NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439294 |
2k6a   |
15863 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k6a
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 698
_Distance_constraint_stats_list.Viol_count 268
_Distance_constraint_stats_list.Viol_total 575.013
_Distance_constraint_stats_list.Viol_max 0.801
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.1073
_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 SER 1.662 0.596 6 1 "[ .+ 1 . 2]"
1 2 ALA 1.662 0.596 6 1 "[ .+ 1 . 2]"
1 3 THR 1.587 0.264 3 0 "[ . 1 . 2]"
1 4 THR 1.579 0.347 1 0 "[ . 1 . 2]"
1 5 ILE 5.117 0.801 11 5 "[ . ** 1+ * -2]"
1 6 GLY 0.341 0.341 17 0 "[ . 1 . 2]"
1 7 PRO 0.056 0.056 10 0 "[ . 1 . 2]"
1 8 ASN 0.446 0.119 4 0 "[ . 1 . 2]"
1 9 THR 1.448 0.526 19 1 "[ . 1 . +2]"
1 10 CYS 0.003 0.003 2 0 "[ . 1 . 2]"
1 11 SER 0.217 0.217 19 0 "[ . 1 . 2]"
1 12 ILE 0.311 0.074 13 0 "[ . 1 . 2]"
1 13 ASP 0.038 0.038 4 0 "[ . 1 . 2]"
1 14 ASP 0.027 0.027 5 0 "[ . 1 . 2]"
1 15 TYR 1.025 0.363 4 0 "[ . 1 . 2]"
1 16 LYS 0.586 0.310 11 0 "[ . 1 . 2]"
1 17 PRO 1.038 0.363 4 0 "[ . 1 . 2]"
1 18 TYR 0.062 0.028 5 0 "[ . 1 . 2]"
1 19 CYS 0.270 0.270 8 0 "[ . 1 . 2]"
1 20 CYS 0.668 0.546 6 1 "[ .+ 1 . 2]"
1 21 GLN 0.360 0.155 7 0 "[ . 1 . 2]"
1 22 SER 0.538 0.538 8 1 "[ . + 1 . 2]"
1 23 MET 1.211 0.363 4 0 "[ . 1 . 2]"
1 24 SER 0.088 0.057 10 0 "[ . 1 . 2]"
1 25 GLY 0.030 0.030 7 0 "[ . 1 . 2]"
1 26 SER 1.372 0.538 8 1 "[ . + 1 . 2]"
1 27 ALA 0.217 0.217 19 0 "[ . 1 . 2]"
1 28 SER 1.137 0.363 4 0 "[ . 1 . 2]"
1 29 LEU 1.318 0.546 6 2 "[ .+ - 1 . 2]"
1 30 GLY 0.281 0.155 7 0 "[ . 1 . 2]"
1 31 CYS 0.092 0.032 10 0 "[ . 1 . 2]"
1 32 VAL 0.270 0.270 8 0 "[ . 1 . 2]"
1 33 VAL 0.175 0.044 18 0 "[ . 1 . 2]"
1 34 GLY 0.177 0.037 11 0 "[ . 1 . 2]"
1 35 VAL 1.580 0.801 11 2 "[ . 1+ . -2]"
1 36 ILE 0.941 0.440 12 0 "[ . 1 . 2]"
1 37 GLY 0.341 0.341 17 0 "[ . 1 . 2]"
1 38 SER 0.230 0.097 17 0 "[ . 1 . 2]"
1 39 GLN 0.593 0.347 1 0 "[ . 1 . 2]"
1 40 CYS 3.542 0.763 15 3 "[ . -* 1 + 2]"
1 41 GLY 0.190 0.073 3 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.056 0.032 2 0 "[ . 1 . 2]"
1 44 VAL 0.130 0.088 14 0 "[ . 1 . 2]"
1 45 LYS 0.625 0.127 1 0 "[ . 1 . 2]"
1 46 CYS 0.546 0.127 1 0 "[ . 1 . 2]"
1 47 CYS 1.421 0.410 14 0 "[ . 1 . 2]"
1 48 LYS 1.424 0.151 16 0 "[ . 1 . 2]"
1 49 ASP 3.372 0.634 16 1 "[ . 1 .+ 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.115 0.067 6 0 "[ . 1 . 2]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 2.125 0.383 8 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.538 0.538 8 1 "[ . + 1 . 2]"
1 56 ASN 0.640 0.364 16 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.210 0.062 4 0 "[ . 1 . 2]"
1 59 LEU 0.657 0.538 8 1 "[ . + 1 . 2]"
1 60 ILE 0.088 0.060 19 0 "[ . 1 . 2]"
1 61 ILE 0.160 0.088 14 0 "[ . 1 . 2]"
1 62 ASN 4.943 0.706 1 3 "[+ - 1 .* 2]"
1 63 ALA 0.295 0.119 3 0 "[ . 1 . 2]"
1 64 ALA 2.782 0.657 16 1 "[ . 1 .+ 2]"
1 65 ASN 3.672 0.706 1 2 "[+ - 1 . 2]"
1 66 CYS 3.295 0.410 14 0 "[ . 1 . 2]"
1 67 VAL 0.441 0.127 1 0 "[ . 1 . 2]"
1 68 ALA 0.529 0.127 1 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 SER HA 1 2 ALA H 3.100 . 4.800 2.991 2.148 3.574 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER HB2 1 2 ALA H 6.000 . 6.000 2.587 1.476 3.868 . 0 0 "[ . 1 . 2]" 1
3 1 1 SER HB3 1 2 ALA H 2.400 . 3.600 3.276 2.356 4.196 0.596 6 1 "[ .+ 1 . 2]" 1
4 1 2 ALA H 1 3 THR H 4.800 . 6.000 4.310 3.924 4.562 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 3 THR H 2.300 . 3.500 2.239 2.113 2.698 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 41 GLY H 5.100 . 6.000 4.198 2.669 5.264 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 41 GLY HA2 6.000 . 6.000 2.337 1.664 3.490 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR H 1 4 THR H 4.400 . 6.000 3.942 2.208 4.576 . 0 0 "[ . 1 . 2]" 1
9 1 3 THR H 1 39 GLN HB2 6.000 . 6.000 5.271 4.815 5.818 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR H 1 40 CYS H 3.200 . 5.000 3.832 3.331 4.685 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR H 1 40 CYS HA 6.000 . 6.000 5.114 4.411 6.015 0.015 5 0 "[ . 1 . 2]" 1
12 1 3 THR H 1 40 CYS HB2 4.000 . 6.000 4.329 3.220 6.034 0.034 3 0 "[ . 1 . 2]" 1
13 1 3 THR H 1 40 CYS HB3 5.600 . 6.000 4.355 3.137 6.017 0.017 3 0 "[ . 1 . 2]" 1
14 1 3 THR HA 1 4 THR H 2.300 . 3.500 2.486 2.115 3.529 0.029 16 0 "[ . 1 . 2]" 1
15 1 3 THR HA 1 40 CYS H 4.800 . 6.000 5.199 4.742 6.035 0.035 2 0 "[ . 1 . 2]" 1
16 1 3 THR HB 1 4 THR H 2.300 . 3.500 3.449 2.827 3.659 0.159 1 0 "[ . 1 . 2]" 1
17 1 3 THR HB 1 40 CYS H 3.800 . 6.000 4.279 3.643 5.291 . 0 0 "[ . 1 . 2]" 1
18 1 3 THR HB 1 40 CYS HB2 3.300 . 5.200 4.062 2.797 5.464 0.264 3 0 "[ . 1 . 2]" 1
19 1 3 THR HB 1 40 CYS HB3 4.800 . 6.000 4.556 2.951 6.019 0.019 16 0 "[ . 1 . 2]" 1
20 1 4 THR H 1 4 THR HB 3.100 . 4.800 3.135 2.673 3.819 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR HA 1 5 ILE H 2.400 . 3.600 2.216 2.141 2.487 . 0 0 "[ . 1 . 2]" 1
22 1 4 THR HA 1 5 ILE HA 6.000 . 6.000 3.728 3.654 3.812 . 0 0 "[ . 1 . 2]" 1
23 1 4 THR HA 1 5 ILE HG12 4.600 . 6.000 4.748 3.620 5.495 . 0 0 "[ . 1 . 2]" 1
24 1 4 THR HA 1 39 GLN H 4.700 . 6.000 4.522 3.739 5.293 . 0 0 "[ . 1 . 2]" 1
25 1 4 THR HA 1 39 GLN HA 3.100 . 4.800 2.289 1.579 2.948 . 0 0 "[ . 1 . 2]" 1
26 1 4 THR HA 1 39 GLN HE21 6.000 . 6.000 4.628 2.922 6.347 0.347 1 0 "[ . 1 . 2]" 1
27 1 4 THR HA 1 39 GLN HG2 3.700 . 5.900 4.328 2.581 6.026 0.126 17 0 "[ . 1 . 2]" 1
28 1 4 THR HA 1 39 GLN HG3 4.700 . 6.000 3.864 2.060 6.005 0.005 15 0 "[ . 1 . 2]" 1
29 1 4 THR HA 1 40 CYS H 3.200 . 4.900 3.170 1.432 4.400 0.068 17 0 "[ . 1 . 2]" 1
30 1 4 THR HB 1 5 ILE H 6.000 . 6.000 4.053 3.174 4.417 . 0 0 "[ . 1 . 2]" 1
31 1 4 THR HB 1 36 ILE HA 5.400 . 6.000 5.103 4.628 5.800 . 0 0 "[ . 1 . 2]" 1
32 1 5 ILE H 1 5 ILE HA 3.000 . 4.600 2.908 2.837 2.946 . 0 0 "[ . 1 . 2]" 1
33 1 5 ILE H 1 5 ILE HB 2.900 . 4.500 3.588 3.003 3.808 . 0 0 "[ . 1 . 2]" 1
34 1 5 ILE H 1 5 ILE HG12 3.700 . 5.900 3.071 2.196 4.540 . 0 0 "[ . 1 . 2]" 1
35 1 5 ILE H 1 5 ILE HG13 2.900 . 4.500 3.142 1.478 4.424 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE H 1 6 GLY H 5.400 . 6.000 4.505 4.050 4.616 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE H 1 37 GLY HA2 5.400 . 6.000 4.190 3.652 4.483 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE H 1 38 SER H 4.800 . 6.000 3.737 3.182 4.792 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE H 1 39 GLN HA 3.600 . 5.700 3.430 1.587 4.242 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE HA 1 6 GLY H 2.200 . 3.300 2.251 2.139 2.417 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE HA 1 37 GLY H 4.300 . 6.000 4.979 4.712 5.552 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE HA 1 40 CYS H 5.000 . 6.000 4.403 3.818 5.266 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE HB 1 6 GLY H 3.800 . 6.000 3.045 2.373 4.401 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE HB 1 9 THR H 5.300 . 6.000 4.566 3.416 6.060 0.060 11 0 "[ . 1 . 2]" 1
45 1 5 ILE HB 1 37 GLY H 6.000 . 6.000 5.281 4.242 5.782 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE HB 1 38 SER H 3.600 . 5.700 5.363 4.774 5.797 0.097 17 0 "[ . 1 . 2]" 1
47 1 5 ILE HG12 1 6 GLY H 6.000 . 6.000 4.789 3.992 5.809 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE HG13 1 6 GLY H 5.400 . 6.000 3.570 2.352 5.008 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE HG13 1 9 THR H 5.600 . 6.000 5.574 3.824 6.526 0.526 19 1 "[ . 1 . +2]" 1
50 1 5 ILE HG13 1 35 VAL H 5.300 . 6.000 5.091 4.026 6.801 0.801 11 2 "[ . 1+ . -2]" 1
51 1 5 ILE HG13 1 40 CYS H 5.400 . 6.000 5.743 3.685 6.763 0.763 15 3 "[ . -* 1 + 2]" 1
