NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434207 |
2jwh   |
15752 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jwh
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 548
_Distance_constraint_stats_list.Viol_count 890
_Distance_constraint_stats_list.Viol_total 4324.466
_Distance_constraint_stats_list.Viol_max 1.533
_Distance_constraint_stats_list.Viol_rms 0.0488
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.1388
_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 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 9 VAL 0.474 0.262 5 0 "[ . 1 . 2 . 3 .]"
1 10 PRO 0.759 0.476 5 0 "[ . 1 . 2 . 3 .]"
1 11 VAL 1.542 0.476 5 0 "[ . 1 . 2 . 3 .]"
1 12 THR 0.889 0.247 18 0 "[ . 1 . 2 . 3 .]"
1 13 GLN 1.215 0.303 3 0 "[ . 1 . 2 . 3 .]"
1 14 THR 1.109 0.303 3 0 "[ . 1 . 2 . 3 .]"
1 15 GLN 0.211 0.152 22 0 "[ . 1 . 2 . 3 .]"
1 16 THR 0.282 0.124 9 0 "[ . 1 . 2 . 3 .]"
1 17 ALA 0.231 0.124 9 0 "[ . 1 . 2 . 3 .]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 19 ALA 0.250 0.091 8 0 "[ . 1 . 2 . 3 .]"
1 20 ASP 0.908 0.140 26 0 "[ . 1 . 2 . 3 .]"
1 21 THR 0.706 0.140 26 0 "[ . 1 . 2 . 3 .]"
1 22 THR 1.440 0.206 29 0 "[ . 1 . 2 . 3 .]"
1 23 ALA 2.967 0.258 6 0 "[ . 1 . 2 . 3 .]"
1 24 GLU 22.767 0.988 1 12 "[+ -. ** * . * 2*** . * * * .]"
1 25 LYS 9.428 0.567 3 1 "[ + . 1 . 2 . 3 .]"
1 26 CYS 14.650 0.879 22 6 "[ * . 1 * . - 2 +* . 3 * .]"
1 27 LYS 19.087 0.988 1 12 "[+ *. ** * . - 2*** . * * * .]"
1 28 GLY 0.374 0.150 28 0 "[ . 1 . 2 . 3 .]"
1 29 LYS 10.158 0.422 9 0 "[ . 1 . 2 . 3 .]"
1 30 GLY 6.847 0.851 14 2 "[ . 1 +. 2- . 3 .]"
1 31 GLU 4.480 0.727 25 1 "[ . 1 . 2 + 3 .]"
1 32 LYS 4.476 0.727 25 1 "[ . 1 . 2 + 3 .]"
1 33 ASP 16.515 0.851 14 17 "[* * ** * 1 +* *2**- . ***** *]"
1 34 CYS 4.970 0.422 9 0 "[ . 1 . 2 . 3 .]"
1 35 LYS 9.159 0.864 30 5 "[ . 1 * 2 - . + * *.]"
1 36 SER 15.277 1.533 31 10 "[ . * 1* * 2 - *. *+***.]"
1 37 PRO 0.482 0.179 33 0 "[ . 1 . 2 . 3 .]"
1 38 ASP 4.081 0.414 24 0 "[ . 1 . 2 . 3 .]"
1 39 CYS 11.138 1.533 31 5 "[ . * 1- . 2 *. 3+ * .]"
1 40 LYS 6.187 0.966 20 2 "[ . 1 . + . - 3 .]"
1 41 TRP 12.313 0.512 25 1 "[ . 1 . 2 + 3 .]"
1 42 GLU 1.485 0.156 6 0 "[ . 1 . 2 . 3 .]"
1 43 GLY 0.198 0.156 6 0 "[ . 1 . 2 . 3 .]"
1 44 GLY 0.196 0.069 22 0 "[ . 1 . 2 . 3 .]"
1 45 THR 5.165 0.203 18 0 "[ . 1 . 2 . 3 .]"
1 46 CYS 6.650 0.494 17 0 "[ . 1 . 2 . 3 .]"
1 47 LYS 9.495 0.966 20 2 "[ . 1 . + . - 3 .]"
1 48 ASP 5.345 0.710 22 1 "[ . 1 . 2 + . 3 .]"
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 3 LYS H 1 3 LYS QD 5.300 . 6.000 4.245 1.977 5.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 5 SER H 1 5 SER HA 2.200 . 2.800 2.145 1.846 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 5 SER H 1 5 SER QB 4.100 . 6.000 2.476 2.069 3.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
4 1 6 LYS HA 1 7 SER H 3.700 . 5.400 2.819 2.096 3.567 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 7 SER QB 1 8 GLY H 4.500 . 6.000 3.387 2.333 4.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 8 GLY H 1 8 GLY QA 3.000 . 4.100 2.072 1.959 2.228 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 8 GLY H 1 9 VAL H 4.300 . 6.000 3.587 2.154 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 8 GLY QA 1 9 VAL H 2.500 . 3.300 2.336 2.070 2.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 9 VAL H 1 9 VAL HA 2.700 . 3.600 2.758 2.232 2.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 9 VAL H 1 9 VAL HB 3.000 . 4.100 3.259 2.523 3.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 9 VAL H 1 9 VAL MG1 3.000 . 4.100 3.065 1.977 4.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
12 1 9 VAL H 1 9 VAL MG2 4.300 . 6.000 2.951 1.879 4.047 0.121 2 0 "[ . 1 . 2 . 3 .]" 1
13 1 9 VAL H 1 10 PRO HD3 5.500 . 6.000 4.066 2.190 4.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 9 VAL HA 1 9 VAL MG1 3.200 . 4.400 2.643 2.163 3.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 9 VAL HA 1 9 VAL MG2 2.800 . 3.800 2.628 2.321 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 9 VAL HA 1 10 PRO HD3 2.500 . 3.300 2.086 1.706 3.562 0.262 5 0 "[ . 1 . 2 . 3 .]" 1
17 1 10 PRO HB2 1 10 PRO HD2 4.200 . 6.000 3.378 2.934 4.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
18 1 10 PRO HB2 1 10 PRO HD3 3.900 . 5.800 3.924 3.862 4.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 10 PRO HB2 1 11 VAL H 4.300 . 6.000 3.514 1.524 4.363 0.476 5 0 "[ . 1 . 2 . 3 .]" 1
20 1 10 PRO HB2 1 12 THR H 4.500 . 6.000 4.312 2.514 6.021 0.021 34 0 "[ . 1 . 2 . 3 .]" 1
21 1 10 PRO HB3 1 10 PRO HD2 4.000 . 6.000 3.887 3.868 3.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
22 1 10 PRO HD2 1 10 PRO QG 2.600 . 3.500 2.220 2.178 2.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 11 VAL H 1 11 VAL HA 2.900 . 4.000 2.772 2.257 2.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 11 VAL H 1 11 VAL HB 2.900 . 3.900 2.775 2.145 3.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 11 VAL H 1 11 VAL MG1 3.200 . 4.400 3.019 1.792 4.004 0.208 15 0 "[ . 1 . 2 . 3 .]" 1
26 1 11 VAL HA 1 11 VAL HB 2.600 . 3.500 2.704 2.361 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 11 VAL HA 1 11 VAL MG1 3.100 . 4.300 2.509 2.127 3.228 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 11 VAL HA 1 12 THR H 2.300 . 3.000 2.516 2.092 3.247 0.247 18 0 "[ . 1 . 2 . 3 .]" 1
29 1 11 VAL HB 1 12 THR H 4.500 . 6.000 4.147 2.785 4.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 11 VAL MG1 1 12 THR H 3.700 . 5.400 3.878 2.429 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
31 1 12 THR H 1 12 THR HA 2.400 . 3.100 2.267 1.955 2.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
32 1 12 THR H 1 12 THR HB 3.600 . 5.200 3.161 2.461 4.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 12 THR H 1 12 THR MG 3.000 . 4.100 2.713 1.897 3.595 0.003 4 0 "[ . 1 . 2 . 3 .]" 1
34 1 12 THR HA 1 13 GLN HG2 3.900 . 5.800 3.305 2.765 4.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
35 1 12 THR HA 1 13 GLN H 2.700 . 3.600 1.994 1.751 2.389 0.049 12 0 "[ . 1 . 2 . 3 .]" 1
36 1 12 THR HB 1 13 GLN H 4.000 . 6.000 3.574 1.862 4.408 0.138 3 0 "[ . 1 . 2 . 3 .]" 1
37 1 12 THR MG 1 13 GLN H 4.200 . 6.000 3.030 2.018 3.710 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 13 GLN H 1 13 GLN HB2 3.800 . 5.600 2.668 2.095 3.381 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 13 GLN H 1 13 GLN HB2 4.500 . 6.000 2.975 2.153 3.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 13 GLN H 1 13 GLN HB3 3.900 . 5.800 3.442 2.400 4.143 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 13 GLN H 1 13 GLN QG 4.800 . 6.000 3.197 1.964 4.350 0.036 17 0 "[ . 1 . 2 . 3 .]" 1
42 1 13 GLN HA 1 13 GLN HB3 2.500 . 3.300 2.650 2.225 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 13 GLN HA 1 14 THR H 2.500 . 3.300 2.194 1.789 2.970 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 13 GLN HB3 1 14 THR H 4.200 . 6.000 3.402 1.697 4.613 0.303 3 0 "[ . 1 . 2 . 3 .]" 1
45 1 14 THR H 1 14 THR HB 2.900 . 3.900 2.513 2.162 3.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 14 THR H 1 14 THR MG 3.100 . 4.300 2.340 1.876 3.073 0.024 2 0 "[ . 1 . 2 . 3 .]" 1
47 1 14 THR H 1 15 GLN H 3.900 . 5.800 3.497 1.970 4.684 0.030 13 0 "[ . 1 . 2 . 3 .]" 1
