NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379437 |
1hx2   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hx2
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 832
_Distance_constraint_stats_list.Viol_count 1175
_Distance_constraint_stats_list.Viol_total 1102.655
_Distance_constraint_stats_list.Viol_max 0.748
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0469
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 0.081 0.060 7 0 "[ . 1 . 2]"
1 2 PHE 0.781 0.077 8 0 "[ . 1 . 2]"
1 3 VAL 1.576 0.081 1 0 "[ . 1 . 2]"
1 4 CYS 2.055 0.087 20 0 "[ . 1 . 2]"
1 5 PRO 8.566 0.748 5 7 "[ *+-** 1 ** 2]"
1 6 PRO 0.470 0.076 7 0 "[ . 1 . 2]"
1 7 GLY 0.208 0.076 7 0 "[ . 1 . 2]"
1 8 GLN 9.645 0.748 5 7 "[ *+-** 1 ** 2]"
1 9 THR 1.130 0.102 4 0 "[ . 1 . 2]"
1 10 PHE 1.533 0.102 4 0 "[ . 1 . 2]"
1 11 GLN 2.767 0.157 12 0 "[ . 1 . 2]"
1 12 THR 0.268 0.039 4 0 "[ . 1 . 2]"
1 13 CYS 0.265 0.043 12 0 "[ . 1 . 2]"
1 14 ALA 0.713 0.083 5 0 "[ . 1 . 2]"
1 15 SER 1.305 0.112 8 0 "[ . 1 . 2]"
1 16 SER 1.259 0.123 8 0 "[ . 1 . 2]"
1 17 CYS 1.302 0.112 8 0 "[ . 1 . 2]"
1 18 PRO 0.468 0.050 20 0 "[ . 1 . 2]"
1 19 LYS 1.846 0.104 14 0 "[ . 1 . 2]"
1 20 THR 0.674 0.077 3 0 "[ . 1 . 2]"
1 21 CYS 0.816 0.084 14 0 "[ . 1 . 2]"
1 22 GLU 2.274 0.091 17 0 "[ . 1 . 2]"
1 23 THR 2.637 0.187 13 0 "[ . 1 . 2]"
1 24 ARG 1.941 0.187 13 0 "[ . 1 . 2]"
1 25 ASN 1.888 0.089 12 0 "[ . 1 . 2]"
1 26 LYS 2.734 0.167 1 0 "[ . 1 . 2]"
1 27 LEU 2.940 0.167 1 0 "[ . 1 . 2]"
1 28 VAL 3.128 0.175 20 0 "[ . 1 . 2]"
1 29 LEU 5.295 0.187 6 0 "[ . 1 . 2]"
1 30 CYS 3.048 0.187 6 0 "[ . 1 . 2]"
1 31 ASP 1.053 0.130 13 0 "[ . 1 . 2]"
1 32 LYS 0.523 0.056 6 0 "[ . 1 . 2]"
1 33 LYS 1.070 0.089 1 0 "[ . 1 . 2]"
1 34 CYS 2.798 0.096 2 0 "[ . 1 . 2]"
1 35 ASN 5.386 0.123 8 0 "[ . 1 . 2]"
1 36 GLN 1.645 0.157 12 0 "[ . 1 . 2]"
1 37 ARG 2.327 0.095 10 0 "[ . 1 . 2]"
1 38 CYS 1.933 0.077 18 0 "[ . 1 . 2]"
1 39 GLY 0.868 0.106 13 0 "[ . 1 . 2]"
1 40 CYS 1.390 0.089 13 0 "[ . 1 . 2]"
1 41 ILE 4.809 0.121 3 0 "[ . 1 . 2]"
1 42 SER 3.752 0.121 3 0 "[ . 1 . 2]"
1 43 GLY 0.253 0.034 6 0 "[ . 1 . 2]"
1 44 THR 2.732 0.081 19 0 "[ . 1 . 2]"
1 45 VAL 1.133 0.081 19 0 "[ . 1 . 2]"
1 46 LEU 0.203 0.041 7 0 "[ . 1 . 2]"
1 47 LYS 0.179 0.059 19 0 "[ . 1 . 2]"
1 48 SER 3.820 0.143 2 0 "[ . 1 . 2]"
1 49 LYS 0.286 0.038 15 0 "[ . 1 . 2]"
1 50 ASP 1.805 0.143 2 0 "[ . 1 . 2]"
1 51 SER 1.691 0.095 19 0 "[ . 1 . 2]"
1 52 SER 1.234 0.079 11 0 "[ . 1 . 2]"
1 53 GLU 0.115 0.022 11 0 "[ . 1 . 2]"
1 54 CYS 0.235 0.036 8 0 "[ . 1 . 2]"
1 55 VAL 2.254 0.141 4 0 "[ . 1 . 2]"
1 56 HIS 0.090 0.026 3 0 "[ . 1 . 2]"
1 57 PRO 0.005 0.005 12 0 "[ . 1 . 2]"
1 58 SER 0.021 0.015 13 0 "[ . 1 . 2]"
1 59 LYS 0.656 0.049 2 0 "[ . 1 . 2]"
1 60 CYS 2.390 0.141 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN HA 1 2 PHE H 2.525 . 3.150 2.450 2.109 3.210 0.060 7 0 "[ . 1 . 2]" 1
2 1 2 PHE H 1 3 VAL H 2.895 . 3.890 3.190 1.898 3.966 0.076 20 0 "[ . 1 . 2]" 1
3 1 2 PHE H 1 3 VAL QG 4.710 . 7.620 3.824 2.555 5.073 . 0 0 "[ . 1 . 2]" 1
4 1 2 PHE HA 1 3 VAL H 2.385 . 2.870 2.606 1.997 2.947 0.077 8 0 "[ . 1 . 2]" 1
5 1 2 PHE HA 1 3 VAL QG 4.710 . 7.620 3.844 3.211 4.394 . 0 0 "[ . 1 . 2]" 1
6 1 2 PHE QB 1 3 VAL HA 4.090 . 6.380 4.668 4.336 4.977 . 0 0 "[ . 1 . 2]" 1
7 1 2 PHE QB 1 37 ARG HA 4.090 . 6.380 3.280 2.046 5.307 . 0 0 "[ . 1 . 2]" 1
8 1 2 PHE HB2 1 3 VAL H 3.410 . 4.920 4.276 3.446 4.537 . 0 0 "[ . 1 . 2]" 1
9 1 2 PHE HB3 1 3 VAL H 3.410 . 4.920 4.179 2.440 4.615 . 0 0 "[ . 1 . 2]" 1
10 1 2 PHE QD 1 3 VAL H 4.710 . 7.620 4.090 2.196 4.900 . 0 0 "[ . 1 . 2]" 1
11 1 2 PHE QD 1 3 VAL HA 4.710 . 7.620 4.840 3.724 6.244 . 0 0 "[ . 1 . 2]" 1
12 1 2 PHE QD 1 3 VAL QG 5.770 . 9.740 4.477 3.288 5.170 . 0 0 "[ . 1 . 2]" 1
13 1 2 PHE QD 1 10 PHE QB 5.150 . 8.500 4.600 2.246 5.718 . 0 0 "[ . 1 . 2]" 1
14 1 2 PHE QE 1 3 VAL QG 5.770 . 9.740 5.165 3.185 6.340 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL H 1 4 CYS H 3.240 . 4.580 4.502 4.325 4.587 0.007 18 0 "[ . 1 . 2]" 1
16 1 3 VAL HA 1 4 CYS H 2.295 . 2.690 2.141 2.035 2.373 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL HA 1 4 CYS HA 3.650 . 5.500 4.402 4.318 4.479 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL HA 1 4 CYS HB2 3.070 . 4.240 4.270 4.134 4.321 0.081 1 0 "[ . 1 . 2]" 1
19 1 3 VAL HB 1 4 CYS H 2.975 . 4.050 3.741 2.200 4.066 0.016 6 0 "[ . 1 . 2]" 1
20 1 3 VAL QG 1 4 CYS H 4.200 . 6.600 2.469 2.179 3.297 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL QG 1 4 CYS HA 4.710 . 7.620 3.659 3.221 4.118 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL QG 1 4 CYS HB2 4.710 . 7.620 4.153 3.385 4.874 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL QG 1 5 PRO HA 4.710 . 7.620 4.729 4.203 5.538 . 0 0 "[ . 1 . 2]" 1
24 1 4 CYS H 1 5 PRO HA 3.650 . 5.500 5.266 4.981 5.506 0.006 9 0 "[ . 1 . 2]" 1
25 1 4 CYS HA 1 5 PRO HD2 2.570 . 3.240 3.203 3.087 3.268 0.028 13 0 "[ . 1 . 2]" 1
26 1 4 CYS HA 1 5 PRO HD3 2.665 . 3.430 2.091 1.997 2.229 . 0 0 "[ . 1 . 2]" 1
27 1 4 CYS HA 1 5 PRO HG2 3.650 . 5.500 4.719 4.618 4.855 . 0 0 "[ . 1 . 2]" 1
28 1 4 CYS HA 1 5 PRO HG3 3.425 . 4.950 4.083 3.919 4.241 . 0 0 "[ . 1 . 2]" 1
29 1 4 CYS HA 1 8 GLN HB2 3.395 . 4.890 4.202 3.802 4.630 . 0 0 "[ . 1 . 2]" 1
30 1 4 CYS HA 1 38 CYS QB 4.090 . 6.380 3.500 2.739 5.009 . 0 0 "[ . 1 . 2]" 1
31 1 4 CYS HB2 1 5 PRO HD2 3.550 . 5.200 3.811 3.590 4.017 . 0 0 "[ . 1 . 2]" 1
32 1 4 CYS HB2 1 5 PRO HD3 2.990 . 4.080 4.075 3.865 4.167 0.087 20 0 "[ . 1 . 2]" 1
33 1 4 CYS HB2 1 8 GLN H 3.485 . 5.070 4.614 4.230 5.137 0.067 11 0 "[ . 1 . 2]" 1
34 1 4 CYS HB2 1 8 GLN HB2 3.525 . 5.250 3.549 3.088 3.809 . 0 0 "[ . 1 . 2]" 1
35 1 4 CYS HB2 1 8 GLN QB 3.435 . 4.970 3.372 2.823 3.686 . 0 0 "[ . 1 . 2]" 1
36 1 4 CYS HB2 1 8 GLN HB3 3.525 . 5.250 4.272 3.232 4.954 . 0 0 "[ . 1 . 2]" 1
37 1 4 CYS HB2 1 8 GLN QG 4.090 . 6.380 5.467 4.933 5.711 . 0 0 "[ . 1 . 2]" 1
38 1 4 CYS HB2 1 9 THR H 3.650 . 5.500 4.856 4.175 5.502 0.002 9 0 "[ . 1 . 2]" 1
39 1 4 CYS HB2 1 9 THR HA 3.380 . 4.860 3.434 2.651 4.072 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS HB2 1 10 PHE H 3.650 . 5.500 5.265 4.784 5.531 0.031 11 0 "[ . 1 . 2]" 1
41 1 4 CYS HB2 1 38 CYS QB 3.840 . 5.880 4.139 3.008 4.657 . 0 0 "[ . 1 . 2]" 1
42 1 4 CYS HB3 1 5 PRO HD2 2.835 . 3.770 2.188 1.914 2.415 . 0 0 "[ . 1 . 2]" 1
43 1 4 CYS HB3 1 8 GLN QB 3.355 . 4.810 2.048 1.895 2.174 0.005 3 0 "[ . 1 . 2]" 1
44 1 4 CYS HB3 1 8 GLN QE 4.085 . 6.370 4.305 3.720 5.428 . 0 0 "[ . 1 . 2]" 1
45 1 4 CYS HB3 1 8 GLN QG 4.055 . 6.310 4.160 3.920 4.324 . 0 0 "[ . 1 . 2]" 1
46 1 4 CYS HB3 1 9 THR HA 3.650 . 5.500 4.175 3.859 4.977 . 0 0 "[ . 1 . 2]" 1
47 1 5 PRO HA 1 6 PRO HB3 3.650 . 5.500 5.258 5.146 5.389 . 0 0 "[ . 1 . 2]" 1
48 1 5 PRO HA 1 6 PRO HD3 2.540 . 3.180 2.890 2.772 3.014 . 0 0 "[ . 1 . 2]" 1
49 1 5 PRO HA 1 6 PRO HG3 3.550 . 5.200 4.733 4.636 4.826 . 0 0 "[ . 1 . 2]" 1
50 1 5 PRO QB 1 6 PRO HD2 2.835 . 3.770 2.006 1.945 2.028 . 0 0 "[ . 1 . 2]" 1
51 1 5 PRO QB 1 6 PRO HD3 2.835 . 3.770 3.407 3.375 3.429 . 0 0 "[ . 1 . 2]" 1
52 1 5 PRO QB 1 6 PRO HG2 2.835 . 3.770 2.847 2.815 2.903 . 0 0 "[ . 1 . 2]" 1
53 1 5 PRO QB 1 6 PRO HG3 3.650 . 4.210 3.911 3.869 3.950 . 0 0 "[ . 1 . 2]" 1
54 1 5 PRO QB 1 8 GLN H 3.650 . 5.500 4.279 3.467 4.744 . 0 0 "[ . 1 . 2]" 1
55 1 5 PRO QB 1 8 GLN HE21 3.650 . 5.500 3.452 2.513 4.554 . 0 0 "[ . 1 . 2]" 1
56 1 5 PRO QB 1 8 GLN QE 4.085 . 6.370 3.164 2.137 4.049 . 0 0 "[ . 1 . 2]" 1
57 1 5 PRO QB 1 8 GLN HE22 3.650 . 5.500 3.908 2.251 5.189 . 0 0 "[ . 1 . 2]" 1
58 1 5 PRO QB 1 8 GLN QG 2.995 . 4.090 4.454 3.972 4.838 0.748 5 7 "[ *+-** 1 ** 2]" 1
59 1 5 PRO QB 1 52 SER HA 3.650 . 5.500 4.018 3.204 4.682 . 0 0 "[ . 1 . 2]" 1
60 1 5 PRO HD2 1 38 CYS QB 4.030 . 6.260 4.871 3.920 5.635 . 0 0 "[ . 1 . 2]" 1
61 1 5 PRO HD3 1 8 GLN H 3.650 . 5.500 5.455 5.057 5.561 0.061 12 0 "[ . 1 . 2]" 1
62 1 5 PRO HD3 1 8 GLN QB 4.090 . 6.380 3.415 3.177 3.780 . 0 0 "[ . 1 . 2]" 1
63 1 5 PRO HD3 1 8 GLN HE21 3.650 . 5.500 4.116 3.375 5.510 0.010 7 0 "[ . 1 . 2]" 1
64 1 5 PRO HD3 1 8 GLN HE22 3.650 . 5.500 4.339 3.626 5.383 . 0 0 "[ . 1 . 2]" 1
65 1 5 PRO HD3 1 8 GLN QG 4.090 . 6.380 4.658 3.853 5.225 . 0 0 "[ . 1 . 2]" 1
66 1 5 PRO HD3 1 38 CYS QB 4.030 . 6.260 4.320 3.156 5.619 . 0 0 "[ . 1 . 2]" 1
67 1 5 PRO HG2 1 8 GLN HE21 3.650 . 5.500 2.588 1.823 3.833 . 0 0 "[ . 1 . 2]" 1
68 1 5 PRO HG2 1 8 GLN QE 3.540 . 5.280 2.323 1.798 3.065 0.002 10 0 "[ . 1 . 2]" 1
69 1 5 PRO HG2 1 8 GLN HE22 3.650 . 5.500 2.950 2.136 3.592 . 0 0 "[ . 1 . 2]" 1
70 1 5 PRO HG2 1 52 SER QB 4.090 . 6.380 3.476 2.377 4.356 . 0 0 "[ . 1 . 2]" 1
71 1 5 PRO HG3 1 52 SER QB 4.090 . 6.380 4.061 2.841 4.993 . 0 0 "[ . 1 . 2]" 1
72 1 6 PRO HB2 1 7 GLY H 2.945 . 3.990 2.967 2.056 3.479 . 0 0 "[ . 1 . 2]" 1
73 1 6 PRO HB3 1 7 GLY H 2.805 . 3.710 3.664 3.506 3.786 0.076 7 0 "[ . 1 . 2]" 1
74 1 6 PRO HB3 1 7 GLY QA 4.090 . 6.380 4.909 4.822 4.972 . 0 0 "[ . 1 . 2]" 1
75 1 6 PRO HB3 1 8 GLN H 3.650 . 5.500 5.489 5.350 5.566 0.066 19 0 "[ . 1 . 2]" 1