52 1 6 GLY H 1 6 GLY HA2 2.500 . 3.800 2.925 2.870 2.952 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLY H 1 7 PRO HD2 4.500 . 6.000 4.275 3.452 5.257 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLY H 1 9 THR H 3.600 . 5.700 4.427 3.075 5.247 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLY HA2 1 7 PRO HD2 3.200 . 5.000 3.685 3.190 4.263 . 0 0 "[ . 1 . 2]" 1
56 1 6 GLY HA2 1 7 PRO HD3 6.000 . 6.000 2.815 2.016 3.320 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLY HA2 1 36 ILE HA 3.700 . 5.900 3.282 1.864 4.099 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLY HA2 1 36 ILE HB 4.100 . 6.000 4.326 3.640 4.974 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLY HA2 1 37 GLY H 4.200 . 6.000 2.894 1.912 4.388 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLY HA3 1 7 PRO HD2 2.500 . 3.800 2.462 2.141 3.066 . 0 0 "[ . 1 . 2]" 1
61 1 6 GLY HA3 1 7 PRO HD3 3.300 . 5.200 2.321 1.720 2.934 . 0 0 "[ . 1 . 2]" 1
62 1 6 GLY HA3 1 37 GLY H 6.000 . 6.000 4.491 3.461 6.341 0.341 17 0 "[ . 1 . 2]" 1
63 1 7 PRO HA 1 8 ASN H 3.300 . 5.100 3.016 2.416 3.509 . 0 0 "[ . 1 . 2]" 1
64 1 7 PRO HA 1 9 THR H 4.500 . 6.000 5.048 3.903 6.056 0.056 10 0 "[ . 1 . 2]" 1
65 1 7 PRO HB2 1 7 PRO HD3 3.100 . 4.800 3.974 3.946 4.024 . 0 0 "[ . 1 . 2]" 1
66 1 7 PRO HB2 1 8 ASN H 3.700 . 5.900 3.904 2.858 4.309 . 0 0 "[ . 1 . 2]" 1
67 1 7 PRO HB3 1 7 PRO HD2 3.700 . 5.900 3.886 3.871 3.909 . 0 0 "[ . 1 . 2]" 1
68 1 7 PRO HB3 1 7 PRO HD3 4.000 . 6.000 3.506 3.039 4.022 . 0 0 "[ . 1 . 2]" 1
69 1 7 PRO HB3 1 8 ASN H 5.100 . 6.000 4.429 4.062 4.628 . 0 0 "[ . 1 . 2]" 1
70 1 7 PRO HD2 1 8 ASN H 3.900 . 6.000 3.310 1.985 4.663 . 0 0 "[ . 1 . 2]" 1
71 1 7 PRO HD3 1 7 PRO QG 2.400 . 3.600 2.199 2.185 2.217 . 0 0 "[ . 1 . 2]" 1
72 1 7 PRO HD3 1 8 ASN H 3.600 . 5.700 4.249 3.470 5.125 . 0 0 "[ . 1 . 2]" 1
73 1 7 PRO HD3 1 37 GLY H 5.400 . 6.000 4.290 3.785 4.900 . 0 0 "[ . 1 . 2]" 1
74 1 7 PRO QG 1 8 ASN H 6.000 . 6.000 3.883 2.421 4.945 . 0 0 "[ . 1 . 2]" 1
75 1 8 ASN H 1 8 ASN HB3 3.500 . 5.500 3.329 2.946 3.956 . 0 0 "[ . 1 . 2]" 1
76 1 8 ASN H 1 9 THR H 2.800 . 4.300 3.067 1.557 4.072 . 0 0 "[ . 1 . 2]" 1
77 1 8 ASN H 1 9 THR H 2.400 . 3.600 2.371 1.543 3.089 . 0 0 "[ . 1 . 2]" 1
78 1 8 ASN H 1 9 THR HB 6.000 . 6.000 5.666 4.208 6.119 0.119 4 0 "[ . 1 . 2]" 1
79 1 8 ASN HA 1 8 ASN HB2 2.800 . 4.300 2.544 2.240 2.747 . 0 0 "[ . 1 . 2]" 1
80 1 8 ASN HA 1 8 ASN HB3 2.600 . 4.000 2.909 2.336 3.029 . 0 0 "[ . 1 . 2]" 1
81 1 8 ASN HA 1 9 THR H 3.000 . 4.600 2.481 2.089 3.386 . 0 0 "[ . 1 . 2]" 1
82 1 8 ASN HB2 1 9 THR H 5.400 . 6.000 4.490 4.074 4.682 . 0 0 "[ . 1 . 2]" 1
83 1 8 ASN HB3 1 9 THR H 4.500 . 6.000 4.312 3.761 4.661 . 0 0 "[ . 1 . 2]" 1
84 1 9 THR H 1 9 THR HA 3.000 . 4.600 2.891 2.865 2.946 . 0 0 "[ . 1 . 2]" 1
85 1 9 THR H 1 9 THR HB 2.400 . 3.600 2.942 2.627 3.354 . 0 0 "[ . 1 . 2]" 1
86 1 9 THR H 1 10 CYS H 2.800 . 4.300 2.573 2.205 3.375 . 0 0 "[ . 1 . 2]" 1
87 1 9 THR HA 1 9 THR HB 2.300 . 3.500 2.947 2.772 3.020 . 0 0 "[ . 1 . 2]" 1
88 1 9 THR HA 1 10 CYS H 6.000 . 6.000 3.336 2.534 3.569 . 0 0 "[ . 1 . 2]" 1
89 1 9 THR HB 1 10 CYS H 6.000 . 6.000 3.195 1.695 4.389 . 0 0 "[ . 1 . 2]" 1
90 1 9 THR HB 1 17 PRO HB2 5.300 . 6.000 4.037 3.173 5.248 . 0 0 "[ . 1 . 2]" 1
91 1 9 THR HB 1 17 PRO QG 6.000 . 6.000 3.914 2.461 5.220 . 0 0 "[ . 1 . 2]" 1
92 1 10 CYS H 1 10 CYS HB2 3.400 . 5.300 2.638 2.269 3.372 . 0 0 "[ . 1 . 2]" 1
93 1 10 CYS H 1 10 CYS HB3 3.700 . 5.900 3.525 2.883 3.812 . 0 0 "[ . 1 . 2]" 1
94 1 10 CYS H 1 17 PRO HA 6.000 . 6.000 5.002 3.560 6.003 0.003 2 0 "[ . 1 . 2]" 1
95 1 10 CYS H 1 17 PRO HD3 4.200 . 6.000 4.095 2.304 5.273 . 0 0 "[ . 1 . 2]" 1
96 1 10 CYS HA 1 10 CYS HB2 3.000 . 4.600 2.914 2.506 3.026 . 0 0 "[ . 1 . 2]" 1
97 1 10 CYS HA 1 10 CYS HB3 2.600 . 3.900 2.683 2.421 3.027 . 0 0 "[ . 1 . 2]" 1
98 1 10 CYS HA 1 11 SER H 2.600 . 3.900 2.480 2.127 3.496 . 0 0 "[ . 1 . 2]" 1
99 1 10 CYS HA 1 12 ILE H 4.300 . 6.000 4.129 3.525 5.183 . 0 0 "[ . 1 . 2]" 1
100 1 10 CYS HA 1 46 CYS HB2 3.800 . 6.000 4.688 4.137 5.233 . 0 0 "[ . 1 . 2]" 1
101 1 10 CYS HB2 1 11 SER H 6.000 . 6.000 4.277 2.386 4.667 . 0 0 "[ . 1 . 2]" 1
102 1 10 CYS HB2 1 12 ILE H 4.900 . 6.000 4.394 3.853 5.471 . 0 0 "[ . 1 . 2]" 1
103 1 10 CYS HB2 1 16 LYS HA 3.900 . 6.000 4.243 2.964 5.961 . 0 0 "[ . 1 . 2]" 1
104 1 10 CYS HB2 1 17 PRO HD3 3.600 . 5.700 3.565 2.637 5.680 . 0 0 "[ . 1 . 2]" 1
105 1 10 CYS HB3 1 11 SER H 3.600 . 5.700 3.865 1.700 4.449 . 0 0 "[ . 1 . 2]" 1
106 1 10 CYS HB3 1 12 ILE H 3.700 . 5.900 3.903 2.871 5.499 . 0 0 "[ . 1 . 2]" 1
107 1 10 CYS HB3 1 16 LYS HA 4.800 . 6.000 4.455 3.341 5.966 . 0 0 "[ . 1 . 2]" 1
108 1 10 CYS HB3 1 17 PRO HA 6.000 . 6.000 4.243 2.325 5.461 . 0 0 "[ . 1 . 2]" 1
109 1 10 CYS HB3 1 17 PRO HD3 4.400 . 6.000 4.292 2.281 5.354 . 0 0 "[ . 1 . 2]" 1
110 1 10 CYS HB3 1 46 CYS HA 4.300 . 6.000 3.956 2.551 5.137 . 0 0 "[ . 1 . 2]" 1
111 1 11 SER H 1 11 SER HB3 3.500 . 5.500 3.607 3.243 3.939 . 0 0 "[ . 1 . 2]" 1
112 1 11 SER H 1 12 ILE H 3.100 . 4.800 3.246 2.024 3.994 . 0 0 "[ . 1 . 2]" 1
113 1 11 SER H 1 17 PRO HD3 5.400 . 6.000 5.122 3.640 6.217 0.217 19 0 "[ . 1 . 2]" 1
114 1 11 SER HA 1 11 SER HB2 2.800 . 4.300 2.923 2.719 3.027 . 0 0 "[ . 1 . 2]" 1
115 1 11 SER HA 1 12 ILE H 3.000 . 4.600 2.640 2.167 3.555 . 0 0 "[ . 1 . 2]" 1
116 1 11 SER HB2 1 12 ILE H 4.700 . 6.000 4.194 2.481 4.453 . 0 0 "[ . 1 . 2]" 1
117 1 11 SER HB3 1 12 ILE H 4.400 . 6.000 4.448 3.859 4.667 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE H 1 12 ILE HA 2.900 . 4.400 2.884 2.275 2.952 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE H 1 12 ILE HB 2.700 . 4.100 2.797 2.447 3.664 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE H 1 12 ILE HG12 3.600 . 5.700 3.502 2.050 4.474 . 0 0 "[ . 1 . 2]" 1
121 1 12 ILE H 1 12 ILE HG13 2.900 . 4.500 2.761 1.964 3.795 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE H 1 13 ASP H 3.100 . 4.800 3.039 1.956 4.358 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE H 1 15 TYR H 4.800 . 6.000 4.376 3.302 5.115 . 0 0 "[ . 1 . 2]" 1
124 1 12 ILE H 1 15 TYR HB2 4.500 . 6.000 3.793 2.484 4.515 . 0 0 "[ . 1 . 2]" 1
125 1 12 ILE H 1 15 TYR HB3 4.900 . 6.000 5.160 3.371 6.074 0.074 13 0 "[ . 1 . 2]" 1
126 1 12 ILE HA 1 12 ILE HB 2.300 . 3.500 3.013 2.950 3.034 . 0 0 "[ . 1 . 2]" 1
127 1 12 ILE HA 1 12 ILE HG13 3.400 . 5.400 3.060 2.299 3.978 . 0 0 "[ . 1 . 2]" 1
128 1 12 ILE HA 1 13 ASP H 2.400 . 3.600 3.153 2.161 3.561 . 0 0 "[ . 1 . 2]" 1
129 1 12 ILE HA 1 13 ASP QB 4.600 . 6.000 4.330 3.798 4.959 . 0 0 "[ . 1 . 2]" 1
130 1 12 ILE HB 1 13 ASP H 3.800 . 6.000 2.673 1.462 4.447 0.038 4 0 "[ . 1 . 2]" 1
131 1 12 ILE HB 1 15 TYR H 3.900 . 6.000 4.102 2.761 4.806 . 0 0 "[ . 1 . 2]" 1
132 1 12 ILE HB 1 15 TYR HA 3.700 . 5.900 5.627 4.951 5.970 0.070 6 0 "[ . 1 . 2]" 1
133 1 12 ILE HB 1 15 TYR HB2 3.800 . 6.000 2.804 2.039 3.222 . 0 0 "[ . 1 . 2]" 1
134 1 12 ILE HB 1 15 TYR HB3 2.800 . 4.300 3.743 3.075 4.253 . 0 0 "[ . 1 . 2]" 1
135 1 13 ASP H 1 13 ASP QB 3.500 . 5.500 2.784 2.129 3.043 . 0 0 "[ . 1 . 2]" 1
136 1 13 ASP HA 1 13 ASP QB 2.500 . 3.800 2.430 2.218 2.519 . 0 0 "[ . 1 . 2]" 1
137 1 13 ASP HA 1 14 ASP H 2.700 . 4.100 3.269 2.997 3.592 . 0 0 "[ . 1 . 2]" 1
138 1 13 ASP QB 1 14 ASP H 2.700 . 4.100 1.868 1.490 2.521 . 0 0 "[ . 1 . 2]" 1
139 1 13 ASP QB 1 15 TYR H 5.000 . 6.000 3.528 2.546 4.244 . 0 0 "[ . 1 . 2]" 1
140 1 14 ASP H 1 14 ASP HA 2.800 . 4.300 2.908 2.874 2.944 . 0 0 "[ . 1 . 2]" 1
141 1 14 ASP H 1 14 ASP HB2 3.400 . 5.300 2.760 2.157 3.651 . 0 0 "[ . 1 . 2]" 1
142 1 14 ASP H 1 14 ASP HB3 3.700 . 5.900 2.735 2.444 3.124 . 0 0 "[ . 1 . 2]" 1
