0 0 "[ . 1 ]" 1
561 2 8 LEU H 2 8 LEU HA . . 2.740 2.884 2.709 2.911 0.171 4 0 "[ . 1 ]" 1
562 2 8 LEU H 2 9 LYS H . . 2.960 2.311 2.081 2.635 . 0 0 "[ . 1 ]" 1
563 2 8 LEU H 2 10 LEU H . . 3.480 3.143 2.750 3.585 0.105 4 0 "[ . 1 ]" 1
564 2 8 LEU H 2 44 LEU QD . . 6.610 3.881 3.129 4.371 . 0 0 "[ . 1 ]" 1
565 2 8 LEU HA 2 9 LYS H . . 3.630 3.605 3.566 3.655 0.025 10 0 "[ . 1 ]" 1
566 2 8 LEU HA 2 11 GLU H . . 3.700 3.461 3.154 3.742 0.042 14 0 "[ . 1 ]" 1
567 2 8 LEU HA 2 11 GLU QB . . 3.530 2.573 2.250 2.882 . 0 0 "[ . 1 ]" 1
568 2 9 LYS H 2 9 LYS HA . . 2.680 2.785 2.750 2.813 0.133 12 0 "[ . 1 ]" 1
569 2 9 LYS H 2 9 LYS QB . . 3.900 2.253 2.028 2.545 . 0 0 "[ . 1 ]" 1
570 2 9 LYS H 2 9 LYS QD . . 5.760 4.120 3.406 4.575 . 0 0 "[ . 1 ]" 1
571 2 9 LYS H 2 10 LEU H . . 3.080 2.712 2.559 2.931 . 0 0 "[ . 1 ]" 1
572 2 9 LYS H 2 11 GLU H . . 3.890 3.938 3.860 3.989 0.099 3 0 "[ . 1 ]" 1
573 2 9 LYS HA 2 9 LYS QD . . 4.950 3.716 2.649 4.067 . 0 0 "[ . 1 ]" 1
574 2 9 LYS HA 2 10 LEU H . . 3.610 3.556 3.513 3.590 . 0 0 "[ . 1 ]" 1
575 2 9 LYS HA 2 12 LEU H . . 3.360 3.323 3.090 3.423 0.063 14 0 "[ . 1 ]" 1
576 2 10 LEU H 2 10 LEU HG . . 2.830 2.506 2.119 2.838 0.008 14 0 "[ . 1 ]" 1
577 2 10 LEU H 2 11 GLU H . . 3.240 2.610 2.486 2.782 . 0 0 "[ . 1 ]" 1
578 2 10 LEU H 2 12 LEU H . . 4.110 4.156 4.111 4.188 0.078 5 0 "[ . 1 ]" 1
579 2 10 LEU HA 2 10 LEU HG . . 3.210 2.921 2.565 3.220 0.010 11 0 "[ . 1 ]" 1
580 2 10 LEU HA 2 13 GLN H . . 3.670 3.581 3.353 3.728 0.058 7 0 "[ . 1 ]" 1
581 2 10 LEU QB 2 11 GLU H . . 4.070 2.934 2.604 3.363 . 0 0 "[ . 1 ]" 1
582 2 10 LEU QD 2 11 GLU H . . 7.070 4.316 4.121 4.504 . 0 0 "[ . 1 ]" 1
583 2 11 GLU H 2 11 GLU HB2 . . 2.720 2.460 2.144 2.727 0.007 13 0 "[ . 1 ]" 1
584 2 11 GLU H 2 11 GLU HB3 . . 3.520 3.524 3.405 3.573 0.053 14 0 "[ . 1 ]" 1
585 2 11 GLU H 2 11 GLU QG . . 4.070 2.507 2.084 3.454 . 0 0 "[ . 1 ]" 1
586 2 11 GLU H 2 12 LEU H . . 3.300 2.530 2.159 2.998 . 0 0 "[ . 1 ]" 1
587 2 11 GLU H 2 41 ILE MG . . 5.040 4.166 4.073 4.333 . 0 0 "[ . 1 ]" 1
588 2 11 GLU HA 2 11 GLU HB3 . . 2.920 2.421 2.262 2.692 . 0 0 "[ . 1 ]" 1
589 2 11 GLU HA 2 14 LEU H . . 3.890 3.461 3.269 3.707 . 0 0 "[ . 1 ]" 1
590 2 11 GLU HA 2 14 LEU HB2 . . 3.580 3.437 3.075 3.666 0.086 3 0 "[ . 1 ]" 1
591 2 11 GLU HA 2 14 LEU HG . . 2.680 2.419 2.080 2.842 0.162 3 0 "[ . 1 ]" 1
592 2 11 GLU QB 2 12 LEU H . . 3.770 2.534 2.403 2.705 . 0 0 "[ . 1 ]" 1
593 2 11 GLU QB 2 41 ILE MG . . 5.300 2.062 1.882 2.284 . 0 0 "[ . 1 ]" 1
594 2 11 GLU HB2 2 12 LEU H . . 4.170 2.606 2.450 2.803 . 0 0 "[ . 1 ]" 1
595 2 11 GLU HB3 2 12 LEU H . . 4.170 3.534 2.994 3.825 . 0 0 "[ . 1 ]" 1
596 2 11 GLU HB3 2 41 ILE QG . . 2.780 2.084 1.953 2.194 . 0 0 "[ . 1 ]" 1
597 2 11 GLU QG 2 12 LEU H . . 5.260 4.098 3.628 4.445 . 0 0 "[ . 1 ]" 1
598 2 11 GLU QG 2 41 ILE QG . . 3.700 2.242 2.102 2.579 . 0 0 "[ . 1 ]" 1
599 2 11 GLU QG 2 44 LEU QD . . 4.900 2.882 2.377 3.033 . 0 0 "[ . 1 ]" 1
600 2 12 LEU H 2 13 GLN H . . 3.110 2.830 2.633 2.995 . 0 0 "[ . 1 ]" 1
601 2 12 LEU HA 2 15 ILE H . . 3.700 3.449 3.212 3.625 . 0 0 "[ . 1 ]" 1
602 2 12 LEU HA 2 15 ILE HB . . 2.900 2.930 2.752 3.048 0.148 9 0 "[ . 1 ]" 1
603 2 13 GLN H 2 13 GLN HG2 . . 4.350 3.344 1.948 4.416 0.066 6 0 "[ . 1 ]" 1
604 2 13 GLN H 2 13 GLN HG3 . . 4.350 3.421 2.449 4.394 0.044 14 0 "[ . 1 ]" 1
605 2 13 GLN H 2 14 LEU H . . 3.110 2.816 2.675 2.941 . 0 0 "[ . 1 ]" 1
606 2 13 GLN HA 2 13 GLN HG2 . . 3.920 3.233 2.372 3.827 . 0 0 "[ . 1 ]" 1
607 2 13 GLN HA 2 13 GLN HG3 . . 3.920 3.094 2.227 3.773 . 0 0 "[ . 1 ]" 1
608 2 13 GLN HA 2 16 LYS H . . 3.550 3.571 3.418 3.721 0.171 9 0 "[ . 1 ]" 1