76 1 6 PRO HG2 1 7 GLY H 3.650 . 5.500 3.981 2.020 4.979 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY H 1 8 GLN H 2.510 . 3.120 2.911 2.530 3.130 0.010 20 0 "[ . 1 . 2]" 1
78 1 7 GLY H 1 41 ILE MD 4.165 . 6.530 4.545 3.739 5.305 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLY QA 1 8 GLN QG 4.530 . 7.260 3.593 3.111 4.404 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLY QA 1 41 ILE MD 3.790 . 5.780 3.205 2.705 3.798 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLY QA 1 41 ILE QG 4.525 . 7.250 3.767 3.075 4.853 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLY QA 1 53 GLU HA 2.640 . 3.380 2.524 2.074 2.649 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLY HA2 1 8 GLN H 2.805 . 3.710 3.406 3.108 3.490 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLY HA2 1 41 ILE MD 4.165 . 6.530 3.291 2.752 3.924 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLY HA3 1 8 GLN H 2.805 . 3.710 3.205 3.002 3.450 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLY HA3 1 41 ILE MD 4.165 . 6.530 4.441 3.895 5.064 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLN H 1 9 THR H 3.540 . 5.280 4.429 4.324 4.486 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLN H 1 9 THR MG 4.165 . 6.530 4.919 3.801 5.496 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLN H 1 40 CYS HA 3.510 . 5.220 4.844 4.677 5.216 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLN H 1 41 ILE H 3.650 . 5.500 5.527 5.383 5.572 0.072 13 0 "[ . 1 . 2]" 1
91 1 8 GLN H 1 41 ILE MD 4.165 . 6.530 4.048 3.389 5.065 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLN HA 1 9 THR H 2.415 . 2.930 2.204 2.075 2.342 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLN HA 1 40 CYS H 3.565 . 5.230 4.467 4.135 4.824 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLN HA 1 40 CYS HA 3.650 . 5.500 2.204 1.983 2.477 . 0 0 "[ . 1 . 2]" 1
95 1 8 GLN HA 1 40 CYS HB2 3.650 . 5.500 5.199 4.966 5.497 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLN HA 1 41 ILE H 2.695 . 3.490 3.174 2.923 3.402 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLN HA 1 41 ILE HA 3.650 . 5.500 4.666 4.446 4.863 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLN HA 1 41 ILE MD 4.165 . 6.530 3.268 2.046 4.369 . 0 0 "[ . 1 . 2]" 1
99 1 8 GLN HA 1 41 ILE QG 4.090 . 6.380 3.395 2.465 4.054 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLN HA 1 41 ILE MG 4.165 . 6.530 5.372 5.148 5.500 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLN QB 1 9 THR H 2.775 . 3.650 2.616 2.104 2.997 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLN QB 1 40 CYS H 4.090 . 6.380 4.143 3.825 4.651 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLN QB 1 40 CYS HA 3.890 . 5.980 3.397 3.122 3.755 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLN QB 1 41 ILE H 4.090 . 6.380 5.005 4.689 5.238 . 0 0 "[ . 1 . 2]" 1
105 1 8 GLN QB 1 46 LEU QD 5.390 . 8.980 4.331 4.054 4.630 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLN HB2 1 9 THR H 3.055 . 4.210 3.752 3.348 4.057 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLN HB3 1 9 THR H 3.055 . 4.210 2.671 2.126 3.087 . 0 0 "[ . 1 . 2]" 1
108 1 8 GLN QE 1 46 LEU QD 3.980 . 6.160 2.463 1.759 3.175 0.041 7 0 "[ . 1 . 2]" 1
109 1 8 GLN QE 1 52 SER HA 3.015 . 4.130 2.542 2.261 2.828 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLN HE21 1 46 LEU MD1 5.020 . 8.240 2.834 1.781 3.696 0.019 7 0 "[ . 1 . 2]" 1
111 1 8 GLN HE21 1 46 LEU MD2 5.020 . 8.240 4.570 3.847 5.126 . 0 0 "[ . 1 . 2]" 1
112 1 8 GLN HE21 1 52 SER H 3.650 . 5.500 5.166 4.377 5.558 0.058 1 0 "[ . 1 . 2]" 1
113 1 8 GLN HE21 1 52 SER HA 3.115 . 4.330 2.973 2.602 3.281 . 0 0 "[ . 1 . 2]" 1
114 1 8 GLN HE21 1 52 SER HB2 3.650 . 5.500 4.717 3.991 5.438 . 0 0 "[ . 1 . 2]" 1
115 1 8 GLN HE21 1 52 SER HB3 3.650 . 5.500 5.149 4.188 5.555 0.055 7 0 "[ . 1 . 2]" 1
116 1 8 GLN HE21 1 53 GLU HA 3.650 . 5.500 3.845 3.036 4.761 . 0 0 "[ . 1 . 2]" 1
117 1 8 GLN HE22 1 46 LEU MD1 5.020 . 8.240 2.832 2.464 3.560 . 0 0 "[ . 1 . 2]" 1
118 1 8 GLN HE22 1 46 LEU MD2 5.020 . 8.240 4.185 3.379 5.464 . 0 0 "[ . 1 . 2]" 1
119 1 8 GLN HE22 1 52 SER H 3.650 . 5.500 5.110 4.475 5.515 0.015 9 0 "[ . 1 . 2]" 1
120 1 8 GLN HE22 1 52 SER HA 3.115 . 4.330 2.772 2.388 3.096 . 0 0 "[ . 1 . 2]" 1
121 1 8 GLN HE22 1 52 SER HB2 3.650 . 5.500 4.686 3.899 5.544 0.044 18 0 "[ . 1 . 2]" 1
122 1 8 GLN HE22 1 52 SER HB3 3.650 . 5.500 5.029 3.722 5.522 0.022 2 0 "[ . 1 . 2]" 1
123 1 8 GLN HE22 1 53 GLU HA 3.650 . 5.500 4.439 2.509 5.522 0.022 11 0 "[ . 1 . 2]" 1
124 1 8 GLN QG 1 9 THR H 4.090 . 6.380 3.913 3.637 4.083 . 0 0 "[ . 1 . 2]" 1
125 1 8 GLN QG 1 40 CYS HA 4.090 . 6.380 2.345 2.060 2.731 . 0 0 "[ . 1 . 2]" 1
126 1 8 GLN QG 1 41 ILE H 4.090 . 6.380 4.215 4.007 4.633 . 0 0 "[ . 1 . 2]" 1
127 1 8 GLN QG 1 41 ILE MD 4.600 . 7.400 4.764 3.640 5.491 . 0 0 "[ . 1 . 2]" 1
128 1 9 THR H 1 11 GLN HE21 3.650 . 5.500 3.953 2.679 4.973 . 0 0 "[ . 1 . 2]" 1
129 1 9 THR H 1 11 GLN HE22 3.650 . 5.500 4.490 2.071 5.521 0.021 17 0 "[ . 1 . 2]" 1
130 1 9 THR H 1 38 CYS QB 4.090 . 6.380 5.229 4.857 5.704 . 0 0 "[ . 1 . 2]" 1
131 1 9 THR H 1 39 GLY H 3.055 . 4.210 2.944 2.768 3.225 . 0 0 "[ . 1 . 2]" 1
132 1 9 THR H 1 39 GLY QA 4.090 . 6.380 4.215 4.057 4.417 . 0 0 "[ . 1 . 2]" 1
133 1 9 THR H 1 40 CYS H 4.005 3.100 4.910 4.784 4.482 4.925 0.015 20 0 "[ . 1 . 2]" 1
134 1 9 THR H 1 40 CYS HA 3.535 . 5.170 3.451 3.086 3.804 . 0 0 "[ . 1 . 2]" 1
135 1 9 THR H 1 41 ILE H 3.440 . 4.980 4.242 3.934 4.511 . 0 0 "[ . 1 . 2]" 1
136 1 9 THR H 1 41 ILE QG 4.090 . 6.380 4.093 3.071 5.060 . 0 0 "[ . 1 . 2]" 1
137 1 9 THR H 1 41 ILE MG 4.165 . 6.530 5.250 4.957 5.364 . 0 0 "[ . 1 . 2]" 1
138 1 9 THR HA 1 10 PHE H 2.495 . 3.090 2.488 2.272 2.727 . 0 0 "[ . 1 . 2]" 1
139 1 9 THR HB 1 10 PHE H 2.710 . 3.520 3.173 2.107 3.622 0.102 4 0 "[ . 1 . 2]" 1
140 1 9 THR HB 1 10 PHE QB 4.090 . 6.380 4.850 3.704 5.420 . 0 0 "[ . 1 . 2]" 1
141 1 9 THR HB 1 41 ILE MD 3.790 . 5.780 3.699 2.280 4.744 . 0 0 "[ . 1 . 2]" 1
142 1 9 THR HB 1 41 ILE MG 4.165 . 6.530 4.581 3.383 5.250 . 0 0 "[ . 1 . 2]" 1
143 1 9 THR MG 1 10 PHE H 3.605 . 5.410 3.257 1.764 3.869 0.036 12 0 "[ . 1 . 2]" 1
144 1 9 THR MG 1 10 PHE QB 4.600 . 7.400 4.355 3.187 5.252 . 0 0 "[ . 1 . 2]" 1
145 1 9 THR MG 1 11 GLN HE21 3.945 . 6.090 3.782 2.335 5.084 . 0 0 "[ . 1 . 2]" 1
146 1 9 THR MG 1 11 GLN QE 3.805 . 5.810 3.363 1.913 4.338 . 0 0 "[ . 1 . 2]" 1
147 1 9 THR MG 1 11 GLN HE22 3.945 . 6.090 4.026 2.031 5.035 . 0 0 "[ . 1 . 2]" 1
148 1 9 THR MG 1 41 ILE MD 4.075 . 6.350 2.535 1.800 4.135 . 1 0 "[ . 1 . 2]" 1
149 1 10 PHE H 1 11 GLN H 3.270 . 4.640 4.634 4.450 4.698 0.058 4 0 "[ . 1 . 2]" 1
150 1 10 PHE H 1 38 CYS HA 3.410 . 4.920 4.489 4.165 4.787 . 0 0 "[ . 1 . 2]" 1
151 1 10 PHE HA 1 11 GLN H 2.540 . 3.180 2.280 2.115 2.558 . 0 0 "[ . 1 . 2]" 1
152 1 10 PHE HA 1 38 CYS H 3.425 . 4.950 4.476 3.434 4.782 . 0 0 "[ . 1 . 2]" 1
153 1 10 PHE HA 1 38 CYS HA 2.680 . 3.460 2.394 1.895 3.160 0.005 16 0 "[ . 1 . 2]" 1
154 1 10 PHE QB 1 37 ARG HA 4.090 . 6.380 5.420 4.161 5.739 . 0 0 "[ . 1 . 2]" 1
155 1 10 PHE QD 1 11 GLN H 4.710 . 7.620 2.992 2.577 3.722 . 0 0 "[ . 1 . 2]" 1
156 1 10 PHE QD 1 11 GLN QB 5.150 . 8.500 4.845 4.596 5.325 . 0 0 "[ . 1 . 2]" 1
157 1 10 PHE QD 1 12 THR HA 4.710 . 7.620 4.914 4.166 5.518 . 0 0 "[ . 1 . 2]" 1
158 1 10 PHE QD 1 12 THR MG 5.145 . 8.490 5.237 3.472 6.281 . 0 0 "[ . 1 . 2]" 1
159 1 10 PHE QD 1 37 ARG HA 4.710 . 7.620 3.273 2.578 3.869 . 0 0 "[ . 1 . 2]" 1
160 1 10 PHE QD 1 38 CYS H 4.710 . 7.620 4.517 3.924 5.239 . 0 0 "[ . 1 . 2]" 1
161 1 10 PHE QD 1 38 CYS HA 4.710 . 7.620 3.997 3.403 5.457 . 0 0 "[ . 1 . 2]" 1
162 1 10 PHE QE 1 11 GLN H 4.710 . 7.620 3.842 3.448 4.672 . 0 0 "[ . 1 . 2]" 1
163 1 10 PHE QE 1 12 THR HA 4.710 . 7.620 3.618 2.843 4.388 . 0 0 "[ . 1 . 2]" 1
164 1 10 PHE QE 1 12 THR HB 4.710 . 7.620 4.273 2.134 6.246 . 0 0 "[ . 1 . 2]" 1
165 1 10 PHE QE 1 12 THR MG 4.620 . 7.440 4.231 2.464 5.344 . 0 0 "[ . 1 . 2]" 1
166 1 10 PHE QE 1 36 GLN HA 4.710 . 7.620 3.671 3.124 4.370 . 0 0 "[ . 1 . 2]" 1
167 1 10 PHE QE 1 36 GLN QB 5.150 . 8.500 2.912 2.201 4.122 . 0 0 "[ . 1 . 2]" 1
168 1 10 PHE QE 1 37 ARG H 4.710 . 7.620 3.919 3.499 4.697 . 0 0 "[ . 1 . 2]" 1
169 1 10 PHE QE 1 37 ARG HA 4.120 . 6.440 2.916 2.216 3.701 . 0 0 "[ . 1 . 2]" 1
170 1 10 PHE QE 1 38 CYS H 4.710 . 7.620 5.300 4.568 6.098 . 0 0 "[ . 1 . 2]" 1
171 1 11 GLN H 1 36 GLN HA 3.070 . 4.240 4.315 4.245 4.397 0.157 12 0 "[ . 1 . 2]" 1
172 1 11 GLN H 1 38 CYS HA 3.595 . 5.290 3.401 2.909 3.992 . 0 0 "[ . 1 . 2]" 1
173 1 11 GLN HA 1 12 THR H 2.480 . 3.060 2.238 2.085 2.488 . 0 0 "[ . 1 . 2]" 1
174 1 11 GLN HA 1 12 THR HA 3.380 . 4.860 4.370 4.246 4.487 . 0 0 "[ . 1 . 2]" 1
175 1 11 GLN HA 1 12 THR MG 4.025 . 6.250 4.338 3.280 5.330 . 0 0 "[ . 1 . 2]" 1
176 1 11 GLN HA 1 13 CYS H 3.225 . 4.550 4.227 3.805 4.571 0.021 4 0 "[ . 1 . 2]" 1
177 1 11 GLN QB 1 12 THR MG 4.600 . 7.400 4.917 3.835 5.574 . 0 0 "[ . 1 . 2]" 1
178 1 11 GLN QB 1 14 ALA HA 4.090 . 6.380 4.981 4.216 5.641 . 0 0 "[ . 1 . 2]" 1
179 1 11 GLN QB 1 14 ALA MB 3.735 . 5.670 2.604 1.916 3.210 . 0 0 "[ . 1 . 2]" 1
