NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614727 |
5mgq   |
34069 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mgq
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 527
_Distance_constraint_stats_list.Viol_count 1678
_Distance_constraint_stats_list.Viol_total 2073.824
_Distance_constraint_stats_list.Viol_max 0.292
_Distance_constraint_stats_list.Viol_rms 0.0313
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0618
_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 LYS 0.029 0.016 12 0 "[ . 1 . 2]"
1 2 CYS 0.767 0.073 4 0 "[ . 1 . 2]"
1 3 ASN 2.090 0.120 3 0 "[ . 1 . 2]"
1 4 THR 1.966 0.084 10 0 "[ . 1 . 2]"
1 5 ALA 2.096 0.088 6 0 "[ . 1 . 2]"
1 6 THR 3.006 0.117 4 0 "[ . 1 . 2]"
1 7 CYS 9.455 0.232 18 0 "[ . 1 . 2]"
1 8 ALA 2.069 0.111 3 0 "[ . 1 . 2]"
1 9 THR 6.253 0.232 18 0 "[ . 1 . 2]"
1 10 GLN 4.571 0.159 17 0 "[ . 1 . 2]"
1 11 ARG 5.112 0.154 12 0 "[ . 1 . 2]"
1 12 LEU 6.395 0.159 17 0 "[ . 1 . 2]"
1 13 ALA 1.690 0.089 15 0 "[ . 1 . 2]"
1 14 ASN 4.516 0.154 12 0 "[ . 1 . 2]"
1 15 PHE 8.663 0.292 16 0 "[ . 1 . 2]"
1 16 LEU 11.330 0.292 16 0 "[ . 1 . 2]"
1 17 VAL 9.000 0.188 3 0 "[ . 1 . 2]"
1 18 HIS 6.926 0.184 10 0 "[ . 1 . 2]"
1 19 SER 6.867 0.242 9 0 "[ . 1 . 2]"
1 20 SER 5.755 0.240 6 0 "[ . 1 . 2]"
1 21 ASN 4.160 0.247 7 0 "[ . 1 . 2]"
1 22 ASN 14.313 0.260 1 0 "[ . 1 . 2]"
1 23 PHE 17.957 0.260 1 0 "[ . 1 . 2]"
1 24 GLY 8.214 0.201 8 0 "[ . 1 . 2]"
1 25 ALA 9.152 0.185 7 0 "[ . 1 . 2]"
1 26 ILE 11.522 0.191 14 0 "[ . 1 . 2]"
1 27 LEU 8.196 0.242 17 0 "[ . 1 . 2]"
1 28 SER 7.204 0.242 17 0 "[ . 1 . 2]"
1 29 SER 2.779 0.160 5 0 "[ . 1 . 2]"
1 30 THR 1.710 0.135 15 0 "[ . 1 . 2]"
1 31 ASN 3.656 0.209 10 0 "[ . 1 . 2]"
1 32 VAL 1.675 0.193 15 0 "[ . 1 . 2]"
1 33 GLY 0.249 0.100 1 0 "[ . 1 . 2]"
1 34 SER 1.468 0.109 4 0 "[ . 1 . 2]"
1 35 ASN 1.746 0.169 9 0 "[ . 1 . 2]"
1 36 THR 0.976 0.169 9 0 "[ . 1 . 2]"
1 37 TYC 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 1 LYS HA 1 1 LYS QD 3.295 . 4.790 4.077 2.315 4.513 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 2 CYS HA 3.240 . 4.680 4.442 4.365 4.581 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS HA 1 2 CYS HB2 3.900 . 6.000 5.601 5.396 5.804 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS HA 1 2 CYS HB3 3.230 . 4.660 4.546 4.422 4.676 0.016 12 0 "[ . 1 . 2]" 1
5 1 1 LYS QB 1 1 LYS QE 3.095 . 4.390 3.015 1.915 3.658 . 0 0 "[ . 1 . 2]" 1
6 1 1 LYS QB 1 2 CYS H 3.450 . 5.100 2.643 1.959 3.753 . 0 0 "[ . 1 . 2]" 1
7 1 1 LYS QE 1 1 LYS QG 2.950 . 4.100 2.246 2.081 2.709 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS HA 1 4 THR MG 3.280 . 4.760 4.517 4.159 4.833 0.073 4 0 "[ . 1 . 2]" 1
9 1 2 CYS HB2 1 3 ASN H 3.045 . 4.290 2.465 2.280 2.663 . 0 0 "[ . 1 . 2]" 1
10 1 2 CYS HB2 1 4 THR H 2.960 . 4.120 2.841 2.674 2.971 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS HB2 1 8 ALA HA 3.345 . 4.890 4.916 4.852 4.948 0.058 8 0 "[ . 1 . 2]" 1
12 1 2 CYS HB2 1 8 ALA MB 3.315 . 4.830 4.418 4.183 4.660 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS HB3 1 3 ASN H 3.100 . 4.400 3.691 3.570 3.821 . 0 0 "[ . 1 . 2]" 1
14 1 2 CYS HB3 1 4 THR H 3.325 . 4.850 4.565 4.419 4.682 . 0 0 "[ . 1 . 2]" 1
15 1 2 CYS HB3 1 4 THR MG 3.590 . 5.380 4.079 3.703 4.368 . 0 0 "[ . 1 . 2]" 1
16 1 3 ASN H 1 3 ASN QB 2.915 . 4.030 2.904 2.629 3.241 . 0 0 "[ . 1 . 2]" 1
17 1 3 ASN H 1 4 THR H 2.945 . 4.090 2.035 1.950 2.113 . 0 0 "[ . 1 . 2]" 1
18 1 3 ASN H 1 4 THR HA 3.395 . 4.990 4.371 4.202 4.497 . 0 0 "[ . 1 . 2]" 1
19 1 3 ASN H 1 4 THR MG 3.070 . 4.340 3.105 2.908 3.391 . 0 0 "[ . 1 . 2]" 1
20 1 3 ASN H 1 7 CYS HB2 3.330 . 4.860 4.941 4.907 4.980 0.120 3 0 "[ . 1 . 2]" 1
21 1 3 ASN H 1 8 ALA MB 3.415 . 5.030 4.029 3.864 4.271 . 0 0 "[ . 1 . 2]" 1
22 1 3 ASN HA 1 4 THR MG 3.530 . 5.260 4.659 4.511 4.831 . 0 0 "[ . 1 . 2]" 1
23 1 3 ASN QB 1 3 ASN HD21 2.680 . 3.560 2.377 2.162 2.812 . 0 0 "[ . 1 . 2]" 1
24 1 3 ASN QB 1 4 THR H 2.945 . 4.090 3.832 3.589 4.009 . 0 0 "[ . 1 . 2]" 1
25 1 3 ASN QB 1 4 THR MG 3.470 . 5.140 4.955 4.612 5.190 0.050 12 0 "[ . 1 . 2]" 1
26 1 3 ASN HD21 1 4 THR MG 3.900 . 6.000 5.743 5.377 6.080 0.080 5 0 "[ . 1 . 2]" 1
27 1 4 THR H 1 4 THR MG 2.675 . 3.550 1.968 1.881 2.027 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR H 1 5 ALA H 3.190 . 4.580 4.473 4.441 4.499 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR H 1 6 THR H 3.250 . 4.700 4.671 4.606 4.711 0.011 9 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 7 CYS H 3.355 . 4.910 3.823 3.727 3.951 . 0 0 "[ . 1 . 2]" 1
31 1 4 THR H 1 7 CYS HB2 3.495 . 5.190 3.792 3.700 3.856 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR H 1 7 CYS HB3 2.955 . 4.110 2.784 2.689 2.883 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR H 1 8 ALA MB 3.125 . 4.450 3.218 3.074 3.387 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR H 1 9 THR H 3.675 . 5.550 5.538 5.434 5.588 0.038 3 0 "[ . 1 . 2]" 1
35 1 4 THR HA 1 4 THR MG 2.570 . 3.340 3.221 3.201 3.236 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR HA 1 5 ALA H 2.470 . 3.140 2.330 2.260 2.405 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR HA 1 5 ALA HA 3.090 . 4.380 4.273 4.232 4.305 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR HA 1 5 ALA MB 3.040 . 4.280 4.047 3.992 4.114 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR HA 1 6 THR H 3.145 . 4.490 4.027 3.950 4.087 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR HA 1 8 ALA MB 3.130 . 4.460 4.219 4.131 4.354 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR HB 1 5 ALA H 2.810 . 3.820 3.751 3.678 3.802 . 0 0 "[ . 1 . 2]" 1
42 1 4 THR HB 1 6 THR H 2.995 . 4.190 4.231 4.177 4.274 0.084 10 0 "[ . 1 . 2]" 1
43 1 4 THR HB 1 6 THR HB 3.605 . 5.410 4.733 4.610 4.950 . 0 0 "[ . 1 . 2]" 1
44 1 4 THR MG 1 5 ALA H 2.715 . 3.630 3.460 3.231 3.557 . 0 0 "[ . 1 . 2]" 1