609 2 14 LEU H 2 14 LEU HB2 . . 3.300 2.678 2.560 3.188 . 0 0 "[ . 1 ]" 1
610 2 14 LEU H 2 14 LEU HB3 . . 3.600 3.512 2.040 3.644 0.044 13 0 "[ . 1 ]" 1
611 2 14 LEU H 2 14 LEU HG . . 3.580 2.443 2.012 3.585 0.005 3 0 "[ . 1 ]" 1
612 2 14 LEU H 2 15 ILE H . . 3.390 2.519 2.290 2.697 . 0 0 "[ . 1 ]" 1
613 2 14 LEU H 2 16 LYS H . . 4.350 3.882 3.552 4.468 0.118 9 0 "[ . 1 ]" 1
614 2 14 LEU H 2 17 GLN H . . 4.200 4.371 4.311 4.520 0.320 11 0 "[ . 1 ]" 1
615 2 14 LEU HA 2 14 LEU HG . . 3.730 3.410 3.221 3.747 0.017 3 0 "[ . 1 ]" 1
616 2 14 LEU HA 2 17 GLN QB . . 4.520 2.375 2.083 2.656 . 0 0 "[ . 1 ]" 1
617 2 14 LEU HA 2 18 TYR QD . . 7.640 3.983 3.574 5.419 . 0 0 "[ . 1 ]" 1
618 2 14 LEU QB 2 15 ILE H . . 4.520 2.392 2.042 3.044 . 0 0 "[ . 1 ]" 1
619 2 14 LEU QB 2 18 TYR QE . . 8.510 2.936 2.289 5.406 . 0 0 "[ . 1 ]" 1
620 2 14 LEU QD 2 18 TYR QD . . 9.710 3.829 2.725 4.185 . 0 0 "[ . 1 ]" 1
621 2 14 LEU HG 2 15 ILE H . . 4.320 3.914 2.620 4.354 0.034 10 0 "[ . 1 ]" 1
622 2 15 ILE H 2 15 ILE HB . . 3.020 2.316 2.152 2.603 . 0 0 "[ . 1 ]" 1
623 2 15 ILE H 2 15 ILE MD . . 4.920 2.319 1.998 2.782 . 0 0 "[ . 1 ]" 1
624 2 15 ILE H 2 15 ILE MG . . 4.480 3.712 3.624 3.786 . 0 0 "[ . 1 ]" 1
625 2 15 ILE H 2 16 LYS H . . 3.270 2.780 2.626 3.027 . 0 0 "[ . 1 ]" 1
626 2 15 ILE HA 2 15 ILE MD . . 3.830 2.254 2.021 2.588 . 0 0 "[ . 1 ]" 1
627 2 15 ILE HA 2 18 TYR H . . 3.450 3.407 3.188 3.489 0.039 11 0 "[ . 1 ]" 1
628 2 15 ILE HA 2 18 TYR HB2 . . 3.580 2.261 2.151 2.351 . 0 0 "[ . 1 ]" 1
629 2 15 ILE HA 2 18 TYR QB . . 3.410 2.241 2.136 2.324 . 0 0 "[ . 1 ]" 1
630 2 15 ILE HA 2 18 TYR HB3 . . 3.580 3.667 3.636 3.718 0.138 13 0 "[ . 1 ]" 1
631 2 15 ILE HA 2 18 TYR QD . . 6.150 2.625 2.185 3.855 . 0 0 "[ . 1 ]" 1
632 2 15 ILE HA 2 18 TYR QE . . 7.540 4.671 4.336 5.404 . 0 0 "[ . 1 ]" 1
633 2 15 ILE MD 2 16 LYS H . . 5.290 4.292 4.082 4.577 . 0 0 "[ . 1 ]" 1
634 2 15 ILE MD 2 37 GLU H . . 5.970 4.518 3.885 5.041 . 0 0 "[ . 1 ]" 1
635 2 15 ILE QG 2 38 GLU QB . . 7.250 3.213 2.673 3.983 . 0 0 "[ . 1 ]" 1
636 2 15 ILE MG 2 16 LYS H . . 4.950 3.289 2.895 4.161 . 0 0 "[ . 1 ]" 1
637 2 15 ILE MG 2 38 GLU QB . . 5.050 3.409 2.842 3.562 . 0 0 "[ . 1 ]" 1
638 2 15 ILE MG 2 38 GLU QG . . 5.640 2.303 2.099 3.354 . 0 0 "[ . 1 ]" 1
639 2 16 LYS H 2 16 LYS HB2 . . 2.990 2.193 1.930 2.679 . 0 0 "[ . 1 ]" 1
640 2 16 LYS H 2 16 LYS QB . . 2.790 2.090 1.915 2.425 . 0 0 "[ . 1 ]" 1
641 2 16 LYS H 2 16 LYS HB3 . . 2.990 2.960 2.262 3.182 0.192 9 0 "[ . 1 ]" 1
642 2 16 LYS H 2 16 LYS QD . . 4.330 3.347 2.194 4.041 . 0 0 "[ . 1 ]" 1
643 2 16 LYS H 2 17 GLN H . . 3.080 2.713 1.677 3.073 . 0 0 "[ . 1 ]" 1
644 2 16 LYS H 2 18 TYR H . . 4.010 3.933 2.722 4.121 0.111 9 0 "[ . 1 ]" 1
645 2 16 LYS H 2 34 LEU QD . . 6.860 5.151 5.044 5.367 . 0 0 "[ . 1 ]" 1
646 2 16 LYS HA 2 19 ARG H . . 3.610 3.522 3.368 3.631 0.021 1 0 "[ . 1 ]" 1
647 2 16 LYS HA 2 19 ARG QB . . 4.020 3.022 2.722 3.260 . 0 0 "[ . 1 ]" 1
648 2 17 GLN H 2 17 GLN HG2 . . 4.630 3.763 2.580 4.519 . 0 0 "[ . 1 ]" 1
649 2 17 GLN H 2 17 GLN QG . . 4.260 3.263 2.291 3.899 . 0 0 "[ . 1 ]" 1
650 2 17 GLN H 2 17 GLN HG3 . . 4.630 3.810 2.315 4.260 . 0 0 "[ . 1 ]" 1
651 2 17 GLN H 2 18 TYR H . . 3.240 2.569 2.505 2.644 . 0 0 "[ . 1 ]" 1
652 2 17 GLN H 2 19 ARG H . . 4.010 4.053 4.008 4.107 0.097 9 0 "[ . 1 ]" 1
653 2 17 GLN HA 2 20 GLU H . . 3.390 3.204 3.003 3.403 0.013 11 0 "[ . 1 ]" 1
654 2 17 GLN HA 2 20 GLU HB2 . . 3.080 2.821 2.579 3.099 0.019 14 0 "[ . 1 ]" 1
655 2 17 GLN HA 2 20 GLU QB . . 2.860 2.399 2.218 2.656 . 0 0 "[ . 1 ]" 1
