NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451895 |
2rpq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rpq
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 967
_Distance_constraint_stats_list.Viol_count 982
_Distance_constraint_stats_list.Viol_total 264.911
_Distance_constraint_stats_list.Viol_max 0.221
_Distance_constraint_stats_list.Viol_rms 0.0070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0135
_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 4 GLU 0.047 0.019 6 0 "[ . 1 . 2]"
1 5 LYS 0.047 0.019 6 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.015 0.007 19 0 "[ . 1 . 2]"
1 11 LYS 0.087 0.029 5 0 "[ . 1 . 2]"
1 12 THR 0.125 0.029 5 0 "[ . 1 . 2]"
1 13 GLU 0.053 0.013 17 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.328 0.066 7 0 "[ . 1 . 2]"
1 17 HIS 0.471 0.066 7 0 "[ . 1 . 2]"
1 18 ILE 0.191 0.014 6 0 "[ . 1 . 2]"
1 19 ASN 0.147 0.015 2 0 "[ . 1 . 2]"
1 20 LEU 3.156 0.221 15 0 "[ . 1 . 2]"
1 21 LYS 0.454 0.023 3 0 "[ . 1 . 2]"
1 22 VAL 0.078 0.043 13 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.132 0.012 1 0 "[ . 1 . 2]"
1 25 GLN 0.122 0.012 1 0 "[ . 1 . 2]"
1 26 ASP 0.072 0.013 14 0 "[ . 1 . 2]"
1 27 GLY 0.009 0.005 4 0 "[ . 1 . 2]"
1 28 SER 0.093 0.012 14 0 "[ . 1 . 2]"
1 29 VAL 0.079 0.011 17 0 "[ . 1 . 2]"
1 30 VAL 2.331 0.181 4 0 "[ . 1 . 2]"
1 31 GLN 0.628 0.023 3 0 "[ . 1 . 2]"
1 32 PHE 0.004 0.004 12 0 "[ . 1 . 2]"
1 33 LYS 0.193 0.020 1 0 "[ . 1 . 2]"
1 34 ILE 0.805 0.060 6 0 "[ . 1 . 2]"
1 35 LYS 0.803 0.060 6 0 "[ . 1 . 2]"
1 36 ARG 0.031 0.006 16 0 "[ . 1 . 2]"
1 37 HIS 0.068 0.015 6 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 0.024 0.006 11 0 "[ . 1 . 2]"
1 40 LEU 0.230 0.017 18 0 "[ . 1 . 2]"
1 41 SER 0.021 0.006 11 0 "[ . 1 . 2]"
1 42 LYS 0.039 0.006 17 0 "[ . 1 . 2]"
1 43 LEU 2.618 0.221 15 0 "[ . 1 . 2]"
1 44 MET 0.146 0.012 19 0 "[ . 1 . 2]"
1 45 LYS 0.053 0.008 19 0 "[ . 1 . 2]"
1 46 ALA 0.140 0.012 19 0 "[ . 1 . 2]"
1 47 TYR 0.001 0.001 17 0 "[ . 1 . 2]"
1 48 CYS 0.071 0.009 12 0 "[ . 1 . 2]"
1 49 GLU 0.013 0.004 12 0 "[ . 1 . 2]"
1 50 ARG 0.011 0.004 17 0 "[ . 1 . 2]"
1 51 GLN 0.041 0.006 13 0 "[ . 1 . 2]"
1 52 GLY 0.041 0.006 13 0 "[ . 1 . 2]"
1 53 LEU 0.128 0.043 12 0 "[ . 1 . 2]"
1 54 SER 0.337 0.043 12 0 "[ . 1 . 2]"
1 55 MET 0.031 0.010 12 0 "[ . 1 . 2]"
1 56 ARG 0.008 0.003 11 0 "[ . 1 . 2]"
1 57 GLN 0.142 0.011 20 0 "[ . 1 . 2]"
1 58 ILE 0.093 0.015 11 0 "[ . 1 . 2]"
1 59 ARG 0.075 0.009 20 0 "[ . 1 . 2]"
1 60 PHE 0.006 0.003 17 0 "[ . 1 . 2]"
1 61 ARG 0.066 0.020 17 0 "[ . 1 . 2]"
1 62 PHE 0.130 0.075 17 0 "[ . 1 . 2]"
1 63 ASP 0.026 0.008 15 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.105 0.075 17 0 "[ . 1 . 2]"
1 66 PRO 0.047 0.044 15 0 "[ . 1 . 2]"
1 67 ILE 0.071 0.044 15 0 "[ . 1 . 2]"
1 68 ASN 0.259 0.018 16 0 "[ . 1 . 2]"
1 69 GLU 0.166 0.011 6 0 "[ . 1 . 2]"
1 70 THR 0.017 0.010 9 0 "[ . 1 . 2]"
1 71 ASP 0.344 0.017 5 0 "[ . 1 . 2]"
1 72 THR 0.269 0.018 16 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.088 0.008 7 0 "[ . 1 . 2]"
1 75 GLN 0.208 0.008 9 0 "[ . 1 . 2]"
1 76 LEU 0.131 0.008 9 0 "[ . 1 . 2]"
1 77 GLU 0.078 0.008 11 0 "[ . 1 . 2]"
1 78 MET 0.276 0.020 7 0 "[ . 1 . 2]"
1 79 GLU 0.284 0.022 7 0 "[ . 1 . 2]"
1 80 ASP 0.022 0.022 7 0 "[ . 1 . 2]"
1 81 GLU 0.149 0.019 9 0 "[ . 1 . 2]"
1 82 ASP 0.674 0.020 7 0 "[ . 1 . 2]"
1 83 THR 0.049 0.008 4 0 "[ . 1 . 2]"
1 84 ILE 0.009 0.005 2 0 "[ . 1 . 2]"
1 85 ASP 0.002 0.001 18 0 "[ . 1 . 2]"
1 86 VAL 0.140 0.011 12 0 "[ . 1 . 2]"
1 87 PHE 0.394 0.017 4 0 "[ . 1 . 2]"
1 88 GLN 0.202 0.017 4 0 "[ . 1 . 2]"
1 89 GLN 0.021 0.007 7 0 "[ . 1 . 2]"
1 90 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 VAL 2.717 0.181 4 0 "[ . 1 . 2]"
2 35 ILE 0.517 0.041 17 0 "[ . 1 . 2]"
2 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 LEU 0.045 0.020 1 0 "[ . 1 . 2]"
2 39 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ASP 0.128 0.019 18 0 "[ . 1 . 2]"
2 42 GLU 0.070 0.018 13 0 "[ . 1 . 2]"
2 43 GLU 1.505 0.061 11 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 4 GLU H 1 5 LYS H 4.490 . 4.490 3.653 2.219 4.509 0.019 6 0 "[ . 1 . 2]" 1
2 1 5 LYS HA 1 6 PRO HD2 3.170 . 3.170 2.593 2.357 3.024 . 0 0 "[ . 1 . 2]" 1
3 1 5 LYS HA 1 6 PRO QD 3.660 . 3.660 2.072 1.940 2.184 . 0 0 "[ . 1 . 2]" 1
4 1 5 LYS HA 1 6 PRO HD3 3.170 . 3.170 2.202 1.964 2.460 . 0 0 "[ . 1 . 2]" 1
5 1 5 LYS QB 1 6 PRO QD 5.730 . 5.730 2.669 2.157 3.737 . 0 0 "[ . 1 . 2]" 1
6 1 5 LYS QG 1 6 PRO QD 6.230 . 6.230 3.440 2.499 4.028 . 0 0 "[ . 1 . 2]" 1
7 1 6 PRO HA 1 7 LYS H 3.270 . 3.270 2.279 2.146 2.611 . 0 0 "[ . 1 . 2]" 1
8 1 6 PRO HA 1 7 LYS QG 5.430 . 5.430 3.667 2.884 4.204 . 0 0 "[ . 1 . 2]" 1
9 1 10 VAL H 1 10 VAL HB 3.760 . 3.760 2.894 2.242 3.751 . 0 0 "[ . 1 . 2]" 1
10 1 10 VAL HA 1 11 LYS H 3.510 . 3.510 2.562 2.114 3.517 0.007 19 0 "[ . 1 . 2]" 1
11 1 10 VAL HB 1 11 LYS H 4.730 . 4.730 3.927 2.468 4.522 . 0 0 "[ . 1 . 2]" 1
12 1 11 LYS H 1 12 THR H 5.050 . 5.050 3.563 1.848 4.656 . 0 0 "[ . 1 . 2]" 1
13 1 11 LYS HA 1 12 THR H 3.350 . 3.350 2.647 2.183 3.379 0.029 5 0 "[ . 1 . 2]" 1
14 1 11 LYS QD 1 12 THR H 6.170 . 6.170 4.687 3.467 5.527 . 0 0 "[ . 1 . 2]" 1
15 1 12 THR H 1 13 GLU H 5.320 . 5.320 3.367 1.789 4.613 0.011 17 0 "[ . 1 . 2]" 1
16 1 12 THR HA 1 13 GLU H 3.280 . 3.280 2.701 2.176 3.293 0.013 17 0 "[ . 1 . 2]" 1
17 1 12 THR MG 1 13 GLU H 5.810 . 5.810 3.798 2.565 4.373 . 0 0 "[ . 1 . 2]" 1
18 1 13 GLU H 1 13 GLU QG 5.070 . 5.070 2.977 1.985 4.301 . 0 0 "[ . 1 . 2]" 1
19 1 14 ASN QB 1 15 ASN H 5.670 . 5.670 3.193 1.948 4.036 . 0 0 "[ . 1 . 2]" 1
20 1 16 ASP H 1 17 HIS H 4.150 . 4.150 3.022 1.997 4.169 0.019 5 0 "[ . 1 . 2]" 1
21 1 16 ASP H 1 17 HIS HA 5.050 . 5.050 4.847 4.449 5.065 0.015 2 0 "[ . 1 . 2]" 1
22 1 16 ASP HA 1 17 HIS H 3.050 . 3.050 2.809 2.141 3.116 0.066 7 0 "[ . 1 . 2]" 1
23 1 17 HIS H 1 17 HIS HB2 3.710 . 3.710 3.414 2.537 3.733 0.023 7 0 "[ . 1 . 2]" 1
24 1 17 HIS H 1 17 HIS HB3 3.710 . 3.710 2.966 2.350 3.717 0.007 8 0 "[ . 1 . 2]" 1
25 1 17 HIS H 1 18 ILE H 4.720 . 4.720 4.553 4.381 4.695 . 0 0 "[ . 1 . 2]" 1
26 1 17 HIS H 1 35 LYS QB 6.380 . 6.380 5.164 4.118 5.692 . 0 0 "[ . 1 . 2]" 1
27 1 17 HIS H 1 35 LYS QD 6.370 . 6.370 5.487 4.412 5.720 . 0 0 "[ . 1 . 2]" 1
28 1 17 HIS HA 1 35 LYS H 5.500 . 5.500 4.782 4.190 5.466 . 0 0 "[ . 1 . 2]" 1
29 1 17 HIS HA 1 35 LYS QG 5.590 . 5.590 2.716 2.150 3.385 . 0 0 "[ . 1 . 2]" 1
30 1 17 HIS HA 1 36 ARG H 5.500 . 5.500 4.155 3.445 4.843 . 0 0 "[ . 1 . 2]" 1
31 1 17 HIS HB2 1 18 ILE H 3.950 . 3.950 3.065 2.320 3.962 0.012 2 0 "[ . 1 . 2]" 1
32 1 17 HIS HB3 1 18 ILE H 3.950 . 3.950 3.625 2.823 3.960 0.010 7 0 "[ . 1 . 2]" 1
33 1 18 ILE H 1 18 ILE HB 4.090 . 4.090 3.763 3.624 3.893 . 0 0 "[ . 1 . 2]" 1
34 1 18 ILE H 1 18 ILE MD 5.080 . 5.080 4.040 3.826 4.265 . 0 0 "[ . 1 . 2]" 1
35 1 18 ILE H 1 18 ILE MG 4.510 . 4.510 3.149 2.813 3.330 . 0 0 "[ . 1 . 2]" 1
36 1 18 ILE H 1 19 ASN HA 5.360 . 5.360 4.501 4.366 4.631 . 0 0 "[ . 1 . 2]" 1
37 1 18 ILE H 1 33 LYS QG 5.160 . 5.160 4.062 3.427 4.362 . 0 0 "[ . 1 . 2]" 1
38 1 18 ILE H 1 35 LYS HA 3.970 . 3.970 3.397 3.288 3.628 . 0 0 "[ . 1 . 2]" 1
39 1 18 ILE H 1 35 LYS QB 6.350 . 6.350 5.226 4.898 5.602 . 0 0 "[ . 1 . 2]" 1
40 1 18 ILE H 1 35 LYS QG 5.950 . 5.950 4.141 3.570 5.056 . 0 0 "[ . 1 . 2]" 1
41 1 18 ILE H 1 36 ARG H 5.330 . 5.330 5.206 4.284 5.336 0.006 16 0 "[ . 1 . 2]" 1
42 1 18 ILE H 1 80 ASP QB 6.380 . 6.380 5.738 5.711 5.752 . 0 0 "[ . 1 . 2]" 1
43 1 18 ILE HA 1 19 ASN H 2.990 . 2.990 2.519 2.440 2.614 . 0 0 "[ . 1 . 2]" 1
44 1 18 ILE HB 1 19 ASN H 3.470 . 3.470 2.543 2.434 2.734 . 0 0 "[ . 1 . 2]" 1
45 1 18 ILE HB 1 80 ASP HA 4.130 . 4.130 2.030 1.921 2.191 . 0 0 "[ . 1 . 2]" 1
46 1 18 ILE HB 1 80 ASP QB 5.240 . 5.240 3.676 3.408 3.861 . 0 0 "[ . 1 . 2]" 1
47 1 18 ILE HB 1 81 GLU H 4.680 . 4.680 4.682 4.656 4.694 0.014 6 0 "[ . 1 . 2]" 1
48 1 18 ILE HB 1 81 GLU HA 5.500 . 5.500 5.098 4.603 5.447 . 0 0 "[ . 1 . 2]" 1
49 1 18 ILE MD 1 78 MET H 6.520 . 6.520 4.361 3.839 5.486 . 0 0 "[ . 1 . 2]" 1
50 1 18 ILE MD 1 78 MET QB 6.310 . 6.310 2.462 2.115 2.830 . 0 0 "[ . 1 . 2]" 1
51 1 18 ILE MD 1 79 GLU H 5.540 . 5.540 3.546 2.989 4.023 . 0 0 "[ . 1 . 2]" 1
52 1 18 ILE MD 1 79 GLU HA 5.320 . 5.320 3.348 2.525 3.780 . 0 0 "[ . 1 . 2]" 1
53 1 18 ILE MD 1 80 ASP H 5.630 . 5.630 4.428 4.157 4.544 . 0 0 "[ . 1 . 2]" 1
54 1 18 ILE MD 1 80 ASP HA 5.330 . 5.330 3.744 3.433 3.958 . 0 0 "[ . 1 . 2]" 1
55 1 18 ILE MD 1 80 ASP QB 7.190 . 7.190 4.740 4.393 5.022 . 0 0 "[ . 1 . 2]" 1
56 1 18 ILE MD 1 81 GLU H 6.520 . 6.520 5.203 5.041 5.246 . 0 0 "[ . 1 . 2]" 1
57 1 18 ILE MG 1 19 ASN H 4.880 . 4.880 3.746 3.644 4.020 . 0 0 "[ . 1 . 2]" 1
58 1 18 ILE MG 1 36 ARG H 6.520 . 6.520 5.106 4.118 5.244 . 0 0 "[ . 1 . 2]" 1
59 1 18 ILE MG 1 79 GLU HA 5.200 . 5.200 3.362 2.385 4.080 . 0 0 "[ . 1 . 2]" 1
60 1 18 ILE MG 1 80 ASP H 4.920 . 4.920 3.412 2.991 3.720 . 0 0 "[ . 1 . 2]" 1
61 1 18 ILE MG 1 80 ASP QB 5.630 . 5.630 2.560 2.336 2.835 . 0 0 "[ . 1 . 2]" 1
62 1 19 ASN H 1 19 ASN HB2 3.880 . 3.880 2.732 2.607 2.917 . 0 0 "[ . 1 . 2]" 1
63 1 19 ASN H 1 19 ASN HB3 3.880 . 3.880 3.802 3.746 3.846 . 0 0 "[ . 1 . 2]" 1
64 1 19 ASN H 1 20 LEU QB 6.160 . 6.160 4.995 4.762 5.247 . 0 0 "[ . 1 . 2]" 1
65 1 19 ASN H 1 33 LYS QG 6.220 . 6.220 4.973 4.480 5.541 . 0 0 "[ . 1 . 2]" 1
66 1 19 ASN H 1 81 GLU H 4.870 . 4.870 4.441 4.260 4.561 . 0 0 "[ . 1 . 2]" 1
67 1 19 ASN HA 1 20 LEU H 2.870 . 2.870 2.265 2.195 2.333 . 0 0 "[ . 1 . 2]" 1
68 1 19 ASN HA 1 20 LEU QD 6.780 . 6.780 3.542 3.107 3.780 . 0 0 "[ . 1 . 2]" 1
69 1 19 ASN HA 1 33 LYS HA 3.750 . 3.750 2.316 2.111 2.539 . 0 0 "[ . 1 . 2]" 1
70 1 19 ASN HA 1 33 LYS QB 5.540 . 5.540 4.266 3.741 4.548 . 0 0 "[ . 1 . 2]" 1
71 1 19 ASN HA 1 34 ILE H 4.030 . 4.030 2.935 2.737 3.095 . 0 0 "[ . 1 . 2]" 1
72 1 19 ASN QB 1 20 LEU H 4.680 . 4.680 2.771 2.620 2.874 . 0 0 "[ . 1 . 2]" 1
73 1 19 ASN QB 1 33 LYS H 5.890 . 5.890 4.975 4.893 5.034 . 0 0 "[ . 1 . 2]" 1
74 1 19 ASN QB 1 33 LYS QB 6.230 . 6.230 4.184 3.434 4.486 . 0 0 "[ . 1 . 2]" 1
75 1 19 ASN QB 1 34 ILE H 6.220 . 6.220 4.762 4.463 4.922 . 0 0 "[ . 1 . 2]" 1
76 1 19 ASN HB2 1 20 LEU H 4.350 . 4.350 3.914 3.653 4.047 . 0 0 "[ . 1 . 2]" 1
77 1 19 ASN HB2 1 33 LYS HA 4.590 . 4.590 4.596 4.557 4.605 0.015 2 0 "[ . 1 . 2]" 1
78 1 19 ASN HB3 1 20 LEU H 4.350 . 4.350 2.836 2.667 2.956 . 0 0 "[ . 1 . 2]" 1
79 1 19 ASN HB3 1 33 LYS HA 4.590 . 4.590 3.548 3.164 3.754 . 0 0 "[ . 1 . 2]" 1