143 1 14 ASP H 1 15 TYR H 2.500 . 3.800 2.919 1.941 3.827 0.027 5 0 "[ . 1 . 2]" 1
144 1 14 ASP H 1 15 TYR HB2 6.000 . 6.000 4.640 3.896 5.191 . 0 0 "[ . 1 . 2]" 1
145 1 14 ASP HA 1 14 ASP HB2 2.700 . 4.100 2.544 2.273 2.810 . 0 0 "[ . 1 . 2]" 1
146 1 14 ASP HA 1 14 ASP HB3 2.600 . 4.000 2.994 2.692 3.032 . 0 0 "[ . 1 . 2]" 1
147 1 14 ASP HA 1 15 TYR H 3.000 . 4.600 2.777 2.337 3.334 . 0 0 "[ . 1 . 2]" 1
148 1 14 ASP HB2 1 15 TYR H 5.100 . 6.000 4.473 3.662 4.627 . 0 0 "[ . 1 . 2]" 1
149 1 14 ASP HB3 1 15 TYR H 4.700 . 6.000 4.135 3.459 4.450 . 0 0 "[ . 1 . 2]" 1
150 1 15 TYR H 1 15 TYR HA 2.900 . 4.500 2.915 2.869 2.948 . 0 0 "[ . 1 . 2]" 1
151 1 15 TYR H 1 15 TYR HB2 3.000 . 4.700 2.467 2.155 2.715 . 0 0 "[ . 1 . 2]" 1
152 1 15 TYR H 1 15 TYR HB3 2.700 . 4.100 3.616 3.370 3.806 . 0 0 "[ . 1 . 2]" 1
153 1 15 TYR H 1 16 LYS H 6.000 . 6.000 4.346 3.907 4.600 . 0 0 "[ . 1 . 2]" 1
154 1 15 TYR HA 1 15 TYR HB2 2.800 . 4.300 3.005 2.918 3.033 . 0 0 "[ . 1 . 2]" 1
155 1 15 TYR HA 1 15 TYR HB3 2.600 . 4.000 2.561 2.353 2.775 . 0 0 "[ . 1 . 2]" 1
156 1 15 TYR HA 1 16 LYS H 2.400 . 3.600 2.214 2.097 2.484 . 0 0 "[ . 1 . 2]" 1
157 1 15 TYR HA 1 16 LYS HB2 4.800 . 6.000 4.496 4.048 5.299 . 0 0 "[ . 1 . 2]" 1
158 1 15 TYR HA 1 47 CYS H 4.200 . 6.000 4.708 3.654 5.334 . 0 0 "[ . 1 . 2]" 1
159 1 15 TYR HA 1 48 LYS HA 3.700 . 5.900 3.133 2.447 4.193 . 0 0 "[ . 1 . 2]" 1
160 1 15 TYR HA 1 48 LYS HB3 3.500 . 5.500 4.096 3.645 4.476 . 0 0 "[ . 1 . 2]" 1
161 1 15 TYR HB2 1 16 LYS H 3.700 . 5.900 4.206 3.569 4.605 . 0 0 "[ . 1 . 2]" 1
162 1 15 TYR HB2 1 47 CYS H 4.900 . 6.000 5.526 4.923 6.029 0.029 17 0 "[ . 1 . 2]" 1
163 1 15 TYR HB3 1 16 LYS H 4.100 . 6.000 3.284 2.298 4.063 . 0 0 "[ . 1 . 2]" 1
164 1 15 TYR HB3 1 17 PRO HD2 3.600 . 5.700 3.822 2.015 6.063 0.363 4 0 "[ . 1 . 2]" 1
165 1 15 TYR HB3 1 46 CYS HA 4.800 . 6.000 3.620 3.153 4.217 . 0 0 "[ . 1 . 2]" 1
166 1 15 TYR HB3 1 46 CYS HB2 3.300 . 5.200 3.649 2.178 5.063 . 0 0 "[ . 1 . 2]" 1
167 1 15 TYR HB3 1 46 CYS HB3 3.800 . 6.000 2.465 1.471 3.416 0.029 15 0 "[ . 1 . 2]" 1
168 1 15 TYR HB3 1 47 CYS H 4.400 . 6.000 3.893 3.352 4.458 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS H 1 16 LYS HA 2.400 . 3.600 2.913 2.833 2.950 . 0 0 "[ . 1 . 2]" 1
170 1 16 LYS H 1 16 LYS HB2 2.900 . 4.400 2.482 2.065 3.239 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS H 1 16 LYS QG 3.300 . 5.100 2.984 1.490 3.888 0.010 15 0 "[ . 1 . 2]" 1
172 1 16 LYS H 1 17 PRO HA 4.500 . 6.000 5.364 4.949 5.652 . 0 0 "[ . 1 . 2]" 1
173 1 16 LYS H 1 17 PRO HD3 6.000 . 6.000 4.759 4.542 5.158 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS H 1 46 CYS HA 3.800 . 6.000 4.413 3.866 5.065 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS H 1 47 CYS H 2.700 . 4.100 3.618 3.164 4.100 0.000 19 0 "[ . 1 . 2]" 1
176 1 16 LYS H 1 47 CYS HA 4.400 . 6.000 4.898 4.404 5.427 . 0 0 "[ . 1 . 2]" 1
177 1 16 LYS HA 1 16 LYS HB2 3.000 . 4.600 2.988 2.880 3.029 . 0 0 "[ . 1 . 2]" 1
178 1 16 LYS HA 1 16 LYS HB3 2.400 . 3.600 2.535 2.238 2.771 . 0 0 "[ . 1 . 2]" 1
179 1 16 LYS HA 1 17 PRO HD2 2.500 . 3.800 2.779 2.249 3.150 . 0 0 "[ . 1 . 2]" 1
180 1 16 LYS HA 1 17 PRO HD3 2.400 . 3.600 2.036 1.741 2.574 . 0 0 "[ . 1 . 2]" 1
181 1 16 LYS HA 1 47 CYS H 4.200 . 6.000 5.251 4.597 6.021 0.021 17 0 "[ . 1 . 2]" 1
182 1 16 LYS HB2 1 16 LYS QG 2.400 . 3.600 2.372 2.131 2.525 . 0 0 "[ . 1 . 2]" 1
183 1 16 LYS HB2 1 46 CYS HB2 3.000 . 4.600 3.280 2.748 3.722 . 0 0 "[ . 1 . 2]" 1
184 1 16 LYS HB2 1 47 CYS H 4.200 . 6.000 4.440 3.999 4.957 . 0 0 "[ . 1 . 2]" 1
185 1 16 LYS HB2 1 17 PRO HD2 6.000 . 6.000 3.935 3.096 4.595 . 0 0 "[ . 1 . 2]" 1
186 1 16 LYS HB2 1 17 PRO HD3 6.000 . 6.000 4.397 3.567 4.923 . 0 0 "[ . 1 . 2]" 1
187 1 16 LYS HB3 1 17 PRO HD2 2.700 . 4.100 2.579 1.621 3.066 . 0 0 "[ . 1 . 2]" 1
188 1 16 LYS HB3 1 17 PRO HD3 2.900 . 4.500 3.336 2.690 4.045 . 0 0 "[ . 1 . 2]" 1
189 1 16 LYS HB3 1 47 CYS H 5.500 . 6.000 5.379 4.649 6.310 0.310 11 0 "[ . 1 . 2]" 1
190 1 16 LYS QG 1 17 PRO HD2 6.000 . 6.000 3.609 2.380 4.804 . 0 0 "[ . 1 . 2]" 1
191 1 16 LYS QG 1 17 PRO HD3 6.000 . 6.000 3.760 2.810 4.517 . 0 0 "[ . 1 . 2]" 1
192 1 16 LYS QG 1 47 CYS H 5.100 . 6.000 5.060 3.991 5.546 . 0 0 "[ . 1 . 2]" 1
193 1 17 PRO HA 1 17 PRO HD2 4.400 . 6.000 3.991 3.889 4.098 . 0 0 "[ . 1 . 2]" 1
194 1 17 PRO HA 1 17 PRO HD3 4.300 . 6.000 3.849 3.694 3.957 . 0 0 "[ . 1 . 2]" 1
195 1 17 PRO HA 1 18 TYR H 2.100 . 3.200 2.174 2.131 2.302 . 0 0 "[ . 1 . 2]" 1
196 1 17 PRO HA 1 18 TYR HB2 4.900 . 6.000 4.452 4.167 4.640 . 0 0 "[ . 1 . 2]" 1
197 1 17 PRO HA 1 18 TYR HB3 4.600 . 6.000 4.966 4.420 5.477 . 0 0 "[ . 1 . 2]" 1
198 1 17 PRO HA 1 19 CYS H 4.100 . 6.000 4.457 4.101 5.107 . 0 0 "[ . 1 . 2]" 1
199 1 17 PRO HA 1 34 GLY H 5.300 . 6.000 5.269 4.877 5.659 . 0 0 "[ . 1 . 2]" 1
200 1 17 PRO HA 1 46 CYS HA 3.300 . 5.200 3.022 2.483 4.484 . 0 0 "[ . 1 . 2]" 1
201 1 17 PRO HA 1 47 CYS H 3.400 . 5.400 4.226 3.720 5.237 . 0 0 "[ . 1 . 2]" 1
202 1 17 PRO HB2 1 18 TYR H 3.600 . 5.700 3.907 3.452 4.244 . 0 0 "[ . 1 . 2]" 1
203 1 17 PRO HB2 1 34 GLY H 3.700 . 5.900 4.082 3.367 4.787 . 0 0 "[ . 1 . 2]" 1
204 1 17 PRO HB2 1 34 GLY HA2 3.300 . 5.200 4.879 4.477 5.225 0.025 12 0 "[ . 1 . 2]" 1
205 1 17 PRO HB3 1 17 PRO QG 2.300 . 3.500 2.205 2.168 2.245 . 0 0 "[ . 1 . 2]" 1
206 1 17 PRO HB3 1 18 TYR H 4.100 . 6.000 4.124 3.658 4.370 . 0 0 "[ . 1 . 2]" 1
207 1 17 PRO HD2 1 17 PRO QG 2.500 . 3.800 2.208 2.173 2.250 . 0 0 "[ . 1 . 2]" 1
208 1 17 PRO QG 1 18 TYR H 6.000 . 6.000 4.831 4.597 4.986 . 0 0 "[ . 1 . 2]" 1
209 1 17 PRO QG 1 34 GLY H 5.500 . 6.000 4.098 2.718 5.237 . 0 0 "[ . 1 . 2]" 1
210 1 17 PRO QG 1 34 GLY H 6.000 . 6.000 4.313 2.724 5.501 . 0 0 "[ . 1 . 2]" 1
211 1 17 PRO QG 1 34 GLY HA2 6.000 . 6.000 5.280 3.921 6.037 0.037 11 0 "[ . 1 . 2]" 1
212 1 17 PRO HG2 1 18 TYR HB3 3.300 . 5.200 3.085 2.314 4.323 . 0 0 "[ . 1 . 2]" 1
213 1 18 TYR H 1 18 TYR HA 2.900 . 4.500 2.937 2.887 2.949 . 0 0 "[ . 1 . 2]" 1
214 1 18 TYR H 1 18 TYR HB2 2.700 . 4.100 2.448 2.197 2.655 . 0 0 "[ . 1 . 2]" 1
215 1 18 TYR H 1 18 TYR HB3 3.500 . 5.500 3.638 3.491 3.778 . 0 0 "[ . 1 . 2]" 1
216 1 18 TYR H 1 19 CYS H 3.000 . 4.600 4.378 4.131 4.547 . 0 0 "[ . 1 . 2]" 1
217 1 18 TYR H 1 19 CYS H 2.900 . 4.500 3.148 2.792 3.575 . 0 0 "[ . 1 . 2]" 1
218 1 18 TYR H 1 33 VAL HA 5.400 . 6.000 5.549 4.971 6.028 0.028 5 0 "[ . 1 . 2]" 1
219 1 18 TYR H 1 34 GLY H 4.800 . 6.000 4.751 4.452 5.234 . 0 0 "[ . 1 . 2]" 1
220 1 18 TYR H 1 45 LYS H 6.000 . 6.000 3.234 2.830 3.815 . 0 0 "[ . 1 . 2]" 1
221 1 18 TYR H 1 45 LYS HA 5.400 . 6.000 4.826 4.550 5.620 . 0 0 "[ . 1 . 2]" 1
222 1 18 TYR H 1 45 LYS QB 4.300 . 6.000 4.096 3.449 4.955 . 0 0 "[ . 1 . 2]" 1
223 1 18 TYR H 1 46 CYS HA 3.300 . 5.200 3.328 3.025 4.001 . 0 0 "[ . 1 . 2]" 1
224 1 18 TYR HA 1 18 TYR HB2 2.700 . 4.100 3.006 2.959 3.027 . 0 0 "[ . 1 . 2]" 1
225 1 18 TYR HA 1 18 TYR HB3 2.500 . 3.800 2.584 2.497 2.719 . 0 0 "[ . 1 . 2]" 1
226 1 18 TYR HA 1 19 CYS H 2.500 . 3.800 2.199 2.122 2.513 . 0 0 "[ . 1 . 2]" 1
227 1 18 TYR HA 1 20 CYS H 3.600 . 5.700 3.231 2.558 4.042 . 0 0 "[ . 1 . 2]" 1
228 1 18 TYR HA 1 33 VAL HA 3.000 . 4.600 2.904 2.214 3.328 . 0 0 "[ . 1 . 2]" 1
229 1 18 TYR HA 1 34 GLY H 2.400 . 3.600 2.562 1.991 3.280 . 0 0 "[ . 1 . 2]" 1
230 1 18 TYR HB2 1 19 CYS H 3.300 . 5.200 4.211 3.605 4.583 . 0 0 "[ . 1 . 2]" 1
231 1 18 TYR HB2 1 19 CYS HA 4.600 . 6.000 4.367 3.767 4.920 . 0 0 "[ . 1 . 2]" 1
232 1 18 TYR HB2 1 61 ILE HB 6.000 . 6.000 3.310 2.216 3.953 . 0 0 "[ . 1 . 2]" 1
233 1 18 TYR HB2 1 33 VAL HA 5.400 . 6.000 5.259 4.831 5.714 . 0 0 "[ . 1 . 2]" 1
234 1 18 TYR HB2 1 46 CYS HA 4.900 . 6.000 4.065 3.456 4.410 . 0 0 "[ . 1 . 2]" 1