48 1 14 THR HA 1 15 GLN H 2.700 . 3.600 2.719 2.122 3.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 14 THR HB 1 15 GLN H 3.800 . 5.600 3.759 1.848 4.629 0.152 22 0 "[ . 1 . 2 . 3 .]" 1
50 1 14 THR MG 1 15 GLN H 4.400 . 6.000 3.640 1.994 4.362 0.006 17 0 "[ . 1 . 2 . 3 .]" 1
51 1 15 GLN H 1 15 GLN HB2 3.800 . 5.600 3.110 2.393 4.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 15 GLN H 1 15 GLN HB3 3.700 . 5.400 3.393 2.494 4.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 15 GLN H 1 15 GLN QG 4.600 . 6.000 3.086 1.985 4.576 0.015 20 0 "[ . 1 . 2 . 3 .]" 1
54 1 16 THR HA 1 17 ALA H 2.400 . 3.100 2.000 1.816 2.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
55 1 16 THR HA 1 17 ALA H 2.400 . 3.100 2.090 1.845 2.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 16 THR HB 1 17 ALA H 3.900 . 5.800 3.728 1.876 4.647 0.124 9 0 "[ . 1 . 2 . 3 .]" 1
57 1 16 THR HB 1 17 ALA MB 3.700 . 5.400 3.613 2.947 4.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 16 THR MG 1 17 ALA H 4.200 . 6.000 3.676 2.151 4.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 17 ALA H 1 17 ALA MB 2.900 . 4.000 2.610 2.010 2.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 17 ALA MB 1 18 GLY HA2 4.200 . 6.000 3.457 3.157 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 18 GLY QA 1 19 ALA H 2.700 . 3.600 2.478 2.079 2.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 19 ALA H 1 19 ALA MB 2.700 . 3.600 2.637 2.045 2.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 19 ALA H 1 20 ASP H 3.300 . 4.700 2.830 1.957 4.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
64 1 19 ALA MB 1 20 ASP H 3.200 . 4.500 3.132 1.809 3.725 0.091 8 0 "[ . 1 . 2 . 3 .]" 1
65 1 19 ALA MB 1 20 ASP HA 3.600 . 5.200 3.149 2.173 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 20 ASP H 1 20 ASP HB2 3.400 . 4.800 2.899 2.300 3.965 . 0 0 "[ . 1 . 2 . 3 .]" 1
67 1 20 ASP H 1 20 ASP HB3 3.200 . 4.500 3.208 2.504 4.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 20 ASP HA 1 21 THR H 2.600 . 3.400 2.623 2.082 3.540 0.140 26 0 "[ . 1 . 2 . 3 .]" 1
69 1 20 ASP HA 1 21 THR MG 4.000 . 6.000 4.989 3.496 6.049 0.049 32 0 "[ . 1 . 2 . 3 .]" 1
70 1 20 ASP HA 1 22 THR H 4.500 . 6.000 4.355 3.363 6.005 0.005 17 0 "[ . 1 . 2 . 3 .]" 1
71 1 20 ASP HB2 1 21 THR H 4.400 . 6.000 3.999 2.387 4.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 20 ASP HB3 1 21 THR H 4.600 . 6.000 3.879 2.578 4.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 21 THR H 1 21 THR HA 2.900 . 4.000 2.733 2.259 2.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 21 THR HA 1 21 THR MG 2.700 . 3.600 2.488 2.088 3.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 21 THR HA 1 22 THR H 2.900 . 4.000 2.562 2.071 2.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 22 THR HB 1 24 GLU H 4.600 . 6.000 3.991 2.537 5.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 22 THR MG 1 24 GLU H 4.100 . 6.000 3.278 1.983 5.380 0.017 33 0 "[ . 1 . 2 . 3 .]" 1
78 1 22 THR MG 1 27 LYS H 3.600 . 5.200 4.592 2.697 5.344 0.144 7 0 "[ . 1 . 2 . 3 .]" 1
79 1 22 THR MG 1 48 ASP H 3.600 . 5.200 3.985 1.987 5.406 0.206 29 0 "[ . 1 . 2 . 3 .]" 1
80 1 23 ALA H 1 23 ALA HA 2.200 . 2.800 2.661 2.255 2.927 0.127 5 0 "[ . 1 . 2 . 3 .]" 1
81 1 23 ALA H 1 23 ALA MB 2.500 . 3.300 2.446 2.043 3.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 23 ALA MB 1 24 GLU H 3.200 . 4.500 2.954 1.821 3.704 0.079 10 0 "[ . 1 . 2 . 3 .]" 1
83 1 23 ALA MB 1 25 LYS H 3.300 . 4.600 3.949 2.363 4.858 0.258 6 0 "[ . 1 . 2 . 3 .]" 1
84 1 24 GLU H 1 24 GLU HA 2.200 . 2.800 2.649 2.235 2.923 0.123 10 0 "[ . 1 . 2 . 3 .]" 1
85 1 24 GLU H 1 24 GLU HB2 2.800 . 3.800 3.047 2.284 4.016 0.216 8 0 "[ . 1 . 2 . 3 .]" 1
86 1 24 GLU H 1 24 GLU QG 2.900 . 3.900 3.138 1.825 4.121 0.221 25 0 "[ . 1 . 2 . 3 .]" 1
87 1 24 GLU H 1 25 LYS H 3.400 . 4.800 3.215 2.126 4.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
88 1 24 GLU HA 1 24 GLU HB2 2.700 . 3.600 2.728 2.337 3.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 24 GLU HA 1 24 GLU HB3 3.000 . 4.100 2.652 2.285 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 24 GLU HA 1 24 GLU QG 2.800 . 3.800 2.680 2.168 3.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 24 GLU HA 1 25 LYS H 2.100 . 2.700 2.565 2.039 2.999 0.299 24 0 "[ . 1 . 2 . 3 .]" 1
92 1 24 GLU HA 1 27 LYS H 3.500 . 5.000 3.460 2.377 5.184 0.184 11 0 "[ . 1 . 2 . 3 .]" 1
93 1 24 GLU HB2 1 25 LYS H 4.000 . 6.000 4.288 3.198 4.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 24 GLU HB2 1 27 LYS H 3.700 . 5.400 4.577 2.700 5.515 0.115 31 0 "[ . 1 . 2 . 3 .]" 1
95 1 24 GLU HB3 1 24 GLU QG 2.000 . 2.500 2.302 2.135 2.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 24 GLU HB3 1 25 LYS H 3.700 . 5.400 4.266 3.491 4.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 24 GLU HB3 1 26 CYS H 3.900 . 5.800 4.744 2.557 6.088 0.288 21 0 "[ . 1 . 2 . 3 .]" 1
98 1 24 GLU HB3 1 27 LYS H 3.300 . 4.700 4.279 2.024 5.447 0.747 21 4 "[ -. 1 . 2+ . * * .]" 1
99 1 24 GLU QG 1 25 LYS H 4.100 . 6.000 4.303 3.092 4.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 24 GLU QG 1 26 CYS H 4.400 . 6.000 4.542 2.403 5.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 24 GLU HG3 1 26 CYS H 3.800 . 5.600 5.194 2.423 6.479 0.879 22 4 "[ . 1 - . 2 +* . 3 * .]" 1
102 1 24 GLU HG3 1 27 LYS H 3.400 . 4.800 4.392 1.882 5.788 0.988 1 8 "[+ . ** * . * 2 -* . 3 * .]" 1
103 1 25 LYS H 1 25 LYS HA 2.700 . 3.600 2.786 2.244 2.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 25 LYS H 1 25 LYS QB 2.400 . 3.100 2.471 2.143 3.313 0.213 25 0 "[ . 1 . 2 . 3 .]" 1
105 1 25 LYS H 1 25 LYS QD 3.700 . 5.400 4.167 2.370 5.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 25 LYS H 1 25 LYS HG2 3.100 . 4.300 3.795 2.214 4.786 0.486 8 0 "[ . 1 . 2 . 3 .]" 1
107 1 25 LYS H 1 25 LYS HG3 3.400 . 4.900 3.682 1.989 4.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 25 LYS H 1 26 CYS H 2.500 . 3.300 2.460 1.690 3.442 0.142 18 0 "[ . 1 . 2 . 3 .]" 1
109 1 25 LYS H 1 26 CYS HB2 5.100 . 6.000 4.819 3.776 6.152 0.152 3 0 "[ . 1 . 2 . 3 .]" 1
110 1 25 LYS H 1 26 CYS HB3 5.800 . 6.000 5.792 4.861 6.309 0.309 24 0 "[ . 1 . 2 . 3 .]" 1
111 1 25 LYS H 1 27 LYS H 3.900 . 5.800 3.730 2.470 4.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 25 LYS HA 1 25 LYS QB 2.400 . 3.100 2.386 2.281 2.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 25 LYS HA 1 25 LYS QD 3.900 . 5.800 3.402 1.959 4.326 0.041 3 0 "[ . 1 . 2 . 3 .]" 1
114 1 25 LYS HA 1 25 LYS HG2 3.200 . 4.500 2.935 2.377 3.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 25 LYS HA 1 25 LYS HG3 3.500 . 5.100 3.083 2.403 3.803 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 25 LYS HA 1 26 CYS H 2.700 . 3.600 3.330 2.582 3.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 25 LYS HA 1 26 CYS HB2 4.600 . 6.000 5.496 3.854 6.567 0.567 3 1 "[ + . 1 . 2 . 3 .]" 1
