NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403758 |
1wr3   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wr3
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 432
_Distance_constraint_stats_list.Viol_count 1340
_Distance_constraint_stats_list.Viol_total 9190.771
_Distance_constraint_stats_list.Viol_max 2.818
_Distance_constraint_stats_list.Viol_rms 0.2364
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0532
_Distance_constraint_stats_list.Viol_average_violations_only 0.3429
_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 4 PRO 1.241 0.399 3 0 "[ . 1 . 2]"
1 5 LEU 44.610 1.419 4 20 [***+******-*********]
1 6 PRO 2.024 0.477 1 0 "[ . 1 . 2]"
1 7 PRO 5.672 0.329 19 0 "[ . 1 . 2]"
1 8 GLY 7.089 0.329 19 0 "[ . 1 . 2]"
1 9 TRP 56.141 2.178 13 20 [-***********+*******]
1 10 GLU 17.452 0.498 19 0 "[ . 1 . 2]"
1 11 GLU 24.397 1.632 17 9 "[* *** *1- *.*+ 2]"
1 12 LYS 22.956 0.762 1 3 "[+ . 1 . * -]"
1 13 VAL 69.424 1.974 15 20 [**************+****-]
1 14 ASP 5.691 0.581 19 3 "[ . 1 * . - +2]"
1 15 ASN 0.208 0.180 18 0 "[ . 1 . 2]"
1 16 LEU 3.860 0.653 11 1 "[ . 1+ . 2]"
1 17 GLY 4.120 0.653 11 1 "[ . 1+ . 2]"
1 18 ARG 47.618 1.974 15 19 "[**************+* **-]"
1 19 THR 14.575 0.410 5 0 "[ . 1 . 2]"
1 20 TYR 53.048 1.546 1 18 "[+** *****1*-********]"
1 21 TYR 30.366 1.632 17 12 "[* *- * *1** *.*+* *]"
1 22 VAL 33.831 1.503 6 20 [*****+***-**********]
1 23 ASN 9.749 0.418 5 0 "[ . 1 . 2]"
1 24 HIS 122.909 2.818 6 20 [*****+***-**********]
1 25 ASN 2.685 0.266 6 0 "[ . 1 . 2]"
1 26 ASN 0.114 0.096 2 0 "[ . 1 . 2]"
1 27 ARG 88.202 2.818 6 20 [*****+************-*]
1 28 SER 1.445 0.220 1 0 "[ . 1 . 2]"
1 29 THR 26.692 0.778 17 18 "[******** ****-**+* *]"
1 30 GLN 49.169 0.839 12 18 "[******** **+****-* *]"
1 31 TRP 41.173 0.886 20 7 "[ ** . 1*- . ** +]"
1 32 HIS 17.419 0.649 12 17 "[**- *** **+********]"
1 33 ARG 49.338 2.178 13 20 [**-*********+*******]
1 34 PRO 4.218 0.404 8 0 "[ . 1 . 2]"
1 35 SER 1.494 0.538 4 1 "[ +. 1 . 2]"
1 36 LEU 0.945 0.538 4 1 "[ +. 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 4 PRO HB2 1 5 LEU H 2.800 . 3.800 3.308 1.840 4.199 0.399 3 0 "[ . 1 . 2]" 1
2 1 4 PRO HB3 1 5 LEU H 3.200 . 4.500 3.928 3.139 4.475 . 0 0 "[ . 1 . 2]" 1
3 1 5 LEU H 1 5 LEU HA 2.000 . 2.500 2.890 2.796 2.944 0.444 18 0 "[ . 1 . 2]" 1
4 1 5 LEU H 1 5 LEU HB2 2.300 . 3.000 2.541 2.078 3.348 0.348 1 0 "[ . 1 . 2]" 1
