NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564468 |
2m9w   |
19312 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9w
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 504
_Distance_constraint_stats_list.Viol_count 404
_Distance_constraint_stats_list.Viol_total 589.043
_Distance_constraint_stats_list.Viol_max 0.372
_Distance_constraint_stats_list.Viol_rms 0.0180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0729
_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 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.247 0.093 1 0 "[ . 1 . 2]"
1 12 SER 2.839 0.217 17 0 "[ . 1 . 2]"
1 13 CYS 2.123 0.372 17 0 "[ . 1 . 2]"
1 14 ALA 1.346 0.190 1 0 "[ . 1 . 2]"
1 15 ASN 2.849 0.127 1 0 "[ . 1 . 2]"
1 16 CYS 0.758 0.229 17 0 "[ . 1 . 2]"
1 17 GLN 1.998 0.372 17 0 "[ . 1 . 2]"
1 18 THR 1.681 0.130 16 0 "[ . 1 . 2]"
1 19 THR 2.588 0.190 16 0 "[ . 1 . 2]"
1 20 THR 0.133 0.053 4 0 "[ . 1 . 2]"
1 21 THR 0.973 0.130 16 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.307 0.187 9 0 "[ . 1 . 2]"
1 24 TRP 2.202 0.187 9 0 "[ . 1 . 2]"
1 25 ARG 0.291 0.118 17 0 "[ . 1 . 2]"
1 26 ARG 0.826 0.249 14 0 "[ . 1 . 2]"
1 27 ASN 1.256 0.179 8 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.322 0.152 13 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 1.419 0.115 8 0 "[ . 1 . 2]"
1 32 PRO 2.180 0.190 1 0 "[ . 1 . 2]"
1 33 VAL 1.505 0.249 14 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.173 0.120 17 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 0.146 0.062 7 0 "[ . 1 . 2]"
1 38 GLY 0.585 0.109 6 0 "[ . 1 . 2]"
1 39 LEU 1.898 0.275 9 0 "[ . 1 . 2]"
1 40 TYR 3.667 0.252 4 0 "[ . 1 . 2]"
1 41 MET 2.843 0.253 18 0 "[ . 1 . 2]"
1 42 LYS 0.159 0.080 8 0 "[ . 1 . 2]"
1 43 LEU 2.714 0.104 19 0 "[ . 1 . 2]"
1 44 HIS 1.483 0.104 19 0 "[ . 1 . 2]"
1 45 GLY 0.110 0.103 8 0 "[ . 1 . 2]"
1 46 VAL 2.726 0.253 18 0 "[ . 1 . 2]"
1 47 PRO 0.238 0.078 5 0 "[ . 1 . 2]"
1 48 ARG 4.718 0.258 1 0 "[ . 1 . 2]"
1 49 PRO 1.620 0.258 1 0 "[ . 1 . 2]"
1 50 LEU 0.916 0.119 1 0 "[ . 1 . 2]"
1 52 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ARG 0.027 0.027 8 0 "[ . 1 . 2]"
1 54 LYS 0.027 0.027 8 0 "[ . 1 . 2]"
1 57 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.003 0.003 19 0 "[ . 1 . 2]"
1 59 THR 0.044 0.031 6 0 "[ . 1 . 2]"
1 60 ARG 1.738 0.236 2 0 "[ . 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 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 8 ARG HA 1 9 VAL MG2 4.840 . 4.840 3.829 3.323 4.643 . 0 0 "[ . 1 . 2]" 1
2 1 9 VAL HA 1 9 VAL MG1 3.650 . 3.650 2.449 2.405 2.486 . 0 0 "[ . 1 . 2]" 1
3 1 9 VAL MG1 1 10 GLY QA 4.490 . 4.490 3.606 2.912 4.286 . 0 0 "[ . 1 . 2]" 1
4 1 10 GLY QA 1 11 LEU H 3.520 . 3.520 2.331 2.109 2.911 . 0 0 "[ . 1 . 2]" 1
5 1 11 LEU H 1 11 LEU HB2 4.340 . 4.340 2.765 2.412 3.636 . 0 0 "[ . 1 . 2]" 1
6 1 11 LEU H 1 11 LEU QB 3.690 . 3.690 2.687 2.379 3.416 . 0 0 "[ . 1 . 2]" 1
7 1 11 LEU H 1 11 LEU HB3 4.340 . 4.340 3.786 3.614 4.148 . 0 0 "[ . 1 . 2]" 1
8 1 11 LEU H 1 11 LEU MD1 4.950 . 4.950 4.072 3.678 4.593 . 0 0 "[ . 1 . 2]" 1
9 1 11 LEU H 1 11 LEU HG 4.110 . 4.110 2.894 2.346 3.594 . 0 0 "[ . 1 . 2]" 1
10 1 11 LEU HA 1 11 LEU MD1 4.430 . 4.430 3.938 3.863 3.974 . 0 0 "[ . 1 . 2]" 1
11 1 11 LEU HA 1 11 LEU MD2 3.520 . 3.520 2.097 1.937 2.172 . 0 0 "[ . 1 . 2]" 1
12 1 11 LEU HA 1 12 SER H 3.160 . 3.160 2.400 2.103 2.910 . 0 0 "[ . 1 . 2]" 1
13 1 11 LEU QB 1 24 TRP HZ2 4.470 . 4.470 3.329 2.703 3.978 . 0 0 "[ . 1 . 2]" 1
14 1 11 LEU MD1 1 12 SER H 5.210 . 5.210 4.567 3.994 5.229 0.019 6 0 "[ . 1 . 2]" 1
15 1 11 LEU MD1 1 24 TRP HB3 4.800 . 4.800 3.344 2.378 3.815 . 0 0 "[ . 1 . 2]" 1
16 1 11 LEU MD1 1 24 TRP HD1 4.560 . 4.560 3.769 2.937 4.653 0.093 1 0 "[ . 1 . 2]" 1
17 1 11 LEU MD1 1 24 TRP HE1 4.830 . 4.830 4.047 3.175 4.705 . 0 0 "[ . 1 . 2]" 1
18 1 11 LEU MD1 1 24 TRP HE3 5.630 . 5.630 4.107 3.415 4.548 . 0 0 "[ . 1 . 2]" 1
19 1 11 LEU MD1 1 32 PRO HB2 4.470 . 4.470 2.746 2.291 3.612 . 0 0 "[ . 1 . 2]" 1
20 1 11 LEU MD1 1 32 PRO QB 3.870 . 3.870 2.412 1.973 3.346 . 0 0 "[ . 1 . 2]" 1
21 1 11 LEU MD1 1 32 PRO HB3 4.470 . 4.470 2.740 2.054 4.020 . 0 0 "[ . 1 . 2]" 1
22 1 11 LEU MD1 1 32 PRO HG2 4.730 . 4.730 3.715 2.306 4.795 0.065 6 0 "[ . 1 . 2]" 1
23 1 11 LEU MD1 1 32 PRO HG3 4.730 . 4.730 3.236 2.420 4.319 . 0 0 "[ . 1 . 2]" 1
24 1 11 LEU MD2 1 12 SER H 4.260 . 4.260 3.461 3.253 3.734 . 0 0 "[ . 1 . 2]" 1
25 1 11 LEU MD2 1 32 PRO HB2 4.460 . 4.460 3.658 2.858 4.192 . 0 0 "[ . 1 . 2]" 1
26 1 11 LEU MD2 1 32 PRO HB3 4.460 . 4.460 3.820 2.874 4.492 0.032 3 0 "[ . 1 . 2]" 1
27 1 11 LEU MD2 1 32 PRO HG2 4.260 . 4.260 3.278 2.653 3.881 . 0 0 "[ . 1 . 2]" 1
28 1 11 LEU MD2 1 32 PRO HG3 4.260 . 4.260 2.882 1.832 4.235 . 0 0 "[ . 1 . 2]" 1
29 1 12 SER H 1 12 SER QB 3.890 . 3.890 2.763 2.560 3.102 . 0 0 "[ . 1 . 2]" 1
30 1 12 SER H 1 32 PRO QG 4.740 . 4.740 3.968 3.162 4.767 0.027 11 0 "[ . 1 . 2]" 1
31 1 12 SER HA 1 13 CYS H 3.190 . 3.190 2.236 2.155 2.309 . 0 0 "[ . 1 . 2]" 1
32 1 12 SER HA 1 19 THR MG 3.770 . 3.770 2.593 2.029 3.296 . 0 0 "[ . 1 . 2]" 1
33 1 12 SER HA 1 24 TRP HH2 3.590 . 3.590 2.411 1.943 2.829 . 0 0 "[ . 1 . 2]" 1
34 1 12 SER HA 1 24 TRP HZ2 4.470 . 4.470 4.056 3.396 4.482 0.012 17 0 "[ . 1 . 2]" 1
35 1 12 SER QB 1 19 THR HA 4.290 . 4.290 4.122 3.423 4.418 0.128 15 0 "[ . 1 . 2]" 1
36 1 12 SER QB 1 19 THR MG 3.290 . 3.290 2.823 2.217 3.168 . 0 0 "[ . 1 . 2]" 1
37 1 12 SER QB 1 24 TRP HH2 5.370 . 5.370 4.345 3.976 4.742 . 0 0 "[ . 1 . 2]" 1
38 1 12 SER HB2 1 13 CYS H 4.220 . 4.220 3.871 2.887 4.212 . 0 0 "[ . 1 . 2]" 1