118 1 25 LYS HA 1 27 LYS H 3.900 . 5.800 4.440 3.455 5.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 25 LYS HA 1 27 LYS HB3 4.900 . 6.000 4.411 3.852 5.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 25 LYS QB 1 25 LYS HG2 2.500 . 3.300 2.328 2.133 2.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 25 LYS QB 1 26 CYS H 2.900 . 3.900 2.922 2.335 3.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 25 LYS QB 1 27 LYS H 3.900 . 5.800 4.416 2.862 5.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 25 LYS HG2 1 26 CYS H 4.300 . 6.000 4.636 3.448 5.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 25 LYS HG3 1 26 CYS H 4.600 . 6.000 4.718 3.544 5.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 26 CYS H 1 26 CYS HA 2.700 . 3.600 2.815 2.251 2.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 26 CYS H 1 26 CYS HB2 2.700 . 3.600 2.752 2.255 3.948 0.348 9 0 "[ . 1 . 2 . 3 .]" 1
127 1 26 CYS H 1 26 CYS HB3 3.300 . 4.600 3.564 2.545 4.042 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 26 CYS H 1 27 LYS H 2.200 . 2.800 2.180 1.485 2.640 0.115 25 0 "[ . 1 . 2 . 3 .]" 1
129 1 26 CYS H 1 27 LYS HA 5.200 . 6.000 4.741 4.130 5.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 26 CYS H 1 27 LYS HB2 4.200 . 6.000 4.351 3.562 5.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 26 CYS H 1 27 LYS HB3 4.900 . 6.000 4.470 3.375 5.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 26 CYS H 1 27 LYS QG 5.100 . 6.000 5.806 5.079 6.213 0.213 8 0 "[ . 1 . 2 . 3 .]" 1
133 1 26 CYS H 1 39 CYS QB 5.400 . 6.000 5.205 4.383 5.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 26 CYS H 1 48 ASP H 4.900 . 6.000 4.933 3.514 6.047 0.047 11 0 "[ . 1 . 2 . 3 .]" 1
135 1 26 CYS HA 1 26 CYS HB2 2.700 . 3.600 2.904 2.389 3.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 26 CYS HA 1 26 CYS HB3 2.700 . 3.600 2.570 2.321 3.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 26 CYS HA 1 27 LYS H 3.200 . 4.500 3.393 2.972 3.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 26 CYS HA 1 27 LYS HB2 4.000 . 6.000 5.694 5.098 6.009 0.009 4 0 "[ . 1 . 2 . 3 .]" 1
139 1 26 CYS HA 1 29 LYS H 4.200 . 6.000 4.591 3.762 6.024 0.024 28 0 "[ . 1 . 2 . 3 .]" 1
140 1 26 CYS HA 1 29 LYS HD2 4.100 . 6.000 3.106 1.944 4.365 0.056 22 0 "[ . 1 . 2 . 3 .]" 1
141 1 26 CYS HA 1 29 LYS QG 3.900 . 5.800 3.310 2.106 5.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 26 CYS HA 1 39 CYS QB 3.800 . 5.600 3.672 2.737 4.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 26 CYS HA 1 46 CYS QB 5.100 . 6.000 4.080 3.463 4.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 26 CYS HB2 1 27 LYS H 2.800 . 3.800 3.242 2.065 4.320 0.520 18 1 "[ . 1 . + 2 . 3 .]" 1
145 1 26 CYS HB2 1 27 LYS HA 4.300 . 6.000 4.554 3.824 5.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 26 CYS HB2 1 39 CYS HA 4.300 . 6.000 4.848 3.649 5.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 26 CYS HB2 1 39 CYS QB 3.000 . 4.100 3.126 1.845 3.937 0.155 3 0 "[ . 1 . 2 . 3 .]" 1
148 1 26 CYS HB2 1 40 LYS H 4.500 . 6.000 5.357 4.322 6.022 0.022 26 0 "[ . 1 . 2 . 3 .]" 1
149 1 26 CYS HB2 1 46 CYS QB 4.200 . 6.000 3.993 2.829 5.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 26 CYS HB2 1 47 LYS H 3.900 . 5.800 4.490 3.371 6.010 0.210 22 0 "[ . 1 . 2 . 3 .]" 1
151 1 26 CYS HB2 1 48 ASP H 3.700 . 5.400 3.859 2.497 6.110 0.710 22 1 "[ . 1 . 2 + . 3 .]" 1
152 1 26 CYS HB3 1 27 LYS H 3.000 . 4.200 3.804 2.636 4.347 0.147 8 0 "[ . 1 . 2 . 3 .]" 1
153 1 26 CYS HB3 1 27 LYS HA 4.300 . 6.000 4.574 3.870 5.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 26 CYS HB3 1 39 CYS QB 3.200 . 4.500 2.511 1.912 3.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 26 CYS HB3 1 40 LYS H 5.000 . 6.000 5.170 4.130 6.055 0.055 8 0 "[ . 1 . 2 . 3 .]" 1
156 1 26 CYS HB3 1 47 LYS H 4.000 . 6.000 4.110 3.349 5.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 26 CYS HB3 1 48 ASP H 4.400 . 6.000 4.750 2.965 6.034 0.034 16 0 "[ . 1 . 2 . 3 .]" 1
158 1 27 LYS H 1 27 LYS HA 2.300 . 3.000 2.762 2.235 2.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 27 LYS H 1 27 LYS HB2 2.500 . 3.300 2.492 2.229 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
160 1 27 LYS H 1 27 LYS HB3 2.400 . 3.100 2.626 2.332 3.452 0.352 28 0 "[ . 1 . 2 . 3 .]" 1
161 1 27 LYS H 1 27 LYS QD 3.900 . 5.800 4.376 3.786 4.965 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 27 LYS H 1 27 LYS QG 4.400 . 6.000 3.983 3.852 4.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 27 LYS H 1 28 GLY H 4.400 . 6.000 4.445 3.462 4.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 27 LYS H 1 29 LYS H 4.600 . 6.000 4.998 4.567 5.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 27 LYS H 1 46 CYS QB 4.300 . 6.000 4.427 3.517 5.116 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 27 LYS HA 1 27 LYS QB 2.500 . 3.300 2.369 2.288 2.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 27 LYS HA 1 27 LYS QD 3.600 . 5.200 3.329 1.934 4.265 0.066 8 0 "[ . 1 . 2 . 3 .]" 1
168 1 27 LYS HA 1 27 LYS QE 5.500 . 6.000 4.368 3.103 5.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 27 LYS HA 1 27 LYS QG 3.100 . 4.300 2.597 2.294 3.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 27 LYS HA 1 28 GLY H 2.100 . 2.600 2.144 2.098 2.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 27 LYS HA 1 29 LYS H 3.500 . 5.000 3.772 3.382 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 27 LYS HA 1 46 CYS H 3.900 . 5.800 3.768 2.680 5.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 27 LYS HA 1 46 CYS QB 3.100 . 4.300 3.212 1.849 4.294 0.051 22 0 "[ . 1 . 2 . 3 .]" 1
174 1 27 LYS HA 1 47 LYS HA 3.700 . 5.400 4.100 2.331 5.504 0.104 17 0 "[ . 1 . 2 . 3 .]" 1
175 1 27 LYS HB2 1 28 GLY H 4.300 . 6.000 4.298 3.951 4.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 27 LYS HB3 1 28 GLY H 4.800 . 6.000 4.215 3.875 4.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 27 LYS QD 1 28 GLY H 4.400 . 6.000 4.041 2.382 5.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 27 LYS HD3 1 28 GLY H 4.200 . 6.000 4.754 2.588 6.112 0.112 14 0 "[ . 1 . 2 . 3 .]" 1
179 1 27 LYS QE 1 28 GLY H 3.900 . 5.800 4.888 3.761 5.867 0.067 14 0 "[ . 1 . 2 . 3 .]" 1
180 1 27 LYS QG 1 28 GLY H 3.800 . 5.600 3.005 2.304 3.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 28 GLY H 1 28 GLY HA2 2.900 . 4.000 2.444 2.274 2.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 28 GLY H 1 28 GLY HA3 2.600 . 3.400 2.880 2.301 2.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 28 GLY H 1 29 LYS H 2.500 . 3.300 2.589 2.167 3.450 0.150 28 0 "[ . 1 . 2 . 3 .]" 1
184 1 28 GLY H 1 46 CYS H 3.900 . 5.800 3.316 2.524 4.118 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 28 GLY H 1 46 CYS QB 3.700 . 5.400 3.360 2.390 4.375 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 28 GLY HA2 1 29 LYS H 3.500 . 5.000 3.243 2.651 3.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
187 1 28 GLY HA3 1 29 LYS H 3.200 . 4.500 3.197 2.801 3.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 29 LYS H 1 29 LYS HA 2.700 . 3.600 2.884 2.803 2.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 29 LYS H 1 29 LYS QB 2.600 . 3.400 2.492 2.191 3.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 29 LYS H 1 29 LYS HD2 3.600 . 5.200 4.542 2.417 5.398 0.198 21 0 "[ . 1 . 2 . 3 .]" 1
191 1 29 LYS H 1 29 LYS HD3 3.800 . 5.600 4.614 2.848 5.815 0.215 12 0 "[ . 1 . 2 . 3 .]" 1