80 1 20 LEU H 1 20 LEU HG 4.070 . 4.070 3.612 2.852 3.891 . 0 0 "[ . 1 . 2]" 1
81 1 20 LEU H 1 21 LYS H 4.740 . 4.740 4.373 4.310 4.441 . 0 0 "[ . 1 . 2]" 1
82 1 20 LEU H 1 31 GLN HA 4.520 . 4.520 4.502 4.362 4.526 0.006 1 0 "[ . 1 . 2]" 1
83 1 20 LEU H 1 31 GLN HB2 4.790 . 4.790 4.079 3.768 4.501 . 0 0 "[ . 1 . 2]" 1
84 1 20 LEU H 1 31 GLN QE 6.170 . 6.170 3.913 3.271 4.329 . 0 0 "[ . 1 . 2]" 1
85 1 20 LEU H 1 32 PHE HA 5.160 . 5.160 4.843 4.783 4.927 . 0 0 "[ . 1 . 2]" 1
86 1 20 LEU H 1 32 PHE QB 5.330 . 5.330 3.672 2.906 4.766 . 0 0 "[ . 1 . 2]" 1
87 1 20 LEU H 1 33 LYS QB 6.100 . 6.100 5.350 4.958 5.417 . 0 0 "[ . 1 . 2]" 1
88 1 20 LEU H 1 43 LEU QD 7.360 . 7.360 4.772 3.974 5.480 . 0 0 "[ . 1 . 2]" 1
89 1 20 LEU HA 1 20 LEU HG 3.710 . 3.710 3.581 3.500 3.647 . 0 0 "[ . 1 . 2]" 1
90 1 20 LEU HA 1 21 LYS H 2.830 . 2.830 2.392 2.330 2.477 . 0 0 "[ . 1 . 2]" 1
91 1 20 LEU HA 1 79 GLU H 5.500 . 5.500 5.512 5.507 5.520 0.020 13 0 "[ . 1 . 2]" 1
92 1 20 LEU HA 1 82 ASP H 4.110 . 4.110 2.197 2.048 2.397 . 0 0 "[ . 1 . 2]" 1
93 1 20 LEU QB 1 43 LEU QD 8.150 . 8.150 3.841 3.555 4.388 . 0 0 "[ . 1 . 2]" 1
94 1 20 LEU QB 1 81 GLU HA 5.920 . 5.920 4.721 4.488 4.830 . 0 0 "[ . 1 . 2]" 1
95 1 20 LEU QB 1 82 ASP H 5.270 . 5.270 3.072 2.834 3.247 . 0 0 "[ . 1 . 2]" 1
96 1 20 LEU QB 1 82 ASP HB3 5.120 . 5.120 2.243 1.919 2.726 . 0 0 "[ . 1 . 2]" 1
97 1 20 LEU QD 1 21 LYS H 6.480 . 6.480 3.925 3.528 4.098 . 0 0 "[ . 1 . 2]" 1
98 1 20 LEU QD 1 31 GLN HB2 7.200 . 7.200 4.810 4.445 5.392 . 0 0 "[ . 1 . 2]" 1
99 1 20 LEU QD 1 32 PHE QB 7.630 . 7.630 2.360 1.881 4.186 . 0 0 "[ . 1 . 2]" 1
100 1 20 LEU QD 1 40 LEU HA 5.400 . 5.400 3.768 3.130 3.947 . 0 0 "[ . 1 . 2]" 1
101 1 20 LEU QD 1 40 LEU QB 6.140 . 6.140 3.268 2.675 3.548 . 0 0 "[ . 1 . 2]" 1
102 1 20 LEU QD 1 42 LYS H 7.600 . 7.600 5.659 5.559 5.683 . 0 0 "[ . 1 . 2]" 1
103 1 20 LEU QD 1 43 LEU H 6.710 . 6.710 4.301 4.173 4.567 . 0 0 "[ . 1 . 2]" 1
104 1 20 LEU QD 1 43 LEU HA 7.350 . 7.350 4.457 4.162 5.044 . 0 0 "[ . 1 . 2]" 1
105 1 20 LEU QD 1 43 LEU QB 6.040 . 6.040 2.489 2.194 3.165 . 0 0 "[ . 1 . 2]" 1
106 1 20 LEU QD 1 43 LEU QD 6.950 . 6.950 1.734 1.579 2.300 0.221 15 0 "[ . 1 . 2]" 1
107 1 20 LEU QD 1 44 MET H 6.950 . 6.950 5.081 4.937 5.132 . 0 0 "[ . 1 . 2]" 1
108 1 20 LEU QD 1 81 GLU HA 7.600 . 7.600 5.616 5.520 5.682 . 0 0 "[ . 1 . 2]" 1
109 1 20 LEU QD 1 82 ASP H 7.100 . 7.100 4.525 4.342 4.645 . 0 0 "[ . 1 . 2]" 1
110 1 20 LEU QD 1 84 ILE QG 6.760 . 6.760 2.303 1.930 2.903 . 0 0 "[ . 1 . 2]" 1
111 1 20 LEU HG 1 21 LYS H 3.880 . 3.880 3.493 3.172 3.885 0.005 2 0 "[ . 1 . 2]" 1
112 1 20 LEU HG 1 21 LYS HA 4.320 . 4.320 3.611 3.356 3.878 . 0 0 "[ . 1 . 2]" 1
113 1 20 LEU HG 1 31 GLN HA 5.050 . 5.050 4.670 4.370 4.848 . 0 0 "[ . 1 . 2]" 1
114 1 20 LEU HG 1 31 GLN HB2 5.500 . 5.500 5.483 5.275 5.514 0.014 17 0 "[ . 1 . 2]" 1
115 1 20 LEU HG 1 32 PHE H 4.340 . 4.340 4.138 3.588 4.344 0.004 12 0 "[ . 1 . 2]" 1
116 1 20 LEU HG 1 32 PHE QB 5.940 . 5.940 4.094 3.037 5.024 . 0 0 "[ . 1 . 2]" 1
117 1 20 LEU HG 1 43 LEU QB 5.850 . 5.850 4.254 3.850 4.546 . 0 0 "[ . 1 . 2]" 1
118 1 20 LEU HG 1 43 LEU QD 5.990 . 5.990 2.768 1.990 3.617 . 0 0 "[ . 1 . 2]" 1
119 1 20 LEU HG 1 43 LEU HG 5.500 . 5.500 4.624 2.910 5.516 0.016 6 0 "[ . 1 . 2]" 1
120 1 20 LEU HG 1 82 ASP H 5.500 . 5.500 5.478 5.261 5.516 0.016 16 0 "[ . 1 . 2]" 1
121 1 20 LEU HG 1 82 ASP HB2 5.500 . 5.500 5.511 5.506 5.517 0.017 18 0 "[ . 1 . 2]" 1
122 1 20 LEU HG 1 82 ASP HB3 5.500 . 5.500 4.600 4.214 5.162 . 0 0 "[ . 1 . 2]" 1
123 1 20 LEU HG 1 84 ILE H 5.500 . 5.500 5.081 4.737 5.505 0.005 2 0 "[ . 1 . 2]" 1
124 1 20 LEU HG 1 84 ILE HB 5.500 . 5.500 4.515 4.066 5.500 0.000 14 0 "[ . 1 . 2]" 1
125 1 20 LEU HG 1 84 ILE QG 6.380 . 6.380 3.735 2.947 4.643 . 0 0 "[ . 1 . 2]" 1
126 1 21 LYS H 1 21 LYS QD 5.300 . 5.300 4.043 2.508 4.391 . 0 0 "[ . 1 . 2]" 1
127 1 21 LYS H 1 21 LYS QE 5.690 . 5.690 3.318 2.494 3.688 . 0 0 "[ . 1 . 2]" 1
128 1 21 LYS H 1 31 GLN HA 4.440 . 4.440 4.448 4.294 4.463 0.023 3 0 "[ . 1 . 2]" 1
129 1 21 LYS H 1 31 GLN HB2 4.400 . 4.400 4.180 3.864 4.406 0.006 7 0 "[ . 1 . 2]" 1
130 1 21 LYS H 1 31 GLN HB3 5.080 . 5.080 5.077 4.986 5.093 0.013 18 0 "[ . 1 . 2]" 1
131 1 21 LYS H 1 84 ILE H 4.370 . 4.370 3.911 3.622 4.106 . 0 0 "[ . 1 . 2]" 1
132 1 21 LYS HA 1 22 VAL H 2.800 . 2.800 2.241 2.185 2.442 . 0 0 "[ . 1 . 2]" 1
133 1 21 LYS HA 1 29 VAL QG 6.780 . 6.780 3.924 3.502 4.377 . 0 0 "[ . 1 . 2]" 1
134 1 21 LYS HA 1 31 GLN HB2 4.460 . 4.460 3.066 2.739 3.373 . 0 0 "[ . 1 . 2]" 1
135 1 21 LYS HA 1 31 GLN HB3 4.880 . 4.880 3.445 3.286 3.689 . 0 0 "[ . 1 . 2]" 1
136 1 21 LYS QB 1 22 VAL H 5.630 . 5.630 2.757 2.660 2.930 . 0 0 "[ . 1 . 2]" 1
137 1 21 LYS QB 1 30 VAL H 4.820 . 4.820 3.810 3.623 3.927 . 0 0 "[ . 1 . 2]" 1
138 1 21 LYS QB 1 31 GLN H 4.760 . 4.760 3.992 3.459 4.265 . 0 0 "[ . 1 . 2]" 1
139 1 21 LYS QB 1 31 GLN HA 4.740 . 4.740 2.819 2.331 3.070 . 0 0 "[ . 1 . 2]" 1
140 1 21 LYS QB 1 31 GLN HB3 4.000 . 4.000 2.327 2.071 2.483 . 0 0 "[ . 1 . 2]" 1
141 1 21 LYS QB 1 31 GLN QG 5.790 . 5.790 3.726 3.502 3.919 . 0 0 "[ . 1 . 2]" 1
142 1 21 LYS QB 1 32 PHE H 5.210 . 5.210 4.211 3.878 4.451 . 0 0 "[ . 1 . 2]" 1
143 1 21 LYS QB 1 83 THR HA 5.970 . 5.970 4.352 4.177 4.755 . 0 0 "[ . 1 . 2]" 1
144 1 21 LYS QB 1 84 ILE H 6.110 . 6.110 4.958 4.795 5.278 . 0 0 "[ . 1 . 2]" 1
145 1 21 LYS QD 1 22 VAL H 6.070 . 6.070 4.798 4.385 5.178 . 0 0 "[ . 1 . 2]" 1
146 1 21 LYS QD 1 30 VAL H 6.380 . 6.380 5.509 5.276 5.750 . 0 0 "[ . 1 . 2]" 1
147 1 21 LYS QE 1 22 VAL H 6.380 . 6.380 5.649 5.320 5.731 . 0 0 "[ . 1 . 2]" 1
148 1 21 LYS QE 1 81 GLU HA 5.430 . 5.430 4.301 3.755 4.903 . 0 0 "[ . 1 . 2]" 1
149 1 21 LYS QE 1 81 GLU QB 6.420 . 6.420 3.282 2.763 3.799 . 0 0 "[ . 1 . 2]" 1
150 1 21 LYS QE 1 81 GLU QG 6.870 . 6.870 4.519 3.298 5.136 . 0 0 "[ . 1 . 2]" 1
151 1 21 LYS QE 1 83 THR HA 5.260 . 5.260 3.821 3.558 4.157 . 0 0 "[ . 1 . 2]" 1
152 1 21 LYS QE 1 84 ILE H 6.380 . 6.380 5.443 5.229 5.730 . 0 0 "[ . 1 . 2]" 1
153 1 21 LYS QG 1 22 VAL H 5.400 . 5.400 3.457 3.119 3.737 . 0 0 "[ . 1 . 2]" 1
154 1 21 LYS QG 1 31 GLN HA 5.690 . 5.690 4.687 4.206 4.877 . 0 0 "[ . 1 . 2]" 1
155 1 21 LYS QG 1 83 THR HA 5.490 . 5.490 2.453 2.049 4.015 . 0 0 "[ . 1 . 2]" 1
156 1 22 VAL H 1 22 VAL HB 3.230 . 3.230 2.740 2.362 3.273 0.043 13 0 "[ . 1 . 2]" 1
157 1 22 VAL H 1 29 VAL QG 5.630 . 5.630 3.161 2.589 3.560 . 0 0 "[ . 1 . 2]" 1
158 1 22 VAL H 1 30 VAL H 3.480 . 3.480 2.898 2.775 2.991 . 0 0 "[ . 1 . 2]" 1
159 1 22 VAL H 1 30 VAL HA 5.210 . 5.210 4.782 4.673 4.908 . 0 0 "[ . 1 . 2]" 1
160 1 22 VAL H 1 30 VAL QG 7.350 . 7.350 3.493 3.278 3.763 . 0 0 "[ . 1 . 2]" 1
161 1 22 VAL QG 1 84 ILE H 5.850 . 5.850 3.617 3.405 3.983 . 0 0 "[ . 1 . 2]" 1
162 1 22 VAL QG 1 84 ILE HB 5.500 . 5.500 2.104 1.964 2.401 . 0 0 "[ . 1 . 2]" 1
163 1 22 VAL QG 1 86 VAL H 7.540 . 7.540 3.915 3.345 4.955 . 0 0 "[ . 1 . 2]" 1
164 1 22 VAL QG 1 86 VAL HB 6.740 . 6.740 3.658 2.120 4.972 . 0 0 "[ . 1 . 2]" 1
165 1 22 VAL MG1 1 84 ILE HB 5.220 . 5.220 3.657 2.036 4.424 . 0 0 "[ . 1 . 2]" 1
166 1 22 VAL MG2 1 84 ILE HB 5.220 . 5.220 2.352 1.978 4.384 . 0 0 "[ . 1 . 2]" 1
167 1 23 ALA H 1 84 ILE H 4.210 . 4.210 3.733 3.587 3.989 . 0 0 "[ . 1 . 2]" 1
168 1 23 ALA H 1 85 ASP HA 4.070 . 4.070 3.045 2.775 3.261 . 0 0 "[ . 1 . 2]" 1
169 1 23 ALA H 1 86 VAL H 4.860 . 4.860 3.975 3.704 4.130 . 0 0 "[ . 1 . 2]" 1
170 1 23 ALA HA 1 24 GLY H 2.770 . 2.770 2.141 2.100 2.173 . 0 0 "[ . 1 . 2]" 1
171 1 23 ALA HA 1 29 VAL HA 4.190 . 4.190 2.474 2.173 2.769 . 0 0 "[ . 1 . 2]" 1
172 1 23 ALA HA 1 29 VAL QG 6.480 . 6.480 2.722 2.025 3.135 . 0 0 "[ . 1 . 2]" 1
173 1 23 ALA HA 1 30 VAL H 4.830 . 4.830 3.951 3.683 4.173 . 0 0 "[ . 1 . 2]" 1
174 1 23 ALA MB 1 24 GLY H 4.480 . 4.480 3.104 2.928 3.165 . 0 0 "[ . 1 . 2]" 1
175 1 23 ALA MB 1 30 VAL H 6.520 . 6.520 4.736 4.578 5.087 . 0 0 "[ . 1 . 2]" 1
176 1 23 ALA MB 1 84 ILE H 6.100 . 6.100 4.387 4.044 4.750 . 0 0 "[ . 1 . 2]" 1
177 1 23 ALA MB 1 85 ASP HA 4.920 . 4.920 3.388 2.990 3.639 . 0 0 "[ . 1 . 2]" 1
178 1 23 ALA MB 1 85 ASP QB 6.980 . 6.980 4.733 4.319 4.976 . 0 0 "[ . 1 . 2]" 1
179 1 24 GLY H 1 25 GLN H 4.400 . 4.400 4.354 4.022 4.412 0.012 1 0 "[ . 1 . 2]" 1
180 1 24 GLY H 1 28 SER H 4.530 . 4.530 3.590 3.231 4.097 . 0 0 "[ . 1 . 2]" 1
181 1 24 GLY H 1 28 SER HA 5.500 . 5.500 4.886 4.581 5.153 . 0 0 "[ . 1 . 2]" 1
182 1 24 GLY H 1 29 VAL HA 4.440 . 4.440 3.576 3.069 3.844 . 0 0 "[ . 1 . 2]" 1
183 1 24 GLY H 1 29 VAL HB 5.500 . 5.500 4.490 3.585 5.511 0.011 17 0 "[ . 1 . 2]" 1
184 1 24 GLY H 1 29 VAL QG 6.090 . 6.090 4.053 2.675 4.515 . 0 0 "[ . 1 . 2]" 1
185 1 24 GLY QA 1 25 GLN H 3.920 . 3.920 2.212 2.104 2.287 . 0 0 "[ . 1 . 2]" 1
186 1 24 GLY QA 1 86 VAL H 4.890 . 4.890 3.015 2.750 3.189 . 0 0 "[ . 1 . 2]" 1
187 1 24 GLY QA 1 86 VAL QG 6.850 . 6.850 2.676 1.969 3.200 . 0 0 "[ . 1 . 2]" 1
188 1 24 GLY HA2 1 86 VAL H 4.820 . 4.820 3.351 2.773 4.619 . 0 0 "[ . 1 . 2]" 1
189 1 24 GLY HA2 1 86 VAL MG1 7.220 . 7.220 3.824 2.032 5.366 . 0 0 "[ . 1 . 2]" 1
190 1 24 GLY HA2 1 86 VAL MG2 7.220 . 7.220 3.802 2.740 5.989 . 0 0 "[ . 1 . 2]" 1
191 1 24 GLY HA3 1 86 VAL H 4.820 . 4.820 4.250 2.977 4.824 0.004 5 0 "[ . 1 . 2]" 1
192 1 24 GLY HA3 1 86 VAL MG1 7.220 . 7.220 3.784 1.985 4.488 . 0 0 "[ . 1 . 2]" 1
193 1 24 GLY HA3 1 86 VAL MG2 7.220 . 7.220 3.925 2.658 5.262 . 0 0 "[ . 1 . 2]" 1
194 1 25 GLN H 1 25 GLN HB2 4.040 . 4.040 2.924 2.337 3.716 . 0 0 "[ . 1 . 2]" 1
195 1 25 GLN H 1 25 GLN HB3 4.040 . 4.040 3.485 2.472 3.972 . 0 0 "[ . 1 . 2]" 1
196 1 25 GLN H 1 25 GLN QG 4.700 . 4.700 2.619 2.155 4.099 . 0 0 "[ . 1 . 2]" 1
197 1 25 GLN H 1 26 ASP H 3.770 . 3.770 2.793 2.185 3.772 0.002 7 0 "[ . 1 . 2]" 1
198 1 25 GLN H 1 86 VAL HB 5.190 . 5.190 4.029 3.357 5.199 0.009 7 0 "[ . 1 . 2]" 1
199 1 25 GLN H 1 86 VAL QG 7.540 . 7.540 3.754 2.130 4.442 . 0 0 "[ . 1 . 2]" 1
200 1 25 GLN QB 1 27 GLY H 5.670 . 5.670 4.473 3.805 4.779 . 0 0 "[ . 1 . 2]" 1
201 1 25 GLN HB2 1 27 GLY H 5.500 . 5.500 4.986 4.353 5.434 . 0 0 "[ . 1 . 2]" 1
202 1 25 GLN HB3 1 27 GLY H 5.500 . 5.500 5.176 3.926 5.505 0.005 4 0 "[ . 1 . 2]" 1
203 1 25 GLN QG 1 26 ASP H 5.600 . 5.600 4.200 2.808 4.876 . 0 0 "[ . 1 . 2]" 1
204 1 25 GLN QG 1 27 GLY H 6.380 . 6.380 5.323 4.753 5.724 . 0 0 "[ . 1 . 2]" 1
205 1 26 ASP H 1 26 ASP HB2 4.040 . 4.040 3.325 2.309 3.753 . 0 0 "[ . 1 . 2]" 1
206 1 26 ASP H 1 26 ASP HB3 4.040 . 4.040 3.302 2.557 4.053 0.013 14 0 "[ . 1 . 2]" 1
