NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393674 |
1quz   |
4541 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1quz
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 308
_Distance_constraint_stats_list.Viol_count 1518
_Distance_constraint_stats_list.Viol_total 6544.783
_Distance_constraint_stats_list.Viol_max 4.502
_Distance_constraint_stats_list.Viol_rms 0.2506
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0531
_Distance_constraint_stats_list.Viol_average_violations_only 0.2156
_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 ALA 75.856 4.502 19 20 [*******-**********+*]
1 2 SER 1.524 0.277 8 0 "[ . 1 . 2]"
1 3 CYS 1.751 0.453 5 0 "[ . 1 . 2]"
1 4 ARG 13.754 0.675 6 7 "[* -.+ * * . * *]"
1 5 THR 5.245 0.483 11 0 "[ . 1 . 2]"
1 6 PRO 9.212 0.579 15 7 "[ .* * ** +- *2]"
1 7 LYS 2.764 0.196 5 0 "[ . 1 . 2]"
1 8 ASP 3.448 0.196 5 0 "[ . 1 . 2]"
1 9 CYS 12.977 0.471 6 0 "[ . 1 . 2]"
1 10 ALA 7.130 0.686 8 1 "[ . + 1 . 2]"
1 11 ASP 2.236 0.522 13 1 "[ . 1 + . 2]"
1 12 PRO 8.242 0.258 6 0 "[ . 1 . 2]"
1 13 CYS 21.096 0.834 2 11 "[*+***** *1 * . -*]"
1 14 ARG 20.990 0.738 12 2 "[ . - 1 + . 2]"
1 15 LYS 11.406 0.390 2 0 "[ . 1 . 2]"
1 16 GLU 15.625 0.277 13 0 "[ . 1 . 2]"
1 17 THR 7.033 0.277 13 0 "[ . 1 . 2]"
1 18 GLY 6.801 0.738 12 2 "[ . - 1 + . 2]"
1 19 CYS 19.726 0.840 7 11 "[ ** .*+**1* **-* 2]"
1 20 PRO 24.533 0.834 2 12 "[*+**.****1* . -**]"
1 21 TYR 49.282 1.867 5 20 [****+***********-***]
1 22 GLY 12.751 0.422 8 0 "[ . 1 . 2]"
1 23 LYS 27.826 0.875 1 9 "[+ .* * ** *- **]"
1 24 CYS 10.211 0.875 1 3 "[+ .* 1 . -]"
1 25 MET 6.447 0.319 5 0 "[ . 1 . 2]"
1 26 ASN 3.928 0.250 19 0 "[ . 1 . 2]"
1 27 ARG 78.030 4.502 19 20 [*******-**********+*]
1 28 LYS 7.005 0.412 17 0 "[ . 1 . 2]"
1 29 CYS 0.419 0.190 1 0 "[ . 1 . 2]"
1 30 LYS 1.043 0.142 3 0 "[ . 1 . 2]"
1 31 CYS 34.367 1.867 5 20 [****+-**************]
1 32 ASN 29.187 1.006 7 18 "[******+**- ****** **]"
1 33 ARG 31.540 1.006 7 17 "[* *-**+*******.** **]"
1 34 CYS 5.501 0.811 9 2 "[ . +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 ALA HA 1 1 ALA MB 2.700 2.030 3.370 2.224 2.215 2.246 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 2 SER H 2.600 2.210 2.990 2.613 2.349 3.111 0.121 8 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 2 SER H 3.400 2.550 4.250 2.564 2.273 2.952 0.277 8 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 12 PRO HG2 2.900 2.180 3.620 3.420 2.888 3.878 0.258 6 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 27 ARG QB 2.600 . 3.250 6.940 4.163 7.752 4.502 19 20 [*******-**********+*] 1
6 1 1 ALA MB 1 29 CYS H 4.400 3.300 5.500 4.020 3.205 5.534 0.095 8 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 29 CYS HB2 3.400 2.560 4.240 3.135 2.532 4.218 0.028 7 0 "[ . 1 . 2]" 1
8 1 1 ALA MB 1 29 CYS HB3 3.700 2.770 4.630 4.204 3.622 4.645 0.015 8 0 "[ . 1 . 2]" 1
9 1 2 SER H 1 2 SER HA 3.400 2.890 3.910 2.913 2.862 2.947 0.028 12 0 "[ . 1 . 2]" 1
10 1 2 SER H 1 2 SER HB2 3.100 2.320 3.880 2.946 2.446 3.883 0.003 15 0 "[ . 1 . 2]" 1
11 1 2 SER HA 1 2 SER HB2 2.800 2.100 3.500 2.855 2.477 3.094 . 0 0 "[ . 1 . 2]" 1
12 1 2 SER HA 1 3 CYS H 2.700 2.290 3.110 2.375 2.207 2.642 0.083 8 0 "[ . 1 . 2]" 1
13 1 3 CYS H 1 3 CYS HB2 4.900 3.670 6.130 3.951 3.789 4.073 . 0 0 "[ . 1 . 2]" 1
14 1 3 CYS H 1 3 CYS HB3 3.600 2.700 4.500 3.461 3.167 3.645 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS H 1 27 ARG HA 2.900 2.470 3.330 3.006 2.415 3.441 0.111 20 0 "[ . 1 . 2]" 1
16 1 3 CYS H 1 27 ARG QB 3.600 2.700 4.500 3.351 2.697 4.414 0.003 3 0 "[ . 1 . 2]" 1