235 1 18 TYR HB3 1 19 CYS H 6.000 . 6.000 3.171 2.264 3.819 . 0 0 "[ . 1 . 2]" 1
236 1 18 TYR HB3 1 33 VAL HA 6.000 . 6.000 4.413 3.991 4.985 . 0 0 "[ . 1 . 2]" 1
237 1 18 TYR HB3 1 33 VAL HA 3.800 . 6.000 3.898 3.690 4.107 . 0 0 "[ . 1 . 2]" 1
238 1 19 CYS H 1 19 CYS HA 2.700 . 4.100 2.906 2.878 2.939 . 0 0 "[ . 1 . 2]" 1
239 1 19 CYS H 1 19 CYS HB2 2.800 . 4.300 2.510 2.158 3.393 . 0 0 "[ . 1 . 2]" 1
240 1 19 CYS H 1 19 CYS HB3 2.800 . 4.300 3.356 2.507 3.717 . 0 0 "[ . 1 . 2]" 1
241 1 19 CYS H 1 20 CYS H 3.700 . 5.900 4.099 3.791 4.431 . 0 0 "[ . 1 . 2]" 1
242 1 19 CYS H 1 20 CYS H 3.500 . 5.500 3.768 3.574 3.979 . 0 0 "[ . 1 . 2]" 1
243 1 19 CYS H 1 32 VAL H 3.000 . 4.600 3.249 2.753 3.808 . 0 0 "[ . 1 . 2]" 1
244 1 19 CYS H 1 34 GLY H 3.900 . 6.000 3.544 2.875 4.488 . 0 0 "[ . 1 . 2]" 1
245 1 19 CYS HA 1 19 CYS HB2 2.600 . 3.900 2.891 2.454 3.032 . 0 0 "[ . 1 . 2]" 1
246 1 19 CYS HA 1 19 CYS HB3 2.900 . 4.500 2.643 2.252 3.027 . 0 0 "[ . 1 . 2]" 1
247 1 19 CYS HA 1 20 CYS H 2.200 . 3.300 2.221 2.139 2.377 . 0 0 "[ . 1 . 2]" 1
248 1 19 CYS HA 1 20 CYS HA 5.700 . 6.000 4.427 4.384 4.523 . 0 0 "[ . 1 . 2]" 1
249 1 19 CYS HA 1 20 CYS QB 4.700 . 6.000 4.299 4.003 4.821 . 0 0 "[ . 1 . 2]" 1
250 1 19 CYS HA 1 32 VAL H 4.900 . 6.000 4.658 4.360 5.229 . 0 0 "[ . 1 . 2]" 1
251 1 19 CYS HA 1 40 CYS HB3 4.200 . 6.000 4.306 2.545 5.158 . 0 0 "[ . 1 . 2]" 1
252 1 19 CYS HA 1 43 SER H 4.200 . 6.000 5.014 3.838 5.555 . 0 0 "[ . 1 . 2]" 1
253 1 19 CYS HA 1 44 VAL H 5.100 . 6.000 4.540 3.713 5.133 . 0 0 "[ . 1 . 2]" 1
254 1 19 CYS HA 1 44 VAL HA 3.100 . 4.800 2.524 1.683 3.293 . 0 0 "[ . 1 . 2]" 1
255 1 19 CYS HA 1 45 LYS H 6.000 . 6.000 3.486 2.911 4.010 . 0 0 "[ . 1 . 2]" 1
256 1 19 CYS HB2 1 20 CYS H 4.800 . 6.000 4.476 3.714 4.668 . 0 0 "[ . 1 . 2]" 1
257 1 19 CYS HB2 1 40 CYS HA 4.100 . 6.000 4.389 2.914 5.185 . 0 0 "[ . 1 . 2]" 1
258 1 19 CYS HB3 1 20 CYS H 5.000 . 6.000 4.048 3.757 4.470 . 0 0 "[ . 1 . 2]" 1
259 1 19 CYS HB3 1 32 VAL H 3.800 . 6.000 3.971 2.731 5.129 . 0 0 "[ . 1 . 2]" 1
260 1 19 CYS HB3 1 32 VAL HB 4.000 . 6.000 4.202 2.028 6.270 0.270 8 0 "[ . 1 . 2]" 1
261 1 20 CYS H 1 20 CYS QB . . 3.900 2.334 2.127 3.076 . 0 0 "[ . 1 . 2]" 1
262 1 20 CYS H 1 21 GLN H 4.000 . 6.000 4.419 4.300 4.564 . 0 0 "[ . 1 . 2]" 1
263 1 20 CYS H 1 21 GLN HA 5.300 . 6.000 4.634 4.339 5.131 . 0 0 "[ . 1 . 2]" 1
264 1 20 CYS H 1 43 SER H 3.000 . 4.600 4.207 3.551 4.632 0.032 2 0 "[ . 1 . 2]" 1
265 1 20 CYS H 1 43 SER QB 3.500 . 5.500 4.028 3.387 5.202 . 0 0 "[ . 1 . 2]" 1
266 1 20 CYS H 1 44 VAL H 6.000 . 6.000 4.767 3.419 5.610 . 0 0 "[ . 1 . 2]" 1
267 1 20 CYS H 1 44 VAL HA 6.000 . 6.000 3.270 2.562 4.141 . 0 0 "[ . 1 . 2]" 1
268 1 20 CYS H 1 45 LYS H 6.000 . 6.000 3.299 2.607 3.717 . 0 0 "[ . 1 . 2]" 1
269 1 20 CYS H 1 45 LYS QB 5.200 . 6.000 3.967 2.514 5.101 . 0 0 "[ . 1 . 2]" 1
270 1 20 CYS H 1 45 LYS QG 3.300 . 5.100 3.810 2.675 5.167 0.067 14 0 "[ . 1 . 2]" 1
271 1 20 CYS HA 1 21 GLN H 2.200 . 3.300 2.148 2.092 2.485 . 0 0 "[ . 1 . 2]" 1
272 1 20 CYS HA 1 21 GLN QG 4.800 . 6.000 3.740 3.105 5.413 . 0 0 "[ . 1 . 2]" 1
273 1 20 CYS HA 1 30 GLY H 6.000 . 6.000 4.149 3.358 4.789 . 0 0 "[ . 1 . 2]" 1
274 1 20 CYS HA 1 30 GLY H 6.000 . 6.000 4.610 3.556 5.977 . 0 0 "[ . 1 . 2]" 1
275 1 20 CYS QB 1 21 GLN H 2.700 . 4.100 3.324 2.376 3.756 . 0 0 "[ . 1 . 2]" 1
276 1 20 CYS QB 1 29 LEU HB3 3.600 . 4.400 3.630 2.369 4.946 0.546 6 1 "[ .+ 1 . 2]" 1
277 1 20 CYS QB 1 43 SER QB 3.400 . 5.300 3.555 2.779 5.007 . 0 0 "[ . 1 . 2]" 1
278 1 20 CYS QB 1 45 LYS QB 3.900 . 6.000 3.067 1.902 4.758 . 0 0 "[ . 1 . 2]" 1
279 1 20 CYS QB 1 45 LYS QG 3.500 . 4.800 2.751 1.786 4.310 . 0 0 "[ . 1 . 2]" 1
280 1 21 GLN H 1 21 GLN HB2 4.100 . 6.000 2.873 2.089 3.750 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLN H 1 21 GLN HB3 3.800 . 6.000 3.490 2.118 3.803 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLN H 1 21 GLN QG 3.200 . 5.000 2.197 1.554 3.687 . 0 0 "[ . 1 . 2]" 1
283 1 21 GLN H 1 22 SER H 4.300 . 6.000 4.378 3.893 4.606 . 0 0 "[ . 1 . 2]" 1
284 1 21 GLN H 1 22 SER HA 6.000 . 6.000 5.084 4.742 5.403 . 0 0 "[ . 1 . 2]" 1
285 1 21 GLN H 1 29 LEU HB3 6.000 . 6.000 5.070 3.741 6.027 0.027 6 0 "[ . 1 . 2]" 1
286 1 21 GLN H 1 30 GLY H 4.100 . 6.000 3.736 2.934 4.899 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLN H 1 30 GLY HA3 6.000 . 6.000 3.905 3.238 5.292 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLN H 1 60 ILE H 5.700 . 6.000 4.380 3.072 6.060 0.060 19 0 "[ . 1 . 2]" 1
289 1 21 GLN HA 1 21 GLN HB3 2.800 . 4.200 2.416 2.246 2.961 . 0 0 "[ . 1 . 2]" 1
290 1 21 GLN HA 1 21 GLN QG 3.500 . 5.500 2.913 2.164 3.392 . 0 0 "[ . 1 . 2]" 1
291 1 21 GLN HA 1 22 SER H 2.500 . 3.800 2.243 2.116 2.947 . 0 0 "[ . 1 . 2]" 1
292 1 21 GLN HA 1 22 SER QB 6.000 . 6.000 4.706 4.391 4.797 . 0 0 "[ . 1 . 2]" 1
293 1 21 GLN HB2 1 22 SER H 4.000 . 6.000 3.787 1.592 4.509 . 0 0 "[ . 1 . 2]" 1
294 1 21 GLN HB3 1 22 SER H 3.100 . 4.800 3.559 2.667 4.555 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLN HE21 1 21 GLN QG 3.000 . 4.600 2.213 2.087 2.723 . 0 0 "[ . 1 . 2]" 1
296 1 21 GLN QG 1 29 LEU H 5.000 . 6.000 4.697 3.799 5.320 . 0 0 "[ . 1 . 2]" 1
297 1 21 GLN QG 1 22 SER H 3.700 . 5.900 4.361 3.178 4.849 . 0 0 "[ . 1 . 2]" 1
298 1 21 GLN QG 1 30 GLY HA3 3.400 . 5.300 3.694 2.696 5.455 0.155 7 0 "[ . 1 . 2]" 1
299 1 21 GLN QG 1 30 GLY H 3.300 . 5.100 4.554 2.902 5.134 0.034 6 0 "[ . 1 . 2]" 1
300 1 21 GLN HG2 1 22 SER HA 4.600 . 6.000 4.232 3.408 5.414 . 0 0 "[ . 1 . 2]" 1
301 1 21 GLN HG2 1 22 SER QB 4.200 . 6.000 5.068 4.673 5.613 . 0 0 "[ . 1 . 2]" 1
302 1 22 SER H 1 22 SER QB 3.200 . 5.000 2.807 2.434 3.117 . 0 0 "[ . 1 . 2]" 1
303 1 22 SER HA 1 23 MET H 6.000 . 6.000 2.186 2.103 2.328 . 0 0 "[ . 1 . 2]" 1
304 1 22 SER QB 1 23 MET H 6.000 . 6.000 3.480 2.887 3.828 . 0 0 "[ . 1 . 2]" 1
305 1 22 SER QB 1 23 MET HB2 3.400 . 5.400 4.964 4.523 5.329 . 0 0 "[ . 1 . 2]" 1
306 1 22 SER QB 1 29 LEU H 6.000 . 6.000 5.259 4.376 6.538 0.538 8 1 "[ . + 1 . 2]" 1
307 1 23 MET H 1 23 MET HB2 2.600 . 3.900 2.426 2.106 3.602 . 0 0 "[ . 1 . 2]" 1
308 1 23 MET H 1 23 MET QG 3.400 . 5.400 2.861 1.848 3.909 . 0 0 "[ . 1 . 2]" 1
309 1 23 MET HA 1 23 MET QG 2.800 . 4.300 2.512 2.009 3.437 . 0 0 "[ . 1 . 2]" 1
310 1 23 MET HA 1 24 SER H 2.600 . 4.000 2.391 2.102 3.550 . 0 0 "[ . 1 . 2]" 1
311 1 23 MET HB2 1 24 SER H 4.400 . 6.000 3.922 2.178 4.614 . 0 0 "[ . 1 . 2]" 1
312 1 23 MET HB2 1 26 SER H 4.000 . 6.000 4.306 2.875 6.068 0.068 8 0 "[ . 1 . 2]" 1
313 1 23 MET HB2 1 28 SER H 6.000 . 6.000 4.079 2.247 6.280 0.280 12 0 "[ . 1 . 2]" 1
314 1 23 MET HB3 1 24 SER H 3.800 . 6.000 3.294 1.560 4.411 . 0 0 "[ . 1 . 2]" 1
315 1 23 MET HB3 1 26 SER H 5.500 . 6.000 3.890 2.451 6.020 0.020 8 0 "[ . 1 . 2]" 1
316 1 23 MET QG 1 24 SER H 4.900 . 6.000 4.123 2.863 4.758 . 0 0 "[ . 1 . 2]" 1
317 1 24 SER H 1 24 SER HA 2.300 . 3.500 2.805 2.269 2.931 . 0 0 "[ . 1 . 2]" 1
318 1 24 SER H 1 25 GLY H 4.300 . 6.000 3.630 2.263 4.566 . 0 0 "[ . 1 . 2]" 1
319 1 24 SER HA 1 25 GLY H 2.400 . 3.600 2.762 2.113 3.588 . 0 0 "[ . 1 . 2]" 1
320 1 24 SER HA 1 26 SER H 4.500 . 6.000 4.404 3.188 6.057 0.057 10 0 "[ . 1 . 2]" 1
321 1 24 SER QB 1 25 GLY H 3.200 . 4.900 3.099 1.470 3.916 0.030 7 0 "[ . 1 . 2]" 1
322 1 25 GLY H 1 25 GLY HA2 3.000 . 4.600 2.624 2.298 2.959 . 0 0 "[ . 1 . 2]" 1
323 1 25 GLY H 1 25 GLY HA3 2.900 . 4.500 2.735 2.296 2.958 . 0 0 "[ . 1 . 2]" 1
324 1 25 GLY H 1 26 SER H 3.100 . 4.800 2.865 1.892 4.054 . 0 0 "[ . 1 . 2]" 1
325 1 25 GLY HA2 1 26 SER H 3.300 . 5.200 3.301 2.542 3.561 . 0 0 "[ . 1 . 2]" 1
326 1 25 GLY HA3 1 26 SER H 3.200 . 4.900 2.962 2.115 3.553 . 0 0 "[ . 1 . 2]" 1