39 1 12 SER HB2 1 17 GLN HA 4.550 . 4.550 3.935 2.633 4.767 0.217 17 0 "[ . 1 . 2]" 1
40 1 12 SER HB2 1 19 THR MG 3.790 . 3.790 3.797 2.921 3.980 0.190 16 0 "[ . 1 . 2]" 1
41 1 12 SER HB3 1 13 CYS H 4.220 . 4.220 3.238 2.895 4.086 . 0 0 "[ . 1 . 2]" 1
42 1 12 SER HB3 1 17 GLN HA 4.550 . 4.550 3.146 2.424 4.591 0.041 14 0 "[ . 1 . 2]" 1
43 1 12 SER HB3 1 19 THR MG 3.790 . 3.790 2.917 2.297 3.332 . 0 0 "[ . 1 . 2]" 1
44 1 13 CYS H 1 13 CYS HB2 3.640 . 3.640 2.491 2.402 2.564 . 0 0 "[ . 1 . 2]" 1
45 1 13 CYS H 1 13 CYS HB3 3.310 . 3.310 2.539 2.413 2.629 . 0 0 "[ . 1 . 2]" 1
46 1 13 CYS H 1 17 GLN H 4.880 . 4.880 4.126 3.363 4.765 . 0 0 "[ . 1 . 2]" 1
47 1 13 CYS H 1 17 GLN HA 4.370 . 4.370 3.256 2.396 3.766 . 0 0 "[ . 1 . 2]" 1
48 1 13 CYS H 1 18 THR H 4.260 . 4.260 3.226 1.986 3.818 . 0 0 "[ . 1 . 2]" 1
49 1 13 CYS H 1 18 THR MG 4.110 . 4.110 3.507 2.961 3.793 . 0 0 "[ . 1 . 2]" 1
50 1 13 CYS H 1 24 TRP HH2 3.920 . 3.920 2.529 2.430 2.632 . 0 0 "[ . 1 . 2]" 1
51 1 13 CYS H 1 24 TRP HZ2 4.860 . 4.860 4.910 4.620 5.012 0.152 20 0 "[ . 1 . 2]" 1
52 1 13 CYS H 1 24 TRP HZ3 4.640 . 4.640 2.933 2.395 3.573 . 0 0 "[ . 1 . 2]" 1
53 1 13 CYS HA 1 14 ALA H 3.270 . 3.270 2.165 2.117 2.196 . 0 0 "[ . 1 . 2]" 1
54 1 13 CYS HA 1 14 ALA MB 4.580 . 4.580 4.020 3.970 4.076 . 0 0 "[ . 1 . 2]" 1
55 1 13 CYS HA 1 24 TRP HZ3 4.170 . 4.170 2.127 1.829 2.348 . 0 0 "[ . 1 . 2]" 1
56 1 13 CYS HA 1 33 VAL HA 3.550 . 3.550 2.203 1.879 2.493 . 0 0 "[ . 1 . 2]" 1
57 1 13 CYS HA 1 33 VAL MG1 4.820 . 4.820 3.772 3.308 4.154 . 0 0 "[ . 1 . 2]" 1
58 1 13 CYS HA 1 34 CYS H 4.580 . 4.580 3.095 2.887 3.354 . 0 0 "[ . 1 . 2]" 1
59 1 13 CYS HB2 1 17 GLN H 4.250 . 4.250 4.049 3.499 4.622 0.372 17 0 "[ . 1 . 2]" 1
60 1 13 CYS HB2 1 18 THR H 4.000 . 4.000 3.217 2.541 3.735 . 0 0 "[ . 1 . 2]" 1
61 1 13 CYS HB2 1 18 THR MG 3.310 . 3.310 2.440 2.022 2.944 . 0 0 "[ . 1 . 2]" 1
62 1 13 CYS HB2 1 24 TRP HH2 4.850 . 4.850 3.622 3.269 3.956 . 0 0 "[ . 1 . 2]" 1
63 1 13 CYS HB2 1 24 TRP HZ3 4.330 . 4.330 2.849 2.173 3.253 . 0 0 "[ . 1 . 2]" 1
64 1 13 CYS HB2 1 33 VAL HA 4.870 . 4.870 3.708 3.401 4.059 . 0 0 "[ . 1 . 2]" 1
65 1 13 CYS HB2 1 34 CYS H 4.120 . 4.120 2.727 2.437 3.212 . 0 0 "[ . 1 . 2]" 1
66 1 13 CYS HB3 1 15 ASN H 3.990 . 3.990 3.828 3.599 4.085 0.095 17 0 "[ . 1 . 2]" 1
67 1 13 CYS HB3 1 16 CYS H 3.920 . 3.920 2.942 2.510 3.614 . 0 0 "[ . 1 . 2]" 1
68 1 13 CYS HB3 1 16 CYS QB 5.610 . 5.610 4.183 2.328 4.634 . 0 0 "[ . 1 . 2]" 1
69 1 13 CYS HB3 1 17 GLN H 3.490 . 3.490 2.329 1.768 2.892 . 0 0 "[ . 1 . 2]" 1
70 1 13 CYS HB3 1 17 GLN HA 3.840 . 3.840 3.019 2.236 3.401 . 0 0 "[ . 1 . 2]" 1
71 1 13 CYS HB3 1 17 GLN QB 5.610 . 5.610 4.639 4.217 4.952 . 0 0 "[ . 1 . 2]" 1
72 1 13 CYS HB3 1 18 THR H 3.620 . 3.620 2.166 1.726 2.752 . 0 0 "[ . 1 . 2]" 1
73 1 13 CYS HB3 1 18 THR MG 3.590 . 3.590 2.634 2.323 3.014 . 0 0 "[ . 1 . 2]" 1
74 1 13 CYS HB3 1 24 TRP HH2 5.780 . 5.780 4.611 4.336 4.840 . 0 0 "[ . 1 . 2]" 1
75 1 13 CYS HB3 1 34 CYS QB 5.610 . 5.610 3.851 3.513 4.294 . 0 0 "[ . 1 . 2]" 1
76 1 13 CYS SG 1 16 CYS SG 5.250 . 5.250 3.000 2.850 3.537 . 0 0 "[ . 1 . 2]" 1
77 1 13 CYS SG 1 34 CYS SG 5.250 . 5.250 3.206 2.974 3.470 . 0 0 "[ . 1 . 2]" 1
78 1 13 CYS SG 1 37 CYS SG 5.250 . 5.250 3.164 2.818 4.012 . 0 0 "[ . 1 . 2]" 1
79 1 14 ALA H 1 14 ALA MB 3.140 . 3.140 2.250 2.219 2.287 . 0 0 "[ . 1 . 2]" 1
80 1 14 ALA H 1 15 ASN H 3.760 . 3.760 3.121 2.648 3.635 . 0 0 "[ . 1 . 2]" 1
81 1 14 ALA H 1 33 VAL HA 3.950 . 3.950 2.427 1.896 2.932 . 0 0 "[ . 1 . 2]" 1
82 1 14 ALA H 1 33 VAL MG1 3.990 . 3.990 2.715 2.314 3.302 . 0 0 "[ . 1 . 2]" 1
83 1 14 ALA MB 1 15 ASN H 3.850 . 3.850 3.359 2.847 3.733 . 0 0 "[ . 1 . 2]" 1
84 1 14 ALA MB 1 15 ASN HA 4.460 . 4.460 4.331 4.035 4.587 0.127 1 0 "[ . 1 . 2]" 1
85 1 14 ALA MB 1 27 ASN HD21 3.920 . 3.920 3.291 2.576 3.864 . 0 0 "[ . 1 . 2]" 1
86 1 14 ALA MB 1 27 ASN HD22 3.900 . 3.900 3.042 2.296 3.676 . 0 0 "[ . 1 . 2]" 1
87 1 14 ALA MB 1 31 GLU H 5.350 . 5.350 4.655 4.418 4.983 . 0 0 "[ . 1 . 2]" 1
88 1 14 ALA MB 1 31 GLU HB2 3.590 . 3.590 2.683 2.430 3.021 . 0 0 "[ . 1 . 2]" 1
89 1 14 ALA MB 1 31 GLU HB3 3.380 . 3.380 2.167 1.968 2.469 . 0 0 "[ . 1 . 2]" 1
90 1 14 ALA MB 1 31 GLU HG2 4.600 . 4.600 4.256 4.097 4.527 . 0 0 "[ . 1 . 2]" 1
91 1 14 ALA MB 1 31 GLU QG 3.720 . 3.720 3.152 2.939 3.420 . 0 0 "[ . 1 . 2]" 1
92 1 14 ALA MB 1 31 GLU HG3 4.600 . 4.600 3.249 3.007 3.540 . 0 0 "[ . 1 . 2]" 1
93 1 14 ALA MB 1 32 PRO QD 4.190 . 4.190 2.880 2.379 3.425 . 0 0 "[ . 1 . 2]" 1
94 1 14 ALA MB 1 32 PRO QG 4.170 . 4.170 3.683 3.056 4.360 0.190 1 0 "[ . 1 . 2]" 1
95 1 14 ALA MB 1 33 VAL HA 4.460 . 4.460 3.735 3.258 4.237 . 0 0 "[ . 1 . 2]" 1
96 1 14 ALA MB 1 33 VAL MG1 3.210 . 3.210 2.402 2.129 2.800 . 0 0 "[ . 1 . 2]" 1
97 1 15 ASN H 1 15 ASN HB2 3.680 . 3.680 3.178 2.445 3.712 0.032 12 0 "[ . 1 . 2]" 1
98 1 15 ASN H 1 15 ASN HB3 4.060 . 4.060 2.832 2.360 3.324 . 0 0 "[ . 1 . 2]" 1
99 1 15 ASN H 1 16 CYS H 3.350 . 3.350 2.500 1.982 2.958 . 0 0 "[ . 1 . 2]" 1
100 1 15 ASN H 1 17 GLN H 4.430 . 4.430 3.105 2.433 4.492 0.062 17 0 "[ . 1 . 2]" 1
101 1 15 ASN H 1 17 GLN QG 4.890 . 4.890 4.226 2.733 4.992 0.102 11 0 "[ . 1 . 2]" 1
102 1 15 ASN H 1 33 VAL HA 4.730 . 4.730 4.153 3.180 4.798 0.068 2 0 "[ . 1 . 2]" 1
103 1 15 ASN H 1 33 VAL MG1 3.790 . 3.790 3.105 2.214 3.865 0.075 14 0 "[ . 1 . 2]" 1
104 1 15 ASN HB2 1 16 CYS H 4.320 . 4.320 3.748 3.535 3.907 . 0 0 "[ . 1 . 2]" 1
105 1 15 ASN HB2 1 33 VAL MG1 4.400 . 4.400 2.672 2.056 3.218 . 0 0 "[ . 1 . 2]" 1