656 2 17 GLN HA 2 20 GLU HB3 . . 3.080 2.616 2.320 3.013 . 0 0 "[ . 1 ]" 1
657 2 18 TYR H 2 18 TYR HB2 . . 3.480 2.148 2.088 2.230 . 0 0 "[ . 1 ]" 1
658 2 18 TYR H 2 18 TYR QB . . 3.310 2.126 2.066 2.206 . 0 0 "[ . 1 ]" 1
659 2 18 TYR H 2 18 TYR HB3 . . 3.480 3.409 3.299 3.482 0.002 12 0 "[ . 1 ]" 1
660 2 18 TYR H 2 19 ARG H . . 3.210 2.525 2.343 2.661 . 0 0 "[ . 1 ]" 1
661 2 18 TYR H 2 20 GLU H . . 4.230 4.011 3.751 4.246 0.016 3 0 "[ . 1 ]" 1
662 2 18 TYR H 2 34 LEU QD . . 6.920 4.077 3.875 4.231 . 0 0 "[ . 1 ]" 1
663 2 18 TYR HA 2 19 ARG H . . 3.610 3.514 3.453 3.575 . 0 0 "[ . 1 ]" 1
664 2 18 TYR HA 2 21 ALA H . . 3.270 3.294 3.181 3.346 0.076 11 0 "[ . 1 ]" 1
665 2 18 TYR HA 2 21 ALA MB . . 4.200 2.884 2.417 3.255 . 0 0 "[ . 1 ]" 1
666 2 18 TYR QB 2 34 LEU QD . . 7.550 1.917 1.783 2.043 . 0 0 "[ . 1 ]" 1
667 2 18 TYR HB2 2 19 ARG H . . 3.700 3.028 2.832 3.194 . 0 0 "[ . 1 ]" 1
668 2 18 TYR HB3 2 19 ARG H . . 3.700 3.471 3.127 3.651 . 0 0 "[ . 1 ]" 1
669 2 18 TYR QD 2 19 ARG H . . 7.640 4.762 4.642 4.895 . 0 0 "[ . 1 ]" 1
670 2 18 TYR QD 2 21 ALA MB . . 7.330 4.267 3.830 5.073 . 0 0 "[ . 1 ]" 1
671 2 18 TYR QD 2 30 LEU QB . . 8.520 3.803 3.005 4.667 . 0 0 "[ . 1 ]" 1
672 2 18 TYR QD 2 33 ILE MG . . 8.670 4.154 3.730 4.790 . 0 0 "[ . 1 ]" 1
673 2 18 TYR QD 2 34 LEU QD . . 8.590 3.153 2.463 3.505 . 0 0 "[ . 1 ]" 1
674 2 18 TYR QD 2 37 GLU HG3 . . 5.390 4.803 4.149 5.224 . 0 0 "[ . 1 ]" 1
675 2 18 TYR QE 2 21 ALA MB . . 8.660 5.528 5.162 6.095 . 0 0 "[ . 1 ]" 1
676 2 18 TYR QE 2 30 LEU QD . . 8.520 2.886 2.111 4.189 . 0 0 "[ . 1 ]" 1
677 2 18 TYR QE 2 33 ILE MG . . 7.640 2.897 2.597 3.356 . 0 0 "[ . 1 ]" 1
678 2 18 TYR QE 2 37 GLU HG3 . . 4.390 3.577 2.528 4.328 . 0 0 "[ . 1 ]" 1
679 2 19 ARG H 2 19 ARG HG2 . . 4.200 3.819 3.552 4.027 . 0 0 "[ . 1 ]" 1
680 2 19 ARG H 2 19 ARG QG . . 3.600 2.702 2.393 2.995 . 0 0 "[ . 1 ]" 1
681 2 19 ARG H 2 19 ARG HG3 . . 4.200 2.768 2.422 3.102 . 0 0 "[ . 1 ]" 1
682 2 19 ARG H 2 20 GLU H . . 3.080 2.311 2.188 2.475 . 0 0 "[ . 1 ]" 1
683 2 19 ARG H 2 21 ALA H . . 3.700 3.818 3.778 3.849 0.149 13 0 "[ . 1 ]" 1
684 2 19 ARG HA 2 19 ARG HG2 . . 3.080 2.376 2.148 2.558 . 0 0 "[ . 1 ]" 1
685 2 19 ARG HA 2 19 ARG QG . . 2.890 2.280 2.115 2.421 . 0 0 "[ . 1 ]" 1
686 2 19 ARG HA 2 19 ARG HG3 . . 3.080 2.967 2.831 3.171 0.091 3 0 "[ . 1 ]" 1
687 2 19 ARG HA 2 20 GLU H . . 3.420 3.496 3.474 3.511 0.091 2 0 "[ . 1 ]" 1
688 2 19 ARG HA 2 22 LEU H . . 3.390 3.298 3.133 3.419 0.029 14 0 "[ . 1 ]" 1
689 2 19 ARG HA 2 34 LEU QD . . 5.460 2.947 2.137 3.425 . 0 0 "[ . 1 ]" 1
690 2 19 ARG QD 2 34 LEU MD1 . . 7.400 3.826 2.972 4.768 . 0 0 "[ . 1 ]" 1
691 2 19 ARG QD 2 34 LEU QD . . 7.030 3.410 2.777 4.193 . 0 0 "[ . 1 ]" 1
692 2 19 ARG QD 2 34 LEU MD2 . . 7.400 3.848 3.335 4.650 . 0 0 "[ . 1 ]" 1
693 2 19 ARG HE 2 34 LEU QD . . 6.490 3.527 2.615 4.392 . 0 0 "[ . 1 ]" 1
694 2 19 ARG QG 2 20 GLU H . . 4.980 4.119 3.924 4.274 . 0 0 "[ . 1 ]" 1
695 2 20 GLU H 2 20 GLU HB2 . . 3.140 2.333 2.227 2.414 . 0 0 "[ . 1 ]" 1
696 2 20 GLU H 2 20 GLU QB . . 2.940 2.219 2.152 2.273 . 0 0 "[ . 1 ]" 1
697 2 20 GLU H 2 20 GLU HB3 . . 3.140 2.790 2.700 2.905 . 0 0 "[ . 1 ]" 1
698 2 20 GLU H 2 20 GLU HG2 . . 4.850 4.562 4.496 4.606 . 0 0 "[ . 1 ]" 1
699 2 20 GLU H 2 20 GLU QG . . 4.350 3.935 3.832 3.975 . 0 0 "[ . 1 ]" 1
700 2 20 GLU H 2 20 GLU HG3 . . 4.850 4.299 4.153 4.370 . 0 0 "[ . 1 ]" 1
701 2 20 GLU H 2 21 ALA H . . 3.050 2.818 2.709 2.924 . 0 0 "[ . 1 ]" 1
702 2 20 GLU H 2 21 ALA MB . . 5.780 4.553 4.391 4.735 . 0 0 "[ . 1 ]" 1
703 2 20 GLU HA 2 20 GLU HB2 . . 2.990 2.579 2.534 2.661 . 0 0 "[ . 1 ]" 1
704 2 20 GLU HA 2 20 GLU HB3 . . 2.990 3.022 3.011 3.030 0.040 3 0 "[ . 1 ]" 1