327 1 26 SER H 1 26 SER HA 3.000 . 4.600 2.900 2.775 2.945 . 0 0 "[ . 1 . 2]" 1
328 1 26 SER H 1 27 ALA H 4.100 . 6.000 3.670 2.029 4.576 . 0 0 "[ . 1 . 2]" 1
329 1 26 SER HA 1 27 ALA H 2.700 . 4.100 2.610 2.133 3.570 . 0 0 "[ . 1 . 2]" 1
330 1 26 SER QB 1 27 ALA H . . 5.900 3.203 2.262 3.918 . 0 0 "[ . 1 . 2]" 1
331 1 27 ALA H 1 28 SER H 3.200 . 5.000 3.174 2.325 4.342 . 0 0 "[ . 1 . 2]" 1
332 1 27 ALA H 1 28 SER H 3.300 . 5.200 2.483 1.974 3.786 . 0 0 "[ . 1 . 2]" 1
333 1 27 ALA HA 1 28 SER H 3.500 . 5.500 2.863 2.410 3.582 . 0 0 "[ . 1 . 2]" 1
334 1 28 SER H 1 28 SER HB2 2.800 . 4.200 3.092 2.763 3.622 . 0 0 "[ . 1 . 2]" 1
335 1 28 SER H 1 28 SER HB3 3.400 . 5.400 3.680 3.237 3.997 . 0 0 "[ . 1 . 2]" 1
336 1 28 SER H 1 29 LEU H 3.400 . 5.400 4.077 2.224 4.568 . 0 0 "[ . 1 . 2]" 1
337 1 28 SER HA 1 29 LEU H 6.000 . 6.000 2.527 2.131 3.571 . 0 0 "[ . 1 . 2]" 1
338 1 28 SER HB2 1 29 LEU H 3.400 . 5.400 3.436 1.725 4.280 . 0 0 "[ . 1 . 2]" 1
339 1 28 SER HB3 1 29 LEU H 3.100 . 4.800 3.319 2.071 4.375 . 0 0 "[ . 1 . 2]" 1
340 1 29 LEU H 1 29 LEU HA 2.600 . 4.000 2.875 2.274 2.945 . 0 0 "[ . 1 . 2]" 1
341 1 29 LEU H 1 29 LEU HB2 3.200 . 4.900 2.743 2.154 3.973 . 0 0 "[ . 1 . 2]" 1
342 1 29 LEU H 1 29 LEU HB3 3.200 . 5.000 3.541 2.781 4.044 . 0 0 "[ . 1 . 2]" 1
343 1 29 LEU H 1 29 LEU HG 3.300 . 5.200 3.374 1.586 4.828 . 0 0 "[ . 1 . 2]" 1
344 1 29 LEU H 1 30 GLY HA2 3.200 . 5.000 3.477 2.601 4.307 . 0 0 "[ . 1 . 2]" 1
345 1 29 LEU HA 1 29 LEU HB3 2.600 . 4.000 2.556 2.219 2.913 . 0 0 "[ . 1 . 2]" 1
346 1 29 LEU HA 1 29 LEU HG 4.200 . 6.000 3.189 2.691 3.685 . 0 0 "[ . 1 . 2]" 1
347 1 29 LEU HA 1 30 GLY H 3.100 . 4.800 2.355 2.131 3.563 . 0 0 "[ . 1 . 2]" 1
348 1 29 LEU HB2 1 30 GLY H 4.100 . 6.000 3.855 2.339 4.634 . 0 0 "[ . 1 . 2]" 1
349 1 29 LEU HB3 1 30 GLY H 3.400 . 5.300 3.424 1.460 4.231 0.040 4 0 "[ . 1 . 2]" 1
350 1 29 LEU HG 1 30 GLY H 4.900 . 6.000 4.789 2.479 5.617 . 0 0 "[ . 1 . 2]" 1
351 1 29 LEU HG 1 63 ALA H 3.500 . 5.500 4.895 2.924 5.565 0.065 2 0 "[ . 1 . 2]" 1
352 1 30 GLY H 1 30 GLY HA2 3.000 . 4.600 2.860 2.405 2.951 . 0 0 "[ . 1 . 2]" 1
353 1 30 GLY H 1 31 CYS H 4.600 . 6.000 4.043 3.189 4.468 . 0 0 "[ . 1 . 2]" 1
354 1 30 GLY HA2 1 31 CYS H 2.700 . 4.100 2.232 2.132 2.428 . 0 0 "[ . 1 . 2]" 1
355 1 30 GLY HA3 1 31 CYS H 2.600 . 4.000 3.394 3.019 3.541 . 0 0 "[ . 1 . 2]" 1
356 1 30 GLY HA3 1 60 ILE HA 4.100 . 6.000 4.177 3.080 5.157 . 0 0 "[ . 1 . 2]" 1
357 1 31 CYS H 1 31 CYS HA 2.800 . 4.300 2.930 2.895 2.948 . 0 0 "[ . 1 . 2]" 1
358 1 31 CYS H 1 31 CYS HB2 2.700 . 4.100 2.567 2.171 3.226 . 0 0 "[ . 1 . 2]" 1
359 1 31 CYS H 1 31 CYS HB3 3.800 . 6.000 3.345 2.752 3.948 . 0 0 "[ . 1 . 2]" 1
360 1 31 CYS H 1 32 VAL H 4.300 . 6.000 4.328 3.916 4.563 . 0 0 "[ . 1 . 2]" 1
361 1 31 CYS H 1 32 VAL HA 3.700 . 5.900 4.999 4.618 5.302 . 0 0 "[ . 1 . 2]" 1
362 1 31 CYS H 1 58 PHE QB 5.100 . 6.000 5.472 4.063 6.032 0.032 10 0 "[ . 1 . 2]" 1
363 1 31 CYS H 1 59 LEU H 6.000 . 6.000 3.829 2.840 5.487 . 0 0 "[ . 1 . 2]" 1
364 1 31 CYS H 1 59 LEU H 3.500 . 5.500 2.991 2.717 3.603 . 0 0 "[ . 1 . 2]" 1
365 1 31 CYS H 1 59 LEU HA 5.100 . 6.000 5.076 4.579 5.932 . 0 0 "[ . 1 . 2]" 1
366 1 31 CYS H 1 59 LEU HB2 6.000 . 6.000 4.453 3.598 5.679 . 0 0 "[ . 1 . 2]" 1
367 1 31 CYS H 1 59 LEU HB3 6.000 . 6.000 4.598 3.851 5.694 . 0 0 "[ . 1 . 2]" 1
368 1 31 CYS H 1 60 ILE HA 3.700 . 5.900 2.923 2.535 3.598 . 0 0 "[ . 1 . 2]" 1
369 1 31 CYS HA 1 31 CYS HB3 2.600 . 3.900 2.698 2.236 3.013 . 0 0 "[ . 1 . 2]" 1
370 1 31 CYS HA 1 32 VAL H 2.400 . 3.600 2.206 2.115 2.537 . 0 0 "[ . 1 . 2]" 1
371 1 31 CYS HA 1 32 VAL HA 5.500 . 6.000 4.000 3.921 4.098 . 0 0 "[ . 1 . 2]" 1
372 1 31 CYS HA 1 59 LEU H 5.100 . 6.000 4.736 4.436 5.306 . 0 0 "[ . 1 . 2]" 1
373 1 31 CYS HB2 1 32 VAL H 4.000 . 6.000 4.192 2.930 4.641 . 0 0 "[ . 1 . 2]" 1
374 1 31 CYS HB2 1 61 ILE H 4.400 . 6.000 3.684 2.471 4.597 . 0 0 "[ . 1 . 2]" 1
375 1 31 CYS HB2 1 61 ILE HG12 4.300 . 6.000 2.390 1.866 3.542 . 0 0 "[ . 1 . 2]" 1
376 1 31 CYS HB3 1 32 VAL H 3.300 . 5.200 3.528 2.277 4.224 . 0 0 "[ . 1 . 2]" 1
377 1 31 CYS HB3 1 33 VAL H 6.000 . 6.000 4.120 3.084 5.234 . 0 0 "[ . 1 . 2]" 1
378 1 31 CYS HB3 1 61 ILE H 4.900 . 6.000 4.750 3.862 5.708 . 0 0 "[ . 1 . 2]" 1
379 1 32 VAL H 1 32 VAL HA 2.900 . 4.400 2.924 2.843 2.950 . 0 0 "[ . 1 . 2]" 1
380 1 32 VAL H 1 32 VAL HB 3.200 . 5.000 3.062 2.638 3.646 . 0 0 "[ . 1 . 2]" 1
381 1 32 VAL H 1 33 VAL HA 5.000 . 6.000 5.146 4.827 5.589 . 0 0 "[ . 1 . 2]" 1
382 1 32 VAL HA 1 32 VAL HB 2.500 . 3.800 2.909 2.282 3.027 . 0 0 "[ . 1 . 2]" 1
383 1 32 VAL HA 1 33 VAL H 2.200 . 3.300 2.272 2.177 2.457 . 0 0 "[ . 1 . 2]" 1
384 1 32 VAL HA 1 33 VAL HA 4.800 . 6.000 4.306 4.218 4.368 . 0 0 "[ . 1 . 2]" 1
385 1 32 VAL HB 1 33 VAL H 3.000 . 4.600 3.486 2.654 4.025 . 0 0 "[ . 1 . 2]" 1
386 1 33 VAL H 1 33 VAL HA 2.800 . 4.300 2.822 2.755 2.874 . 0 0 "[ . 1 . 2]" 1
387 1 33 VAL H 1 33 VAL HB 2.500 . 3.800 2.735 2.442 3.440 . 0 0 "[ . 1 . 2]" 1
388 1 33 VAL H 1 34 GLY H 6.000 . 6.000 4.512 4.391 4.591 . 0 0 "[ . 1 . 2]" 1
389 1 33 VAL HA 1 33 VAL HB 2.700 . 4.100 2.701 2.384 3.026 . 0 0 "[ . 1 . 2]" 1
390 1 33 VAL HA 1 34 GLY H 2.100 . 3.100 2.145 2.119 2.182 . 0 0 "[ . 1 . 2]" 1
391 1 33 VAL HA 1 34 GLY HA2 5.000 . 6.000 4.368 4.318 4.404 . 0 0 "[ . 1 . 2]" 1
392 1 33 VAL HA 1 35 VAL H 6.000 . 6.000 5.481 4.058 6.044 0.044 18 0 "[ . 1 . 2]" 1
393 1 33 VAL HB 1 34 GLY H 4.100 . 6.000 4.112 3.514 4.308 . 0 0 "[ . 1 . 2]" 1
394 1 34 GLY H 1 34 GLY HA2 2.600 . 3.900 2.870 2.771 2.954 . 0 0 "[ . 1 . 2]" 1
395 1 34 GLY H 1 34 GLY HA3 2.500 . 3.800 2.324 2.284 2.498 . 0 0 "[ . 1 . 2]" 1
396 1 34 GLY H 1 35 VAL H 5.000 . 6.000 4.111 2.621 4.570 . 0 0 "[ . 1 . 2]" 1
397 1 34 GLY HA2 1 35 VAL H 2.600 . 4.000 2.365 2.115 3.538 . 0 0 "[ . 1 . 2]" 1
398 1 34 GLY HA2 1 35 VAL HB 5.200 . 6.000 5.318 4.621 5.798 . 0 0 "[ . 1 . 2]" 1
399 1 34 GLY HA3 1 35 VAL H 2.900 . 4.400 3.173 2.461 3.535 . 0 0 "[ . 1 . 2]" 1
400 1 35 VAL H 1 35 VAL HA 2.600 . 4.000 2.813 2.262 2.947 . 0 0 "[ . 1 . 2]" 1
401 1 35 VAL H 1 35 VAL HB 2.600 . 3.900 3.392 2.934 3.799 . 0 0 "[ . 1 . 2]" 1
402 1 35 VAL H 1 36 ILE H 4.400 . 6.000 4.063 2.395 4.592 . 0 0 "[ . 1 . 2]" 1
403 1 35 VAL HA 1 35 VAL HB 3.000 . 4.600 2.833 2.569 3.023 . 0 0 "[ . 1 . 2]" 1
404 1 35 VAL HA 1 36 ILE H 2.300 . 3.500 2.761 2.105 3.471 . 0 0 "[ . 1 . 2]" 1
405 1 35 VAL HA 1 36 ILE HG13 4.700 . 6.000 4.228 3.520 5.434 . 0 0 "[ . 1 . 2]" 1
406 1 35 VAL HB 1 36 ILE H 2.400 . 3.600 2.534 1.328 3.668 0.068 6 0 "[ . 1 . 2]" 1
407 1 35 VAL HB 1 38 SER H 4.300 . 6.000 4.936 3.691 6.003 0.003 20 0 "[ . 1 . 2]" 1
408 1 36 ILE H 1 36 ILE HG12 3.900 . 6.000 3.266 1.914 4.281 . 0 0 "[ . 1 . 2]" 1
409 1 36 ILE H 1 36 ILE HG13 2.700 . 4.100 2.739 1.694 4.540 0.440 12 0 "[ . 1 . 2]" 1
410 1 36 ILE H 1 37 GLY H 4.400 . 6.000 4.251 3.544 4.577 . 0 0 "[ . 1 . 2]" 1
411 1 36 ILE HA 1 36 ILE HG12 3.100 . 4.800 3.133 2.484 4.041 . 0 0 "[ . 1 . 2]" 1
412 1 36 ILE HA 1 36 ILE HG13 3.300 . 5.100 3.090 2.428 3.959 . 0 0 "[ . 1 . 2]" 1
413 1 36 ILE HA 1 37 GLY H 2.200 . 3.300 2.152 2.128 2.258 . 0 0 "[ . 1 . 2]" 1
414 1 36 ILE HA 1 37 GLY HA2 4.400 . 6.000 4.363 4.334 4.399 . 0 0 "[ . 1 . 2]" 1
415 1 36 ILE HA 1 38 SER H 3.500 . 5.500 3.806 3.410 4.367 . 0 0 "[ . 1 . 2]" 1
416 1 36 ILE HB 1 36 ILE HG13 2.800 . 4.300 2.647 2.334 2.911 . 0 0 "[ . 1 . 2]" 1
417 1 36 ILE HB 1 37 GLY H 6.000 . 6.000 4.174 3.144 4.421 . 0 0 "[ . 1 . 2]" 1
418 1 36 ILE HG12 1 37 GLY H 6.000 . 6.000 5.044 4.481 5.526 . 0 0 "[ . 1 . 2]" 1
419 1 36 ILE HG13 1 37 GLY H 5.100 . 6.000 5.006 4.357 5.738 . 0 0 "[ . 1 . 2]" 1