5 1 5 LEU H 1 5 LEU HB3 2.300 . 3.000 2.972 2.032 3.272 0.272 19 0 "[ . 1 . 2]" 1
6 1 5 LEU H 1 5 LEU QD 2.800 . 3.700 3.468 2.292 3.813 0.113 19 0 "[ . 1 . 2]" 1
7 1 5 LEU H 1 5 LEU HG 2.600 . 3.500 4.633 3.870 4.919 1.419 4 19 "[ **+*-**************]" 1
8 1 5 LEU HA 1 6 PRO HD2 2.700 . 3.600 2.620 2.448 3.001 . 0 0 "[ . 1 . 2]" 1
9 1 5 LEU HA 1 6 PRO HD3 2.500 . 3.300 1.885 1.799 2.049 . 0 0 "[ . 1 . 2]" 1
10 1 5 LEU HB3 1 9 TRP HB2 3.100 . 4.300 3.670 2.577 4.850 0.550 1 1 "[+ . 1 . 2]" 1
11 1 5 LEU HB3 1 9 TRP HB3 3.500 . 5.100 4.575 3.265 5.235 0.135 6 0 "[ . 1 . 2]" 1
12 1 5 LEU QD 1 6 PRO HD2 2.900 . 3.900 2.442 1.664 2.882 0.236 20 0 "[ . 1 . 2]" 1
13 1 5 LEU QD 1 6 PRO HD3 3.600 . 3.800 2.939 2.243 3.887 0.087 1 0 "[ . 1 . 2]" 1
14 1 5 LEU QD 1 9 TRP H 3.300 . 4.700 4.141 3.766 4.425 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU QD 1 9 TRP HB2 3.000 . 4.100 2.699 2.282 3.013 . 0 0 "[ . 1 . 2]" 1
16 1 5 LEU QD 1 9 TRP HB3 3.100 . 4.300 2.258 1.703 2.525 0.197 1 0 "[ . 1 . 2]" 1
17 1 5 LEU QD 1 9 TRP HD1 3.700 . 5.100 4.253 3.627 4.676 . 0 0 "[ . 1 . 2]" 1
18 1 5 LEU QD 1 9 TRP HE3 3.300 . 4.700 3.686 3.066 4.106 . 0 0 "[ . 1 . 2]" 1
19 1 5 LEU QD 1 10 GLU H 3.100 . 4.300 3.830 3.325 4.318 0.018 17 0 "[ . 1 . 2]" 1
20 1 5 LEU QD 1 11 GLU QB 3.000 . 4.100 1.868 1.705 2.202 0.195 9 0 "[ . 1 . 2]" 1
21 1 5 LEU QD 1 11 GLU H 2.500 . 3.300 3.436 2.585 4.276 0.976 1 5 "[+ * . 1- .** 2]" 1
22 1 5 LEU QD 1 11 GLU QB 2.600 . 3.400 3.067 2.322 4.059 0.659 1 1 "[+ . 1 . 2]" 1
23 1 5 LEU QD 1 21 TYR QD 2.200 . 2.800 2.053 1.667 2.469 0.033 9 0 "[ . 1 . 2]" 1
24 1 5 LEU QD 1 22 VAL H 3.600 . 5.300 4.710 4.104 5.192 . 0 0 "[ . 1 . 2]" 1
25 1 5 LEU QD 1 33 ARG HA 3.900 . 4.600 3.986 3.268 4.458 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU HG 1 6 PRO HD2 2.900 . 3.900 2.800 2.469 3.314 . 0 0 "[ . 1 . 2]" 1
27 1 5 LEU HG 1 6 PRO HD3 3.000 . 4.100 3.728 3.234 4.078 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU HG 1 9 TRP H 3.200 . 4.500 4.178 3.793 4.700 0.200 12 0 "[ . 1 . 2]" 1
29 1 5 LEU HG 1 9 TRP HB2 2.700 . 3.600 2.005 1.699 2.430 0.101 4 0 "[ . 1 . 2]" 1
30 1 5 LEU HG 1 9 TRP HB3 3.100 . 4.300 2.453 1.988 2.962 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU HG 1 9 TRP HD1 3.300 . 4.600 3.964 3.442 4.400 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU HG 1 9 TRP HE3 4.000 . 6.000 4.746 4.002 5.168 . 0 0 "[ . 1 . 2]" 1