705 2 20 GLU HA 2 20 GLU HG2 . . 4.070 2.871 2.583 3.024 . 0 0 "[ . 1 ]" 1
706 2 20 GLU HA 2 20 GLU QG . . 3.880 2.297 2.199 2.370 . 0 0 "[ . 1 ]" 1
707 2 20 GLU HA 2 20 GLU HG3 . . 4.070 2.429 2.265 2.546 . 0 0 "[ . 1 ]" 1
708 2 20 GLU HA 2 21 ALA H . . 3.600 3.613 3.575 3.655 0.055 7 0 "[ . 1 ]" 1
709 2 20 GLU QB 2 21 ALA H . . 4.020 2.596 2.470 2.971 . 0 0 "[ . 1 ]" 1
710 2 20 GLU QG 2 24 TYR QE . . 8.510 4.648 2.321 6.796 . 0 0 "[ . 1 ]" 1
711 2 20 GLU HG2 2 21 ALA H . . 5.500 4.202 3.971 4.538 . 0 0 "[ . 1 ]" 1
712 2 20 GLU HG3 2 21 ALA H . . 5.500 4.992 4.844 5.196 . 0 0 "[ . 1 ]" 1
713 2 21 ALA H 2 21 ALA MB . . 3.640 2.238 2.062 2.374 . 0 0 "[ . 1 ]" 1
714 2 21 ALA HA 2 24 TYR H . . 3.830 3.404 3.052 3.850 0.020 9 0 "[ . 1 ]" 1
715 2 21 ALA HA 2 24 TYR HB2 . . 4.010 2.705 2.190 4.027 0.017 14 0 "[ . 1 ]" 1
716 2 21 ALA HA 2 24 TYR HB3 . . 4.010 3.783 2.926 4.069 0.059 1 0 "[ . 1 ]" 1
717 2 21 ALA HA 2 24 TYR QD . . 7.140 3.845 2.128 5.136 . 0 0 "[ . 1 ]" 1
718 2 21 ALA HA 2 25 VAL H . . 4.110 4.078 3.819 4.194 0.084 13 0 "[ . 1 ]" 1
719 2 22 LEU H 2 23 GLU H . . 3.140 2.807 2.041 3.170 0.030 13 0 "[ . 1 ]" 1
720 2 22 LEU QD 2 31 ALA H . . 3.450 2.241 2.053 2.786 . 0 0 "[ . 1 ]" 1
721 2 23 GLU H 2 23 GLU HA . . 2.870 2.893 2.820 2.935 0.065 4 0 "[ . 1 ]" 1
722 2 23 GLU H 2 23 GLU HB2 . . 3.920 3.051 2.349 3.716 . 0 0 "[ . 1 ]" 1
723 2 23 GLU H 2 23 GLU QB . . 3.280 2.615 2.320 2.925 . 0 0 "[ . 1 ]" 1
724 2 23 GLU H 2 23 GLU HB3 . . 3.920 3.277 2.666 3.669 . 0 0 "[ . 1 ]" 1
725 2 23 GLU H 2 23 GLU HG2 . . 3.830 2.461 1.938 3.607 . 0 0 "[ . 1 ]" 1
726 2 23 GLU H 2 23 GLU QG . . 3.330 2.211 1.891 2.599 . 0 0 "[ . 1 ]" 1
727 2 23 GLU H 2 23 GLU HG3 . . 3.830 2.960 2.452 3.714 . 0 0 "[ . 1 ]" 1
728 2 23 GLU H 2 25 VAL H . . 3.790 3.880 3.854 3.931 0.141 14 0 "[ . 1 ]" 1
729 2 23 GLU HA 2 23 GLU HG2 . . 4.110 3.193 2.373 3.729 . 0 0 "[ . 1 ]" 1
730 2 23 GLU HA 2 23 GLU QG . . 3.550 2.960 2.311 3.345 . 0 0 "[ . 1 ]" 1
731 2 23 GLU HA 2 23 GLU HG3 . . 4.110 3.642 3.184 3.841 . 0 0 "[ . 1 ]" 1
732 2 23 GLU HA 2 24 TYR H . . 3.640 3.525 3.492 3.562 . 0 0 "[ . 1 ]" 1
733 2 24 TYR H 2 24 TYR HB2 . . 3.390 2.147 2.058 2.337 . 0 0 "[ . 1 ]" 1
734 2 24 TYR H 2 24 TYR HB3 . . 3.390 3.288 2.690 3.462 0.072 4 0 "[ . 1 ]" 1
735 2 24 TYR H 2 25 VAL H . . 2.960 2.531 2.221 2.685 . 0 0 "[ . 1 ]" 1
736 2 24 TYR H 2 25 VAL QG . . 7.620 3.931 3.635 4.278 . 0 0 "[ . 1 ]" 1
737 2 24 TYR QB 2 25 VAL H . . 3.580 2.826 2.644 3.288 . 0 0 "[ . 1 ]" 1
738 2 24 TYR HB2 2 25 VAL H . . 3.830 3.163 2.733 3.845 0.015 3 0 "[ . 1 ]" 1
739 2 24 TYR HB3 2 25 VAL H . . 3.830 3.320 2.817 3.771 . 0 0 "[ . 1 ]" 1
740 2 24 TYR QD 2 25 VAL H . . 7.640 4.605 4.109 4.914 . 0 0 "[ . 1 ]" 1
741 2 25 VAL H 2 25 VAL HB . . 3.300 2.497 2.277 3.063 . 0 0 "[ . 1 ]" 1
742 2 25 VAL H 2 26 LYS H . . 2.870 2.415 2.216 2.909 0.039 9 0 "[ . 1 ]" 1
743 2 25 VAL HA 2 26 LYS H . . 3.680 3.518 3.421 3.557 . 0 0 "[ . 1 ]" 1
744 2 25 VAL HB 2 26 LYS H . . 3.380 3.030 2.508 3.509 0.129 9 0 "[ . 1 ]" 1
745 2 25 VAL MG1 2 27 LEU QD . . 5.980 2.684 2.070 3.628 . 0 0 "[ . 1 ]" 1
746 2 26 LYS H 2 26 LYS QD . . 5.480 4.464 3.398 4.951 . 0 0 "[ . 1 ]" 1
747 2 26 LYS H 2 26 LYS HG2 . . 4.230 3.218 2.446 4.279 0.049 4 0 "[ . 1 ]" 1
748 2 26 LYS H 2 26 LYS QG . . 3.920 2.786 2.407 3.465 . 0 0 "[ . 1 ]" 1
749 2 26 LYS H 2 26 LYS HG3 . . 4.230 3.417 2.475 4.134 . 0 0 "[ . 1 ]" 1
750 2 26 LYS H 2 27 LEU H . . 3.550 2.899 1.963 3.187 . 0 0 "[ . 1 ]" 1
751 2 26 LYS HA 2 26 LYS HG2 . . 4.140 2.570 2.219 3.663 . 0 0 "[ . 1 ]" 1