45 1 4 THR MG 1 5 ALA MB 3.085 . 4.370 4.361 4.139 4.415 0.045 18 0 "[ . 1 . 2]" 1
46 1 4 THR MG 1 6 THR H 3.080 . 4.360 2.293 1.941 2.419 . 0 0 "[ . 1 . 2]" 1
47 1 4 THR MG 1 6 THR HA 3.105 . 4.410 4.132 3.903 4.261 . 0 0 "[ . 1 . 2]" 1
48 1 4 THR MG 1 6 THR HB 2.920 . 4.040 2.262 2.086 2.551 . 0 0 "[ . 1 . 2]" 1
49 1 4 THR MG 1 7 CYS H 3.170 . 4.540 2.260 2.182 2.347 . 0 0 "[ . 1 . 2]" 1
50 1 4 THR MG 1 7 CYS HB2 3.070 . 4.340 2.121 2.035 2.281 . 0 0 "[ . 1 . 2]" 1
51 1 4 THR MG 1 7 CYS HB3 3.180 . 4.560 2.347 2.211 2.459 . 0 0 "[ . 1 . 2]" 1
52 1 4 THR MG 1 8 ALA H 3.035 . 4.270 3.217 3.145 3.313 . 0 0 "[ . 1 . 2]" 1
53 1 4 THR MG 1 8 ALA MB 3.150 . 4.500 4.076 3.969 4.207 . 0 0 "[ . 1 . 2]" 1
54 1 5 ALA H 1 5 ALA MB 2.505 . 3.210 2.234 2.198 2.275 . 0 0 "[ . 1 . 2]" 1
55 1 5 ALA H 1 6 THR H 2.850 . 3.900 2.550 2.461 2.615 . 0 0 "[ . 1 . 2]" 1
56 1 5 ALA H 1 6 THR HA 3.490 . 5.180 5.163 5.089 5.193 0.013 4 0 "[ . 1 . 2]" 1
57 1 5 ALA H 1 6 THR MG 3.850 . 5.900 5.752 5.675 5.828 . 0 0 "[ . 1 . 2]" 1
58 1 5 ALA H 1 7 CYS H 3.460 . 5.120 4.086 4.002 4.113 . 0 0 "[ . 1 . 2]" 1
59 1 5 ALA H 1 7 CYS HB2 3.825 . 5.850 5.911 5.890 5.938 0.088 6 0 "[ . 1 . 2]" 1
60 1 5 ALA H 1 7 CYS HB3 3.900 . 6.000 5.768 5.620 5.872 . 0 0 "[ . 1 . 2]" 1
61 1 5 ALA H 1 8 ALA H 3.530 . 5.260 4.791 4.731 4.835 . 0 0 "[ . 1 . 2]" 1
62 1 5 ALA H 1 8 ALA MB 3.250 . 4.700 4.705 4.643 4.732 0.032 2 0 "[ . 1 . 2]" 1
63 1 5 ALA H 1 9 THR H 3.825 . 5.850 5.808 5.697 5.914 0.064 12 0 "[ . 1 . 2]" 1
64 1 5 ALA HA 1 7 CYS H 3.110 . 4.420 3.634 3.515 3.728 . 0 0 "[ . 1 . 2]" 1
65 1 5 ALA HA 1 8 ALA MB 2.655 . 3.510 3.469 3.282 3.550 0.040 16 0 "[ . 1 . 2]" 1
66 1 5 ALA HA 1 9 THR MG 2.730 . 3.660 2.570 2.310 2.814 . 0 0 "[ . 1 . 2]" 1
67 1 5 ALA MB 1 6 THR H 2.695 . 3.590 2.913 2.861 2.954 . 0 0 "[ . 1 . 2]" 1
68 1 5 ALA MB 1 9 THR MG 2.965 . 4.130 3.183 2.962 3.425 . 0 0 "[ . 1 . 2]" 1
69 1 6 THR H 1 6 THR HB 2.830 . 3.860 2.407 2.341 2.497 . 0 0 "[ . 1 . 2]" 1
70 1 6 THR H 1 6 THR MG 2.845 . 3.890 3.703 3.668 3.723 . 0 0 "[ . 1 . 2]" 1
71 1 6 THR H 1 7 CYS H 3.060 . 4.320 2.499 2.440 2.552 . 0 0 "[ . 1 . 2]" 1
72 1 6 THR H 1 7 CYS HB2 3.255 . 4.710 4.217 4.150 4.269 . 0 0 "[ . 1 . 2]" 1
73 1 6 THR H 1 7 CYS HB3 3.250 . 4.700 4.662 4.489 4.728 0.028 8 0 "[ . 1 . 2]" 1
74 1 6 THR H 1 8 ALA H 3.310 . 4.820 4.169 4.047 4.263 . 0 0 "[ . 1 . 2]" 1
75 1 6 THR HA 1 6 THR MG 2.620 . 3.440 2.384 2.303 2.468 . 0 0 "[ . 1 . 2]" 1
76 1 6 THR HA 1 7 CYS HB3 3.835 . 5.870 5.813 5.733 5.871 0.001 8 0 "[ . 1 . 2]" 1
77 1 6 THR HB 1 7 CYS H 3.235 . 4.670 3.315 3.140 3.467 . 0 0 "[ . 1 . 2]" 1
78 1 6 THR HB 1 7 CYS HB2 3.510 . 5.220 3.367 3.170 3.678 . 0 0 "[ . 1 . 2]" 1
79 1 6 THR MG 1 7 CYS H 3.035 . 4.270 3.958 3.874 4.016 . 0 0 "[ . 1 . 2]" 1
80 1 6 THR MG 1 7 CYS HA 3.300 . 4.800 3.742 3.653 3.820 . 0 0 "[ . 1 . 2]" 1
81 1 6 THR MG 1 7 CYS HB2 3.850 . 5.900 3.702 3.572 3.810 . 0 0 "[ . 1 . 2]" 1
82 1 6 THR MG 1 7 CYS HB3 3.355 . 4.910 4.995 4.944 5.027 0.117 4 0 "[ . 1 . 2]" 1
83 1 6 THR MG 1 10 GLN HE21 3.075 . 4.350 3.834 3.465 3.998 . 0 0 "[ . 1 . 2]" 1
84 1 6 THR MG 1 10 GLN HE22 3.335 . 4.870 4.798 4.393 4.916 0.046 6 0 "[ . 1 . 2]" 1
85 1 6 THR MG 1 10 GLN HG2 3.315 . 4.830 4.451 4.223 4.648 . 0 0 "[ . 1 . 2]" 1
86 1 6 THR MG 1 10 GLN HG3 3.190 . 4.580 4.515 4.278 4.595 0.015 11 0 "[ . 1 . 2]" 1
87 1 7 CYS H 1 7 CYS HB2 2.855 . 3.910 2.764 2.673 2.809 . 0 0 "[ . 1 . 2]" 1
88 1 7 CYS H 1 7 CYS HB3 2.820 . 3.840 2.710 2.594 2.794 . 0 0 "[ . 1 . 2]" 1
89 1 7 CYS H 1 8 ALA MB 3.035 . 4.270 3.704 3.638 3.758 . 0 0 "[ . 1 . 2]" 1
90 1 7 CYS H 1 9 THR MG 2.945 . 4.090 4.106 4.088 4.125 0.035 1 0 "[ . 1 . 2]" 1
91 1 7 CYS H 1 10 GLN HB2 3.700 . 5.600 5.613 5.505 5.641 0.041 1 0 "[ . 1 . 2]" 1
92 1 7 CYS H 1 10 GLN HG3 3.745 . 5.690 5.443 5.282 5.586 . 0 0 "[ . 1 . 2]" 1
93 1 7 CYS HA 1 8 ALA MB 3.500 . 5.200 5.005 4.985 5.026 . 0 0 "[ . 1 . 2]" 1
94 1 7 CYS HA 1 9 THR H 3.255 . 4.710 3.915 3.802 4.055 . 0 0 "[ . 1 . 2]" 1
95 1 7 CYS HA 1 10 GLN H 3.025 . 4.250 3.338 3.161 3.499 . 0 0 "[ . 1 . 2]" 1
96 1 7 CYS HA 1 10 GLN HB2 3.230 . 4.660 3.182 3.017 3.277 . 0 0 "[ . 1 . 2]" 1
97 1 7 CYS HA 1 10 GLN HB3 3.300 . 4.800 4.463 4.306 4.602 . 0 0 "[ . 1 . 2]" 1
98 1 7 CYS HA 1 11 ARG H 3.315 . 4.830 4.437 4.277 4.609 . 0 0 "[ . 1 . 2]" 1
99 1 7 CYS HB2 1 8 ALA H 2.890 . 3.980 3.525 3.410 3.653 . 0 0 "[ . 1 . 2]" 1
100 1 7 CYS HB2 1 8 ALA HA 3.665 . 5.530 5.335 5.225 5.432 . 0 0 "[ . 1 . 2]" 1
101 1 7 CYS HB2 1 8 ALA MB 3.560 . 5.320 4.944 4.812 5.109 . 0 0 "[ . 1 . 2]" 1
102 1 7 CYS HB2 1 9 THR H 3.360 . 4.920 5.122 5.105 5.152 0.232 18 0 "[ . 1 . 2]" 1
103 1 7 CYS HB2 1 10 GLN H 3.680 . 5.560 5.495 5.357 5.584 0.024 16 0 "[ . 1 . 2]" 1
104 1 7 CYS HB3 1 8 ALA H 2.890 . 3.980 2.360 2.174 2.544 . 0 0 "[ . 1 . 2]" 1
105 1 7 CYS HB3 1 8 ALA HA 3.900 . 6.000 3.832 3.693 3.954 . 0 0 "[ . 1 . 2]" 1
106 1 7 CYS HB3 1 8 ALA MB 3.585 . 5.370 3.657 3.478 3.870 . 0 0 "[ . 1 . 2]" 1
107 1 8 ALA H 1 8 ALA MB 2.495 . 3.190 2.189 2.161 2.203 . 0 0 "[ . 1 . 2]" 1
108 1 8 ALA HA 1 11 ARG QD 3.040 . 4.280 3.778 2.828 3.918 . 0 0 "[ . 1 . 2]" 1
109 1 8 ALA HA 1 11 ARG HE 3.715 . 5.630 5.127 4.824 5.383 . 0 0 "[ . 1 . 2]" 1
110 1 8 ALA HA 1 11 ARG HG2 3.300 . 4.800 2.167 2.041 2.803 . 0 0 "[ . 1 . 2]" 1
111 1 8 ALA HA 1 11 ARG HG3 3.145 . 4.490 2.612 1.915 2.932 . 0 0 "[ . 1 . 2]" 1
112 1 8 ALA MB 1 9 THR H 2.665 . 3.530 2.775 2.658 2.858 . 0 0 "[ . 1 . 2]" 1
113 1 8 ALA MB 1 9 THR MG 3.020 . 4.240 3.331 3.060 3.463 . 0 0 "[ . 1 . 2]" 1
114 1 8 ALA MB 1 10 GLN H 3.230 . 4.660 4.383 4.327 4.433 . 0 0 "[ . 1 . 2]" 1
115 1 8 ALA MB 1 11 ARG QD 3.355 . 4.910 4.793 3.035 5.021 0.111 3 0 "[ . 1 . 2]" 1
116 1 8 ALA MB 1 12 LEU MD2 3.745 . 5.690 4.293 4.108 4.490 . 0 0 "[ . 1 . 2]" 1
117 1 9 THR H 1 9 THR MG 2.755 . 3.710 2.465 2.386 2.533 . 0 0 "[ . 1 . 2]" 1