192 1 29 LYS H 1 29 LYS QE 4.500 . 6.000 4.477 3.398 5.157 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 29 LYS H 1 29 LYS QG 2.800 . 3.800 2.499 1.847 3.901 0.101 12 0 "[ . 1 . 2 . 3 .]" 1
194 1 29 LYS H 1 30 GLY H 3.800 . 5.600 4.144 2.102 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 29 LYS H 1 34 CYS HA 5.300 . 6.000 5.828 5.363 6.272 0.272 12 0 "[ . 1 . 2 . 3 .]" 1
196 1 29 LYS H 1 34 CYS QB 5.300 . 6.000 4.637 3.778 5.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 29 LYS H 1 46 CYS H 4.100 . 6.000 4.131 2.935 4.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
198 1 29 LYS H 1 46 CYS HA 5.500 . 6.000 5.839 5.083 6.164 0.164 32 0 "[ . 1 . 2 . 3 .]" 1
199 1 29 LYS H 1 46 CYS QB 2.700 . 3.600 3.005 2.381 3.622 0.022 26 0 "[ . 1 . 2 . 3 .]" 1
200 1 29 LYS HA 1 29 LYS QB 2.900 . 3.900 2.345 2.156 2.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 29 LYS HA 1 29 LYS HD2 3.700 . 5.500 4.416 1.981 5.527 0.027 24 0 "[ . 1 . 2 . 3 .]" 1
202 1 29 LYS HA 1 29 LYS QG 3.100 . 4.300 2.598 2.264 3.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 29 LYS QB 1 29 LYS HD2 2.900 . 3.900 2.769 2.174 3.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 29 LYS QB 1 29 LYS HD3 3.400 . 4.900 2.720 2.181 3.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 29 LYS QB 1 29 LYS QE 4.200 . 6.000 2.367 1.795 3.659 0.205 34 0 "[ . 1 . 2 . 3 .]" 1
206 1 29 LYS QB 1 29 LYS QG 2.300 . 3.000 2.070 1.995 2.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 29 LYS QB 1 30 GLY H 3.600 . 5.200 2.771 1.886 3.712 0.114 28 0 "[ . 1 . 2 . 3 .]" 1
208 1 29 LYS QB 1 33 ASP H 5.200 . 6.000 4.484 3.836 5.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 29 LYS QB 1 34 CYS H 3.800 . 5.600 3.222 2.335 4.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 29 LYS QB 1 34 CYS QB 4.400 . 6.000 2.957 1.922 4.279 0.078 7 0 "[ . 1 . 2 . 3 .]" 1
211 1 29 LYS QB 1 41 TRP HZ3 4.800 . 6.000 3.999 3.212 5.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 29 LYS QB 1 46 CYS QB 3.500 . 5.000 3.044 2.100 4.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 29 LYS HB2 1 46 CYS QB 3.500 . 5.000 3.235 2.140 5.038 0.038 14 0 "[ . 1 . 2 . 3 .]" 1
214 1 29 LYS HD2 1 30 GLY H 4.600 . 6.000 5.359 3.600 6.241 0.241 18 0 "[ . 1 . 2 . 3 .]" 1
215 1 29 LYS HD2 1 33 ASP HB3 4.300 . 6.000 4.161 1.708 6.135 0.292 33 0 "[ . 1 . 2 . 3 .]" 1
216 1 29 LYS HD2 1 34 CYS H 4.600 . 6.000 5.174 3.500 6.422 0.422 9 0 "[ . 1 . 2 . 3 .]" 1
217 1 29 LYS HD3 1 30 GLY H 4.300 . 6.000 5.368 4.245 6.081 0.081 7 0 "[ . 1 . 2 . 3 .]" 1
218 1 29 LYS HD3 1 34 CYS H 3.800 . 5.600 4.199 2.964 4.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 29 LYS HD3 1 34 CYS H 4.200 . 6.000 4.174 2.962 4.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 29 LYS HD3 1 41 TRP HZ3 5.100 . 6.000 5.008 4.350 6.026 0.026 25 0 "[ . 1 . 2 . 3 .]" 1
221 1 29 LYS HD3 1 33 ASP HB3 4.200 . 6.000 3.919 2.235 5.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 29 LYS QE 1 34 CYS H 4.500 . 6.000 4.410 3.248 5.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 29 LYS QE 1 35 LYS H 4.400 . 6.000 4.329 2.846 5.807 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 29 LYS QG 1 30 GLY H 3.200 . 4.500 3.810 1.986 4.557 0.057 25 0 "[ . 1 . 2 . 3 .]" 1
225 1 29 LYS QG 1 33 ASP HB3 3.900 . 5.800 3.568 1.917 4.888 0.083 12 0 "[ . 1 . 2 . 3 .]" 1
226 1 29 LYS QG 1 34 CYS H 3.500 . 5.000 4.587 2.404 5.162 0.162 16 0 "[ . 1 . 2 . 3 .]" 1
227 1 29 LYS QG 1 41 TRP HZ3 4.900 . 6.000 5.187 2.995 6.033 0.033 5 0 "[ . 1 . 2 . 3 .]" 1
228 1 29 LYS QG 1 46 CYS QB 3.800 . 5.600 3.682 2.001 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 30 GLY H 1 30 GLY HA2 2.400 . 3.100 2.800 2.373 2.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 30 GLY H 1 30 GLY HA3 2.000 . 2.500 2.428 2.288 2.957 0.457 24 0 "[ . 1 . 2 . 3 .]" 1
231 1 30 GLY H 1 31 GLU H 4.400 . 6.000 4.502 4.044 4.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 30 GLY H 1 32 LYS H 4.800 . 6.000 5.300 4.646 5.932 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 30 GLY H 1 33 ASP H 3.900 . 5.800 4.256 3.236 5.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 30 GLY H 1 33 ASP HB2 4.200 . 6.000 3.294 1.877 5.613 0.023 15 0 "[ . 1 . 2 . 3 .]" 1
235 1 30 GLY H 1 33 ASP HB3 3.000 . 4.100 3.492 2.118 4.951 0.851 14 2 "[ . 1 +. 2- . 3 .]" 1
236 1 30 GLY H 1 34 CYS H 4.300 . 6.000 4.084 3.252 4.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
237 1 30 GLY HA2 1 31 GLU H 2.300 . 3.000 2.227 2.029 2.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 30 GLY HA2 1 31 GLU HA 4.400 . 6.000 3.970 3.232 4.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 30 GLY HA2 1 31 GLU HB2 5.400 . 6.000 4.649 4.359 5.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 30 GLY HA2 1 32 LYS H 4.600 . 6.000 4.483 4.154 4.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
241 1 30 GLY HA2 1 33 ASP H 4.900 . 6.000 4.845 4.495 5.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 30 GLY HA2 1 34 CYS H 4.500 . 6.000 4.782 4.526 5.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 30 GLY HA2 1 41 TRP HH2 3.500 . 5.000 2.599 2.107 3.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 30 GLY HA2 1 41 TRP HZ2 5.000 . 6.000 4.516 4.026 4.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 30 GLY HA2 1 41 TRP HZ3 3.600 . 5.200 3.714 2.936 4.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 30 GLY HA3 1 31 GLU H 2.400 . 3.100 2.739 2.397 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 30 GLY HA3 1 34 CYS H 3.800 . 5.600 4.428 4.199 4.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 30 GLY HA3 1 41 TRP HH2 4.300 . 6.000 4.197 3.694 4.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 30 GLY HA3 1 41 TRP HZ2 5.300 . 6.000 5.837 5.223 6.150 0.150 13 0 "[ . 1 . 2 . 3 .]" 1
250 1 30 GLY HA3 1 41 TRP HZ3 3.600 . 5.200 4.980 4.425 5.384 0.184 22 0 "[ . 1 . 2 . 3 .]" 1
251 1 31 GLU H 1 31 GLU HA 2.500 . 3.300 2.783 2.674 2.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 31 GLU H 1 31 GLU HB2 2.200 . 2.800 2.519 2.253 3.497 0.697 25 1 "[ . 1 . 2 + 3 .]" 1
253 1 31 GLU H 1 31 GLU HB3 2.400 . 3.100 2.542 2.323 2.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 31 GLU H 1 31 GLU QG 4.400 . 6.000 3.930 2.782 4.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 31 GLU H 1 32 LYS H 2.600 . 3.500 2.785 2.585 3.116 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 31 GLU H 1 32 LYS QB 5.000 . 6.000 4.872 4.596 5.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 31 GLU H 1 33 ASP H 4.100 . 6.000 4.279 3.854 4.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 31 GLU H 1 34 CYS H 3.800 . 5.600 4.623 4.496 4.762 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 31 GLU H 1 34 CYS QB 4.700 . 6.000 4.501 3.779 4.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 31 GLU H 1 41 TRP HH2 2.900 . 4.000 2.976 2.481 3.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 31 GLU H 1 41 TRP HZ2 3.400 . 4.900 3.626 3.141 4.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 31 GLU H 1 41 TRP HZ3 3.300 . 4.600 4.275 3.893 4.609 0.009 25 0 "[ . 1 . 2 . 3 .]" 1