33 1 6 PRO HB2 1 9 TRP H 3.500 . 5.000 4.290 4.012 4.596 . 0 0 "[ . 1 . 2]" 1
34 1 6 PRO HB2 1 9 TRP HD1 2.200 . 2.800 1.826 1.753 2.019 . 0 0 "[ . 1 . 2]" 1
35 1 6 PRO HB2 1 9 TRP HE1 3.100 . 4.300 2.831 2.517 3.203 . 0 0 "[ . 1 . 2]" 1
36 1 6 PRO HB3 1 9 TRP HD1 2.700 . 3.600 3.556 3.462 3.693 0.093 14 0 "[ . 1 . 2]" 1
37 1 6 PRO HB3 1 9 TRP HE1 3.400 . 4.900 4.139 3.835 4.473 . 0 0 "[ . 1 . 2]" 1
38 1 6 PRO HD2 1 9 TRP HD1 2.700 . 3.600 2.659 2.304 3.372 . 0 0 "[ . 1 . 2]" 1
39 1 6 PRO HD2 1 9 TRP HE1 3.500 . 5.000 3.787 3.286 4.028 . 0 0 "[ . 1 . 2]" 1
40 1 6 PRO HD2 1 34 PRO QB 3.300 . 4.700 3.786 2.552 4.652 . 0 0 "[ . 1 . 2]" 1
41 1 6 PRO HD2 1 34 PRO HG2 3.300 . 4.600 2.957 2.551 3.982 . 0 0 "[ . 1 . 2]" 1
42 1 6 PRO HD3 1 9 TRP HD1 3.100 . 4.300 4.232 3.928 4.777 0.477 1 0 "[ . 1 . 2]" 1
43 1 6 PRO HD3 1 34 PRO QB 3.400 . 4.800 3.988 2.535 4.659 . 0 0 "[ . 1 . 2]" 1
44 1 6 PRO HD3 1 34 PRO HG2 3.300 . 4.700 3.398 2.948 3.943 . 0 0 "[ . 1 . 2]" 1
45 1 6 PRO HG2 1 9 TRP HD1 2.700 . 3.600 3.152 2.874 3.689 0.089 1 0 "[ . 1 . 2]" 1
46 1 6 PRO HG2 1 9 TRP HE1 3.300 . 4.700 2.856 2.364 3.083 . 0 0 "[ . 1 . 2]" 1
47 1 6 PRO HG3 1 9 TRP HD1 3.100 . 4.300 4.255 4.024 4.604 0.304 1 0 "[ . 1 . 2]" 1
48 1 6 PRO HG3 1 9 TRP HE1 3.400 . 4.900 4.521 4.079 4.732 . 0 0 "[ . 1 . 2]" 1
49 1 7 PRO HA 1 8 GLY H 2.400 . 3.100 2.277 2.120 3.429 0.329 19 0 "[ . 1 . 2]" 1
50 1 7 PRO HA 1 9 TRP H 2.900 . 4.000 3.496 3.213 3.817 . 0 0 "[ . 1 . 2]" 1
51 1 7 PRO HA 1 9 TRP HD1 3.400 . 4.800 4.865 4.492 5.124 0.324 6 0 "[ . 1 . 2]" 1
52 1 7 PRO HD3 1 9 TRP HD1 3.500 . 5.000 5.145 4.909 5.238 0.238 8 0 "[ . 1 . 2]" 1
53 1 8 GLY H 1 8 GLY HA2 2.500 . 3.300 2.504 2.359 2.926 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLY H 1 8 GLY HA3 2.900 . 3.900 2.893 2.362 2.961 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLY H 1 9 TRP H 3.000 . 4.100 2.377 1.958 2.973 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLY HA2 1 9 TRP H 3.100 . 4.300 3.348 2.913 3.466 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLY HA2 1 24 HIS HD2 3.600 . 5.200 5.470 5.413 5.514 0.314 13 0 "[ . 1 . 2]" 1
58 1 8 GLY HA2 1 25 ASN QD 3.300 . 4.700 4.566 3.887 4.878 0.178 1 0 "[ . 1 . 2]" 1
59 1 8 GLY HA3 1 9 TRP H 2.900 . 4.000 3.158 3.001 3.529 . 0 0 "[ . 1 . 2]" 1
60 1 8 GLY HA3 1 9 TRP HD1 3.600 . 5.200 4.435 4.083 4.867 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLY HA3 1 25 ASN QD 3.300 . 4.300 3.329 2.918 3.675 . 0 0 "[ . 1 . 2]" 1