118 1 9 THR H 1 10 GLN HB2 3.460 . 5.120 4.724 4.669 4.811 . 0 0 "[ . 1 . 2]" 1
119 1 9 THR H 1 10 GLN HG2 3.370 . 4.940 3.722 3.598 3.913 . 0 0 "[ . 1 . 2]" 1
120 1 9 THR H 1 11 ARG QB 3.710 . 5.620 5.006 4.774 5.765 0.145 12 0 "[ . 1 . 2]" 1
121 1 9 THR H 1 11 ARG QD 3.795 . 5.790 5.721 4.907 5.883 0.093 19 0 "[ . 1 . 2]" 1
122 1 9 THR HA 1 9 THR MG 2.820 . 3.840 2.226 2.202 2.255 . 0 0 "[ . 1 . 2]" 1
123 1 9 THR HA 1 12 LEU HB3 3.315 . 4.830 3.620 3.510 3.692 . 0 0 "[ . 1 . 2]" 1
124 1 9 THR HA 1 12 LEU MD2 3.300 . 4.800 4.207 4.121 4.387 . 0 0 "[ . 1 . 2]" 1
125 1 9 THR HB 1 12 LEU HB3 3.455 . 5.110 5.153 5.129 5.187 0.077 20 0 "[ . 1 . 2]" 1
126 1 9 THR MG 1 10 GLN H 2.885 . 3.970 3.957 3.920 3.985 0.015 15 0 "[ . 1 . 2]" 1
127 1 9 THR MG 1 12 LEU MD1 2.990 . 4.180 2.495 2.316 2.733 . 0 0 "[ . 1 . 2]" 1
128 1 9 THR MG 1 12 LEU MD2 3.700 . 5.600 4.850 4.723 5.078 . 0 0 "[ . 1 . 2]" 1
129 1 10 GLN H 1 10 GLN HB2 2.580 . 3.360 2.633 2.574 2.675 . 0 0 "[ . 1 . 2]" 1
130 1 10 GLN H 1 10 GLN HE21 3.535 . 5.270 3.569 3.468 3.709 . 0 0 "[ . 1 . 2]" 1
131 1 10 GLN H 1 10 GLN HE22 3.465 . 5.130 4.613 4.448 4.864 . 0 0 "[ . 1 . 2]" 1
132 1 10 GLN H 1 10 GLN HG2 2.775 . 3.750 2.133 2.011 2.225 . 0 0 "[ . 1 . 2]" 1
133 1 10 GLN H 1 10 GLN HG3 3.190 . 4.580 3.654 3.542 3.743 . 0 0 "[ . 1 . 2]" 1
134 1 10 GLN H 1 11 ARG QB 3.275 . 4.750 4.502 4.355 4.721 . 0 0 "[ . 1 . 2]" 1
135 1 10 GLN H 1 11 ARG QD 3.715 . 5.630 4.652 4.365 5.110 . 0 0 "[ . 1 . 2]" 1
136 1 10 GLN H 1 11 ARG HG3 3.670 . 5.540 5.323 3.840 5.573 0.033 5 0 "[ . 1 . 2]" 1
137 1 10 GLN H 1 12 LEU HB3 3.830 . 5.860 5.994 5.956 6.019 0.159 17 0 "[ . 1 . 2]" 1
138 1 10 GLN HA 1 10 GLN HE21 3.090 . 4.380 4.198 3.925 4.392 0.012 1 0 "[ . 1 . 2]" 1
139 1 10 GLN HA 1 10 GLN HE22 3.115 . 4.430 4.200 3.999 4.325 . 0 0 "[ . 1 . 2]" 1
140 1 10 GLN HA 1 10 GLN HG2 3.010 . 4.220 3.313 3.159 3.429 . 0 0 "[ . 1 . 2]" 1
141 1 10 GLN HA 1 10 GLN HG3 2.995 . 4.190 3.817 3.762 3.863 . 0 0 "[ . 1 . 2]" 1
142 1 10 GLN HA 1 13 ALA H 2.795 . 3.790 3.005 2.782 3.185 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLN HA 1 13 ALA MB 2.710 . 3.620 2.355 2.111 2.601 . 0 0 "[ . 1 . 2]" 1
144 1 10 GLN HA 1 14 ASN HD21 3.120 . 4.440 4.166 3.973 4.338 . 0 0 "[ . 1 . 2]" 1
145 1 10 GLN HA 1 14 ASN HD22 3.335 . 4.870 4.610 4.289 4.856 . 0 0 "[ . 1 . 2]" 1
146 1 10 GLN HB2 1 10 GLN HE21 3.215 . 4.630 4.375 4.334 4.402 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLN HB2 1 11 ARG H 2.805 . 3.810 2.552 2.450 2.775 . 0 0 "[ . 1 . 2]" 1
148 1 10 GLN HB2 1 13 ALA H 3.880 . 5.960 5.094 4.999 5.218 . 0 0 "[ . 1 . 2]" 1
149 1 10 GLN HB2 1 14 ASN HD21 3.900 . 6.000 5.242 5.010 5.418 . 0 0 "[ . 1 . 2]" 1
150 1 10 GLN HB3 1 11 ARG H 3.190 . 4.580 3.777 3.626 3.918 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLN HE21 1 10 GLN HG2 2.805 . 3.810 2.107 2.055 2.148 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLN HE21 1 11 ARG H 3.710 . 5.620 5.667 5.628 5.719 0.099 15 0 "[ . 1 . 2]" 1
153 1 10 GLN HE22 1 10 GLN HG2 2.925 . 4.050 3.420 3.406 3.431 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLN HG2 1 11 ARG H 3.065 . 4.330 3.834 3.742 3.982 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLN HG3 1 11 ARG H 3.420 . 5.040 4.749 4.623 4.968 . 0 0 "[ . 1 . 2]" 1
156 1 11 ARG H 1 11 ARG QB 2.590 . 3.380 2.639 2.571 2.727 . 0 0 "[ . 1 . 2]" 1
157 1 11 ARG H 1 11 ARG QD 3.035 . 4.270 2.976 2.802 3.586 . 0 0 "[ . 1 . 2]" 1
158 1 11 ARG H 1 11 ARG HE 3.430 . 5.060 4.919 4.730 5.099 0.039 12 0 "[ . 1 . 2]" 1
159 1 11 ARG H 1 11 ARG HG2 3.280 . 4.760 2.272 1.914 3.811 . 0 0 "[ . 1 . 2]" 1
160 1 11 ARG H 1 11 ARG HG3 2.975 . 4.150 3.519 2.170 3.743 . 0 0 "[ . 1 . 2]" 1
161 1 11 ARG H 1 12 LEU H 2.965 . 4.130 2.526 2.441 2.567 . 0 0 "[ . 1 . 2]" 1
162 1 11 ARG H 1 14 ASN QB 3.605 . 5.410 5.018 4.800 5.268 . 0 0 "[ . 1 . 2]" 1
163 1 11 ARG H 1 14 ASN HD22 3.845 . 5.890 5.780 5.637 5.896 0.006 9 0 "[ . 1 . 2]" 1
164 1 11 ARG HA 1 11 ARG QD 3.225 . 4.650 2.436 2.211 3.684 . 0 0 "[ . 1 . 2]" 1
165 1 11 ARG HA 1 11 ARG HE 3.200 . 4.600 3.459 3.035 4.433 . 0 0 "[ . 1 . 2]" 1
166 1 11 ARG HA 1 14 ASN QB 3.025 . 4.250 2.496 2.208 2.776 . 0 0 "[ . 1 . 2]" 1
167 1 11 ARG HA 1 14 ASN HD21 3.025 . 4.250 3.885 3.308 4.087 . 0 0 "[ . 1 . 2]" 1
168 1 11 ARG HA 1 14 ASN HD22 3.145 . 4.490 4.492 4.137 4.592 0.102 7 0 "[ . 1 . 2]" 1
169 1 11 ARG HA 1 15 PHE H 3.245 . 4.690 4.727 4.623 4.779 0.089 16 0 "[ . 1 . 2]" 1
170 1 11 ARG QB 1 11 ARG QD 2.970 . 4.140 2.818 2.613 2.906 . 0 0 "[ . 1 . 2]" 1
171 1 11 ARG QB 1 11 ARG HE 3.110 . 4.420 2.218 1.887 2.551 . 0 0 "[ . 1 . 2]" 1
172 1 11 ARG QB 1 12 LEU H 2.770 . 3.740 2.624 2.401 3.633 . 0 0 "[ . 1 . 2]" 1
173 1 11 ARG QB 1 14 ASN H 3.400 . 5.000 4.550 4.421 4.641 . 0 0 "[ . 1 . 2]" 1
174 1 11 ARG QB 1 15 PHE H 3.525 . 5.250 5.266 5.220 5.324 0.074 12 0 "[ . 1 . 2]" 1
175 1 11 ARG QD 1 12 LEU H 3.320 . 4.840 4.429 2.212 4.734 . 0 0 "[ . 1 . 2]" 1
176 1 11 ARG QD 1 14 ASN QB 3.560 . 5.320 4.219 3.820 4.932 . 0 0 "[ . 1 . 2]" 1
177 1 11 ARG QD 1 14 ASN HD21 3.900 . 6.000 5.275 4.984 6.154 0.154 12 0 "[ . 1 . 2]" 1
178 1 12 LEU H 1 12 LEU HB3 2.585 . 3.370 3.432 3.420 3.445 0.075 15 0 "[ . 1 . 2]" 1
179 1 12 LEU H 1 12 LEU MD1 2.840 . 3.880 3.684 3.626 3.745 . 0 0 "[ . 1 . 2]" 1
180 1 12 LEU H 1 12 LEU MD2 3.035 . 4.270 3.411 3.282 3.578 . 0 0 "[ . 1 . 2]" 1
181 1 12 LEU H 1 14 ASN QB 3.640 . 5.480 5.000 4.775 5.223 . 0 0 "[ . 1 . 2]" 1
182 1 12 LEU HA 1 12 LEU MD1 2.890 . 3.980 3.817 3.778 3.831 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU HA 1 12 LEU MD2 2.775 . 3.750 1.980 1.931 2.017 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU HA 1 15 PHE HB2 3.300 . 4.800 3.572 3.344 4.227 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU HA 1 15 PHE HB3 3.110 . 4.420 2.283 2.106 2.663 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU HB2 1 12 LEU MD2 2.745 . 3.690 3.203 3.192 3.215 . 0 0 "[ . 1 . 2]" 1