180 1 11 GLN QB 1 39 GLY H 3.640 . 5.480 3.929 2.722 4.869 . 0 0 "[ . 1 . 2]" 1
181 1 11 GLN QB 1 39 GLY QA 4.530 . 7.260 3.053 2.120 3.765 . 0 0 "[ . 1 . 2]" 1
182 1 11 GLN QE 1 40 CYS H 4.085 . 6.370 4.140 3.752 4.410 . 0 0 "[ . 1 . 2]" 1
183 1 11 GLN HE21 1 39 GLY H 3.650 . 5.500 4.039 3.047 5.212 . 0 0 "[ . 1 . 2]" 1
184 1 11 GLN HE21 1 39 GLY HA2 3.650 . 5.500 4.772 3.956 5.524 0.024 7 0 "[ . 1 . 2]" 1
185 1 11 GLN HE21 1 39 GLY HA3 3.650 . 5.500 3.435 2.523 4.241 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLN HE21 1 41 ILE HA 3.650 . 5.500 3.788 3.064 4.109 . 0 0 "[ . 1 . 2]" 1
187 1 11 GLN HE21 1 41 ILE MG 4.165 . 6.530 5.215 4.698 5.438 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLN HE21 1 42 SER H 3.650 . 5.500 5.042 4.149 5.529 0.029 14 0 "[ . 1 . 2]" 1
189 1 11 GLN HE22 1 39 GLY H 3.650 . 5.500 4.972 3.229 5.544 0.044 3 0 "[ . 1 . 2]" 1
190 1 11 GLN HE22 1 39 GLY HA2 3.650 . 5.500 5.313 4.947 5.606 0.106 13 0 "[ . 1 . 2]" 1
191 1 11 GLN HE22 1 39 GLY HA3 3.650 . 5.500 4.055 3.555 4.494 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLN HE22 1 41 ILE HA 3.650 . 5.500 3.315 2.359 4.061 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLN HE22 1 41 ILE MG 4.165 . 6.530 4.769 3.968 5.415 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLN HE22 1 42 SER H 3.650 . 5.500 4.283 3.582 5.379 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLN QG 1 14 ALA MB 4.605 . 7.410 3.085 1.883 4.700 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLN QG 1 28 VAL HB 3.995 . 6.190 4.773 2.906 5.627 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLN QG 1 39 GLY QA 4.525 . 7.250 3.304 1.974 4.907 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLN HG2 1 12 THR H 3.650 . 5.500 4.278 2.491 5.120 . 0 0 "[ . 1 . 2]" 1
199 1 11 GLN HG3 1 12 THR H 3.650 . 5.500 3.736 2.124 5.027 . 0 0 "[ . 1 . 2]" 1
200 1 12 THR H 1 13 CYS H 2.525 . 3.150 2.423 2.051 2.683 . 0 0 "[ . 1 . 2]" 1
201 1 12 THR HA 1 36 GLN HA 2.635 . 3.370 2.368 2.073 2.891 . 0 0 "[ . 1 . 2]" 1
202 1 12 THR HA 1 37 ARG H 3.055 . 4.210 4.138 3.792 4.249 0.039 4 0 "[ . 1 . 2]" 1
203 1 12 THR HB 1 13 CYS H 2.990 . 4.080 3.425 2.284 4.087 0.007 19 0 "[ . 1 . 2]" 1
204 1 12 THR MG 1 13 CYS H 4.165 . 6.530 2.835 1.801 3.921 . 0 0 "[ . 1 . 2]" 1
205 1 12 THR MG 1 13 CYS HB2 4.165 . 6.530 3.642 2.696 5.317 . 0 0 "[ . 1 . 2]" 1
206 1 12 THR MG 1 13 CYS HB3 4.165 . 6.530 4.452 2.899 5.477 . 0 0 "[ . 1 . 2]" 1
207 1 12 THR MG 1 36 GLN HA 4.165 . 6.530 4.540 3.776 5.117 . 0 0 "[ . 1 . 2]" 1
208 1 12 THR MG 1 36 GLN QB 4.600 . 7.400 4.555 2.448 5.499 . 0 0 "[ . 1 . 2]" 1
209 1 12 THR MG 1 36 GLN QE 4.600 . 7.400 4.174 1.870 5.520 . 0 0 "[ . 1 . 2]" 1
210 1 13 CYS H 1 14 ALA H 2.975 . 4.050 3.986 3.733 4.093 0.043 12 0 "[ . 1 . 2]" 1
211 1 13 CYS H 1 14 ALA MB 4.165 . 6.530 4.104 3.746 4.425 . 0 0 "[ . 1 . 2]" 1
212 1 13 CYS H 1 34 CYS HB3 3.650 . 5.500 4.744 4.384 5.069 . 0 0 "[ . 1 . 2]" 1
213 1 13 CYS H 1 36 GLN HA 3.650 . 5.500 4.858 4.126 5.532 0.032 4 0 "[ . 1 . 2]" 1
214 1 13 CYS HA 1 14 ALA H 2.585 . 3.270 2.107 1.952 2.323 . 0 0 "[ . 1 . 2]" 1
215 1 13 CYS HA 1 34 CYS HB2 2.945 . 3.990 3.725 3.577 3.854 . 0 0 "[ . 1 . 2]" 1
216 1 13 CYS HA 1 34 CYS HB3 2.620 . 3.340 2.316 2.049 2.535 . 0 0 "[ . 1 . 2]" 1
217 1 13 CYS HA 1 35 ASN H 2.760 . 3.620 3.283 2.924 3.488 . 0 0 "[ . 1 . 2]" 1
218 1 13 CYS QB 1 34 CYS HB2 4.090 . 6.380 4.346 4.072 4.636 . 0 0 "[ . 1 . 2]" 1
219 1 13 CYS QB 1 34 CYS HB3 4.075 . 6.350 3.278 2.741 3.829 . 0 0 "[ . 1 . 2]" 1
220 1 13 CYS HB2 1 14 ALA H 3.650 . 5.500 4.423 4.168 4.581 . 0 0 "[ . 1 . 2]" 1
221 1 13 CYS HB2 1 14 ALA MB 4.165 . 6.530 5.227 4.697 5.479 . 0 0 "[ . 1 . 2]" 1
222 1 13 CYS HB3 1 14 ALA H 3.650 . 5.500 4.128 3.616 4.524 . 0 0 "[ . 1 . 2]" 1
223 1 13 CYS HB3 1 14 ALA MB 4.165 . 6.530 4.791 4.483 5.216 . 0 0 "[ . 1 . 2]" 1
224 1 14 ALA H 1 34 CYS HA 3.255 . 4.610 2.159 1.868 2.656 0.032 5 0 "[ . 1 . 2]" 1
225 1 14 ALA H 1 34 CYS HB2 3.650 . 5.500 4.859 4.467 5.325 . 0 0 "[ . 1 . 2]" 1
226 1 14 ALA H 1 34 CYS HB3 3.650 . 5.500 3.890 3.477 4.393 . 0 0 "[ . 1 . 2]" 1
227 1 14 ALA H 1 35 ASN H 2.775 . 3.650 1.981 1.817 2.447 0.083 5 0 "[ . 1 . 2]" 1
228 1 14 ALA H 1 35 ASN QB 4.090 . 6.380 3.573 3.077 3.976 . 0 0 "[ . 1 . 2]" 1
229 1 14 ALA H 1 36 GLN HA 3.540 . 5.280 4.618 4.154 5.123 . 0 0 "[ . 1 . 2]" 1
230 1 14 ALA HA 1 15 SER H 2.480 . 3.060 2.316 1.973 3.072 0.012 13 0 "[ . 1 . 2]" 1
231 1 14 ALA HA 1 15 SER HB2 3.330 . 4.760 4.359 4.125 4.526 . 0 0 "[ . 1 . 2]" 1
232 1 14 ALA HA 1 15 SER HB3 3.650 . 5.500 4.652 4.359 4.983 . 0 0 "[ . 1 . 2]" 1
233 1 14 ALA HA 1 33 LYS QG 4.090 . 6.380 5.599 5.168 5.697 . 0 0 "[ . 1 . 2]" 1
234 1 14 ALA MB 1 15 SER HA 4.165 . 6.530 4.294 3.883 4.739 . 0 0 "[ . 1 . 2]" 1
235 1 14 ALA MB 1 15 SER HB2 4.165 . 6.530 5.039 4.490 5.416 . 0 0 "[ . 1 . 2]" 1
236 1 14 ALA MB 1 15 SER HB3 4.165 . 6.530 4.990 4.473 5.472 . 0 0 "[ . 1 . 2]" 1
237 1 14 ALA MB 1 34 CYS HA 4.165 . 6.530 4.362 4.076 4.686 . 0 0 "[ . 1 . 2]" 1
238 1 14 ALA MB 1 35 ASN H 4.040 . 6.280 3.726 3.055 4.375 . 0 0 "[ . 1 . 2]" 1
239 1 14 ALA MB 1 39 GLY QA 4.605 . 7.410 3.336 2.263 3.969 . 0 0 "[ . 1 . 2]" 1
240 1 15 SER HA 1 16 SER H 2.775 . 3.650 2.826 2.302 3.286 . 0 0 "[ . 1 . 2]" 1
241 1 15 SER HA 1 17 CYS H 3.145 . 4.390 4.228 3.776 4.500 0.110 3 0 "[ . 1 . 2]" 1
242 1 15 SER HA 1 35 ASN HD21 3.650 . 5.500 2.638 2.036 3.308 . 0 0 "[ . 1 . 2]" 1
243 1 15 SER HB2 1 17 CYS H 3.035 . 4.170 4.113 3.732 4.282 0.112 8 0 "[ . 1 . 2]" 1
244 1 15 SER HB3 1 16 SER H 3.650 . 5.500 2.590 1.800 3.560 . 0 0 "[ . 1 . 2]" 1
245 1 15 SER HB3 1 17 CYS H 3.595 . 5.290 2.518 2.212 2.859 . 0 0 "[ . 1 . 2]" 1
246 1 16 SER H 1 17 CYS H 2.915 . 3.930 2.461 1.894 3.037 0.006 5 0 "[ . 1 . 2]" 1
247 1 16 SER H 1 35 ASN HD21 3.650 . 5.500 3.725 2.133 5.116 . 0 0 "[ . 1 . 2]" 1
248 1 16 SER H 1 35 ASN HD22 3.650 . 5.500 3.186 2.121 4.293 . 0 0 "[ . 1 . 2]" 1
249 1 16 SER HA 1 17 CYS H 2.635 . 3.370 3.094 2.941 3.373 0.003 16 0 "[ . 1 . 2]" 1
250 1 16 SER HA 1 17 CYS HA 3.650 . 5.500 4.639 4.544 4.765 . 0 0 "[ . 1 . 2]" 1
251 1 16 SER HA 1 18 PRO HD3 2.790 . 3.680 3.623 3.399 3.720 0.040 8 0 "[ . 1 . 2]" 1
252 1 16 SER HA 1 35 ASN HD21 3.225 . 4.550 4.026 3.542 4.600 0.050 5 0 "[ . 1 . 2]" 1
253 1 16 SER HA 1 35 ASN HD22 3.160 . 4.420 4.464 4.293 4.543 0.123 8 0 "[ . 1 . 2]" 1
254 1 16 SER QB 1 35 ASN HD21 4.090 . 6.380 3.903 2.953 5.738 . 0 0 "[ . 1 . 2]" 1
255 1 17 CYS H 1 18 PRO HD2 3.650 . 5.500 4.384 4.085 4.823 . 0 0 "[ . 1 . 2]" 1
256 1 17 CYS H 1 18 PRO HD3 3.570 . 5.340 3.782 3.252 4.066 . 0 0 "[ . 1 . 2]" 1
257 1 17 CYS HA 1 18 PRO HD2 2.480 . 3.060 2.164 2.050 2.607 . 0 0 "[ . 1 . 2]" 1
258 1 17 CYS HA 1 18 PRO HD3 2.585 . 3.270 2.918 2.334 3.116 . 0 0 "[ . 1 . 2]" 1
259 1 17 CYS QB 1 18 PRO HD2 3.515 . 5.230 3.916 3.759 4.262 . 0 0 "[ . 1 . 2]" 1
260 1 17 CYS QB 1 30 CYS HA 4.090 . 6.380 4.681 3.539 5.341 . 0 0 "[ . 1 . 2]" 1
261 1 17 CYS HB2 1 18 PRO HD2 3.650 . 5.500 4.288 3.971 4.836 . 0 0 "[ . 1 . 2]" 1
262 1 17 CYS HB3 1 18 PRO HD2 3.650 . 5.500 4.558 4.336 5.133 . 0 0 "[ . 1 . 2]" 1
263 1 18 PRO HA 1 19 LYS H 2.275 . 2.650 2.156 2.066 2.266 . 0 0 "[ . 1 . 2]" 1
264 1 18 PRO HB3 1 19 LYS H 2.760 . 3.620 3.587 3.335 3.670 0.050 20 0 "[ . 1 . 2]" 1
265 1 18 PRO HB3 1 20 THR MG 3.715 . 5.630 4.134 3.531 4.666 . 0 0 "[ . 1 . 2]" 1
266 1 18 PRO HB3 1 46 LEU MD1 4.165 . 6.530 5.112 4.769 5.372 . 0 0 "[ . 1 . 2]" 1
267 1 18 PRO HB3 1 46 LEU QD 3.800 . 5.800 3.140 2.581 4.156 . 0 0 "[ . 1 . 2]" 1
268 1 18 PRO HB3 1 46 LEU MD2 4.165 . 6.530 3.179 2.590 4.382 . 0 0 "[ . 1 . 2]" 1
269 1 18 PRO HD2 1 20 THR MG 4.165 . 6.530 4.996 4.526 5.483 . 0 0 "[ . 1 . 2]" 1
270 1 18 PRO HD2 1 46 LEU QD 4.950 . 8.100 5.361 4.449 5.565 . 0 0 "[ . 1 . 2]" 1
271 1 18 PRO QG 1 20 THR MG 4.430 . 7.060 3.327 2.629 5.114 . 0 0 "[ . 1 . 2]" 1
272 1 19 LYS H 1 20 THR H 3.160 . 4.420 4.333 3.940 4.497 0.077 3 0 "[ . 1 . 2]" 1
273 1 19 LYS H 1 20 THR MG 4.165 . 6.530 3.944 3.631 4.465 . 0 0 "[ . 1 . 2]" 1
274 1 19 LYS H 1 45 VAL MG1 4.165 . 6.530 5.185 4.936 5.309 . 0 0 "[ . 1 . 2]" 1
275 1 19 LYS HA 1 20 THR H 2.370 . 2.840 2.139 2.031 2.258 . 0 0 "[ . 1 . 2]" 1
276 1 19 LYS HA 1 20 THR HA 3.210 . 4.520 4.446 4.387 4.531 0.011 3 0 "[ . 1 . 2]" 1
277 1 19 LYS HA 1 23 THR H 3.160 . 4.420 4.467 4.426 4.524 0.104 14 0 "[ . 1 . 2]" 1
278 1 19 LYS HA 1 29 LEU QD 4.360 . 6.920 4.475 2.312 5.026 . 0 0 "[ . 1 . 2]" 1
279 1 19 LYS QB 1 20 THR H 3.745 . 5.690 3.307 2.390 3.968 . 0 0 "[ . 1 . 2]" 1
280 1 19 LYS QB 1 23 THR MG 4.600 . 7.400 3.901 2.007 5.126 . 0 0 "[ . 1 . 2]" 1
281 1 19 LYS QD 1 20 THR H 4.090 . 6.380 4.867 3.549 5.697 . 0 0 "[ . 1 . 2]" 1
282 1 19 LYS QE 1 20 THR H 4.090 . 6.380 5.198 3.071 5.769 . 0 0 "[ . 1 . 2]" 1
283 1 19 LYS QE 1 20 THR HA 4.090 . 6.380 5.417 4.906 5.762 . 0 0 "[ . 1 . 2]" 1
284 1 19 LYS QE 1 28 VAL H 4.090 . 6.380 3.602 2.446 5.742 . 0 0 "[ . 1 . 2]" 1
285 1 19 LYS QG 1 45 VAL HA 3.520 . 5.140 3.145 1.974 4.650 . 0 0 "[ . 1 . 2]" 1