752 2 26 LYS HA 2 26 LYS QG . . 3.900 2.441 2.103 3.376 . 0 0 "[ . 1 ]" 1
753 2 26 LYS HA 2 26 LYS HG3 . . 4.140 3.281 2.402 3.955 . 0 0 "[ . 1 ]" 1
754 2 26 LYS HA 2 27 LEU H . . 3.020 2.627 2.386 3.033 0.013 1 0 "[ . 1 ]" 1
755 2 26 LYS QB 2 27 LEU H . . 5.110 3.976 3.834 4.175 . 0 0 "[ . 1 ]" 1
756 2 27 LEU QD 2 29 VAL H . . 4.600 2.558 1.958 3.428 . 0 0 "[ . 1 ]" 1
757 2 27 LEU QD 2 30 LEU H . . 5.920 3.065 2.395 3.812 . 0 0 "[ . 1 ]" 1
758 2 28 PRO HA 2 31 ALA H . . 3.730 3.381 3.090 3.721 . 0 0 "[ . 1 ]" 1
759 2 28 PRO HA 2 31 ALA MB . . 4.480 3.122 2.394 3.592 . 0 0 "[ . 1 ]" 1
760 2 28 PRO QG 2 29 VAL H . . 5.260 2.424 2.261 2.669 . 0 0 "[ . 1 ]" 1
761 2 29 VAL H 2 29 VAL HB . . 2.650 2.539 2.338 2.679 0.029 4 0 "[ . 1 ]" 1
762 2 29 VAL H 2 29 VAL MG1 . . 4.670 3.786 3.760 3.820 . 0 0 "[ . 1 ]" 1
763 2 29 VAL H 2 29 VAL MG2 . . 4.670 2.149 1.947 2.449 . 0 0 "[ . 1 ]" 1
764 2 29 VAL H 2 30 LEU H . . 3.330 2.915 2.714 3.059 . 0 0 "[ . 1 ]" 1
765 2 29 VAL HA 2 29 VAL HB . . 2.900 2.989 2.974 2.996 0.096 12 0 "[ . 1 ]" 1
766 2 29 VAL HA 2 30 LEU H . . 3.610 3.595 3.553 3.651 0.041 1 0 "[ . 1 ]" 1
767 2 29 VAL HA 2 32 LYS H . . 3.360 3.209 3.037 3.426 0.066 13 0 "[ . 1 ]" 1
768 2 29 VAL HA 2 32 LYS QB . . 4.110 2.467 2.248 2.774 . 0 0 "[ . 1 ]" 1
769 2 29 VAL HB 2 30 LEU H . . 3.390 2.968 2.749 3.311 . 0 0 "[ . 1 ]" 1
770 2 29 VAL QG 2 30 LEU H . . 5.260 3.413 3.245 3.657 . 0 0 "[ . 1 ]" 1
771 2 29 VAL MG1 2 30 LEU H . . 5.910 3.659 3.374 3.994 . 0 0 "[ . 1 ]" 1
772 2 29 VAL MG2 2 30 LEU H . . 5.910 4.123 3.915 4.317 . 0 0 "[ . 1 ]" 1
773 2 30 LEU H 2 30 LEU HB2 . . 3.300 2.122 2.002 2.378 . 0 0 "[ . 1 ]" 1
774 2 30 LEU H 2 30 LEU QB . . 3.100 2.098 1.982 2.339 . 0 0 "[ . 1 ]" 1
775 2 30 LEU H 2 30 LEU HB3 . . 3.300 3.316 3.093 3.456 0.156 12 0 "[ . 1 ]" 1
776 2 30 LEU H 2 30 LEU HG . . 3.790 3.433 2.233 3.886 0.096 4 0 "[ . 1 ]" 1
777 2 30 LEU H 2 31 ALA H . . 3.080 2.693 2.550 2.987 . 0 0 "[ . 1 ]" 1
778 2 30 LEU H 2 32 LYS H . . 3.790 3.842 3.793 3.916 0.126 9 0 "[ . 1 ]" 1
779 2 30 LEU HA 2 30 LEU HG . . 3.730 2.471 2.102 3.379 . 0 0 "[ . 1 ]" 1
780 2 30 LEU HA 2 33 ILE HB . . 3.420 2.648 2.306 2.981 . 0 0 "[ . 1 ]" 1
781 2 30 LEU HA 2 34 LEU H . . 3.860 3.878 3.820 3.965 0.105 2 0 "[ . 1 ]" 1
782 2 30 LEU QB 2 31 ALA H . . 4.760 2.547 2.129 2.848 . 0 0 "[ . 1 ]" 1
783 2 30 LEU QD 2 31 ALA H . . 7.510 3.962 3.621 4.244 . 0 0 "[ . 1 ]" 1
784 2 31 ALA H 2 32 LYS H . . 3.050 2.673 2.285 3.091 0.041 6 0 "[ . 1 ]" 1
785 2 31 ALA HA 2 34 LEU H . . 3.360 3.441 3.387 3.563 0.203 13 0 "[ . 1 ]" 1
786 2 31 ALA HA 2 34 LEU QB . . 3.770 3.350 3.210 3.521 . 0 0 "[ . 1 ]" 1
787 2 31 ALA HA 2 34 LEU MD1 . . 4.110 3.525 3.298 3.619 . 0 0 "[ . 1 ]" 1
788 2 31 ALA HA 2 34 LEU QD . . 3.620 2.184 1.987 2.758 . 0 0 "[ . 1 ]" 1
789 2 31 ALA HA 2 34 LEU MD2 . . 4.110 2.212 2.004 2.860 . 0 0 "[ . 1 ]" 1
790 2 31 ALA MB 2 32 LYS H . . 4.170 2.738 2.507 2.920 . 0 0 "[ . 1 ]" 1
791 2 32 LYS H 2 33 ILE H . . 3.170 2.520 2.449 2.661 . 0 0 "[ . 1 ]" 1
792 2 32 LYS H 2 34 LEU H . . 4.040 4.036 3.873 4.098 0.058 8 0 "[ . 1 ]" 1
793 2 32 LYS HA 2 32 LYS QD . . 4.920 3.746 2.191 4.030 . 0 0 "[ . 1 ]" 1
794 2 32 LYS HA 2 33 ILE H . . 3.450 3.511 3.480 3.544 0.094 9 0 "[ . 1 ]" 1
795 2 32 LYS HA 2 35 GLU HB2 . . 3.050 2.986 2.798 3.077 0.027 12 0 "[ . 1 ]" 1
796 2 32 LYS HA 2 35 GLU QB . . 2.760 2.618 2.551 2.711 . 0 0 "[ . 1 ]" 1
797 2 32 LYS HA 2 35 GLU HB3 . . 3.050 2.908 2.787 3.056 0.006 7 0 "[ . 1 ]" 1
798 2 32 LYS QB 2 33 ILE HA . . 5.320 4.088 3.952 4.349 . 0 0 "[ . 1 ]" 1
799 2 33 ILE H 2 33 ILE HB . . 3.170 2.333 2.205 2.530 . 0 0 "[ . 1 ]" 1