187 1 12 LEU HB2 1 13 ALA H 3.135 . 4.470 2.477 2.385 2.558 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU HB2 1 13 ALA HA 3.040 . 4.280 4.346 4.316 4.366 0.086 13 0 "[ . 1 . 2]" 1
189 1 12 LEU HB2 1 15 PHE QD 3.465 . 5.130 5.090 4.878 5.196 0.066 4 0 "[ . 1 . 2]" 1
190 1 12 LEU HB3 1 12 LEU MD1 2.660 . 3.520 2.312 2.273 2.341 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU HB3 1 12 LEU MD2 2.725 . 3.650 2.548 2.497 2.609 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU HB3 1 13 ALA H 3.025 . 4.250 3.318 3.202 3.413 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU HB3 1 13 ALA HA 3.725 . 5.650 4.095 3.963 4.213 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU MD2 1 15 PHE H 3.665 . 5.530 4.876 4.709 5.064 . 0 0 "[ . 1 . 2]" 1
195 1 12 LEU MD2 1 15 PHE HB2 3.305 . 4.810 4.136 3.899 4.630 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU MD2 1 15 PHE HB3 3.060 . 4.320 3.501 3.287 3.743 . 0 0 "[ . 1 . 2]" 1
197 1 12 LEU MD2 1 15 PHE QD 2.830 . 3.860 3.487 3.166 3.857 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU MD2 1 15 PHE QE 3.170 . 4.540 4.073 3.677 4.490 . 0 0 "[ . 1 . 2]" 1
199 1 13 ALA H 1 13 ALA MB 2.530 . 3.260 2.242 2.217 2.257 . 0 0 "[ . 1 . 2]" 1
200 1 13 ALA H 1 14 ASN HA 3.530 . 5.260 5.221 5.177 5.273 0.013 2 0 "[ . 1 . 2]" 1
201 1 13 ALA H 1 14 ASN QB 3.225 . 4.650 4.629 4.469 4.685 0.035 17 0 "[ . 1 . 2]" 1
202 1 13 ALA H 1 16 LEU MD2 3.015 . 4.230 4.035 3.905 4.179 . 0 0 "[ . 1 . 2]" 1
203 1 13 ALA HA 1 14 ASN H 2.655 . 3.510 3.463 3.425 3.502 . 0 0 "[ . 1 . 2]" 1
204 1 13 ALA HA 1 14 ASN HA 3.750 . 5.700 4.739 4.672 4.799 . 0 0 "[ . 1 . 2]" 1
205 1 13 ALA HA 1 14 ASN HD21 3.195 . 4.590 4.540 4.465 4.596 0.006 19 0 "[ . 1 . 2]" 1
206 1 13 ALA HA 1 15 PHE H 3.545 . 5.290 3.690 3.604 3.823 . 0 0 "[ . 1 . 2]" 1
207 1 13 ALA HA 1 16 LEU H 3.695 . 5.590 3.694 3.223 4.037 . 0 0 "[ . 1 . 2]" 1
208 1 13 ALA HA 1 16 LEU MD1 3.115 . 4.430 4.221 4.097 4.519 0.089 15 0 "[ . 1 . 2]" 1
209 1 13 ALA HA 1 16 LEU MD2 2.940 . 4.080 2.052 1.920 2.250 . 0 0 "[ . 1 . 2]" 1
210 1 13 ALA MB 1 14 ASN H 2.685 . 3.570 2.717 2.638 2.803 . 0 0 "[ . 1 . 2]" 1
211 1 13 ALA MB 1 14 ASN HA 3.060 . 4.320 3.950 3.866 4.020 . 0 0 "[ . 1 . 2]" 1
212 1 13 ALA MB 1 14 ASN QB 3.235 . 4.670 4.344 4.303 4.416 . 0 0 "[ . 1 . 2]" 1
213 1 13 ALA MB 1 14 ASN HD21 3.345 . 4.890 2.564 2.478 2.670 . 0 0 "[ . 1 . 2]" 1
214 1 13 ALA MB 1 14 ASN HD22 3.375 . 4.950 3.522 3.374 3.661 . 0 0 "[ . 1 . 2]" 1
215 1 13 ALA MB 1 15 PHE H 3.220 . 4.640 4.270 4.205 4.415 . 0 0 "[ . 1 . 2]" 1
216 1 13 ALA MB 1 16 LEU MD2 3.125 . 4.450 3.213 3.106 3.391 . 0 0 "[ . 1 . 2]" 1
217 1 13 ALA MB 1 17 VAL MG2 3.080 . 4.360 4.154 3.851 4.394 0.034 11 0 "[ . 1 . 2]" 1
218 1 14 ASN H 1 14 ASN QB 2.550 . 3.300 2.424 2.357 2.485 . 0 0 "[ . 1 . 2]" 1
219 1 14 ASN H 1 14 ASN HD21 3.070 . 4.340 2.157 2.038 2.273 . 0 0 "[ . 1 . 2]" 1
220 1 14 ASN H 1 14 ASN HD22 3.140 . 4.480 3.762 3.694 3.826 . 0 0 "[ . 1 . 2]" 1
221 1 14 ASN H 1 15 PHE H 2.670 . 3.540 2.526 2.332 2.643 . 0 0 "[ . 1 . 2]" 1
222 1 14 ASN H 1 15 PHE HB3 3.155 . 4.510 4.000 3.921 4.150 . 0 0 "[ . 1 . 2]" 1
223 1 14 ASN H 1 15 PHE QD 3.715 . 5.630 5.225 4.774 5.392 . 0 0 "[ . 1 . 2]" 1
224 1 14 ASN H 1 16 LEU MD2 3.000 . 4.200 4.174 4.022 4.239 0.039 6 0 "[ . 1 . 2]" 1
225 1 14 ASN H 1 17 VAL MG1 3.320 . 4.840 4.507 4.263 4.693 . 0 0 "[ . 1 . 2]" 1
226 1 14 ASN HA 1 14 ASN HD21 3.080 . 4.360 2.558 2.426 2.753 . 0 0 "[ . 1 . 2]" 1
227 1 14 ASN HA 1 14 ASN HD22 3.260 . 4.720 3.726 3.633 3.789 . 0 0 "[ . 1 . 2]" 1
228 1 14 ASN HA 1 16 LEU H 3.120 . 4.440 3.709 3.552 3.873 . 0 0 "[ . 1 . 2]" 1
229 1 14 ASN HA 1 17 VAL H 3.070 . 4.340 3.219 2.934 3.430 . 0 0 "[ . 1 . 2]" 1
230 1 14 ASN HA 1 17 VAL HB 3.275 . 4.750 2.131 1.956 2.363 . 0 0 "[ . 1 . 2]" 1
231 1 14 ASN HA 1 17 VAL MG1 2.990 . 4.180 2.114 1.872 2.286 . 0 0 "[ . 1 . 2]" 1
232 1 14 ASN HA 1 17 VAL MG2 2.850 . 3.900 3.378 3.295 3.520 . 0 0 "[ . 1 . 2]" 1
233 1 14 ASN HA 1 18 HIS H 3.320 . 4.840 4.695 4.212 4.885 0.045 13 0 "[ . 1 . 2]" 1
234 1 14 ASN HA 1 18 HIS HD2 3.560 . 5.320 5.129 4.422 5.354 0.034 18 0 "[ . 1 . 2]" 1
235 1 14 ASN QB 1 14 ASN HD21 2.795 . 3.790 2.757 2.624 2.808 . 0 0 "[ . 1 . 2]" 1
236 1 14 ASN QB 1 15 PHE H 2.745 . 3.690 3.323 3.059 3.459 . 0 0 "[ . 1 . 2]" 1
237 1 14 ASN QB 1 15 PHE HB3 3.665 . 5.530 4.427 4.298 4.557 . 0 0 "[ . 1 . 2]" 1
238 1 14 ASN QB 1 16 LEU H 3.200 . 4.600 4.637 4.601 4.666 0.066 11 0 "[ . 1 . 2]" 1
239 1 14 ASN QB 1 17 VAL H 3.285 . 4.770 4.643 4.501 4.789 0.019 6 0 "[ . 1 . 2]" 1
240 1 14 ASN QB 1 17 VAL MG1 3.055 . 4.310 3.057 2.840 3.203 . 0 0 "[ . 1 . 2]" 1
241 1 14 ASN QB 1 17 VAL MG2 3.225 . 4.650 4.702 4.634 4.765 0.115 9 0 "[ . 1 . 2]" 1
242 1 14 ASN HD21 1 15 PHE H 3.330 . 4.860 4.307 4.164 4.357 . 0 0 "[ . 1 . 2]" 1
243 1 14 ASN HD21 1 15 PHE HB3 3.900 . 6.000 6.040 6.003 6.066 0.066 15 0 "[ . 1 . 2]" 1
244 1 14 ASN HD21 1 17 VAL MG1 2.980 . 4.160 4.019 3.711 4.190 0.030 18 0 "[ . 1 . 2]" 1
245 1 14 ASN HD21 1 17 VAL MG2 3.130 . 4.460 4.346 4.036 4.523 0.063 12 0 "[ . 1 . 2]" 1
246 1 15 PHE H 1 15 PHE HB2 2.910 . 4.020 3.244 3.120 3.504 . 0 0 "[ . 1 . 2]" 1
247 1 15 PHE H 1 15 PHE HB3 2.890 . 3.980 2.052 2.000 2.211 . 0 0 "[ . 1 . 2]" 1
248 1 15 PHE H 1 15 PHE QD 2.890 . 3.980 3.299 2.851 3.431 . 0 0 "[ . 1 . 2]" 1
249 1 15 PHE H 1 16 LEU HB2 3.465 . 5.130 5.337 4.787 5.422 0.292 16 0 "[ . 1 . 2]" 1
250 1 15 PHE H 1 16 LEU MD2 2.820 . 3.840 3.271 3.024 3.469 . 0 0 "[ . 1 . 2]" 1
251 1 15 PHE H 1 17 VAL HB 3.340 . 4.880 4.429 4.238 4.896 0.016 15 0 "[ . 1 . 2]" 1
252 1 15 PHE HA 1 16 LEU H 2.655 . 3.510 3.399 3.341 3.454 . 0 0 "[ . 1 . 2]" 1
253 1 15 PHE HB3 1 17 VAL H 3.705 . 5.610 5.240 5.002 5.490 . 0 0 "[ . 1 . 2]" 1