17 1 3 CYS HA 1 3 CYS HB2 2.700 2.020 3.380 2.585 2.407 2.696 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS HA 1 3 CYS HB3 2.500 . 3.120 2.386 2.329 2.458 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS HA 1 4 ARG H 2.600 2.210 2.990 2.488 2.080 2.787 0.130 14 0 "[ . 1 . 2]" 1
20 1 3 CYS HA 1 4 ARG QG 4.500 3.380 5.620 3.895 3.378 4.434 0.002 15 0 "[ . 1 . 2]" 1
21 1 3 CYS HA 1 8 ASP QB 2.300 . 2.870 2.636 1.968 2.868 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS HB2 1 4 ARG H 3.000 2.250 3.750 2.437 1.797 3.432 0.453 5 0 "[ . 1 . 2]" 1
23 1 3 CYS HB2 1 5 THR H 3.400 2.550 4.250 3.505 2.867 4.119 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS HB2 1 8 ASP H 3.400 2.550 4.250 3.735 3.499 3.900 . 0 0 "[ . 1 . 2]" 1
25 1 4 ARG H 1 4 ARG HB2 2.900 2.180 3.620 2.743 2.351 2.992 . 0 0 "[ . 1 . 2]" 1
26 1 4 ARG H 1 4 ARG QG 2.800 2.100 3.500 3.083 2.159 3.640 0.140 17 0 "[ . 1 . 2]" 1
27 1 4 ARG H 1 5 THR H 2.500 2.130 2.870 2.109 1.968 2.269 0.162 5 0 "[ . 1 . 2]" 1
28 1 4 ARG H 1 8 ASP QB 3.000 2.250 3.750 2.566 2.247 3.260 0.003 9 0 "[ . 1 . 2]" 1
29 1 4 ARG HA 1 4 ARG HB3 2.500 . 3.120 2.481 2.318 2.638 . 0 0 "[ . 1 . 2]" 1
30 1 4 ARG HA 1 4 ARG QG 2.800 2.110 3.490 2.526 2.123 3.044 . 0 0 "[ . 1 . 2]" 1
31 1 4 ARG QB 1 4 ARG QG 2.000 . 2.500 2.029 1.956 2.128 . 0 0 "[ . 1 . 2]" 1
32 1 4 ARG HB2 1 4 ARG QD 3.600 2.700 4.500 3.104 2.500 3.566 0.200 17 0 "[ . 1 . 2]" 1
33 1 4 ARG HB2 1 4 ARG QD 4.000 3.000 5.000 2.700 2.325 3.223 0.675 6 7 "[* -.+ * * . * *]" 1
34 1 4 ARG HB2 1 4 ARG QG 1.800 . 2.250 2.035 1.920 2.199 . 0 0 "[ . 1 . 2]" 1
35 1 4 ARG HB2 1 5 THR H 3.200 2.400 4.000 2.386 2.157 2.806 0.243 17 0 "[ . 1 . 2]" 1
36 1 4 ARG HB3 1 4 ARG QG 1.800 . 2.250 2.307 2.135 2.515 0.265 11 0 "[ . 1 . 2]" 1
37 1 4 ARG HB3 1 5 THR MG 2.600 . 3.250 3.303 3.101 3.733 0.483 11 0 "[ . 1 . 2]" 1
38 1 5 THR H 1 5 THR MG 3.900 2.930 4.870 2.908 2.794 3.106 0.136 10 0 "[ . 1 . 2]" 1
39 1 5 THR H 1 8 ASP QB 3.200 2.400 4.000 3.244 2.930 3.467 . 0 0 "[ . 1 . 2]" 1
40 1 5 THR HA 1 5 THR HB 2.800 . 3.600 2.497 2.355 2.556 . 0 0 "[ . 1 . 2]" 1
41 1 5 THR HA 1 5 THR MG 2.900 2.170 3.630 2.367 2.328 2.469 . 0 0 "[ . 1 . 2]" 1
42 1 5 THR HA 1 6 PRO QD 2.200 . 2.760 2.088 2.005 2.168 . 0 0 "[ . 1 . 2]" 1
43 1 5 THR HA 1 6 PRO QG 4.600 3.450 5.750 3.834 3.730 3.916 . 0 0 "[ . 1 . 2]" 1
44 1 5 THR HB 1 5 THR MG 3.000 2.240 3.760 2.197 2.184 2.207 0.056 10 0 "[ . 1 . 2]" 1
45 1 5 THR HB 1 6 PRO QD 2.500 . 3.110 2.376 2.268 2.528 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR MG 1 6 PRO QD 4.000 2.990 5.010 3.353 3.245 3.514 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR MG 1 7 LYS H 4.800 3.600 6.000 4.684 4.554 4.832 . 0 0 "[ . 1 . 2]" 1
48 1 6 PRO HA 1 6 PRO QB 2.800 2.110 3.490 2.277 2.199 2.346 . 0 0 "[ . 1 . 2]" 1
49 1 6 PRO HA 1 8 ASP H 4.400 3.740 5.060 3.667 3.574 3.754 0.166 14 0 "[ . 1 . 2]" 1
50 1 6 PRO HA 1 24 CYS H 4.100 3.490 4.710 3.541 3.366 3.976 0.124 11 0 "[ . 1 . 2]" 1
51 1 6 PRO QB 1 7 LYS H 3.900 2.940 4.860 3.296 3.000 3.513 . 0 0 "[ . 1 . 2]" 1
52 1 6 PRO QB 1 23 LYS HA 3.400 2.550 4.250 2.215 1.971 2.774 0.579 15 7 "[ .* * ** +- *2]" 1
53 1 6 PRO QB 1 24 CYS H 3.000 2.250 3.750 2.658 2.261 3.499 . 0 0 "[ . 1 . 2]" 1
54 1 6 PRO QD 1 6 PRO QG 2.500 . 3.120 2.015 1.984 2.039 . 0 0 "[ . 1 . 2]" 1
55 1 6 PRO QD 1 24 CYS QB 2.500 . 3.130 2.850 2.562 3.169 0.039 14 0 "[ . 1 . 2]" 1
56 1 6 PRO QG 1 24 CYS QB 1.800 . 2.250 2.178 2.082 2.364 0.114 8 0 "[ . 1 . 2]" 1
57 1 7 LYS H 1 7 LYS HA 3.300 2.810 3.790 2.869 2.807 2.931 0.003 13 0 "[ . 1 . 2]" 1
58 1 7 LYS H 1 7 LYS QB 3.200 2.390 4.010 2.408 2.232 2.656 0.158 20 0 "[ . 1 . 2]" 1
59 1 7 LYS HA 1 7 LYS QB 2.800 2.100 3.500 2.365 2.122 2.508 . 0 0 "[ . 1 . 2]" 1