286 1 19 LYS HG2 1 20 THR H 3.345 . 4.790 4.085 3.210 4.847 0.057 18 0 "[ . 1 . 2]" 1
287 1 19 LYS HG2 1 45 VAL HA 3.650 . 5.500 3.734 2.173 5.227 . 0 0 "[ . 1 . 2]" 1
288 1 19 LYS HG3 1 20 THR H 3.345 . 4.790 3.860 2.756 4.825 0.035 6 0 "[ . 1 . 2]" 1
289 1 19 LYS HG3 1 45 VAL HA 3.650 . 5.500 4.083 1.983 5.526 0.026 12 0 "[ . 1 . 2]" 1
290 1 20 THR H 1 21 CYS H 3.580 . 5.260 4.417 4.351 4.494 . 0 0 "[ . 1 . 2]" 1
291 1 20 THR H 1 22 GLU H 3.635 . 5.470 4.062 3.826 4.311 . 0 0 "[ . 1 . 2]" 1
292 1 20 THR H 1 23 THR HB 3.175 . 4.450 3.710 1.885 4.472 0.022 18 0 "[ . 1 . 2]" 1
293 1 20 THR H 1 45 VAL MG1 4.165 . 6.530 3.913 3.446 4.364 . 0 0 "[ . 1 . 2]" 1
294 1 20 THR H 1 45 VAL MG2 4.165 . 6.530 5.056 4.537 5.451 . 0 0 "[ . 1 . 2]" 1
295 1 20 THR H 1 46 LEU QB 4.090 . 6.380 4.603 4.369 4.839 . 0 0 "[ . 1 . 2]" 1
296 1 20 THR HA 1 21 CYS H 2.465 . 3.030 2.563 2.486 2.659 . 0 0 "[ . 1 . 2]" 1
297 1 20 THR HA 1 21 CYS HA 3.650 . 5.500 4.332 4.305 4.355 . 0 0 "[ . 1 . 2]" 1
298 1 20 THR HA 1 22 GLU H 3.270 . 4.640 4.050 3.961 4.286 . 0 0 "[ . 1 . 2]" 1
299 1 20 THR HA 1 23 THR H 3.650 . 5.500 4.564 4.389 4.895 . 0 0 "[ . 1 . 2]" 1
300 1 20 THR HA 1 24 ARG QG 4.090 . 6.380 4.932 4.464 5.628 . 0 0 "[ . 1 . 2]" 1
301 1 20 THR HA 1 45 VAL HA 3.115 . 4.330 3.594 3.077 3.882 . 0 0 "[ . 1 . 2]" 1
302 1 20 THR HA 1 45 VAL HB 2.555 . 3.210 2.235 2.087 2.432 . 0 0 "[ . 1 . 2]" 1
303 1 20 THR HA 1 45 VAL MG1 4.165 . 6.530 3.697 3.541 3.783 . 0 0 "[ . 1 . 2]" 1
304 1 20 THR HA 1 45 VAL MG2 3.590 . 5.380 3.602 3.232 3.870 . 0 0 "[ . 1 . 2]" 1
305 1 20 THR HA 1 46 LEU H 2.620 . 3.340 2.600 2.079 2.962 . 0 0 "[ . 1 . 2]" 1
306 1 20 THR HA 1 46 LEU QB 4.090 . 6.380 2.783 2.435 3.271 . 0 0 "[ . 1 . 2]" 1
307 1 20 THR HA 1 46 LEU MD1 4.165 . 6.530 5.176 4.914 5.379 . 0 0 "[ . 1 . 2]" 1
308 1 20 THR HA 1 46 LEU MD2 4.165 . 6.530 4.618 4.293 5.054 . 0 0 "[ . 1 . 2]" 1
309 1 20 THR HA 1 47 LYS H 3.650 . 5.500 4.846 4.461 5.286 . 0 0 "[ . 1 . 2]" 1
310 1 20 THR HA 1 48 SER H 3.650 . 5.500 4.991 4.763 5.298 . 0 0 "[ . 1 . 2]" 1
311 1 20 THR HB 1 21 CYS H 2.510 . 3.120 2.118 1.909 2.245 . 0 0 "[ . 1 . 2]" 1
312 1 20 THR HB 1 21 CYS HA 3.555 . 5.310 4.759 4.600 4.842 . 0 0 "[ . 1 . 2]" 1
313 1 20 THR HB 1 21 CYS HB2 3.650 . 5.500 3.936 3.556 4.059 . 0 0 "[ . 1 . 2]" 1
314 1 20 THR HB 1 21 CYS HB3 3.650 . 5.500 5.401 5.102 5.509 0.009 19 0 "[ . 1 . 2]" 1
315 1 20 THR HB 1 22 GLU H 2.805 . 3.710 2.885 2.705 3.066 . 0 0 "[ . 1 . 2]" 1
316 1 20 THR HB 1 22 GLU QB 4.090 . 6.380 3.939 3.570 4.834 . 0 0 "[ . 1 . 2]" 1
317 1 20 THR HB 1 45 VAL HB 3.650 . 5.500 4.325 4.276 4.402 . 0 0 "[ . 1 . 2]" 1
318 1 20 THR HB 1 45 VAL MG1 4.165 . 6.530 5.466 5.410 5.508 . 0 0 "[ . 1 . 2]" 1
319 1 20 THR HB 1 45 VAL MG2 4.165 . 6.530 4.818 4.535 5.050 . 0 0 "[ . 1 . 2]" 1
320 1 20 THR HB 1 46 LEU QD 4.950 . 8.100 4.395 3.558 5.019 . 0 0 "[ . 1 . 2]" 1
321 1 20 THR HB 1 48 SER HA 3.590 . 5.380 3.054 2.585 3.538 . 0 0 "[ . 1 . 2]" 1
322 1 20 THR HB 1 48 SER HB2 3.650 . 5.500 5.390 5.265 5.501 0.001 6 0 "[ . 1 . 2]" 1
323 1 20 THR HB 1 48 SER HB3 3.650 . 5.500 5.209 4.941 5.376 . 0 0 "[ . 1 . 2]" 1
324 1 20 THR HB 1 49 LYS H 3.650 . 5.500 3.991 3.714 4.120 . 0 0 "[ . 1 . 2]" 1
325 1 20 THR MG 1 21 CYS H 3.840 . 5.880 3.778 3.660 3.873 . 0 0 "[ . 1 . 2]" 1
326 1 20 THR MG 1 22 GLU H 4.165 . 6.530 4.064 3.956 4.239 . 0 0 "[ . 1 . 2]" 1
327 1 20 THR MG 1 22 GLU QB 4.600 . 7.400 3.940 3.609 5.252 . 0 0 "[ . 1 . 2]" 1
328 1 20 THR MG 1 46 LEU H 4.165 . 6.530 3.654 3.348 3.792 . 0 0 "[ . 1 . 2]" 1
329 1 20 THR MG 1 46 LEU HA 4.165 . 6.530 4.513 4.415 4.653 . 0 0 "[ . 1 . 2]" 1
330 1 20 THR MG 1 46 LEU QB 4.525 . 7.250 1.926 1.816 2.209 . 0 0 "[ . 1 . 2]" 1
331 1 20 THR MG 1 47 LYS H 4.165 . 6.530 5.184 5.005 5.356 . 0 0 "[ . 1 . 2]" 1
332 1 20 THR MG 1 48 SER H 4.165 . 6.530 4.028 3.746 4.306 . 0 0 "[ . 1 . 2]" 1
333 1 20 THR MG 1 48 SER HA 3.840 . 5.880 3.979 3.381 4.664 . 0 0 "[ . 1 . 2]" 1
334 1 20 THR MG 1 48 SER QB 4.605 . 7.410 4.535 4.205 4.854 . 0 0 "[ . 1 . 2]" 1
335 1 20 THR MG 1 49 LYS H 3.605 . 5.410 3.673 3.089 4.142 . 0 0 "[ . 1 . 2]" 1
336 1 20 THR MG 1 49 LYS HA 3.520 . 5.140 2.002 1.888 2.091 0.012 17 0 "[ . 1 . 2]" 1
337 1 20 THR MG 1 49 LYS HB2 3.960 . 6.120 4.346 4.061 4.590 . 0 0 "[ . 1 . 2]" 1
338 1 20 THR MG 1 49 LYS QB 3.680 . 5.560 3.847 3.534 3.962 . 0 0 "[ . 1 . 2]" 1
339 1 20 THR MG 1 49 LYS HB3 3.960 . 6.120 4.334 3.885 4.599 . 0 0 "[ . 1 . 2]" 1
340 1 20 THR MG 1 49 LYS QD 4.600 . 7.400 4.202 2.908 5.409 . 0 0 "[ . 1 . 2]" 1
341 1 20 THR MG 1 50 ASP H 4.165 . 6.530 3.769 3.579 3.878 . 0 0 "[ . 1 . 2]" 1
342 1 20 THR MG 1 50 ASP HA 3.270 . 4.640 3.816 3.658 3.907 . 0 0 "[ . 1 . 2]" 1
343 1 21 CYS H 1 22 GLU H 3.240 . 4.580 2.558 2.482 2.734 . 0 0 "[ . 1 . 2]" 1
344 1 21 CYS H 1 23 THR H 3.360 . 4.820 4.393 4.178 4.745 . 0 0 "[ . 1 . 2]" 1
345 1 21 CYS H 1 45 VAL MG2 3.840 . 5.880 3.269 3.083 3.465 . 0 0 "[ . 1 . 2]" 1
346 1 21 CYS HA 1 24 ARG QB 3.415 . 4.930 4.387 4.258 4.496 . 0 0 "[ . 1 . 2]" 1
347 1 21 CYS HA 1 24 ARG HE 3.500 . 5.100 3.577 1.954 4.169 . 0 0 "[ . 1 . 2]" 1
348 1 21 CYS HA 1 24 ARG QG 4.090 . 6.380 2.282 2.166 2.450 . 0 0 "[ . 1 . 2]" 1
349 1 21 CYS HA 1 45 VAL HB 3.650 . 5.500 3.328 2.968 3.748 . 0 0 "[ . 1 . 2]" 1
350 1 21 CYS HA 1 45 VAL MG2 3.115 . 4.330 2.080 1.951 2.278 . 0 0 "[ . 1 . 2]" 1
351 1 21 CYS HB2 1 22 GLU H 2.760 . 3.620 2.971 2.878 3.117 . 0 0 "[ . 1 . 2]" 1
352 1 21 CYS HB3 1 22 GLU H 2.865 . 3.830 3.870 3.844 3.914 0.084 14 0 "[ . 1 . 2]" 1
353 1 21 CYS HB3 1 45 VAL MG2 4.165 . 6.530 3.839 3.607 4.203 . 0 0 "[ . 1 . 2]" 1
354 1 21 CYS HB3 1 47 LYS HA 3.650 . 5.500 5.108 4.633 5.447 . 0 0 "[ . 1 . 2]" 1
355 1 21 CYS HB3 1 60 CYS HB2 3.650 . 5.500 3.681 3.408 3.852 . 0 0 "[ . 1 . 2]" 1
356 1 22 GLU H 1 23 THR H 2.525 . 3.150 2.564 2.175 2.872 . 0 0 "[ . 1 . 2]" 1
357 1 22 GLU H 1 23 THR MG 4.165 . 6.530 4.421 3.893 5.513 . 0 0 "[ . 1 . 2]" 1
358 1 22 GLU H 1 24 ARG H 3.410 . 4.920 4.802 4.277 4.962 0.042 8 0 "[ . 1 . 2]" 1
359 1 22 GLU H 1 45 VAL MG2 4.165 . 6.530 4.658 4.501 4.831 . 0 0 "[ . 1 . 2]" 1
360 1 22 GLU H 1 48 SER HA 3.115 . 4.330 4.392 4.356 4.421 0.091 17 0 "[ . 1 . 2]" 1
361 1 22 GLU HA 1 23 THR H 2.820 . 3.740 3.557 3.422 3.640 . 0 0 "[ . 1 . 2]" 1
362 1 22 GLU QB 1 23 THR H 3.260 . 4.620 2.388 1.960 3.772 . 0 0 "[ . 1 . 2]" 1
363 1 22 GLU QB 1 23 THR HA 4.090 . 6.380 4.181 3.692 4.558 . 0 0 "[ . 1 . 2]" 1
364 1 22 GLU QB 1 23 THR MG 4.030 . 6.260 3.165 2.460 4.505 . 0 0 "[ . 1 . 2]" 1
365 1 22 GLU QB 1 24 ARG HE 4.090 . 6.380 5.679 5.131 5.831 . 0 0 "[ . 1 . 2]" 1
366 1 22 GLU QG 1 23 THR H 4.090 . 6.380 3.666 2.921 4.469 . 0 0 "[ . 1 . 2]" 1
367 1 22 GLU QG 1 23 THR MG 4.510 . 7.220 4.080 2.627 5.454 . 0 0 "[ . 1 . 2]" 1
368 1 23 THR H 1 24 ARG QG 4.090 . 6.380 3.709 3.523 4.021 . 0 0 "[ . 1 . 2]" 1
369 1 23 THR HA 1 24 ARG H 2.865 2.100 3.630 3.194 2.179 3.615 . 0 0 "[ . 1 . 2]" 1
370 1 23 THR HA 1 25 ASN H 2.880 . 3.860 3.267 2.962 3.451 . 0 0 "[ . 1 . 2]" 1
371 1 23 THR HA 1 25 ASN HB3 3.650 . 5.500 5.542 5.494 5.589 0.089 12 0 "[ . 1 . 2]" 1
372 1 23 THR HA 1 26 LYS QD 4.090 . 6.380 5.224 4.380 5.680 . 0 0 "[ . 1 . 2]" 1
373 1 23 THR HB 1 24 ARG H 3.510 2.700 4.320 3.446 2.671 4.388 0.068 18 0 "[ . 1 . 2]" 1
374 1 23 THR HB 1 25 ASN H 3.525 . 5.250 3.626 2.695 5.176 . 0 0 "[ . 1 . 2]" 1
375 1 23 THR HB 1 25 ASN HD21 3.555 . 5.310 4.695 2.784 5.334 0.024 7 0 "[ . 1 . 2]" 1
376 1 23 THR MG 1 24 ARG H 4.165 . 6.530 3.634 1.613 4.269 0.187 13 0 "[ . 1 . 2]" 1
377 1 23 THR MG 1 24 ARG HA 4.165 . 6.530 5.137 3.314 5.602 . 0 0 "[ . 1 . 2]" 1
378 1 23 THR MG 1 26 LYS QB 4.605 . 7.410 5.084 3.939 5.472 . 0 0 "[ . 1 . 2]" 1
379 1 24 ARG H 1 25 ASN H 2.540 . 3.180 2.727 2.239 2.980 . 0 0 "[ . 1 . 2]" 1
380 1 24 ARG HA 1 25 ASN H 2.635 . 3.370 3.280 3.200 3.377 0.007 13 0 "[ . 1 . 2]" 1
381 1 24 ARG HA 1 25 ASN HA 3.650 . 5.500 4.866 4.766 4.958 . 0 0 "[ . 1 . 2]" 1
382 1 24 ARG HA 1 45 VAL MG1 3.995 . 6.190 1.999 1.862 2.268 . 0 0 "[ . 1 . 2]" 1
383 1 24 ARG HA 1 45 VAL MG2 4.165 . 6.530 3.720 3.244 4.025 . 0 0 "[ . 1 . 2]" 1
384 1 24 ARG QB 1 25 ASN H 2.680 . 3.460 3.034 2.926 3.135 . 0 0 "[ . 1 . 2]" 1
385 1 24 ARG QB 1 25 ASN HB3 4.060 . 6.320 5.663 5.571 5.750 . 0 0 "[ . 1 . 2]" 1
386 1 24 ARG QB 1 45 VAL MG1 4.540 . 7.280 3.302 2.767 3.810 . 0 0 "[ . 1 . 2]" 1
387 1 24 ARG QB 1 45 VAL MG2 3.785 . 5.770 4.002 3.671 4.127 . 0 0 "[ . 1 . 2]" 1
388 1 24 ARG QB 1 57 PRO QB 3.245 . 4.590 2.506 2.043 3.024 . 0 0 "[ . 1 . 2]" 1
389 1 24 ARG HB2 1 25 ASN H 2.915 . 3.930 3.152 3.018 3.280 . 0 0 "[ . 1 . 2]" 1
390 1 24 ARG HB2 1 45 VAL MG2 4.165 . 6.530 4.899 4.719 5.071 . 0 0 "[ . 1 . 2]" 1
391 1 24 ARG HB3 1 25 ASN H 2.915 . 3.930 3.963 3.925 3.981 0.051 1 0 "[ . 1 . 2]" 1
392 1 24 ARG HB3 1 45 VAL MG2 4.165 . 6.530 4.249 3.828 4.438 . 0 0 "[ . 1 . 2]" 1
393 1 24 ARG QD 1 45 VAL MG1 4.605 . 7.410 3.847 3.351 4.864 . 0 0 "[ . 1 . 2]" 1
394 1 24 ARG QD 1 45 VAL MG2 4.420 . 7.040 3.133 2.505 4.069 . 0 0 "[ . 1 . 2]" 1
395 1 24 ARG HE 1 45 VAL MG1 4.165 . 6.530 5.079 4.436 5.267 . 0 0 "[ . 1 . 2]" 1