254 1 15 PHE QD 1 16 LEU H 3.015 . 4.230 3.271 2.862 3.436 . 0 0 "[ . 1 . 2]" 1
255 1 15 PHE QD 1 16 LEU HA 3.035 . 4.270 4.262 3.891 4.358 0.088 18 0 "[ . 1 . 2]" 1
256 1 15 PHE QD 1 16 LEU HB2 3.105 . 4.410 3.875 3.668 4.326 . 0 0 "[ . 1 . 2]" 1
257 1 15 PHE QD 1 16 LEU HB3 3.580 . 5.360 2.469 2.163 4.919 . 0 0 "[ . 1 . 2]" 1
258 1 15 PHE QD 1 16 LEU MD1 2.650 . 3.500 3.384 2.682 3.518 0.018 1 0 "[ . 1 . 2]" 1
259 1 15 PHE QD 1 16 LEU MD2 2.810 . 3.820 2.774 1.874 3.052 . 0 0 "[ . 1 . 2]" 1
260 1 15 PHE QE 1 16 LEU H 3.520 . 5.240 5.021 4.624 5.183 . 0 0 "[ . 1 . 2]" 1
261 1 15 PHE QE 1 16 LEU HA 3.340 . 4.880 4.856 4.299 4.925 0.045 5 0 "[ . 1 . 2]" 1
262 1 15 PHE QE 1 16 LEU HB2 3.335 . 4.870 3.837 3.434 5.012 0.142 15 0 "[ . 1 . 2]" 1
263 1 15 PHE QE 1 16 LEU HB3 3.385 . 4.970 3.157 2.886 5.101 0.131 15 0 "[ . 1 . 2]" 1
264 1 15 PHE QE 1 16 LEU MD1 2.740 . 3.680 2.952 1.879 3.236 . 0 0 "[ . 1 . 2]" 1
265 1 15 PHE QE 1 16 LEU MD2 2.880 . 3.960 3.856 2.459 4.023 0.063 1 0 "[ . 1 . 2]" 1
266 1 16 LEU H 1 16 LEU HB2 2.640 . 3.480 3.567 2.554 3.645 0.165 5 0 "[ . 1 . 2]" 1
267 1 16 LEU H 1 16 LEU HB3 2.905 . 4.010 2.601 2.394 3.733 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU H 1 16 LEU MD1 3.185 . 4.570 4.138 3.484 4.245 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU H 1 16 LEU MD2 2.655 . 3.510 2.235 2.059 2.427 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU H 1 17 VAL H 3.080 . 4.360 2.224 2.109 2.370 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU H 1 17 VAL MG1 3.300 . 4.800 3.675 3.482 3.887 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU H 1 17 VAL MG2 3.900 . 6.000 5.079 4.952 5.306 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU HA 1 16 LEU MD1 2.985 . 4.170 3.911 2.253 4.038 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU HA 1 16 LEU MD2 2.835 . 3.870 3.665 3.368 3.712 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU HA 1 17 VAL H 2.670 . 3.540 3.010 2.880 3.485 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU HA 1 18 HIS H 3.265 . 4.730 4.439 3.728 4.801 0.071 15 0 "[ . 1 . 2]" 1
277 1 16 LEU HA 1 19 SER H 3.245 . 4.690 3.545 2.928 4.705 0.015 7 0 "[ . 1 . 2]" 1
278 1 16 LEU HA 1 19 SER HB2 3.245 . 4.690 2.502 1.832 3.996 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU HA 1 19 SER HB3 3.380 . 4.960 3.830 2.977 4.892 . 0 0 "[ . 1 . 2]" 1
280 1 16 LEU HB2 1 16 LEU MD1 2.760 . 3.720 2.356 2.269 3.137 . 0 0 "[ . 1 . 2]" 1
281 1 16 LEU HB2 1 16 LEU MD2 2.585 . 3.370 3.137 2.164 3.224 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU HB2 1 17 VAL H 3.140 . 4.480 4.426 2.394 4.560 0.080 6 0 "[ . 1 . 2]" 1
283 1 16 LEU HB3 1 16 LEU MD1 2.580 . 3.360 2.434 2.355 2.497 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU HB3 1 17 VAL H 3.230 . 4.660 4.160 3.427 4.333 . 0 0 "[ . 1 . 2]" 1
285 1 16 LEU MD2 1 17 VAL H 2.635 . 3.470 3.337 3.066 3.527 0.057 15 0 "[ . 1 . 2]" 1
286 1 17 VAL H 1 17 VAL HB 2.710 . 3.620 2.612 2.163 2.823 . 0 0 "[ . 1 . 2]" 1
287 1 17 VAL H 1 17 VAL MG1 2.905 . 4.010 2.081 1.872 2.723 . 0 0 "[ . 1 . 2]" 1
288 1 17 VAL H 1 17 VAL MG2 2.790 . 3.780 3.781 3.589 3.835 0.055 5 0 "[ . 1 . 2]" 1
289 1 17 VAL H 1 18 HIS H 2.950 . 4.100 2.697 2.336 3.375 . 0 0 "[ . 1 . 2]" 1
290 1 17 VAL H 1 18 HIS HB2 3.900 . 6.000 5.659 5.082 6.166 0.166 6 0 "[ . 1 . 2]" 1
291 1 17 VAL H 1 18 HIS HD2 3.340 . 4.880 4.558 3.479 4.950 0.070 15 0 "[ . 1 . 2]" 1
292 1 17 VAL HA 1 17 VAL MG1 2.695 . 3.590 3.241 3.209 3.263 . 0 0 "[ . 1 . 2]" 1
293 1 17 VAL HA 1 17 VAL MG2 2.605 . 3.410 2.388 2.323 2.462 . 0 0 "[ . 1 . 2]" 1
294 1 17 VAL HA 1 18 HIS H 2.615 . 3.430 3.497 3.433 3.528 0.098 8 0 "[ . 1 . 2]" 1
295 1 17 VAL HA 1 18 HIS HD2 3.560 . 5.320 4.529 3.525 5.368 0.048 9 0 "[ . 1 . 2]" 1
296 1 17 VAL HB 1 18 HIS H 2.915 . 4.030 3.779 3.640 3.912 . 0 0 "[ . 1 . 2]" 1
297 1 17 VAL MG1 1 18 HIS H 2.915 . 4.030 1.874 1.732 2.111 0.068 3 0 "[ . 1 . 2]" 1
298 1 17 VAL MG1 1 18 HIS HB2 2.960 . 4.120 3.300 2.632 4.170 0.050 10 0 "[ . 1 . 2]" 1
299 1 17 VAL MG1 1 18 HIS HB3 3.235 . 4.670 3.917 2.799 4.446 . 0 0 "[ . 1 . 2]" 1
300 1 17 VAL MG1 1 18 HIS HD2 2.885 . 3.970 1.992 1.838 2.106 . 0 0 "[ . 1 . 2]" 1
301 1 17 VAL MG1 1 19 SER H 2.975 . 4.150 3.255 2.813 3.694 . 0 0 "[ . 1 . 2]" 1
302 1 17 VAL MG1 1 19 SER HA 3.310 . 4.820 4.839 4.303 5.008 0.188 3 0 "[ . 1 . 2]" 1
303 1 17 VAL MG1 1 19 SER HB2 3.575 . 5.350 4.559 3.917 5.467 0.117 1 0 "[ . 1 . 2]" 1
304 1 17 VAL MG2 1 18 HIS H 2.945 . 4.090 3.403 3.132 3.636 . 0 0 "[ . 1 . 2]" 1
305 1 17 VAL MG2 1 18 HIS HB2 3.220 . 4.640 4.419 4.173 4.684 0.044 10 0 "[ . 1 . 2]" 1
306 1 17 VAL MG2 1 18 HIS HB3 3.395 . 4.990 4.479 3.117 5.139 0.149 15 0 "[ . 1 . 2]" 1
307 1 17 VAL MG2 1 18 HIS HD2 2.970 . 4.140 2.566 1.772 4.157 0.028 15 0 "[ . 1 . 2]" 1
308 1 18 HIS H 1 18 HIS HB2 2.715 . 3.630 3.025 2.563 3.814 0.184 10 0 "[ . 1 . 2]" 1
309 1 18 HIS H 1 18 HIS HB3 2.985 . 4.170 3.650 3.190 3.903 . 0 0 "[ . 1 . 2]" 1
310 1 18 HIS H 1 18 HIS HD2 3.215 . 4.630 2.733 2.006 3.650 . 0 0 "[ . 1 . 2]" 1
311 1 18 HIS H 1 19 SER H 3.045 . 4.290 1.862 1.742 1.999 0.058 17 0 "[ . 1 . 2]" 1
312 1 18 HIS HA 1 18 HIS HD2 2.980 . 4.160 3.835 3.337 4.226 0.066 5 0 "[ . 1 . 2]" 1
313 1 18 HIS HA 1 19 SER H 2.610 . 3.420 3.095 2.801 3.491 0.071 7 0 "[ . 1 . 2]" 1
314 1 18 HIS HA 1 20 SER H 3.575 . 5.350 3.605 2.817 5.315 . 0 0 "[ . 1 . 2]" 1
315 1 18 HIS HB2 1 19 SER H 3.215 . 4.630 3.682 2.245 4.381 . 0 0 "[ . 1 . 2]" 1
316 1 18 HIS HB3 1 19 SER H 3.210 . 4.620 4.220 3.241 4.568 . 0 0 "[ . 1 . 2]" 1
317 1 18 HIS HD2 1 19 SER H 3.255 . 4.710 4.234 3.396 4.710 . 0 0 "[ . 1 . 2]" 1
318 1 18 HIS HD2 1 20 SER H 3.900 . 6.000 5.856 5.129 6.125 0.125 17 0 "[ . 1 . 2]" 1
319 1 19 SER H 1 19 SER HB3 3.005 . 4.210 3.581 3.317 4.090 . 0 0 "[ . 1 . 2]" 1