106 1 15 ASN HB3 1 15 ASN HD22 4.040 . 4.040 3.553 3.470 3.818 . 0 0 "[ . 1 . 2]" 1
107 1 15 ASN HB3 1 16 CYS H 4.050 . 4.050 2.329 1.988 2.510 . 0 0 "[ . 1 . 2]" 1
108 1 15 ASN HD21 1 16 CYS QB 4.630 . 4.630 2.525 1.899 3.769 . 0 0 "[ . 1 . 2]" 1
109 1 15 ASN HD21 1 48 ARG HB2 4.600 . 4.600 4.085 2.666 4.697 0.097 8 0 "[ . 1 . 2]" 1
110 1 15 ASN HD21 1 48 ARG HB3 4.150 . 4.150 3.514 2.706 4.254 0.104 14 0 "[ . 1 . 2]" 1
111 1 15 ASN HD21 1 50 LEU MD1 5.510 . 5.510 3.892 2.321 5.135 . 0 0 "[ . 1 . 2]" 1
112 1 15 ASN HD21 1 50 LEU MD2 4.810 . 4.810 3.687 2.397 4.696 . 0 0 "[ . 1 . 2]" 1
113 1 15 ASN HD22 1 48 ARG H 4.460 . 4.460 3.108 2.080 3.822 . 0 0 "[ . 1 . 2]" 1
114 1 15 ASN HD22 1 48 ARG HB2 5.040 . 5.040 3.491 1.767 4.723 . 0 0 "[ . 1 . 2]" 1
115 1 15 ASN HD22 1 48 ARG HB3 3.740 . 3.740 2.766 1.747 3.647 . 0 0 "[ . 1 . 2]" 1
116 1 15 ASN HD22 1 50 LEU MD1 4.800 . 4.800 4.023 2.605 4.871 0.071 2 0 "[ . 1 . 2]" 1
117 1 15 ASN HD22 1 50 LEU MD2 4.620 . 4.620 3.396 2.227 4.515 . 0 0 "[ . 1 . 2]" 1
118 1 16 CYS H 1 16 CYS HB2 4.180 . 4.180 3.678 2.522 3.834 . 0 0 "[ . 1 . 2]" 1
119 1 16 CYS H 1 16 CYS QB 3.620 . 3.620 2.846 2.481 3.074 . 0 0 "[ . 1 . 2]" 1
120 1 16 CYS H 1 16 CYS HB3 4.180 . 4.180 3.013 2.714 3.676 . 0 0 "[ . 1 . 2]" 1
121 1 16 CYS H 1 17 GLN H 3.290 . 3.290 2.274 1.860 3.312 0.022 17 0 "[ . 1 . 2]" 1
122 1 16 CYS H 1 17 GLN HA 4.590 . 4.590 4.413 4.046 4.819 0.229 17 0 "[ . 1 . 2]" 1
123 1 16 CYS H 1 50 LEU MD2 5.470 . 5.470 4.900 3.721 5.589 0.119 1 0 "[ . 1 . 2]" 1
124 1 16 CYS HA 1 50 LEU MD1 3.590 . 3.590 2.034 1.593 2.879 . 0 0 "[ . 1 . 2]" 1
125 1 16 CYS HA 1 50 LEU MD2 4.080 . 4.080 3.061 1.993 4.102 0.022 13 0 "[ . 1 . 2]" 1
126 1 16 CYS HB2 1 50 LEU MD1 4.550 . 4.550 3.374 1.942 4.589 0.039 18 0 "[ . 1 . 2]" 1
127 1 16 CYS HB2 1 50 LEU MD2 4.020 . 4.020 3.229 2.403 4.028 0.008 18 0 "[ . 1 . 2]" 1
128 1 16 CYS HB3 1 50 LEU MD1 4.550 . 4.550 3.223 2.109 4.413 . 0 0 "[ . 1 . 2]" 1
129 1 16 CYS HB3 1 50 LEU MD2 4.020 . 4.020 2.852 2.009 3.707 . 0 0 "[ . 1 . 2]" 1
130 1 16 CYS SG 1 34 CYS SG 5.250 . 5.250 3.225 3.035 3.611 . 0 0 "[ . 1 . 2]" 1
131 1 16 CYS SG 1 37 CYS SG 5.250 . 5.250 3.059 2.788 3.485 . 0 0 "[ . 1 . 2]" 1
132 1 17 GLN H 1 17 GLN HA 2.920 . 2.920 2.270 2.219 2.530 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLN H 1 17 GLN QG 3.790 . 3.790 2.724 1.803 2.972 . 0 0 "[ . 1 . 2]" 1
134 1 17 GLN H 1 18 THR H 3.910 . 3.910 2.965 2.636 3.937 0.027 13 0 "[ . 1 . 2]" 1
135 1 17 GLN HA 1 17 GLN QE 4.840 . 4.840 4.349 2.301 4.925 0.085 6 0 "[ . 1 . 2]" 1
136 1 17 GLN HA 1 17 GLN QG 3.610 . 3.610 2.536 2.392 2.912 . 0 0 "[ . 1 . 2]" 1
137 1 18 THR H 1 18 THR HB 3.540 . 3.540 2.849 2.597 3.374 . 0 0 "[ . 1 . 2]" 1
138 1 18 THR H 1 18 THR MG 3.390 . 3.390 2.188 1.950 2.487 . 0 0 "[ . 1 . 2]" 1
139 1 18 THR HA 1 19 THR H 3.340 . 3.340 2.430 2.138 3.444 0.104 10 0 "[ . 1 . 2]" 1
140 1 18 THR HA 1 19 THR MG 4.430 . 4.430 3.742 3.336 4.165 . 0 0 "[ . 1 . 2]" 1
141 1 18 THR HA 1 20 THR H 4.410 . 4.410 3.805 3.480 4.440 0.030 10 0 "[ . 1 . 2]" 1
142 1 18 THR MG 1 19 THR H 4.430 . 4.430 3.620 2.436 4.079 . 0 0 "[ . 1 . 2]" 1
143 1 18 THR MG 1 19 THR HA 4.890 . 4.890 4.155 3.688 4.556 . 0 0 "[ . 1 . 2]" 1
144 1 18 THR MG 1 20 THR H 3.710 . 3.710 3.310 1.899 3.763 0.053 4 0 "[ . 1 . 2]" 1
145 1 18 THR MG 1 21 THR H 5.000 . 5.000 4.727 3.192 5.098 0.098 9 0 "[ . 1 . 2]" 1
146 1 18 THR MG 1 21 THR HA 5.200 . 5.200 4.751 3.988 5.330 0.130 16 0 "[ . 1 . 2]" 1
147 1 18 THR MG 1 21 THR HB 4.150 . 4.150 3.160 2.379 3.692 . 0 0 "[ . 1 . 2]" 1
148 1 18 THR MG 1 21 THR MG 4.640 . 4.640 3.425 2.642 4.310 . 0 0 "[ . 1 . 2]" 1
149 1 18 THR MG 1 24 TRP HH2 4.070 . 4.070 3.862 2.536 4.154 0.084 9 0 "[ . 1 . 2]" 1
150 1 18 THR MG 1 24 TRP HZ3 4.780 . 4.780 4.347 3.447 4.772 . 0 0 "[ . 1 . 2]" 1
151 1 18 THR MG 1 34 CYS H 4.700 . 4.700 4.081 3.821 4.580 . 0 0 "[ . 1 . 2]" 1
152 1 18 THR MG 1 34 CYS QB 3.390 . 3.390 2.383 2.130 2.812 . 0 0 "[ . 1 . 2]" 1
153 1 19 THR H 1 19 THR MG 3.930 . 3.930 2.633 2.272 2.851 . 0 0 "[ . 1 . 2]" 1
154 1 19 THR HA 1 19 THR MG 3.310 . 3.310 2.394 2.333 2.483 . 0 0 "[ . 1 . 2]" 1
155 1 19 THR HA 1 24 TRP HH2 3.830 . 3.830 2.512 1.936 3.276 . 0 0 "[ . 1 . 2]" 1
156 1 19 THR HA 1 24 TRP HZ2 3.900 . 3.900 3.065 2.590 3.624 . 0 0 "[ . 1 . 2]" 1
157 1 20 THR H 1 20 THR HB 4.030 . 4.030 3.158 2.536 3.849 . 0 0 "[ . 1 . 2]" 1
158 1 20 THR H 1 20 THR MG 4.110 . 4.110 2.830 1.908 3.868 . 0 0 "[ . 1 . 2]" 1
159 1 20 THR HA 1 20 THR MG 3.570 . 3.570 2.738 2.338 3.278 . 0 0 "[ . 1 . 2]" 1
160 1 20 THR HB 1 21 THR H 4.840 . 4.840 4.164 3.081 4.510 . 0 0 "[ . 1 . 2]" 1
161 1 20 THR MG 1 21 THR H 5.320 . 5.320 3.901 2.974 4.363 . 0 0 "[ . 1 . 2]" 1
162 1 21 THR H 1 21 THR MG 4.750 . 4.750 2.586 2.011 2.819 . 0 0 "[ . 1 . 2]" 1
163 1 21 THR HB 1 34 CYS HA 4.660 . 4.660 3.813 3.214 4.383 . 0 0 "[ . 1 . 2]" 1
164 1 21 THR HB 1 34 CYS HB2 4.470 . 4.470 2.664 2.220 3.474 . 0 0 "[ . 1 . 2]" 1
165 1 21 THR HB 1 34 CYS QB 3.680 . 3.680 2.512 2.124 2.905 . 0 0 "[ . 1 . 2]" 1
166 1 21 THR HB 1 34 CYS HB3 4.470 . 4.470 3.197 2.707 3.746 . 0 0 "[ . 1 . 2]" 1
167 1 21 THR MG 1 24 TRP HD1 4.470 . 4.470 4.105 3.444 4.596 0.126 19 0 "[ . 1 . 2]" 1
168 1 21 THR MG 1 24 TRP HE1 4.550 . 4.550 3.474 3.008 3.822 . 0 0 "[ . 1 . 2]" 1
169 1 21 THR MG 1 24 TRP HZ2 4.730 . 4.730 3.081 2.733 3.309 . 0 0 "[ . 1 . 2]" 1
170 1 21 THR MG 1 34 CYS HA 3.940 . 3.940 2.148 1.662 2.893 . 0 0 "[ . 1 . 2]" 1
171 1 21 THR MG 1 34 CYS QB 4.940 . 4.940 2.460 2.029 3.171 . 0 0 "[ . 1 . 2]" 1