800 2 33 ILE H 2 33 ILE MD . . 5.380 3.571 3.437 3.857 . 0 0 "[ . 1 ]" 1
801 2 33 ILE H 2 33 ILE QG . . 5.110 2.575 2.067 2.901 . 0 0 "[ . 1 ]" 1
802 2 33 ILE H 2 34 LEU H . . 2.770 2.450 2.269 2.726 . 0 0 "[ . 1 ]" 1
803 2 33 ILE H 2 34 LEU QD . . 6.050 4.687 4.590 4.842 . 0 0 "[ . 1 ]" 1
804 2 33 ILE HA 2 36 ASP QB . . 4.450 2.900 2.628 3.152 . 0 0 "[ . 1 ]" 1
805 2 33 ILE HB 2 34 LEU H . . 3.360 2.563 2.366 2.881 . 0 0 "[ . 1 ]" 1
806 2 33 ILE MG 2 34 LEU H . . 5.690 3.125 2.853 3.469 . 0 0 "[ . 1 ]" 1
807 2 33 ILE MG 2 37 GLU HG2 . . 4.860 3.038 2.369 3.795 . 0 0 "[ . 1 ]" 1
808 2 34 LEU H 2 34 LEU MD1 . . 5.130 3.878 3.670 4.021 . 0 0 "[ . 1 ]" 1
809 2 34 LEU H 2 34 LEU QD . . 4.810 3.272 3.196 3.333 . 0 0 "[ . 1 ]" 1
810 2 34 LEU H 2 34 LEU MD2 . . 5.130 3.538 3.398 3.803 . 0 0 "[ . 1 ]" 1
811 2 34 LEU H 2 34 LEU HG . . 3.210 2.708 2.564 2.866 . 0 0 "[ . 1 ]" 1
812 2 34 LEU H 2 35 GLU H . . 3.360 2.722 2.565 2.864 . 0 0 "[ . 1 ]" 1
813 2 34 LEU HA 2 34 LEU MD1 . . 4.640 3.380 3.276 3.466 . 0 0 "[ . 1 ]" 1
814 2 34 LEU HA 2 34 LEU QD . . 4.140 3.220 3.144 3.294 . 0 0 "[ . 1 ]" 1
815 2 34 LEU HA 2 34 LEU HG . . 3.860 3.775 3.628 3.939 0.079 13 0 "[ . 1 ]" 1
816 2 34 LEU HA 2 37 GLU H . . 3.700 3.399 2.975 3.761 0.061 13 0 "[ . 1 ]" 1
817 2 34 LEU HA 2 37 GLU QB . . 3.720 2.600 2.376 2.939 . 0 0 "[ . 1 ]" 1
818 2 34 LEU HA 2 37 GLU HG3 . . 3.560 2.769 2.176 3.383 . 0 0 "[ . 1 ]" 1
819 2 34 LEU QD 2 35 GLU H . . 5.540 2.634 2.421 2.811 . 0 0 "[ . 1 ]" 1
820 2 34 LEU QD 2 35 GLU QG . . 7.140 3.716 3.423 3.999 . 0 0 "[ . 1 ]" 1
821 2 34 LEU MD1 2 35 GLU H . . 5.970 2.666 2.432 2.854 . 0 0 "[ . 1 ]" 1
822 2 34 LEU MD2 2 35 GLU H . . 5.970 4.152 3.997 4.434 . 0 0 "[ . 1 ]" 1
823 2 35 GLU H 2 35 GLU HB2 . . 3.170 2.289 2.216 2.327 . 0 0 "[ . 1 ]" 1
824 2 35 GLU H 2 35 GLU HB3 . . 3.170 2.713 2.625 2.805 . 0 0 "[ . 1 ]" 1
825 2 35 GLU H 2 35 GLU HG2 . . 4.760 4.440 4.257 4.577 . 0 0 "[ . 1 ]" 1
826 2 35 GLU H 2 35 GLU QG . . 4.310 3.918 3.887 3.932 . 0 0 "[ . 1 ]" 1
827 2 35 GLU H 2 35 GLU HG3 . . 4.760 4.377 4.241 4.545 . 0 0 "[ . 1 ]" 1
828 2 35 GLU H 2 36 ASP H . . 3.140 2.747 2.636 2.862 . 0 0 "[ . 1 ]" 1
829 2 35 GLU HA 2 35 GLU HB2 . . 3.020 2.587 2.550 2.631 . 0 0 "[ . 1 ]" 1
830 2 35 GLU HA 2 35 GLU QB . . 2.700 2.455 2.426 2.488 . 0 0 "[ . 1 ]" 1
831 2 35 GLU HA 2 35 GLU HB3 . . 3.020 3.054 3.032 3.078 0.058 1 0 "[ . 1 ]" 1
832 2 35 GLU HA 2 35 GLU HG2 . . 3.830 2.714 2.366 3.051 . 0 0 "[ . 1 ]" 1
833 2 35 GLU HA 2 35 GLU QG . . 3.450 2.349 2.240 2.406 . 0 0 "[ . 1 ]" 1
834 2 35 GLU HA 2 35 GLU HG3 . . 3.830 2.917 2.305 3.678 . 0 0 "[ . 1 ]" 1
835 2 35 GLU HA 2 36 ASP H . . 3.610 3.550 3.513 3.577 . 0 0 "[ . 1 ]" 1
836 2 35 GLU HA 2 38 GLU H . . 3.390 3.362 3.248 3.492 0.102 14 0 "[ . 1 ]" 1
837 2 35 GLU HA 2 38 GLU HB2 . . 2.960 2.537 2.331 3.032 0.072 11 0 "[ . 1 ]" 1
838 2 35 GLU HA 2 38 GLU QB . . 2.670 2.397 2.222 2.524 . 0 0 "[ . 1 ]" 1
839 2 35 GLU HA 2 38 GLU HB3 . . 3.360 3.120 2.285 3.360 0.000 13 0 "[ . 1 ]" 1
840 2 35 GLU HB2 2 36 ASP H . . 3.480 3.546 3.533 3.567 0.087 9 0 "[ . 1 ]" 1
841 2 35 GLU HB3 2 36 ASP H . . 3.480 2.316 2.224 2.410 . 0 0 "[ . 1 ]" 1
842 2 36 ASP H 2 36 ASP HB2 . . 3.360 2.368 2.160 2.612 . 0 0 "[ . 1 ]" 1
843 2 36 ASP H 2 36 ASP QB . . 3.180 2.226 2.118 2.314 . 0 0 "[ . 1 ]" 1
844 2 36 ASP H 2 36 ASP HB3 . . 3.360 2.783 2.519 3.069 . 0 0 "[ . 1 ]" 1
845 2 36 ASP H 2 37 GLU H . . 3.330 2.851 2.743 3.015 . 0 0 "[ . 1 ]" 1
846 2 36 ASP HA 2 39 LYS H . . 3.790 3.525 3.279 3.737 . 0 0 "[ . 1 ]" 1
847 2 36 ASP HA 2 39 LYS QB . . 4.580 3.171 2.854 3.495 . 0 0 "[ . 1 ]" 1