320 1 19 SER H 1 23 PHE QD 3.735 . 5.670 5.382 4.650 5.760 0.090 1 0 "[ . 1 . 2]" 1
321 1 19 SER HA 1 21 ASN HB2 3.330 . 4.860 4.609 3.422 4.955 0.095 13 0 "[ . 1 . 2]" 1
322 1 19 SER HA 1 22 ASN H 3.330 . 4.860 3.620 3.192 4.001 . 0 0 "[ . 1 . 2]" 1
323 1 19 SER HA 1 22 ASN HB3 3.540 . 5.280 4.458 3.366 5.368 0.088 2 0 "[ . 1 . 2]" 1
324 1 19 SER HA 1 23 PHE QD 3.440 . 5.080 4.267 3.763 4.836 . 0 0 "[ . 1 . 2]" 1
325 1 19 SER HA 1 23 PHE QE 3.735 . 5.670 5.457 4.524 5.912 0.242 9 0 "[ . 1 . 2]" 1
326 1 19 SER HB2 1 20 SER H 3.225 . 4.650 3.420 2.724 4.414 . 0 0 "[ . 1 . 2]" 1
327 1 19 SER HB2 1 23 PHE QD 3.400 . 5.000 3.569 3.007 4.197 . 0 0 "[ . 1 . 2]" 1
328 1 19 SER HB2 1 23 PHE QE 3.365 . 4.930 4.416 3.155 5.077 0.147 14 0 "[ . 1 . 2]" 1
329 1 19 SER HB3 1 22 ASN HB3 3.445 . 5.090 4.583 3.043 5.146 0.056 19 0 "[ . 1 . 2]" 1
330 1 19 SER HB3 1 23 PHE QD 3.080 . 4.360 3.140 2.452 3.638 . 0 0 "[ . 1 . 2]" 1
331 1 19 SER HB3 1 23 PHE QE 3.420 . 5.040 4.288 2.497 5.230 0.190 6 0 "[ . 1 . 2]" 1
332 1 20 SER H 1 20 SER HB2 2.595 . 3.390 2.673 2.470 3.484 0.094 13 0 "[ . 1 . 2]" 1
333 1 20 SER H 1 20 SER HB3 2.900 . 4.000 3.446 2.657 3.795 . 0 0 "[ . 1 . 2]" 1
334 1 20 SER H 1 21 ASN H 2.875 . 3.950 2.619 1.765 2.892 0.035 14 0 "[ . 1 . 2]" 1
335 1 20 SER H 1 21 ASN HA 3.560 . 5.320 5.215 4.537 5.377 0.057 8 0 "[ . 1 . 2]" 1
336 1 20 SER H 1 21 ASN HB2 3.125 . 4.450 4.451 3.754 4.573 0.123 17 0 "[ . 1 . 2]" 1
337 1 20 SER H 1 22 ASN H 3.205 . 4.610 4.128 3.203 4.336 . 0 0 "[ . 1 . 2]" 1
338 1 20 SER H 1 23 PHE HB3 3.240 . 4.680 4.808 4.686 4.920 0.240 6 0 "[ . 1 . 2]" 1
339 1 20 SER H 1 23 PHE QD 3.900 . 6.000 4.552 3.544 4.969 . 0 0 "[ . 1 . 2]" 1
340 1 20 SER HA 1 21 ASN H 2.615 . 3.430 3.298 3.102 3.456 0.026 8 0 "[ . 1 . 2]" 1
341 1 20 SER HA 1 22 ASN H 3.405 . 5.010 3.873 3.386 4.178 . 0 0 "[ . 1 . 2]" 1
342 1 20 SER HA 1 23 PHE H 3.235 . 4.670 3.985 3.212 4.686 0.016 13 0 "[ . 1 . 2]" 1
343 1 20 SER HA 1 23 PHE HB3 3.230 . 4.660 3.775 2.163 4.730 0.070 13 0 "[ . 1 . 2]" 1
344 1 20 SER HA 1 23 PHE QD 3.520 . 5.240 3.444 2.710 4.154 . 0 0 "[ . 1 . 2]" 1
345 1 20 SER HA 1 23 PHE QE 3.900 . 6.000 3.510 1.844 6.011 0.011 16 0 "[ . 1 . 2]" 1
346 1 20 SER HB2 1 21 ASN H 2.780 . 3.760 3.273 2.565 3.786 0.026 13 0 "[ . 1 . 2]" 1
347 1 20 SER HB2 1 21 ASN HB3 3.900 . 6.000 5.755 5.167 6.047 0.047 3 0 "[ . 1 . 2]" 1
348 1 20 SER HB2 1 21 ASN HD21 3.415 . 5.030 3.768 2.666 5.075 0.045 16 0 "[ . 1 . 2]" 1
349 1 20 SER HB3 1 21 ASN H 3.265 . 4.730 4.172 3.821 4.414 . 0 0 "[ . 1 . 2]" 1
350 1 21 ASN H 1 21 ASN HB2 2.580 . 3.360 2.292 2.023 2.499 . 0 0 "[ . 1 . 2]" 1
351 1 21 ASN H 1 21 ASN HD21 3.190 . 4.580 3.170 2.460 4.209 . 0 0 "[ . 1 . 2]" 1
352 1 21 ASN H 1 21 ASN HD22 3.335 . 4.870 4.458 3.799 5.117 0.247 7 0 "[ . 1 . 2]" 1
353 1 21 ASN H 1 22 ASN H 2.830 . 3.860 2.224 1.882 2.658 . 0 0 "[ . 1 . 2]" 1
354 1 21 ASN H 1 22 ASN HD21 3.900 . 6.000 4.568 3.957 5.713 . 0 0 "[ . 1 . 2]" 1
355 1 21 ASN H 1 23 PHE HB3 3.405 . 5.010 4.995 4.557 5.197 0.187 7 0 "[ . 1 . 2]" 1
356 1 21 ASN H 1 23 PHE QD 3.860 . 5.920 4.144 3.197 5.104 . 0 0 "[ . 1 . 2]" 1
357 1 21 ASN HA 1 21 ASN HD21 3.105 . 4.410 3.819 2.754 4.412 0.002 14 0 "[ . 1 . 2]" 1
358 1 21 ASN HA 1 21 ASN HD22 3.250 . 4.700 4.245 3.487 4.629 . 0 0 "[ . 1 . 2]" 1
359 1 21 ASN HB2 1 21 ASN HD21 2.745 . 3.690 2.159 2.077 2.213 . 0 0 "[ . 1 . 2]" 1
360 1 21 ASN HB2 1 21 ASN HD22 2.900 . 4.000 3.423 3.358 3.480 . 0 0 "[ . 1 . 2]" 1
361 1 21 ASN HB2 1 22 ASN H 2.850 . 3.900 3.533 2.971 3.908 0.008 14 0 "[ . 1 . 2]" 1
362 1 21 ASN HB3 1 22 ASN HD22 3.170 . 4.540 4.154 3.193 4.561 0.021 16 0 "[ . 1 . 2]" 1
363 1 21 ASN HB3 1 25 ALA MB 3.445 . 5.090 4.555 2.742 5.124 0.034 5 0 "[ . 1 . 2]" 1
364 1 22 ASN H 1 22 ASN HB2 2.920 . 4.040 2.405 2.118 2.551 . 0 0 "[ . 1 . 2]" 1
365 1 22 ASN H 1 22 ASN HB3 2.870 . 3.940 3.422 3.287 3.666 . 0 0 "[ . 1 . 2]" 1
366 1 22 ASN H 1 22 ASN HD22 3.330 . 4.860 4.915 4.344 5.082 0.222 20 0 "[ . 1 . 2]" 1
367 1 22 ASN H 1 23 PHE H 2.700 . 3.600 1.778 1.727 1.928 0.073 5 0 "[ . 1 . 2]" 1
368 1 22 ASN H 1 23 PHE HB2 3.360 . 4.920 4.382 2.917 5.153 0.233 18 0 "[ . 1 . 2]" 1
369 1 22 ASN H 1 23 PHE HB3 3.185 . 4.570 4.006 3.538 4.642 0.072 16 0 "[ . 1 . 2]" 1
370 1 22 ASN H 1 23 PHE QD 3.095 . 4.390 2.802 2.009 3.481 . 0 0 "[ . 1 . 2]" 1
371 1 22 ASN H 1 23 PHE QE 3.635 . 5.470 4.465 3.562 5.572 0.102 11 0 "[ . 1 . 2]" 1
372 1 22 ASN H 1 25 ALA MB 3.180 . 4.560 3.631 3.140 4.210 . 0 0 "[ . 1 . 2]" 1
373 1 22 ASN H 1 26 ILE MG 3.170 . 4.540 4.582 4.156 4.731 0.191 14 0 "[ . 1 . 2]" 1
374 1 22 ASN HA 1 22 ASN HD21 3.090 . 4.380 1.927 1.769 3.281 0.031 7 0 "[ . 1 . 2]" 1
375 1 22 ASN HA 1 22 ASN HD22 3.195 . 4.590 3.197 2.954 3.773 . 0 0 "[ . 1 . 2]" 1
376 1 22 ASN HA 1 23 PHE H 2.560 . 3.320 3.338 2.973 3.417 0.097 6 0 "[ . 1 . 2]" 1
377 1 22 ASN HA 1 23 PHE QD 3.355 . 4.910 4.559 4.050 4.953 0.043 4 0 "[ . 1 . 2]" 1
378 1 22 ASN HA 1 25 ALA H 3.095 . 4.390 3.572 3.306 3.727 . 0 0 "[ . 1 . 2]" 1
379 1 22 ASN HA 1 25 ALA MB 3.055 . 4.310 2.431 2.078 3.971 . 0 0 "[ . 1 . 2]" 1
380 1 22 ASN HA 1 26 ILE MD 3.495 . 5.190 4.846 4.198 5.146 . 0 0 "[ . 1 . 2]" 1
381 1 22 ASN HB2 1 23 PHE H 3.320 . 4.840 2.899 2.447 3.634 . 0 0 "[ . 1 . 2]" 1
382 1 22 ASN HB2 1 25 ALA MB 3.545 . 5.290 4.665 4.409 5.475 0.185 7 0 "[ . 1 . 2]" 1
383 1 22 ASN HB3 1 22 ASN HD21 2.835 . 3.870 3.443 3.147 3.529 . 0 0 "[ . 1 . 2]" 1
384 1 22 ASN HB3 1 23 PHE QD 3.125 . 4.450 4.226 2.804 4.710 0.260 1 0 "[ . 1 . 2]" 1
385 1 22 ASN HD21 1 23 PHE H 3.545 . 5.290 4.513 4.414 4.592 . 0 0 "[ . 1 . 2]" 1
386 1 22 ASN HD21 1 25 ALA MB 3.170 . 4.540 3.542 3.345 4.444 . 0 0 "[ . 1 . 2]" 1
387 1 22 ASN HD21 1 26 ILE MG 3.145 . 4.490 3.324 1.858 3.819 . 0 0 "[ . 1 . 2]" 1
388 1 22 ASN HD22 1 25 ALA MB 3.135 . 4.470 4.566 4.503 4.636 0.166 11 0 "[ . 1 . 2]" 1