172 1 22 THR HA 1 22 THR MG 3.150 . 3.150 2.401 2.329 2.482 . 0 0 "[ . 1 . 2]" 1
173 1 23 LEU HA 1 23 LEU MD1 3.360 . 3.360 2.150 2.075 2.235 . 0 0 "[ . 1 . 2]" 1
174 1 23 LEU HA 1 23 LEU MD2 4.600 . 4.600 3.920 3.232 3.988 . 0 0 "[ . 1 . 2]" 1
175 1 23 LEU HA 1 23 LEU HG 4.090 . 4.090 3.216 3.095 3.732 . 0 0 "[ . 1 . 2]" 1
176 1 23 LEU HA 1 24 TRP H 3.060 . 3.060 2.190 2.118 2.393 . 0 0 "[ . 1 . 2]" 1
177 1 23 LEU QB 1 23 LEU MD2 3.150 . 3.150 2.153 2.136 2.270 . 0 0 "[ . 1 . 2]" 1
178 1 23 LEU QB 1 24 TRP H 4.300 . 4.300 3.814 2.231 4.049 . 0 0 "[ . 1 . 2]" 1
179 1 23 LEU QB 1 35 ASN HB2 4.270 . 4.270 2.530 1.746 4.390 0.120 17 0 "[ . 1 . 2]" 1
180 1 23 LEU QB 1 35 ASN QB 3.690 . 3.690 2.182 1.696 3.360 . 0 0 "[ . 1 . 2]" 1
181 1 23 LEU QB 1 35 ASN HB3 4.270 . 4.270 3.277 1.704 4.190 . 0 0 "[ . 1 . 2]" 1
182 1 23 LEU MD1 1 24 TRP H 3.900 . 3.900 2.801 2.102 3.555 . 0 0 "[ . 1 . 2]" 1
183 1 23 LEU HG 1 24 TRP H 4.180 . 4.180 3.636 2.822 4.367 0.187 9 0 "[ . 1 . 2]" 1
184 1 24 TRP H 1 24 TRP HB2 3.460 . 3.460 2.442 2.402 2.563 . 0 0 "[ . 1 . 2]" 1
185 1 24 TRP H 1 24 TRP HB3 3.950 . 3.950 3.654 3.620 3.741 . 0 0 "[ . 1 . 2]" 1
186 1 24 TRP H 1 24 TRP HD1 3.850 . 3.850 3.268 2.839 3.698 . 0 0 "[ . 1 . 2]" 1
187 1 24 TRP HA 1 24 TRP HE3 4.010 . 4.010 2.663 2.339 3.165 . 0 0 "[ . 1 . 2]" 1
188 1 24 TRP HA 1 25 ARG H 3.430 . 3.430 2.182 2.113 2.349 . 0 0 "[ . 1 . 2]" 1
189 1 24 TRP HA 1 25 ARG QG 5.190 . 5.190 4.088 3.548 4.697 . 0 0 "[ . 1 . 2]" 1
190 1 24 TRP HA 1 34 CYS HA 4.240 . 4.240 3.099 2.737 3.412 . 0 0 "[ . 1 . 2]" 1
191 1 24 TRP HB2 1 24 TRP HD1 3.630 . 3.630 2.639 2.575 2.711 . 0 0 "[ . 1 . 2]" 1
192 1 24 TRP HB3 1 24 TRP HD1 4.080 . 4.080 3.746 3.646 3.844 . 0 0 "[ . 1 . 2]" 1
193 1 24 TRP HB3 1 24 TRP HE3 4.030 . 4.030 2.753 2.569 2.926 . 0 0 "[ . 1 . 2]" 1
194 1 24 TRP HB3 1 25 ARG H 4.600 . 4.600 3.655 2.458 4.076 . 0 0 "[ . 1 . 2]" 1
195 1 24 TRP HE3 1 25 ARG H 4.400 . 4.400 3.719 2.636 4.345 . 0 0 "[ . 1 . 2]" 1
196 1 24 TRP HE3 1 32 PRO HB2 4.540 . 4.540 3.136 2.515 3.976 . 0 0 "[ . 1 . 2]" 1
197 1 24 TRP HE3 1 32 PRO HB3 4.540 . 4.540 4.226 3.734 4.599 0.059 8 0 "[ . 1 . 2]" 1
198 1 24 TRP HE3 1 33 VAL H 4.370 . 4.370 3.870 3.318 4.271 . 0 0 "[ . 1 . 2]" 1
199 1 24 TRP HZ3 1 33 VAL HA 4.870 . 4.870 3.371 3.057 3.783 . 0 0 "[ . 1 . 2]" 1
200 1 25 ARG H 1 25 ARG HB2 4.400 . 4.400 2.599 2.329 3.751 . 0 0 "[ . 1 . 2]" 1
201 1 25 ARG H 1 33 VAL H 4.660 . 4.660 3.904 3.240 4.404 . 0 0 "[ . 1 . 2]" 1
202 1 25 ARG H 1 33 VAL MG2 4.880 . 4.880 3.418 3.252 3.785 . 0 0 "[ . 1 . 2]" 1
203 1 25 ARG HA 1 26 ARG H 3.710 . 3.710 2.499 2.289 2.660 . 0 0 "[ . 1 . 2]" 1
204 1 25 ARG HB2 1 25 ARG QD 3.910 . 3.910 2.663 2.471 3.541 . 0 0 "[ . 1 . 2]" 1
205 1 25 ARG HB2 1 26 ARG H 3.990 . 3.990 3.445 2.182 3.863 . 0 0 "[ . 1 . 2]" 1
206 1 25 ARG HB2 1 33 VAL MG2 3.540 . 3.540 2.432 1.921 3.610 0.070 17 0 "[ . 1 . 2]" 1
207 1 25 ARG HB3 1 26 ARG H 3.500 . 3.500 2.394 2.047 3.505 0.005 17 0 "[ . 1 . 2]" 1
208 1 25 ARG HB3 1 33 VAL MG2 4.220 . 4.220 3.405 2.969 4.338 0.118 17 0 "[ . 1 . 2]" 1
209 1 25 ARG QD 1 33 VAL MG2 4.700 . 4.700 3.880 3.041 4.553 . 0 0 "[ . 1 . 2]" 1
210 1 25 ARG QD 1 35 ASN HA 3.850 . 3.850 2.743 1.810 3.734 . 0 0 "[ . 1 . 2]" 1
211 1 25 ARG QD 1 38 GLY QA 3.480 . 3.480 2.277 1.728 3.398 . 0 0 "[ . 1 . 2]" 1
212 1 25 ARG QD 1 39 LEU H 4.790 . 4.790 3.615 2.803 4.687 . 0 0 "[ . 1 . 2]" 1
213 1 25 ARG QG 1 33 VAL MG2 4.500 . 4.500 3.906 1.719 4.598 0.098 1 0 "[ . 1 . 2]" 1
214 1 25 ARG QG 1 35 ASN HA 4.600 . 4.600 2.843 1.956 4.414 . 0 0 "[ . 1 . 2]" 1
215 1 26 ARG H 1 26 ARG QB 3.550 . 3.550 2.578 2.387 2.803 . 0 0 "[ . 1 . 2]" 1
216 1 26 ARG H 1 26 ARG QG 4.950 . 4.950 3.209 2.538 4.025 . 0 0 "[ . 1 . 2]" 1
217 1 26 ARG H 1 33 VAL MG2 4.650 . 4.650 3.825 3.357 4.356 . 0 0 "[ . 1 . 2]" 1
218 1 26 ARG HA 1 26 ARG QD 3.870 . 3.870 2.582 1.998 3.895 0.025 14 0 "[ . 1 . 2]" 1
219 1 26 ARG HA 1 26 ARG HG2 4.380 . 4.380 3.412 2.487 3.780 . 0 0 "[ . 1 . 2]" 1
220 1 26 ARG HA 1 26 ARG QG 3.820 . 3.820 2.825 2.419 3.270 . 0 0 "[ . 1 . 2]" 1
221 1 26 ARG HA 1 26 ARG HG3 4.380 . 4.380 3.312 2.496 4.004 . 0 0 "[ . 1 . 2]" 1
222 1 26 ARG HA 1 27 ASN H 3.140 . 3.140 2.208 2.102 2.465 . 0 0 "[ . 1 . 2]" 1
223 1 26 ARG HA 1 32 PRO HA 3.600 . 3.600 3.055 2.510 3.348 . 0 0 "[ . 1 . 2]" 1
224 1 26 ARG HA 1 33 VAL H 4.200 . 4.200 3.006 2.233 3.363 . 0 0 "[ . 1 . 2]" 1
225 1 26 ARG HA 1 33 VAL MG2 4.020 . 4.020 2.977 2.211 3.324 . 0 0 "[ . 1 . 2]" 1
226 1 26 ARG QB 1 27 ASN H 3.720 . 3.720 3.100 2.392 3.425 . 0 0 "[ . 1 . 2]" 1
227 1 26 ARG QB 1 30 GLY H 4.370 . 4.370 3.785 3.332 4.232 . 0 0 "[ . 1 . 2]" 1
228 1 26 ARG QB 1 30 GLY QA 4.130 . 4.130 2.254 1.896 2.844 . 0 0 "[ . 1 . 2]" 1
229 1 26 ARG QD 1 27 ASN H 4.880 . 4.880 4.330 3.454 5.035 0.155 7 0 "[ . 1 . 2]" 1
230 1 26 ARG QD 1 32 PRO HA 3.850 . 3.850 3.048 2.097 3.885 0.035 12 0 "[ . 1 . 2]" 1
231 1 26 ARG QD 1 33 VAL H 4.830 . 4.830 4.184 3.055 5.079 0.249 14 0 "[ . 1 . 2]" 1
232 1 26 ARG QG 1 30 GLY QA 5.370 . 5.370 3.523 2.556 4.208 . 0 0 "[ . 1 . 2]" 1
233 1 27 ASN H 1 27 ASN HB2 4.190 . 4.190 3.673 3.616 3.873 . 0 0 "[ . 1 . 2]" 1
234 1 27 ASN H 1 27 ASN HB3 3.900 . 3.900 2.760 2.492 3.119 . 0 0 "[ . 1 . 2]" 1
235 1 27 ASN H 1 31 GLU H 4.080 . 4.080 3.261 2.903 3.593 . 0 0 "[ . 1 . 2]" 1
236 1 27 ASN H 1 32 PRO HA 4.540 . 4.540 4.440 4.250 4.719 0.179 8 0 "[ . 1 . 2]" 1
237 1 27 ASN H 1 33 VAL MG1 4.630 . 4.630 3.269 2.763 4.013 . 0 0 "[ . 1 . 2]" 1
238 1 27 ASN H 1 33 VAL MG2 4.260 . 4.260 2.870 2.613 3.868 . 0 0 "[ . 1 . 2]" 1