62 1 9 TRP H 1 9 TRP HA 2.800 . 3.800 2.910 2.847 2.948 . 0 0 "[ . 1 . 2]" 1
63 1 9 TRP H 1 9 TRP HB2 2.400 . 3.100 2.370 2.281 2.551 . 0 0 "[ . 1 . 2]" 1
64 1 9 TRP H 1 9 TRP HB3 2.700 . 3.600 3.606 3.548 3.720 0.120 19 0 "[ . 1 . 2]" 1
65 1 9 TRP H 1 9 TRP HD1 2.700 . 3.600 2.925 2.560 3.309 . 0 0 "[ . 1 . 2]" 1
66 1 9 TRP HA 1 9 TRP HD1 3.300 . 4.600 4.089 3.881 4.232 . 0 0 "[ . 1 . 2]" 1
67 1 9 TRP HA 1 9 TRP HE3 2.900 . 4.000 3.112 2.873 3.394 . 0 0 "[ . 1 . 2]" 1
68 1 9 TRP HA 1 10 GLU H 2.400 . 3.100 2.187 2.115 2.275 . 0 0 "[ . 1 . 2]" 1
69 1 9 TRP HA 1 10 GLU QB 4.000 . 6.000 3.963 3.856 4.079 . 0 0 "[ . 1 . 2]" 1
70 1 9 TRP HA 1 23 ASN HA 2.600 . 3.500 2.124 1.907 2.308 . 0 0 "[ . 1 . 2]" 1
71 1 9 TRP HA 1 23 ASN HB2 4.200 . 6.000 4.073 3.802 4.345 . 0 0 "[ . 1 . 2]" 1
72 1 9 TRP HA 1 23 ASN HB3 3.900 . 5.800 5.033 4.813 5.251 . 0 0 "[ . 1 . 2]" 1
73 1 9 TRP HA 1 24 HIS H 3.200 . 4.400 3.431 3.119 3.789 . 0 0 "[ . 1 . 2]" 1
74 1 9 TRP HA 1 24 HIS HD2 3.500 . 5.000 4.476 3.978 4.825 . 0 0 "[ . 1 . 2]" 1
75 1 9 TRP HB2 1 9 TRP HD1 2.600 . 3.400 2.647 2.605 2.698 . 0 0 "[ . 1 . 2]" 1
76 1 9 TRP HB2 1 9 TRP HE3 2.900 . 4.000 4.110 4.066 4.144 0.144 7 0 "[ . 1 . 2]" 1
77 1 9 TRP HB2 1 10 GLU H 3.400 . 4.900 4.216 3.982 4.415 . 0 0 "[ . 1 . 2]" 1
78 1 9 TRP HB3 1 9 TRP HD1 2.800 . 3.800 3.799 3.757 3.838 0.038 8 0 "[ . 1 . 2]" 1
79 1 9 TRP HB3 1 9 TRP HE3 2.200 . 2.800 2.584 2.512 2.655 . 0 0 "[ . 1 . 2]" 1
80 1 9 TRP HB3 1 10 GLU H 3.000 . 4.100 3.171 2.756 3.558 . 0 0 "[ . 1 . 2]" 1
81 1 9 TRP HD1 1 34 PRO HG2 3.900 . 5.800 4.794 3.988 5.977 0.177 18 0 "[ . 1 . 2]" 1
82 1 9 TRP HD1 1 34 PRO HG3 3.900 . 5.800 4.703 4.226 5.540 . 0 0 "[ . 1 . 2]" 1
83 1 9 TRP HE1 1 23 ASN HD21 3.200 . 4.500 3.089 2.277 4.287 . 0 0 "[ . 1 . 2]" 1
84 1 9 TRP HE1 1 23 ASN HD22 3.000 . 4.100 3.406 3.077 4.074 . 0 0 "[ . 1 . 2]" 1
85 1 9 TRP HE1 1 34 PRO QB 3.300 . 4.600 3.769 3.194 4.208 . 0 0 "[ . 1 . 2]" 1
86 1 9 TRP HE3 1 9 TRP HZ3 2.200 . 2.800 2.430 2.395 2.450 . 0 0 "[ . 1 . 2]" 1
87 1 9 TRP HE3 1 10 GLU H 3.300 . 4.700 3.452 2.953 3.871 . 0 0 "[ . 1 . 2]" 1
88 1 9 TRP HE3 1 21 TYR HA 3.300 . 4.700 3.837 3.594 4.020 . 0 0 "[ . 1 . 2]" 1
89 1 9 TRP HE3 1 21 TYR HB2 2.700 . 3.600 3.007 2.544 3.643 0.043 5 0 "[ . 1 . 2]" 1
90 1 9 TRP HE3 1 21 TYR HB3 2.200 . 2.800 2.172 1.768 2.552 . 0 0 "[ . 1 . 2]" 1