389 1 22 ASN HD22 1 26 ILE MG 3.180 . 4.560 3.507 2.942 4.173 . 0 0 "[ . 1 . 2]" 1
390 1 23 PHE H 1 23 PHE HB2 2.655 . 3.510 2.940 1.827 3.548 0.038 13 0 "[ . 1 . 2]" 1
391 1 23 PHE H 1 23 PHE HB3 2.700 . 3.600 2.569 2.021 3.377 . 0 0 "[ . 1 . 2]" 1
392 1 23 PHE H 1 23 PHE QD 2.905 . 4.010 2.113 1.748 3.264 0.052 13 0 "[ . 1 . 2]" 1
393 1 23 PHE H 1 23 PHE QE 3.565 . 5.330 4.303 3.674 5.444 0.114 2 0 "[ . 1 . 2]" 1
394 1 23 PHE H 1 25 ALA MB 3.150 . 4.500 3.833 3.308 4.325 . 0 0 "[ . 1 . 2]" 1
395 1 23 PHE H 1 26 ILE MG 3.265 . 4.730 4.385 4.040 4.687 . 0 0 "[ . 1 . 2]" 1
396 1 23 PHE HA 1 23 PHE QD 2.635 . 3.470 3.281 2.758 3.586 0.116 14 0 "[ . 1 . 2]" 1
397 1 23 PHE HA 1 24 GLY H 2.670 . 3.540 2.125 1.890 3.283 . 0 0 "[ . 1 . 2]" 1
398 1 23 PHE HB2 1 24 GLY H 2.990 . 4.180 3.874 3.341 4.280 0.100 11 0 "[ . 1 . 2]" 1
399 1 23 PHE HB2 1 25 ALA H 3.900 . 6.000 5.348 5.023 5.576 . 0 0 "[ . 1 . 2]" 1
400 1 23 PHE HB3 1 24 GLY H 2.975 . 4.150 4.153 3.714 4.295 0.145 20 0 "[ . 1 . 2]" 1
401 1 23 PHE HB3 1 25 ALA H 3.750 . 5.700 5.426 5.203 5.763 0.063 4 0 "[ . 1 . 2]" 1
402 1 23 PHE QD 1 24 GLY H 3.210 . 4.620 4.453 4.163 4.648 0.028 7 0 "[ . 1 . 2]" 1
403 1 24 GLY H 1 25 ALA H 2.765 . 3.730 2.502 2.034 2.679 . 0 0 "[ . 1 . 2]" 1
404 1 24 GLY H 1 25 ALA MB 3.015 . 4.230 4.149 3.658 4.275 0.045 11 0 "[ . 1 . 2]" 1
405 1 24 GLY H 1 26 ILE MG 3.010 . 4.220 3.679 3.377 4.094 . 0 0 "[ . 1 . 2]" 1
406 1 24 GLY H 1 27 LEU HB2 3.635 . 5.470 4.024 3.153 5.456 . 0 0 "[ . 1 . 2]" 1
407 1 24 GLY H 1 27 LEU MD1 3.530 . 5.260 4.559 2.563 5.308 0.048 7 0 "[ . 1 . 2]" 1
408 1 24 GLY HA2 1 25 ALA HA 3.325 . 4.850 4.363 4.180 4.582 . 0 0 "[ . 1 . 2]" 1
409 1 24 GLY HA2 1 25 ALA MB 3.125 . 4.450 4.484 4.305 4.567 0.117 14 0 "[ . 1 . 2]" 1
410 1 24 GLY HA2 1 27 LEU MD1 3.810 . 5.820 3.543 2.330 3.826 . 0 0 "[ . 1 . 2]" 1
411 1 24 GLY HA3 1 25 ALA HA 3.170 . 4.540 4.545 4.471 4.578 0.038 8 0 "[ . 1 . 2]" 1
412 1 24 GLY HA3 1 25 ALA MB 3.250 . 4.700 4.734 4.686 4.788 0.088 4 0 "[ . 1 . 2]" 1
413 1 24 GLY HA3 1 27 LEU H 3.095 . 4.390 4.450 4.399 4.530 0.140 16 0 "[ . 1 . 2]" 1
414 1 24 GLY HA3 1 27 LEU MD1 3.020 . 4.240 4.232 3.016 4.441 0.201 8 0 "[ . 1 . 2]" 1
415 1 24 GLY HA3 1 27 LEU MD2 3.110 . 4.420 2.910 2.384 4.272 . 0 0 "[ . 1 . 2]" 1
416 1 24 GLY HA3 1 28 SER H 2.605 . 3.410 3.405 2.894 3.509 0.099 4 0 "[ . 1 . 2]" 1
417 1 25 ALA H 1 25 ALA MB 2.400 . 3.000 2.266 2.123 2.369 . 0 0 "[ . 1 . 2]" 1
418 1 25 ALA H 1 26 ILE H 2.970 . 4.140 1.908 1.790 2.058 0.010 1 0 "[ . 1 . 2]" 1
419 1 25 ALA H 1 26 ILE HA 3.070 . 4.340 4.452 4.391 4.518 0.178 17 0 "[ . 1 . 2]" 1
420 1 25 ALA H 1 26 ILE HB 3.540 . 5.280 4.758 4.498 4.872 . 0 0 "[ . 1 . 2]" 1
421 1 25 ALA H 1 26 ILE MG 2.930 . 4.060 2.961 2.743 3.127 . 0 0 "[ . 1 . 2]" 1
422 1 25 ALA HA 1 26 ILE H 2.560 . 3.320 3.429 3.383 3.460 0.140 8 0 "[ . 1 . 2]" 1
423 1 25 ALA MB 1 26 ILE H 2.680 . 3.560 2.159 1.927 2.425 . 0 0 "[ . 1 . 2]" 1
424 1 25 ALA MB 1 26 ILE HA 3.190 . 4.580 3.823 3.727 3.915 . 0 0 "[ . 1 . 2]" 1
425 1 25 ALA MB 1 26 ILE MG 3.210 . 4.620 2.832 2.509 3.043 . 0 0 "[ . 1 . 2]" 1
426 1 25 ALA MB 1 27 LEU H 3.160 . 4.520 4.004 3.704 4.276 . 0 0 "[ . 1 . 2]" 1
427 1 25 ALA MB 1 28 SER H 3.405 . 5.010 4.695 4.381 5.083 0.073 1 0 "[ . 1 . 2]" 1
428 1 26 ILE H 1 26 ILE HB 2.670 . 3.540 2.895 2.636 3.058 . 0 0 "[ . 1 . 2]" 1
429 1 26 ILE H 1 26 ILE MD 3.520 . 5.240 4.406 4.312 4.490 . 0 0 "[ . 1 . 2]" 1
430 1 26 ILE H 1 26 ILE HG12 2.845 . 3.890 4.035 4.006 4.072 0.182 7 0 "[ . 1 . 2]" 1
431 1 26 ILE H 1 26 ILE HG13 3.250 . 4.700 4.476 4.403 4.538 . 0 0 "[ . 1 . 2]" 1
432 1 26 ILE H 1 26 ILE MG 2.665 . 3.530 1.816 1.767 1.909 0.033 2 0 "[ . 1 . 2]" 1
433 1 26 ILE H 1 27 LEU H 2.845 . 3.890 2.229 2.003 2.513 . 0 0 "[ . 1 . 2]" 1
434 1 26 ILE HA 1 26 ILE MD 2.895 . 3.990 3.858 3.813 3.930 . 0 0 "[ . 1 . 2]" 1
435 1 26 ILE HA 1 26 ILE HG13 2.895 . 3.990 2.619 2.531 2.737 . 0 0 "[ . 1 . 2]" 1
436 1 26 ILE HB 1 26 ILE MD 2.825 . 3.850 2.434 2.404 2.470 . 0 0 "[ . 1 . 2]" 1
437 1 26 ILE HB 1 27 LEU H 2.945 . 4.090 4.060 3.930 4.148 0.058 17 0 "[ . 1 . 2]" 1
438 1 26 ILE HB 1 27 LEU HA 3.775 . 5.750 5.670 5.464 5.759 0.009 2 0 "[ . 1 . 2]" 1
439 1 26 ILE HB 1 28 SER H 3.875 . 5.950 5.933 5.841 6.013 0.063 7 0 "[ . 1 . 2]" 1
440 1 26 ILE HG12 1 26 ILE MG 2.770 . 3.740 2.270 2.189 2.390 . 0 0 "[ . 1 . 2]" 1
441 1 26 ILE HG12 1 27 LEU H 3.170 . 4.540 3.408 3.040 3.630 . 0 0 "[ . 1 . 2]" 1
442 1 26 ILE HG12 1 27 LEU HA 3.180 . 4.560 3.446 3.084 3.580 . 0 0 "[ . 1 . 2]" 1
443 1 26 ILE HG12 1 28 SER H 3.890 . 5.980 5.332 5.128 5.476 . 0 0 "[ . 1 . 2]" 1
444 1 26 ILE HG13 1 27 LEU HA 3.280 . 4.760 4.755 4.399 4.809 0.049 6 0 "[ . 1 . 2]" 1
445 1 26 ILE MG 1 27 LEU H 2.635 . 3.470 2.018 1.788 2.160 0.012 14 0 "[ . 1 . 2]" 1
446 1 26 ILE MG 1 27 LEU HA 2.850 . 3.900 3.544 3.346 3.856 . 0 0 "[ . 1 . 2]" 1
447 1 26 ILE MG 1 28 SER H 2.985 . 4.170 4.251 4.191 4.286 0.116 16 0 "[ . 1 . 2]" 1
448 1 26 ILE MG 1 29 SER H 3.540 . 5.280 4.843 4.553 5.408 0.128 13 0 "[ . 1 . 2]" 1
449 1 27 LEU H 1 27 LEU HB2 2.555 . 3.310 3.129 2.908 3.495 0.185 17 0 "[ . 1 . 2]" 1
450 1 27 LEU H 1 27 LEU MD2 3.100 . 4.400 3.827 3.077 3.991 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU H 1 27 LEU HG 3.255 . 4.710 3.620 1.881 4.009 . 0 0 "[ . 1 . 2]" 1
452 1 27 LEU HA 1 27 LEU MD1 2.915 . 4.030 3.025 2.745 3.725 . 0 0 "[ . 1 . 2]" 1
453 1 27 LEU HA 1 29 SER H 3.245 . 4.690 4.102 3.804 4.757 0.067 7 0 "[ . 1 . 2]" 1
454 1 27 LEU HB2 1 28 SER H 2.875 . 3.950 3.992 3.879 4.036 0.086 3 0 "[ . 1 . 2]" 1
455 1 27 LEU HB3 1 28 SER H 3.230 . 4.660 3.034 2.783 4.146 . 0 0 "[ . 1 . 2]" 1
456 1 27 LEU HB3 1 28 SER HA 3.375 . 4.950 5.030 4.957 5.192 0.242 17 0 "[ . 1 . 2]" 1
457 1 27 LEU HB3 1 29 SER H 3.690 . 5.580 4.947 4.423 5.623 0.043 1 0 "[ . 1 . 2]" 1
458 1 27 LEU MD1 1 28 SER H 3.135 . 4.470 3.486 2.614 3.890 . 0 0 "[ . 1 . 2]" 1