207 1 26 ASP H 1 27 GLY H 3.080 . 3.080 2.502 2.002 2.844 . 0 0 "[ . 1 . 2]" 1
208 1 26 ASP H 1 28 SER H 4.040 . 4.040 3.582 2.392 4.052 0.012 14 0 "[ . 1 . 2]" 1
209 1 26 ASP QB 1 27 GLY H 4.970 . 4.970 3.843 3.148 4.032 . 0 0 "[ . 1 . 2]" 1
210 1 26 ASP HB2 1 27 GLY H 4.720 . 4.720 4.247 3.293 4.630 . 0 0 "[ . 1 . 2]" 1
211 1 26 ASP HB3 1 27 GLY H 4.720 . 4.720 4.436 4.001 4.602 . 0 0 "[ . 1 . 2]" 1
212 1 27 GLY H 1 28 SER QB 6.030 . 6.030 4.619 3.871 5.205 . 0 0 "[ . 1 . 2]" 1
213 1 27 GLY QA 1 28 SER H 4.000 . 4.000 2.923 2.797 2.984 . 0 0 "[ . 1 . 2]" 1
214 1 28 SER H 1 29 VAL H 4.570 . 4.570 4.528 4.366 4.578 0.008 13 0 "[ . 1 . 2]" 1
215 1 28 SER H 1 29 VAL QG 7.400 . 7.400 4.795 3.579 5.299 . 0 0 "[ . 1 . 2]" 1
216 1 28 SER HA 1 29 VAL H 2.610 . 2.610 2.200 2.018 2.350 . 0 0 "[ . 1 . 2]" 1
217 1 28 SER HA 1 29 VAL HB 4.700 . 4.700 4.249 3.865 4.702 0.002 10 0 "[ . 1 . 2]" 1
218 1 28 SER HA 1 29 VAL QG 6.390 . 6.390 3.349 2.597 3.885 . 0 0 "[ . 1 . 2]" 1
219 1 28 SER QB 1 29 VAL H 4.360 . 4.360 2.978 2.308 3.853 . 0 0 "[ . 1 . 2]" 1
220 1 28 SER QB 1 30 VAL H 6.170 . 6.170 5.390 5.040 5.540 . 0 0 "[ . 1 . 2]" 1
221 1 29 VAL H 1 29 VAL HB 3.480 . 3.480 3.068 2.628 3.286 . 0 0 "[ . 1 . 2]" 1
222 1 29 VAL HA 1 30 VAL H 2.840 . 2.840 2.211 2.134 2.422 . 0 0 "[ . 1 . 2]" 1
223 1 29 VAL QG 1 30 VAL H 5.510 . 5.510 2.543 2.391 2.704 . 0 0 "[ . 1 . 2]" 1
224 1 29 VAL QG 1 31 GLN HA 7.440 . 7.440 4.293 3.985 4.619 . 0 0 "[ . 1 . 2]" 1
225 1 30 VAL H 1 30 VAL HB 3.580 . 3.580 3.073 2.692 3.619 0.039 14 0 "[ . 1 . 2]" 1
226 1 30 VAL HA 1 31 GLN H 2.830 . 2.830 2.209 2.151 2.283 . 0 0 "[ . 1 . 2]" 1
227 1 30 VAL QG 1 31 GLN H 5.330 . 5.330 2.480 2.300 3.487 . 0 0 "[ . 1 . 2]" 1
228 1 30 VAL QG 1 31 GLN HA 6.440 . 6.440 3.509 2.986 3.979 . 0 0 "[ . 1 . 2]" 1
229 1 30 VAL QG 1 50 ARG QB 7.770 . 7.770 2.685 2.072 2.959 . 0 0 "[ . 1 . 2]" 1
230 1 30 VAL QG 2 34 VAL QG 9.110 . 9.110 1.694 1.619 1.873 0.181 4 0 "[ . 1 . 2]" 1
231 1 30 VAL QG 2 35 ILE HA 7.050 . 7.050 5.033 4.702 5.118 . 0 0 "[ . 1 . 2]" 1
232 1 30 VAL QG 2 35 ILE MD 6.560 . 6.560 2.091 1.759 2.515 0.041 17 0 "[ . 1 . 2]" 1
233 1 30 VAL QG 2 35 ILE QG 7.810 . 7.810 3.455 3.143 3.830 . 0 0 "[ . 1 . 2]" 1
234 1 30 VAL MG1 1 31 GLN H 5.230 . 5.230 3.425 2.684 3.714 . 0 0 "[ . 1 . 2]" 1
235 1 30 VAL MG1 1 50 ARG QD 5.870 . 5.870 3.975 2.175 4.190 . 0 0 "[ . 1 . 2]" 1
236 1 30 VAL MG1 2 35 ILE MG 7.040 . 7.040 4.475 3.447 4.768 . 0 0 "[ . 1 . 2]" 1
237 1 30 VAL MG2 1 31 GLN H 5.230 . 5.230 2.620 2.333 4.227 . 0 0 "[ . 1 . 2]" 1
238 1 30 VAL MG2 1 50 ARG QD 5.870 . 5.870 2.998 2.315 4.095 . 0 0 "[ . 1 . 2]" 1
239 1 30 VAL MG2 2 35 ILE MG 7.040 . 7.040 4.741 4.432 4.781 . 0 0 "[ . 1 . 2]" 1
240 1 31 GLN H 1 31 GLN HB3 3.510 . 3.510 2.685 2.422 2.866 . 0 0 "[ . 1 . 2]" 1
241 1 31 GLN H 1 31 GLN QE 5.700 . 5.700 4.390 4.174 4.841 . 0 0 "[ . 1 . 2]" 1
242 1 31 GLN H 1 31 GLN QG 4.870 . 4.870 2.649 2.349 2.978 . 0 0 "[ . 1 . 2]" 1
243 1 31 GLN H 1 32 PHE H 4.580 . 4.580 4.510 4.421 4.579 . 0 0 "[ . 1 . 2]" 1
244 1 31 GLN HA 1 31 GLN QE 5.520 . 5.520 3.840 3.463 4.271 . 0 0 "[ . 1 . 2]" 1
245 1 31 GLN HA 1 32 PHE H 2.910 . 2.910 2.207 2.144 2.285 . 0 0 "[ . 1 . 2]" 1
246 1 31 GLN HB2 1 32 PHE H 3.600 . 3.600 2.741 2.450 3.091 . 0 0 "[ . 1 . 2]" 1
247 1 31 GLN HB2 2 34 VAL QG 7.050 . 7.050 4.300 4.104 4.494 . 0 0 "[ . 1 . 2]" 1
248 1 31 GLN HB3 2 34 VAL QG 5.540 . 5.540 3.561 3.235 3.775 . 0 0 "[ . 1 . 2]" 1
249 1 31 GLN QE 1 32 PHE H 4.590 . 4.590 2.886 2.162 3.270 . 0 0 "[ . 1 . 2]" 1
250 1 31 GLN QE 1 32 PHE HA 5.020 . 5.020 2.851 2.410 3.652 . 0 0 "[ . 1 . 2]" 1
251 1 31 GLN QE 1 32 PHE QB 6.270 . 6.270 4.134 3.833 4.452 . 0 0 "[ . 1 . 2]" 1
252 1 31 GLN QE 1 33 LYS H 4.840 . 4.840 3.426 2.893 3.880 . 0 0 "[ . 1 . 2]" 1
253 1 31 GLN QE 2 37 LEU QD 7.920 . 7.920 4.917 4.601 5.283 . 0 0 "[ . 1 . 2]" 1
254 1 31 GLN QG 1 32 PHE H 5.060 . 5.060 4.038 3.813 4.160 . 0 0 "[ . 1 . 2]" 1
255 1 31 GLN QG 2 34 VAL QG 7.400 . 7.400 2.160 1.943 2.532 . 0 0 "[ . 1 . 2]" 1
256 1 32 PHE H 1 33 LYS H 4.410 . 4.410 4.350 4.281 4.406 . 0 0 "[ . 1 . 2]" 1
257 1 32 PHE H 1 43 LEU QD 7.180 . 7.180 4.659 3.438 5.395 . 0 0 "[ . 1 . 2]" 1
258 1 32 PHE H 2 35 ILE MG 6.020 . 6.020 4.798 4.618 4.883 . 0 0 "[ . 1 . 2]" 1
259 1 32 PHE HA 1 33 LYS H 2.940 . 2.940 2.242 2.124 2.391 . 0 0 "[ . 1 . 2]" 1
260 1 32 PHE QB 1 33 LYS H 4.660 . 4.660 3.135 2.747 3.883 . 0 0 "[ . 1 . 2]" 1
261 1 32 PHE QB 1 34 ILE H 6.220 . 6.220 5.041 4.780 5.623 . 0 0 "[ . 1 . 2]" 1
262 1 32 PHE QB 1 43 LEU QD 6.990 . 6.990 3.197 2.072 4.336 . 0 0 "[ . 1 . 2]" 1
263 1 32 PHE QB 2 34 VAL QG 7.320 . 7.320 4.587 4.092 4.789 . 0 0 "[ . 1 . 2]" 1
264 1 32 PHE HB2 1 33 LYS H 4.600 . 4.600 3.762 2.885 4.337 . 0 0 "[ . 1 . 2]" 1
265 1 32 PHE HB2 2 34 VAL MG1 7.780 . 7.780 6.013 4.669 6.422 . 0 0 "[ . 1 . 2]" 1
266 1 32 PHE HB2 2 34 VAL MG2 7.780 . 7.780 6.194 5.262 6.408 . 0 0 "[ . 1 . 2]" 1
267 1 32 PHE HB2 2 35 ILE MG 6.020 . 6.020 3.327 2.044 3.884 . 0 0 "[ . 1 . 2]" 1
268 1 32 PHE HB3 1 33 LYS H 4.600 . 4.600 3.436 2.914 4.477 . 0 0 "[ . 1 . 2]" 1
269 1 32 PHE HB3 2 34 VAL MG1 7.780 . 7.780 5.680 4.933 6.434 . 0 0 "[ . 1 . 2]" 1
270 1 32 PHE HB3 2 34 VAL MG2 7.780 . 7.780 5.737 5.050 6.403 . 0 0 "[ . 1 . 2]" 1
271 1 32 PHE HB3 2 35 ILE MG 6.020 . 6.020 2.355 1.980 3.994 . 0 0 "[ . 1 . 2]" 1
272 1 32 PHE QE 2 35 ILE HB 7.130 . 7.130 4.661 4.014 5.989 . 0 0 "[ . 1 . 2]" 1
273 1 32 PHE QE 2 35 ILE MD 8.150 . 8.150 2.810 2.262 5.297 . 0 0 "[ . 1 . 2]" 1
274 1 32 PHE QE 2 35 ILE MG 6.650 . 6.650 3.761 2.872 4.637 . 0 0 "[ . 1 . 2]" 1
275 1 32 PHE QE 2 37 LEU QD 9.180 . 9.180 4.290 2.000 4.896 . 0 0 "[ . 1 . 2]" 1
276 1 33 LYS H 1 34 ILE H 5.000 . 5.000 4.335 4.085 4.433 . 0 0 "[ . 1 . 2]" 1
277 1 33 LYS H 1 34 ILE MG 5.640 . 5.640 4.282 3.483 4.508 . 0 0 "[ . 1 . 2]" 1
278 1 33 LYS H 2 35 ILE MG 6.020 . 6.020 2.802 2.563 3.099 . 0 0 "[ . 1 . 2]" 1
279 1 33 LYS H 2 37 LEU QB 5.880 . 5.880 4.805 4.377 5.286 . 0 0 "[ . 1 . 2]" 1
280 1 33 LYS H 2 37 LEU HG 5.000 . 5.000 4.280 3.255 5.020 0.020 1 0 "[ . 1 . 2]" 1
281 1 33 LYS HA 1 33 LYS HG2 4.160 . 4.160 3.017 2.540 3.290 . 0 0 "[ . 1 . 2]" 1
282 1 33 LYS HA 1 33 LYS HG3 4.160 . 4.160 2.580 2.339 2.946 . 0 0 "[ . 1 . 2]" 1
283 1 33 LYS HA 1 34 ILE H 2.980 . 2.980 2.153 2.012 2.308 . 0 0 "[ . 1 . 2]" 1
284 1 33 LYS HA 1 34 ILE MG 5.290 . 5.290 3.065 2.778 3.531 . 0 0 "[ . 1 . 2]" 1
285 1 33 LYS QB 1 34 ILE H 4.800 . 4.800 3.838 3.762 3.995 . 0 0 "[ . 1 . 2]" 1
286 1 33 LYS QB 2 36 ASP HA 5.880 . 5.880 2.139 1.930 2.400 . 0 0 "[ . 1 . 2]" 1
287 1 33 LYS QB 2 36 ASP QB 6.640 . 6.640 3.712 3.239 4.098 . 0 0 "[ . 1 . 2]" 1
288 1 33 LYS QB 2 37 LEU MD1 6.900 . 6.900 4.871 3.712 5.096 . 0 0 "[ . 1 . 2]" 1
289 1 33 LYS QB 2 37 LEU MD2 6.900 . 6.900 3.665 2.680 4.977 . 0 0 "[ . 1 . 2]" 1
290 1 33 LYS QD 1 34 ILE H 5.930 . 5.930 5.047 4.539 5.343 . 0 0 "[ . 1 . 2]" 1
291 1 33 LYS QE 1 34 ILE H 6.380 . 6.380 5.072 4.058 5.474 . 0 0 "[ . 1 . 2]" 1
292 1 33 LYS QE 2 37 LEU QD 7.930 . 7.930 4.528 3.650 5.193 . 0 0 "[ . 1 . 2]" 1
293 1 33 LYS QG 1 34 ILE H 4.400 . 4.400 3.021 2.644 3.314 . 0 0 "[ . 1 . 2]" 1
294 1 33 LYS HG2 1 34 ILE H 4.200 . 4.200 3.289 2.857 3.596 . 0 0 "[ . 1 . 2]" 1
295 1 33 LYS HG3 1 34 ILE H 4.200 . 4.200 3.627 2.765 4.202 0.002 18 0 "[ . 1 . 2]" 1
296 1 34 ILE H 1 34 ILE MG 4.510 . 4.510 2.140 1.868 2.282 . 0 0 "[ . 1 . 2]" 1
297 1 34 ILE H 1 35 LYS H 4.810 . 4.810 4.203 4.167 4.290 . 0 0 "[ . 1 . 2]" 1
298 1 34 ILE H 1 35 LYS HA 5.070 . 5.070 4.823 4.662 5.080 0.010 17 0 "[ . 1 . 2]" 1
299 1 34 ILE H 2 37 LEU QD 7.050 . 7.050 3.772 3.498 4.241 . 0 0 "[ . 1 . 2]" 1
300 1 34 ILE HA 1 35 LYS H 3.270 . 3.270 2.111 2.036 2.175 . 0 0 "[ . 1 . 2]" 1
301 1 34 ILE HB 1 35 LYS H 3.260 . 3.260 3.299 3.283 3.320 0.060 6 0 "[ . 1 . 2]" 1
302 1 34 ILE HB 2 35 ILE MG 6.020 . 6.020 4.905 4.851 4.964 . 0 0 "[ . 1 . 2]" 1
303 1 34 ILE HB 2 37 LEU MD1 6.020 . 6.020 2.393 1.860 4.328 . 0 0 "[ . 1 . 2]" 1
304 1 34 ILE HB 2 37 LEU MD2 6.020 . 6.020 2.351 1.904 4.309 . 0 0 "[ . 1 . 2]" 1
305 1 34 ILE MD 1 35 LYS H 5.630 . 5.630 3.358 1.797 3.666 0.003 17 0 "[ . 1 . 2]" 1
306 1 34 ILE MD 2 37 LEU MD1 7.040 . 7.040 2.682 1.945 3.822 . 0 0 "[ . 1 . 2]" 1
307 1 34 ILE MD 2 37 LEU MD2 7.040 . 7.040 3.272 2.378 4.618 . 0 0 "[ . 1 . 2]" 1
308 1 34 ILE MD 2 37 LEU HG 6.020 . 6.020 3.788 2.013 4.917 . 0 0 "[ . 1 . 2]" 1
309 1 34 ILE MG 1 35 LYS H 5.230 . 5.230 3.563 3.294 3.946 . 0 0 "[ . 1 . 2]" 1
310 1 34 ILE MG 2 37 LEU QD 6.600 . 6.600 3.012 2.286 3.430 . 0 0 "[ . 1 . 2]" 1
311 1 34 ILE MG 2 37 LEU HG 6.020 . 6.020 4.385 3.455 4.829 . 0 0 "[ . 1 . 2]" 1
312 1 35 LYS H 1 35 LYS QE 5.780 . 5.780 3.937 3.264 4.959 . 0 0 "[ . 1 . 2]" 1
313 1 35 LYS H 1 38 THR H 5.280 . 5.280 4.414 3.911 5.082 . 0 0 "[ . 1 . 2]" 1
314 1 35 LYS H 1 38 THR HB 4.780 . 4.780 3.083 2.524 4.244 . 0 0 "[ . 1 . 2]" 1
315 1 35 LYS HA 1 36 ARG H 3.250 . 3.250 2.318 2.075 2.421 . 0 0 "[ . 1 . 2]" 1
316 1 35 LYS QB 1 36 ARG H 4.510 . 4.510 2.269 2.037 2.824 . 0 0 "[ . 1 . 2]" 1
317 1 35 LYS QB 1 37 HIS H 4.440 . 4.440 3.374 2.827 3.758 . 0 0 "[ . 1 . 2]" 1
318 1 35 LYS QB 1 38 THR H 4.580 . 4.580 3.562 2.773 4.128 . 0 0 "[ . 1 . 2]" 1
319 1 35 LYS QD 2 37 LEU MD1 6.900 . 6.900 4.199 2.661 5.147 . 0 0 "[ . 1 . 2]" 1
320 1 35 LYS QD 2 37 LEU MD2 6.900 . 6.900 4.888 2.719 5.149 . 0 0 "[ . 1 . 2]" 1
321 1 35 LYS QD 2 37 LEU HG 5.880 . 5.880 4.486 3.940 5.157 . 0 0 "[ . 1 . 2]" 1
322 1 35 LYS QE 1 36 ARG H 5.730 . 5.730 5.035 4.806 5.174 . 0 0 "[ . 1 . 2]" 1
323 1 36 ARG H 1 36 ARG QD 5.490 . 5.490 4.179 3.523 4.469 . 0 0 "[ . 1 . 2]" 1
324 1 36 ARG H 1 36 ARG QG 4.960 . 4.960 3.158 2.092 4.052 . 0 0 "[ . 1 . 2]" 1
325 1 36 ARG H 1 37 HIS H 3.910 . 3.910 2.912 2.690 3.091 . 0 0 "[ . 1 . 2]" 1
326 1 36 ARG H 1 37 HIS QB 6.010 . 6.010 4.875 4.595 5.215 . 0 0 "[ . 1 . 2]" 1
327 1 36 ARG H 1 38 THR H 4.890 . 4.890 4.219 3.950 4.682 . 0 0 "[ . 1 . 2]" 1
328 1 37 HIS H 1 37 HIS HB2 3.620 . 3.620 2.702 2.361 3.632 0.012 2 0 "[ . 1 . 2]" 1
329 1 37 HIS H 1 37 HIS HB3 3.620 . 3.620 3.024 2.367 3.635 0.015 6 0 "[ . 1 . 2]" 1
330 1 37 HIS H 1 38 THR H 3.350 . 3.350 2.533 2.167 3.110 . 0 0 "[ . 1 . 2]" 1
331 1 37 HIS H 1 38 THR HA 5.500 . 5.500 4.844 4.566 5.164 . 0 0 "[ . 1 . 2]" 1
332 1 37 HIS H 1 38 THR HB 5.500 . 5.500 4.674 3.855 5.099 . 0 0 "[ . 1 . 2]" 1
333 1 37 HIS QB 1 38 THR H 4.910 . 4.910 3.379 2.495 4.049 . 0 0 "[ . 1 . 2]" 1