263 1 31 GLU HA 1 31 GLU HB2 2.400 . 3.100 2.449 2.352 2.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 31 GLU HA 1 31 GLU QG 3.300 . 4.600 2.505 2.306 3.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 31 GLU HA 1 32 LYS H 3.300 . 4.700 3.536 3.502 3.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 31 GLU HA 1 33 ASP H 3.900 . 5.800 4.207 3.394 4.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 31 GLU HA 1 34 CYS H 2.700 . 3.600 3.198 3.028 3.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 31 GLU HA 1 34 CYS QB 3.200 . 4.000 2.691 2.165 3.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 31 GLU HA 1 41 TRP HB2 3.700 . 5.400 4.697 3.836 5.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 31 GLU HA 1 41 TRP HE1 4.400 . 6.000 4.956 3.986 5.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 31 GLU HA 1 41 TRP HZ2 4.100 . 6.000 4.029 3.510 4.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 31 GLU HA 1 41 TRP HZ3 3.000 . 4.100 3.472 2.856 4.082 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 31 GLU HA 1 46 CYS QB 5.100 . 6.000 4.719 4.130 5.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 31 GLU HB2 1 31 GLU QG 2.200 . 2.800 2.285 2.125 2.394 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 31 GLU HB2 1 32 LYS H 3.800 . 5.600 3.895 3.218 4.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 31 GLU HB2 1 32 LYS HA 5.300 . 6.000 5.595 4.278 5.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 31 GLU HB2 1 33 ASP H 5.500 . 6.000 5.726 5.325 6.017 0.017 6 0 "[ . 1 . 2 . 3 .]" 1
278 1 31 GLU HB2 1 34 CYS H 4.100 . 6.000 4.842 4.374 5.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 31 GLU HB2 1 34 CYS QB 5.200 . 6.000 4.805 4.340 5.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 31 GLU HB2 1 41 TRP HB2 4.500 . 6.000 5.840 5.061 6.085 0.085 21 0 "[ . 1 . 2 . 3 .]" 1
281 1 31 GLU HB2 1 41 TRP HD1 3.400 . 6.000 5.229 4.188 5.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 31 GLU HB2 1 41 TRP HD1 3.700 . 5.400 3.601 3.157 4.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 31 GLU HB2 1 41 TRP HE1 3.000 . 4.100 3.636 3.098 4.135 0.035 11 0 "[ . 1 . 2 . 3 .]" 1
284 1 31 GLU HB2 1 41 TRP HH2 3.600 . 5.200 3.718 3.173 5.473 0.273 25 0 "[ . 1 . 2 . 3 .]" 1
285 1 31 GLU HB2 1 41 TRP HZ2 2.800 . 3.700 2.758 2.247 4.212 0.512 25 1 "[ . 1 . 2 + 3 .]" 1
286 1 31 GLU HB2 1 41 TRP HZ3 3.900 . 5.800 4.845 4.185 6.002 0.202 25 0 "[ . 1 . 2 . 3 .]" 1
287 1 31 GLU HB3 1 32 LYS H 2.400 . 3.100 2.695 2.382 3.827 0.727 25 1 "[ . 1 . 2 + 3 .]" 1
288 1 31 GLU HB3 1 33 ASP H 5.200 . 6.000 5.001 4.699 5.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 31 GLU HB3 1 34 CYS H 5.200 . 6.000 5.284 4.953 5.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 31 GLU HB3 1 41 TRP HD1 4.400 . 6.000 4.711 3.829 5.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 31 GLU HB3 1 41 TRP HE1 5.400 . 6.000 5.131 2.966 5.763 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 31 GLU HB3 1 41 TRP HZ2 5.400 . 6.000 4.248 2.656 4.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 31 GLU HB3 1 41 TRP HZ3 5.300 . 6.000 5.907 5.213 6.083 0.083 15 0 "[ . 1 . 2 . 3 .]" 1
294 1 31 GLU QG 1 41 TRP HD1 3.800 . 5.600 4.196 3.379 5.652 0.052 25 0 "[ . 1 . 2 . 3 .]" 1
295 1 31 GLU QG 1 41 TRP HE1 4.200 . 6.000 3.758 3.003 4.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 31 GLU HG2 1 41 TRP HZ2 4.600 . 6.000 5.364 4.142 6.365 0.365 5 0 "[ . 1 . 2 . 3 .]" 1
297 1 31 GLU HG2 1 42 GLU H 4.200 . 6.000 4.920 2.782 5.990 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 32 LYS H 1 32 LYS HA 2.500 . 3.300 2.850 2.788 2.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 32 LYS H 1 32 LYS QB 2.400 . 3.100 2.453 2.098 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 32 LYS H 1 32 LYS QD 4.800 . 6.000 3.503 2.041 4.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 32 LYS H 1 32 LYS HG2 3.300 . 4.700 3.005 2.058 4.470 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 32 LYS H 1 32 LYS HG3 2.800 . 3.800 3.081 2.043 3.995 0.195 9 0 "[ . 1 . 2 . 3 .]" 1
303 1 32 LYS H 1 33 ASP H 2.300 . 3.000 2.706 2.392 3.114 0.114 13 0 "[ . 1 . 2 . 3 .]" 1
304 1 32 LYS H 1 33 ASP HB3 4.600 . 6.000 5.502 4.427 6.292 0.292 22 0 "[ . 1 . 2 . 3 .]" 1
305 1 32 LYS H 1 34 CYS H 3.600 . 5.200 4.128 3.860 4.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 32 LYS HA 1 32 LYS QB 2.500 . 3.300 2.334 2.171 2.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 32 LYS HA 1 32 LYS HG2 3.400 . 4.800 3.131 2.537 3.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 32 LYS HA 1 32 LYS HG3 3.700 . 5.400 3.268 2.346 3.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 32 LYS HA 1 33 ASP H 3.100 . 4.300 3.348 2.729 3.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 32 LYS HA 1 34 CYS H 3.600 . 5.200 4.611 4.144 5.126 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 32 LYS QB 1 32 LYS HG2 2.500 . 3.300 2.311 2.145 2.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 32 LYS QB 1 33 ASP H 2.900 . 4.000 3.052 2.368 4.028 0.028 4 0 "[ . 1 . 2 . 3 .]" 1
313 1 32 LYS HG2 1 33 ASP H 4.400 . 6.000 4.435 2.350 5.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 32 LYS HG3 1 33 ASP H 3.800 . 5.600 4.293 2.126 5.929 0.329 18 0 "[ . 1 . 2 . 3 .]" 1
315 1 33 ASP H 1 33 ASP HB2 3.400 . 4.900 2.638 2.153 3.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 33 ASP H 1 33 ASP HB3 2.300 . 3.000 3.221 2.515 3.618 0.618 22 17 "[* * ** * 1 ** *2*+- . ***** *]" 1
317 1 33 ASP H 1 34 CYS H 2.200 . 2.800 2.389 1.771 2.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 33 ASP H 1 34 CYS HA 5.000 . 6.000 4.994 4.372 5.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 33 ASP H 1 34 CYS QB 4.600 . 6.000 4.101 3.379 4.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 33 ASP HB2 1 34 CYS H 3.900 . 5.800 3.138 2.264 3.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 33 ASP HB3 1 34 CYS H 3.100 . 4.300 3.008 2.304 3.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 34 CYS H 1 34 CYS HA 2.700 . 3.600 2.816 2.767 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 34 CYS H 1 34 CYS QB 2.200 . 2.800 2.210 2.109 2.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 34 CYS H 1 35 LYS H 4.300 . 6.000 4.359 3.524 4.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 34 CYS H 1 35 LYS HA 4.500 . 6.000 5.449 4.944 6.092 0.092 33 0 "[ . 1 . 2 . 3 .]" 1
326 1 34 CYS H 1 35 LYS HD2 5.000 . 6.000 5.348 4.291 6.042 0.042 34 0 "[ . 1 . 2 . 3 .]" 1
327 1 34 CYS HA 1 34 CYS QB 2.800 . 3.800 2.414 2.311 2.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 34 CYS HA 1 35 LYS H 2.100 . 2.700 2.223 2.064 2.832 0.132 33 0 "[ . 1 . 2 . 3 .]" 1
329 1 34 CYS HA 1 39 CYS QB 3.200 . 4.500 3.942 2.730 4.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 34 CYS HA 1 46 CYS QB 4.600 . 6.000 4.090 3.478 5.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 34 CYS QB 1 35 LYS H 4.200 . 6.000 3.791 2.567 4.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 34 CYS QB 1 35 LYS H 4.000 . 6.000 3.358 2.522 3.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 34 CYS QB 1 41 TRP HZ2 5.300 . 6.000 5.508 4.957 5.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 34 CYS QB 1 41 TRP HZ3 4.000 . 4.500 2.536 1.880 3.098 0.120 26 0 "[ . 1 . 2 . 3 .]" 1