459 1 27 LEU MD1 1 28 SER HA 2.700 . 3.600 3.033 2.292 3.589 . 0 0 "[ . 1 . 2]" 1
460 1 27 LEU MD1 1 28 SER HB2 3.175 . 4.550 4.393 3.635 4.630 0.080 15 0 "[ . 1 . 2]" 1
461 1 27 LEU MD2 1 28 SER HA 3.370 . 4.940 4.830 4.570 5.013 0.073 17 0 "[ . 1 . 2]" 1
462 1 27 LEU HG 1 28 SER H 3.230 . 4.660 2.635 2.355 2.996 . 0 0 "[ . 1 . 2]" 1
463 1 27 LEU HG 1 28 SER HA 3.020 . 4.240 3.464 3.157 4.264 0.024 17 0 "[ . 1 . 2]" 1
464 1 28 SER H 1 28 SER HB2 2.960 . 4.120 2.606 2.298 3.605 . 0 0 "[ . 1 . 2]" 1
465 1 28 SER H 1 30 THR MG 3.900 . 6.000 4.492 3.695 5.811 . 0 0 "[ . 1 . 2]" 1
466 1 28 SER HB2 1 29 SER H 3.275 . 4.750 3.528 2.500 4.403 . 0 0 "[ . 1 . 2]" 1
467 1 28 SER HB2 1 30 THR H 3.405 . 5.010 3.661 2.878 4.957 . 0 0 "[ . 1 . 2]" 1
468 1 28 SER HB3 1 29 SER H 2.865 . 3.930 3.786 2.817 4.090 0.160 5 0 "[ . 1 . 2]" 1
469 1 28 SER HB3 1 30 THR H 2.845 . 3.890 3.443 2.827 3.926 0.036 10 0 "[ . 1 . 2]" 1
470 1 29 SER H 1 30 THR H 2.750 . 3.700 2.770 2.414 3.265 . 0 0 "[ . 1 . 2]" 1
471 1 29 SER H 1 30 THR MG 3.210 . 4.620 3.906 3.375 4.674 0.054 5 0 "[ . 1 . 2]" 1
472 1 29 SER HA 1 30 THR H 2.585 . 3.370 3.072 2.728 3.412 0.042 17 0 "[ . 1 . 2]" 1
473 1 29 SER HA 1 30 THR MG 3.165 . 4.530 4.382 3.341 4.639 0.109 7 0 "[ . 1 . 2]" 1
474 1 29 SER HB2 1 30 THR H 3.250 . 4.700 3.809 2.888 4.492 . 0 0 "[ . 1 . 2]" 1
475 1 29 SER HB2 1 31 ASN H 3.530 . 5.260 5.093 3.168 5.366 0.106 2 0 "[ . 1 . 2]" 1
476 1 29 SER HB3 1 30 THR H 3.340 . 4.880 4.277 3.377 4.506 . 0 0 "[ . 1 . 2]" 1
477 1 30 THR H 1 30 THR HB 2.830 . 3.860 2.819 2.418 3.973 0.113 15 0 "[ . 1 . 2]" 1
478 1 30 THR H 1 30 THR MG 2.740 . 3.680 2.127 1.788 3.279 0.012 7 0 "[ . 1 . 2]" 1
479 1 30 THR H 1 31 ASN H 2.570 . 3.340 2.639 2.261 3.361 0.021 15 0 "[ . 1 . 2]" 1
480 1 30 THR HA 1 30 THR MG 2.690 . 3.580 3.026 2.160 3.247 . 0 0 "[ . 1 . 2]" 1
481 1 30 THR HA 1 31 ASN H 2.685 . 3.570 3.367 2.937 3.492 . 0 0 "[ . 1 . 2]" 1
482 1 30 THR HB 1 31 ASN H 3.185 . 4.570 4.161 3.416 4.584 0.014 7 0 "[ . 1 . 2]" 1
483 1 30 THR MG 1 31 ASN H 2.945 . 4.090 2.948 2.110 4.186 0.096 19 0 "[ . 1 . 2]" 1
484 1 30 THR MG 1 31 ASN HD21 3.455 . 5.110 4.556 2.091 5.245 0.135 15 0 "[ . 1 . 2]" 1
485 1 30 THR MG 1 32 VAL MG2 3.430 . 5.060 4.795 4.250 5.169 0.109 13 0 "[ . 1 . 2]" 1
486 1 31 ASN H 1 31 ASN HD21 3.270 . 4.740 4.027 2.354 4.816 0.076 2 0 "[ . 1 . 2]" 1
487 1 31 ASN H 1 31 ASN HD22 3.740 . 5.680 4.791 3.184 5.754 0.074 12 0 "[ . 1 . 2]" 1
488 1 31 ASN H 1 32 VAL H 2.875 . 3.950 2.362 1.855 3.508 . 0 0 "[ . 1 . 2]" 1
489 1 31 ASN H 1 32 VAL HB 3.435 . 5.070 4.715 4.136 5.263 0.193 15 0 "[ . 1 . 2]" 1
490 1 31 ASN H 1 32 VAL MG2 3.065 . 4.330 3.077 2.762 3.464 . 0 0 "[ . 1 . 2]" 1
491 1 31 ASN HA 1 31 ASN HD22 3.305 . 4.810 4.317 3.447 5.019 0.209 10 0 "[ . 1 . 2]" 1
492 1 31 ASN HA 1 32 VAL H 2.530 . 3.260 3.031 2.092 3.317 0.057 13 0 "[ . 1 . 2]" 1
493 1 31 ASN HA 1 33 GLY H 3.180 . 4.560 3.518 2.982 3.985 . 0 0 "[ . 1 . 2]" 1
494 1 31 ASN HA 1 34 SER H 3.725 . 5.650 5.173 3.417 5.735 0.085 12 0 "[ . 1 . 2]" 1
495 1 31 ASN QB 1 32 VAL H 3.300 . 4.800 3.507 2.808 4.025 . 0 0 "[ . 1 . 2]" 1
496 1 32 VAL H 1 32 VAL HB 2.730 . 3.660 2.822 2.479 3.694 0.034 3 0 "[ . 1 . 2]" 1
497 1 32 VAL H 1 32 VAL MG2 2.530 . 3.260 2.216 1.910 3.019 . 0 0 "[ . 1 . 2]" 1
498 1 32 VAL H 1 33 GLY H 2.680 . 3.560 2.216 1.855 2.636 . 0 0 "[ . 1 . 2]" 1
499 1 32 VAL HA 1 32 VAL MG1 2.685 . 3.570 2.385 2.320 2.485 . 0 0 "[ . 1 . 2]" 1
500 1 32 VAL HA 1 33 GLY H 2.685 . 3.570 3.325 2.815 3.534 . 0 0 "[ . 1 . 2]" 1
501 1 32 VAL HB 1 33 GLY H 3.000 . 4.200 3.332 2.332 4.300 0.100 1 0 "[ . 1 . 2]" 1
502 1 32 VAL MG1 1 33 GLY H 3.130 . 4.460 3.971 3.372 4.255 . 0 0 "[ . 1 . 2]" 1
503 1 32 VAL MG1 1 34 SER H 3.900 . 6.000 3.998 3.228 5.191 . 0 0 "[ . 1 . 2]" 1
504 1 32 VAL MG2 1 33 GLY H 3.200 . 4.600 3.678 2.442 4.092 . 0 0 "[ . 1 . 2]" 1
505 1 32 VAL MG2 1 34 SER H 3.040 . 4.280 4.036 2.553 4.389 0.109 4 0 "[ . 1 . 2]" 1
506 1 33 GLY H 1 34 SER H 2.625 . 3.450 2.212 1.791 2.449 0.009 4 0 "[ . 1 . 2]" 1
507 1 33 GLY H 1 34 SER HB2 3.580 . 5.360 4.698 4.088 5.368 0.008 13 0 "[ . 1 . 2]" 1
508 1 33 GLY QA 1 34 SER H 2.460 . 3.120 2.844 2.702 2.976 . 0 0 "[ . 1 . 2]" 1
509 1 34 SER H 1 35 ASN H 2.860 . 3.920 2.517 1.884 3.713 . 0 0 "[ . 1 . 2]" 1
510 1 34 SER H 1 35 ASN HA 3.900 . 6.000 4.848 4.170 5.433 . 0 0 "[ . 1 . 2]" 1
511 1 34 SER H 1 35 ASN HB2 3.250 . 4.700 4.577 4.015 4.785 0.085 17 0 "[ . 1 . 2]" 1
512 1 34 SER HB2 1 35 ASN H 3.675 . 5.550 3.596 1.971 4.553 . 0 0 "[ . 1 . 2]" 1
513 1 34 SER HB3 1 35 ASN H 3.030 . 4.260 3.672 2.412 4.350 0.090 13 0 "[ . 1 . 2]" 1
514 1 35 ASN H 1 35 ASN HB2 2.715 . 3.630 2.923 2.355 3.616 . 0 0 "[ . 1 . 2]" 1
515 1 35 ASN H 1 35 ASN HB3 2.980 . 4.160 3.194 2.468 4.133 . 0 0 "[ . 1 . 2]" 1
516 1 35 ASN H 1 35 ASN QD 3.325 . 4.850 4.532 3.747 4.882 0.032 1 0 "[ . 1 . 2]" 1
517 1 35 ASN H 1 36 THR H 2.840 . 3.880 2.890 1.757 3.965 0.085 19 0 "[ . 1 . 2]" 1
518 1 35 ASN H 1 36 THR MG 3.410 . 5.020 4.441 2.959 5.189 0.169 9 0 "[ . 1 . 2]" 1
519 1 35 ASN HA 1 36 THR H 2.610 . 3.420 2.765 2.056 3.491 0.071 11 0 "[ . 1 . 2]" 1
520 1 35 ASN HB2 1 36 THR H 3.320 . 4.840 4.103 2.916 4.602 . 0 0 "[ . 1 . 2]" 1
521 1 35 ASN HB3 1 36 THR H 3.500 . 5.200 3.905 2.641 4.482 . 0 0 "[ . 1 . 2]" 1
522 1 36 THR H 1 36 THR HB 2.840 . 3.880 3.138 2.510 3.616 . 0 0 "[ . 1 . 2]" 1
523 1 36 THR H 1 36 THR MG 2.905 . 4.010 3.103 2.008 3.923 . 0 0 "[ . 1 . 2]" 1
524 1 36 THR HA 1 36 THR MG 2.835 . 3.870 2.292 2.171 3.248 . 0 0 "[ . 1 . 2]" 1
525 1 37 TYC HB1 1 37 TYC HT21 3.405 . 5.010 3.572 2.595 4.073 . 0 0 "[ . 1 . 2]" 1
526 1 37 TYC HB2 1 37 TYC HT21 3.365 . 4.930 3.580 1.880 4.513 . 0 0 "[ . 1 . 2]" 1
527 1 37 TYC HB2 1 37 TYC HT22 3.450 . 5.100 4.288 3.420 4.765 . 0 0 "[ . 1 . 2]" 1
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