91 1 9 TRP HE3 1 22 VAL H 3.000 . 4.200 3.688 3.244 4.065 . 0 0 "[ . 1 . 2]" 1
92 1 9 TRP HE3 1 22 VAL HA 3.800 . 5.600 3.922 3.610 4.282 . 0 0 "[ . 1 . 2]" 1
93 1 9 TRP HE3 1 23 ASN HA 3.400 . 4.800 3.668 3.559 3.835 . 0 0 "[ . 1 . 2]" 1
94 1 9 TRP HE3 1 23 ASN HB3 3.600 . 5.200 5.173 4.831 5.528 0.328 5 0 "[ . 1 . 2]" 1
95 1 9 TRP HE3 1 33 ARG HA 2.800 . 3.800 5.514 4.595 5.978 2.178 13 20 [************+***-***] 1
96 1 9 TRP HE3 1 34 PRO HD2 3.600 . 5.300 4.884 4.358 5.460 0.160 6 0 "[ . 1 . 2]" 1
97 1 9 TRP HE3 1 34 PRO HD3 3.400 . 4.800 3.872 3.160 4.511 . 0 0 "[ . 1 . 2]" 1
98 1 9 TRP HE3 1 34 PRO HG2 3.700 . 5.500 4.689 3.750 5.095 . 0 0 "[ . 1 . 2]" 1
99 1 9 TRP HE3 1 34 PRO HG3 3.400 . 4.900 3.492 2.942 4.664 . 0 0 "[ . 1 . 2]" 1
100 1 9 TRP HH2 1 23 ASN HB3 3.600 . 5.200 4.622 4.098 5.227 0.027 5 0 "[ . 1 . 2]" 1
101 1 9 TRP HH2 1 30 GLN QE 3.100 . 4.300 3.462 2.734 4.004 . 0 0 "[ . 1 . 2]" 1
102 1 9 TRP HH2 1 30 GLN QG 3.200 . 4.300 2.728 2.223 3.011 . 0 0 "[ . 1 . 2]" 1
103 1 9 TRP HH2 1 34 PRO QB 3.700 . 5.400 3.588 2.800 5.022 . 0 0 "[ . 1 . 2]" 1
104 1 9 TRP HZ2 1 23 ASN HB3 3.600 . 5.200 4.916 4.276 5.490 0.290 5 0 "[ . 1 . 2]" 1
105 1 9 TRP HZ2 1 23 ASN HD21 3.100 . 4.300 3.096 2.383 3.533 . 0 0 "[ . 1 . 2]" 1
106 1 9 TRP HZ2 1 23 ASN HD22 3.000 . 4.100 4.193 3.716 4.518 0.418 5 0 "[ . 1 . 2]" 1
107 1 9 TRP HZ2 1 30 GLN QG 3.700 . 5.400 4.833 4.305 5.093 . 0 0 "[ . 1 . 2]" 1
108 1 9 TRP HZ2 1 34 PRO QB 3.500 . 5.000 3.048 2.519 4.142 . 0 0 "[ . 1 . 2]" 1
109 1 9 TRP HZ2 1 34 PRO HG3 4.100 . 6.000 3.777 2.876 4.737 . 0 0 "[ . 1 . 2]" 1
110 1 9 TRP HZ3 1 23 ASN H 3.500 . 5.000 3.217 2.958 3.570 . 0 0 "[ . 1 . 2]" 1
111 1 9 TRP HZ3 1 23 ASN HA 3.300 . 4.600 4.780 4.626 4.857 0.257 11 0 "[ . 1 . 2]" 1
112 1 9 TRP HZ3 1 23 ASN HB3 3.600 . 5.200 4.750 4.259 5.232 0.032 5 0 "[ . 1 . 2]" 1
113 1 9 TRP HZ3 1 29 THR HA 3.200 . 4.500 4.189 3.356 4.576 0.076 9 0 "[ . 1 . 2]" 1
114 1 9 TRP HZ3 1 30 GLN H 3.000 . 4.100 3.054 2.463 3.385 . 0 0 "[ . 1 . 2]" 1
115 1 9 TRP HZ3 1 30 GLN QG 2.800 . 3.700 2.443 2.140 2.770 . 0 0 "[ . 1 . 2]" 1
116 1 9 TRP HZ3 1 34 PRO HG2 3.700 . 5.400 5.362 4.704 5.538 0.138 17 0 "[ . 1 . 2]" 1
117 1 9 TRP HZ3 1 34 PRO HG3 3.500 . 5.000 3.849 3.554 4.112 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLU H 1 10 GLU HA 2.800 . 3.800 2.945 2.932 2.952 . 0 0 "[ . 1 . 2]" 1