396 1 24 ARG HE 1 45 VAL MG2 4.165 . 6.530 4.587 3.075 5.156 . 0 0 "[ . 1 . 2]" 1
397 1 24 ARG HE 1 60 CYS HB2 3.650 . 5.500 5.183 3.688 5.552 0.052 4 0 "[ . 1 . 2]" 1
398 1 24 ARG QG 1 25 ASN H 3.840 . 5.880 4.105 3.992 4.207 . 0 0 "[ . 1 . 2]" 1
399 1 24 ARG QG 1 25 ASN HA 4.090 . 6.380 5.774 5.740 5.798 . 0 0 "[ . 1 . 2]" 1
400 1 24 ARG QG 1 25 ASN HD21 4.090 . 6.380 5.227 4.593 5.659 . 0 0 "[ . 1 . 2]" 1
401 1 24 ARG QG 1 45 VAL MG1 4.600 . 7.400 2.156 1.926 3.193 . 0 0 "[ . 1 . 2]" 1
402 1 24 ARG QG 1 45 VAL MG2 4.600 . 7.400 2.195 2.002 2.500 . 0 0 "[ . 1 . 2]" 1
403 1 25 ASN H 1 26 LYS H 2.540 . 3.180 2.899 2.564 3.250 0.070 15 0 "[ . 1 . 2]" 1
404 1 25 ASN H 1 26 LYS QD 4.090 . 6.380 3.957 3.243 5.172 . 0 0 "[ . 1 . 2]" 1
405 1 25 ASN H 1 26 LYS QG 4.090 . 6.380 5.384 3.464 5.787 . 0 0 "[ . 1 . 2]" 1
406 1 25 ASN HA 1 26 LYS H 2.760 . 3.620 3.496 3.332 3.602 . 0 0 "[ . 1 . 2]" 1
407 1 25 ASN HB2 1 26 LYS H 3.270 . 4.640 2.834 1.889 3.277 0.011 15 0 "[ . 1 . 2]" 1
408 1 25 ASN HB2 1 26 LYS QG 4.090 . 6.380 4.056 2.432 4.853 . 0 0 "[ . 1 . 2]" 1
409 1 25 ASN HB3 1 26 LYS H 2.945 . 3.990 3.774 2.381 4.051 0.061 16 0 "[ . 1 . 2]" 1
410 1 25 ASN HB3 1 26 LYS QD 3.460 . 5.020 3.028 2.416 4.459 . 0 0 "[ . 1 . 2]" 1
411 1 25 ASN HD21 1 26 LYS QD 4.090 . 6.380 4.680 3.822 5.334 . 0 0 "[ . 1 . 2]" 1
412 1 26 LYS H 1 27 LEU H 3.055 . 4.210 4.326 4.262 4.377 0.167 1 0 "[ . 1 . 2]" 1
413 1 26 LYS HA 1 27 LEU H 2.295 . 2.690 2.258 1.980 2.646 . 0 0 "[ . 1 . 2]" 1
414 1 26 LYS QB 1 27 LEU H 3.120 . 4.340 2.568 1.840 3.342 0.060 4 0 "[ . 1 . 2]" 1
415 1 26 LYS QB 1 27 LEU QD 4.585 . 7.370 4.074 3.619 4.687 . 0 0 "[ . 1 . 2]" 1
416 1 26 LYS QB 1 28 VAL QG 5.150 . 8.500 2.469 1.975 3.496 . 0 0 "[ . 1 . 2]" 1
417 1 26 LYS QB 1 31 ASP HA 3.980 . 6.160 4.999 3.758 5.515 . 0 0 "[ . 1 . 2]" 1
418 1 26 LYS QB 1 31 ASP QB 3.270 . 4.640 3.273 2.605 3.542 . 0 0 "[ . 1 . 2]" 1
419 1 26 LYS HB2 1 31 ASP HB2 3.875 . 5.950 4.875 3.434 5.994 0.044 16 0 "[ . 1 . 2]" 1
420 1 26 LYS HB2 1 31 ASP HB3 3.875 . 5.950 4.889 3.135 5.737 . 0 0 "[ . 1 . 2]" 1
421 1 26 LYS HB3 1 31 ASP HB2 3.875 . 5.950 4.107 3.153 5.698 . 0 0 "[ . 1 . 2]" 1
422 1 26 LYS HB3 1 31 ASP HB3 3.875 . 5.950 4.336 2.651 5.371 . 0 0 "[ . 1 . 2]" 1
423 1 26 LYS QD 1 27 LEU H 4.090 . 6.380 4.834 4.039 5.724 . 0 0 "[ . 1 . 2]" 1
424 1 26 LYS QG 1 27 LEU H 4.090 . 6.380 3.913 3.516 4.863 . 0 0 "[ . 1 . 2]" 1
425 1 27 LEU HA 1 28 VAL H 2.415 2.100 2.730 2.624 2.543 2.745 0.015 16 0 "[ . 1 . 2]" 1
426 1 27 LEU HA 1 28 VAL HA 3.255 . 4.610 4.410 4.358 4.495 . 0 0 "[ . 1 . 2]" 1
427 1 27 LEU HA 1 28 VAL QG 3.860 . 5.920 3.918 3.813 4.087 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU QB 1 28 VAL H 3.000 . 4.100 3.697 3.539 3.788 . 0 0 "[ . 1 . 2]" 1
429 1 27 LEU HB2 1 28 VAL H 3.085 . 4.270 4.037 3.806 4.223 . 0 0 "[ . 1 . 2]" 1
430 1 27 LEU HB3 1 28 VAL H 3.085 . 4.270 4.292 4.209 4.315 0.045 20 0 "[ . 1 . 2]" 1
431 1 27 LEU HG 1 28 VAL H 3.650 . 5.500 4.914 4.586 5.081 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU HG 1 28 VAL QG 4.710 . 7.620 5.086 4.608 5.364 . 0 0 "[ . 1 . 2]" 1
433 1 28 VAL H 1 29 LEU H 3.595 . 5.290 4.316 4.238 4.359 . 0 0 "[ . 1 . 2]" 1
434 1 28 VAL HA 1 29 LEU H 2.230 . 2.560 2.295 2.193 2.571 0.011 14 0 "[ . 1 . 2]" 1
435 1 28 VAL HA 1 29 LEU HB2 3.285 . 4.670 4.478 4.278 4.568 . 0 0 "[ . 1 . 2]" 1
436 1 28 VAL HA 1 29 LEU QB 3.205 . 4.510 4.088 3.964 4.129 . 0 0 "[ . 1 . 2]" 1
437 1 28 VAL HA 1 29 LEU HB3 3.285 . 4.670 4.724 4.685 4.771 0.101 16 0 "[ . 1 . 2]" 1
438 1 28 VAL HB 1 29 LEU H 2.680 . 3.460 2.602 1.915 3.380 . 0 0 "[ . 1 . 2]" 1
439 1 28 VAL HB 1 29 LEU HA 3.285 . 4.670 4.743 4.610 4.845 0.175 20 0 "[ . 1 . 2]" 1
440 1 28 VAL HB 1 30 CYS QB 3.810 . 5.820 5.053 4.366 5.264 . 0 0 "[ . 1 . 2]" 1
441 1 28 VAL QG 1 29 LEU H 4.385 . 6.970 2.938 1.881 3.409 . 0 0 "[ . 1 . 2]" 1
442 1 28 VAL QG 1 29 LEU QB 4.190 . 6.580 3.743 2.695 4.454 . 0 0 "[ . 1 . 2]" 1
443 1 28 VAL QG 1 30 CYS QB 5.150 . 8.500 4.081 3.412 4.415 . 0 0 "[ . 1 . 2]" 1
444 1 28 VAL QG 1 31 ASP HA 4.060 . 6.320 3.054 1.991 3.909 . 0 0 "[ . 1 . 2]" 1
445 1 28 VAL QG 1 39 GLY QA 5.150 . 8.500 5.249 4.519 5.615 . 0 0 "[ . 1 . 2]" 1
446 1 29 LEU H 1 30 CYS H 3.500 . 5.100 2.714 2.167 3.084 . 0 0 "[ . 1 . 2]" 1
447 1 29 LEU HA 1 30 CYS H 2.770 2.300 3.240 3.372 3.255 3.427 0.187 6 0 "[ . 1 . 2]" 1
448 1 29 LEU QB 1 30 CYS QB 4.525 . 7.250 3.639 3.357 3.921 . 0 0 "[ . 1 . 2]" 1
449 1 29 LEU QD 1 30 CYS H 4.950 . 8.100 3.511 2.837 4.267 . 0 0 "[ . 1 . 2]" 1
450 1 29 LEU QD 1 39 GLY QA 5.390 . 8.980 2.137 1.740 5.902 0.060 18 0 "[ . 1 . 2]" 1
451 1 30 CYS H 1 31 ASP H 3.595 . 5.290 4.250 3.782 4.427 . 0 0 "[ . 1 . 2]" 1
452 1 30 CYS HA 1 31 ASP H 2.605 . 3.310 2.587 1.981 3.327 0.017 12 0 "[ . 1 . 2]" 1
453 1 30 CYS QB 1 31 ASP H 2.745 . 3.590 2.899 1.792 3.313 0.108 8 0 "[ . 1 . 2]" 1
454 1 30 CYS QB 1 32 LYS QB 4.525 . 7.250 4.559 3.154 5.713 . 0 0 "[ . 1 . 2]" 1
455 1 30 CYS HB2 1 31 ASP H 2.895 . 3.890 3.662 2.255 3.960 0.070 9 0 "[ . 1 . 2]" 1
456 1 30 CYS HB3 1 31 ASP H 2.895 . 3.890 3.101 1.881 4.020 0.130 13 0 "[ . 1 . 2]" 1
457 1 31 ASP H 1 32 LYS H 3.650 . 5.500 1.970 1.779 2.367 0.021 20 0 "[ . 1 . 2]" 1
458 1 31 ASP HA 1 32 LYS H 2.755 2.100 3.410 3.371 2.593 3.466 0.056 6 0 "[ . 1 . 2]" 1
459 1 31 ASP HA 1 32 LYS QG 4.090 . 6.380 5.062 4.729 5.849 . 0 0 "[ . 1 . 2]" 1
460 1 31 ASP HA 1 33 LYS H 3.525 . 5.250 3.750 3.311 5.223 . 0 0 "[ . 1 . 2]" 1
461 1 31 ASP QB 1 32 LYS H 2.855 . 3.810 3.216 2.364 3.588 . 0 0 "[ . 1 . 2]" 1
462 1 31 ASP QB 1 33 LYS H 3.840 . 5.880 4.803 4.462 5.320 . 0 0 "[ . 1 . 2]" 1
463 1 31 ASP HB2 1 32 LYS H 3.055 . 4.210 4.032 3.602 4.249 0.039 2 0 "[ . 1 . 2]" 1
464 1 31 ASP HB3 1 32 LYS H 3.055 . 4.210 3.470 2.391 4.083 . 0 0 "[ . 1 . 2]" 1
465 1 32 LYS H 1 33 LYS H 2.865 . 3.830 2.765 2.047 3.273 . 0 0 "[ . 1 . 2]" 1
466 1 32 LYS HA 1 33 LYS H 2.740 . 3.580 3.332 2.893 3.548 . 0 0 "[ . 1 . 2]" 1
467 1 32 LYS QB 1 33 LYS H 3.070 . 4.240 3.251 2.182 3.860 . 0 0 "[ . 1 . 2]" 1
468 1 32 LYS HB2 1 33 LYS H 3.210 . 4.520 3.504 2.214 4.264 . 0 0 "[ . 1 . 2]" 1
469 1 32 LYS HB3 1 33 LYS H 3.210 . 4.520 4.053 2.362 4.488 . 0 0 "[ . 1 . 2]" 1
470 1 33 LYS H 1 34 CYS H 3.650 . 5.500 4.361 4.204 4.615 . 0 0 "[ . 1 . 2]" 1
471 1 33 LYS HA 1 34 CYS H 2.635 . 3.370 2.262 2.127 2.412 . 0 0 "[ . 1 . 2]" 1
472 1 33 LYS HA 1 34 CYS HB2 3.210 . 4.520 4.381 4.209 4.529 0.009 20 0 "[ . 1 . 2]" 1
473 1 33 LYS HA 1 35 ASN H 3.470 . 5.040 5.092 5.059 5.129 0.089 1 0 "[ . 1 . 2]" 1
474 1 33 LYS QB 1 34 CYS H 3.245 . 4.590 3.391 3.299 3.472 . 0 0 "[ . 1 . 2]" 1
475 1 33 LYS QB 1 34 CYS HB2 3.980 . 6.160 5.530 5.462 5.574 . 0 0 "[ . 1 . 2]" 1
476 1 33 LYS QB 1 35 ASN H 3.535 . 5.170 4.185 4.005 4.480 . 0 0 "[ . 1 . 2]" 1
477 1 33 LYS QB 1 35 ASN HD21 4.090 . 6.380 5.069 4.323 5.666 . 0 0 "[ . 1 . 2]" 1
478 1 33 LYS QB 1 35 ASN HD22 4.090 . 6.380 4.081 3.349 4.910 . 0 0 "[ . 1 . 2]" 1
479 1 33 LYS QG 1 34 CYS H 4.090 . 6.380 2.154 1.891 2.476 . 0 0 "[ . 1 . 2]" 1
480 1 33 LYS QG 1 34 CYS HB2 3.810 . 5.820 4.198 3.743 4.651 . 0 0 "[ . 1 . 2]" 1
481 1 33 LYS QG 1 35 ASN H 4.090 . 6.380 3.017 2.716 3.518 . 0 0 "[ . 1 . 2]" 1
482 1 33 LYS QG 1 35 ASN HD21 4.090 . 6.380 4.447 3.786 5.097 . 0 0 "[ . 1 . 2]" 1
483 1 34 CYS HA 1 35 ASN H 2.495 . 3.090 2.199 2.112 2.274 . 0 0 "[ . 1 . 2]" 1
484 1 34 CYS HB2 1 35 ASN H 3.175 2.100 4.250 4.330 4.318 4.346 0.096 2 0 "[ . 1 . 2]" 1
485 1 34 CYS HB3 1 35 ASN H 2.915 . 3.930 3.986 3.955 4.010 0.080 8 0 "[ . 1 . 2]" 1
486 1 35 ASN H 1 36 GLN H 3.300 . 4.700 4.499 4.256 4.615 . 0 0 "[ . 1 . 2]" 1
487 1 35 ASN HA 1 36 GLN H 2.415 . 2.930 2.191 2.136 2.277 . 0 0 "[ . 1 . 2]" 1
488 1 35 ASN QB 1 36 GLN H 2.990 . 4.080 3.128 2.818 3.547 . 0 0 "[ . 1 . 2]" 1
489 1 35 ASN QB 1 37 ARG QG 3.265 . 4.630 2.188 2.005 2.418 . 0 0 "[ . 1 . 2]" 1
490 1 35 ASN HB2 1 36 GLN H 3.085 . 4.270 4.051 3.711 4.278 0.008 19 0 "[ . 1 . 2]" 1
491 1 35 ASN HB2 1 37 ARG QD 4.090 . 6.380 2.949 2.159 4.671 . 0 0 "[ . 1 . 2]" 1
492 1 35 ASN HB2 1 37 ARG HE 3.650 . 5.500 4.032 2.055 5.544 0.044 19 0 "[ . 1 . 2]" 1
493 1 35 ASN HB2 1 37 ARG HG2 3.590 . 5.380 2.846 2.093 5.059 . 0 0 "[ . 1 . 2]" 1
494 1 35 ASN HB2 1 37 ARG HG3 3.590 . 5.380 3.483 2.678 3.944 . 0 0 "[ . 1 . 2]" 1
495 1 35 ASN HB3 1 36 GLN H 3.085 . 4.270 3.259 2.894 3.788 . 0 0 "[ . 1 . 2]" 1
496 1 35 ASN HB3 1 37 ARG QD 4.090 . 6.380 2.789 2.293 3.808 . 0 0 "[ . 1 . 2]" 1
497 1 35 ASN HB3 1 37 ARG HE 3.650 . 5.500 3.942 1.892 5.505 0.005 14 0 "[ . 1 . 2]" 1
498 1 35 ASN HB3 1 37 ARG HG2 3.590 . 5.380 2.912 2.257 4.113 . 0 0 "[ . 1 . 2]" 1
499 1 35 ASN HB3 1 37 ARG HG3 3.590 . 5.380 3.772 2.380 4.757 . 0 0 "[ . 1 . 2]" 1
500 1 35 ASN HD21 1 37 ARG HG2 3.650 . 5.500 4.246 3.633 5.526 0.026 3 0 "[ . 1 . 2]" 1
501 1 35 ASN HD21 1 37 ARG HG3 3.650 . 5.500 4.525 3.459 5.153 . 0 0 "[ . 1 . 2]" 1
502 1 36 GLN H 1 37 ARG H 3.650 . 5.500 3.805 3.612 4.102 . 0 0 "[ . 1 . 2]" 1
503 1 36 GLN H 1 37 ARG QD 4.090 . 6.380 5.012 4.228 5.710 . 0 0 "[ . 1 . 2]" 1