239 1 27 ASN HB2 1 29 GLU H 4.240 . 4.240 3.457 3.115 3.927 . 0 0 "[ . 1 . 2]" 1
240 1 27 ASN HB2 1 33 VAL MG1 4.370 . 4.370 3.603 3.307 4.267 . 0 0 "[ . 1 . 2]" 1
241 1 27 ASN HB3 1 27 ASN HD21 3.650 . 3.650 2.280 2.238 2.324 . 0 0 "[ . 1 . 2]" 1
242 1 27 ASN HB3 1 27 ASN HD22 4.240 . 4.240 3.507 3.473 3.533 . 0 0 "[ . 1 . 2]" 1
243 1 27 ASN HB3 1 33 VAL MG1 3.780 . 3.780 2.299 1.952 3.034 . 0 0 "[ . 1 . 2]" 1
244 1 27 ASN HB3 1 33 VAL MG2 4.280 . 4.280 2.606 2.127 3.279 . 0 0 "[ . 1 . 2]" 1
245 1 27 ASN HD21 1 31 GLU H 4.800 . 4.800 4.117 3.046 4.655 . 0 0 "[ . 1 . 2]" 1
246 1 27 ASN HD21 1 31 GLU HB2 4.050 . 4.050 2.928 2.294 3.233 . 0 0 "[ . 1 . 2]" 1
247 1 27 ASN HD21 1 31 GLU HB3 4.380 . 4.380 4.265 3.805 4.446 0.066 9 0 "[ . 1 . 2]" 1
248 1 27 ASN HD21 1 31 GLU QG 4.740 . 4.740 4.307 3.881 4.696 . 0 0 "[ . 1 . 2]" 1
249 1 27 ASN HD21 1 33 VAL MG1 4.070 . 4.070 2.113 1.811 2.480 . 0 0 "[ . 1 . 2]" 1
250 1 27 ASN HD22 1 31 GLU H 4.420 . 4.420 3.083 2.290 3.483 . 0 0 "[ . 1 . 2]" 1
251 1 27 ASN HD22 1 31 GLU HB2 3.560 . 3.560 1.642 1.495 1.759 . 0 0 "[ . 1 . 2]" 1
252 1 27 ASN HD22 1 31 GLU HB3 3.910 . 3.910 3.189 3.014 3.314 . 0 0 "[ . 1 . 2]" 1
253 1 27 ASN HD22 1 31 GLU HG2 4.680 . 4.680 3.292 2.763 3.721 . 0 0 "[ . 1 . 2]" 1
254 1 27 ASN HD22 1 31 GLU QG 3.980 . 3.980 2.854 2.505 3.193 . 0 0 "[ . 1 . 2]" 1
255 1 27 ASN HD22 1 31 GLU HG3 4.680 . 4.680 3.186 2.799 3.625 . 0 0 "[ . 1 . 2]" 1
256 1 27 ASN HD22 1 33 VAL MG1 4.650 . 4.650 3.119 2.957 3.482 . 0 0 "[ . 1 . 2]" 1
257 1 28 ALA HA 1 30 GLY H 4.790 . 4.790 4.082 3.682 4.761 . 0 0 "[ . 1 . 2]" 1
258 1 28 ALA MB 1 29 GLU H 3.570 . 3.570 2.851 2.368 3.165 . 0 0 "[ . 1 . 2]" 1
259 1 28 ALA MB 1 29 GLU HA 4.610 . 4.610 4.063 3.916 4.216 . 0 0 "[ . 1 . 2]" 1
260 1 29 GLU H 1 29 GLU HB2 3.220 . 3.220 2.501 2.358 2.614 . 0 0 "[ . 1 . 2]" 1
261 1 29 GLU H 1 29 GLU HB3 4.230 . 4.230 3.571 2.460 3.699 . 0 0 "[ . 1 . 2]" 1
262 1 29 GLU H 1 29 GLU HG2 4.610 . 4.610 3.504 2.272 4.470 . 0 0 "[ . 1 . 2]" 1
263 1 29 GLU H 1 29 GLU QG 3.850 . 3.850 2.494 2.036 4.002 0.152 13 0 "[ . 1 . 2]" 1
264 1 29 GLU H 1 29 GLU HG3 4.610 . 4.610 2.753 2.052 4.514 . 0 0 "[ . 1 . 2]" 1
265 1 29 GLU H 1 30 GLY H 3.170 . 3.170 2.392 2.167 2.612 . 0 0 "[ . 1 . 2]" 1
266 1 29 GLU H 1 30 GLY QA 4.750 . 4.750 4.351 4.182 4.506 . 0 0 "[ . 1 . 2]" 1
267 1 29 GLU H 1 31 GLU H 4.350 . 4.350 3.682 3.462 4.051 . 0 0 "[ . 1 . 2]" 1
268 1 29 GLU HA 1 29 GLU HG2 3.830 . 3.830 2.816 2.502 3.813 . 0 0 "[ . 1 . 2]" 1
269 1 29 GLU HA 1 29 GLU QG 3.360 . 3.360 2.583 2.390 3.110 . 0 0 "[ . 1 . 2]" 1
270 1 29 GLU HA 1 29 GLU HG3 3.830 . 3.830 3.162 2.531 3.856 0.026 9 0 "[ . 1 . 2]" 1
271 1 29 GLU HB2 1 30 GLY H 4.870 . 4.870 3.229 2.336 4.161 . 0 0 "[ . 1 . 2]" 1
272 1 29 GLU HB3 1 30 GLY H 4.690 . 4.690 4.046 3.203 4.438 . 0 0 "[ . 1 . 2]" 1
273 1 29 GLU HB3 1 31 GLU H 4.280 . 4.280 3.988 2.833 4.372 0.092 6 0 "[ . 1 . 2]" 1
274 1 31 GLU H 1 31 GLU HB2 3.370 . 3.370 2.475 2.376 2.679 . 0 0 "[ . 1 . 2]" 1
275 1 31 GLU H 1 31 GLU HB3 4.250 . 4.250 3.616 3.579 3.674 . 0 0 "[ . 1 . 2]" 1
276 1 31 GLU H 1 31 GLU HG2 4.150 . 4.150 2.416 2.045 2.665 . 0 0 "[ . 1 . 2]" 1
277 1 31 GLU H 1 31 GLU HG3 4.150 . 4.150 3.771 3.572 3.891 . 0 0 "[ . 1 . 2]" 1
278 1 31 GLU HA 1 31 GLU HG2 4.050 . 4.050 3.132 3.013 3.294 . 0 0 "[ . 1 . 2]" 1
279 1 31 GLU HA 1 31 GLU HG3 4.050 . 4.050 3.808 3.761 3.859 . 0 0 "[ . 1 . 2]" 1
280 1 31 GLU HA 1 32 PRO QD 2.930 . 2.930 2.084 1.850 2.254 . 0 0 "[ . 1 . 2]" 1
281 1 31 GLU HB2 1 32 PRO QD 4.200 . 4.200 3.814 3.622 3.972 . 0 0 "[ . 1 . 2]" 1
282 1 31 GLU HB3 1 32 PRO QD 3.420 . 3.420 2.489 2.168 2.757 . 0 0 "[ . 1 . 2]" 1
283 1 31 GLU HG2 1 32 PRO QD 4.510 . 4.510 4.514 4.317 4.625 0.115 8 0 "[ . 1 . 2]" 1
284 1 31 GLU HG3 1 32 PRO QD 4.510 . 4.510 4.442 4.218 4.618 0.108 7 0 "[ . 1 . 2]" 1
285 1 32 PRO HA 1 33 VAL H 2.990 . 2.990 2.213 2.151 2.269 . 0 0 "[ . 1 . 2]" 1
286 1 32 PRO HA 1 33 VAL MG2 4.330 . 4.330 3.858 3.700 3.964 . 0 0 "[ . 1 . 2]" 1
287 1 32 PRO QB 1 33 VAL H 4.000 . 4.000 3.733 3.411 3.858 . 0 0 "[ . 1 . 2]" 1
288 1 32 PRO HB2 1 33 VAL H 4.590 . 4.590 4.080 3.648 4.268 . 0 0 "[ . 1 . 2]" 1
289 1 32 PRO HB3 1 33 VAL H 4.590 . 4.590 4.336 4.099 4.486 . 0 0 "[ . 1 . 2]" 1
290 1 33 VAL H 1 33 VAL MG1 4.440 . 4.440 2.787 2.582 3.028 . 0 0 "[ . 1 . 2]" 1
291 1 33 VAL H 1 33 VAL MG2 3.540 . 3.540 2.075 1.981 2.218 . 0 0 "[ . 1 . 2]" 1
292 1 33 VAL HA 1 33 VAL MG1 3.640 . 3.640 2.366 2.330 2.395 . 0 0 "[ . 1 . 2]" 1
293 1 33 VAL HA 1 34 CYS H 3.500 . 3.500 2.324 2.247 2.456 . 0 0 "[ . 1 . 2]" 1
294 1 33 VAL HB 1 34 CYS H 3.950 . 3.950 2.620 2.309 2.805 . 0 0 "[ . 1 . 2]" 1
295 1 33 VAL HB 1 37 CYS HB2 4.090 . 4.090 2.071 1.869 2.263 . 0 0 "[ . 1 . 2]" 1
296 1 33 VAL HB 1 37 CYS HB3 4.450 . 4.450 2.962 2.711 3.365 . 0 0 "[ . 1 . 2]" 1
297 1 33 VAL HB 1 38 GLY H 4.780 . 4.780 3.987 3.646 4.195 . 0 0 "[ . 1 . 2]" 1
298 1 33 VAL HB 1 38 GLY QA 4.370 . 4.370 4.268 3.994 4.479 0.109 6 0 "[ . 1 . 2]" 1
299 1 33 VAL MG1 1 34 CYS H 5.160 . 5.160 3.722 3.572 3.820 . 0 0 "[ . 1 . 2]" 1
300 1 33 VAL MG1 1 37 CYS HB2 4.590 . 4.590 3.512 3.322 3.652 . 0 0 "[ . 1 . 2]" 1
301 1 33 VAL MG1 1 37 CYS HB3 4.800 . 4.800 3.423 3.176 3.645 . 0 0 "[ . 1 . 2]" 1
302 1 33 VAL MG2 1 34 CYS H 4.880 . 4.880 3.634 3.406 3.805 . 0 0 "[ . 1 . 2]" 1
303 1 33 VAL MG2 1 37 CYS HB2 4.780 . 4.780 3.082 2.852 3.472 . 0 0 "[ . 1 . 2]" 1
304 1 33 VAL MG2 1 38 GLY H 4.190 . 4.190 3.196 2.856 3.732 . 0 0 "[ . 1 . 2]" 1