848 2 37 GLU H 2 37 GLU QB . . 3.520 2.547 2.410 2.681 . 0 0 "[ . 1 ]" 1
849 2 37 GLU H 2 37 GLU HG2 . . 4.570 2.385 2.059 2.783 . 0 0 "[ . 1 ]" 1
850 2 37 GLU H 2 37 GLU HG3 . . 3.520 2.957 2.506 3.541 0.021 11 0 "[ . 1 ]" 1
851 2 37 GLU H 2 38 GLU H . . 3.110 2.906 2.794 3.080 . 0 0 "[ . 1 ]" 1
852 2 37 GLU HA 2 40 HIS H . . 3.520 3.239 3.128 3.418 . 0 0 "[ . 1 ]" 1
853 2 37 GLU HA 2 40 HIS QB . . 4.760 2.526 2.270 3.001 . 0 0 "[ . 1 ]" 1
854 2 38 GLU H 2 38 GLU HB2 . . 3.110 2.014 1.944 2.398 . 0 0 "[ . 1 ]" 1
855 2 38 GLU H 2 38 GLU HB3 . . 3.110 2.922 2.137 3.105 . 0 0 "[ . 1 ]" 1
856 2 38 GLU H 2 38 GLU HG2 . . 3.760 3.802 3.764 3.959 0.199 11 0 "[ . 1 ]" 1
857 2 38 GLU H 2 38 GLU HG3 . . 3.960 4.080 4.039 4.139 0.179 11 0 "[ . 1 ]" 1
858 2 38 GLU H 2 39 LYS H . . 3.170 2.915 2.720 3.028 . 0 0 "[ . 1 ]" 1
859 2 38 GLU H 2 39 LYS QB . . 5.070 4.648 4.538 4.740 . 0 0 "[ . 1 ]" 1
860 2 38 GLU HA 2 38 GLU HG2 . . 4.040 2.301 2.195 3.284 . 0 0 "[ . 1 ]" 1
861 2 38 GLU HA 2 38 GLU QG . . 3.730 2.217 2.172 2.415 . 0 0 "[ . 1 ]" 1
862 2 38 GLU HA 2 38 GLU HG3 . . 4.040 3.434 2.485 3.538 . 0 0 "[ . 1 ]" 1
863 2 38 GLU HA 2 41 ILE H . . 3.640 3.497 3.213 3.656 0.016 13 0 "[ . 1 ]" 1
864 2 38 GLU HA 2 41 ILE HB . . 2.770 2.732 2.484 2.904 0.134 14 0 "[ . 1 ]" 1
865 2 38 GLU HA 2 41 ILE QG . . 5.940 3.686 2.616 4.342 . 0 0 "[ . 1 ]" 1
866 2 38 GLU QB 2 39 LYS H . . 4.490 2.679 2.531 2.895 . 0 0 "[ . 1 ]" 1
867 2 39 LYS H 2 39 LYS QD . . 5.480 4.357 3.715 4.720 . 0 0 "[ . 1 ]" 1
868 2 39 LYS H 2 40 HIS H . . 3.110 2.703 2.600 2.780 . 0 0 "[ . 1 ]" 1
869 2 39 LYS HA 2 42 GLU H . . 3.390 3.205 2.924 3.310 . 0 0 "[ . 1 ]" 1
870 2 39 LYS HA 2 42 GLU HB2 . . 2.800 2.684 2.412 2.838 0.038 8 0 "[ . 1 ]" 1
871 2 39 LYS HA 2 42 GLU HB3 . . 2.800 2.461 2.300 2.658 . 0 0 "[ . 1 ]" 1
872 2 39 LYS HA 2 43 TRP H . . 4.200 4.237 4.091 4.311 0.111 12 0 "[ . 1 ]" 1
873 2 39 LYS QB 2 40 HIS H . . 4.520 2.553 2.431 2.690 . 0 0 "[ . 1 ]" 1
874 2 39 LYS QG 2 40 HIS H . . 6.220 3.858 3.618 4.151 . 0 0 "[ . 1 ]" 1
875 2 40 HIS H 2 40 HIS HB2 . . 3.700 2.348 2.189 2.441 . 0 0 "[ . 1 ]" 1
876 2 40 HIS H 2 40 HIS HB3 . . 3.700 3.576 3.507 3.618 . 0 0 "[ . 1 ]" 1
877 2 40 HIS H 2 41 ILE H . . 3.360 2.686 2.547 2.781 . 0 0 "[ . 1 ]" 1
878 2 41 ILE H 2 41 ILE HB . . 3.050 2.481 2.387 2.742 . 0 0 "[ . 1 ]" 1
879 2 41 ILE H 2 41 ILE MD . . 4.920 3.163 2.341 3.573 . 0 0 "[ . 1 ]" 1
880 2 41 ILE H 2 41 ILE MG . . 4.570 3.783 3.733 3.836 . 0 0 "[ . 1 ]" 1
881 2 41 ILE H 2 42 GLU H . . 3.360 2.519 2.339 2.638 . 0 0 "[ . 1 ]" 1
882 2 41 ILE H 2 43 TRP H . . 4.010 4.039 3.814 4.135 0.125 12 0 "[ . 1 ]" 1
883 2 41 ILE HA 2 41 ILE MD . . 4.700 3.805 2.735 3.935 . 0 0 "[ . 1 ]" 1
884 2 41 ILE HA 2 44 LEU QB . . 4.210 3.346 3.193 3.451 . 0 0 "[ . 1 ]" 1
885 2 41 ILE MG 2 42 GLU H . . 4.790 3.558 3.399 3.708 . 0 0 "[ . 1 ]" 1
886 2 42 GLU H 2 42 GLU HB2 . . 2.900 2.342 2.286 2.402 . 0 0 "[ . 1 ]" 1
887 2 42 GLU H 2 42 GLU HB3 . . 2.900 2.698 2.596 2.832 . 0 0 "[ . 1 ]" 1
888 2 42 GLU H 2 42 GLU HG2 . . 4.630 4.409 4.321 4.498 . 0 0 "[ . 1 ]" 1
889 2 42 GLU H 2 42 GLU QG . . 4.260 3.921 3.892 3.949 . 0 0 "[ . 1 ]" 1
890 2 42 GLU H 2 42 GLU HG3 . . 4.630 4.401 4.262 4.507 . 0 0 "[ . 1 ]" 1
891 2 42 GLU H 2 43 TRP H . . 3.240 2.889 2.790 3.142 . 0 0 "[ . 1 ]" 1
892 2 42 GLU HA 2 42 GLU QB . . 2.730 2.417 2.364 2.452 . 0 0 "[ . 1 ]" 1
893 2 42 GLU HA 2 42 GLU HG2 . . 4.170 2.476 2.319 2.798 . 0 0 "[ . 1 ]" 1
894 2 42 GLU HA 2 42 GLU QG . . 3.870 2.343 2.279 2.442 . 0 0 "[ . 1 ]" 1
895 2 42 GLU HA 2 42 GLU HG3 . . 4.170 3.120 2.632 3.533 . 0 0 "[ . 1 ]" 1