504 1 36 GLN H 1 37 ARG QG 4.090 . 6.380 3.847 3.092 4.292 . 0 0 "[ . 1 . 2]" 1
505 1 36 GLN HA 1 37 ARG H 2.495 . 3.090 2.202 2.109 2.310 . 0 0 "[ . 1 . 2]" 1
506 1 36 GLN HA 1 37 ARG HG2 3.650 . 5.500 4.344 3.961 5.478 . 0 0 "[ . 1 . 2]" 1
507 1 36 GLN HA 1 37 ARG HG3 3.650 . 5.500 5.013 4.211 5.595 0.095 10 0 "[ . 1 . 2]" 1
508 1 37 ARG H 1 38 CYS H 3.345 . 4.790 4.236 4.097 4.401 . 0 0 "[ . 1 . 2]" 1
509 1 37 ARG HA 1 38 CYS H 2.400 . 2.900 2.780 2.527 2.973 0.073 2 0 "[ . 1 . 2]" 1
510 1 37 ARG QB 1 38 CYS H 2.495 . 3.090 1.903 1.842 2.136 0.058 1 0 "[ . 1 . 2]" 1
511 1 37 ARG QB 1 38 CYS QB 4.525 . 7.250 3.648 3.221 3.869 . 0 0 "[ . 1 . 2]" 1
512 1 37 ARG HB2 1 38 CYS H 2.620 . 3.340 2.149 1.867 3.281 0.033 8 0 "[ . 1 . 2]" 1
513 1 37 ARG HB3 1 38 CYS H 2.620 . 3.340 3.055 1.887 3.417 0.077 18 0 "[ . 1 . 2]" 1
514 1 37 ARG QD 1 38 CYS H 4.090 . 6.380 4.046 3.256 4.979 . 0 0 "[ . 1 . 2]" 1
515 1 37 ARG HE 1 38 CYS H 3.650 . 5.500 4.349 2.866 5.551 0.051 2 0 "[ . 1 . 2]" 1
516 1 37 ARG QG 1 38 CYS H 3.580 . 5.360 3.028 2.395 4.035 . 0 0 "[ . 1 . 2]" 1
517 1 38 CYS HA 1 39 GLY H 2.400 . 2.900 2.344 2.093 2.637 . 0 0 "[ . 1 . 2]" 1
518 1 38 CYS HA 1 39 GLY QA 3.735 . 5.670 3.984 3.929 4.058 . 0 0 "[ . 1 . 2]" 1
519 1 38 CYS QB 1 39 GLY H 2.895 . 3.890 3.237 2.931 3.575 . 0 0 "[ . 1 . 2]" 1
520 1 38 CYS HB2 1 39 GLY H 2.975 . 4.050 3.722 3.554 3.954 . 0 0 "[ . 1 . 2]" 1
521 1 38 CYS HB3 1 39 GLY H 2.975 . 4.050 3.579 3.087 4.084 0.034 19 0 "[ . 1 . 2]" 1
522 1 39 GLY QA 1 40 CYS HB2 3.530 . 5.260 4.414 4.298 4.523 . 0 0 "[ . 1 . 2]" 1
523 1 40 CYS H 1 41 ILE H 3.210 . 4.520 4.586 4.561 4.609 0.089 13 0 "[ . 1 . 2]" 1
524 1 40 CYS HA 1 41 ILE H 2.415 . 2.930 2.253 2.131 2.444 . 0 0 "[ . 1 . 2]" 1
525 1 40 CYS HA 1 41 ILE QG 3.995 . 6.190 3.718 3.235 4.685 . 0 0 "[ . 1 . 2]" 1
526 1 40 CYS HA 1 41 ILE MG 4.165 . 6.530 5.421 5.314 5.483 . 0 0 "[ . 1 . 2]" 1
527 1 40 CYS HA 1 44 THR HG1 3.650 . 5.500 3.977 3.735 4.236 . 0 0 "[ . 1 . 2]" 1
528 1 40 CYS HB2 1 41 ILE H 3.005 . 4.110 3.634 3.331 3.836 . 0 0 "[ . 1 . 2]" 1
529 1 40 CYS HB2 1 44 THR H 3.650 . 5.500 4.739 4.143 5.304 . 0 0 "[ . 1 . 2]" 1
530 1 40 CYS HB2 1 44 THR HB 3.650 . 5.500 5.060 4.686 5.232 . 0 0 "[ . 1 . 2]" 1
531 1 40 CYS HB2 1 44 THR HG1 3.210 . 4.520 3.322 2.856 3.865 . 0 0 "[ . 1 . 2]" 1
532 1 40 CYS HB2 1 44 THR MG 4.165 . 6.530 5.455 5.198 5.516 . 0 0 "[ . 1 . 2]" 1
533 1 40 CYS HB2 1 54 CYS HB2 3.650 . 5.500 4.813 4.537 5.033 . 0 0 "[ . 1 . 2]" 1
534 1 40 CYS HB2 1 54 CYS HB3 3.570 . 5.340 3.997 3.790 4.158 . 0 0 "[ . 1 . 2]" 1
535 1 40 CYS HB3 1 41 ILE H 2.835 . 3.770 2.431 2.141 2.677 . 0 0 "[ . 1 . 2]" 1
536 1 40 CYS HB3 1 44 THR HG1 2.990 . 4.080 2.072 1.885 2.642 0.015 14 0 "[ . 1 . 2]" 1
537 1 40 CYS HB3 1 54 CYS HA 3.650 . 5.500 4.883 4.581 5.079 . 0 0 "[ . 1 . 2]" 1
538 1 40 CYS HB3 1 54 CYS HB3 3.225 . 4.550 2.629 2.461 2.812 . 0 0 "[ . 1 . 2]" 1
539 1 41 ILE H 1 42 SER H 3.240 . 4.580 4.602 4.572 4.625 0.045 9 0 "[ . 1 . 2]" 1
540 1 41 ILE H 1 44 THR HG1 3.595 . 5.290 2.515 2.360 2.726 . 0 0 "[ . 1 . 2]" 1
541 1 41 ILE H 1 44 THR MG 4.165 . 6.530 3.658 3.360 3.838 . 0 0 "[ . 1 . 2]" 1
542 1 41 ILE H 1 54 CYS HB3 3.650 . 5.500 3.959 3.479 4.380 . 0 0 "[ . 1 . 2]" 1
543 1 41 ILE HA 1 42 SER H 2.325 . 2.750 2.314 2.260 2.347 . 0 0 "[ . 1 . 2]" 1
544 1 41 ILE HA 1 42 SER HA 3.360 . 4.820 4.354 4.318 4.390 . 0 0 "[ . 1 . 2]" 1
545 1 41 ILE HA 1 44 THR HG1 3.650 . 5.500 4.256 3.978 4.490 . 0 0 "[ . 1 . 2]" 1
546 1 41 ILE HA 1 44 THR MG 4.165 . 6.530 4.816 4.546 5.120 . 0 0 "[ . 1 . 2]" 1
547 1 41 ILE HB 1 42 SER H 2.635 . 3.370 3.432 3.383 3.467 0.097 7 0 "[ . 1 . 2]" 1
548 1 41 ILE HB 1 42 SER QB 4.090 . 6.380 5.238 4.940 5.552 . 0 0 "[ . 1 . 2]" 1
549 1 41 ILE HB 1 44 THR HB 3.650 . 5.500 4.271 4.054 4.671 . 0 0 "[ . 1 . 2]" 1
550 1 41 ILE HB 1 44 THR HG1 3.650 . 5.500 2.957 2.273 3.345 . 0 0 "[ . 1 . 2]" 1
551 1 41 ILE HB 1 44 THR MG 4.085 . 6.370 2.320 1.978 2.670 . 0 0 "[ . 1 . 2]" 1
552 1 41 ILE MD 1 42 SER H 4.165 . 6.530 4.447 4.022 4.766 . 0 0 "[ . 1 . 2]" 1
553 1 41 ILE MD 1 44 THR HG1 4.165 . 6.530 4.374 3.341 4.945 . 0 0 "[ . 1 . 2]" 1
554 1 41 ILE MD 1 44 THR MG 4.680 . 7.560 3.302 2.347 4.400 . 0 0 "[ . 1 . 2]" 1
555 1 41 ILE QG 1 42 SER H 3.510 . 5.120 4.247 4.005 4.563 . 0 0 "[ . 1 . 2]" 1
556 1 41 ILE HG12 1 42 SER H 3.650 . 5.500 4.717 4.254 5.124 . 0 0 "[ . 1 . 2]" 1
557 1 41 ILE HG12 1 44 THR HG1 3.650 . 5.500 4.513 3.300 5.512 0.012 20 0 "[ . 1 . 2]" 1
558 1 41 ILE HG12 1 44 THR MG 4.165 . 6.530 3.843 2.543 4.794 . 0 0 "[ . 1 . 2]" 1
559 1 41 ILE HG13 1 42 SER H 3.650 . 5.500 4.897 4.311 5.119 . 0 0 "[ . 1 . 2]" 1
560 1 41 ILE HG13 1 44 THR HG1 3.650 . 5.500 4.484 3.511 5.499 . 0 0 "[ . 1 . 2]" 1
561 1 41 ILE HG13 1 44 THR MG 4.165 . 6.530 3.596 2.617 4.956 . 0 0 "[ . 1 . 2]" 1
562 1 41 ILE MG 1 42 SER H 3.320 . 4.740 1.853 1.779 1.958 0.121 3 0 "[ . 1 . 2]" 1
563 1 41 ILE MG 1 42 SER HA 4.165 . 6.530 4.102 3.969 4.245 . 0 0 "[ . 1 . 2]" 1
564 1 41 ILE MG 1 42 SER QB 4.600 . 7.400 3.429 3.103 3.873 . 0 0 "[ . 1 . 2]" 1
565 1 41 ILE MG 1 43 GLY H 4.165 . 6.530 4.486 4.190 4.804 . 0 0 "[ . 1 . 2]" 1
566 1 41 ILE MG 1 43 GLY QA 4.605 . 7.410 4.439 4.106 4.827 . 0 0 "[ . 1 . 2]" 1
567 1 41 ILE MG 1 44 THR H 4.165 . 6.530 4.175 3.905 4.765 . 0 0 "[ . 1 . 2]" 1
568 1 41 ILE MG 1 44 THR HG1 4.165 . 6.530 4.355 3.868 4.636 . 0 0 "[ . 1 . 2]" 1
569 1 41 ILE MG 1 44 THR MG 4.680 . 7.560 3.425 3.116 3.741 . 0 0 "[ . 1 . 2]" 1
570 1 42 SER H 1 43 GLY H 3.035 . 4.170 4.083 3.879 4.204 0.034 6 0 "[ . 1 . 2]" 1
571 1 42 SER H 1 44 THR H 3.570 . 5.340 4.440 4.279 4.831 . 0 0 "[ . 1 . 2]" 1
572 1 42 SER HA 1 43 GLY H 2.230 . 2.560 2.112 2.034 2.150 . 0 0 "[ . 1 . 2]" 1
573 1 42 SER HA 1 44 THR H 2.740 . 3.580 3.621 3.596 3.642 0.062 18 0 "[ . 1 . 2]" 1
574 1 42 SER HA 1 44 THR HG1 3.650 . 5.500 4.694 4.501 4.853 . 0 0 "[ . 1 . 2]" 1
575 1 42 SER QB 1 43 GLY QA 4.530 . 7.260 4.322 4.112 4.457 . 0 0 "[ . 1 . 2]" 1
576 1 42 SER QB 1 44 THR H 4.090 . 6.380 5.054 4.963 5.241 . 0 0 "[ . 1 . 2]" 1
577 1 43 GLY H 1 44 THR H 2.465 . 3.030 1.983 1.868 2.266 0.032 11 0 "[ . 1 . 2]" 1
578 1 43 GLY H 1 44 THR HG1 3.650 . 5.500 3.686 3.374 3.972 . 0 0 "[ . 1 . 2]" 1
579 1 43 GLY H 1 44 THR MG 4.165 . 6.530 4.146 4.013 4.364 . 0 0 "[ . 1 . 2]" 1
580 1 43 GLY QA 1 44 THR MG 4.605 . 7.410 3.466 3.344 3.614 . 0 0 "[ . 1 . 2]" 1
581 1 44 THR H 1 45 VAL H 3.235 2.100 4.370 4.414 4.372 4.451 0.081 19 0 "[ . 1 . 2]" 1
582 1 44 THR H 1 45 VAL HA 3.605 . 5.410 5.142 4.916 5.350 . 0 0 "[ . 1 . 2]" 1
583 1 44 THR H 1 45 VAL MG1 4.165 . 6.530 4.566 4.080 4.806 . 0 0 "[ . 1 . 2]" 1
584 1 44 THR HA 1 45 VAL H 2.400 . 2.900 2.225 2.089 2.589 . 0 0 "[ . 1 . 2]" 1
585 1 44 THR HB 1 45 VAL H 2.510 . 3.120 2.479 1.891 2.950 0.009 1 0 "[ . 1 . 2]" 1
586 1 44 THR HB 1 45 VAL HA 3.650 . 5.500 4.483 4.336 4.628 . 0 0 "[ . 1 . 2]" 1
587 1 44 THR HB 1 45 VAL MG1 4.165 . 6.530 4.923 4.752 5.205 . 0 0 "[ . 1 . 2]" 1
588 1 44 THR HB 1 45 VAL MG2 4.055 . 6.310 4.318 3.988 4.601 . 0 0 "[ . 1 . 2]" 1
589 1 44 THR HB 1 54 CYS HA 3.555 . 5.310 3.994 3.805 4.155 . 0 0 "[ . 1 . 2]" 1
590 1 44 THR HB 1 54 CYS HB2 2.960 . 4.020 2.674 2.425 3.120 . 0 0 "[ . 1 . 2]" 1
591 1 44 THR HB 1 54 CYS HB3 2.680 . 3.460 2.286 2.140 2.400 . 0 0 "[ . 1 . 2]" 1
592 1 44 THR HB 1 55 VAL H 3.270 . 4.640 3.251 3.015 3.472 . 0 0 "[ . 1 . 2]" 1
593 1 44 THR HB 1 55 VAL HB 3.650 . 5.500 5.527 5.425 5.559 0.059 3 0 "[ . 1 . 2]" 1
594 1 44 THR HB 1 55 VAL MG1 4.165 . 6.530 4.834 4.720 4.990 . 0 0 "[ . 1 . 2]" 1
595 1 44 THR HB 1 55 VAL MG2 4.165 . 6.530 4.720 4.449 4.923 . 0 0 "[ . 1 . 2]" 1
596 1 44 THR HB 1 56 HIS H 3.540 . 5.280 4.213 4.042 4.618 . 0 0 "[ . 1 . 2]" 1
597 1 44 THR HB 1 57 PRO QD 4.090 . 6.380 5.251 4.537 5.659 . 0 0 "[ . 1 . 2]" 1
598 1 44 THR HG1 1 45 VAL H 3.650 . 5.500 3.801 3.199 4.379 . 0 0 "[ . 1 . 2]" 1
599 1 44 THR HG1 1 54 CYS HB2 3.650 . 5.500 3.722 3.435 4.023 . 0 0 "[ . 1 . 2]" 1
600 1 44 THR HG1 1 54 CYS HB3 3.650 . 5.500 3.328 2.920 3.853 . 0 0 "[ . 1 . 2]" 1
601 1 44 THR HG1 1 55 VAL H 3.650 . 5.500 5.490 5.336 5.531 0.031 1 0 "[ . 1 . 2]" 1
602 1 44 THR MG 1 45 VAL H 3.605 . 5.410 3.714 3.502 3.893 . 0 0 "[ . 1 . 2]" 1
603 1 44 THR MG 1 45 VAL HA 4.165 . 6.530 5.497 5.430 5.544 . 0 0 "[ . 1 . 2]" 1
604 1 44 THR MG 1 54 CYS HA 4.165 . 6.530 5.227 4.941 5.429 . 0 0 "[ . 1 . 2]" 1
605 1 44 THR MG 1 54 CYS HB2 3.855 . 5.910 3.522 3.124 3.822 . 0 0 "[ . 1 . 2]" 1
606 1 44 THR MG 1 54 CYS HB3 3.685 . 5.570 3.871 3.639 4.029 . 0 0 "[ . 1 . 2]" 1
607 1 44 THR MG 1 55 VAL H 4.165 . 6.530 4.465 4.292 4.706 . 0 0 "[ . 1 . 2]" 1
608 1 44 THR MG 1 55 VAL HB 4.165 . 6.530 5.190 4.863 5.292 . 0 0 "[ . 1 . 2]" 1
609 1 44 THR MG 1 56 HIS H 3.900 . 6.000 3.159 2.839 3.728 . 0 0 "[ . 1 . 2]" 1
610 1 44 THR MG 1 56 HIS HB2 3.885 . 5.970 4.431 4.179 4.703 . 0 0 "[ . 1 . 2]" 1
611 1 44 THR MG 1 56 HIS HB3 3.840 . 5.880 4.465 4.218 4.692 . 0 0 "[ . 1 . 2]" 1
612 1 44 THR MG 1 56 HIS HD2 3.590 . 5.380 3.212 2.850 4.092 . 0 0 "[ . 1 . 2]" 1
613 1 44 THR MG 1 56 HIS HE1 4.085 . 6.370 2.815 2.569 3.242 . 0 0 "[ . 1 . 2]" 1