305 1 33 VAL MG2 1 38 GLY HA2 3.750 . 3.750 2.800 2.448 3.313 . 0 0 "[ . 1 . 2]" 1
306 1 33 VAL MG2 1 38 GLY HA3 3.750 . 3.750 2.983 2.572 3.443 . 0 0 "[ . 1 . 2]" 1
307 1 34 CYS H 1 34 CYS QB 3.830 . 3.830 2.560 2.495 2.635 . 0 0 "[ . 1 . 2]" 1
308 1 34 CYS H 1 37 CYS HB2 4.510 . 4.510 3.085 2.705 3.508 . 0 0 "[ . 1 . 2]" 1
309 1 34 CYS QB 1 35 ASN H 4.130 . 4.130 2.368 2.191 2.622 . 0 0 "[ . 1 . 2]" 1
310 1 34 CYS SG 1 37 CYS SG 5.250 . 5.250 3.001 2.931 3.086 . 0 0 "[ . 1 . 2]" 1
311 1 35 ASN H 1 36 ALA H 4.560 . 4.560 2.799 2.636 2.993 . 0 0 "[ . 1 . 2]" 1
312 1 35 ASN HA 1 37 CYS H 4.760 . 4.760 4.406 4.070 4.787 0.027 4 0 "[ . 1 . 2]" 1
313 1 35 ASN QB 1 36 ALA H 3.650 . 3.650 2.845 2.376 3.627 . 0 0 "[ . 1 . 2]" 1
314 1 35 ASN QB 1 36 ALA MB 4.820 . 4.820 4.076 3.693 4.785 . 0 0 "[ . 1 . 2]" 1
315 1 35 ASN HB2 1 36 ALA H 4.440 . 4.440 3.882 3.713 4.028 . 0 0 "[ . 1 . 2]" 1
316 1 35 ASN HB3 1 36 ALA H 4.440 . 4.440 3.027 2.402 4.182 . 0 0 "[ . 1 . 2]" 1
317 1 35 ASN QD 1 39 LEU MD1 3.810 . 3.810 2.749 1.810 3.836 0.026 18 0 "[ . 1 . 2]" 1
318 1 36 ALA H 1 36 ALA MB 3.110 . 3.110 2.230 2.207 2.245 . 0 0 "[ . 1 . 2]" 1
319 1 36 ALA H 1 37 CYS H 3.840 . 3.840 2.755 2.668 2.909 . 0 0 "[ . 1 . 2]" 1
320 1 36 ALA HA 1 39 LEU HB2 4.060 . 4.060 3.283 2.722 3.748 . 0 0 "[ . 1 . 2]" 1
321 1 36 ALA HA 1 39 LEU MD1 4.210 . 4.210 2.957 2.105 3.813 . 0 0 "[ . 1 . 2]" 1
322 1 36 ALA MB 1 37 CYS H 3.530 . 3.530 2.658 2.327 2.866 . 0 0 "[ . 1 . 2]" 1
323 1 36 ALA MB 1 48 ARG HD2 4.850 . 4.850 3.365 2.220 4.743 . 0 0 "[ . 1 . 2]" 1
324 1 36 ALA MB 1 48 ARG QD 4.210 . 4.210 3.005 2.165 3.752 . 0 0 "[ . 1 . 2]" 1
325 1 36 ALA MB 1 48 ARG HD3 4.850 . 4.850 3.571 2.864 4.401 . 0 0 "[ . 1 . 2]" 1
326 1 37 CYS H 1 37 CYS HB2 3.580 . 3.580 2.516 2.403 2.580 . 0 0 "[ . 1 . 2]" 1
327 1 37 CYS H 1 37 CYS HB3 4.120 . 4.120 3.644 3.590 3.679 . 0 0 "[ . 1 . 2]" 1
328 1 37 CYS HA 1 40 TYR H 4.920 . 4.920 3.660 3.391 4.002 . 0 0 "[ . 1 . 2]" 1
329 1 37 CYS HA 1 40 TYR QB 4.170 . 4.170 2.903 2.600 3.372 . 0 0 "[ . 1 . 2]" 1
330 1 37 CYS HA 1 48 ARG HB2 4.050 . 4.050 2.567 1.954 3.480 . 0 0 "[ . 1 . 2]" 1
331 1 37 CYS HA 1 48 ARG HB3 4.710 . 4.710 3.691 2.609 4.772 0.062 7 0 "[ . 1 . 2]" 1
332 1 37 CYS HA 1 48 ARG QD 4.280 . 4.280 3.177 2.310 4.155 . 0 0 "[ . 1 . 2]" 1
333 1 37 CYS HB2 1 38 GLY H 4.330 . 4.330 2.799 2.643 2.903 . 0 0 "[ . 1 . 2]" 1
334 1 37 CYS HB3 1 38 GLY H 4.750 . 4.750 3.837 3.733 3.958 . 0 0 "[ . 1 . 2]" 1
335 1 38 GLY H 1 39 LEU H 3.760 . 3.760 2.571 2.454 2.659 . 0 0 "[ . 1 . 2]" 1
336 1 39 LEU H 1 39 LEU HB2 3.390 . 3.390 2.417 2.122 2.547 . 0 0 "[ . 1 . 2]" 1
337 1 39 LEU H 1 39 LEU HB3 3.740 . 3.740 3.519 2.806 3.636 . 0 0 "[ . 1 . 2]" 1
338 1 39 LEU H 1 39 LEU MD1 4.690 . 4.690 3.792 3.604 4.151 . 0 0 "[ . 1 . 2]" 1
339 1 39 LEU H 1 39 LEU MD2 4.480 . 4.480 3.580 3.201 4.367 . 0 0 "[ . 1 . 2]" 1
340 1 39 LEU H 1 39 LEU HG 3.890 . 3.890 2.716 2.314 4.165 0.275 9 0 "[ . 1 . 2]" 1
341 1 39 LEU H 1 40 TYR H 3.390 . 3.390 2.576 2.461 2.673 . 0 0 "[ . 1 . 2]" 1
342 1 39 LEU HA 1 39 LEU MD1 3.850 . 3.850 3.914 3.827 3.963 0.113 18 0 "[ . 1 . 2]" 1
343 1 39 LEU HA 1 39 LEU MD2 3.170 . 3.170 2.143 2.007 2.808 . 0 0 "[ . 1 . 2]" 1
344 1 39 LEU HA 1 39 LEU HG 3.850 . 3.850 3.039 2.483 3.255 . 0 0 "[ . 1 . 2]" 1
345 1 39 LEU HA 1 42 LYS QB 3.580 . 3.580 2.547 2.107 3.330 . 0 0 "[ . 1 . 2]" 1
346 1 39 LEU HB2 1 39 LEU MD1 3.530 . 3.530 2.368 2.291 2.415 . 0 0 "[ . 1 . 2]" 1
347 1 39 LEU HB2 1 40 TYR H 3.750 . 3.750 2.840 2.392 3.559 . 0 0 "[ . 1 . 2]" 1
348 1 39 LEU HB3 1 39 LEU MD1 3.590 . 3.590 2.447 2.394 2.526 . 0 0 "[ . 1 . 2]" 1
349 1 39 LEU HB3 1 39 LEU MD2 3.430 . 3.430 2.445 2.372 2.486 . 0 0 "[ . 1 . 2]" 1
350 1 39 LEU HB3 1 40 TYR H 3.930 . 3.930 3.539 2.498 3.939 0.009 11 0 "[ . 1 . 2]" 1
351 1 39 LEU MD1 1 40 TYR H 5.240 . 5.240 4.676 4.363 4.907 . 0 0 "[ . 1 . 2]" 1
352 1 39 LEU MD2 1 40 TYR H 5.550 . 5.550 4.620 3.809 4.799 . 0 0 "[ . 1 . 2]" 1
353 1 39 LEU MD2 1 42 LYS QB 4.420 . 4.420 3.400 2.592 4.221 . 0 0 "[ . 1 . 2]" 1
354 1 40 TYR CA 1 44 HIS HD2 4.580 . 4.580 3.670 3.114 4.295 . 0 0 "[ . 1 . 2]" 1
355 1 40 TYR H 1 40 TYR QB 2.920 . 2.920 2.236 2.165 2.311 . 0 0 "[ . 1 . 2]" 1
356 1 40 TYR H 1 40 TYR QD 4.380 . 4.380 4.207 4.100 4.267 . 0 0 "[ . 1 . 2]" 1
357 1 40 TYR HA 1 40 TYR QD 3.900 . 3.900 3.105 2.973 3.259 . 0 0 "[ . 1 . 2]" 1
358 1 40 TYR HA 1 43 LEU HB2 3.850 . 3.850 2.853 2.567 3.040 . 0 0 "[ . 1 . 2]" 1
359 1 40 TYR HA 1 43 LEU HB3 4.500 . 4.500 4.467 4.157 4.590 0.090 2 0 "[ . 1 . 2]" 1
360 1 40 TYR HA 1 43 LEU MD1 3.650 . 3.650 2.767 2.244 3.349 . 0 0 "[ . 1 . 2]" 1
361 1 40 TYR HA 1 44 HIS H 4.570 . 4.570 4.090 3.574 4.460 . 0 0 "[ . 1 . 2]" 1
362 1 40 TYR HA 1 44 HIS HD2 4.090 . 4.090 3.025 2.311 3.663 . 0 0 "[ . 1 . 2]" 1
363 1 40 TYR QB 1 41 MET H 3.420 . 3.420 2.643 2.288 2.876 . 0 0 "[ . 1 . 2]" 1
364 1 40 TYR QB 1 48 ARG H 4.280 . 4.280 3.361 2.921 4.207 . 0 0 "[ . 1 . 2]" 1
365 1 40 TYR QB 1 48 ARG HB2 3.990 . 3.990 3.093 2.281 4.198 0.208 7 0 "[ . 1 . 2]" 1
366 1 40 TYR QB 1 48 ARG HB3 4.690 . 4.690 4.336 3.762 4.778 0.088 1 0 "[ . 1 . 2]" 1
367 1 40 TYR QB 1 48 ARG QD 4.300 . 4.300 3.400 2.736 4.080 . 0 0 "[ . 1 . 2]" 1
368 1 40 TYR QD 1 41 MET H 4.540 . 4.540 3.899 3.262 4.225 . 0 0 "[ . 1 . 2]" 1
369 1 40 TYR QD 1 41 MET HA 3.980 . 3.980 3.601 2.620 4.014 0.034 18 0 "[ . 1 . 2]" 1
370 1 40 TYR QD 1 41 MET ME 5.620 . 5.620 5.240 4.661 5.694 0.074 16 0 "[ . 1 . 2]" 1
371 1 40 TYR QD 1 44 HIS H 4.740 . 4.740 4.452 3.742 4.842 0.102 8 0 "[ . 1 . 2]" 1