334 1 37 HIS HB2 1 38 THR H 4.770 . 4.770 3.957 3.130 4.651 . 0 0 "[ . 1 . 2]" 1
335 1 37 HIS HB3 1 38 THR H 4.770 . 4.770 3.895 2.525 4.600 . 0 0 "[ . 1 . 2]" 1
336 1 38 THR H 1 38 THR HB 3.150 . 3.150 2.485 2.215 2.773 . 0 0 "[ . 1 . 2]" 1
337 1 38 THR HA 1 39 PRO HD2 3.930 . 3.930 2.234 2.092 2.773 . 0 0 "[ . 1 . 2]" 1
338 1 38 THR HA 1 39 PRO HD3 3.930 . 3.930 2.582 2.359 2.800 . 0 0 "[ . 1 . 2]" 1
339 1 38 THR MG 1 39 PRO HD2 4.950 . 4.950 2.264 2.051 2.831 . 0 0 "[ . 1 . 2]" 1
340 1 38 THR MG 1 39 PRO QD 5.160 . 5.160 2.241 2.037 2.774 . 0 0 "[ . 1 . 2]" 1
341 1 38 THR MG 1 39 PRO HD3 4.950 . 4.950 3.635 3.405 3.979 . 0 0 "[ . 1 . 2]" 1
342 1 38 THR MG 1 39 PRO QG 6.230 . 6.230 3.249 2.751 3.805 . 0 0 "[ . 1 . 2]" 1
343 1 38 THR MG 2 37 LEU QD 8.070 . 8.070 2.813 2.051 4.287 . 0 0 "[ . 1 . 2]" 1
344 1 38 THR MG 2 37 LEU HG 6.020 . 6.020 4.459 3.733 4.833 . 0 0 "[ . 1 . 2]" 1
345 1 38 THR MG 2 39 MET QB 6.770 . 6.770 2.983 1.992 4.748 . 0 0 "[ . 1 . 2]" 1
346 1 38 THR MG 2 40 ASP QB 6.900 . 6.900 4.137 2.332 4.862 . 0 0 "[ . 1 . 2]" 1
347 1 39 PRO HA 1 40 LEU H 2.950 . 2.950 2.256 2.181 2.328 . 0 0 "[ . 1 . 2]" 1
348 1 39 PRO HA 1 40 LEU QD 6.290 . 6.290 4.357 3.280 4.659 . 0 0 "[ . 1 . 2]" 1
349 1 39 PRO HA 1 41 SER H 4.270 . 4.270 4.035 3.629 4.215 . 0 0 "[ . 1 . 2]" 1
350 1 39 PRO HA 1 42 LYS H 5.420 . 5.420 4.970 4.631 5.426 0.006 17 0 "[ . 1 . 2]" 1
351 1 39 PRO HB2 1 40 LEU H 3.930 . 3.930 2.936 2.726 3.511 . 0 0 "[ . 1 . 2]" 1
352 1 39 PRO HB2 1 40 LEU QD 6.200 . 6.200 4.583 3.951 4.696 . 0 0 "[ . 1 . 2]" 1
353 1 39 PRO HB2 1 41 SER H 3.280 . 3.280 2.358 2.171 2.454 . 0 0 "[ . 1 . 2]" 1
354 1 39 PRO HB2 1 41 SER QB 4.660 . 4.660 3.341 2.431 3.780 . 0 0 "[ . 1 . 2]" 1
355 1 39 PRO HB2 1 42 LYS H 4.430 . 4.430 3.787 2.167 4.069 . 0 0 "[ . 1 . 2]" 1
356 1 39 PRO HB2 2 39 MET ME 6.020 . 6.020 4.838 4.591 5.091 . 0 0 "[ . 1 . 2]" 1
357 1 39 PRO HB3 1 40 LEU H 4.320 . 4.320 3.550 3.003 3.765 . 0 0 "[ . 1 . 2]" 1
358 1 39 PRO HB3 1 41 SER H 4.160 . 4.160 3.966 2.458 4.166 0.006 11 0 "[ . 1 . 2]" 1
359 1 39 PRO QG 1 40 LEU H 5.830 . 5.830 4.396 4.227 4.659 . 0 0 "[ . 1 . 2]" 1
360 1 39 PRO QG 1 42 LYS H 4.310 . 4.310 3.324 3.092 3.717 . 0 0 "[ . 1 . 2]" 1
361 1 39 PRO QG 2 39 MET ME 6.910 . 6.910 2.714 2.371 4.570 . 0 0 "[ . 1 . 2]" 1
362 1 40 LEU H 1 40 LEU HG 3.450 . 3.450 2.673 2.385 3.451 0.001 14 0 "[ . 1 . 2]" 1
363 1 40 LEU H 1 41 SER H 3.700 . 3.700 2.694 2.458 2.762 . 0 0 "[ . 1 . 2]" 1
364 1 40 LEU H 1 42 LYS H 5.050 . 5.050 4.411 4.293 4.866 . 0 0 "[ . 1 . 2]" 1
365 1 40 LEU H 1 43 LEU QD 7.540 . 7.540 4.261 3.937 5.127 . 0 0 "[ . 1 . 2]" 1
366 1 40 LEU H 1 71 ASP H 5.500 . 5.500 4.765 4.236 5.509 0.009 14 0 "[ . 1 . 2]" 1
367 1 40 LEU HA 1 40 LEU HG 3.730 . 3.730 3.682 3.424 3.737 0.007 16 0 "[ . 1 . 2]" 1
368 1 40 LEU HA 1 41 SER H 3.530 . 3.530 3.433 3.392 3.511 . 0 0 "[ . 1 . 2]" 1
369 1 40 LEU HA 1 42 LYS H 4.000 . 4.000 3.433 3.347 3.779 . 0 0 "[ . 1 . 2]" 1
370 1 40 LEU HA 1 43 LEU H 3.830 . 3.830 3.426 3.033 3.713 . 0 0 "[ . 1 . 2]" 1
371 1 40 LEU HA 1 43 LEU MD1 6.100 . 6.100 3.589 1.895 4.721 . 0 0 "[ . 1 . 2]" 1
372 1 40 LEU HA 1 43 LEU QD 6.310 . 6.310 2.119 1.783 3.323 0.017 18 0 "[ . 1 . 2]" 1
373 1 40 LEU HA 1 43 LEU MD2 6.100 . 6.100 2.540 1.787 5.100 0.013 18 0 "[ . 1 . 2]" 1
374 1 40 LEU HA 1 44 MET H 4.760 . 4.760 4.524 4.341 4.770 0.010 18 0 "[ . 1 . 2]" 1
375 1 40 LEU QB 1 41 SER H 4.960 . 4.960 3.851 3.741 3.907 . 0 0 "[ . 1 . 2]" 1
376 1 40 LEU QB 1 42 LYS H 6.220 . 6.220 4.797 4.729 4.985 . 0 0 "[ . 1 . 2]" 1
377 1 40 LEU QD 1 41 SER H 6.470 . 6.470 3.291 2.280 3.557 . 0 0 "[ . 1 . 2]" 1
378 1 40 LEU QD 1 43 LEU H 7.600 . 7.600 5.018 4.393 5.439 . 0 0 "[ . 1 . 2]" 1
379 1 40 LEU QD 1 43 LEU QD 7.590 . 7.590 3.053 2.376 3.312 . 0 0 "[ . 1 . 2]" 1
380 1 40 LEU QD 1 44 MET QB 6.340 . 6.340 3.280 2.923 4.105 . 0 0 "[ . 1 . 2]" 1
381 1 40 LEU QD 1 69 GLU HA 5.120 . 5.120 2.755 2.143 3.169 . 0 0 "[ . 1 . 2]" 1
382 1 40 LEU QD 1 69 GLU QB 7.020 . 7.020 4.220 3.800 4.617 . 0 0 "[ . 1 . 2]" 1
383 1 40 LEU QD 1 71 ASP H 6.350 . 6.350 3.143 2.523 3.349 . 0 0 "[ . 1 . 2]" 1
384 1 40 LEU QD 1 71 ASP QB 6.980 . 6.980 2.098 1.921 2.925 . 0 0 "[ . 1 . 2]" 1
385 1 40 LEU QD 1 72 THR H 7.260 . 7.260 3.265 2.930 4.685 . 0 0 "[ . 1 . 2]" 1
386 1 40 LEU QD 1 76 LEU H 7.600 . 7.600 5.002 4.697 5.599 . 0 0 "[ . 1 . 2]" 1
387 1 40 LEU QD 1 76 LEU QD 9.690 . 9.690 3.028 1.996 4.052 . 0 0 "[ . 1 . 2]" 1
388 1 40 LEU QD 1 84 ILE HB 7.600 . 7.600 5.376 4.795 5.566 . 0 0 "[ . 1 . 2]" 1
389 1 40 LEU HG 1 41 SER H 4.050 . 4.050 2.915 2.485 3.186 . 0 0 "[ . 1 . 2]" 1
390 1 40 LEU HG 1 43 LEU QD 6.270 . 6.270 4.329 3.728 4.532 . 0 0 "[ . 1 . 2]" 1
391 1 40 LEU HG 1 69 GLU HG2 4.870 . 4.870 4.773 4.177 4.881 0.011 6 0 "[ . 1 . 2]" 1
392 1 40 LEU HG 1 69 GLU QG 5.160 . 5.160 4.290 3.952 4.346 . 0 0 "[ . 1 . 2]" 1
393 1 40 LEU HG 1 69 GLU HG3 4.870 . 4.870 4.873 4.817 4.880 0.010 16 0 "[ . 1 . 2]" 1
394 1 40 LEU HG 1 71 ASP H 5.230 . 5.230 3.939 3.212 5.230 . 0 0 "[ . 1 . 2]" 1
395 1 41 SER H 1 41 SER QB 3.670 . 3.670 2.410 2.127 2.602 . 0 0 "[ . 1 . 2]" 1
396 1 41 SER H 1 42 LYS H 3.610 . 3.610 2.957 2.825 3.214 . 0 0 "[ . 1 . 2]" 1
397 1 41 SER H 1 43 LEU H 5.000 . 5.000 4.722 4.297 5.002 0.002 2 0 "[ . 1 . 2]" 1
398 1 41 SER QB 1 69 GLU H 6.100 . 6.100 5.013 4.802 5.264 . 0 0 "[ . 1 . 2]" 1
399 1 41 SER QB 1 69 GLU QB 5.640 . 5.640 2.210 2.005 2.492 . 0 0 "[ . 1 . 2]" 1
400 1 41 SER QB 1 69 GLU HG2 5.300 . 5.300 2.673 2.259 3.205 . 0 0 "[ . 1 . 2]" 1
401 1 41 SER QB 1 69 GLU QG 5.400 . 5.400 2.633 2.244 3.125 . 0 0 "[ . 1 . 2]" 1
402 1 41 SER QB 1 69 GLU HG3 5.300 . 5.300 4.012 3.726 4.401 . 0 0 "[ . 1 . 2]" 1
403 1 42 LYS H 1 42 LYS HB2 3.640 . 3.640 2.475 2.143 2.694 . 0 0 "[ . 1 . 2]" 1
404 1 42 LYS H 1 42 LYS QB 3.840 . 3.840 2.167 1.872 2.388 . 0 0 "[ . 1 . 2]" 1
405 1 42 LYS H 1 42 LYS HB3 3.640 . 3.640 2.485 1.996 3.600 . 0 0 "[ . 1 . 2]" 1
406 1 42 LYS H 1 42 LYS QE 5.990 . 5.990 5.028 4.130 5.419 . 0 0 "[ . 1 . 2]" 1
407 1 42 LYS H 1 43 LEU H 3.470 . 3.470 2.483 2.266 2.682 . 0 0 "[ . 1 . 2]" 1
408 1 42 LYS H 1 43 LEU HA 5.500 . 5.500 5.075 4.900 5.217 . 0 0 "[ . 1 . 2]" 1
409 1 42 LYS H 1 43 LEU QB 6.220 . 6.220 4.771 3.821 5.135 . 0 0 "[ . 1 . 2]" 1
410 1 42 LYS H 1 44 MET H 4.930 . 4.930 3.811 3.466 4.072 . 0 0 "[ . 1 . 2]" 1
411 1 42 LYS H 2 37 LEU QD 7.050 . 7.050 4.747 4.142 5.274 . 0 0 "[ . 1 . 2]" 1
412 1 42 LYS QB 1 43 LEU H 4.190 . 4.190 2.541 2.364 2.721 . 0 0 "[ . 1 . 2]" 1
413 1 42 LYS QB 1 43 LEU QB 6.580 . 6.580 4.118 3.553 4.680 . 0 0 "[ . 1 . 2]" 1
414 1 42 LYS QB 2 37 LEU QD 7.100 . 7.100 2.913 1.976 3.574 . 0 0 "[ . 1 . 2]" 1
415 1 42 LYS HB2 1 43 LEU H 3.900 . 3.900 3.735 2.391 3.906 0.006 18 0 "[ . 1 . 2]" 1
416 1 42 LYS HB3 1 43 LEU H 3.900 . 3.900 2.689 2.401 3.719 . 0 0 "[ . 1 . 2]" 1
417 1 42 LYS QE 1 43 LEU H 6.130 . 6.130 4.968 4.628 5.496 . 0 0 "[ . 1 . 2]" 1
418 1 42 LYS QE 2 37 LEU QD 6.410 . 6.410 2.825 1.932 4.198 . 0 0 "[ . 1 . 2]" 1
419 1 42 LYS QE 2 37 LEU HG 5.880 . 5.880 4.729 3.417 5.285 . 0 0 "[ . 1 . 2]" 1
420 1 42 LYS QG 2 37 LEU QD 7.810 . 7.810 2.166 1.845 3.583 . 0 0 "[ . 1 . 2]" 1
421 1 42 LYS QG 2 37 LEU HG 5.760 . 5.760 4.044 2.249 4.916 . 0 0 "[ . 1 . 2]" 1
422 1 43 LEU H 1 43 LEU HB2 3.730 . 3.730 3.499 2.529 3.733 0.003 3 0 "[ . 1 . 2]" 1
423 1 43 LEU H 1 43 LEU HB3 3.730 . 3.730 2.722 1.977 3.597 . 0 0 "[ . 1 . 2]" 1
424 1 43 LEU H 1 43 LEU HG 4.330 . 4.330 3.267 2.562 4.336 0.006 17 0 "[ . 1 . 2]" 1
425 1 43 LEU H 1 44 MET H 3.420 . 3.420 2.649 2.597 2.759 . 0 0 "[ . 1 . 2]" 1
426 1 43 LEU H 1 44 MET HA 5.500 . 5.500 5.199 5.147 5.285 . 0 0 "[ . 1 . 2]" 1
427 1 43 LEU H 1 44 MET QB 5.610 . 5.610 4.358 4.287 4.655 . 0 0 "[ . 1 . 2]" 1
428 1 43 LEU H 1 45 LYS H 4.610 . 4.610 4.341 4.153 4.483 . 0 0 "[ . 1 . 2]" 1
429 1 43 LEU HA 1 43 LEU HG 4.030 . 4.030 3.716 3.023 4.049 0.019 16 0 "[ . 1 . 2]" 1
430 1 43 LEU HA 1 45 LYS H 4.410 . 4.410 4.404 4.329 4.418 0.008 19 0 "[ . 1 . 2]" 1
431 1 43 LEU HA 1 46 ALA H 4.190 . 4.190 3.142 2.927 3.371 . 0 0 "[ . 1 . 2]" 1
432 1 43 LEU HA 1 46 ALA MB 4.620 . 4.620 2.239 2.052 2.426 . 0 0 "[ . 1 . 2]" 1
433 1 43 LEU HA 2 37 LEU MD1 6.020 . 6.020 3.914 2.338 4.973 . 0 0 "[ . 1 . 2]" 1
434 1 43 LEU HA 2 37 LEU MD2 6.020 . 6.020 3.626 2.548 5.037 . 0 0 "[ . 1 . 2]" 1
435 1 43 LEU QB 1 44 MET H 4.960 . 4.960 3.481 2.340 3.778 . 0 0 "[ . 1 . 2]" 1
436 1 43 LEU QB 1 45 LYS H 6.220 . 6.220 5.278 4.699 5.390 . 0 0 "[ . 1 . 2]" 1
437 1 43 LEU QB 1 46 ALA MB 6.750 . 6.750 3.511 3.122 3.963 . 0 0 "[ . 1 . 2]" 1
438 1 43 LEU QB 2 37 LEU QD 7.320 . 7.320 2.947 2.145 4.497 . 0 0 "[ . 1 . 2]" 1
439 1 43 LEU HB2 1 46 ALA MB 6.520 . 6.520 3.800 3.337 4.840 . 0 0 "[ . 1 . 2]" 1
440 1 43 LEU HB2 2 37 LEU MD1 7.780 . 7.780 4.815 3.648 5.869 . 0 0 "[ . 1 . 2]" 1
441 1 43 LEU HB2 2 37 LEU MD2 7.780 . 7.780 4.282 3.113 6.345 . 0 0 "[ . 1 . 2]" 1
442 1 43 LEU HB3 1 46 ALA MB 6.520 . 6.520 4.183 3.597 4.960 . 0 0 "[ . 1 . 2]" 1
443 1 43 LEU HB3 2 37 LEU MD1 7.780 . 7.780 3.938 2.301 5.808 . 0 0 "[ . 1 . 2]" 1
444 1 43 LEU HB3 2 37 LEU MD2 7.780 . 7.780 3.654 2.272 5.769 . 0 0 "[ . 1 . 2]" 1
445 1 43 LEU QD 1 44 MET H 5.450 . 5.450 2.843 2.054 3.440 . 0 0 "[ . 1 . 2]" 1
446 1 43 LEU QD 1 45 LYS H 6.930 . 6.930 4.874 4.365 5.201 . 0 0 "[ . 1 . 2]" 1
447 1 43 LEU QD 1 46 ALA H 7.540 . 7.540 5.065 4.460 5.359 . 0 0 "[ . 1 . 2]" 1
448 1 43 LEU QD 1 84 ILE QG 7.670 . 7.670 3.545 2.499 4.411 . 0 0 "[ . 1 . 2]" 1
449 1 43 LEU QD 2 37 LEU QD 8.610 . 8.610 3.371 2.032 4.448 . 0 0 "[ . 1 . 2]" 1
450 1 43 LEU MD1 1 44 MET H 5.410 . 5.410 3.615 2.617 4.586 . 0 0 "[ . 1 . 2]" 1
451 1 43 LEU MD2 1 44 MET H 5.410 . 5.410 3.126 2.081 4.046 . 0 0 "[ . 1 . 2]" 1
452 1 44 MET H 1 44 MET QG 4.990 . 4.990 3.883 2.199 4.026 . 0 0 "[ . 1 . 2]" 1
453 1 44 MET H 1 46 ALA H 4.990 . 4.990 4.149 4.059 4.230 . 0 0 "[ . 1 . 2]" 1
454 1 44 MET HA 1 46 ALA H 4.400 . 4.400 4.407 4.403 4.412 0.012 19 0 "[ . 1 . 2]" 1
455 1 44 MET HA 1 47 TYR H 4.290 . 4.290 3.396 3.232 3.566 . 0 0 "[ . 1 . 2]" 1
456 1 44 MET QB 1 45 LYS H 4.510 . 4.510 2.579 2.474 2.675 . 0 0 "[ . 1 . 2]" 1
457 1 44 MET QB 1 69 GLU QG 6.350 . 6.350 3.627 2.803 3.998 . 0 0 "[ . 1 . 2]" 1
458 1 44 MET QG 1 69 GLU QG 6.350 . 6.350 4.378 2.825 4.988 . 0 0 "[ . 1 . 2]" 1
459 1 45 LYS H 1 45 LYS QB 3.710 . 3.710 2.168 1.978 2.287 . 0 0 "[ . 1 . 2]" 1
460 1 45 LYS H 1 45 LYS QD 5.640 . 5.640 4.579 4.158 4.765 . 0 0 "[ . 1 . 2]" 1