60 1 7 LYS HA 1 8 ASP H 4.200 3.570 4.830 3.489 3.433 3.530 0.137 8 0 "[ . 1 . 2]" 1
61 1 7 LYS QB 1 7 LYS QG 1.900 . 2.380 2.056 1.965 2.141 . 0 0 "[ . 1 . 2]" 1
62 1 7 LYS QB 1 8 ASP H 3.600 2.690 4.510 3.462 3.225 4.131 . 0 0 "[ . 1 . 2]" 1
63 1 7 LYS QD 1 7 LYS QG 1.800 . 2.250 2.113 2.027 2.146 . 0 0 "[ . 1 . 2]" 1
64 1 7 LYS QG 1 8 ASP H 4.900 3.670 6.130 4.447 3.474 5.023 0.196 5 0 "[ . 1 . 2]" 1
65 1 8 ASP H 1 8 ASP QB 2.800 2.110 3.490 2.450 2.304 2.572 . 0 0 "[ . 1 . 2]" 1
66 1 8 ASP H 1 9 CYS H 2.400 2.040 2.760 2.574 2.409 2.773 0.013 12 0 "[ . 1 . 2]" 1
67 1 8 ASP H 1 9 CYS QB 4.000 3.000 5.000 4.178 3.791 4.703 . 0 0 "[ . 1 . 2]" 1
68 1 8 ASP QB 1 9 CYS H 3.400 2.550 4.250 3.494 3.373 3.560 . 0 0 "[ . 1 . 2]" 1
69 1 9 CYS H 1 9 CYS QB . 2.850 3.620 2.492 2.379 2.618 0.471 6 0 "[ . 1 . 2]" 1
70 1 9 CYS H 1 10 ALA H 2.800 2.390 3.210 2.393 2.256 3.161 0.134 15 0 "[ . 1 . 2]" 1
71 1 9 CYS HA 1 9 CYS QB 2.500 . 3.120 2.510 2.437 2.612 . 0 0 "[ . 1 . 2]" 1
72 1 9 CYS HA 1 12 PRO HB2 3.400 2.550 4.250 4.038 2.984 4.498 0.248 6 0 "[ . 1 . 2]" 1
73 1 9 CYS HA 1 12 PRO QD 3.100 . 4.400 2.528 2.049 2.982 . 0 0 "[ . 1 . 2]" 1
74 1 9 CYS HA 1 12 PRO HG2 2.900 2.180 3.620 2.275 2.027 2.868 0.153 14 0 "[ . 1 . 2]" 1
75 1 9 CYS QB 1 22 GLY H 3.700 2.770 4.630 4.063 3.671 4.331 . 0 0 "[ . 1 . 2]" 1
76 1 9 CYS QB 1 22 GLY QA 3.000 3.000 3.750 3.105 2.663 3.679 0.337 7 0 "[ . 1 . 2]" 1
77 1 9 CYS QB 1 29 CYS HB3 2.900 2.170 3.630 3.124 2.409 3.820 0.190 1 0 "[ . 1 . 2]" 1
78 1 10 ALA H 1 10 ALA HA 3.200 2.720 3.680 2.764 2.651 2.950 0.069 14 0 "[ . 1 . 2]" 1
79 1 10 ALA H 1 10 ALA MB 2.800 2.100 3.500 2.184 2.125 2.362 . 0 0 "[ . 1 . 2]" 1
80 1 10 ALA H 1 11 ASP H 3.300 2.800 3.800 2.854 2.683 3.335 0.117 13 0 "[ . 1 . 2]" 1
81 1 10 ALA H 1 12 PRO QD 3.900 2.930 4.870 3.420 2.784 3.796 0.146 13 0 "[ . 1 . 2]" 1
82 1 10 ALA H 1 13 CYS QB 3.800 2.850 4.750 4.581 4.373 4.805 0.055 16 0 "[ . 1 . 2]" 1
83 1 10 ALA HA 1 10 ALA MB 2.800 2.110 3.490 2.166 2.132 2.199 . 0 0 "[ . 1 . 2]" 1
84 1 10 ALA HA 1 11 ASP H 3.800 3.230 4.370 3.580 3.497 3.695 . 0 0 "[ . 1 . 2]" 1
85 1 10 ALA HA 1 13 CYS QB 4.000 3.000 5.000 3.059 2.749 3.753 0.251 5 0 "[ . 1 . 2]" 1
86 1 10 ALA HA 1 14 ARG H 4.500 3.830 5.170 4.219 3.772 5.213 0.058 1 0 "[ . 1 . 2]" 1
87 1 10 ALA HA 1 20 PRO HA 3.200 2.710 3.690 2.694 2.513 3.226 0.197 10 0 "[ . 1 . 2]" 1
88 1 10 ALA HA 1 20 PRO HB3 3.900 2.930 4.870 3.422 2.244 4.687 0.686 8 1 "[ . + 1 . 2]" 1
89 1 10 ALA MB 1 11 ASP H 3.000 2.260 3.740 2.537 2.254 2.892 0.006 13 0 "[ . 1 . 2]" 1
90 1 10 ALA MB 1 20 PRO HA 3.100 2.320 3.880 3.586 2.335 3.926 0.046 4 0 "[ . 1 . 2]" 1
91 1 10 ALA MB 1 20 PRO HB3 3.000 2.250 3.750 2.917 2.321 3.714 . 0 0 "[ . 1 . 2]" 1
92 1 11 ASP H 1 11 ASP HA 3.300 2.810 3.790 2.869 2.787 2.909 0.023 13 0 "[ . 1 . 2]" 1
93 1 11 ASP H 1 11 ASP HB2 3.000 2.260 3.740 2.524 2.287 2.678 . 0 0 "[ . 1 . 2]" 1
94 1 11 ASP H 1 12 PRO QD 2.800 2.110 3.490 2.234 2.072 2.540 0.038 7 0 "[ . 1 . 2]" 1
95 1 11 ASP HA 1 11 ASP HB2 4.000 3.000 5.000 2.997 2.478 3.091 0.522 13 1 "[ . 1 + . 2]" 1
96 1 11 ASP HA 1 14 ARG HB3 3.100 2.320 3.880 2.616 2.269 3.670 0.051 13 0 "[ . 1 . 2]" 1
97 1 11 ASP HB2 1 12 PRO QD 2.700 2.030 3.370 2.433 2.034 3.520 0.150 13 0 "[ . 1 . 2]" 1
98 1 11 ASP HB3 1 12 PRO QD 2.800 2.100 3.500 3.187 1.987 3.492 0.113 2 0 "[ . 1 . 2]" 1
99 1 12 PRO HA 1 12 PRO HB3 2.400 . 3.010 2.354 2.253 2.455 . 0 0 "[ . 1 . 2]" 1
100 1 12 PRO HA 1 12 PRO QD 3.700 2.770 4.630 3.318 3.207 3.466 . 0 0 "[ . 1 . 2]" 1
101 1 12 PRO HA 1 12 PRO HG3 3.200 2.400 4.000 3.841 3.053 4.209 0.209 15 0 "[ . 1 . 2]" 1
102 1 12 PRO HA 1 13 CYS H 4.300 3.660 4.940 3.643 3.563 3.746 0.097 12 0 "[ . 1 . 2]" 1