119 1 10 GLU H 1 10 GLU QB 2.500 . 3.300 2.472 2.267 2.594 . 0 0 "[ . 1 . 2]" 1
120 1 10 GLU H 1 22 VAL H 2.800 . 3.800 2.828 2.615 3.011 . 0 0 "[ . 1 . 2]" 1
121 1 10 GLU H 1 22 VAL HB 3.300 . 4.700 5.077 5.021 5.149 0.449 9 0 "[ . 1 . 2]" 1
122 1 10 GLU H 1 22 VAL QG 3.400 . 4.500 2.739 2.502 2.977 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLU H 1 23 ASN HA 3.300 . 4.600 3.500 3.222 3.788 . 0 0 "[ . 1 . 2]" 1
124 1 10 GLU HA 1 11 GLU H 2.300 . 2.900 2.193 2.134 2.337 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLU QB 1 22 VAL H 3.300 . 4.600 3.385 3.082 3.717 . 0 0 "[ . 1 . 2]" 1
126 1 10 GLU QB 1 22 VAL QG 2.900 . 4.000 1.894 1.745 2.216 0.055 9 0 "[ . 1 . 2]" 1
127 1 10 GLU QB 1 24 HIS HD2 2.500 . 3.300 3.032 2.891 3.236 . 0 0 "[ . 1 . 2]" 1
128 1 10 GLU QB 1 24 HIS HE1 3.400 . 4.900 4.175 3.167 4.932 0.032 14 0 "[ . 1 . 2]" 1
129 1 10 GLU HG2 1 11 GLU H 3.000 . 4.100 3.138 2.120 4.102 0.002 15 0 "[ . 1 . 2]" 1
130 1 10 GLU HG2 1 24 HIS HD2 3.700 . 5.400 5.651 4.888 5.898 0.498 19 0 "[ . 1 . 2]" 1
131 1 10 GLU HG3 1 11 GLU H 3.000 . 4.100 3.562 2.573 4.364 0.264 13 0 "[ . 1 . 2]" 1
132 1 10 GLU HG3 1 24 HIS HD2 3.800 . 5.600 5.364 4.742 5.863 0.263 12 0 "[ . 1 . 2]" 1
133 1 11 GLU H 1 11 GLU HA 2.700 . 3.600 2.895 2.871 2.918 . 0 0 "[ . 1 . 2]" 1
134 1 11 GLU H 1 11 GLU QB 2.100 . 2.700 2.248 2.085 2.329 . 0 0 "[ . 1 . 2]" 1
135 1 11 GLU H 1 11 GLU QG 3.200 . 4.500 3.942 3.678 4.017 . 0 0 "[ . 1 . 2]" 1
136 1 11 GLU HA 1 12 LYS H 2.300 . 3.000 2.141 2.121 2.172 . 0 0 "[ . 1 . 2]" 1
137 1 11 GLU HA 1 21 TYR HA 2.700 . 3.600 2.606 2.112 2.966 . 0 0 "[ . 1 . 2]" 1
138 1 11 GLU HA 1 21 TYR QD 2.500 . 3.300 2.836 2.096 3.436 0.136 9 0 "[ . 1 . 2]" 1
139 1 11 GLU HA 1 22 VAL H 3.400 . 4.900 3.776 3.383 4.160 . 0 0 "[ . 1 . 2]" 1
140 1 11 GLU QB 1 12 LYS H 2.700 . 3.600 3.805 3.593 3.880 0.280 19 0 "[ . 1 . 2]" 1
141 1 11 GLU QB 1 21 TYR HA 3.500 . 5.100 4.550 3.715 4.947 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLU QB 1 21 TYR QD 2.300 . 3.000 3.445 1.671 4.632 1.632 17 8 "[* *- *1* *.*+ 2]" 1
143 1 11 GLU QG 1 12 LYS H 2.900 . 3.900 3.129 2.711 3.443 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLU QG 1 21 TYR QD 2.800 . 3.500 3.172 1.945 3.556 0.056 6 0 "[ . 1 . 2]" 1
145 1 12 LYS H 1 12 LYS HA 2.600 . 3.400 2.944 2.937 2.951 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS H 1 12 LYS HB2 2.600 . 3.400 2.595 2.497 2.726 . 0 0 "[ . 1 . 2]" 1