461 1 45 LYS H 1 46 ALA H 3.410 . 3.410 2.694 2.560 2.789 . 0 0 "[ . 1 . 2]" 1
462 1 45 LYS H 1 47 TYR H 4.870 . 4.870 4.217 4.078 4.329 . 0 0 "[ . 1 . 2]" 1
463 1 45 LYS HA 1 45 LYS QD 5.050 . 5.050 3.493 2.227 3.990 . 0 0 "[ . 1 . 2]" 1
464 1 45 LYS HA 1 48 CYS QB 4.950 . 4.950 2.808 2.524 3.049 . 0 0 "[ . 1 . 2]" 1
465 1 45 LYS QB 1 46 ALA H 4.110 . 4.110 2.657 2.415 2.886 . 0 0 "[ . 1 . 2]" 1
466 1 45 LYS QB 1 47 TYR H 6.380 . 6.380 4.856 4.755 4.947 . 0 0 "[ . 1 . 2]" 1
467 1 45 LYS QB 1 49 GLU QG 6.400 . 6.400 4.568 4.093 4.938 . 0 0 "[ . 1 . 2]" 1
468 1 45 LYS QD 1 49 GLU QG 6.330 . 6.330 3.915 2.219 4.903 . 0 0 "[ . 1 . 2]" 1
469 1 45 LYS QE 1 46 ALA H 5.520 . 5.520 4.510 3.263 4.930 . 0 0 "[ . 1 . 2]" 1
470 1 45 LYS QG 1 46 ALA H 5.320 . 5.320 3.946 3.262 4.472 . 0 0 "[ . 1 . 2]" 1
471 1 45 LYS QG 1 49 GLU QG 6.260 . 6.260 3.122 2.570 4.583 . 0 0 "[ . 1 . 2]" 1
472 1 46 ALA H 1 47 TYR H 3.510 . 3.510 2.732 2.676 2.837 . 0 0 "[ . 1 . 2]" 1
473 1 46 ALA HA 1 48 CYS H 5.030 . 5.030 4.323 4.037 4.434 . 0 0 "[ . 1 . 2]" 1
474 1 46 ALA HA 1 49 GLU H 3.710 . 3.710 3.167 2.812 3.298 . 0 0 "[ . 1 . 2]" 1
475 1 46 ALA HA 1 49 GLU HB2 3.450 . 3.450 2.565 2.346 2.752 . 0 0 "[ . 1 . 2]" 1
476 1 46 ALA HA 1 49 GLU HB3 4.360 . 4.360 4.251 3.964 4.364 0.004 12 0 "[ . 1 . 2]" 1
477 1 46 ALA HA 1 49 GLU QG 5.410 . 5.410 3.257 2.485 3.701 . 0 0 "[ . 1 . 2]" 1
478 1 46 ALA HA 1 50 ARG H 4.420 . 4.420 3.809 3.497 4.046 . 0 0 "[ . 1 . 2]" 1
479 1 46 ALA MB 1 47 TYR H 4.370 . 4.370 2.664 2.564 2.772 . 0 0 "[ . 1 . 2]" 1
480 1 46 ALA MB 1 48 CYS H 6.090 . 6.090 4.639 4.501 4.724 . 0 0 "[ . 1 . 2]" 1
481 1 46 ALA MB 1 49 GLU HB3 6.520 . 6.520 5.287 5.002 5.382 . 0 0 "[ . 1 . 2]" 1
482 1 46 ALA MB 2 37 LEU QD 6.600 . 6.600 3.060 2.496 3.822 . 0 0 "[ . 1 . 2]" 1
483 1 47 TYR H 1 48 CYS H 3.460 . 3.460 2.745 2.670 2.798 . 0 0 "[ . 1 . 2]" 1
484 1 47 TYR H 1 49 GLU H 5.140 . 5.140 4.227 4.058 4.322 . 0 0 "[ . 1 . 2]" 1
485 1 47 TYR H 1 49 GLU HB2 5.410 . 5.410 5.241 4.986 5.411 0.001 17 0 "[ . 1 . 2]" 1
486 1 47 TYR H 1 50 ARG QB 6.190 . 6.190 5.013 4.781 5.179 . 0 0 "[ . 1 . 2]" 1
487 1 47 TYR QB 1 48 CYS H 4.320 . 4.320 2.489 2.348 2.661 . 0 0 "[ . 1 . 2]" 1
488 1 48 CYS H 1 48 CYS HB2 4.180 . 4.180 2.516 2.449 2.588 . 0 0 "[ . 1 . 2]" 1
489 1 48 CYS H 1 48 CYS HB3 4.180 . 4.180 3.542 2.420 3.641 . 0 0 "[ . 1 . 2]" 1
490 1 48 CYS H 1 49 GLU H 3.390 . 3.390 2.807 2.673 2.938 . 0 0 "[ . 1 . 2]" 1
491 1 48 CYS H 1 49 GLU HB2 5.070 . 5.070 4.906 4.749 5.071 0.001 3 0 "[ . 1 . 2]" 1
492 1 48 CYS H 1 50 ARG QB 6.380 . 6.380 5.483 5.392 5.687 . 0 0 "[ . 1 . 2]" 1
493 1 48 CYS H 1 53 LEU QB 6.380 . 6.380 4.470 4.104 5.470 . 0 0 "[ . 1 . 2]" 1
494 1 48 CYS H 1 53 LEU HG 5.500 . 5.500 5.496 5.431 5.509 0.009 12 0 "[ . 1 . 2]" 1
495 1 48 CYS HA 1 50 ARG H 4.870 . 4.870 4.812 4.604 4.874 0.004 17 0 "[ . 1 . 2]" 1
496 1 48 CYS HA 1 53 LEU QB 5.360 . 5.360 2.683 2.095 3.447 . 0 0 "[ . 1 . 2]" 1
497 1 48 CYS HA 1 53 LEU QD 6.090 . 6.090 3.747 3.135 4.391 . 0 0 "[ . 1 . 2]" 1
498 1 48 CYS QB 1 49 GLU H 4.220 . 4.220 2.632 2.529 3.040 . 0 0 "[ . 1 . 2]" 1
499 1 48 CYS QB 1 53 LEU H 4.960 . 4.960 3.931 3.265 4.342 . 0 0 "[ . 1 . 2]" 1
500 1 49 GLU H 1 49 GLU HB2 2.950 . 2.950 2.406 2.342 2.527 . 0 0 "[ . 1 . 2]" 1
501 1 49 GLU H 1 49 GLU HB3 3.690 . 3.690 3.568 3.543 3.632 . 0 0 "[ . 1 . 2]" 1
502 1 49 GLU H 1 49 GLU HG2 4.140 . 4.140 3.357 2.221 3.622 . 0 0 "[ . 1 . 2]" 1
503 1 49 GLU H 1 49 GLU QG 4.310 . 4.310 2.326 2.198 2.474 . 0 0 "[ . 1 . 2]" 1
504 1 49 GLU H 1 49 GLU HG3 4.140 . 4.140 2.489 2.282 3.494 . 0 0 "[ . 1 . 2]" 1
505 1 49 GLU H 1 50 ARG H 3.450 . 3.450 2.845 2.774 2.985 . 0 0 "[ . 1 . 2]" 1
506 1 49 GLU H 1 50 ARG QB 5.560 . 5.560 4.719 4.580 4.799 . 0 0 "[ . 1 . 2]" 1
507 1 49 GLU HA 1 49 GLU HG2 3.810 . 3.810 2.552 2.401 3.008 . 0 0 "[ . 1 . 2]" 1
508 1 49 GLU HA 1 49 GLU HG3 3.810 . 3.810 3.184 2.883 3.812 0.002 13 0 "[ . 1 . 2]" 1
509 1 49 GLU HB2 1 50 ARG H 3.340 . 3.340 2.523 2.335 2.627 . 0 0 "[ . 1 . 2]" 1
510 1 49 GLU HB2 1 50 ARG QG 5.370 . 5.370 4.081 3.249 4.811 . 0 0 "[ . 1 . 2]" 1
511 1 49 GLU HB3 1 50 ARG H 3.790 . 3.790 3.456 3.323 3.608 . 0 0 "[ . 1 . 2]" 1
512 1 49 GLU HB3 1 50 ARG QG 6.380 . 6.380 4.356 3.676 5.012 . 0 0 "[ . 1 . 2]" 1
513 1 49 GLU QG 1 50 ARG H 5.720 . 5.720 4.197 4.104 4.286 . 0 0 "[ . 1 . 2]" 1
514 1 50 ARG H 1 50 ARG QB 3.780 . 3.780 2.220 2.109 2.300 . 0 0 "[ . 1 . 2]" 1
515 1 50 ARG H 1 50 ARG QD 5.560 . 5.560 4.184 2.221 4.827 . 0 0 "[ . 1 . 2]" 1
516 1 50 ARG H 1 50 ARG QG 4.390 . 4.390 3.164 2.706 3.717 . 0 0 "[ . 1 . 2]" 1
517 1 50 ARG H 1 51 GLN QB 5.810 . 5.810 4.462 4.207 4.727 . 0 0 "[ . 1 . 2]" 1
518 1 50 ARG HA 1 50 ARG QD 4.520 . 4.520 3.580 2.861 4.053 . 0 0 "[ . 1 . 2]" 1
519 1 50 ARG HA 2 35 ILE MD 6.020 . 6.020 4.573 4.215 4.781 . 0 0 "[ . 1 . 2]" 1
520 1 50 ARG QB 1 51 GLN H 4.970 . 4.970 2.820 2.673 3.018 . 0 0 "[ . 1 . 2]" 1
521 1 50 ARG QB 2 34 VAL MG1 6.900 . 6.900 4.313 3.240 5.059 . 0 0 "[ . 1 . 2]" 1
522 1 50 ARG QB 2 34 VAL MG2 6.900 . 6.900 4.130 3.262 5.060 . 0 0 "[ . 1 . 2]" 1
523 1 50 ARG QD 2 35 ILE MD 6.900 . 6.900 2.242 2.054 2.670 . 0 0 "[ . 1 . 2]" 1
524 1 50 ARG QD 2 35 ILE QG 6.640 . 6.640 2.323 1.956 2.946 . 0 0 "[ . 1 . 2]" 1
525 1 50 ARG QD 2 35 ILE MG 6.900 . 6.900 4.567 3.449 5.178 . 0 0 "[ . 1 . 2]" 1
526 1 50 ARG QG 2 35 ILE MD 6.900 . 6.900 2.404 2.093 2.969 . 0 0 "[ . 1 . 2]" 1
527 1 50 ARG QG 2 35 ILE MG 6.900 . 6.900 4.672 4.004 4.896 . 0 0 "[ . 1 . 2]" 1
528 1 51 GLN H 1 51 GLN QE 5.480 . 5.480 4.761 4.427 4.897 . 0 0 "[ . 1 . 2]" 1
529 1 51 GLN H 1 51 GLN QG 4.650 . 4.650 3.106 2.642 3.617 . 0 0 "[ . 1 . 2]" 1
530 1 51 GLN H 1 52 GLY QA 5.730 . 5.730 4.185 4.043 4.317 . 0 0 "[ . 1 . 2]" 1
531 1 51 GLN H 1 53 LEU QD 6.690 . 6.690 4.448 3.097 4.787 . 0 0 "[ . 1 . 2]" 1
532 1 51 GLN HA 1 53 LEU H 5.500 . 5.500 5.019 4.566 5.501 0.001 1 0 "[ . 1 . 2]" 1
533 1 51 GLN HA 1 53 LEU QD 6.660 . 6.660 4.393 2.278 4.629 . 0 0 "[ . 1 . 2]" 1
534 1 51 GLN QB 1 52 GLY H 4.510 . 4.510 3.494 2.981 3.640 . 0 0 "[ . 1 . 2]" 1
535 1 51 GLN QB 1 52 GLY QA 6.500 . 6.500 4.345 3.626 4.464 . 0 0 "[ . 1 . 2]" 1
536 1 51 GLN QB 1 53 LEU H 5.140 . 5.140 3.972 3.527 4.626 . 0 0 "[ . 1 . 2]" 1
537 1 51 GLN QB 1 53 LEU QD 6.390 . 6.390 2.853 2.596 3.721 . 0 0 "[ . 1 . 2]" 1
538 1 51 GLN HB2 1 52 GLY H 4.270 . 4.270 3.750 3.135 3.968 . 0 0 "[ . 1 . 2]" 1
539 1 51 GLN HB2 1 53 LEU QD 6.130 . 6.130 3.519 3.128 4.295 . 0 0 "[ . 1 . 2]" 1
540 1 51 GLN HB2 2 35 ILE MD 6.020 . 6.020 5.010 4.781 5.057 . 0 0 "[ . 1 . 2]" 1
541 1 51 GLN HB3 1 52 GLY H 4.270 . 4.270 4.193 3.729 4.276 0.006 13 0 "[ . 1 . 2]" 1
542 1 51 GLN HB3 1 53 LEU QD 6.130 . 6.130 3.039 2.725 4.079 . 0 0 "[ . 1 . 2]" 1
543 1 51 GLN QE 1 53 LEU QD 8.150 . 8.150 4.022 2.688 5.256 . 0 0 "[ . 1 . 2]" 1
544 1 51 GLN QG 1 52 GLY H 5.450 . 5.450 4.754 4.575 4.865 . 0 0 "[ . 1 . 2]" 1
545 1 51 GLN QG 1 53 LEU QD 6.370 . 6.370 4.069 3.905 4.164 . 0 0 "[ . 1 . 2]" 1
546 1 51 GLN QG 2 34 VAL MG1 6.900 . 6.900 4.673 4.114 5.031 . 0 0 "[ . 1 . 2]" 1
547 1 51 GLN QG 2 34 VAL MG2 6.900 . 6.900 4.499 3.977 5.032 . 0 0 "[ . 1 . 2]" 1
548 1 52 GLY H 1 53 LEU H 3.210 . 3.210 2.752 1.943 2.881 . 0 0 "[ . 1 . 2]" 1
549 1 52 GLY H 1 53 LEU HA 5.420 . 5.420 5.256 3.996 5.400 . 0 0 "[ . 1 . 2]" 1
550 1 52 GLY H 1 53 LEU QD 6.840 . 6.840 4.277 3.316 4.498 . 0 0 "[ . 1 . 2]" 1
551 1 52 GLY H 1 53 LEU HG 4.420 . 4.420 3.894 2.601 4.313 . 0 0 "[ . 1 . 2]" 1
552 1 52 GLY QA 1 53 LEU H 4.160 . 4.160 2.807 2.502 2.975 . 0 0 "[ . 1 . 2]" 1
553 1 52 GLY QA 1 53 LEU QD 7.350 . 7.350 3.547 3.072 3.809 . 0 0 "[ . 1 . 2]" 1
554 1 52 GLY QA 1 53 LEU HG 6.010 . 6.010 4.090 3.726 4.525 . 0 0 "[ . 1 . 2]" 1
555 1 53 LEU H 1 53 LEU HG 3.080 . 3.080 2.272 1.899 2.676 . 0 0 "[ . 1 . 2]" 1
556 1 53 LEU H 1 54 SER H 4.640 . 4.640 4.546 3.492 4.648 0.008 9 0 "[ . 1 . 2]" 1
557 1 53 LEU HA 1 54 SER H 2.920 . 2.920 2.444 2.339 2.963 0.043 12 0 "[ . 1 . 2]" 1
558 1 53 LEU QB 1 54 SER H 4.200 . 4.200 2.563 2.296 3.573 . 0 0 "[ . 1 . 2]" 1
559 1 53 LEU QB 1 55 MET H 6.380 . 6.380 5.056 4.828 5.744 . 0 0 "[ . 1 . 2]" 1
560 1 53 LEU QD 1 54 SER H 6.000 . 6.000 3.661 3.425 3.836 . 0 0 "[ . 1 . 2]" 1
561 1 53 LEU QD 1 57 GLN HB2 7.600 . 7.600 5.059 4.527 5.416 . 0 0 "[ . 1 . 2]" 1
562 1 54 SER H 1 54 SER HB2 3.640 . 3.640 2.426 2.342 2.759 . 0 0 "[ . 1 . 2]" 1
563 1 54 SER H 1 54 SER QB 3.910 . 3.910 2.365 2.310 2.437 . 0 0 "[ . 1 . 2]" 1
564 1 54 SER H 1 54 SER HB3 3.640 . 3.640 3.539 2.479 3.667 0.027 12 0 "[ . 1 . 2]" 1
565 1 54 SER H 1 57 GLN H 4.740 . 4.740 4.388 4.043 4.558 . 0 0 "[ . 1 . 2]" 1
566 1 54 SER H 1 57 GLN HB2 4.180 . 4.180 3.147 2.936 3.376 . 0 0 "[ . 1 . 2]" 1
567 1 54 SER H 1 57 GLN HB3 4.450 . 4.450 4.457 4.451 4.461 0.011 20 0 "[ . 1 . 2]" 1
568 1 54 SER H 1 58 ILE MD 6.060 . 6.060 4.400 3.894 4.826 . 0 0 "[ . 1 . 2]" 1
569 1 54 SER QB 1 55 MET H 4.680 . 4.680 3.178 2.923 3.744 . 0 0 "[ . 1 . 2]" 1
570 1 54 SER QB 1 57 GLN H 4.880 . 4.880 3.009 2.265 3.211 . 0 0 "[ . 1 . 2]" 1
571 1 54 SER QB 1 57 GLN QG 5.820 . 5.820 2.467 2.018 3.096 . 0 0 "[ . 1 . 2]" 1
572 1 54 SER QB 1 58 ILE H 5.650 . 5.650 4.609 3.831 4.831 . 0 0 "[ . 1 . 2]" 1
573 1 54 SER HB2 1 55 MET H 4.550 . 4.550 4.272 4.122 4.424 . 0 0 "[ . 1 . 2]" 1
574 1 54 SER HB2 1 56 ARG H 4.490 . 4.490 4.287 3.843 4.493 0.003 11 0 "[ . 1 . 2]" 1
575 1 54 SER HB2 1 57 GLN H 4.690 . 4.690 3.519 2.811 4.455 . 0 0 "[ . 1 . 2]" 1
576 1 54 SER HB2 1 58 ILE H 5.500 . 5.500 5.161 4.643 5.515 0.015 11 0 "[ . 1 . 2]" 1
577 1 54 SER HB3 1 55 MET H 4.550 . 4.550 3.291 2.990 4.150 . 0 0 "[ . 1 . 2]" 1
578 1 54 SER HB3 1 56 ARG H 4.490 . 4.490 3.109 2.444 3.620 . 0 0 "[ . 1 . 2]" 1
579 1 54 SER HB3 1 57 GLN H 4.690 . 4.690 3.354 2.277 3.642 . 0 0 "[ . 1 . 2]" 1
580 1 54 SER HB3 1 58 ILE H 5.500 . 5.500 5.305 3.908 5.506 0.006 4 0 "[ . 1 . 2]" 1
581 1 55 MET H 1 55 MET QG 4.460 . 4.460 2.719 1.987 3.963 . 0 0 "[ . 1 . 2]" 1
582 1 55 MET H 1 56 ARG H 3.940 . 3.940 2.825 2.650 3.033 . 0 0 "[ . 1 . 2]" 1
583 1 55 MET H 1 56 ARG QD 6.240 . 6.240 5.442 5.254 5.572 . 0 0 "[ . 1 . 2]" 1
584 1 55 MET H 1 58 ILE H 5.390 . 5.390 5.321 5.002 5.400 0.010 12 0 "[ . 1 . 2]" 1
585 1 55 MET HA 1 57 GLN H 4.050 . 4.050 3.766 3.488 3.980 . 0 0 "[ . 1 . 2]" 1
586 1 55 MET HA 1 58 ILE H 4.030 . 4.030 3.657 3.219 4.034 0.004 8 0 "[ . 1 . 2]" 1
587 1 55 MET HA 1 58 ILE MD 4.940 . 4.940 2.974 2.264 3.635 . 0 0 "[ . 1 . 2]" 1