103 1 12 PRO HA 1 14 ARG H 4.600 3.910 5.290 4.430 3.898 4.930 0.012 12 0 "[ . 1 . 2]" 1
104 1 12 PRO HA 1 15 LYS H 4.100 3.490 4.710 3.585 3.365 4.075 0.125 4 0 "[ . 1 . 2]" 1
105 1 12 PRO HA 1 15 LYS QB 3.200 2.400 4.000 2.781 2.265 3.817 0.135 11 0 "[ . 1 . 2]" 1
106 1 12 PRO HB2 1 12 PRO QD 3.200 2.400 4.000 3.367 2.761 3.603 . 0 0 "[ . 1 . 2]" 1
107 1 12 PRO HB2 1 12 PRO HG3 2.400 . 3.000 2.788 2.650 3.023 0.023 10 0 "[ . 1 . 2]" 1
108 1 12 PRO HB2 1 13 CYS H 3.300 2.480 4.120 3.473 2.650 4.090 . 0 0 "[ . 1 . 2]" 1
109 1 12 PRO QD 1 12 PRO HG2 2.700 2.020 3.380 2.292 2.217 2.364 . 0 0 "[ . 1 . 2]" 1
110 1 12 PRO QD 1 12 PRO HG3 2.700 2.020 3.380 2.267 2.217 2.299 . 0 0 "[ . 1 . 2]" 1
111 1 12 PRO QD 1 13 CYS H 3.300 2.480 4.120 2.998 2.523 3.241 . 0 0 "[ . 1 . 2]" 1
112 1 12 PRO HG2 1 13 CYS H 3.300 2.460 4.140 3.142 2.440 4.296 0.156 16 0 "[ . 1 . 2]" 1
113 1 13 CYS H 1 13 CYS QB . 2.770 3.490 2.340 2.047 2.487 0.723 13 5 "[ * * *1 + . -2]" 1
114 1 13 CYS H 1 14 ARG H 3.000 2.550 3.450 2.619 2.435 2.953 0.115 13 0 "[ . 1 . 2]" 1
115 1 13 CYS HA 1 13 CYS QB 2.700 2.250 3.360 2.405 2.265 2.563 . 0 0 "[ . 1 . 2]" 1
116 1 13 CYS HA 1 16 GLU QG 2.600 . 3.260 2.086 1.898 2.388 0.042 20 0 "[ . 1 . 2]" 1
117 1 13 CYS HA 1 17 THR MG 4.400 3.300 5.500 3.943 3.119 5.250 0.181 6 0 "[ . 1 . 2]" 1
118 1 13 CYS QB 1 14 ARG H 3.500 2.620 4.380 3.070 2.446 3.416 0.174 9 0 "[ . 1 . 2]" 1
119 1 13 CYS QB 1 14 ARG H 3.200 2.400 4.000 2.612 2.306 2.752 0.094 9 0 "[ . 1 . 2]" 1
120 1 13 CYS QB 1 20 PRO HA . 3.230 4.120 2.839 2.396 3.754 0.834 2 7 "[*+ *.-* 1 . **]" 1
121 1 13 CYS QB 1 21 TYR H 3.800 2.840 4.760 3.592 2.834 4.127 0.006 15 0 "[ . 1 . 2]" 1
122 1 14 ARG H 1 14 ARG HB2 3.000 2.260 3.740 2.603 2.258 3.567 0.002 18 0 "[ . 1 . 2]" 1
123 1 14 ARG H 1 14 ARG HB3 3.200 2.400 4.000 2.381 2.257 2.561 0.143 15 0 "[ . 1 . 2]" 1
124 1 14 ARG H 1 14 ARG QG 4.500 3.390 5.610 3.922 3.271 4.000 0.119 15 0 "[ . 1 . 2]" 1
125 1 14 ARG H 1 15 LYS H 3.100 2.630 3.570 2.685 2.563 3.035 0.067 1 0 "[ . 1 . 2]" 1
126 1 14 ARG HA 1 14 ARG HB2 2.900 2.170 3.630 2.433 2.235 2.641 . 0 0 "[ . 1 . 2]" 1
127 1 14 ARG HA 1 14 ARG HB3 3.500 2.620 4.380 3.054 2.662 3.118 . 0 0 "[ . 1 . 2]" 1
128 1 14 ARG HA 1 14 ARG QG 3.100 2.310 3.890 2.678 2.378 3.350 . 0 0 "[ . 1 . 2]" 1
129 1 14 ARG HA 1 15 LYS H 3.700 3.140 4.260 3.461 3.128 3.608 0.012 15 0 "[ . 1 . 2]" 1
130 1 14 ARG HA 1 16 GLU H 4.900 4.170 5.630 4.557 4.117 5.011 0.053 8 0 "[ . 1 . 2]" 1
131 1 14 ARG HA 1 17 THR H 4.600 3.910 5.290 4.182 3.729 4.635 0.181 14 0 "[ . 1 . 2]" 1
132 1 14 ARG HA 1 18 GLY H 3.300 2.810 3.790 2.853 2.700 3.199 0.110 13 0 "[ . 1 . 2]" 1
133 1 14 ARG HA 1 18 GLY HA2 3.200 2.720 3.680 2.511 1.982 3.379 0.738 12 2 "[ . - 1 + . 2]" 1
134 1 14 ARG HA 1 19 CYS H 3.200 2.720 3.680 3.401 2.711 3.799 0.119 8 0 "[ . 1 . 2]" 1
135 1 14 ARG HA 1 19 CYS HA 4.400 3.740 5.060 4.152 3.644 4.812 0.096 1 0 "[ . 1 . 2]" 1
136 1 14 ARG HB2 1 14 ARG QD 4.200 3.150 5.250 3.117 2.940 3.370 0.210 3 0 "[ . 1 . 2]" 1
137 1 14 ARG HB2 1 14 ARG QG 1.800 . 2.250 2.364 2.231 2.438 0.188 7 0 "[ . 1 . 2]" 1
138 1 14 ARG HB2 1 14 ARG QG 1.900 . 2.370 2.121 2.033 2.199 . 0 0 "[ . 1 . 2]" 1
139 1 14 ARG HB3 1 14 ARG QD 4.000 2.990 5.010 3.145 2.843 3.646 0.147 13 0 "[ . 1 . 2]" 1
140 1 14 ARG HB3 1 14 ARG QG 2.400 . 3.000 2.346 2.119 2.606 . 0 0 "[ . 1 . 2]" 1
141 1 14 ARG HB3 1 15 LYS H 3.100 2.320 3.880 3.132 2.475 3.995 0.115 15 0 "[ . 1 . 2]" 1
142 1 14 ARG QD 1 14 ARG HE 3.200 2.400 4.000 2.483 2.290 2.575 0.110 5 0 "[ . 1 . 2]" 1
143 1 14 ARG QD 1 14 ARG QG 2.700 2.040 3.360 2.040 1.994 2.096 0.046 11 0 "[ . 1 . 2]" 1