147 1 12 LYS H 1 12 LYS HB3 2.900 . 3.900 3.549 3.326 3.818 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS H 1 12 LYS QG 3.100 . 4.300 3.674 2.973 4.188 . 0 0 "[ . 1 . 2]" 1
149 1 12 LYS H 1 19 THR MG 2.700 . 3.600 3.687 3.238 3.850 0.250 12 0 "[ . 1 . 2]" 1
150 1 12 LYS H 1 20 TYR H 2.700 . 3.600 3.491 3.335 3.758 0.158 5 0 "[ . 1 . 2]" 1
151 1 12 LYS H 1 20 TYR QD 3.000 . 4.100 4.271 4.031 4.347 0.247 11 0 "[ . 1 . 2]" 1
152 1 12 LYS H 1 21 TYR HA 3.500 . 5.000 3.094 2.767 3.369 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS HA 1 13 VAL H 2.100 . 2.700 2.275 2.162 2.653 . 0 0 "[ . 1 . 2]" 1
154 1 12 LYS HA 1 13 VAL QG 3.200 . 4.500 4.187 3.498 4.433 . 0 0 "[ . 1 . 2]" 1
155 1 12 LYS HB2 1 13 VAL H 2.900 . 4.000 4.198 3.574 4.557 0.557 1 1 "[+ . 1 . 2]" 1
156 1 12 LYS HB2 1 20 TYR H 3.400 . 4.800 4.592 4.104 4.928 0.128 1 0 "[ . 1 . 2]" 1
157 1 12 LYS HB2 1 20 TYR QD 3.400 . 4.900 4.017 3.723 4.412 . 0 0 "[ . 1 . 2]" 1
158 1 12 LYS HB2 1 20 TYR QE 2.900 . 4.000 3.327 2.975 3.800 . 0 0 "[ . 1 . 2]" 1
159 1 12 LYS HB2 1 22 VAL QG 3.000 . 4.100 2.386 1.887 2.977 0.013 10 0 "[ . 1 . 2]" 1
160 1 12 LYS HB3 1 13 VAL H 2.300 . 3.000 3.094 2.071 3.762 0.762 1 3 "[+ . 1 . * -]" 1
161 1 12 LYS HB3 1 20 TYR QD 3.400 . 4.900 4.143 3.481 4.943 0.043 8 0 "[ . 1 . 2]" 1
162 1 12 LYS HB3 1 20 TYR QE 2.900 . 3.900 3.035 2.299 3.811 . 0 0 "[ . 1 . 2]" 1
163 1 12 LYS HB3 1 22 VAL QG 3.000 . 4.100 3.610 3.149 4.191 0.091 16 0 "[ . 1 . 2]" 1
164 1 12 LYS QD 1 20 TYR QE 3.000 . 4.100 3.601 2.721 4.428 0.328 8 0 "[ . 1 . 2]" 1
165 1 12 LYS QD 1 22 VAL QG 2.900 . 3.900 2.381 1.642 3.273 0.258 1 0 "[ . 1 . 2]" 1
166 1 12 LYS HE2 1 22 VAL QG 3.200 . 4.500 2.837 1.672 3.803 0.228 20 0 "[ . 1 . 2]" 1
167 1 12 LYS HE3 1 22 VAL QG 3.500 . 5.000 3.403 1.928 4.062 0.072 6 0 "[ . 1 . 2]" 1
168 1 12 LYS QG 1 20 TYR QD 3.700 . 5.400 5.286 4.557 5.525 0.125 14 0 "[ . 1 . 2]" 1
169 1 12 LYS QG 1 20 TYR QE 3.500 . 5.000 4.263 3.700 4.790 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL H 1 13 VAL HB 2.700 . 3.600 2.465 2.257 3.574 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL H 1 13 VAL QG 2.900 . 4.000 2.858 1.862 3.094 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL H 1 19 THR MG 3.100 . 4.300 4.009 3.089 4.565 0.265 7 0 "[ . 1 . 2]" 1
173 1 13 VAL H 1 20 TYR QD 3.000 . 4.100 5.124 4.389 5.646 1.546 1 17 "[+** ****-1* ********]" 1