588 1 55 MET HA 1 58 ILE QG 4.770 . 4.770 2.663 2.194 4.056 . 0 0 "[ . 1 . 2]" 1
589 1 55 MET QB 1 56 ARG H 4.570 . 4.570 3.412 2.558 3.841 . 0 0 "[ . 1 . 2]" 1
590 1 55 MET QG 1 56 ARG QG 6.070 . 6.070 4.240 3.510 4.677 . 0 0 "[ . 1 . 2]" 1
591 1 56 ARG H 1 56 ARG HB2 3.890 . 3.890 3.605 3.524 3.703 . 0 0 "[ . 1 . 2]" 1
592 1 56 ARG H 1 56 ARG HB3 3.890 . 3.890 2.647 2.428 2.891 . 0 0 "[ . 1 . 2]" 1
593 1 56 ARG H 1 57 GLN H 3.410 . 3.410 2.555 2.445 2.700 . 0 0 "[ . 1 . 2]" 1
594 1 56 ARG H 1 57 GLN HB2 4.650 . 4.650 4.447 4.230 4.651 0.001 5 0 "[ . 1 . 2]" 1
595 1 56 ARG H 1 57 GLN QE 6.200 . 6.200 5.202 4.655 5.501 . 0 0 "[ . 1 . 2]" 1
596 1 56 ARG H 1 57 GLN QG 5.860 . 5.860 4.064 3.578 5.278 . 0 0 "[ . 1 . 2]" 1
597 1 56 ARG H 1 58 ILE H 4.580 . 4.580 4.219 4.049 4.349 . 0 0 "[ . 1 . 2]" 1
598 1 56 ARG HA 1 56 ARG QD 5.140 . 5.140 4.446 4.307 4.566 . 0 0 "[ . 1 . 2]" 1
599 1 56 ARG HA 1 58 ILE H 4.580 . 4.580 3.951 3.527 4.583 0.003 20 0 "[ . 1 . 2]" 1
600 1 56 ARG HB2 1 57 GLN H 4.710 . 4.710 4.380 4.244 4.516 . 0 0 "[ . 1 . 2]" 1
601 1 56 ARG HB3 1 57 GLN H 4.710 . 4.710 4.402 4.222 4.546 . 0 0 "[ . 1 . 2]" 1
602 1 56 ARG QG 1 57 GLN HA 4.890 . 4.890 3.855 3.451 4.376 . 0 0 "[ . 1 . 2]" 1
603 1 56 ARG QG 1 57 GLN HB2 5.790 . 5.790 4.181 3.617 4.584 . 0 0 "[ . 1 . 2]" 1
604 1 56 ARG QG 1 57 GLN HG2 5.250 . 5.250 3.419 2.205 4.671 . 0 0 "[ . 1 . 2]" 1
605 1 56 ARG QG 1 57 GLN QG 5.590 . 5.590 2.628 2.109 4.020 . 0 0 "[ . 1 . 2]" 1
606 1 56 ARG QG 1 57 GLN HG3 5.250 . 5.250 3.225 2.124 4.522 . 0 0 "[ . 1 . 2]" 1
607 1 57 GLN H 1 57 GLN HB2 3.210 . 3.210 2.294 2.103 2.438 . 0 0 "[ . 1 . 2]" 1
608 1 57 GLN H 1 57 GLN HB3 3.850 . 3.850 3.561 3.443 3.667 . 0 0 "[ . 1 . 2]" 1
609 1 57 GLN H 1 57 GLN QE 6.170 . 6.170 4.499 3.502 5.014 . 0 0 "[ . 1 . 2]" 1
610 1 57 GLN H 1 58 ILE H 3.050 . 3.050 2.220 2.069 2.381 . 0 0 "[ . 1 . 2]" 1
611 1 57 GLN H 1 58 ILE HA 5.030 . 5.030 4.885 4.705 5.029 . 0 0 "[ . 1 . 2]" 1
612 1 57 GLN H 1 58 ILE MD 6.350 . 6.350 4.832 3.710 5.092 . 0 0 "[ . 1 . 2]" 1
613 1 57 GLN H 1 58 ILE QG 5.140 . 5.140 3.405 3.196 3.803 . 0 0 "[ . 1 . 2]" 1
614 1 57 GLN HA 1 57 GLN HG2 3.940 . 3.940 2.760 2.378 3.731 . 0 0 "[ . 1 . 2]" 1
615 1 57 GLN HA 1 57 GLN HG3 3.940 . 3.940 3.194 2.536 3.840 . 0 0 "[ . 1 . 2]" 1
616 1 57 GLN HA 1 58 ILE MG 5.870 . 5.870 4.503 4.237 4.665 . 0 0 "[ . 1 . 2]" 1
617 1 57 GLN HB2 1 58 ILE H 3.620 . 3.620 3.251 2.761 3.481 . 0 0 "[ . 1 . 2]" 1
618 1 57 GLN HB2 1 58 ILE MG 5.430 . 5.430 3.249 2.736 3.753 . 0 0 "[ . 1 . 2]" 1
619 1 58 ILE H 1 58 ILE HB 3.950 . 3.950 3.734 3.637 3.803 . 0 0 "[ . 1 . 2]" 1
620 1 58 ILE H 1 58 ILE QG 4.050 . 4.050 2.142 1.958 2.242 . 0 0 "[ . 1 . 2]" 1
621 1 58 ILE H 1 58 ILE MG 4.530 . 4.530 2.954 2.541 3.299 . 0 0 "[ . 1 . 2]" 1
622 1 58 ILE H 1 59 ARG H 4.650 . 4.650 4.483 4.423 4.601 . 0 0 "[ . 1 . 2]" 1
623 1 58 ILE H 1 59 ARG HA 5.230 . 5.230 5.026 4.908 5.231 0.001 11 0 "[ . 1 . 2]" 1
624 1 58 ILE H 1 59 ARG QG 5.880 . 5.880 4.451 4.192 4.676 . 0 0 "[ . 1 . 2]" 1
625 1 58 ILE H 1 89 GLN H 5.500 . 5.500 4.717 4.460 5.047 . 0 0 "[ . 1 . 2]" 1
626 1 58 ILE H 1 89 GLN QB 6.380 . 6.380 4.762 4.175 5.362 . 0 0 "[ . 1 . 2]" 1
627 1 58 ILE HA 1 59 ARG H 2.940 . 2.940 2.237 2.138 2.309 . 0 0 "[ . 1 . 2]" 1
628 1 58 ILE HA 1 89 GLN H 3.460 . 3.460 3.170 2.642 3.460 . 0 0 "[ . 1 . 2]" 1
629 1 58 ILE HB 1 59 ARG H 3.230 . 3.230 2.885 2.458 3.104 . 0 0 "[ . 1 . 2]" 1
630 1 58 ILE HB 1 86 VAL MG1 5.380 . 5.380 2.496 2.014 4.327 . 0 0 "[ . 1 . 2]" 1
631 1 58 ILE HB 1 86 VAL QG 5.750 . 5.750 2.210 2.006 2.986 . 0 0 "[ . 1 . 2]" 1
632 1 58 ILE HB 1 86 VAL MG2 5.380 . 5.380 3.632 2.014 4.245 . 0 0 "[ . 1 . 2]" 1
633 1 58 ILE QG 1 59 ARG H 5.310 . 5.310 4.124 3.715 4.794 . 0 0 "[ . 1 . 2]" 1
634 1 58 ILE MG 1 59 ARG H 4.800 . 4.800 3.677 3.225 3.875 . 0 0 "[ . 1 . 2]" 1
635 1 58 ILE MG 1 87 PHE H 6.520 . 6.520 5.003 4.100 5.321 . 0 0 "[ . 1 . 2]" 1
636 1 58 ILE MG 1 89 GLN H 5.510 . 5.510 4.089 3.732 4.411 . 0 0 "[ . 1 . 2]" 1
637 1 59 ARG H 1 59 ARG QG 4.600 . 4.600 3.325 2.910 3.506 . 0 0 "[ . 1 . 2]" 1
638 1 59 ARG H 1 60 PHE H 4.770 . 4.770 4.391 4.320 4.500 . 0 0 "[ . 1 . 2]" 1
639 1 59 ARG H 1 86 VAL MG1 6.220 . 6.220 3.158 2.662 5.163 . 0 0 "[ . 1 . 2]" 1
640 1 59 ARG H 1 86 VAL QG 6.380 . 6.380 2.846 2.630 3.175 . 0 0 "[ . 1 . 2]" 1
641 1 59 ARG H 1 86 VAL MG2 6.220 . 6.220 4.550 2.655 5.112 . 0 0 "[ . 1 . 2]" 1
642 1 59 ARG H 1 87 PHE H 3.530 . 3.530 3.056 2.845 3.374 . 0 0 "[ . 1 . 2]" 1
643 1 59 ARG H 1 87 PHE HB2 5.500 . 5.500 5.214 4.235 5.504 0.004 20 0 "[ . 1 . 2]" 1
644 1 59 ARG H 1 87 PHE HB3 4.880 . 4.880 4.374 4.133 4.885 0.005 11 0 "[ . 1 . 2]" 1
645 1 59 ARG H 1 89 GLN QB 5.930 . 5.930 4.713 3.328 5.242 . 0 0 "[ . 1 . 2]" 1
646 1 59 ARG H 1 89 GLN QE 6.030 . 6.030 3.615 2.973 4.404 . 0 0 "[ . 1 . 2]" 1
647 1 59 ARG H 1 89 GLN QG 6.150 . 6.150 3.814 3.097 5.389 . 0 0 "[ . 1 . 2]" 1
648 1 59 ARG HA 1 60 PHE H 2.940 . 2.940 2.367 2.232 2.458 . 0 0 "[ . 1 . 2]" 1
649 1 59 ARG QB 1 60 PHE H 4.270 . 4.270 2.695 2.526 3.010 . 0 0 "[ . 1 . 2]" 1
650 1 59 ARG QB 1 87 PHE H 5.010 . 5.010 3.808 3.599 3.961 . 0 0 "[ . 1 . 2]" 1
651 1 59 ARG QB 1 87 PHE HB3 5.430 . 5.430 3.618 3.046 4.501 . 0 0 "[ . 1 . 2]" 1
652 1 59 ARG QB 1 89 GLN H 6.180 . 6.180 4.992 4.531 5.258 . 0 0 "[ . 1 . 2]" 1
653 1 59 ARG HB2 1 60 PHE H 4.150 . 4.150 3.948 3.823 4.150 0.000 18 0 "[ . 1 . 2]" 1
654 1 59 ARG HB2 1 87 PHE H 4.890 . 4.890 3.976 3.737 4.185 . 0 0 "[ . 1 . 2]" 1
655 1 59 ARG HB3 1 60 PHE H 4.150 . 4.150 2.744 2.561 3.090 . 0 0 "[ . 1 . 2]" 1
656 1 59 ARG HB3 1 87 PHE H 4.890 . 4.890 4.875 4.696 4.899 0.009 20 0 "[ . 1 . 2]" 1
657 1 59 ARG QD 1 60 PHE H 5.350 . 5.350 3.623 3.351 4.040 . 0 0 "[ . 1 . 2]" 1
658 1 59 ARG QG 1 89 GLN H 5.420 . 5.420 4.428 3.835 4.802 . 0 0 "[ . 1 . 2]" 1
659 1 59 ARG QG 1 89 GLN HA 5.960 . 5.960 5.026 4.658 5.260 . 0 0 "[ . 1 . 2]" 1
660 1 59 ARG QG 1 90 GLN H 6.360 . 6.360 5.645 5.450 5.736 . 0 0 "[ . 1 . 2]" 1
661 1 60 PHE H 1 60 PHE HB2 3.790 . 3.790 2.495 2.358 3.415 . 0 0 "[ . 1 . 2]" 1
662 1 60 PHE H 1 60 PHE HB3 3.790 . 3.790 3.650 3.565 3.706 . 0 0 "[ . 1 . 2]" 1
663 1 60 PHE H 1 67 ILE MD 5.800 . 5.800 4.698 4.587 4.735 . 0 0 "[ . 1 . 2]" 1
664 1 60 PHE H 1 84 ILE MG 6.520 . 6.520 5.191 4.913 5.499 . 0 0 "[ . 1 . 2]" 1
665 1 60 PHE H 1 86 VAL QG 7.540 . 7.540 4.548 3.987 5.061 . 0 0 "[ . 1 . 2]" 1
666 1 60 PHE HA 1 61 ARG H 2.890 . 2.890 2.212 2.147 2.300 . 0 0 "[ . 1 . 2]" 1
667 1 60 PHE HA 1 84 ILE MG 5.260 . 5.260 3.548 3.177 3.767 . 0 0 "[ . 1 . 2]" 1
668 1 60 PHE HA 1 87 PHE H 3.980 . 3.980 3.406 3.207 3.745 . 0 0 "[ . 1 . 2]" 1
669 1 60 PHE QB 1 67 ILE H 5.650 . 5.650 4.024 3.632 5.096 . 0 0 "[ . 1 . 2]" 1
670 1 60 PHE QB 1 67 ILE HB 5.520 . 5.520 4.503 4.291 4.744 . 0 0 "[ . 1 . 2]" 1
671 1 60 PHE QB 1 67 ILE MG 6.640 . 6.640 4.445 4.333 4.637 . 0 0 "[ . 1 . 2]" 1
672 1 60 PHE QB 1 84 ILE MG 5.930 . 5.930 2.257 2.051 2.710 . 0 0 "[ . 1 . 2]" 1
673 1 60 PHE HB2 1 61 ARG H 4.080 . 4.080 3.945 3.203 4.083 0.003 17 0 "[ . 1 . 2]" 1
674 1 60 PHE HB2 1 67 ILE MD 5.040 . 5.040 2.699 1.959 2.949 . 0 0 "[ . 1 . 2]" 1
675 1 60 PHE HB3 1 61 ARG H 4.080 . 4.080 2.850 2.666 3.426 . 0 0 "[ . 1 . 2]" 1
676 1 60 PHE HB3 1 67 ILE MD 5.040 . 5.040 2.117 1.898 3.169 . 0 0 "[ . 1 . 2]" 1
677 1 61 ARG H 1 61 ARG HB2 3.900 . 3.900 3.102 2.550 3.906 0.006 15 0 "[ . 1 . 2]" 1
678 1 61 ARG H 1 61 ARG HB3 3.900 . 3.900 3.460 2.573 3.872 . 0 0 "[ . 1 . 2]" 1
679 1 61 ARG H 1 67 ILE MD 5.260 . 5.260 3.587 2.825 3.967 . 0 0 "[ . 1 . 2]" 1
680 1 61 ARG H 1 67 ILE QG 4.790 . 4.790 3.688 3.544 4.004 . 0 0 "[ . 1 . 2]" 1
681 1 61 ARG H 1 67 ILE MG 6.450 . 6.450 5.203 5.015 5.275 . 0 0 "[ . 1 . 2]" 1
682 1 61 ARG H 1 84 ILE HA 5.390 . 5.390 5.006 4.658 5.175 . 0 0 "[ . 1 . 2]" 1
683 1 61 ARG H 1 84 ILE MG 4.670 . 4.670 3.036 2.570 3.258 . 0 0 "[ . 1 . 2]" 1
684 1 61 ARG H 1 85 ASP H 3.700 . 3.700 3.091 2.931 3.281 . 0 0 "[ . 1 . 2]" 1
685 1 61 ARG H 1 86 VAL HA 3.860 . 3.860 3.564 3.389 3.773 . 0 0 "[ . 1 . 2]" 1
686 1 61 ARG H 1 87 PHE H 4.840 . 4.840 4.536 4.182 4.850 0.010 17 0 "[ . 1 . 2]" 1
687 1 61 ARG HA 1 62 PHE H 2.910 . 2.910 2.285 2.141 2.534 . 0 0 "[ . 1 . 2]" 1
688 1 61 ARG HA 1 62 PHE HB2 5.300 . 5.300 4.448 3.785 4.750 . 0 0 "[ . 1 . 2]" 1
689 1 61 ARG HA 1 62 PHE HB3 5.500 . 5.500 4.518 2.751 4.844 . 0 0 "[ . 1 . 2]" 1
690 1 61 ARG HA 1 67 ILE H 3.780 . 3.780 3.002 2.647 3.800 0.020 17 0 "[ . 1 . 2]" 1
691 1 61 ARG HA 1 67 ILE MD 5.260 . 5.260 3.662 3.116 4.040 . 0 0 "[ . 1 . 2]" 1
692 1 61 ARG HA 1 67 ILE QG 4.760 . 4.760 2.484 2.117 2.921 . 0 0 "[ . 1 . 2]" 1
693 1 61 ARG HA 1 67 ILE MG 5.220 . 5.220 3.463 3.033 4.241 . 0 0 "[ . 1 . 2]" 1
694 1 61 ARG QB 1 62 PHE H 4.790 . 4.790 2.787 2.389 3.909 . 0 0 "[ . 1 . 2]" 1
695 1 61 ARG QB 1 62 PHE HA 5.700 . 5.700 4.070 3.649 4.829 . 0 0 "[ . 1 . 2]" 1
696 1 61 ARG QB 1 85 ASP H 5.800 . 5.800 4.222 3.540 5.067 . 0 0 "[ . 1 . 2]" 1
697 1 61 ARG QB 1 85 ASP QB 5.540 . 5.540 2.937 2.155 4.039 . 0 0 "[ . 1 . 2]" 1
698 1 61 ARG HB2 1 62 PHE H 4.490 . 4.490 3.537 2.583 4.496 0.006 17 0 "[ . 1 . 2]" 1
699 1 61 ARG HB2 1 85 ASP QB 5.250 . 5.250 3.329 2.172 4.481 . 0 0 "[ . 1 . 2]" 1
700 1 61 ARG HB3 1 62 PHE H 4.490 . 4.490 3.265 2.422 4.295 . 0 0 "[ . 1 . 2]" 1
701 1 61 ARG HB3 1 85 ASP QB 5.250 . 5.250 3.867 2.397 4.665 . 0 0 "[ . 1 . 2]" 1
702 1 61 ARG QD 1 64 GLY QA 5.850 . 5.850 2.886 2.216 4.425 . 0 0 "[ . 1 . 2]" 1
703 1 61 ARG QD 1 65 GLN H 5.810 . 5.810 4.403 3.895 4.880 . 0 0 "[ . 1 . 2]" 1
704 1 61 ARG QG 1 62 PHE H 4.870 . 4.870 3.699 2.618 4.162 . 0 0 "[ . 1 . 2]" 1
705 1 61 ARG QG 1 62 PHE HA 6.220 . 6.220 4.906 3.688 5.607 . 0 0 "[ . 1 . 2]" 1
706 1 61 ARG QG 1 85 ASP QB 6.940 . 6.940 3.497 1.950 4.829 . 0 0 "[ . 1 . 2]" 1
707 1 62 PHE H 1 62 PHE HB2 3.770 . 3.770 3.144 2.411 3.321 . 0 0 "[ . 1 . 2]" 1
708 1 62 PHE H 1 63 ASP HA 5.500 . 5.500 5.425 4.624 5.508 0.008 15 0 "[ . 1 . 2]" 1
709 1 62 PHE H 1 64 GLY QA 5.910 . 5.910 4.857 4.572 5.201 . 0 0 "[ . 1 . 2]" 1
710 1 62 PHE H 1 65 GLN H 3.490 . 3.490 2.863 2.689 3.139 . 0 0 "[ . 1 . 2]" 1
711 1 62 PHE H 1 66 PRO HA 4.520 . 4.520 3.928 3.588 4.524 0.004 15 0 "[ . 1 . 2]" 1
712 1 62 PHE H 1 67 ILE H 4.750 . 4.750 4.322 3.960 4.607 . 0 0 "[ . 1 . 2]" 1
713 1 62 PHE H 1 67 ILE MD 5.050 . 5.050 3.942 3.783 4.094 . 0 0 "[ . 1 . 2]" 1
714 1 62 PHE H 1 67 ILE QG 4.680 . 4.680 3.502 3.045 3.776 . 0 0 "[ . 1 . 2]" 1