335 1 34 CYS QB 1 46 CYS H 6.000 . 6.000 4.642 4.269 5.116 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 34 CYS QB 1 46 CYS QB 3.900 . 5.800 2.373 1.947 3.034 0.053 26 0 "[ . 1 . 2 . 3 .]" 1
337 1 35 LYS H 1 35 LYS HA 2.600 . 3.500 2.870 2.243 2.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 35 LYS H 1 35 LYS QB 3.100 . 4.300 2.585 2.085 3.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 35 LYS H 1 35 LYS QD 3.100 . 4.300 3.777 2.387 4.417 0.117 11 0 "[ . 1 . 2 . 3 .]" 1
340 1 35 LYS H 1 35 LYS QG 2.900 . 3.900 2.897 1.867 4.200 0.300 18 0 "[ . 1 . 2 . 3 .]" 1
341 1 35 LYS H 1 36 SER H 4.700 . 6.000 4.196 2.115 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 35 LYS H 1 39 CYS QB 2.900 . 3.900 3.785 3.100 3.969 0.069 9 0 "[ . 1 . 2 . 3 .]" 1
343 1 35 LYS HA 1 35 LYS QB 2.900 . 3.900 2.363 2.144 2.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 35 LYS HA 1 35 LYS QD 3.400 . 4.900 3.249 1.882 4.537 0.018 8 0 "[ . 1 . 2 . 3 .]" 1
345 1 35 LYS HA 1 35 LYS QG 3.000 . 4.100 2.709 2.245 3.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 35 LYS HA 1 36 SER H 1.900 . 2.400 2.228 2.069 2.698 0.298 15 0 "[ . 1 . 2 . 3 .]" 1
347 1 35 LYS HA 1 36 SER QB 4.500 . 6.000 4.366 3.759 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 35 LYS QB 1 36 SER H 3.200 . 4.400 3.187 2.075 3.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 35 LYS QB 1 38 ASP H 4.400 . 6.000 3.578 2.156 6.414 0.414 24 0 "[ . 1 . 2 . 3 .]" 1
350 1 35 LYS HD3 1 36 SER H 3.900 . 5.800 5.397 2.987 6.664 0.864 30 5 "[ . 1 * 2 - . + * *.]" 1
351 1 35 LYS HG3 1 36 SER H 4.600 . 6.000 4.723 2.789 5.920 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 36 SER H 1 36 SER HA 2.600 . 3.500 2.738 2.255 2.871 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 36 SER H 1 36 SER QB 2.400 . 3.100 2.571 2.184 3.209 0.109 15 0 "[ . 1 . 2 . 3 .]" 1
354 1 36 SER H 1 37 PRO HD2 4.200 . 6.000 2.875 2.005 4.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 36 SER H 1 38 ASP H 4.500 . 6.000 4.216 3.861 5.100 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 36 SER H 1 39 CYS H 4.000 . 6.000 4.500 3.605 5.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 36 SER HA 1 36 SER QB 2.300 . 3.000 2.339 2.247 2.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 36 SER HA 1 39 CYS H 2.500 . 3.300 3.528 2.656 4.833 1.533 31 5 "[ . * 1- . 2 *. 3+ * .]" 1
359 1 36 SER QB 1 37 PRO HA 2.300 . 6.000 4.233 3.914 5.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 36 SER QB 1 37 PRO QB 4.300 . 6.000 4.602 4.239 5.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 36 SER QB 1 38 ASP H 4.100 . 6.000 4.262 2.433 5.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 36 SER QB 1 39 CYS H 3.600 . 5.200 4.405 1.804 5.024 0.196 9 0 "[ . 1 . 2 . 3 .]" 1
363 1 37 PRO HA 1 37 PRO QB 2.300 . 3.000 2.189 2.172 2.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 37 PRO HA 1 37 PRO HD2 4.100 . 6.000 4.036 3.901 4.098 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 37 PRO HA 1 37 PRO HD3 3.900 . 5.800 3.609 3.367 4.009 . 0 0 "[ . 1 . 2 . 3 .]" 1
366 1 37 PRO HA 1 37 PRO HG3 4.200 . 6.000 3.756 2.998 4.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 1 37 PRO QB 1 37 PRO HD2 3.700 . 5.400 3.343 2.844 3.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 37 PRO QB 1 37 PRO HD3 3.400 . 4.800 3.081 2.833 3.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
369 1 37 PRO QB 1 38 ASP H 3.300 . 4.700 3.147 2.525 3.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
370 1 37 PRO HD2 1 37 PRO HG2 2.800 . 3.800 2.309 2.265 2.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
371 1 37 PRO HD2 1 37 PRO HG3 2.800 . 3.800 2.784 2.671 3.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 37 PRO HD2 1 38 ASP H 2.400 . 3.100 2.781 1.688 3.279 0.179 33 0 "[ . 1 . 2 . 3 .]" 1
373 1 37 PRO HD3 1 37 PRO HG3 2.500 . 3.300 2.310 2.274 2.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 37 PRO HD3 1 38 ASP H 3.700 . 5.400 3.902 3.296 4.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 37 PRO HG2 1 38 ASP H 3.000 . 4.100 3.095 2.313 4.105 0.005 8 0 "[ . 1 . 2 . 3 .]" 1
376 1 37 PRO HG3 1 38 ASP H 4.000 . 6.000 4.253 3.857 5.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 38 ASP H 1 38 ASP HA 2.500 . 3.300 2.881 2.837 2.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 38 ASP H 1 38 ASP HB2 2.600 . 3.400 2.640 2.200 3.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 38 ASP H 1 38 ASP HB3 2.500 . 3.300 2.820 2.334 3.618 0.318 24 0 "[ . 1 . 2 . 3 .]" 1
380 1 38 ASP H 1 39 CYS H 2.300 . 3.000 2.377 1.598 2.657 0.002 9 0 "[ . 1 . 2 . 3 .]" 1
381 1 38 ASP H 1 39 CYS HA 5.300 . 6.000 4.929 4.189 5.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 38 ASP H 1 39 CYS QB 5.300 . 6.000 4.671 3.235 5.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 38 ASP HA 1 38 ASP HB2 2.500 . 3.300 2.607 2.393 3.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 38 ASP HA 1 39 CYS H 3.700 . 5.400 3.512 2.751 3.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 1 38 ASP HB2 1 39 CYS H 3.500 . 5.000 3.616 2.419 4.486 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 38 ASP HB3 1 39 CYS H 3.000 . 4.100 2.815 2.265 4.138 0.038 15 0 "[ . 1 . 2 . 3 .]" 1
387 1 39 CYS H 1 39 CYS QB 2.700 . 3.600 2.710 2.418 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 39 CYS H 1 40 LYS H 4.300 . 6.000 4.361 4.111 4.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 39 CYS HA 1 39 CYS QB 2.500 . 3.300 2.362 2.271 2.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
390 1 39 CYS HA 1 40 LYS H 2.200 . 2.800 2.303 2.143 2.936 0.136 2 0 "[ . 1 . 2 . 3 .]" 1
391 1 39 CYS HA 1 48 ASP H 5.000 . 6.000 5.100 3.473 6.123 0.123 22 0 "[ . 1 . 2 . 3 .]" 1
392 1 39 CYS QB 1 40 LYS H 2.400 . 3.100 2.786 1.685 3.084 0.315 16 0 "[ . 1 . 2 . 3 .]" 1
393 1 39 CYS QB 1 40 LYS HA 4.400 . 6.000 4.004 3.649 4.170 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 39 CYS QB 1 47 LYS H 3.200 . 4.500 3.244 2.444 4.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 39 CYS QB 1 48 ASP HA 4.000 . 6.000 3.955 2.837 5.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 40 LYS H 1 40 LYS HA 2.700 . 3.600 2.899 2.810 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 40 LYS H 1 40 LYS QB 3.200 . 4.500 2.496 2.226 3.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 40 LYS H 1 40 LYS QD 3.400 . 4.900 4.117 2.211 4.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 40 LYS H 1 40 LYS QG 3.200 . 4.500 3.245 1.868 4.098 0.032 29 0 "[ . 1 . 2 . 3 .]" 1
400 1 40 LYS H 1 41 TRP H 4.400 . 6.000 4.476 4.147 4.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 40 LYS H 1 47 LYS H 2.800 . 3.800 3.349 2.585 3.865 0.065 19 0 "[ . 1 . 2 . 3 .]" 1
402 1 40 LYS H 1 47 LYS HA 4.300 . 6.000 4.893 4.169 5.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
403 1 40 LYS H 1 47 LYS HB2 5.200 . 6.000 5.240 2.983 6.035 0.035 11 0 "[ . 1 . 2 . 3 .]" 1
404 1 40 LYS H 1 47 LYS HB3 4.300 . 6.000 5.784 4.411 6.160 0.160 7 0 "[ . 1 . 2 . 3 .]" 1
405 1 40 LYS H 1 47 LYS HG2 4.400 . 6.000 4.956 3.461 6.966 0.966 20 2 "[ . 1 . + . - 3 .]" 1
406 1 40 LYS H 1 48 ASP H 4.700 . 6.000 4.807 3.656 5.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 40 LYS H 1 48 ASP HA 3.400 . 4.900 3.440 1.887 4.640 0.013 17 0 "[ . 1 . 2 . 3 .]" 1