372 1 40 TYR QD 1 44 HIS HB2 4.730 . 4.730 3.230 2.595 3.693 . 0 0 "[ . 1 . 2]" 1
373 1 40 TYR QD 1 44 HIS HD2 4.290 . 4.290 3.196 2.950 3.485 . 0 0 "[ . 1 . 2]" 1
374 1 40 TYR QD 1 46 VAL MG2 4.190 . 4.190 3.016 2.421 3.638 . 0 0 "[ . 1 . 2]" 1
375 1 40 TYR QD 1 47 PRO HA 4.570 . 4.570 3.461 2.555 4.342 . 0 0 "[ . 1 . 2]" 1
376 1 40 TYR QD 1 48 ARG H 4.340 . 4.340 4.076 3.611 4.437 0.097 16 0 "[ . 1 . 2]" 1
377 1 40 TYR QD 1 48 ARG HA 4.560 . 4.560 3.263 2.709 3.648 . 0 0 "[ . 1 . 2]" 1
378 1 40 TYR QD 1 48 ARG QD 4.030 . 4.030 3.749 3.357 4.282 0.252 4 0 "[ . 1 . 2]" 1
379 1 40 TYR QD 1 48 ARG HG2 4.440 . 4.440 3.940 2.662 4.604 0.164 15 0 "[ . 1 . 2]" 1
380 1 40 TYR QD 1 48 ARG HG3 4.440 . 4.440 2.959 1.780 3.711 . 0 0 "[ . 1 . 2]" 1
381 1 40 TYR QD 1 49 PRO QD 4.610 . 4.610 3.702 3.102 4.096 . 0 0 "[ . 1 . 2]" 1
382 1 40 TYR QE 1 44 HIS HB2 4.260 . 4.260 3.224 2.591 3.793 . 0 0 "[ . 1 . 2]" 1
383 1 40 TYR QE 1 44 HIS HB3 4.540 . 4.540 3.939 3.301 4.576 0.036 19 0 "[ . 1 . 2]" 1
384 1 40 TYR QE 1 46 VAL MG2 3.070 . 3.070 2.206 1.689 2.632 . 0 0 "[ . 1 . 2]" 1
385 1 40 TYR QE 1 48 ARG HA 3.930 . 3.930 3.503 3.134 3.958 0.028 4 0 "[ . 1 . 2]" 1
386 1 40 TYR QE 1 48 ARG QG 4.400 . 4.400 3.458 2.866 4.092 . 0 0 "[ . 1 . 2]" 1
387 1 40 TYR QE 1 49 PRO HD2 4.150 . 4.150 3.572 3.096 4.149 . 0 0 "[ . 1 . 2]" 1
388 1 40 TYR QE 1 49 PRO QD 3.580 . 3.580 2.797 2.495 3.582 0.002 14 0 "[ . 1 . 2]" 1
389 1 40 TYR QE 1 49 PRO HD3 4.150 . 4.150 2.950 2.539 3.931 . 0 0 "[ . 1 . 2]" 1
390 1 41 MET H 1 41 MET QB 3.150 . 3.150 2.346 2.166 2.596 . 0 0 "[ . 1 . 2]" 1
391 1 41 MET HA 1 41 MET ME 4.810 . 4.810 3.697 2.998 4.400 . 0 0 "[ . 1 . 2]" 1
392 1 41 MET HA 1 41 MET QG 3.800 . 3.800 2.520 2.240 3.220 . 0 0 "[ . 1 . 2]" 1
393 1 41 MET HA 1 44 HIS H 4.480 . 4.480 3.422 3.058 3.866 . 0 0 "[ . 1 . 2]" 1
394 1 41 MET HA 1 45 GLY H 4.290 . 4.290 2.796 1.988 3.467 . 0 0 "[ . 1 . 2]" 1
395 1 41 MET HA 1 46 VAL H 3.860 . 3.860 3.454 2.265 3.935 0.075 19 0 "[ . 1 . 2]" 1
396 1 41 MET QB 1 42 LYS H 3.850 . 3.850 2.834 2.714 3.101 . 0 0 "[ . 1 . 2]" 1
397 1 41 MET HB2 1 42 LYS H 4.460 . 4.460 3.630 2.784 4.169 . 0 0 "[ . 1 . 2]" 1
398 1 41 MET HB3 1 42 LYS H 4.460 . 4.460 3.277 2.756 3.986 . 0 0 "[ . 1 . 2]" 1
399 1 41 MET ME 1 41 MET HG2 4.010 . 4.010 2.924 2.326 3.412 . 0 0 "[ . 1 . 2]" 1
400 1 41 MET ME 1 41 MET QG 3.430 . 3.430 2.355 2.202 2.456 . 0 0 "[ . 1 . 2]" 1
401 1 41 MET ME 1 41 MET HG3 4.010 . 4.010 2.765 2.360 3.423 . 0 0 "[ . 1 . 2]" 1
402 1 41 MET ME 1 45 GLY QA 4.610 . 4.610 4.309 3.734 4.713 0.103 8 0 "[ . 1 . 2]" 1
403 1 41 MET ME 1 46 VAL H 5.780 . 5.780 4.558 4.018 4.836 . 0 0 "[ . 1 . 2]" 1
404 1 41 MET ME 1 46 VAL HA 3.870 . 3.870 2.774 2.461 3.059 . 0 0 "[ . 1 . 2]" 1
405 1 41 MET ME 1 46 VAL HB 4.420 . 4.420 4.535 4.313 4.673 0.253 18 0 "[ . 1 . 2]" 1
406 1 41 MET ME 1 47 PRO HA 3.950 . 3.950 3.081 2.226 4.007 0.057 6 0 "[ . 1 . 2]" 1
407 1 41 MET ME 1 47 PRO QB 3.970 . 3.970 2.753 1.882 3.836 . 0 0 "[ . 1 . 2]" 1
408 1 41 MET ME 1 47 PRO HD2 4.360 . 4.360 3.638 3.367 3.825 . 0 0 "[ . 1 . 2]" 1
409 1 41 MET ME 1 47 PRO HD3 3.730 . 3.730 2.255 1.826 2.651 . 0 0 "[ . 1 . 2]" 1
410 1 42 LYS H 1 42 LYS HB2 3.630 . 3.630 2.425 2.239 2.593 . 0 0 "[ . 1 . 2]" 1
411 1 42 LYS H 1 42 LYS QB 3.060 . 3.060 2.243 2.152 2.358 . 0 0 "[ . 1 . 2]" 1
412 1 42 LYS H 1 42 LYS HB3 3.630 . 3.630 2.735 2.476 3.620 . 0 0 "[ . 1 . 2]" 1
413 1 42 LYS H 1 42 LYS QD 4.800 . 4.800 4.306 2.391 4.772 . 0 0 "[ . 1 . 2]" 1
414 1 42 LYS H 1 42 LYS QG 4.790 . 4.790 3.941 2.593 4.151 . 0 0 "[ . 1 . 2]" 1
415 1 42 LYS HA 1 42 LYS HD2 4.760 . 4.760 3.188 1.938 4.839 0.079 8 0 "[ . 1 . 2]" 1
416 1 42 LYS HA 1 42 LYS QD 4.080 . 4.080 2.740 1.926 4.160 0.080 8 0 "[ . 1 . 2]" 1
417 1 42 LYS HA 1 42 LYS HD3 4.760 . 4.760 3.491 2.130 4.534 . 0 0 "[ . 1 . 2]" 1
418 1 42 LYS HA 1 42 LYS HG2 4.140 . 4.140 3.173 2.438 3.873 . 0 0 "[ . 1 . 2]" 1
419 1 42 LYS HA 1 42 LYS QG 3.600 . 3.600 2.700 2.402 3.086 . 0 0 "[ . 1 . 2]" 1
420 1 42 LYS HA 1 42 LYS HG3 4.140 . 4.140 3.306 2.541 3.772 . 0 0 "[ . 1 . 2]" 1
421 1 42 LYS QB 1 42 LYS QD 3.280 . 3.280 2.467 2.168 2.850 . 0 0 "[ . 1 . 2]" 1
422 1 42 LYS QB 1 43 LEU H 3.890 . 3.890 2.750 2.464 2.973 . 0 0 "[ . 1 . 2]" 1
423 1 42 LYS HB2 1 43 LEU H 4.540 . 4.540 3.789 2.919 4.084 . 0 0 "[ . 1 . 2]" 1
424 1 42 LYS HB3 1 43 LEU H 4.540 . 4.540 2.883 2.499 3.851 . 0 0 "[ . 1 . 2]" 1
425 1 43 LEU H 1 43 LEU HB2 3.240 . 3.240 2.371 2.290 2.432 . 0 0 "[ . 1 . 2]" 1
426 1 43 LEU H 1 43 LEU HB3 3.530 . 3.530 3.585 3.556 3.607 0.077 17 0 "[ . 1 . 2]" 1
427 1 43 LEU H 1 43 LEU MD1 4.700 . 4.700 3.695 3.552 3.844 . 0 0 "[ . 1 . 2]" 1
428 1 43 LEU H 1 43 LEU MD2 5.170 . 5.170 3.650 3.422 3.850 . 0 0 "[ . 1 . 2]" 1
429 1 43 LEU H 1 43 LEU HG 3.660 . 3.660 2.614 2.430 2.775 . 0 0 "[ . 1 . 2]" 1
430 1 43 LEU H 1 44 HIS H 3.480 . 3.480 2.548 2.338 2.812 . 0 0 "[ . 1 . 2]" 1
431 1 43 LEU HA 1 43 LEU MD2 3.400 . 3.400 2.077 1.985 2.138 . 0 0 "[ . 1 . 2]" 1
432 1 43 LEU HA 1 43 LEU HG 4.440 . 4.440 3.050 2.894 3.154 . 0 0 "[ . 1 . 2]" 1
433 1 43 LEU HB2 1 44 HIS H 3.990 . 3.990 2.679 2.182 3.114 . 0 0 "[ . 1 . 2]" 1
434 1 43 LEU HB3 1 43 LEU MD2 3.390 . 3.390 2.416 2.351 2.463 . 0 0 "[ . 1 . 2]" 1
435 1 43 LEU HB3 1 44 HIS H 3.960 . 3.960 3.580 3.012 3.908 . 0 0 "[ . 1 . 2]" 1
436 1 43 LEU MD1 1 44 HIS HE1 4.860 . 4.860 4.330 3.841 4.877 0.017 16 0 "[ . 1 . 2]" 1
437 1 43 LEU MD2 1 44 HIS HE1 4.880 . 4.880 4.915 4.657 4.984 0.104 19 0 "[ . 1 . 2]" 1
438 1 44 HIS H 1 44 HIS HB2 3.580 . 3.580 2.696 2.537 2.853 . 0 0 "[ . 1 . 2]" 1