144 1 14 ARG HE 1 14 ARG QG 3.700 2.770 4.630 2.841 2.620 3.301 0.150 19 0 "[ . 1 . 2]" 1
145 1 14 ARG HE 1 20 PRO HG3 4.500 3.380 5.620 4.223 3.044 5.683 0.336 20 0 "[ . 1 . 2]" 1
146 1 14 ARG QG 1 15 LYS H 4.000 3.000 5.000 3.865 3.245 4.057 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG QG 1 15 LYS HA 2.900 2.190 3.610 3.856 3.687 4.000 0.390 2 0 "[ . 1 . 2]" 1
148 1 14 ARG QG 1 18 GLY HA3 3.300 2.480 4.120 2.660 2.442 3.098 0.038 9 0 "[ . 1 . 2]" 1
149 1 15 LYS H 1 15 LYS HA 3.300 2.810 3.790 2.883 2.778 2.930 0.032 14 0 "[ . 1 . 2]" 1
150 1 15 LYS H 1 15 LYS QB 2.900 2.180 3.620 2.271 2.107 2.533 0.073 14 0 "[ . 1 . 2]" 1
151 1 15 LYS H 1 15 LYS HG2 3.600 2.700 4.500 3.840 2.414 4.138 0.286 18 0 "[ . 1 . 2]" 1
152 1 15 LYS H 1 16 GLU H 2.900 2.470 3.330 2.460 2.366 2.714 0.104 13 0 "[ . 1 . 2]" 1
153 1 15 LYS HA 1 15 LYS QB 2.900 2.150 3.650 2.419 2.349 2.532 . 0 0 "[ . 1 . 2]" 1
154 1 15 LYS HA 1 15 LYS HG3 3.000 2.250 3.750 2.893 2.481 3.813 0.063 18 0 "[ . 1 . 2]" 1
155 1 15 LYS HA 1 16 GLU H 3.800 3.230 4.370 3.591 3.445 3.673 . 0 0 "[ . 1 . 2]" 1
156 1 15 LYS QB 1 16 GLU H 3.200 2.390 4.010 2.828 2.591 3.270 . 0 0 "[ . 1 . 2]" 1
157 1 15 LYS QD 1 15 LYS QE 2.700 2.020 3.380 2.115 2.048 2.154 . 0 0 "[ . 1 . 2]" 1
158 1 15 LYS QD 1 15 LYS HG3 1.800 . 2.250 2.390 2.155 2.483 0.233 13 0 "[ . 1 . 2]" 1
159 1 16 GLU H 1 16 GLU HA 3.200 2.720 3.680 2.939 2.897 2.969 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLU H 1 16 GLU QB 4.100 3.080 5.120 2.910 2.821 3.023 0.259 13 0 "[ . 1 . 2]" 1
161 1 16 GLU H 1 16 GLU QG 2.800 2.110 3.490 2.281 2.101 2.532 0.009 15 0 "[ . 1 . 2]" 1
162 1 16 GLU H 1 17 THR H 3.200 2.720 3.680 2.643 2.491 2.754 0.229 18 0 "[ . 1 . 2]" 1
163 1 16 GLU HA 1 16 GLU QB 3.200 2.390 4.010 2.202 2.172 2.239 0.218 8 0 "[ . 1 . 2]" 1
164 1 16 GLU HA 1 16 GLU QG 2.600 . 3.260 3.384 3.349 3.415 0.155 12 0 "[ . 1 . 2]" 1
165 1 16 GLU QB 1 16 GLU QG 1.900 . 2.370 2.129 2.097 2.159 . 0 0 "[ . 1 . 2]" 1
166 1 16 GLU QG 1 17 THR H 2.900 2.180 3.620 2.373 2.093 2.632 0.087 12 0 "[ . 1 . 2]" 1
167 1 16 GLU QG 1 17 THR HA 3.200 2.400 4.000 4.069 3.757 4.218 0.218 10 0 "[ . 1 . 2]" 1
168 1 16 GLU QG 1 17 THR MG 3.000 2.260 3.740 2.373 2.119 4.017 0.277 13 0 "[ . 1 . 2]" 1
169 1 16 GLU QG 1 31 CYS QB 3.100 2.320 3.880 3.534 2.921 3.970 0.090 10 0 "[ . 1 . 2]" 1
170 1 17 THR H 1 17 THR MG 3.300 2.480 4.120 2.719 2.402 3.890 0.078 6 0 "[ . 1 . 2]" 1
171 1 17 THR H 1 18 GLY H 2.500 2.120 2.880 2.272 2.033 2.961 0.087 19 0 "[ . 1 . 2]" 1
172 1 17 THR HA 1 17 THR MG 3.000 2.260 3.740 2.532 2.219 3.275 0.041 14 0 "[ . 1 . 2]" 1
173 1 17 THR HB 1 17 THR MG 2.500 . 3.130 2.172 2.139 2.197 . 0 0 "[ . 1 . 2]" 1
174 1 17 THR MG 1 31 CYS QB 3.000 2.240 3.760 2.679 2.229 3.112 0.011 8 0 "[ . 1 . 2]" 1
175 1 17 THR MG 1 32 ASN H 5.000 3.750 6.250 4.450 3.664 6.281 0.086 2 0 "[ . 1 . 2]" 1
176 1 18 GLY H 1 18 GLY HA2 2.600 2.210 2.990 2.385 2.138 2.811 0.072 9 0 "[ . 1 . 2]" 1
177 1 19 CYS H 1 19 CYS QB 3.100 2.390 3.880 2.557 2.272 3.288 0.118 8 0 "[ . 1 . 2]" 1
178 1 19 CYS H 1 20 PRO QD 5.000 3.750 6.250 4.289 4.084 4.449 . 0 0 "[ . 1 . 2]" 1
179 1 19 CYS HA 1 19 CYS QB 2.800 2.190 3.500 2.437 2.131 2.630 0.059 18 0 "[ . 1 . 2]" 1
180 1 19 CYS HA 1 20 PRO HB2 4.100 3.080 5.120 5.565 5.197 5.798 0.678 3 8 "[ *+ .****1* . - 2]" 1
181 1 19 CYS HA 1 20 PRO QD 2.200 . 2.740 1.996 1.912 2.109 . 0 0 "[ . 1 . 2]" 1
182 1 19 CYS HA 1 20 PRO HG2 5.000 3.750 6.250 4.551 4.323 4.841 . 0 0 "[ . 1 . 2]" 1
183 1 19 CYS HA 1 21 TYR QD 4.500 3.380 5.620 4.823 3.528 5.628 0.008 1 0 "[ . 1 . 2]" 1
184 1 19 CYS QB 1 20 PRO QD 2.500 . 3.120 2.736 2.017 3.272 0.152 18 0 "[ . 1 . 2]" 1