420 1 37 GLY H 1 37 GLY HA2 2.500 . 3.800 2.352 2.296 2.432 . 0 0 "[ . 1 . 2]" 1
421 1 37 GLY H 1 37 GLY HA3 2.800 . 4.300 2.912 2.851 2.952 . 0 0 "[ . 1 . 2]" 1
422 1 37 GLY H 1 38 SER H 2.700 . 4.100 2.389 2.141 2.910 . 0 0 "[ . 1 . 2]" 1
423 1 37 GLY HA2 1 38 SER H 3.200 . 5.000 3.008 2.623 3.506 . 0 0 "[ . 1 . 2]" 1
424 1 37 GLY HA3 1 38 SER H 3.200 . 5.000 3.430 2.916 3.568 . 0 0 "[ . 1 . 2]" 1
425 1 38 SER H 1 38 SER HB2 2.900 . 4.500 2.825 2.289 3.513 . 0 0 "[ . 1 . 2]" 1
426 1 38 SER H 1 39 GLN H 5.600 . 6.000 4.238 2.328 4.599 . 0 0 "[ . 1 . 2]" 1
427 1 38 SER HA 1 38 SER HB2 2.700 . 4.100 2.979 2.650 3.030 . 0 0 "[ . 1 . 2]" 1
428 1 38 SER HA 1 38 SER HB3 3.000 . 4.600 2.374 2.248 2.597 . 0 0 "[ . 1 . 2]" 1
429 1 38 SER HA 1 39 GLN H 2.300 . 3.400 2.341 2.115 3.252 . 0 0 "[ . 1 . 2]" 1
430 1 38 SER HB2 1 39 GLN H 2.900 . 4.500 3.796 2.941 4.512 0.012 2 0 "[ . 1 . 2]" 1
431 1 38 SER HB3 1 39 GLN H 3.100 . 4.800 3.245 2.340 4.494 . 0 0 "[ . 1 . 2]" 1
432 1 39 GLN H 1 39 GLN HB2 3.200 . 5.000 2.516 2.118 3.296 . 0 0 "[ . 1 . 2]" 1
433 1 39 GLN H 1 39 GLN HB3 2.700 . 4.100 3.304 2.541 4.110 0.010 11 0 "[ . 1 . 2]" 1
434 1 39 GLN H 1 39 GLN HG2 4.000 . 6.000 4.104 1.580 5.005 . 0 0 "[ . 1 . 2]" 1
435 1 39 GLN H 1 39 GLN HG3 3.500 . 5.500 3.863 2.307 4.594 . 0 0 "[ . 1 . 2]" 1
436 1 39 GLN H 1 40 CYS H 4.400 . 6.000 4.066 3.420 4.566 . 0 0 "[ . 1 . 2]" 1
437 1 39 GLN HA 1 39 GLN HE21 6.000 . 6.000 4.164 2.824 5.135 . 0 0 "[ . 1 . 2]" 1
438 1 39 GLN HA 1 39 GLN HG2 3.800 . 6.000 3.085 2.115 3.739 . 0 0 "[ . 1 . 2]" 1
439 1 39 GLN HA 1 39 GLN HG3 3.800 . 6.000 2.754 2.039 4.180 . 0 0 "[ . 1 . 2]" 1
440 1 39 GLN HA 1 40 CYS H 2.400 . 3.600 2.237 2.144 2.555 . 0 0 "[ . 1 . 2]" 1
441 1 39 GLN HB2 1 40 CYS H 3.700 . 5.900 4.451 3.637 4.661 . 0 0 "[ . 1 . 2]" 1
442 1 39 GLN HB3 1 40 CYS H 3.700 . 5.900 3.994 3.012 4.408 . 0 0 "[ . 1 . 2]" 1
443 1 39 GLN HG2 1 40 CYS H 4.600 . 6.000 4.711 3.963 5.426 . 0 0 "[ . 1 . 2]" 1
444 1 39 GLN HG3 1 40 CYS H 5.200 . 6.000 4.499 2.421 5.932 . 0 0 "[ . 1 . 2]" 1
445 1 40 CYS H 1 40 CYS HA 3.000 . 4.700 2.872 2.793 2.946 . 0 0 "[ . 1 . 2]" 1
446 1 40 CYS H 1 40 CYS HB2 2.600 . 4.000 2.425 2.055 3.606 . 0 0 "[ . 1 . 2]" 1
447 1 40 CYS H 1 40 CYS HB3 3.000 . 4.600 3.266 2.417 3.686 . 0 0 "[ . 1 . 2]" 1
448 1 40 CYS H 1 41 GLY H 4.800 . 6.000 3.910 2.308 4.598 . 0 0 "[ . 1 . 2]" 1
449 1 40 CYS HA 1 40 CYS HB2 2.800 . 4.300 2.847 2.419 3.029 . 0 0 "[ . 1 . 2]" 1
450 1 40 CYS HA 1 40 CYS HB3 2.700 . 4.100 2.705 2.256 3.021 . 0 0 "[ . 1 . 2]" 1
451 1 40 CYS HA 1 41 GLY H 2.300 . 3.500 2.495 2.125 3.573 0.073 3 0 "[ . 1 . 2]" 1
452 1 40 CYS HA 1 41 GLY HA2 6.000 . 6.000 4.592 4.373 5.283 . 0 0 "[ . 1 . 2]" 1
453 1 40 CYS HA 1 42 ALA H 3.900 . 6.000 3.882 3.058 5.114 . 0 0 "[ . 1 . 2]" 1
454 1 40 CYS HB2 1 41 GLY H 4.700 . 6.000 4.165 3.046 4.663 . 0 0 "[ . 1 . 2]" 1
455 1 40 CYS HB2 1 42 ALA H 4.600 . 6.000 4.265 2.893 5.174 . 0 0 "[ . 1 . 2]" 1
456 1 40 CYS HB3 1 41 GLY H 3.800 . 6.000 3.604 2.085 4.239 . 0 0 "[ . 1 . 2]" 1
457 1 41 GLY H 1 41 GLY HA2 2.600 . 3.900 2.789 2.320 2.956 . 0 0 "[ . 1 . 2]" 1
458 1 41 GLY H 1 41 GLY HA3 2.700 . 4.100 2.505 2.313 2.948 . 0 0 "[ . 1 . 2]" 1
459 1 41 GLY H 1 42 ALA H 2.700 . 4.100 2.921 2.104 3.477 . 0 0 "[ . 1 . 2]" 1
460 1 41 GLY HA2 1 42 ALA H 3.200 . 5.000 3.083 2.516 3.572 . 0 0 "[ . 1 . 2]" 1
461 1 41 GLY HA3 1 42 ALA H 3.300 . 5.200 3.254 2.724 3.555 . 0 0 "[ . 1 . 2]" 1
462 1 42 ALA H 1 43 SER H 3.600 . 5.700 4.135 3.263 4.612 . 0 0 "[ . 1 . 2]" 1
463 1 42 ALA HA 1 43 SER H 4.500 . 6.000 2.853 2.341 3.471 . 0 0 "[ . 1 . 2]" 1
464 1 43 SER H 1 43 SER QB 2.600 . 3.900 2.829 2.493 3.178 . 0 0 "[ . 1 . 2]" 1
465 1 43 SER H 1 44 VAL H 5.000 . 6.000 4.184 2.331 4.571 . 0 0 "[ . 1 . 2]" 1
466 1 43 SER HA 1 43 SER QB 2.600 . 3.900 2.206 2.159 2.416 . 0 0 "[ . 1 . 2]" 1
467 1 43 SER HA 1 44 VAL H 2.300 . 3.500 2.294 2.127 3.472 . 0 0 "[ . 1 . 2]" 1
468 1 43 SER QB 1 44 VAL H 3.100 . 4.800 3.355 2.864 3.790 . 0 0 "[ . 1 . 2]" 1
469 1 43 SER QB 1 45 LYS QG 6.000 . 6.000 3.040 2.256 4.604 . 0 0 "[ . 1 . 2]" 1
470 1 44 VAL H 1 44 VAL HB 2.600 . 4.000 2.855 2.530 3.720 . 0 0 "[ . 1 . 2]" 1
471 1 44 VAL H 1 45 LYS QG 6.000 . 6.000 4.610 3.747 6.088 0.088 14 0 "[ . 1 . 2]" 1
472 1 44 VAL HA 1 45 LYS H 2.500 . 3.800 2.154 2.123 2.274 . 0 0 "[ . 1 . 2]" 1
473 1 44 VAL HB 1 45 LYS H 3.200 . 5.000 4.181 4.028 4.395 . 0 0 "[ . 1 . 2]" 1
474 1 45 LYS H 1 45 LYS QB 3.000 . 4.600 2.578 2.351 2.968 . 0 0 "[ . 1 . 2]" 1
475 1 45 LYS H 1 45 LYS QD 5.000 . 6.000 4.182 3.353 4.907 . 0 0 "[ . 1 . 2]" 1
476 1 45 LYS H 1 45 LYS QG 3.700 . 5.900 2.991 2.045 4.119 . 0 0 "[ . 1 . 2]" 1
477 1 45 LYS HA 1 45 LYS QB 2.300 . 3.400 2.378 2.181 2.540 . 0 0 "[ . 1 . 2]" 1
478 1 45 LYS HA 1 45 LYS QD 3.500 . 5.500 3.403 1.699 4.175 . 0 0 "[ . 1 . 2]" 1
479 1 45 LYS HA 1 45 LYS QG 3.100 . 4.800 2.544 1.998 3.354 . 0 0 "[ . 1 . 2]" 1
480 1 45 LYS HA 1 46 CYS H 2.400 . 3.600 2.322 2.128 2.630 . 0 0 "[ . 1 . 2]" 1
481 1 45 LYS QB 1 45 LYS QE 3.100 . 4.800 2.675 1.816 3.717 . 0 0 "[ . 1 . 2]" 1
482 1 45 LYS QB 1 45 LYS QG 2.100 . 3.200 2.039 1.980 2.089 . 0 0 "[ . 1 . 2]" 1
483 1 45 LYS QB 1 46 CYS H 3.600 . 5.700 2.701 1.998 3.420 . 0 0 "[ . 1 . 2]" 1
484 1 45 LYS QB 1 67 VAL H 4.900 . 6.000 5.017 3.983 5.781 . 0 0 "[ . 1 . 2]" 1
485 1 45 LYS QD 1 46 CYS H 5.100 . 6.000 4.338 3.094 5.243 . 0 0 "[ . 1 . 2]" 1
486 1 45 LYS QE 1 45 LYS QG 3.300 . 5.200 2.309 1.983 2.835 . 0 0 "[ . 1 . 2]" 1
487 1 45 LYS HE2 1 68 ALA HA 3.300 . 5.200 4.523 2.730 5.327 0.127 1 0 "[ . 1 . 2]" 1
488 1 45 LYS QG 1 46 CYS H 4.700 . 6.000 3.917 2.568 4.591 . 0 0 "[ . 1 . 2]" 1
489 1 46 CYS H 1 46 CYS HB2 3.500 . 5.600 2.598 2.186 3.063 . 0 0 "[ . 1 . 2]" 1
490 1 46 CYS H 1 46 CYS HB3 2.800 . 4.300 3.613 3.253 3.820 . 0 0 "[ . 1 . 2]" 1
491 1 46 CYS H 1 47 CYS H 4.800 . 6.000 4.068 3.743 4.471 . 0 0 "[ . 1 . 2]" 1
492 1 46 CYS H 1 67 VAL H 4.100 . 6.000 4.607 3.630 5.579 . 0 0 "[ . 1 . 2]" 1
493 1 46 CYS HA 1 46 CYS HB2 2.800 . 4.300 2.983 2.792 3.033 . 0 0 "[ . 1 . 2]" 1
494 1 46 CYS HA 1 46 CYS HB3 3.000 . 4.600 2.499 2.251 2.904 . 0 0 "[ . 1 . 2]" 1
495 1 46 CYS HA 1 47 CYS H 2.300 . 3.400 2.198 2.115 2.339 . 0 0 "[ . 1 . 2]" 1
496 1 46 CYS HA 1 47 CYS HB3 6.000 . 6.000 5.656 4.949 5.878 . 0 0 "[ . 1 . 2]" 1
497 1 46 CYS HB2 1 47 CYS H 3.900 . 6.000 4.396 4.003 4.648 . 0 0 "[ . 1 . 2]" 1
498 1 46 CYS HB3 1 47 CYS H 3.900 . 6.000 3.898 3.204 4.212 . 0 0 "[ . 1 . 2]" 1
499 1 46 CYS HB3 1 47 CYS HA 4.000 . 6.000 3.751 3.002 4.389 . 0 0 "[ . 1 . 2]" 1
500 1 47 CYS H 1 47 CYS HB2 3.200 . 5.000 2.831 2.521 3.249 . 0 0 "[ . 1 . 2]" 1
501 1 47 CYS H 1 47 CYS HB3 3.200 . 5.000 3.692 2.838 3.864 . 0 0 "[ . 1 . 2]" 1
502 1 47 CYS H 1 48 LYS H 4.800 . 6.000 4.463 4.369 4.559 . 0 0 "[ . 1 . 2]" 1
503 1 47 CYS H 1 66 CYS HA 4.100 . 6.000 4.564 4.169 4.956 . 0 0 "[ . 1 . 2]" 1
504 1 47 CYS HA 1 47 CYS HB2 2.700 . 4.100 2.961 2.612 3.027 . 0 0 "[ . 1 . 2]" 1
505 1 47 CYS HA 1 47 CYS HB3 2.900 . 4.500 2.409 2.251 2.988 . 0 0 "[ . 1 . 2]" 1
506 1 47 CYS HA 1 48 LYS H 2.500 . 3.800 2.348 2.128 2.688 . 0 0 "[ . 1 . 2]" 1
507 1 47 CYS HA 1 48 LYS HA 5.600 . 6.000 4.415 4.349 4.533 . 0 0 "[ . 1 . 2]" 1
508 1 47 CYS HA 1 48 LYS HB2 4.900 . 6.000 4.154 3.934 4.445 . 0 0 "[ . 1 . 2]" 1
509 1 47 CYS HA 1 48 LYS HB3 4.100 . 6.000 4.992 4.505 5.532 . 0 0 "[ . 1 . 2]" 1
510 1 47 CYS HA 1 48 LYS HE3 5.400 . 6.000 4.792 3.930 5.879 . 0 0 "[ . 1 . 2]" 1
511 1 47 CYS HA 1 66 CYS H 5.100 . 6.000 4.592 3.931 5.192 . 0 0 "[ . 1 . 2]" 1
512 1 47 CYS HA 1 66 CYS HA 2.900 . 4.500 1.916 1.385 2.361 . 0 0 "[ . 1 . 2]" 1
513 1 47 CYS HA 1 67 VAL H 3.500 . 5.600 2.968 2.247 3.588 . 0 0 "[ . 1 . 2]" 1