614 1 44 THR MG 1 57 PRO QD 4.460 . 7.120 4.360 3.568 4.761 . 0 0 "[ . 1 . 2]" 1
615 1 45 VAL H 1 46 LEU H 3.520 . 5.140 4.298 4.055 4.431 . 0 0 "[ . 1 . 2]" 1
616 1 45 VAL H 1 54 CYS HA 3.035 . 4.170 4.030 3.587 4.206 0.036 8 0 "[ . 1 . 2]" 1
617 1 45 VAL H 1 54 CYS HB2 3.650 . 5.500 4.338 3.658 4.748 . 0 0 "[ . 1 . 2]" 1
618 1 45 VAL H 1 54 CYS HB3 3.555 . 5.310 2.921 2.317 3.350 . 0 0 "[ . 1 . 2]" 1
619 1 45 VAL H 1 55 VAL H 2.570 . 3.240 2.728 2.318 2.993 . 0 0 "[ . 1 . 2]" 1
620 1 45 VAL H 1 55 VAL MG1 4.165 . 6.530 5.106 4.928 5.248 . 0 0 "[ . 1 . 2]" 1
621 1 45 VAL H 1 55 VAL MG2 4.165 . 6.530 3.799 3.652 4.117 . 0 0 "[ . 1 . 2]" 1
622 1 45 VAL H 1 57 PRO QD 4.090 . 6.380 3.954 3.400 4.655 . 0 0 "[ . 1 . 2]" 1
623 1 45 VAL HA 1 46 LEU H 2.665 . 3.430 2.125 2.003 2.221 . 0 0 "[ . 1 . 2]" 1
624 1 45 VAL HB 1 46 LEU H 2.525 . 3.150 3.075 2.841 3.171 0.021 15 0 "[ . 1 . 2]" 1
625 1 45 VAL HB 1 55 VAL H 3.650 . 5.500 5.005 4.781 5.198 . 0 0 "[ . 1 . 2]" 1
626 1 45 VAL MG1 1 46 LEU H 3.790 . 5.780 3.765 3.605 3.975 . 0 0 "[ . 1 . 2]" 1
627 1 45 VAL MG1 1 57 PRO HA 4.165 . 6.530 4.237 3.602 4.638 . 0 0 "[ . 1 . 2]" 1
628 1 45 VAL MG1 1 57 PRO HB2 4.165 . 6.530 5.092 3.859 5.347 . 0 0 "[ . 1 . 2]" 1
629 1 45 VAL MG1 1 57 PRO QB 3.830 . 5.860 3.578 2.393 3.886 . 0 0 "[ . 1 . 2]" 1
630 1 45 VAL MG1 1 57 PRO HB3 4.165 . 6.530 3.656 2.417 3.990 . 0 0 "[ . 1 . 2]" 1
631 1 45 VAL MG1 1 57 PRO QD 4.600 . 7.400 2.849 2.475 3.351 . 0 0 "[ . 1 . 2]" 1
632 1 45 VAL MG1 1 57 PRO HG2 4.165 . 6.530 5.214 4.439 5.318 . 0 0 "[ . 1 . 2]" 1
633 1 45 VAL MG1 1 57 PRO QG 4.080 . 6.360 3.965 3.147 4.128 . 0 0 "[ . 1 . 2]" 1
634 1 45 VAL MG1 1 57 PRO HG3 4.165 . 6.530 4.112 3.219 4.302 . 0 0 "[ . 1 . 2]" 1
635 1 45 VAL MG2 1 46 LEU H 3.620 . 5.440 4.042 3.927 4.116 . 0 0 "[ . 1 . 2]" 1
636 1 45 VAL MG2 1 47 LYS H 4.165 . 6.530 4.477 3.965 5.220 . 0 0 "[ . 1 . 2]" 1
637 1 45 VAL MG2 1 47 LYS HA 3.995 . 6.190 3.861 3.342 4.442 . 0 0 "[ . 1 . 2]" 1
638 1 45 VAL MG2 1 54 CYS HA 4.165 . 6.530 4.424 4.283 4.768 . 0 0 "[ . 1 . 2]" 1
639 1 45 VAL MG2 1 55 VAL H 4.165 . 6.530 3.191 3.025 3.507 . 0 0 "[ . 1 . 2]" 1
640 1 45 VAL MG2 1 55 VAL MG1 4.680 . 7.560 4.765 4.467 5.020 . 0 0 "[ . 1 . 2]" 1
641 1 45 VAL MG2 1 56 HIS HB2 4.165 . 6.530 5.318 4.983 5.428 . 0 0 "[ . 1 . 2]" 1
642 1 45 VAL MG2 1 57 PRO HA 4.165 . 6.530 2.939 2.364 3.317 . 0 0 "[ . 1 . 2]" 1
643 1 45 VAL MG2 1 57 PRO QB 4.605 . 7.410 3.396 2.674 3.995 . 0 0 "[ . 1 . 2]" 1
644 1 45 VAL MG2 1 57 PRO QD 4.600 . 7.400 2.795 2.233 3.009 . 0 0 "[ . 1 . 2]" 1
645 1 45 VAL MG2 1 57 PRO QG 4.605 . 7.410 4.192 3.671 4.538 . 0 0 "[ . 1 . 2]" 1
646 1 46 LEU H 1 47 LYS H 3.225 . 4.550 4.336 4.191 4.554 0.004 14 0 "[ . 1 . 2]" 1
647 1 46 LEU H 1 54 CYS HB2 3.605 . 5.410 5.236 4.776 5.433 0.023 3 0 "[ . 1 . 2]" 1
648 1 46 LEU HA 1 47 LYS H 2.340 . 2.780 2.122 2.055 2.187 . 0 0 "[ . 1 . 2]" 1
649 1 46 LEU HA 1 47 LYS HA 3.570 . 5.340 4.425 4.357 4.501 . 0 0 "[ . 1 . 2]" 1
650 1 46 LEU HA 1 54 CYS H 3.410 . 4.920 4.212 3.708 4.584 . 0 0 "[ . 1 . 2]" 1
651 1 46 LEU HA 1 54 CYS HA 2.835 . 3.770 2.134 1.980 2.404 . 0 0 "[ . 1 . 2]" 1
652 1 46 LEU HA 1 55 VAL H 2.990 . 4.080 3.816 3.505 4.087 0.007 8 0 "[ . 1 . 2]" 1
653 1 46 LEU HA 1 55 VAL MG2 4.165 . 6.530 4.629 4.337 5.181 . 0 0 "[ . 1 . 2]" 1
654 1 46 LEU QB 1 47 LYS H 4.090 . 6.380 3.876 3.614 4.004 . 0 0 "[ . 1 . 2]" 1
655 1 46 LEU QD 1 47 LYS H 3.700 . 5.600 2.948 2.464 3.219 . 0 0 "[ . 1 . 2]" 1
656 1 46 LEU QD 1 49 LYS HA 4.950 . 8.100 4.462 3.904 4.850 . 0 0 "[ . 1 . 2]" 1
657 1 46 LEU QD 1 50 ASP H 4.950 . 8.100 3.734 3.412 3.945 . 0 0 "[ . 1 . 2]" 1
658 1 46 LEU QD 1 50 ASP HA 4.950 . 8.100 2.159 1.947 2.467 . 0 0 "[ . 1 . 2]" 1
659 1 46 LEU QD 1 51 SER QB 4.925 . 8.050 2.478 2.293 2.704 . 0 0 "[ . 1 . 2]" 1
660 1 46 LEU QD 1 52 SER H 4.950 . 8.100 2.957 2.745 3.382 . 0 0 "[ . 1 . 2]" 1
661 1 46 LEU QD 1 52 SER QB 4.285 . 6.770 3.919 3.711 4.226 . 0 0 "[ . 1 . 2]" 1
662 1 46 LEU QD 1 53 GLU QB 5.385 . 8.970 4.200 3.962 4.468 . 0 0 "[ . 1 . 2]" 1
663 1 46 LEU QD 1 54 CYS HA 4.485 . 7.170 3.265 3.014 3.664 . 0 0 "[ . 1 . 2]" 1
664 1 46 LEU QD 1 54 CYS HB3 4.950 . 8.100 4.291 4.047 4.453 . 0 0 "[ . 1 . 2]" 1
665 1 46 LEU MD1 1 47 LYS H 4.115 . 6.430 2.973 2.477 3.253 . 0 0 "[ . 1 . 2]" 1
666 1 46 LEU MD1 1 48 SER H 4.165 . 6.530 3.940 3.693 4.147 . 0 0 "[ . 1 . 2]" 1
667 1 46 LEU MD1 1 51 SER H 4.165 . 6.530 3.215 2.997 3.409 . 0 0 "[ . 1 . 2]" 1
668 1 46 LEU MD1 1 51 SER HB2 5.735 . 9.670 3.995 3.789 4.222 . 0 0 "[ . 1 . 2]" 1
669 1 46 LEU MD1 1 51 SER HB3 5.735 . 9.670 2.576 2.352 2.866 . 0 0 "[ . 1 . 2]" 1
670 1 46 LEU MD1 1 52 SER HB2 5.040 . 8.280 4.575 4.319 4.938 . 0 0 "[ . 1 . 2]" 1
671 1 46 LEU MD1 1 52 SER HB3 5.040 . 8.280 4.538 4.200 4.855 . 0 0 "[ . 1 . 2]" 1
672 1 46 LEU MD1 1 53 GLU H 4.165 . 6.530 2.659 2.027 3.322 . 0 0 "[ . 1 . 2]" 1
673 1 46 LEU MD2 1 47 LYS H 4.115 . 6.430 4.900 4.437 5.131 . 0 0 "[ . 1 . 2]" 1
674 1 46 LEU MD2 1 48 SER H 4.165 . 6.530 4.100 3.654 4.472 . 0 0 "[ . 1 . 2]" 1
675 1 46 LEU MD2 1 51 SER H 4.165 . 6.530 2.303 2.025 2.484 . 0 0 "[ . 1 . 2]" 1
676 1 46 LEU MD2 1 51 SER HB2 5.735 . 9.670 4.343 4.116 4.504 . 0 0 "[ . 1 . 2]" 1
677 1 46 LEU MD2 1 51 SER HB3 5.735 . 9.670 3.584 3.390 3.781 . 0 0 "[ . 1 . 2]" 1
678 1 46 LEU MD2 1 52 SER HB2 5.040 . 8.280 5.981 5.076 6.659 . 0 0 "[ . 1 . 2]" 1
679 1 46 LEU MD2 1 52 SER HB3 5.040 . 8.280 5.832 5.162 6.368 . 0 0 "[ . 1 . 2]" 1
680 1 46 LEU MD2 1 53 GLU H 4.165 . 6.530 4.906 4.255 5.405 . 0 0 "[ . 1 . 2]" 1
681 1 47 LYS H 1 48 SER H 2.725 . 3.550 3.361 2.911 3.609 0.059 19 0 "[ . 1 . 2]" 1
682 1 47 LYS H 1 51 SER H 3.650 . 5.500 5.170 4.690 5.503 0.003 7 0 "[ . 1 . 2]" 1
683 1 47 LYS H 1 51 SER QB 3.965 . 6.130 3.220 2.780 3.567 . 0 0 "[ . 1 . 2]" 1
684 1 47 LYS H 1 53 GLU QB 4.090 . 6.380 4.586 4.194 5.307 . 0 0 "[ . 1 . 2]" 1
685 1 47 LYS H 1 54 CYS HA 2.740 . 3.580 2.167 1.888 2.531 0.012 16 0 "[ . 1 . 2]" 1
686 1 47 LYS H 1 55 VAL H 3.085 . 4.270 3.262 2.597 4.141 . 0 0 "[ . 1 . 2]" 1
687 1 47 LYS H 1 55 VAL MG2 3.960 . 6.120 3.279 2.718 4.152 . 0 0 "[ . 1 . 2]" 1
688 1 47 LYS HA 1 55 VAL MG1 4.040 . 6.280 3.957 3.296 4.684 . 0 0 "[ . 1 . 2]" 1
689 1 47 LYS HA 1 55 VAL MG2 3.240 . 4.580 2.379 1.956 2.891 . 0 0 "[ . 1 . 2]" 1
690 1 47 LYS QB 1 48 SER H 2.790 . 3.680 2.429 2.008 2.733 . 0 0 "[ . 1 . 2]" 1
691 1 47 LYS QB 1 48 SER QB 4.525 . 7.250 3.901 3.500 4.071 . 0 0 "[ . 1 . 2]" 1
692 1 47 LYS QB 1 51 SER H 4.090 . 6.380 4.377 4.207 4.516 . 0 0 "[ . 1 . 2]" 1
693 1 47 LYS QB 1 51 SER QB 4.030 . 6.260 2.102 2.005 2.232 . 0 0 "[ . 1 . 2]" 1
694 1 47 LYS QB 1 52 SER H 4.090 . 6.380 3.757 3.377 3.979 . 0 0 "[ . 1 . 2]" 1
695 1 47 LYS QB 1 53 GLU H 3.405 . 4.910 3.557 3.317 3.823 . 0 0 "[ . 1 . 2]" 1
696 1 47 LYS QB 1 53 GLU HA 4.090 . 6.380 5.167 4.837 5.641 . 0 0 "[ . 1 . 2]" 1
697 1 47 LYS QB 1 53 GLU QB 4.530 . 7.260 3.567 2.971 4.609 . 0 0 "[ . 1 . 2]" 1
698 1 47 LYS QB 1 55 VAL MG2 3.845 . 5.890 3.095 2.617 4.088 . 0 0 "[ . 1 . 2]" 1
699 1 47 LYS HB2 1 48 SER H 3.020 . 4.140 3.691 2.076 4.034 . 0 0 "[ . 1 . 2]" 1
700 1 47 LYS HB2 1 51 SER HB2 4.525 . 7.250 4.056 2.497 4.469 . 0 0 "[ . 1 . 2]" 1
701 1 47 LYS HB2 1 51 SER HB3 4.525 . 7.250 3.598 2.160 3.939 . 0 0 "[ . 1 . 2]" 1
702 1 47 LYS HB2 1 53 GLU H 3.650 . 5.500 4.201 3.506 4.568 . 0 0 "[ . 1 . 2]" 1
703 1 47 LYS HB3 1 48 SER H 3.020 . 4.140 2.539 2.097 3.664 . 0 0 "[ . 1 . 2]" 1
704 1 47 LYS HB3 1 51 SER HB2 4.525 . 7.250 2.591 2.325 3.680 . 0 0 "[ . 1 . 2]" 1
705 1 47 LYS HB3 1 51 SER HB3 4.525 . 7.250 2.468 2.154 3.932 . 0 0 "[ . 1 . 2]" 1
706 1 47 LYS HB3 1 53 GLU H 3.650 . 5.500 3.954 3.556 5.183 . 0 0 "[ . 1 . 2]" 1
707 1 47 LYS QD 1 48 SER H 4.090 . 6.380 4.504 3.904 5.411 . 0 0 "[ . 1 . 2]" 1
708 1 47 LYS QG 1 48 SER H 3.655 . 5.510 3.336 2.948 4.014 . 0 0 "[ . 1 . 2]" 1
709 1 47 LYS QG 1 48 SER HA 4.090 . 6.380 4.225 3.762 5.857 . 0 0 "[ . 1 . 2]" 1
710 1 47 LYS QG 1 48 SER QB 4.530 . 7.260 3.746 3.312 5.543 . 0 0 "[ . 1 . 2]" 1
711 1 47 LYS QG 1 51 SER H 4.090 . 6.380 5.578 5.372 5.751 . 0 0 "[ . 1 . 2]" 1
712 1 47 LYS QG 1 51 SER QB 4.530 . 7.260 3.263 3.095 3.408 . 0 0 "[ . 1 . 2]" 1
713 1 47 LYS QG 1 53 GLU H 4.090 . 6.380 5.194 3.345 5.731 . 0 0 "[ . 1 . 2]" 1
714 1 48 SER H 1 49 LYS H 3.270 . 4.640 4.386 4.356 4.442 . 0 0 "[ . 1 . 2]" 1
715 1 48 SER H 1 51 SER H 3.055 . 4.210 2.930 2.777 3.118 . 0 0 "[ . 1 . 2]" 1
716 1 48 SER H 1 51 SER HA 3.470 . 5.040 4.375 4.278 4.539 . 0 0 "[ . 1 . 2]" 1
717 1 48 SER H 1 51 SER QB 3.025 . 4.150 1.901 1.805 2.044 0.095 19 0 "[ . 1 . 2]" 1
718 1 48 SER HA 1 49 LYS H 2.370 . 2.840 2.410 2.299 2.525 . 0 0 "[ . 1 . 2]" 1
719 1 48 SER HA 1 49 LYS QB 3.765 . 5.730 4.504 4.160 4.809 . 0 0 "[ . 1 . 2]" 1
720 1 48 SER HA 1 50 ASP H 2.990 . 4.080 4.168 4.100 4.223 0.143 2 0 "[ . 1 . 2]" 1
721 1 48 SER QB 1 49 LYS H 2.550 . 3.200 2.139 2.000 2.239 . 0 0 "[ . 1 . 2]" 1
722 1 48 SER QB 1 49 LYS QB 4.525 . 7.250 3.554 3.277 4.020 . 0 0 "[ . 1 . 2]" 1
723 1 48 SER QB 1 50 ASP H 3.780 . 5.760 2.724 2.536 2.897 . 0 0 "[ . 1 . 2]" 1