715 1 62 PHE H 1 67 ILE MG 4.830 . 4.830 2.924 2.634 3.781 . 0 0 "[ . 1 . 2]" 1
716 1 62 PHE HA 1 63 ASP HA 4.440 . 4.440 4.242 4.104 4.303 . 0 0 "[ . 1 . 2]" 1
717 1 62 PHE HA 1 63 ASP QB 6.220 . 6.220 4.096 3.831 4.845 . 0 0 "[ . 1 . 2]" 1
718 1 62 PHE HA 1 65 GLN H 4.760 . 4.760 4.466 4.019 4.762 0.002 15 0 "[ . 1 . 2]" 1
719 1 62 PHE HA 1 67 ILE MD 5.300 . 5.300 4.048 2.485 4.209 . 0 0 "[ . 1 . 2]" 1
720 1 62 PHE HA 1 67 ILE QG 6.380 . 6.380 4.905 3.440 5.308 . 0 0 "[ . 1 . 2]" 1
721 1 62 PHE HA 1 67 ILE MG 5.360 . 5.360 4.219 2.626 4.362 . 0 0 "[ . 1 . 2]" 1
722 1 62 PHE HB2 1 67 ILE MG 4.860 . 4.860 2.519 1.962 2.912 . 0 0 "[ . 1 . 2]" 1
723 1 62 PHE HB3 1 65 GLN H 4.370 . 4.370 4.265 3.954 4.445 0.075 17 0 "[ . 1 . 2]" 1
724 1 62 PHE HB3 1 67 ILE MG 4.470 . 4.470 2.425 1.880 2.747 . 0 0 "[ . 1 . 2]" 1
725 1 63 ASP H 1 65 GLN H 4.700 . 4.700 4.194 3.529 4.556 . 0 0 "[ . 1 . 2]" 1
726 1 63 ASP HA 1 64 GLY QA 5.700 . 5.700 3.919 3.689 4.013 . 0 0 "[ . 1 . 2]" 1
727 1 63 ASP QB 1 65 GLN H 5.270 . 5.270 3.921 2.928 4.427 . 0 0 "[ . 1 . 2]" 1
728 1 64 GLY H 1 65 GLN H 3.510 . 3.510 2.867 2.565 3.100 . 0 0 "[ . 1 . 2]" 1
729 1 65 GLN H 1 65 GLN HB2 3.840 . 3.840 2.712 2.436 3.823 . 0 0 "[ . 1 . 2]" 1
730 1 65 GLN H 1 65 GLN QB 3.890 . 3.890 2.563 2.401 3.069 . 0 0 "[ . 1 . 2]" 1
731 1 65 GLN H 1 65 GLN HB3 3.840 . 3.840 3.601 3.133 3.738 . 0 0 "[ . 1 . 2]" 1
732 1 65 GLN H 1 65 GLN QE 5.520 . 5.520 3.904 3.126 4.748 . 0 0 "[ . 1 . 2]" 1
733 1 65 GLN H 1 65 GLN HG2 4.110 . 4.110 3.462 2.426 4.116 0.006 17 0 "[ . 1 . 2]" 1
734 1 65 GLN H 1 65 GLN QG 4.170 . 4.170 2.627 2.293 3.067 . 0 0 "[ . 1 . 2]" 1
735 1 65 GLN H 1 65 GLN HG3 4.110 . 4.110 2.969 2.475 4.049 . 0 0 "[ . 1 . 2]" 1
736 1 65 GLN H 1 67 ILE MG 5.980 . 5.980 4.753 4.436 4.838 . 0 0 "[ . 1 . 2]" 1
737 1 66 PRO HA 1 67 ILE H 2.920 . 2.920 2.254 2.157 2.964 0.044 15 0 "[ . 1 . 2]" 1
738 1 66 PRO QB 1 67 ILE H 4.480 . 4.480 3.232 2.957 4.016 . 0 0 "[ . 1 . 2]" 1
739 1 67 ILE H 1 67 ILE HB 3.810 . 3.810 3.723 3.657 3.817 0.007 15 0 "[ . 1 . 2]" 1
740 1 67 ILE H 1 67 ILE MD 5.180 . 5.180 3.836 3.763 3.918 . 0 0 "[ . 1 . 2]" 1
741 1 67 ILE H 1 67 ILE QG 4.360 . 4.360 2.094 1.988 2.206 . 0 0 "[ . 1 . 2]" 1
742 1 67 ILE H 1 67 ILE MG 4.410 . 4.410 3.084 2.744 3.235 . 0 0 "[ . 1 . 2]" 1
743 1 67 ILE H 1 68 ASN H 4.810 . 4.810 4.443 4.357 4.505 . 0 0 "[ . 1 . 2]" 1
744 1 67 ILE HA 1 68 ASN H 2.880 . 2.880 2.318 2.146 2.452 . 0 0 "[ . 1 . 2]" 1
745 1 67 ILE HB 1 68 ASN H 3.670 . 3.670 2.860 2.552 3.219 . 0 0 "[ . 1 . 2]" 1
746 1 67 ILE HB 1 71 ASP QB 4.940 . 4.940 2.975 2.722 3.409 . 0 0 "[ . 1 . 2]" 1
747 1 67 ILE MD 1 68 ASN H 6.270 . 6.270 4.774 4.383 5.242 . 0 0 "[ . 1 . 2]" 1
748 1 67 ILE QG 1 68 ASN H 5.250 . 5.250 4.094 3.930 4.273 . 0 0 "[ . 1 . 2]" 1
749 1 67 ILE QG 1 85 ASP H 6.380 . 6.380 5.306 5.151 5.578 . 0 0 "[ . 1 . 2]" 1
750 1 67 ILE MG 1 68 ASN H 4.830 . 4.830 3.679 3.406 3.858 . 0 0 "[ . 1 . 2]" 1
751 1 67 ILE MG 1 72 THR H 6.520 . 6.520 5.295 5.195 5.323 . 0 0 "[ . 1 . 2]" 1
752 1 67 ILE MG 1 76 LEU HB2 4.700 . 4.700 3.565 3.186 3.778 . 0 0 "[ . 1 . 2]" 1
753 1 67 ILE MG 1 76 LEU HB3 5.900 . 5.900 4.493 4.097 4.747 . 0 0 "[ . 1 . 2]" 1
754 1 68 ASN H 1 68 ASN HB2 4.040 . 4.040 2.549 2.422 2.656 . 0 0 "[ . 1 . 2]" 1
755 1 68 ASN H 1 68 ASN HB3 4.040 . 4.040 3.702 3.640 3.763 . 0 0 "[ . 1 . 2]" 1
756 1 68 ASN H 1 68 ASN HD21 4.860 . 4.860 2.715 2.339 3.949 . 0 0 "[ . 1 . 2]" 1
757 1 68 ASN H 1 68 ASN HD22 4.860 . 4.860 3.907 3.657 4.319 . 0 0 "[ . 1 . 2]" 1
758 1 68 ASN H 1 70 THR H 5.270 . 5.270 4.849 4.591 5.116 . 0 0 "[ . 1 . 2]" 1
759 1 68 ASN H 1 71 ASP H 5.200 . 5.200 3.472 3.231 3.773 . 0 0 "[ . 1 . 2]" 1
760 1 68 ASN H 1 71 ASP HA 4.810 . 4.810 4.779 4.570 4.821 0.011 8 0 "[ . 1 . 2]" 1
761 1 68 ASN H 1 71 ASP HB2 4.140 . 4.140 2.305 2.139 2.514 . 0 0 "[ . 1 . 2]" 1
762 1 68 ASN H 1 71 ASP QB 4.230 . 4.230 2.276 2.122 2.466 . 0 0 "[ . 1 . 2]" 1
763 1 68 ASN H 1 71 ASP HB3 4.140 . 4.140 3.548 3.468 3.624 . 0 0 "[ . 1 . 2]" 1
764 1 68 ASN H 1 72 THR H 5.500 . 5.500 5.509 5.503 5.518 0.018 16 0 "[ . 1 . 2]" 1
765 1 68 ASN HA 1 69 GLU H 3.050 . 3.050 2.430 2.360 2.519 . 0 0 "[ . 1 . 2]" 1
766 1 68 ASN HA 1 71 ASP H 4.760 . 4.760 4.472 4.299 4.735 . 0 0 "[ . 1 . 2]" 1
767 1 68 ASN QB 1 69 GLU H 4.210 . 4.210 2.522 2.340 2.721 . 0 0 "[ . 1 . 2]" 1
768 1 68 ASN QB 1 70 THR H 4.910 . 4.910 2.606 2.247 2.964 . 0 0 "[ . 1 . 2]" 1
769 1 68 ASN QB 1 71 ASP H 4.550 . 4.550 2.824 2.421 3.174 . 0 0 "[ . 1 . 2]" 1
770 1 68 ASN HB2 1 69 GLU H 3.920 . 3.920 3.685 3.497 3.824 . 0 0 "[ . 1 . 2]" 1
771 1 68 ASN HB3 1 69 GLU H 3.920 . 3.920 2.569 2.373 2.785 . 0 0 "[ . 1 . 2]" 1
772 1 69 GLU H 1 69 GLU QG 4.560 . 4.560 2.486 2.293 2.846 . 0 0 "[ . 1 . 2]" 1
773 1 69 GLU H 1 70 THR H 3.750 . 3.750 2.705 2.290 2.943 . 0 0 "[ . 1 . 2]" 1
774 1 69 GLU H 1 70 THR HB 5.500 . 5.500 5.142 4.762 5.510 0.010 9 0 "[ . 1 . 2]" 1
775 1 69 GLU H 1 71 ASP H 5.030 . 5.030 4.091 3.841 4.269 . 0 0 "[ . 1 . 2]" 1
776 1 69 GLU HA 1 69 GLU HG2 3.810 . 3.810 2.682 2.507 2.878 . 0 0 "[ . 1 . 2]" 1
777 1 69 GLU HA 1 69 GLU HG3 3.810 . 3.810 2.579 2.336 2.706 . 0 0 "[ . 1 . 2]" 1
778 1 69 GLU HA 1 71 ASP H 4.360 . 4.360 3.703 3.551 3.845 . 0 0 "[ . 1 . 2]" 1
779 1 69 GLU QB 1 71 ASP H 5.740 . 5.740 4.679 4.551 4.753 . 0 0 "[ . 1 . 2]" 1
780 1 70 THR H 1 71 ASP H 3.120 . 3.120 2.639 2.502 2.802 . 0 0 "[ . 1 . 2]" 1
781 1 70 THR HB 1 71 ASP H 3.910 . 3.910 3.643 3.335 3.915 0.005 9 0 "[ . 1 . 2]" 1
782 1 70 THR MG 1 71 ASP H 5.310 . 5.310 4.289 4.002 4.437 . 0 0 "[ . 1 . 2]" 1
783 1 71 ASP H 1 71 ASP HB2 3.510 . 3.510 2.298 2.233 2.341 . 0 0 "[ . 1 . 2]" 1
784 1 71 ASP H 1 71 ASP QB 3.750 . 3.750 2.270 2.210 2.309 . 0 0 "[ . 1 . 2]" 1
785 1 71 ASP H 1 71 ASP HB3 3.510 . 3.510 3.522 3.516 3.527 0.017 5 0 "[ . 1 . 2]" 1
786 1 71 ASP H 1 72 THR H 4.740 . 4.740 4.433 4.356 4.512 . 0 0 "[ . 1 . 2]" 1
787 1 71 ASP HA 1 72 THR H 3.100 . 3.100 2.606 2.369 2.775 . 0 0 "[ . 1 . 2]" 1
788 1 71 ASP QB 1 72 THR H 4.830 . 4.830 2.057 1.968 2.168 . 0 0 "[ . 1 . 2]" 1
789 1 71 ASP QB 1 76 LEU H 6.220 . 6.220 4.391 4.155 4.805 . 0 0 "[ . 1 . 2]" 1
790 1 71 ASP QB 1 76 LEU HB2 5.030 . 5.030 3.506 3.098 4.176 . 0 0 "[ . 1 . 2]" 1
791 1 71 ASP QB 1 76 LEU QD 6.830 . 6.830 3.628 3.015 4.156 . 0 0 "[ . 1 . 2]" 1
792 1 72 THR H 1 72 THR MG 4.450 . 4.450 3.117 2.491 3.356 . 0 0 "[ . 1 . 2]" 1
793 1 72 THR H 1 73 PRO HA 5.500 . 5.500 4.952 4.796 5.392 . 0 0 "[ . 1 . 2]" 1
794 1 72 THR H 1 74 ALA H 5.130 . 5.130 5.002 4.890 5.134 0.004 12 0 "[ . 1 . 2]" 1
795 1 72 THR H 1 75 GLN H 4.460 . 4.460 3.728 3.580 3.933 . 0 0 "[ . 1 . 2]" 1
796 1 72 THR H 1 75 GLN HB2 3.880 . 3.880 2.400 2.144 2.678 . 0 0 "[ . 1 . 2]" 1
797 1 72 THR H 1 75 GLN HB3 4.270 . 4.270 3.740 3.538 4.033 . 0 0 "[ . 1 . 2]" 1
798 1 72 THR H 1 76 LEU HB2 4.530 . 4.530 3.634 3.186 4.534 0.004 12 0 "[ . 1 . 2]" 1
799 1 72 THR H 1 76 LEU HB3 5.360 . 5.360 4.561 4.258 5.208 . 0 0 "[ . 1 . 2]" 1
800 1 72 THR H 1 76 LEU QD 7.600 . 7.600 4.448 3.989 4.959 . 0 0 "[ . 1 . 2]" 1
801 1 72 THR HA 1 73 PRO HA 4.460 . 4.460 4.396 4.358 4.442 . 0 0 "[ . 1 . 2]" 1
802 1 72 THR HA 1 74 ALA H 4.240 . 4.240 4.239 4.165 4.248 0.008 7 0 "[ . 1 . 2]" 1
803 1 72 THR HB 1 75 GLN H 4.100 . 4.100 3.648 3.470 3.878 . 0 0 "[ . 1 . 2]" 1
804 1 73 PRO QB 1 74 ALA H 4.200 . 4.200 2.747 2.622 2.833 . 0 0 "[ . 1 . 2]" 1
805 1 74 ALA H 1 75 GLN H 3.500 . 3.500 2.663 2.495 2.759 . 0 0 "[ . 1 . 2]" 1
806 1 74 ALA H 1 75 GLN HB2 4.640 . 4.640 4.556 4.344 4.644 0.004 20 0 "[ . 1 . 2]" 1
807 1 74 ALA H 1 76 LEU H 4.760 . 4.760 4.260 4.144 4.359 . 0 0 "[ . 1 . 2]" 1
808 1 74 ALA HA 1 77 GLU H 3.860 . 3.860 3.710 3.533 3.853 . 0 0 "[ . 1 . 2]" 1
809 1 74 ALA HA 1 77 GLU HA 4.090 . 4.090 3.597 3.409 3.736 . 0 0 "[ . 1 . 2]" 1
810 1 74 ALA HA 1 77 GLU QG 5.670 . 5.670 4.267 3.938 4.788 . 0 0 "[ . 1 . 2]" 1
811 1 74 ALA MB 1 75 GLN H 4.150 . 4.150 2.359 2.309 2.431 . 0 0 "[ . 1 . 2]" 1
812 1 74 ALA MB 1 75 GLN HA 5.370 . 5.370 3.732 3.678 3.799 . 0 0 "[ . 1 . 2]" 1
813 1 74 ALA MB 1 75 GLN HB3 6.250 . 6.250 5.049 5.017 5.057 . 0 0 "[ . 1 . 2]" 1
814 1 74 ALA MB 1 75 GLN QG 5.540 . 5.540 2.985 2.834 3.147 . 0 0 "[ . 1 . 2]" 1
815 1 74 ALA MB 1 76 LEU H 5.710 . 5.710 4.569 4.397 4.690 . 0 0 "[ . 1 . 2]" 1
816 1 74 ALA MB 1 77 GLU H 5.740 . 5.740 4.591 4.466 4.706 . 0 0 "[ . 1 . 2]" 1
817 1 74 ALA MB 1 77 GLU HA 6.070 . 6.070 4.987 4.824 5.119 . 0 0 "[ . 1 . 2]" 1
818 1 75 GLN H 1 75 GLN HB2 3.030 . 3.030 2.202 2.140 2.255 . 0 0 "[ . 1 . 2]" 1
819 1 75 GLN H 1 75 GLN HB3 3.570 . 3.570 3.486 3.452 3.512 . 0 0 "[ . 1 . 2]" 1
820 1 75 GLN H 1 75 GLN QG 4.220 . 4.220 2.565 2.331 2.732 . 0 0 "[ . 1 . 2]" 1
821 1 75 GLN H 1 76 LEU H 3.250 . 3.250 2.708 2.618 2.795 . 0 0 "[ . 1 . 2]" 1
822 1 75 GLN H 1 76 LEU HB2 5.140 . 5.140 4.826 4.455 5.089 . 0 0 "[ . 1 . 2]" 1
823 1 75 GLN H 1 76 LEU HB3 5.020 . 5.020 4.923 4.500 5.027 0.007 20 0 "[ . 1 . 2]" 1
824 1 75 GLN H 1 77 GLU H 4.350 . 4.350 3.791 3.734 3.840 . 0 0 "[ . 1 . 2]" 1
825 1 75 GLN H 1 77 GLU HA 5.330 . 5.330 5.334 5.331 5.338 0.008 11 0 "[ . 1 . 2]" 1
826 1 75 GLN HA 1 77 GLU H 4.280 . 4.280 3.946 3.731 4.159 . 0 0 "[ . 1 . 2]" 1
827 1 75 GLN HB2 1 76 LEU H 3.690 . 3.690 2.710 2.574 2.833 . 0 0 "[ . 1 . 2]" 1
828 1 75 GLN HB2 1 76 LEU HB2 4.360 . 4.360 3.960 3.554 4.240 . 0 0 "[ . 1 . 2]" 1
829 1 75 GLN HB3 1 76 LEU H 3.430 . 3.430 3.433 3.388 3.438 0.008 9 0 "[ . 1 . 2]" 1
830 1 75 GLN HB3 1 76 LEU HA 4.730 . 4.730 4.240 4.128 4.344 . 0 0 "[ . 1 . 2]" 1
831 1 75 GLN HB3 1 76 LEU HB2 4.790 . 4.790 4.318 4.107 4.609 . 0 0 "[ . 1 . 2]" 1
832 1 75 GLN QG 1 76 LEU H 5.240 . 5.240 4.358 4.226 4.429 . 0 0 "[ . 1 . 2]" 1
833 1 76 LEU H 1 76 LEU HB2 3.010 . 3.010 2.330 2.029 2.596 . 0 0 "[ . 1 . 2]" 1
834 1 76 LEU H 1 76 LEU HB3 3.260 . 3.260 2.422 2.145 2.638 . 0 0 "[ . 1 . 2]" 1
835 1 76 LEU H 1 77 GLU H 3.190 . 3.190 2.490 2.377 2.640 . 0 0 "[ . 1 . 2]" 1
836 1 76 LEU H 1 77 GLU HA 4.920 . 4.920 4.548 4.419 4.703 . 0 0 "[ . 1 . 2]" 1
837 1 76 LEU H 1 78 MET H 4.340 . 4.340 4.152 4.023 4.306 . 0 0 "[ . 1 . 2]" 1
838 1 76 LEU H 1 78 MET QB 6.230 . 6.230 5.361 5.270 5.412 . 0 0 "[ . 1 . 2]" 1
839 1 76 LEU HA 1 77 GLU QG 5.970 . 5.970 3.922 3.499 4.414 . 0 0 "[ . 1 . 2]" 1
840 1 76 LEU HB2 1 77 GLU H 4.410 . 4.410 4.162 4.024 4.333 . 0 0 "[ . 1 . 2]" 1
841 1 76 LEU HB2 1 78 MET H 5.280 . 5.280 5.031 4.843 5.283 0.003 12 0 "[ . 1 . 2]" 1