408 1 40 LYS HA 1 40 LYS QD 3.200 . 4.500 3.191 1.982 4.510 0.010 29 0 "[ . 1 . 2 . 3 .]" 1
409 1 40 LYS HA 1 40 LYS QG 3.200 . 4.500 2.760 2.343 3.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 40 LYS HA 1 41 TRP H 2.000 . 2.500 2.185 2.115 2.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 40 LYS HA 1 41 TRP HB2 4.900 . 6.000 4.397 4.107 4.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 40 LYS HA 1 47 LYS H 4.600 . 6.000 4.795 4.611 5.100 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 40 LYS QB 1 47 LYS H 3.900 . 5.800 3.903 3.171 5.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 40 LYS QD 1 41 TRP H 3.200 . 4.400 3.900 2.239 4.577 0.177 16 0 "[ . 1 . 2 . 3 .]" 1
415 1 40 LYS QG 1 41 TRP H 4.500 . 6.000 3.537 2.407 4.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 41 TRP H 1 41 TRP HA 2.700 . 3.600 2.925 2.884 2.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
417 1 41 TRP H 1 41 TRP HB2 2.600 . 3.400 2.691 2.469 2.965 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 41 TRP H 1 41 TRP HB3 2.600 . 3.400 2.624 2.448 2.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 41 TRP H 1 41 TRP HD1 4.500 . 6.000 5.080 4.870 5.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 41 TRP H 1 41 TRP HE3 4.400 . 6.000 4.683 4.348 5.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 1 41 TRP H 1 46 CYS HA 4.500 . 6.000 4.913 4.604 5.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 1 41 TRP H 1 47 LYS H 4.700 . 6.000 4.955 4.645 5.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 41 TRP HA 1 41 TRP HB2 2.600 . 3.400 2.538 2.469 2.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 41 TRP HA 1 41 TRP HB3 2.800 . 3.800 3.025 3.005 3.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 41 TRP HA 1 41 TRP HD1 3.800 . 5.600 4.402 4.258 4.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 41 TRP HA 1 41 TRP HE1 5.100 . 6.000 5.541 5.405 5.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 41 TRP HA 1 41 TRP HE3 2.400 . 3.100 2.601 2.358 2.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 41 TRP HA 1 41 TRP HZ3 4.500 . 6.000 4.739 4.527 5.069 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 41 TRP HA 1 42 GLU H 2.100 . 2.600 2.171 2.135 2.229 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 41 TRP HA 1 45 THR H 4.600 . 6.000 4.340 3.935 5.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 1 41 TRP HA 1 46 CYS H 4.700 . 6.000 4.886 4.534 5.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 41 TRP HA 1 47 LYS H 3.400 . 4.800 3.573 3.041 4.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 41 TRP HB2 1 41 TRP HD1 3.200 . 4.500 3.687 3.621 3.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 41 TRP HB2 1 41 TRP HE1 5.200 . 6.000 5.185 5.154 5.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 41 TRP HB2 1 41 TRP HE3 2.500 . 3.300 2.801 2.659 2.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
436 1 41 TRP HB2 1 41 TRP HZ3 4.600 . 6.000 5.125 5.010 5.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 1 41 TRP HB2 1 42 GLU H 4.400 . 6.000 4.395 4.276 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 41 TRP HB3 1 41 TRP HD1 2.200 . 2.800 2.570 2.541 2.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
439 1 41 TRP HB3 1 42 GLU H 4.100 . 6.000 4.180 3.952 4.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 41 TRP HD1 1 42 GLU H 3.900 . 5.800 4.621 4.201 5.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 41 TRP HD1 1 42 GLU HA 3.600 . 5.200 4.683 3.801 5.292 0.092 13 0 "[ . 1 . 2 . 3 .]" 1
442 1 41 TRP HD1 1 42 GLU QB 5.000 . 6.000 5.786 5.126 6.071 0.071 24 0 "[ . 1 . 2 . 3 .]" 1
443 1 41 TRP HD1 1 45 THR H 4.800 . 6.000 5.211 4.309 6.104 0.104 12 0 "[ . 1 . 2 . 3 .]" 1
444 1 41 TRP HE1 1 44 GLY H 3.700 . 5.400 3.949 2.207 5.415 0.015 31 0 "[ . 1 . 2 . 3 .]" 1
445 1 41 TRP HE1 1 44 GLY HA2 3.000 . 4.100 3.070 2.314 3.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 41 TRP HE1 1 44 GLY HA3 4.900 . 6.000 4.621 3.863 5.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 41 TRP HE1 1 45 THR H 4.400 . 6.000 4.522 3.575 5.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
448 1 41 TRP HE3 1 42 GLU H 4.000 . 6.000 4.202 3.742 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
449 1 41 TRP HE3 1 45 THR H 4.300 . 6.000 4.835 4.293 5.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 41 TRP HE3 1 45 THR HA 4.300 . 6.000 4.864 4.458 5.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 41 TRP HE3 1 45 THR MG 5.000 . 6.000 5.483 5.117 6.186 0.186 2 0 "[ . 1 . 2 . 3 .]" 1
452 1 41 TRP HE3 1 46 CYS H 3.600 . 5.200 3.950 3.593 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 41 TRP HE3 1 46 CYS HA 2.400 . 3.100 2.525 2.255 2.920 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 41 TRP HE3 1 46 CYS QB 2.400 . 3.100 2.482 1.817 3.146 0.183 16 0 "[ . 1 . 2 . 3 .]" 1
455 1 41 TRP HE3 1 47 LYS H 4.500 . 6.000 4.427 3.502 4.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 41 TRP HH2 1 44 GLY HA2 4.100 . 6.000 4.329 3.632 5.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
457 1 41 TRP HH2 1 44 GLY HA3 5.200 . 6.000 5.429 4.835 6.033 0.033 11 0 "[ . 1 . 2 . 3 .]" 1
458 1 41 TRP HH2 1 45 THR H 4.500 . 6.000 4.797 4.022 5.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 41 TRP HH2 1 45 THR HA 3.100 . 4.300 3.693 2.947 4.336 0.036 35 0 "[ . 1 . 2 . 3 .]" 1
460 1 41 TRP HH2 1 46 CYS H 3.800 . 5.600 4.202 3.683 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 41 TRP HH2 1 46 CYS QB 4.300 . 6.000 4.141 3.695 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 41 TRP HZ2 1 44 GLY HA2 2.700 . 3.600 2.666 2.017 3.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 41 TRP HZ2 1 44 GLY HA3 4.500 . 6.000 4.096 3.662 4.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 41 TRP HZ2 1 45 THR H 4.300 . 6.000 4.327 3.340 5.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
465 1 41 TRP HZ2 1 45 THR HA 3.700 . 5.400 4.667 3.821 5.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 41 TRP HZ3 1 42 GLU H 5.400 . 6.000 5.693 5.168 6.014 0.014 1 0 "[ . 1 . 2 . 3 .]" 1
467 1 41 TRP HZ3 1 45 THR H 4.600 . 6.000 5.030 4.389 5.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 41 TRP HZ3 1 45 THR HA 3.200 . 4.500 3.814 3.341 4.516 0.016 35 0 "[ . 1 . 2 . 3 .]" 1
469 1 41 TRP HZ3 1 45 THR MG 5.200 . 6.000 5.335 4.572 6.013 0.013 23 0 "[ . 1 . 2 . 3 .]" 1
470 1 41 TRP HZ3 1 46 CYS H 2.800 . 3.800 2.994 2.575 3.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 41 TRP HZ3 1 46 CYS HA 3.700 . 5.500 3.629 2.663 4.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 1 41 TRP HZ3 1 46 CYS QB 2.000 . 2.500 1.933 1.506 2.642 0.494 17 0 "[ . 1 . 2 . 3 .]" 1
473 1 42 GLU H 1 42 GLU HA 2.600 . 3.400 2.905 2.844 2.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 42 GLU H 1 42 GLU QB 2.800 . 3.800 2.569 2.243 3.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 42 GLU H 1 42 GLU HG3 4.500 . 6.000 4.369 3.036 5.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 42 GLU H 1 43 GLY QA 5.000 . 6.000 4.730 4.309 5.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 1 42 GLU H 1 44 GLY H 4.300 . 6.000 4.156 3.531 4.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 42 GLU H 1 45 THR H 2.800 . 3.800 3.030 2.583 3.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 42 GLU H 1 45 THR HB 4.900 . 6.000 4.959 3.423 5.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 42 GLU H 1 45 THR MG 3.700 . 5.400 3.833 2.712 5.429 0.029 2 0 "[ . 1 . 2 . 3 .]" 1