185 1 19 CYS QB 1 21 TYR H 4.800 3.600 6.000 3.467 2.990 4.414 0.610 8 2 "[ . + 1 .- 2]" 1
186 1 19 CYS QB 1 21 TYR QE 4.400 3.300 5.500 3.778 3.356 4.260 . 0 0 "[ . 1 . 2]" 1
187 1 19 CYS QB 1 21 TYR QD 4.000 3.000 5.000 3.120 2.160 4.580 0.840 7 7 "[ .*+ *1* **- 2]" 1
188 1 19 CYS QB 1 33 ARG HA 3.200 2.300 4.100 2.930 2.081 3.988 0.219 2 0 "[ . 1 . 2]" 1
189 1 19 CYS QB 1 34 CYS H 3.200 2.410 3.990 2.993 2.361 3.657 0.049 2 0 "[ . 1 . 2]" 1
190 1 20 PRO HA 1 20 PRO QD 4.500 3.380 5.620 3.470 3.365 3.571 0.015 2 0 "[ . 1 . 2]" 1
191 1 20 PRO HA 1 20 PRO HG2 3.500 2.620 4.380 3.845 3.755 4.030 . 0 0 "[ . 1 . 2]" 1
192 1 20 PRO HB2 1 20 PRO QD 3.000 2.260 3.740 3.552 2.810 3.642 . 0 0 "[ . 1 . 2]" 1
193 1 20 PRO HB3 1 20 PRO QD 3.800 2.850 4.750 2.815 2.597 3.600 0.253 2 0 "[ . 1 . 2]" 1
194 1 20 PRO HB3 1 20 PRO HG2 2.900 2.180 3.620 2.988 2.774 3.088 . 0 0 "[ . 1 . 2]" 1
195 1 20 PRO QD 1 20 PRO HG2 2.600 . 3.260 2.297 2.236 2.364 . 0 0 "[ . 1 . 2]" 1
196 1 20 PRO QD 1 20 PRO HG3 2.600 . 3.240 2.261 2.223 2.298 . 0 0 "[ . 1 . 2]" 1
197 1 20 PRO QD 1 21 TYR H 4.100 3.080 5.120 3.990 3.489 4.632 . 0 0 "[ . 1 . 2]" 1
198 1 20 PRO QD 1 21 TYR QD 3.600 2.690 4.510 3.192 2.570 4.174 0.120 16 0 "[ . 1 . 2]" 1
199 1 20 PRO QD 1 21 TYR QE 3.600 2.700 4.500 3.847 2.916 4.539 0.039 18 0 "[ . 1 . 2]" 1
200 1 20 PRO HG2 1 21 TYR QD 3.800 2.850 4.750 3.391 2.686 4.776 0.164 20 0 "[ . 1 . 2]" 1
201 1 20 PRO HG2 1 21 TYR QE 3.600 2.700 4.500 3.914 2.928 4.579 0.079 11 0 "[ . 1 . 2]" 1
202 1 21 TYR H 1 21 TYR HB2 3.500 2.620 4.380 2.575 2.358 2.867 0.262 11 0 "[ . 1 . 2]" 1
203 1 21 TYR H 1 21 TYR HB3 3.500 2.620 4.380 3.655 3.234 3.911 . 0 0 "[ . 1 . 2]" 1
204 1 21 TYR H 1 31 CYS QB 3.300 2.480 4.120 5.369 4.718 5.987 1.867 5 20 [****+-**************] 1
205 1 21 TYR HA 1 21 TYR HB3 3.000 2.250 3.750 2.723 2.490 3.035 . 0 0 "[ . 1 . 2]" 1
206 1 21 TYR HA 1 21 TYR QD 3.500 2.610 4.390 2.827 2.519 3.195 0.091 13 0 "[ . 1 . 2]" 1
207 1 21 TYR HB2 1 32 ASN H 2.700 2.020 3.380 3.420 2.979 4.205 0.825 8 2 "[ . + - . 2]" 1
208 1 21 TYR HB2 1 33 ARG HE 3.300 2.460 4.140 4.385 4.011 5.060 0.920 8 3 "[ . + 1* . -]" 1
209 1 21 TYR HB3 1 21 TYR QD 3.100 2.330 3.870 2.370 2.165 2.778 0.165 20 0 "[ . 1 . 2]" 1
210 1 21 TYR HB3 1 22 GLY H 3.800 2.850 4.750 4.125 2.828 4.624 0.022 15 0 "[ . 1 . 2]" 1
211 1 21 TYR HB3 1 33 ARG HE 4.000 3.000 5.000 4.935 4.349 5.169 0.169 4 0 "[ . 1 . 2]" 1
212 1 21 TYR QD 1 22 GLY H 4.500 3.380 5.620 4.579 3.330 5.062 0.050 12 0 "[ . 1 . 2]" 1
213 1 21 TYR QD 1 32 ASN QB 2.800 2.090 3.510 2.959 2.195 3.448 . 0 0 "[ . 1 . 2]" 1
214 1 21 TYR QD 1 33 ARG HB2 5.200 3.900 6.500 6.133 5.447 6.526 0.026 17 0 "[ . 1 . 2]" 1
215 1 21 TYR QD 1 34 CYS HB3 4.200 3.150 5.250 3.283 2.339 4.465 0.811 9 2 "[ . +1 -. 2]" 1
216 1 21 TYR QE 1 32 ASN QB 4.200 3.140 5.260 4.930 4.001 5.213 . 0 0 "[ . 1 . 2]" 1
217 1 22 GLY QA 1 23 LYS H 2.900 2.550 3.330 2.215 2.161 2.276 0.389 14 0 "[ . 1 . 2]" 1
218 1 22 GLY QA 1 31 CYS HA 2.900 2.470 3.230 2.257 2.048 2.391 0.422 8 0 "[ . 1 . 2]" 1
219 1 23 LYS H 1 23 LYS HA 3.300 2.810 3.790 2.943 2.882 2.979 . 0 0 "[ . 1 . 2]" 1
220 1 23 LYS H 1 23 LYS HB2 3.800 2.850 4.750 2.754 2.415 3.261 0.435 18 0 "[ . 1 . 2]" 1
221 1 23 LYS H 1 23 LYS HB3 2.900 2.180 3.620 3.153 2.419 3.826 0.206 12 0 "[ . 1 . 2]" 1
222 1 23 LYS H 1 23 LYS QD 4.800 3.610 5.990 4.382 3.802 4.865 . 0 0 "[ . 1 . 2]" 1
223 1 23 LYS H 1 23 LYS QG 4.300 3.230 5.370 3.624 3.049 4.206 0.181 11 0 "[ . 1 . 2]" 1
224 1 23 LYS H 1 30 LYS H 3.500 2.970 4.030 3.056 2.828 3.532 0.142 3 0 "[ . 1 . 2]" 1
225 1 23 LYS HA 1 23 LYS HB2 2.700 2.030 3.370 2.781 2.395 3.110 . 0 0 "[ . 1 . 2]" 1