439 1 44 HIS H 1 44 HIS HB3 4.010 . 4.010 3.802 3.662 3.897 . 0 0 "[ . 1 . 2]" 1
440 1 44 HIS H 1 44 HIS HD2 4.600 . 4.600 3.640 2.932 3.935 . 0 0 "[ . 1 . 2]" 1
441 1 44 HIS H 1 45 GLY H 3.730 . 3.730 2.197 1.969 2.617 . 0 0 "[ . 1 . 2]" 1
442 1 44 HIS H 1 46 VAL H 5.270 . 5.270 4.304 3.554 4.891 . 0 0 "[ . 1 . 2]" 1
443 1 44 HIS HB2 1 46 VAL H 4.510 . 4.510 3.207 2.725 3.719 . 0 0 "[ . 1 . 2]" 1
444 1 44 HIS HB2 1 46 VAL MG2 3.950 . 3.950 2.878 2.293 3.323 . 0 0 "[ . 1 . 2]" 1
445 1 44 HIS HB3 1 46 VAL H 4.460 . 4.460 3.704 3.226 4.243 . 0 0 "[ . 1 . 2]" 1
446 1 44 HIS HB3 1 46 VAL MG2 3.650 . 3.650 2.970 2.503 3.491 . 0 0 "[ . 1 . 2]" 1
447 1 45 GLY H 1 46 VAL H 4.010 . 4.010 3.005 2.108 3.505 . 0 0 "[ . 1 . 2]" 1
448 1 45 GLY QA 1 46 VAL MG1 4.490 . 4.490 3.560 3.391 3.725 . 0 0 "[ . 1 . 2]" 1
449 1 46 VAL H 1 46 VAL MG1 4.170 . 4.170 2.602 2.340 3.288 . 0 0 "[ . 1 . 2]" 1
450 1 46 VAL H 1 46 VAL MG2 3.330 . 3.330 2.069 1.967 2.375 . 0 0 "[ . 1 . 2]" 1
451 1 46 VAL HA 1 46 VAL MG1 3.220 . 3.220 2.402 2.356 2.433 . 0 0 "[ . 1 . 2]" 1
452 1 46 VAL HA 1 47 PRO HD2 3.400 . 3.400 2.873 2.495 3.183 . 0 0 "[ . 1 . 2]" 1
453 1 46 VAL HA 1 47 PRO HD3 3.160 . 3.160 2.292 2.019 2.666 . 0 0 "[ . 1 . 2]" 1
454 1 46 VAL HB 1 47 PRO HD2 3.330 . 3.330 2.241 1.968 2.535 . 0 0 "[ . 1 . 2]" 1
455 1 46 VAL HB 1 47 PRO HD3 3.530 . 3.530 3.240 2.889 3.561 0.031 20 0 "[ . 1 . 2]" 1
456 1 46 VAL MG1 1 47 PRO HD2 4.030 . 4.030 3.533 3.121 3.872 . 0 0 "[ . 1 . 2]" 1
457 1 46 VAL MG1 1 47 PRO HD3 4.150 . 4.150 3.785 3.419 4.178 0.028 20 0 "[ . 1 . 2]" 1
458 1 46 VAL MG2 1 47 PRO HD2 4.070 . 4.070 3.669 3.548 3.970 . 0 0 "[ . 1 . 2]" 1
459 1 46 VAL MG2 1 47 PRO HD3 4.560 . 4.560 4.384 4.151 4.638 0.078 5 0 "[ . 1 . 2]" 1
460 1 47 PRO HA 1 48 ARG H 3.200 . 3.200 2.507 2.241 2.697 . 0 0 "[ . 1 . 2]" 1
461 1 47 PRO QB 1 48 ARG H 3.940 . 3.940 2.464 2.101 3.090 . 0 0 "[ . 1 . 2]" 1
462 1 47 PRO HB2 1 48 ARG H 4.580 . 4.580 2.602 2.120 3.648 . 0 0 "[ . 1 . 2]" 1
463 1 47 PRO HB3 1 48 ARG H 4.580 . 4.580 3.326 2.843 3.619 . 0 0 "[ . 1 . 2]" 1
464 1 48 ARG H 1 48 ARG HB2 3.760 . 3.760 2.387 2.150 2.628 . 0 0 "[ . 1 . 2]" 1
465 1 48 ARG H 1 48 ARG HB3 4.070 . 4.070 2.954 2.435 3.600 . 0 0 "[ . 1 . 2]" 1
466 1 48 ARG HA 1 48 ARG HG2 4.430 . 4.430 2.790 2.206 3.176 . 0 0 "[ . 1 . 2]" 1
467 1 48 ARG HA 1 48 ARG HG3 4.430 . 4.430 2.668 2.439 3.115 . 0 0 "[ . 1 . 2]" 1
468 1 48 ARG HA 1 49 PRO HD2 3.500 . 3.500 2.472 2.152 2.973 . 0 0 "[ . 1 . 2]" 1
469 1 48 ARG HA 1 49 PRO QD 3.000 . 3.000 2.005 1.837 2.108 . 0 0 "[ . 1 . 2]" 1
470 1 48 ARG HA 1 49 PRO HD3 3.500 . 3.500 2.205 1.855 2.579 . 0 0 "[ . 1 . 2]" 1
471 1 48 ARG HA 1 49 PRO QG 4.600 . 4.600 3.930 3.673 4.035 . 0 0 "[ . 1 . 2]" 1
472 1 48 ARG QG 1 49 PRO QD 3.630 . 3.630 2.965 2.318 3.486 . 0 0 "[ . 1 . 2]" 1
473 1 48 ARG HG2 1 49 PRO HD2 4.860 . 4.860 3.408 2.742 4.127 . 0 0 "[ . 1 . 2]" 1
474 1 48 ARG HG2 1 49 PRO HD3 4.860 . 4.860 4.267 3.368 4.810 . 0 0 "[ . 1 . 2]" 1
475 1 48 ARG HG3 1 49 PRO HD2 4.860 . 4.860 3.871 2.546 5.118 0.258 1 0 "[ . 1 . 2]" 1
476 1 48 ARG HG3 1 49 PRO HD3 4.860 . 4.860 4.436 3.429 5.079 0.219 6 0 "[ . 1 . 2]" 1
477 1 49 PRO HA 1 50 LEU H 3.030 . 3.030 2.199 2.133 2.300 . 0 0 "[ . 1 . 2]" 1
478 1 49 PRO QB 1 50 LEU H 3.750 . 3.750 3.441 2.933 3.757 0.007 4 0 "[ . 1 . 2]" 1
479 1 49 PRO HB2 1 50 LEU H 4.260 . 4.260 3.774 3.054 4.279 0.019 16 0 "[ . 1 . 2]" 1
480 1 49 PRO HB3 1 50 LEU H 4.260 . 4.260 4.028 3.640 4.354 0.094 13 0 "[ . 1 . 2]" 1
481 1 50 LEU H 1 50 LEU HB2 3.460 . 3.460 2.549 2.332 2.667 . 0 0 "[ . 1 . 2]" 1
482 1 50 LEU H 1 50 LEU HB3 4.240 . 4.240 3.684 3.592 3.779 . 0 0 "[ . 1 . 2]" 1
483 1 50 LEU H 1 50 LEU MD1 4.660 . 4.660 3.936 3.623 4.200 . 0 0 "[ . 1 . 2]" 1
484 1 50 LEU H 1 50 LEU MD2 4.540 . 4.540 3.382 2.490 3.753 . 0 0 "[ . 1 . 2]" 1
485 1 50 LEU H 1 50 LEU HG 4.300 . 4.300 2.736 2.168 4.201 . 0 0 "[ . 1 . 2]" 1
486 1 50 LEU HA 1 50 LEU MD1 4.420 . 4.420 3.820 2.091 3.963 . 0 0 "[ . 1 . 2]" 1
487 1 50 LEU HA 1 50 LEU MD2 3.210 . 3.210 2.180 2.033 2.749 . 0 0 "[ . 1 . 2]" 1
488 1 50 LEU HA 1 50 LEU HG 4.300 . 4.300 3.323 3.193 3.792 . 0 0 "[ . 1 . 2]" 1
489 1 50 LEU HB3 1 50 LEU MD2 3.600 . 3.600 2.548 2.451 3.272 . 0 0 "[ . 1 . 2]" 1
490 1 52 MET QB 1 53 ARG H 4.330 . 4.330 3.522 2.050 4.068 . 0 0 "[ . 1 . 2]" 1
491 1 53 ARG H 1 54 LYS H 4.350 . 4.350 3.251 1.633 4.377 0.027 8 0 "[ . 1 . 2]" 1
492 1 54 LYS HA 1 54 LYS QG 3.920 . 3.920 2.670 2.265 3.556 . 0 0 "[ . 1 . 2]" 1
493 1 57 ILE HA 1 57 ILE MD 4.610 . 4.610 3.362 2.074 4.279 . 0 0 "[ . 1 . 2]" 1
494 1 57 ILE HA 1 57 ILE QG 3.860 . 3.860 2.933 2.430 3.466 . 0 0 "[ . 1 . 2]" 1
495 1 58 GLN QG 1 59 THR H 4.690 . 4.690 4.022 2.381 4.693 0.003 19 0 "[ . 1 . 2]" 1
496 1 59 THR HA 1 59 THR HB 3.030 . 3.030 2.577 2.383 3.061 0.031 6 0 "[ . 1 . 2]" 1
497 1 59 THR HA 1 59 THR MG 3.750 . 3.750 2.686 2.315 3.288 . 0 0 "[ . 1 . 2]" 1
498 1 60 ARG HA 1 60 ARG QD 3.870 . 3.870 3.385 2.095 4.106 0.236 2 0 "[ . 1 . 2]" 1
499 1 60 ARG HA 1 60 ARG HG2 4.300 . 4.300 3.086 2.377 3.847 . 0 0 "[ . 1 . 2]" 1
500 1 60 ARG HA 1 60 ARG HG3 4.300 . 4.300 3.055 2.514 3.797 . 0 0 "[ . 1 . 2]" 1
501 1 60 ARG QB 1 60 ARG QD 3.140 . 3.140 2.395 2.135 2.852 . 0 0 "[ . 1 . 2]" 1
502 1 60 ARG QB 1 60 ARG QG 2.470 . 2.470 2.073 2.003 2.118 . 0 0 "[ . 1 . 2]" 1
503 1 62 ARG HA 1 62 ARG QD 4.780 . 4.780 3.610 2.043 4.374 . 0 0 "[ . 1 . 2]" 1
504 1 62 ARG HA 1 63 LYS H 3.700 . 3.700 2.601 2.115 3.579 . 0 0 "[ . 1 . 2]" 1
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