724 1 48 SER QB 1 50 ASP QB 4.525 . 7.250 4.700 4.389 4.908 . 0 0 "[ . 1 . 2]" 1
725 1 48 SER HB2 1 49 LYS H 2.695 . 3.490 3.311 3.193 3.412 . 0 0 "[ . 1 . 2]" 1
726 1 48 SER HB3 1 49 LYS H 2.695 . 3.490 2.167 2.021 2.270 . 0 0 "[ . 1 . 2]" 1
727 1 49 LYS H 1 50 ASP H 2.725 . 3.550 2.903 2.775 3.039 . 0 0 "[ . 1 . 2]" 1
728 1 49 LYS H 1 51 SER H 3.380 . 4.860 4.844 4.601 4.898 0.038 15 0 "[ . 1 . 2]" 1
729 1 49 LYS HA 1 50 ASP H 2.695 . 3.490 3.438 3.414 3.459 . 0 0 "[ . 1 . 2]" 1
730 1 49 LYS HA 1 50 ASP QB 3.510 . 5.120 4.472 4.426 4.558 . 0 0 "[ . 1 . 2]" 1
731 1 49 LYS QB 1 50 ASP H 2.825 . 3.750 2.926 2.553 3.467 . 0 0 "[ . 1 . 2]" 1
732 1 49 LYS QB 1 50 ASP QB 3.555 . 5.210 3.442 3.224 3.700 . 0 0 "[ . 1 . 2]" 1
733 1 49 LYS HB2 1 50 ASP H 2.945 . 3.990 3.549 2.802 4.007 0.017 13 0 "[ . 1 . 2]" 1
734 1 49 LYS HB3 1 50 ASP H 2.945 . 3.990 3.428 2.594 3.977 . 0 0 "[ . 1 . 2]" 1
735 1 49 LYS QD 1 50 ASP H 4.090 . 6.380 4.466 1.799 5.620 0.001 9 0 "[ . 1 . 2]" 1
736 1 49 LYS QG 1 50 ASP H 3.965 . 6.130 3.821 2.145 4.729 . 0 0 "[ . 1 . 2]" 1
737 1 50 ASP H 1 51 SER H 2.480 . 3.060 2.644 2.501 2.826 . 0 0 "[ . 1 . 2]" 1
738 1 50 ASP H 1 51 SER HA 3.650 . 5.500 4.239 4.181 4.383 . 0 0 "[ . 1 . 2]" 1
739 1 50 ASP H 1 51 SER QB 4.090 . 6.380 3.721 3.610 3.838 . 0 0 "[ . 1 . 2]" 1
740 1 50 ASP HA 1 51 SER H 2.665 . 3.430 2.579 2.462 2.777 . 0 0 "[ . 1 . 2]" 1
741 1 50 ASP QB 1 51 SER H 3.260 . 4.620 4.046 4.017 4.100 . 0 0 "[ . 1 . 2]" 1
742 1 50 ASP HB2 1 51 SER H 3.330 . 4.760 4.688 4.642 4.739 . 0 0 "[ . 1 . 2]" 1
743 1 50 ASP HB3 1 51 SER H 3.330 . 4.760 4.422 4.354 4.489 . 0 0 "[ . 1 . 2]" 1
744 1 51 SER H 1 52 SER H 3.100 . 4.300 4.285 4.129 4.314 0.014 1 0 "[ . 1 . 2]" 1
745 1 51 SER H 1 53 GLU H 3.650 . 5.500 5.147 4.824 5.522 0.022 11 0 "[ . 1 . 2]" 1
746 1 51 SER HA 1 52 SER H 2.400 . 2.900 2.932 2.908 2.979 0.079 11 0 "[ . 1 . 2]" 1
747 1 51 SER QB 1 52 SER H 3.085 . 4.270 2.582 2.380 2.656 . 0 0 "[ . 1 . 2]" 1
748 1 51 SER QB 1 53 GLU QB 4.530 . 7.260 4.574 4.050 5.407 . 0 0 "[ . 1 . 2]" 1
749 1 51 SER HB2 1 52 SER H 3.330 . 4.760 3.520 3.432 3.554 . 0 0 "[ . 1 . 2]" 1
750 1 51 SER HB3 1 52 SER H 3.330 . 4.760 2.657 2.427 2.742 . 0 0 "[ . 1 . 2]" 1
751 1 52 SER H 1 53 GLU QB 3.515 . 5.230 3.791 3.249 4.491 . 0 0 "[ . 1 . 2]" 1
752 1 52 SER H 1 53 GLU QG 4.090 . 6.380 4.502 2.477 5.620 . 0 0 "[ . 1 . 2]" 1
753 1 52 SER QB 1 53 GLU H 3.135 . 4.370 3.574 2.934 3.996 . 0 0 "[ . 1 . 2]" 1
754 1 52 SER QB 1 53 GLU HA 4.090 . 6.380 4.695 4.294 4.997 . 0 0 "[ . 1 . 2]" 1
755 1 52 SER HB2 1 53 GLU H 3.285 . 4.670 4.123 3.040 4.566 . 0 0 "[ . 1 . 2]" 1
756 1 52 SER HB3 1 53 GLU H 3.285 . 4.670 4.017 3.009 4.518 . 0 0 "[ . 1 . 2]" 1
757 1 53 GLU H 1 54 CYS H 3.395 . 4.890 4.293 3.878 4.536 . 0 0 "[ . 1 . 2]" 1
758 1 53 GLU HA 1 54 CYS H 2.260 . 2.620 2.173 2.061 2.504 . 0 0 "[ . 1 . 2]" 1
759 1 53 GLU QB 1 55 VAL MG1 4.600 . 7.400 3.751 3.204 4.392 . 0 0 "[ . 1 . 2]" 1
760 1 53 GLU QB 1 55 VAL MG2 4.600 . 7.400 5.124 4.841 5.399 . 0 0 "[ . 1 . 2]" 1
761 1 53 GLU QG 1 55 VAL MG1 4.605 . 7.410 4.209 2.547 5.502 . 0 0 "[ . 1 . 2]" 1
762 1 53 GLU HG2 1 54 CYS H 3.650 . 5.500 3.845 2.389 5.046 . 0 0 "[ . 1 . 2]" 1
763 1 53 GLU HG3 1 54 CYS H 3.650 . 5.500 4.349 2.589 5.270 . 0 0 "[ . 1 . 2]" 1
764 1 54 CYS H 1 55 VAL H 3.210 . 4.520 4.465 4.355 4.540 0.020 11 0 "[ . 1 . 2]" 1
765 1 54 CYS HA 1 55 VAL H 2.385 . 2.870 2.134 2.032 2.294 . 0 0 "[ . 1 . 2]" 1
766 1 54 CYS HA 1 55 VAL MG1 4.165 . 6.530 3.608 3.439 3.761 . 0 0 "[ . 1 . 2]" 1
767 1 54 CYS HA 1 55 VAL MG2 3.685 . 5.570 3.427 3.217 3.791 . 0 0 "[ . 1 . 2]" 1
768 1 54 CYS HB2 1 55 VAL H 3.085 . 4.270 3.827 3.507 4.096 . 0 0 "[ . 1 . 2]" 1
769 1 54 CYS HB2 1 55 VAL MG1 4.165 . 6.530 4.934 4.745 5.295 . 0 0 "[ . 1 . 2]" 1
770 1 54 CYS HB3 1 55 VAL H 2.930 . 3.960 2.903 2.524 3.255 . 0 0 "[ . 1 . 2]" 1
771 1 55 VAL H 1 56 HIS H 3.270 . 4.640 4.397 4.282 4.557 . 0 0 "[ . 1 . 2]" 1
772 1 55 VAL HA 1 56 HIS H 2.370 . 2.840 2.283 2.193 2.437 . 0 0 "[ . 1 . 2]" 1
773 1 55 VAL HB 1 56 HIS H 2.570 . 3.240 2.846 2.408 3.084 . 0 0 "[ . 1 . 2]" 1
774 1 55 VAL HB 1 56 HIS HD2 3.650 . 5.500 4.714 4.278 5.026 . 0 0 "[ . 1 . 2]" 1
775 1 55 VAL HB 1 59 LYS QD 4.090 . 6.380 2.458 1.919 3.525 . 0 0 "[ . 1 . 2]" 1
776 1 55 VAL HB 1 60 CYS H 3.650 . 5.500 3.950 3.298 5.249 . 0 0 "[ . 1 . 2]" 1
777 1 55 VAL HB 1 60 CYS HB2 3.650 . 5.500 5.545 5.214 5.641 0.141 4 0 "[ . 1 . 2]" 1
778 1 55 VAL MG1 1 56 HIS H 3.460 . 5.020 3.859 3.704 4.012 . 0 0 "[ . 1 . 2]" 1
779 1 55 VAL MG1 1 56 HIS HD2 4.165 . 6.530 4.979 4.751 5.188 . 0 0 "[ . 1 . 2]" 1
780 1 55 VAL MG1 1 59 LYS QB 4.420 . 7.040 3.791 3.111 5.209 . 0 0 "[ . 1 . 2]" 1
781 1 55 VAL MG2 1 56 HIS H 3.575 . 5.350 3.766 3.294 4.033 . 0 0 "[ . 1 . 2]" 1
782 1 55 VAL MG2 1 57 PRO HA 4.100 . 6.400 4.513 4.260 4.846 . 0 0 "[ . 1 . 2]" 1
783 1 55 VAL MG2 1 57 PRO QD 4.600 . 7.400 5.083 4.887 5.280 . 0 0 "[ . 1 . 2]" 1
784 1 55 VAL MG2 1 59 LYS H 4.165 . 6.530 4.446 4.034 4.850 . 0 0 "[ . 1 . 2]" 1
785 1 55 VAL MG2 1 59 LYS HB2 4.165 . 6.530 3.668 2.789 4.998 . 0 0 "[ . 1 . 2]" 1
786 1 55 VAL MG2 1 59 LYS QB 3.755 . 5.710 3.426 2.688 4.172 . 0 0 "[ . 1 . 2]" 1
787 1 55 VAL MG2 1 59 LYS HB3 4.165 . 6.530 4.291 3.517 5.197 . 0 0 "[ . 1 . 2]" 1
788 1 55 VAL MG2 1 59 LYS QD 4.600 . 7.400 3.703 2.139 4.510 . 0 0 "[ . 1 . 2]" 1
789 1 55 VAL MG2 1 60 CYS H 4.165 . 6.530 3.254 2.811 3.563 . 0 0 "[ . 1 . 2]" 1
790 1 55 VAL MG2 1 60 CYS HA 3.595 . 5.290 2.968 2.015 4.423 . 0 0 "[ . 1 . 2]" 1
791 1 55 VAL MG2 1 60 CYS HB2 4.165 . 6.530 3.784 2.895 4.224 . 0 0 "[ . 1 . 2]" 1
792 1 55 VAL MG2 1 60 CYS HB3 4.165 . 6.530 3.952 3.527 4.378 . 0 0 "[ . 1 . 2]" 1
793 1 56 HIS H 1 57 PRO QD 4.090 . 6.380 4.429 4.345 4.475 . 0 0 "[ . 1 . 2]" 1
794 1 56 HIS H 1 58 SER H 3.650 . 5.500 4.940 4.449 5.228 . 0 0 "[ . 1 . 2]" 1
795 1 56 HIS H 1 59 LYS H 3.470 . 5.040 4.351 3.757 4.976 . 0 0 "[ . 1 . 2]" 1
796 1 56 HIS H 1 59 LYS QD 4.090 . 6.380 2.187 1.774 3.873 0.026 3 0 "[ . 1 . 2]" 1
797 1 56 HIS H 1 59 LYS QG 4.090 . 6.380 3.320 2.545 4.040 . 0 0 "[ . 1 . 2]" 1
798 1 56 HIS HA 1 59 LYS H 3.535 . 5.170 4.733 4.461 5.195 0.025 12 0 "[ . 1 . 2]" 1
799 1 56 HIS HB2 1 57 PRO QG 4.090 . 6.380 4.735 4.422 5.344 . 0 0 "[ . 1 . 2]" 1
800 1 56 HIS HB2 1 58 SER H 2.865 . 3.830 3.039 2.607 3.321 . 0 0 "[ . 1 . 2]" 1
801 1 56 HIS HB2 1 58 SER HA 3.650 . 5.500 5.303 4.938 5.504 0.004 4 0 "[ . 1 . 2]" 1
802 1 56 HIS HB2 1 59 LYS H 2.850 . 3.800 3.149 2.788 3.802 0.002 13 0 "[ . 1 . 2]" 1
803 1 56 HIS HB2 1 59 LYS QB 4.090 . 6.380 3.697 1.982 4.964 . 0 0 "[ . 1 . 2]" 1
804 1 56 HIS HB2 1 59 LYS QD 3.840 . 5.880 2.790 1.918 4.346 . 0 0 "[ . 1 . 2]" 1
805 1 56 HIS HB2 1 59 LYS QG 4.090 . 6.380 2.808 2.039 4.120 . 0 0 "[ . 1 . 2]" 1
806 1 56 HIS HB3 1 57 PRO QD 3.520 . 5.140 2.164 2.037 2.567 . 0 0 "[ . 1 . 2]" 1
807 1 56 HIS HB3 1 57 PRO QG 4.090 . 6.380 3.425 3.181 4.016 . 0 0 "[ . 1 . 2]" 1
808 1 56 HIS HB3 1 58 SER H 2.695 . 3.490 2.544 2.138 2.733 . 0 0 "[ . 1 . 2]" 1
809 1 56 HIS HB3 1 59 LYS H 3.210 . 4.520 3.941 3.553 4.455 . 0 0 "[ . 1 . 2]" 1
810 1 56 HIS HB3 1 59 LYS QD 4.090 . 6.380 4.278 3.434 5.758 . 0 0 "[ . 1 . 2]" 1
811 1 56 HIS HB3 1 59 LYS QG 4.090 . 6.380 4.283 3.512 5.648 . 0 0 "[ . 1 . 2]" 1
812 1 56 HIS HD2 1 57 PRO QD 4.090 . 6.380 5.349 5.240 5.485 . 0 0 "[ . 1 . 2]" 1
813 1 57 PRO HA 1 59 LYS H 3.100 . 4.300 3.913 3.557 4.097 . 0 0 "[ . 1 . 2]" 1
814 1 57 PRO HA 1 60 CYS H 3.005 . 4.110 3.483 2.961 3.781 . 0 0 "[ . 1 . 2]" 1
815 1 57 PRO HA 1 60 CYS HB2 3.605 . 5.410 2.745 2.205 3.734 . 0 0 "[ . 1 . 2]" 1
816 1 57 PRO HA 1 60 CYS HB3 3.470 . 5.040 4.060 3.378 5.045 0.005 12 0 "[ . 1 . 2]" 1
817 1 57 PRO QB 1 58 SER H 3.180 . 4.460 3.328 3.057 3.873 . 0 0 "[ . 1 . 2]" 1
818 1 57 PRO QG 1 58 SER H 3.535 . 5.170 2.656 2.367 3.507 . 0 0 "[ . 1 . 2]" 1
819 1 58 SER H 1 59 LYS H 2.585 . 3.270 2.548 2.132 2.957 . 0 0 "[ . 1 . 2]" 1
820 1 58 SER H 1 60 CYS H 3.115 . 4.330 4.033 3.283 4.345 0.015 13 0 "[ . 1 . 2]" 1
821 1 58 SER HA 1 59 LYS QG 4.090 . 6.380 5.184 4.590 5.847 . 0 0 "[ . 1 . 2]" 1
822 1 58 SER HB2 1 59 LYS H 3.225 . 4.550 4.028 3.695 4.453 . 0 0 "[ . 1 . 2]" 1
823 1 58 SER HB3 1 59 LYS H 3.650 . 5.500 4.176 3.802 4.542 . 0 0 "[ . 1 . 2]" 1
824 1 59 LYS H 1 60 CYS H 2.385 . 2.870 2.093 1.853 2.312 0.047 12 0 "[ . 1 . 2]" 1
825 1 59 LYS H 1 60 CYS HB3 3.650 . 5.500 5.486 5.104 5.549 0.049 2 0 "[ . 1 . 2]" 1
826 1 59 LYS QB 1 60 CYS H 2.915 . 3.930 2.700 1.953 3.598 . 0 0 "[ . 1 . 2]" 1
827 1 59 LYS QB 1 60 CYS HA 4.090 . 6.380 3.950 3.519 4.490 . 0 0 "[ . 1 . 2]" 1
828 1 59 LYS HB2 1 60 CYS H 3.035 . 4.170 2.888 1.969 3.940 . 0 0 "[ . 1 . 2]" 1
829 1 59 LYS HB3 1 60 CYS H 3.035 . 4.170 3.629 2.684 4.180 0.010 7 0 "[ . 1 . 2]" 1
830 1 59 LYS QD 1 60 CYS H 4.090 . 6.380 4.126 3.523 4.632 . 0 0 "[ . 1 . 2]" 1
831 1 59 LYS QD 1 60 CYS HA 4.090 . 6.380 5.534 4.922 5.792 . 0 0 "[ . 1 . 2]" 1
832 1 59 LYS QG 1 60 CYS H 4.090 . 6.380 3.476 2.029 4.614 . 0 0 "[ . 1 . 2]" 1
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