842 1 76 LEU HB2 1 78 MET QG 6.180 . 6.180 3.931 3.738 4.129 . 0 0 "[ . 1 . 2]" 1
843 1 76 LEU HB3 1 77 GLU H 4.170 . 4.170 3.379 3.264 3.534 . 0 0 "[ . 1 . 2]" 1
844 1 76 LEU HB3 1 78 MET H 4.150 . 4.150 3.403 3.151 3.678 . 0 0 "[ . 1 . 2]" 1
845 1 76 LEU HB3 1 78 MET QG 5.160 . 5.160 2.314 2.135 2.648 . 0 0 "[ . 1 . 2]" 1
846 1 77 GLU H 1 77 GLU HA 2.730 . 2.730 2.124 2.090 2.145 . 0 0 "[ . 1 . 2]" 1
847 1 77 GLU H 1 77 GLU QG 3.870 . 3.870 2.688 2.577 2.802 . 0 0 "[ . 1 . 2]" 1
848 1 77 GLU H 1 78 MET QB 5.750 . 5.750 4.756 4.608 4.948 . 0 0 "[ . 1 . 2]" 1
849 1 77 GLU HA 1 78 MET H 3.260 . 3.260 2.676 2.562 2.793 . 0 0 "[ . 1 . 2]" 1
850 1 78 MET H 1 78 MET QB 3.910 . 3.910 2.276 2.214 2.382 . 0 0 "[ . 1 . 2]" 1
851 1 78 MET H 1 78 MET QG 3.930 . 3.930 2.218 2.032 2.501 . 0 0 "[ . 1 . 2]" 1
852 1 78 MET H 1 79 GLU H 4.610 . 4.610 4.590 4.549 4.614 0.004 14 0 "[ . 1 . 2]" 1
853 1 78 MET H 1 82 ASP HB2 5.460 . 5.460 5.473 5.459 5.480 0.020 7 0 "[ . 1 . 2]" 1
854 1 78 MET HA 1 79 GLU H 3.000 . 3.000 2.307 2.166 2.397 . 0 0 "[ . 1 . 2]" 1
855 1 78 MET HA 1 79 GLU QB 5.340 . 5.340 4.119 3.718 4.360 . 0 0 "[ . 1 . 2]" 1
856 1 78 MET QB 1 79 GLU H 4.600 . 4.600 2.661 2.480 2.909 . 0 0 "[ . 1 . 2]" 1
857 1 78 MET QB 1 79 GLU HA 5.420 . 5.420 4.267 4.042 4.421 . 0 0 "[ . 1 . 2]" 1
858 1 79 GLU H 1 79 GLU QG 5.140 . 5.140 3.022 2.229 4.332 . 0 0 "[ . 1 . 2]" 1
859 1 79 GLU H 1 80 ASP H 4.940 . 4.940 4.377 4.214 4.504 . 0 0 "[ . 1 . 2]" 1
860 1 79 GLU H 1 82 ASP H 4.700 . 4.700 3.780 3.589 4.076 . 0 0 "[ . 1 . 2]" 1
861 1 79 GLU H 1 82 ASP HB2 4.120 . 4.120 2.278 1.988 2.467 . 0 0 "[ . 1 . 2]" 1
862 1 79 GLU H 1 82 ASP HB3 4.220 . 4.220 3.810 3.508 4.221 0.001 11 0 "[ . 1 . 2]" 1
863 1 79 GLU HA 1 79 GLU HG2 4.150 . 4.150 2.729 2.414 3.818 . 0 0 "[ . 1 . 2]" 1
864 1 79 GLU HA 1 79 GLU HG3 4.150 . 4.150 3.322 2.885 3.806 . 0 0 "[ . 1 . 2]" 1
865 1 79 GLU HA 1 80 ASP HA 4.420 . 4.420 4.202 4.007 4.371 . 0 0 "[ . 1 . 2]" 1
866 1 79 GLU HA 1 80 ASP QB 5.470 . 5.470 4.440 4.108 4.610 . 0 0 "[ . 1 . 2]" 1
867 1 79 GLU QB 1 80 ASP H 3.900 . 3.900 2.140 1.863 2.829 . 0 0 "[ . 1 . 2]" 1
868 1 79 GLU QB 1 80 ASP HA 5.460 . 5.460 4.347 4.228 4.797 . 0 0 "[ . 1 . 2]" 1
869 1 79 GLU QB 1 80 ASP QB 5.860 . 5.860 4.188 3.849 4.483 . 0 0 "[ . 1 . 2]" 1
870 1 79 GLU QB 1 81 GLU H 4.840 . 4.840 2.842 2.220 3.395 . 0 0 "[ . 1 . 2]" 1
871 1 79 GLU QB 1 82 ASP H 5.420 . 5.420 4.313 3.621 4.899 . 0 0 "[ . 1 . 2]" 1
872 1 79 GLU HB2 1 80 ASP H 3.720 . 3.720 3.327 2.181 3.651 . 0 0 "[ . 1 . 2]" 1
873 1 79 GLU HB3 1 80 ASP H 3.720 . 3.720 2.241 1.879 3.687 . 0 0 "[ . 1 . 2]" 1
874 1 79 GLU QG 1 80 ASP H 4.900 . 4.900 3.716 1.778 4.166 0.022 7 0 "[ . 1 . 2]" 1
875 1 80 ASP H 1 80 ASP QB 3.600 . 3.600 2.446 2.074 2.598 . 0 0 "[ . 1 . 2]" 1
876 1 80 ASP H 1 81 GLU H 4.600 . 4.600 2.869 2.589 3.127 . 0 0 "[ . 1 . 2]" 1
877 1 80 ASP HA 1 81 GLU HA 4.550 . 4.550 4.371 4.238 4.434 . 0 0 "[ . 1 . 2]" 1
878 1 80 ASP QB 1 81 GLU H 4.570 . 4.570 3.767 3.707 3.853 . 0 0 "[ . 1 . 2]" 1
879 1 80 ASP QB 1 81 GLU QG 5.780 . 5.780 3.695 3.339 4.141 . 0 0 "[ . 1 . 2]" 1
880 1 81 GLU H 1 81 GLU QG 4.690 . 4.690 3.296 2.472 3.674 . 0 0 "[ . 1 . 2]" 1
881 1 81 GLU H 1 82 ASP H 3.560 . 3.560 3.323 2.937 3.572 0.012 11 0 "[ . 1 . 2]" 1
882 1 81 GLU H 1 82 ASP HB2 4.800 . 4.800 4.641 4.401 4.802 0.002 15 0 "[ . 1 . 2]" 1
883 1 81 GLU HA 1 81 GLU HG2 3.640 . 3.640 2.646 2.393 3.643 0.003 9 0 "[ . 1 . 2]" 1
884 1 81 GLU HA 1 81 GLU HG3 3.640 . 3.640 3.177 3.009 3.659 0.019 9 0 "[ . 1 . 2]" 1
885 1 81 GLU QB 1 82 ASP H 5.200 . 5.200 3.887 3.656 4.045 . 0 0 "[ . 1 . 2]" 1
886 1 81 GLU QG 1 82 ASP H 5.660 . 5.660 4.571 4.173 4.777 . 0 0 "[ . 1 . 2]" 1
887 1 81 GLU HG2 1 82 ASP H 5.500 . 5.500 5.020 4.403 5.411 . 0 0 "[ . 1 . 2]" 1
888 1 81 GLU HG3 1 82 ASP H 5.500 . 5.500 5.301 4.828 5.491 . 0 0 "[ . 1 . 2]" 1
889 1 82 ASP H 1 82 ASP HB2 3.000 . 3.000 2.380 2.190 2.570 . 0 0 "[ . 1 . 2]" 1
890 1 82 ASP H 1 82 ASP HB3 3.240 . 3.240 3.180 3.010 3.253 0.013 13 0 "[ . 1 . 2]" 1
891 1 82 ASP H 1 83 THR H 4.660 . 4.660 4.583 4.513 4.641 . 0 0 "[ . 1 . 2]" 1
892 1 82 ASP HA 1 83 THR H 2.950 . 2.950 2.406 2.330 2.499 . 0 0 "[ . 1 . 2]" 1
893 1 82 ASP HB2 1 83 THR H 3.970 . 3.970 3.923 3.779 3.978 0.008 4 0 "[ . 1 . 2]" 1
894 1 83 THR H 1 83 THR HB 3.570 . 3.570 2.843 2.718 2.980 . 0 0 "[ . 1 . 2]" 1
895 1 83 THR H 1 83 THR MG 4.750 . 4.750 3.970 3.929 4.008 . 0 0 "[ . 1 . 2]" 1
896 1 83 THR H 1 84 ILE H 4.600 . 4.600 4.148 4.024 4.262 . 0 0 "[ . 1 . 2]" 1
897 1 83 THR H 1 84 ILE HA 5.050 . 5.050 4.829 4.648 5.003 . 0 0 "[ . 1 . 2]" 1
898 1 83 THR H 1 84 ILE QG 6.220 . 6.220 3.951 3.619 4.509 . 0 0 "[ . 1 . 2]" 1
899 1 83 THR HA 1 84 ILE H 2.950 . 2.950 2.098 2.055 2.147 . 0 0 "[ . 1 . 2]" 1
900 1 83 THR HB 1 84 ILE H 4.520 . 4.520 4.248 4.138 4.329 . 0 0 "[ . 1 . 2]" 1
901 1 83 THR MG 1 84 ILE H 5.340 . 5.340 2.809 2.580 2.940 . 0 0 "[ . 1 . 2]" 1
902 1 84 ILE H 1 84 ILE HB 3.390 . 3.390 2.484 2.354 2.742 . 0 0 "[ . 1 . 2]" 1
903 1 84 ILE H 1 84 ILE MD 5.120 . 5.120 3.772 3.268 4.202 . 0 0 "[ . 1 . 2]" 1
904 1 84 ILE H 1 84 ILE QG 4.670 . 4.670 2.727 2.377 2.944 . 0 0 "[ . 1 . 2]" 1
905 1 84 ILE H 1 85 ASP H 5.080 . 5.080 4.501 4.460 4.552 . 0 0 "[ . 1 . 2]" 1
906 1 84 ILE HA 1 85 ASP H 2.900 . 2.900 2.305 2.256 2.391 . 0 0 "[ . 1 . 2]" 1
907 1 84 ILE MG 1 85 ASP H 4.470 . 4.470 2.342 2.263 2.405 . 0 0 "[ . 1 . 2]" 1
908 1 85 ASP H 1 86 VAL H 4.640 . 4.640 4.480 4.425 4.526 . 0 0 "[ . 1 . 2]" 1
909 1 85 ASP HA 1 86 VAL H 2.740 . 2.740 2.252 2.189 2.302 . 0 0 "[ . 1 . 2]" 1
910 1 85 ASP HA 1 86 VAL HB 4.790 . 4.790 4.561 3.938 4.791 0.001 18 0 "[ . 1 . 2]" 1
911 1 85 ASP QB 1 86 VAL H 4.250 . 4.250 3.332 2.781 3.820 . 0 0 "[ . 1 . 2]" 1
912 1 85 ASP QB 1 87 PHE H 6.250 . 6.250 5.322 4.980 5.448 . 0 0 "[ . 1 . 2]" 1
913 1 86 VAL H 1 86 VAL HB 3.360 . 3.360 2.587 2.339 3.121 . 0 0 "[ . 1 . 2]" 1
914 1 86 VAL H 1 87 PHE H 4.510 . 4.510 4.421 4.220 4.513 0.003 19 0 "[ . 1 . 2]" 1
915 1 86 VAL H 1 87 PHE HB2 5.500 . 5.500 5.482 5.313 5.511 0.011 16 0 "[ . 1 . 2]" 1
916 1 86 VAL HA 1 87 PHE H 2.770 . 2.770 2.154 1.985 2.238 . 0 0 "[ . 1 . 2]" 1
917 1 86 VAL HB 1 87 PHE H 4.300 . 4.300 4.131 3.938 4.311 0.011 12 0 "[ . 1 . 2]" 1
918 1 86 VAL MG1 1 87 PHE H 4.990 . 4.990 2.741 2.438 3.934 . 0 0 "[ . 1 . 2]" 1
919 1 86 VAL MG2 1 87 PHE H 4.990 . 4.990 3.768 2.397 4.142 . 0 0 "[ . 1 . 2]" 1
920 1 87 PHE H 1 87 PHE HB2 3.790 . 3.790 2.816 2.444 3.136 . 0 0 "[ . 1 . 2]" 1
921 1 87 PHE H 1 89 GLN QE 5.170 . 5.170 4.218 3.755 4.626 . 0 0 "[ . 1 . 2]" 1
922 1 87 PHE HA 1 88 GLN H 2.790 . 2.790 2.154 2.055 2.245 . 0 0 "[ . 1 . 2]" 1
923 1 87 PHE HB2 1 88 GLN H 4.240 . 4.240 4.243 4.210 4.257 0.017 4 0 "[ . 1 . 2]" 1
924 1 87 PHE HB2 1 89 GLN QE 4.550 . 4.550 3.907 2.969 4.128 . 0 0 "[ . 1 . 2]" 1
925 1 87 PHE HB3 1 88 GLN H 3.800 . 3.800 3.725 3.099 3.814 0.014 10 0 "[ . 1 . 2]" 1
926 1 87 PHE HB3 1 89 GLN QE 4.570 . 4.570 2.445 2.078 2.671 . 0 0 "[ . 1 . 2]" 1
927 1 88 GLN H 1 88 GLN HB2 3.710 . 3.710 2.852 2.390 3.719 0.009 11 0 "[ . 1 . 2]" 1
928 1 88 GLN H 1 88 GLN HB3 3.710 . 3.710 2.920 2.284 3.704 . 0 0 "[ . 1 . 2]" 1
929 1 88 GLN H 1 88 GLN QE 6.360 . 6.360 4.619 3.333 5.428 . 0 0 "[ . 1 . 2]" 1
930 1 88 GLN H 1 88 GLN QG 4.840 . 4.840 3.166 1.850 4.077 . 0 0 "[ . 1 . 2]" 1
931 1 88 GLN H 1 89 GLN QE 6.200 . 6.200 4.081 3.293 4.589 . 0 0 "[ . 1 . 2]" 1
932 1 89 GLN H 1 89 GLN HE21 5.500 . 5.500 3.983 3.193 4.953 . 0 0 "[ . 1 . 2]" 1
933 1 89 GLN H 1 89 GLN QE 5.530 . 5.530 3.842 3.140 4.614 . 0 0 "[ . 1 . 2]" 1
934 1 89 GLN H 1 89 GLN HE22 5.500 . 5.500 5.130 4.650 5.507 0.007 7 0 "[ . 1 . 2]" 1
935 1 89 GLN H 1 89 GLN QG 4.980 . 4.980 2.989 2.234 4.316 . 0 0 "[ . 1 . 2]" 1
936 1 89 GLN H 1 90 GLN H 4.890 . 4.890 3.683 1.956 4.495 . 0 0 "[ . 1 . 2]" 1
937 1 90 GLN QG 1 91 THR H 6.380 . 6.380 3.667 2.575 4.856 . 0 0 "[ . 1 . 2]" 1
938 2 33 GLY QA 2 34 VAL H 3.850 . 3.850 2.309 2.147 2.420 . 0 0 "[ . 1 . 2]" 1
939 2 33 GLY QA 2 34 VAL QG 8.030 . 8.030 3.386 3.132 3.721 . 0 0 "[ . 1 . 2]" 1
940 2 34 VAL H 2 34 VAL HB 3.270 . 3.270 2.915 2.363 3.275 0.005 1 0 "[ . 1 . 2]" 1
941 2 34 VAL HA 2 35 ILE H 3.360 . 3.360 3.383 3.365 3.400 0.040 6 0 "[ . 1 . 2]" 1
942 2 34 VAL QG 2 35 ILE H 5.940 . 5.940 2.362 1.857 2.988 . 0 0 "[ . 1 . 2]" 1
943 2 34 VAL MG1 2 35 ILE H 5.520 . 5.520 2.661 2.190 3.310 . 0 0 "[ . 1 . 2]" 1
944 2 34 VAL MG2 2 35 ILE H 5.520 . 5.520 2.841 1.958 3.523 . 0 0 "[ . 1 . 2]" 1
945 2 35 ILE H 2 35 ILE HB 4.140 . 4.140 2.228 1.966 2.518 . 0 0 "[ . 1 . 2]" 1
946 2 35 ILE HA 2 36 ASP H 3.420 . 3.420 2.169 2.095 2.220 . 0 0 "[ . 1 . 2]" 1
947 2 35 ILE HA 2 37 LEU QD 7.770 . 7.770 4.670 4.015 5.445 . 0 0 "[ . 1 . 2]" 1
948 2 35 ILE HB 2 37 LEU QD 7.050 . 7.050 3.904 3.641 4.280 . 0 0 "[ . 1 . 2]" 1
949 2 35 ILE MD 2 36 ASP H 6.580 . 6.580 5.317 4.947 5.530 . 0 0 "[ . 1 . 2]" 1
950 2 35 ILE MG 2 36 ASP H 5.740 . 5.740 3.079 2.873 3.246 . 0 0 "[ . 1 . 2]" 1
951 2 35 ILE MG 2 36 ASP HA 6.110 . 6.110 3.633 3.361 3.965 . 0 0 "[ . 1 . 2]" 1
952 2 36 ASP H 2 36 ASP HB2 3.830 . 3.830 2.544 2.298 2.927 . 0 0 "[ . 1 . 2]" 1
953 2 36 ASP H 2 36 ASP HB3 3.830 . 3.830 3.339 2.212 3.719 . 0 0 "[ . 1 . 2]" 1
954 2 39 MET HA 2 40 ASP QB 5.530 . 5.530 4.555 3.975 4.837 . 0 0 "[ . 1 . 2]" 1
955 2 40 ASP H 2 41 ASP QB 5.460 . 5.460 4.623 4.031 4.913 . 0 0 "[ . 1 . 2]" 1
956 2 40 ASP QB 2 41 ASP H 5.560 . 5.560 3.045 1.805 4.098 . 0 0 "[ . 1 . 2]" 1
957 2 40 ASP QB 2 42 GLU H 5.900 . 5.900 4.815 3.345 5.326 . 0 0 "[ . 1 . 2]" 1
958 2 41 ASP H 2 41 ASP HA 2.860 . 2.860 2.528 2.088 2.879 0.019 18 0 "[ . 1 . 2]" 1
959 2 41 ASP HA 2 42 GLU H 2.800 . 2.800 2.585 2.059 2.818 0.018 13 0 "[ . 1 . 2]" 1
960 2 41 ASP QB 2 42 GLU H 5.800 . 5.800 3.260 1.886 4.119 . 0 0 "[ . 1 . 2]" 1
961 2 41 ASP QB 2 43 GLU HA 6.180 . 6.180 5.210 4.080 5.570 . 0 0 "[ . 1 . 2]" 1
962 2 43 GLU H 2 43 GLU HA 2.680 . 2.680 2.684 2.176 2.740 0.060 14 0 "[ . 1 . 2]" 1
963 2 43 GLU H 2 43 GLU HB2 3.140 . 3.140 2.643 1.916 3.164 0.024 13 0 "[ . 1 . 2]" 1
964 2 43 GLU H 2 43 GLU QB 3.620 . 3.620 2.305 1.900 2.800 . 0 0 "[ . 1 . 2]" 1
965 2 43 GLU H 2 43 GLU HB3 3.140 . 3.140 2.643 2.274 3.150 0.010 2 0 "[ . 1 . 2]" 1
966 2 43 GLU HA 2 43 GLU HB2 2.800 . 2.800 2.456 2.264 2.804 0.004 10 0 "[ . 1 . 2]" 1
967 2 43 GLU HA 2 43 GLU HB3 2.800 . 2.800 2.789 2.197 2.861 0.061 11 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 3:46:56 PM GMT (wattos1)