226 1 23 LYS HA 1 23 LYS HB3 2.800 2.100 3.500 2.589 2.083 2.930 0.017 6 0 "[ . 1 . 2]" 1
227 1 23 LYS HA 1 24 CYS H 2.500 2.120 2.880 2.186 2.057 2.324 0.063 11 0 "[ . 1 . 2]" 1
228 1 23 LYS HA 1 24 CYS QB 3.400 2.550 4.250 3.918 3.662 4.070 . 0 0 "[ . 1 . 2]" 1
229 1 23 LYS HB2 1 24 CYS H 3.200 2.390 4.010 4.171 4.048 4.395 0.385 4 0 "[ . 1 . 2]" 1
230 1 23 LYS HB3 1 24 CYS H 5.000 3.750 6.250 3.663 2.875 4.271 0.875 1 3 "[+ .* 1 . -]" 1
231 1 23 LYS HB3 1 25 MET QG 3.200 2.400 4.000 3.674 2.476 4.096 0.096 16 0 "[ . 1 . 2]" 1
232 1 24 CYS H 1 24 CYS HA 3.200 2.720 3.680 2.948 2.874 2.999 . 0 0 "[ . 1 . 2]" 1
233 1 24 CYS H 1 24 CYS QB 3.200 2.410 3.990 2.364 2.216 2.483 0.194 13 0 "[ . 1 . 2]" 1
234 1 24 CYS HA 1 24 CYS QB 2.900 2.180 3.360 2.452 2.360 2.541 . 0 0 "[ . 1 . 2]" 1
235 1 24 CYS HA 1 25 MET H 2.400 2.040 2.760 2.160 2.089 2.267 . 0 0 "[ . 1 . 2]" 1
236 1 24 CYS HA 1 28 LYS QB 4.100 3.080 5.120 3.939 3.608 4.212 . 0 0 "[ . 1 . 2]" 1
237 1 25 MET H 1 25 MET HB2 3.700 2.770 4.630 2.656 2.451 2.912 0.319 5 0 "[ . 1 . 2]" 1
238 1 25 MET H 1 25 MET HB3 3.200 2.400 4.000 3.808 3.699 3.927 . 0 0 "[ . 1 . 2]" 1
239 1 25 MET H 1 25 MET QG 4.400 3.290 5.510 3.208 3.086 3.314 0.204 9 0 "[ . 1 . 2]" 1
240 1 25 MET H 1 28 LYS H 3.400 2.890 3.910 3.121 2.816 3.647 0.074 18 0 "[ . 1 . 2]" 1
241 1 25 MET H 1 28 LYS QB 3.200 2.400 4.000 3.765 3.059 3.979 . 0 0 "[ . 1 . 2]" 1
242 1 25 MET HA 1 25 MET HB2 2.600 . 3.250 3.095 3.071 3.114 . 0 0 "[ . 1 . 2]" 1
243 1 25 MET HA 1 25 MET HB3 2.900 2.190 3.610 2.563 2.417 2.658 . 0 0 "[ . 1 . 2]" 1
244 1 25 MET HA 1 25 MET QG 3.600 2.700 4.500 2.784 2.540 3.223 0.160 18 0 "[ . 1 . 2]" 1
245 1 25 MET HA 1 26 ASN H 2.100 . 2.420 2.288 2.098 2.613 0.193 6 0 "[ . 1 . 2]" 1
246 1 25 MET HB2 1 25 MET QG 2.400 . 3.010 2.346 2.177 2.520 . 0 0 "[ . 1 . 2]" 1
247 1 25 MET HB2 1 26 ASN H 4.800 3.600 6.000 4.424 4.205 4.590 . 0 0 "[ . 1 . 2]" 1
248 1 25 MET HB3 1 25 MET QG 2.700 2.030 3.370 2.350 2.173 2.497 . 0 0 "[ . 1 . 2]" 1
249 1 26 ASN H 1 26 ASN HA 2.600 2.210 2.990 2.194 2.152 2.232 0.058 1 0 "[ . 1 . 2]" 1
250 1 26 ASN H 1 26 ASN HB3 4.400 3.300 5.500 3.902 3.786 4.121 . 0 0 "[ . 1 . 2]" 1
251 1 26 ASN H 1 27 ARG H 3.500 2.980 4.020 3.016 2.839 3.580 0.141 20 0 "[ . 1 . 2]" 1
252 1 26 ASN HA 1 26 ASN HB2 2.800 2.100 3.500 2.653 2.477 3.075 . 0 0 "[ . 1 . 2]" 1
253 1 26 ASN HA 1 27 ARG H 3.000 2.550 3.450 2.644 2.353 2.890 0.197 14 0 "[ . 1 . 2]" 1
254 1 26 ASN HA 1 27 ARG QG 3.400 2.550 4.250 3.691 3.372 4.320 0.070 20 0 "[ . 1 . 2]" 1
255 1 26 ASN QD 1 27 ARG QD 4.100 3.080 5.120 4.103 2.830 4.912 0.250 19 0 "[ . 1 . 2]" 1
256 1 27 ARG H 1 27 ARG HA 2.500 2.120 2.880 2.152 2.063 2.239 0.057 14 0 "[ . 1 . 2]" 1
257 1 27 ARG H 1 27 ARG QB 4.200 3.140 5.260 3.454 3.011 3.595 0.129 20 0 "[ . 1 . 2]" 1
258 1 27 ARG H 1 27 ARG QG 3.100 2.320 3.880 2.992 2.476 3.734 . 0 0 "[ . 1 . 2]" 1
259 1 27 ARG H 1 28 LYS H 3.200 2.720 3.680 2.796 2.600 3.319 0.120 18 0 "[ . 1 . 2]" 1
260 1 27 ARG HA 1 27 ARG QB 2.200 2.100 2.760 2.319 2.096 2.403 0.004 20 0 "[ . 1 . 2]" 1
261 1 27 ARG HA 1 27 ARG QG 2.700 2.020 3.380 2.570 2.212 3.446 0.066 20 0 "[ . 1 . 2]" 1
262 1 27 ARG HA 1 28 LYS H 3.000 2.550 3.450 3.195 2.850 3.416 . 0 0 "[ . 1 . 2]" 1
263 1 27 ARG QB 1 27 ARG QG 2.600 . 2.890 2.104 1.964 2.165 . 0 0 "[ . 1 . 2]" 1
264 1 27 ARG QB 1 28 LYS H 4.300 3.230 5.370 3.755 3.079 4.113 0.151 11 0 "[ . 1 . 2]" 1
265 1 27 ARG QD 1 27 ARG HH22 4.300 3.230 5.370 4.285 4.149 4.425 . 0 0 "[ . 1 . 2]" 1
266 1 28 LYS H 1 28 LYS QB 3.600 2.700 4.250 2.505 2.288 2.660 0.412 17 0 "[ . 1 . 2]" 1
267 1 28 LYS H 1 28 LYS QG 4.000 3.000 5.000 3.518 2.905 4.217 0.095 11 0 "[ . 1 . 2]" 1