514 1 47 CYS HB2 1 48 LYS H 3.600 . 5.700 3.504 2.491 4.207 . 0 0 "[ . 1 . 2]" 1
515 1 47 CYS HB2 1 48 LYS HB3 5.400 . 6.000 4.747 4.353 5.334 . 0 0 "[ . 1 . 2]" 1
516 1 47 CYS HB2 1 65 ASN HD21 5.300 . 6.000 3.748 2.409 5.372 . 0 0 "[ . 1 . 2]" 1
517 1 47 CYS HB2 1 65 ASN HD22 6.000 . 6.000 3.980 2.593 5.299 . 0 0 "[ . 1 . 2]" 1
518 1 47 CYS HB2 1 66 CYS H 5.500 . 6.000 5.583 4.944 6.410 0.410 14 0 "[ . 1 . 2]" 1
519 1 47 CYS HB3 1 48 LYS H 3.100 . 4.800 2.830 2.192 3.569 . 0 0 "[ . 1 . 2]" 1
520 1 48 LYS H 1 48 LYS HB2 2.900 . 4.400 2.655 2.140 3.244 . 0 0 "[ . 1 . 2]" 1
521 1 48 LYS H 1 48 LYS HB3 2.800 . 4.300 2.860 2.431 3.393 . 0 0 "[ . 1 . 2]" 1
522 1 48 LYS H 1 65 ASN HA 5.600 . 6.000 4.434 3.146 5.109 . 0 0 "[ . 1 . 2]" 1
523 1 48 LYS H 1 65 ASN QB 3.400 . 5.300 3.321 2.615 3.847 . 0 0 "[ . 1 . 2]" 1
524 1 48 LYS H 1 65 ASN HD21 5.000 . 6.000 5.200 3.420 6.060 0.060 5 0 "[ . 1 . 2]" 1
525 1 48 LYS H 1 65 ASN HD22 5.600 . 6.000 5.715 4.790 6.151 0.151 16 0 "[ . 1 . 2]" 1
526 1 48 LYS H 1 66 CYS HA 3.500 . 5.500 3.038 1.838 3.728 . 0 0 "[ . 1 . 2]" 1
527 1 48 LYS HA 1 48 LYS HB3 2.400 . 3.600 2.971 2.810 3.030 . 0 0 "[ . 1 . 2]" 1
528 1 48 LYS HA 1 49 ASP H 2.800 . 4.300 3.116 2.143 3.548 . 0 0 "[ . 1 . 2]" 1
529 1 48 LYS HA 1 49 ASP QB 4.300 . 6.000 4.386 3.944 4.690 . 0 0 "[ . 1 . 2]" 1
530 1 48 LYS HA 1 65 ASN HD21 4.700 . 6.000 4.991 3.992 5.706 . 0 0 "[ . 1 . 2]" 1
531 1 48 LYS HB2 1 65 ASN HD21 6.000 . 6.000 5.201 4.249 6.088 0.088 14 0 "[ . 1 . 2]" 1
532 1 48 LYS HB2 1 65 ASN HD22 6.000 . 6.000 5.156 3.107 6.019 0.019 1 0 "[ . 1 . 2]" 1
533 1 48 LYS HB2 1 49 ASP H 3.400 . 5.400 3.878 3.073 4.657 . 0 0 "[ . 1 . 2]" 1
534 1 48 LYS HB3 1 48 LYS HE2 3.500 . 5.600 3.977 2.510 5.476 . 0 0 "[ . 1 . 2]" 1
535 1 48 LYS HB3 1 48 LYS HE3 4.000 . 6.000 4.039 2.590 5.036 . 0 0 "[ . 1 . 2]" 1
536 1 48 LYS HB3 1 49 ASP H 3.700 . 5.900 3.169 1.871 4.374 . 0 0 "[ . 1 . 2]" 1
537 1 48 LYS HB3 1 65 ASN HA 5.000 . 6.000 4.557 3.196 5.659 . 0 0 "[ . 1 . 2]" 1
538 1 48 LYS HB3 1 65 ASN HD21 6.000 . 6.000 5.123 3.481 6.021 0.021 18 0 "[ . 1 . 2]" 1
539 1 48 LYS HB3 1 65 ASN HD22 6.000 . 6.000 5.442 4.280 6.118 0.118 12 0 "[ . 1 . 2]" 1
540 1 48 LYS QD 1 49 ASP H 6.000 . 6.000 4.401 2.216 5.957 . 0 0 "[ . 1 . 2]" 1
541 1 49 ASP H 1 49 ASP HA 2.600 . 3.900 2.502 2.244 2.940 . 0 0 "[ . 1 . 2]" 1
542 1 49 ASP H 1 49 ASP QB 3.000 . 4.600 2.700 2.192 3.304 . 0 0 "[ . 1 . 2]" 1
543 1 49 ASP H 1 62 ASN HD22 4.500 . 6.000 5.144 3.368 6.634 0.634 16 1 "[ . 1 .+ 2]" 1
544 1 49 ASP H 1 65 ASN QB 5.100 . 6.000 2.932 1.647 4.346 . 0 0 "[ . 1 . 2]" 1
545 1 49 ASP HA 1 50 ASP H 2.400 . 3.600 2.823 2.174 3.494 . 0 0 "[ . 1 . 2]" 1
546 1 49 ASP HA 1 51 VAL H 6.000 . 6.000 5.090 3.700 6.067 0.067 6 0 "[ . 1 . 2]" 1
547 1 49 ASP HA 1 65 ASN HD21 5.000 . 6.000 2.404 1.689 3.822 . 0 0 "[ . 1 . 2]" 1
548 1 49 ASP HA 1 65 ASN HD22 5.300 . 6.000 2.772 2.058 3.742 . 0 0 "[ . 1 . 2]" 1
549 1 49 ASP HA 1 66 CYS H 6.000 . 6.000 6.097 6.020 6.201 0.201 5 0 "[ . 1 . 2]" 1
550 1 49 ASP QB 1 50 ASP H 4.000 . 6.000 2.528 1.619 3.931 . 0 0 "[ . 1 . 2]" 1
551 1 49 ASP QB 1 61 ILE HG13 4.900 . 6.000 4.082 2.175 5.837 . 0 0 "[ . 1 . 2]" 1
552 1 49 ASP QB 1 65 ASN HD21 5.300 . 6.000 3.794 2.411 5.590 . 0 0 "[ . 1 . 2]" 1
553 1 49 ASP QB 1 65 ASN HD22 5.600 . 6.000 4.027 2.599 5.472 . 0 0 "[ . 1 . 2]" 1
554 1 50 ASP H 1 50 ASP HA 2.800 . 4.300 2.884 2.253 2.948 . 0 0 "[ . 1 . 2]" 1
555 1 50 ASP H 1 50 ASP HB2 3.000 . 4.600 2.831 2.133 3.272 . 0 0 "[ . 1 . 2]" 1
556 1 50 ASP H 1 50 ASP HB3 3.800 . 6.000 2.983 2.475 3.886 . 0 0 "[ . 1 . 2]" 1
557 1 50 ASP H 1 51 VAL H 6.000 . 6.000 3.293 1.751 4.461 . 0 0 "[ . 1 . 2]" 1
558 1 50 ASP HA 1 50 ASP HB2 2.700 . 4.100 2.620 2.453 2.926 . 0 0 "[ . 1 . 2]" 1
559 1 50 ASP HA 1 50 ASP HB3 3.000 . 4.700 2.973 2.755 3.030 . 0 0 "[ . 1 . 2]" 1
560 1 50 ASP HA 1 51 VAL H 2.500 . 3.800 2.623 2.123 3.529 . 0 0 "[ . 1 . 2]" 1
561 1 50 ASP HB2 1 51 VAL H 4.200 . 6.000 4.313 3.164 4.638 . 0 0 "[ . 1 . 2]" 1
562 1 50 ASP HB3 1 51 VAL H 6.000 . 6.000 3.914 1.739 4.454 . 0 0 "[ . 1 . 2]" 1
563 1 50 ASP HB3 1 51 VAL HA 3.900 . 6.000 3.991 3.824 4.210 . 0 0 "[ . 1 . 2]" 1
564 1 51 VAL H 1 51 VAL HB 3.600 . 5.700 3.236 2.525 3.805 . 0 0 "[ . 1 . 2]" 1
565 1 51 VAL H 1 52 THR H 6.000 . 6.000 3.501 2.319 4.498 . 0 0 "[ . 1 . 2]" 1
566 1 51 VAL HA 1 51 VAL HB 2.700 . 4.100 2.767 2.361 3.030 . 0 0 "[ . 1 . 2]" 1
567 1 51 VAL HA 1 52 THR H 4.100 . 6.000 2.535 2.117 3.522 . 0 0 "[ . 1 . 2]" 1
568 1 51 VAL HB 1 52 THR H 3.400 . 5.300 4.154 3.390 4.571 . 0 0 "[ . 1 . 2]" 1
569 1 52 THR H 1 52 THR HA 3.000 . 4.600 2.900 2.865 2.949 . 0 0 "[ . 1 . 2]" 1
570 1 52 THR HA 1 53 ASN H 3.000 . 4.600 3.215 2.165 3.568 . 0 0 "[ . 1 . 2]" 1
571 1 52 THR HB 1 53 ASN H 6.000 . 6.000 3.217 1.641 4.313 . 0 0 "[ . 1 . 2]" 1
572 1 52 THR HB 1 53 ASN HB2 4.600 . 6.000 4.068 3.190 5.044 . 0 0 "[ . 1 . 2]" 1
573 1 53 ASN H 1 53 ASN HB2 3.400 . 5.300 2.931 2.145 3.883 . 0 0 "[ . 1 . 2]" 1
574 1 53 ASN H 1 53 ASN HB3 3.700 . 5.900 2.988 2.234 3.625 . 0 0 "[ . 1 . 2]" 1
575 1 53 ASN H 1 53 ASN HD22 6.000 . 6.000 5.736 3.672 6.383 0.383 8 0 "[ . 1 . 2]" 1
576 1 53 ASN H 1 54 THR H 6.000 . 6.000 3.277 1.785 4.583 . 0 0 "[ . 1 . 2]" 1
577 1 53 ASN HA 1 53 ASN HB2 2.700 . 4.100 2.608 2.257 3.022 . 0 0 "[ . 1 . 2]" 1
578 1 53 ASN HA 1 53 ASN HB3 2.700 . 4.100 2.904 2.454 3.025 . 0 0 "[ . 1 . 2]" 1
579 1 53 ASN HA 1 54 THR H 2.900 . 4.500 2.962 2.153 3.570 . 0 0 "[ . 1 . 2]" 1
580 1 53 ASN HB2 1 53 ASN HD21 3.100 . 4.800 2.477 2.103 3.430 . 0 0 "[ . 1 . 2]" 1
581 1 53 ASN HB2 1 54 THR H 6.000 . 6.000 3.835 2.486 4.591 . 0 0 "[ . 1 . 2]" 1
582 1 53 ASN HB3 1 53 ASN HD21 3.500 . 5.600 2.752 2.125 3.473 . 0 0 "[ . 1 . 2]" 1
583 1 53 ASN HB3 1 54 THR H 3.600 . 5.700 3.098 1.551 4.274 . 0 0 "[ . 1 . 2]" 1
584 1 54 THR H 1 54 THR HA 2.900 . 4.400 2.891 2.852 2.947 . 0 0 "[ . 1 . 2]" 1
585 1 54 THR H 1 55 GLY H 3.300 . 5.200 3.524 2.137 4.576 . 0 0 "[ . 1 . 2]" 1
586 1 54 THR HA 1 55 GLY H 2.900 . 4.400 2.685 2.127 3.547 . 0 0 "[ . 1 . 2]" 1
587 1 54 THR HB 1 55 GLY H 6.000 . 6.000 3.711 1.775 4.317 . 0 0 "[ . 1 . 2]" 1
588 1 55 GLY H 1 55 GLY HA2 2.700 . 4.100 2.682 2.291 2.956 . 0 0 "[ . 1 . 2]" 1
589 1 55 GLY H 1 56 ASN H 3.400 . 5.300 3.768 2.225 4.624 . 0 0 "[ . 1 . 2]" 1
590 1 55 GLY HA2 1 56 ASN H 2.800 . 4.300 2.447 2.129 3.347 . 0 0 "[ . 1 . 2]" 1
591 1 55 GLY HA3 1 56 ASN H 6.000 . 6.000 3.144 2.141 3.566 . 0 0 "[ . 1 . 2]" 1
592 1 56 ASN H 1 56 ASN HB3 3.900 . 6.000 2.972 2.727 3.554 . 0 0 "[ . 1 . 2]" 1
593 1 56 ASN H 1 56 ASN HD22 4.600 . 6.000 5.620 3.419 6.364 0.364 16 0 "[ . 1 . 2]" 1
594 1 56 ASN H 1 57 SER H 6.000 . 6.000 3.349 2.104 4.599 . 0 0 "[ . 1 . 2]" 1
595 1 56 ASN HA 1 57 SER H 2.700 . 4.100 3.147 2.131 3.578 . 0 0 "[ . 1 . 2]" 1
596 1 56 ASN HA 1 58 PHE H 5.500 . 6.000 4.603 3.449 5.778 . 0 0 "[ . 1 . 2]" 1
597 1 56 ASN HB2 1 56 ASN HD21 3.500 . 5.500 2.725 2.112 3.352 . 0 0 "[ . 1 . 2]" 1
598 1 56 ASN HB2 1 57 SER H 4.200 . 6.000 3.399 1.649 4.569 . 0 0 "[ . 1 . 2]" 1
599 1 56 ASN HB2 1 58 PHE H 5.300 . 6.000 4.665 3.657 5.969 . 0 0 "[ . 1 . 2]" 1
600 1 56 ASN HB3 1 57 SER H 3.100 . 4.800 2.573 1.451 4.014 . 0 0 "[ . 1 . 2]" 1
601 1 56 ASN HB3 1 58 PHE H 6.000 . 6.000 3.731 2.255 5.181 . 0 0 "[ . 1 . 2]" 1
602 1 57 SER H 1 57 SER HA 3.000 . 4.600 2.898 2.862 2.950 . 0 0 "[ . 1 . 2]" 1
603 1 57 SER H 1 58 PHE H 2.900 . 4.500 2.312 1.785 2.742 . 0 0 "[ . 1 . 2]" 1
604 1 57 SER HA 1 58 PHE H 2.900 . 4.400 3.437 3.278 3.562 . 0 0 "[ . 1 . 2]" 1
605 1 57 SER HA 1 58 PHE QB 4.400 . 6.000 4.778 4.633 5.138 . 0 0 "[ . 1 . 2]" 1
606 1 57 SER QB 1 58 PHE H 3.100 . 4.800 3.108 2.140 3.576 . 0 0 "[ . 1 . 2]" 1