896 2 42 GLU HA 2 44 LEU H . . 4.110 4.047 3.906 4.152 0.042 1 0 "[ . 1 ]" 1
897 2 42 GLU HA 2 45 GLU H . . 3.670 3.085 2.804 3.368 . 0 0 "[ . 1 ]" 1
898 2 42 GLU HA 2 45 GLU QB . . 3.960 2.635 2.119 3.366 . 0 0 "[ . 1 ]" 1
899 2 42 GLU QB 2 43 TRP H . . 4.050 2.699 2.424 2.837 . 0 0 "[ . 1 ]" 1
900 2 43 TRP H 2 43 TRP HB2 . . 3.420 2.140 1.993 2.345 . 0 0 "[ . 1 ]" 1
901 2 43 TRP H 2 43 TRP HB3 . . 3.420 2.798 2.690 2.873 . 0 0 "[ . 1 ]" 1
902 2 43 TRP H 2 43 TRP HD1 . . 4.230 4.303 4.125 4.450 0.220 12 0 "[ . 1 ]" 1
903 2 43 TRP H 2 43 TRP HE3 . . 4.970 5.077 5.051 5.111 0.141 10 0 "[ . 1 ]" 1
904 2 43 TRP H 2 44 LEU H . . 3.330 2.829 2.767 2.879 . 0 0 "[ . 1 ]" 1
905 2 43 TRP HA 2 43 TRP HD1 . . 3.550 2.994 2.227 3.604 0.054 10 0 "[ . 1 ]" 1
906 2 43 TRP HA 2 44 LEU H . . 3.580 3.536 3.490 3.581 0.001 10 0 "[ . 1 ]" 1
907 2 43 TRP HB2 2 44 LEU H . . 3.640 3.708 3.628 3.801 0.161 12 0 "[ . 1 ]" 1
908 2 43 TRP HB3 2 44 LEU H . . 3.640 2.713 2.559 2.813 . 0 0 "[ . 1 ]" 1
909 2 43 TRP HD1 2 46 THR MG . . 5.880 3.884 2.313 4.937 . 0 0 "[ . 1 ]" 1
910 2 43 TRP HE3 2 44 LEU H . . 4.290 3.764 3.489 3.986 . 0 0 "[ . 1 ]" 1
911 2 43 TRP HE3 2 44 LEU HA . . 4.720 3.202 2.902 3.801 . 0 0 "[ . 1 ]" 1
912 2 43 TRP HE3 2 44 LEU QD . . 6.760 3.401 2.257 3.816 . 0 0 "[ . 1 ]" 1
913 2 43 TRP HE3 2 44 LEU HG . . 3.060 2.842 2.370 3.163 0.103 10 0 "[ . 1 ]" 1
914 2 44 LEU H 2 44 LEU HG . . 3.140 3.040 2.214 3.163 0.023 6 0 "[ . 1 ]" 1
915 2 44 LEU H 2 45 GLU H . . 3.300 2.540 2.348 2.812 . 0 0 "[ . 1 ]" 1
916 2 44 LEU H 2 46 THR H . . 4.110 4.167 4.053 4.223 0.113 12 0 "[ . 1 ]" 1
917 2 44 LEU HA 2 44 LEU HG . . 3.240 2.407 2.264 3.108 . 0 0 "[ . 1 ]" 1
918 2 44 LEU HA 2 45 GLU H . . 3.580 3.539 3.396 3.631 0.051 9 0 "[ . 1 ]" 1
919 2 44 LEU HA 2 47 ILE H . . 4.010 3.693 3.549 4.063 0.053 3 0 "[ . 1 ]" 1
920 2 44 LEU HA 2 47 ILE HB . . 3.240 3.122 2.762 3.294 0.054 3 0 "[ . 1 ]" 1
921 2 44 LEU QB 2 45 GLU H . . 4.640 2.910 2.377 3.498 . 0 0 "[ . 1 ]" 1
922 2 45 GLU H 2 45 GLU HG2 . . 3.860 3.261 2.604 3.869 0.009 5 0 "[ . 1 ]" 1
923 2 45 GLU H 2 45 GLU QG . . 3.660 2.765 2.149 3.406 . 0 0 "[ . 1 ]" 1
924 2 45 GLU H 2 45 GLU HG3 . . 3.860 3.287 2.247 3.930 0.070 6 0 "[ . 1 ]" 1
925 2 45 GLU H 2 46 THR H . . 3.140 2.749 2.005 3.155 0.015 7 0 "[ . 1 ]" 1
926 2 45 GLU H 2 46 THR MG . . 5.350 4.285 4.041 4.393 . 0 0 "[ . 1 ]" 1
927 2 45 GLU HA 2 45 GLU HG2 . . 3.920 2.674 2.178 3.794 . 0 0 "[ . 1 ]" 1
928 2 45 GLU HA 2 45 GLU QG . . 3.470 2.531 2.157 3.268 . 0 0 "[ . 1 ]" 1
929 2 45 GLU HA 2 45 GLU HG3 . . 3.920 3.437 3.140 3.777 . 0 0 "[ . 1 ]" 1
930 2 45 GLU HA 2 46 THR H . . 3.210 3.118 2.852 3.429 0.219 6 0 "[ . 1 ]" 1
931 2 46 THR H 2 46 THR HB . . 3.110 2.893 2.228 3.304 0.194 6 0 "[ . 1 ]" 1
932 2 46 THR H 2 46 THR MG . . 4.510 2.812 2.530 2.980 . 0 0 "[ . 1 ]" 1
933 2 46 THR H 2 47 ILE H . . 2.800 2.064 1.854 2.651 . 0 0 "[ . 1 ]" 1
934 2 46 THR H 2 47 ILE MG . . 4.200 3.182 2.899 3.314 . 0 0 "[ . 1 ]" 1
935 2 46 THR HA 2 47 ILE H . . 3.610 3.501 3.433 3.547 . 0 0 "[ . 1 ]" 1
936 2 46 THR HB 2 47 ILE H . . 3.390 3.453 2.868 3.563 0.173 2 0 "[ . 1 ]" 1
937 2 46 THR MG 2 47 ILE H . . 5.230 2.190 1.924 3.997 . 0 0 "[ . 1 ]" 1
938 2 47 ILE H 2 47 ILE HB . . 2.960 2.642 2.245 2.877 . 0 0 "[ . 1 ]" 1
939 2 47 ILE H 2 47 ILE MD . . 4.700 3.839 3.725 3.899 . 0 0 "[ . 1 ]" 1
940 2 47 ILE H 2 47 ILE QG . . 4.860 4.300 3.972 4.450 . 0 0 "[ . 1 ]" 1
941 2 47 ILE H 2 47 ILE MG . . 4.640 2.852 2.066 3.273 . 0 0 "[ . 1 ]" 1
942 2 47 ILE HA 2 47 ILE MD . . 4.020 2.193 2.099 2.844 . 0 0 "[ . 1 ]" 1
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