268 1 28 LYS HA 1 28 LYS QB 2.800 2.550 3.510 2.459 2.399 2.557 0.151 8 0 "[ . 1 . 2]" 1
269 1 28 LYS HA 1 28 LYS QG 3.200 2.390 4.010 2.685 2.403 3.196 . 0 0 "[ . 1 . 2]" 1
270 1 28 LYS HA 1 29 CYS H 2.500 2.120 2.880 2.248 2.145 2.372 . 0 0 "[ . 1 . 2]" 1
271 1 28 LYS QB 1 28 LYS QG 1.800 . 2.250 1.714 1.670 1.779 . 0 0 "[ . 1 . 2]" 1
272 1 28 LYS QB 1 29 CYS H 3.900 2.900 4.900 3.472 2.936 3.949 . 0 0 "[ . 1 . 2]" 1
273 1 29 CYS H 1 29 CYS HA 2.900 2.470 3.330 2.908 2.819 2.966 . 0 0 "[ . 1 . 2]" 1
274 1 29 CYS H 1 29 CYS HB2 2.800 2.110 3.490 2.726 2.208 3.228 . 0 0 "[ . 1 . 2]" 1
275 1 29 CYS H 1 29 CYS HB3 4.200 3.160 5.240 3.672 3.517 3.796 . 0 0 "[ . 1 . 2]" 1
276 1 29 CYS HA 1 29 CYS HB3 2.700 2.040 3.360 2.418 2.181 2.759 . 0 0 "[ . 1 . 2]" 1
277 1 29 CYS HA 1 30 LYS H 2.400 2.040 2.760 2.154 2.057 2.297 . 0 0 "[ . 1 . 2]" 1
278 1 29 CYS HB2 1 30 LYS H 4.800 3.600 6.000 4.153 3.801 4.716 . 0 0 "[ . 1 . 2]" 1
279 1 29 CYS HB3 1 30 LYS H 3.700 2.770 4.630 3.317 2.746 4.061 0.024 10 0 "[ . 1 . 2]" 1
280 1 29 CYS HB3 1 31 CYS H 4.500 3.380 5.620 4.706 3.648 5.542 . 0 0 "[ . 1 . 2]" 1
281 1 30 LYS H 1 30 LYS HB2 3.200 2.400 4.000 2.897 2.388 3.823 0.012 8 0 "[ . 1 . 2]" 1
282 1 30 LYS H 1 30 LYS HB3 4.100 2.500 5.700 3.148 2.376 3.747 0.124 5 0 "[ . 1 . 2]" 1
283 1 30 LYS HB3 1 31 CYS H 4.300 3.230 5.370 4.223 3.658 4.600 . 0 0 "[ . 1 . 2]" 1
284 1 30 LYS QG 1 31 CYS H 4.200 3.150 5.250 4.065 3.077 5.104 0.073 12 0 "[ . 1 . 2]" 1
285 1 31 CYS H 1 31 CYS HA 3.300 2.810 3.790 2.909 2.851 2.995 . 0 0 "[ . 1 . 2]" 1
286 1 31 CYS H 1 31 CYS QB . 2.610 3.500 2.367 2.219 2.612 0.391 5 0 "[ . 1 . 2]" 1
287 1 31 CYS HA 1 31 CYS QB 2.600 . 3.250 2.430 2.315 2.527 . 0 0 "[ . 1 . 2]" 1
288 1 31 CYS HA 1 32 ASN H 2.400 2.040 2.760 2.289 2.013 2.590 0.027 7 0 "[ . 1 . 2]" 1
289 1 31 CYS QB 1 32 ASN H 3.200 2.400 4.000 3.443 3.032 3.798 . 0 0 "[ . 1 . 2]" 1
290 1 32 ASN H 1 32 ASN QB 4.300 3.230 5.370 2.623 2.299 2.814 0.931 20 14 "[******** - ** * *+]" 1
291 1 32 ASN HA 1 32 ASN QB 2.800 2.180 3.500 2.447 2.321 2.625 . 0 0 "[ . 1 . 2]" 1
292 1 32 ASN HA 1 33 ARG H 2.700 2.290 3.110 2.716 2.198 3.154 0.092 20 0 "[ . 1 . 2]" 1
293 1 32 ASN HA 1 33 ARG HB3 3.900 2.930 4.870 4.776 3.997 5.676 0.806 12 3 "[ .* - + . 2]" 1
294 1 32 ASN QB 1 33 ARG H 3.400 3.230 4.240 2.705 2.224 3.200 1.006 7 10 "[ * * +**1 **.* *-]" 1
295 1 33 ARG H 1 33 ARG HA 3.300 2.810 3.790 2.922 2.817 2.998 . 0 0 "[ . 1 . 2]" 1
296 1 33 ARG H 1 33 ARG HB2 3.800 2.840 4.760 3.118 2.417 3.834 0.423 10 0 "[ . 1 . 2]" 1
297 1 33 ARG H 1 33 ARG HB3 3.000 2.250 3.750 2.961 2.292 3.708 . 0 0 "[ . 1 . 2]" 1
298 1 33 ARG HA 1 33 ARG HB2 2.800 2.100 3.500 2.671 2.359 3.021 . 0 0 "[ . 1 . 2]" 1
299 1 33 ARG HA 1 33 ARG HB3 2.900 2.180 3.620 2.712 2.266 3.085 . 0 0 "[ . 1 . 2]" 1
300 1 33 ARG HA 1 34 CYS H 2.600 2.210 2.990 2.377 2.049 2.671 0.161 14 0 "[ . 1 . 2]" 1
301 1 33 ARG HB2 1 33 ARG QG 2.700 2.020 3.380 2.311 2.169 2.571 . 0 0 "[ . 1 . 2]" 1
302 1 33 ARG HB2 1 34 CYS H 3.800 2.860 4.740 3.453 2.671 4.264 0.189 5 0 "[ . 1 . 2]" 1
303 1 33 ARG HB3 1 33 ARG QD 3.200 2.400 4.000 3.397 2.527 3.762 . 0 0 "[ . 1 . 2]" 1
304 1 33 ARG HB3 1 34 CYS H 4.400 3.300 5.500 3.599 2.847 4.109 0.453 6 0 "[ . 1 . 2]" 1
305 1 33 ARG QD 1 33 ARG QG 2.500 . 3.120 2.020 1.984 2.064 . 0 0 "[ . 1 . 2]" 1
306 1 34 CYS H 1 34 CYS HB3 3.200 2.400 4.000 3.109 2.580 3.531 . 0 0 "[ . 1 . 2]" 1
307 1 34 CYS HA 1 34 CYS HB2 2.600 . 3.250 2.516 2.346 2.670 . 0 0 "[ . 1 . 2]" 1
308 1 34 CYS HA 1 34 CYS HB3 3.100 2.320 3.880 2.430 2.286 2.595 0.034 1 0 "[ . 1 . 2]" 1
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