607 1 58 PHE H 1 58 PHE HA 3.000 . 4.700 2.896 2.847 2.931 . 0 0 "[ . 1 . 2]" 1
608 1 58 PHE H 1 58 PHE QB 2.700 . 4.100 2.800 2.180 3.310 . 0 0 "[ . 1 . 2]" 1
609 1 58 PHE H 1 59 LEU H 4.700 . 6.000 4.230 3.664 4.393 . 0 0 "[ . 1 . 2]" 1
610 1 58 PHE HA 1 58 PHE QB 2.300 . 3.500 2.416 2.169 2.541 . 0 0 "[ . 1 . 2]" 1
611 1 58 PHE HA 1 59 LEU H 2.300 . 3.400 2.287 2.101 2.727 . 0 0 "[ . 1 . 2]" 1
612 1 58 PHE HA 1 59 LEU HG 4.400 . 6.000 4.840 3.142 6.062 0.062 4 0 "[ . 1 . 2]" 1
613 1 58 PHE QB 1 59 LEU H 3.300 . 5.200 3.177 1.979 3.896 . 0 0 "[ . 1 . 2]" 1
614 1 58 PHE QB 1 59 LEU HA 3.800 . 6.000 4.319 3.912 4.828 . 0 0 "[ . 1 . 2]" 1
615 1 59 LEU H 1 59 LEU HA 3.000 . 4.600 2.934 2.905 2.950 . 0 0 "[ . 1 . 2]" 1
616 1 59 LEU H 1 59 LEU HB2 3.300 . 5.200 2.567 2.252 3.722 . 0 0 "[ . 1 . 2]" 1
617 1 59 LEU H 1 59 LEU HB3 3.600 . 5.800 3.491 3.165 3.729 . 0 0 "[ . 1 . 2]" 1
618 1 59 LEU H 1 59 LEU HG 3.500 . 5.500 3.650 2.032 4.766 . 0 0 "[ . 1 . 2]" 1
619 1 59 LEU H 1 60 ILE H 6.000 . 6.000 4.242 3.852 4.508 . 0 0 "[ . 1 . 2]" 1
620 1 59 LEU H 1 60 ILE H 6.000 . 6.000 3.772 3.422 3.975 . 0 0 "[ . 1 . 2]" 1
621 1 59 LEU HA 1 59 LEU HG 2.900 . 4.400 2.678 2.140 3.649 . 0 0 "[ . 1 . 2]" 1
622 1 59 LEU HA 1 60 ILE H 2.900 . 4.500 2.184 2.131 2.289 . 0 0 "[ . 1 . 2]" 1
623 1 59 LEU HA 1 60 ILE HB 3.800 . 6.000 4.667 4.269 5.519 . 0 0 "[ . 1 . 2]" 1
624 1 59 LEU HB2 1 60 ILE H 6.000 . 6.000 4.334 3.475 4.614 . 0 0 "[ . 1 . 2]" 1
625 1 60 ILE H 1 60 ILE HB 2.700 . 4.100 2.590 2.246 3.467 . 0 0 "[ . 1 . 2]" 1
626 1 60 ILE H 1 60 ILE HG12 3.800 . 6.000 3.822 2.190 4.745 . 0 0 "[ . 1 . 2]" 1
627 1 60 ILE H 1 60 ILE HG13 3.400 . 5.300 3.068 1.515 4.365 . 0 0 "[ . 1 . 2]" 1
628 1 60 ILE HA 1 60 ILE HG12 3.400 . 5.400 3.223 2.579 3.461 . 0 0 "[ . 1 . 2]" 1
629 1 60 ILE HA 1 60 ILE HG13 3.400 . 5.300 2.652 2.074 3.790 . 0 0 "[ . 1 . 2]" 1
630 1 60 ILE HA 1 61 ILE H 2.300 . 3.500 2.172 2.104 2.409 . 0 0 "[ . 1 . 2]" 1
631 1 60 ILE HB 1 60 ILE HG13 2.500 . 3.800 2.774 2.418 2.997 . 0 0 "[ . 1 . 2]" 1
632 1 60 ILE HB 1 61 ILE H 6.000 . 6.000 4.312 3.252 4.492 . 0 0 "[ . 1 . 2]" 1
633 1 60 ILE HG12 1 61 ILE H 6.000 . 6.000 5.038 3.463 5.569 . 0 0 "[ . 1 . 2]" 1
634 1 61 ILE H 1 61 ILE HA 2.900 . 4.400 2.918 2.875 2.951 . 0 0 "[ . 1 . 2]" 1
635 1 61 ILE H 1 61 ILE HB 2.600 . 3.900 2.684 2.216 3.606 . 0 0 "[ . 1 . 2]" 1
636 1 61 ILE H 1 61 ILE HG12 3.700 . 5.900 3.598 1.776 4.775 . 0 0 "[ . 1 . 2]" 1
637 1 61 ILE H 1 61 ILE HG13 3.100 . 4.800 2.742 1.483 3.976 . 0 0 "[ . 1 . 2]" 1
638 1 61 ILE HA 1 61 ILE HG12 2.800 . 4.300 3.041 2.316 3.757 . 0 0 "[ . 1 . 2]" 1
639 1 61 ILE HA 1 62 ASN H 3.000 . 4.600 2.286 2.145 2.789 . 0 0 "[ . 1 . 2]" 1
640 1 61 ILE HB 1 61 ILE HG13 2.900 . 4.400 2.651 2.414 2.964 . 0 0 "[ . 1 . 2]" 1
641 1 61 ILE HB 1 62 ASN H 6.000 . 6.000 3.644 1.867 4.284 . 0 0 "[ . 1 . 2]" 1
642 1 61 ILE HG12 1 62 ASN H 5.000 . 6.000 4.433 3.586 5.144 . 0 0 "[ . 1 . 2]" 1
643 1 61 ILE HG13 1 62 ASN H 6.000 . 6.000 4.603 3.715 5.408 . 0 0 "[ . 1 . 2]" 1
644 1 62 ASN H 1 62 ASN HA 3.000 . 4.600 2.891 2.800 2.950 . 0 0 "[ . 1 . 2]" 1
645 1 62 ASN H 1 62 ASN HB2 2.600 . 4.000 2.408 2.123 2.722 . 0 0 "[ . 1 . 2]" 1
646 1 62 ASN H 1 62 ASN HB3 3.000 . 4.600 2.856 2.509 3.202 . 0 0 "[ . 1 . 2]" 1
647 1 62 ASN H 1 62 ASN HD21 6.000 . 6.000 4.761 4.324 5.093 . 0 0 "[ . 1 . 2]" 1
648 1 62 ASN H 1 65 ASN QB 6.000 . 6.000 4.398 3.106 5.870 . 0 0 "[ . 1 . 2]" 1
649 1 62 ASN H 1 65 ASN HD21 4.400 . 6.000 4.243 3.202 5.291 . 0 0 "[ . 1 . 2]" 1
650 1 62 ASN H 1 65 ASN HD22 4.300 . 6.000 4.437 2.072 6.011 0.011 14 0 "[ . 1 . 2]" 1
651 1 62 ASN HA 1 62 ASN HB2 3.000 . 4.600 2.649 2.476 2.825 . 0 0 "[ . 1 . 2]" 1
652 1 62 ASN HA 1 62 ASN HD21 4.600 . 6.000 4.055 3.016 4.475 . 0 0 "[ . 1 . 2]" 1
653 1 62 ASN HA 1 62 ASN HD22 5.000 . 6.000 4.331 3.734 4.706 . 0 0 "[ . 1 . 2]" 1
654 1 62 ASN HA 1 63 ALA H 2.300 . 3.400 2.529 2.158 3.296 . 0 0 "[ . 1 . 2]" 1
655 1 62 ASN HA 1 64 ALA H 6.000 . 6.000 4.222 3.650 4.866 . 0 0 "[ . 1 . 2]" 1
656 1 62 ASN HB2 1 63 ALA H 4.500 . 6.000 4.218 3.816 4.582 . 0 0 "[ . 1 . 2]" 1
657 1 62 ASN HB2 1 65 ASN H 5.100 . 6.000 5.301 4.298 6.706 0.706 1 2 "[+ - 1 . 2]" 1
658 1 62 ASN HB2 1 65 ASN HD21 6.000 . 6.000 4.973 3.404 6.087 0.087 15 0 "[ . 1 . 2]" 1
659 1 62 ASN HB2 1 65 ASN HD22 4.200 . 6.000 5.133 3.398 6.047 0.047 20 0 "[ . 1 . 2]" 1
660 1 62 ASN HB3 1 63 ALA H 4.200 . 6.000 3.794 2.920 4.278 . 0 0 "[ . 1 . 2]" 1
661 1 62 ASN HB3 1 64 ALA H 6.000 . 6.000 3.187 2.182 4.196 . 0 0 "[ . 1 . 2]" 1
662 1 62 ASN HB3 1 65 ASN HD21 6.000 . 6.000 4.465 2.398 6.086 0.086 12 0 "[ . 1 . 2]" 1
663 1 62 ASN HB3 1 65 ASN HD22 4.000 . 6.000 4.750 2.187 6.037 0.037 11 0 "[ . 1 . 2]" 1
664 1 62 ASN HD22 1 64 ALA H 5.700 . 6.000 5.157 3.370 6.657 0.657 16 1 "[ . 1 .+ 2]" 1
665 1 63 ALA H 1 64 ALA H 3.000 . 4.600 3.143 2.556 4.039 . 0 0 "[ . 1 . 2]" 1
666 1 63 ALA HA 1 64 ALA H 3.700 . 5.900 3.266 2.505 3.589 . 0 0 "[ . 1 . 2]" 1
667 1 63 ALA HA 1 65 ASN H 3.900 . 6.000 3.985 3.477 4.734 . 0 0 "[ . 1 . 2]" 1
668 1 63 ALA HA 1 66 CYS H 3.600 . 5.700 3.892 2.868 5.347 . 0 0 "[ . 1 . 2]" 1
669 1 63 ALA HA 1 66 CYS HB2 3.400 . 5.400 3.904 2.148 5.519 0.119 3 0 "[ . 1 . 2]" 1
670 1 63 ALA HA 1 66 CYS HB3 3.700 . 5.900 4.143 2.095 5.913 0.013 20 0 "[ . 1 . 2]" 1
671 1 64 ALA H 1 65 ASN H 6.000 . 6.000 2.593 2.077 3.537 . 0 0 "[ . 1 . 2]" 1
672 1 64 ALA H 1 66 CYS H 4.900 . 6.000 3.954 2.480 5.199 . 0 0 "[ . 1 . 2]" 1
673 1 64 ALA HA 1 65 ASN H 3.700 . 5.900 3.272 2.589 3.569 . 0 0 "[ . 1 . 2]" 1
674 1 64 ALA HA 1 66 CYS H 3.800 . 6.000 3.915 3.280 4.711 . 0 0 "[ . 1 . 2]" 1
675 1 65 ASN H 1 65 ASN QB 3.100 . 4.100 2.636 2.146 3.091 . 0 0 "[ . 1 . 2]" 1
676 1 65 ASN H 1 65 ASN HD21 3.700 . 5.900 4.193 2.370 5.105 . 0 0 "[ . 1 . 2]" 1
677 1 65 ASN H 1 65 ASN HD22 5.500 . 6.000 4.749 3.451 6.041 0.041 5 0 "[ . 1 . 2]" 1
678 1 65 ASN H 1 66 CYS H 2.600 . 4.000 2.190 1.665 2.592 . 0 0 "[ . 1 . 2]" 1
679 1 65 ASN HA 1 65 ASN QB 2.600 . 4.000 2.353 2.169 2.539 . 0 0 "[ . 1 . 2]" 1
680 1 65 ASN HA 1 66 CYS H 3.200 . 5.000 3.266 2.934 3.528 . 0 0 "[ . 1 . 2]" 1
681 1 65 ASN QB 1 66 CYS H 4.700 . 5.300 3.467 2.300 3.792 . 0 0 "[ . 1 . 2]" 1
682 1 65 ASN QB 1 66 CYS HA 6.000 . 6.000 4.315 3.896 4.623 . 0 0 "[ . 1 . 2]" 1
683 1 66 CYS H 1 66 CYS HA 3.000 . 4.600 2.915 2.871 2.945 . 0 0 "[ . 1 . 2]" 1
684 1 66 CYS H 1 66 CYS HB2 3.600 . 5.700 2.698 2.389 3.003 . 0 0 "[ . 1 . 2]" 1
685 1 66 CYS H 1 66 CYS HB3 3.200 . 5.000 3.097 2.245 3.723 . 0 0 "[ . 1 . 2]" 1
686 1 66 CYS H 1 67 VAL H 5.400 . 6.000 4.455 4.150 4.623 . 0 0 "[ . 1 . 2]" 1
687 1 66 CYS HA 1 66 CYS HB2 2.800 . 4.200 2.739 2.339 3.031 . 0 0 "[ . 1 . 2]" 1
688 1 66 CYS HA 1 66 CYS HB3 3.000 . 4.700 2.778 2.278 3.030 . 0 0 "[ . 1 . 2]" 1
689 1 66 CYS HA 1 67 VAL H 2.400 . 3.600 2.249 2.139 2.538 . 0 0 "[ . 1 . 2]" 1
690 1 66 CYS HA 1 67 VAL HA 5.300 . 6.000 4.366 4.300 4.441 . 0 0 "[ . 1 . 2]" 1
691 1 66 CYS HB2 1 67 VAL H 3.500 . 5.600 4.123 3.567 4.452 . 0 0 "[ . 1 . 2]" 1
692 1 66 CYS HB3 1 67 VAL H 3.400 . 5.400 3.605 2.568 4.339 . 0 0 "[ . 1 . 2]" 1
693 1 67 VAL H 1 67 VAL HA 3.000 . 4.600 2.911 2.870 2.952 . 0 0 "[ . 1 . 2]" 1
694 1 67 VAL H 1 67 VAL HB 3.100 . 4.800 3.397 2.354 3.752 . 0 0 "[ . 1 . 2]" 1
695 1 67 VAL H 1 68 ALA H 3.100 . 4.800 2.888 2.094 4.538 . 0 0 "[ . 1 . 2]" 1
696 1 67 VAL HA 1 67 VAL HB 2.700 . 4.100 2.633 2.471 3.025 . 0 0 "[ . 1 . 2]" 1
697 1 67 VAL HA 1 68 ALA H 6.000 . 6.000 3.207 2.144 3.569 . 0 0 "[ . 1 . 2]" 1
698 1 67 VAL HB 1 68 ALA H 3.500 . 5.500 3.215 1.488 4.405 0.012 15 0 "[ . 1 . 2]" 1
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