481 1 42 GLU H 1 46 CYS HA 3.400 . 4.800 3.492 2.892 3.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 42 GLU H 1 46 CYS QB 5.300 . 6.000 5.226 4.586 5.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 42 GLU H 1 47 LYS H 4.100 . 6.000 4.310 3.571 4.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 42 GLU H 1 47 LYS QD 4.500 . 6.000 4.544 2.781 5.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 42 GLU H 1 47 LYS QE 3.500 . 5.000 4.193 2.557 5.050 0.050 15 0 "[ . 1 . 2 . 3 .]" 1
486 1 42 GLU H 1 47 LYS HG2 4.700 . 6.000 4.115 2.675 6.029 0.029 29 0 "[ . 1 . 2 . 3 .]" 1
487 1 42 GLU H 1 47 LYS HG3 4.300 . 6.000 4.969 2.782 6.111 0.111 29 0 "[ . 1 . 2 . 3 .]" 1
488 1 42 GLU HA 1 42 GLU QB 2.800 . 3.700 2.388 2.176 2.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 42 GLU HA 1 43 GLY H 2.800 . 3.800 2.578 2.120 3.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 42 GLU HA 1 44 GLY H 4.200 . 6.000 4.444 3.424 6.069 0.069 22 0 "[ . 1 . 2 . 3 .]" 1
491 1 42 GLU HA 1 45 THR H 5.000 . 6.000 4.771 4.131 5.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 42 GLU QB 1 43 GLY H 4.800 . 6.000 3.215 1.869 4.052 0.031 29 0 "[ . 1 . 2 . 3 .]" 1
493 1 42 GLU QB 1 45 THR H 4.800 . 6.000 3.987 2.707 5.135 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 42 GLU HG3 1 43 GLY H 5.100 . 6.000 4.126 1.744 5.498 0.156 6 0 "[ . 1 . 2 . 3 .]" 1
495 1 43 GLY H 1 44 GLY H 3.900 . 5.800 2.840 1.999 4.150 0.001 35 0 "[ . 1 . 2 . 3 .]" 1
496 1 43 GLY H 1 45 THR H 5.100 . 6.000 3.906 2.359 4.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
497 1 43 GLY HA2 1 45 THR H 3.800 . 5.600 4.728 3.987 5.213 . 0 0 "[ . 1 . 2 . 3 .]" 1
498 1 44 GLY H 1 44 GLY HA2 2.400 . 3.100 2.564 2.288 2.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 44 GLY H 1 44 GLY HA3 3.000 . 4.200 2.776 2.547 2.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 44 GLY H 1 45 THR H 2.600 . 3.500 2.435 1.698 2.787 0.002 12 0 "[ . 1 . 2 . 3 .]" 1
501 1 44 GLY H 1 45 THR HA 5.000 . 6.000 4.908 4.276 5.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 44 GLY H 1 45 THR MG 4.300 . 6.000 4.444 2.626 6.006 0.006 18 0 "[ . 1 . 2 . 3 .]" 1
503 1 44 GLY HA2 1 45 THR H 3.200 . 4.500 2.945 2.736 3.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 44 GLY HA3 1 45 THR H 4.000 . 6.000 3.420 2.759 3.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 45 THR H 1 45 THR HA 2.800 . 3.800 2.875 2.804 2.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 45 THR H 1 45 THR HB 3.200 . 4.400 3.174 2.517 3.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 45 THR H 1 45 THR MG 2.800 . 3.800 3.129 1.977 3.914 0.114 32 0 "[ . 1 . 2 . 3 .]" 1
508 1 45 THR H 1 46 CYS H 4.400 . 6.000 4.227 4.053 4.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 45 THR H 1 46 CYS HA 4.600 . 6.000 4.622 4.370 5.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 45 THR HA 1 45 THR HB 2.200 . 2.800 2.696 2.438 3.003 0.203 18 0 "[ . 1 . 2 . 3 .]" 1
511 1 45 THR HA 1 45 THR MG 3.000 . 4.100 2.851 2.025 3.222 . 0 0 "[ . 1 . 2 . 3 .]" 1
512 1 45 THR HA 1 46 CYS H 2.000 . 2.500 2.187 2.128 2.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 1 45 THR HA 1 46 CYS HA 4.500 . 6.000 4.354 4.283 4.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 45 THR HA 1 46 CYS QB 4.900 . 6.000 4.049 3.822 4.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
515 1 45 THR HB 1 45 THR MG 2.200 . 2.800 2.106 2.075 2.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 45 THR HB 1 46 CYS H 3.700 . 5.400 4.051 2.872 4.234 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 45 THR MG 1 46 CYS H 3.500 . 5.000 3.189 2.146 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 45 THR MG 1 47 LYS H 4.500 . 6.000 4.662 3.833 6.034 0.034 2 0 "[ . 1 . 2 . 3 .]" 1
519 1 45 THR MG 1 47 LYS QE 3.000 . 4.100 3.344 1.901 4.284 0.184 15 0 "[ . 1 . 2 . 3 .]" 1
520 1 46 CYS H 1 46 CYS HA 2.900 . 4.000 2.907 2.845 2.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 46 CYS H 1 46 CYS QB 2.500 . 3.300 2.341 2.115 2.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 46 CYS H 1 47 LYS H 4.700 . 6.000 4.512 4.317 4.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 46 CYS HA 1 46 CYS QB 2.500 . 3.300 2.410 2.153 2.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 46 CYS HA 1 47 LYS H 2.000 . 2.500 2.217 2.127 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 46 CYS QB 1 47 LYS H 4.400 . 6.000 3.613 2.891 3.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 47 LYS H 1 47 LYS HA 2.600 . 3.400 2.887 2.776 2.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 47 LYS H 1 47 LYS HB2 3.400 . 4.800 3.729 2.427 4.119 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 47 LYS H 1 47 LYS HB3 3.200 . 4.500 3.496 3.182 3.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 47 LYS H 1 47 LYS QD 4.900 . 6.000 4.013 2.166 4.843 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 47 LYS H 1 47 LYS HG2 3.400 . 4.800 2.884 2.187 4.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 47 LYS H 1 47 LYS HG3 3.000 . 4.100 3.421 2.263 4.467 0.367 29 0 "[ . 1 . 2 . 3 .]" 1
532 1 47 LYS H 1 48 ASP H 4.300 . 6.000 4.305 3.959 4.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 47 LYS H 1 48 ASP HA 4.900 . 6.000 4.847 4.427 5.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 47 LYS HA 1 47 LYS HB2 2.600 . 3.500 2.561 2.318 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 47 LYS HA 1 47 LYS HB3 2.700 . 3.600 2.429 2.274 2.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 47 LYS HA 1 47 LYS QD 4.800 . 6.000 3.968 1.978 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 47 LYS HA 1 47 LYS HG2 3.600 . 5.200 3.631 2.575 4.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 47 LYS HA 1 47 LYS HG3 3.500 . 5.000 3.784 3.209 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 1 47 LYS HA 1 48 ASP H 2.000 . 2.500 2.235 2.116 2.623 0.123 26 0 "[ . 1 . 2 . 3 .]" 1
540 1 47 LYS HB2 1 48 ASP H 3.400 . 4.800 3.016 2.060 4.059 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 47 LYS HB3 1 47 LYS QE 4.300 . 6.000 3.317 1.851 4.217 0.149 21 0 "[ . 1 . 2 . 3 .]" 1
542 1 47 LYS HB3 1 48 ASP H 2.900 . 4.000 3.750 2.270 4.252 0.252 29 0 "[ . 1 . 2 . 3 .]" 1
543 1 47 LYS QD 1 48 ASP H 3.600 . 5.200 4.683 3.402 5.308 0.108 23 0 "[ . 1 . 2 . 3 .]" 1
544 1 47 LYS HG2 1 48 ASP H 4.100 . 6.000 4.791 3.869 5.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 47 LYS HG3 1 48 ASP H 4.700 . 6.000 4.393 2.652 5.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 1 48 ASP H 1 48 ASP HA 2.700 . 3.600 2.846 2.256 2.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 48 ASP H 1 48 ASP HB2 2.600 . 3.400 2.983 2.356 3.676 0.276 32 0 "[ . 1 . 2 . 3 .]" 1
548 1 48 ASP H 1 48 ASP HB3 2.700 . 3.600 2.765 2.367 3.679 0.079 27 0 "[ . 1 . 2 . 3 .]" 1
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