174 1 13 VAL H 1 20 TYR QE 3.600 . 5.200 4.528 3.543 5.323 0.123 1 0 "[ . 1 . 2]" 1
175 1 13 VAL HA 1 14 ASP H 2.300 . 2.900 2.185 2.130 2.291 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL HA 1 19 THR HA 2.300 . 2.900 2.123 1.588 2.414 0.112 1 0 "[ . 1 . 2]" 1
177 1 13 VAL HA 1 19 THR MG 3.300 . 4.700 3.245 2.688 3.594 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL HA 1 20 TYR QD 3.000 . 4.100 3.282 2.633 3.941 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL HA 1 20 TYR QE 3.400 . 4.800 3.882 3.273 4.394 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL HB 1 14 ASP H 3.300 . 4.600 4.274 3.015 4.484 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL HB 1 18 ARG H 3.000 . 4.100 5.856 2.893 6.074 1.974 15 19 "[**************+* **-]" 1
182 1 13 VAL HB 1 19 THR HA 3.400 . 4.800 4.203 3.256 4.874 0.074 6 0 "[ . 1 . 2]" 1
183 1 13 VAL QG 1 14 ASP H 2.800 . 3.700 2.573 2.135 3.280 . 0 0 "[ . 1 . 2]" 1
184 1 13 VAL QG 1 17 GLY H 2.700 . 3.600 2.943 1.729 3.669 0.071 11 0 "[ . 1 . 2]" 1
185 1 13 VAL QG 1 17 GLY HA2 2.500 . 3.300 2.387 1.732 3.233 0.268 14 0 "[ . 1 . 2]" 1
186 1 13 VAL QG 1 17 GLY HA3 2.800 . 3.800 3.604 3.135 4.167 0.367 20 0 "[ . 1 . 2]" 1
187 1 13 VAL QG 1 18 ARG H 3.000 . 4.100 3.060 2.816 3.226 . 0 0 "[ . 1 . 2]" 1
188 1 13 VAL QG 1 19 THR H 3.300 . 4.700 3.121 2.560 3.585 . 0 0 "[ . 1 . 2]" 1
189 1 13 VAL QG 1 19 THR HA 3.000 . 3.900 2.112 1.783 2.734 0.117 3 0 "[ . 1 . 2]" 1
190 1 14 ASP H 1 14 ASP HA 2.700 . 3.600 2.772 2.672 2.845 . 0 0 "[ . 1 . 2]" 1
191 1 14 ASP H 1 14 ASP HB2 2.900 . 3.900 3.157 2.270 3.645 . 0 0 "[ . 1 . 2]" 1
192 1 14 ASP H 1 14 ASP HB3 2.900 . 4.000 2.469 2.199 2.898 . 0 0 "[ . 1 . 2]" 1
193 1 14 ASP H 1 17 GLY H 3.300 . 4.600 3.895 3.396 4.661 0.061 16 0 "[ . 1 . 2]" 1
194 1 14 ASP H 1 18 ARG H 3.000 . 4.100 3.041 2.363 4.134 0.034 9 0 "[ . 1 . 2]" 1
195 1 14 ASP H 1 20 TYR QD 2.700 . 3.600 2.781 2.434 3.340 . 0 0 "[ . 1 . 2]" 1
196 1 14 ASP H 1 20 TYR QE 3.100 . 4.300 3.165 2.625 3.630 . 0 0 "[ . 1 . 2]" 1
197 1 14 ASP HA 1 20 TYR QD 3.000 . 4.100 4.028 3.163 4.271 0.171 16 0 "[ . 1 . 2]" 1
198 1 14 ASP HA 1 20 TYR QE 2.700 . 3.600 2.438 1.757 3.150 0.043 8 0 "[ . 1 . 2]" 1
199 1 14 ASP HB2 1 20 TYR QD 3.200 . 4.500 3.459 2.326 4.521 0.021 10 0 "[ . 1 . 2]" 1
200 1 14 ASP HB2 1 20 TYR QE 2.800 . 3.800 2.904 2.006 3.888 0.088 10 0 "[ . 1 . 2]" 1
201 1 14 ASP HB3 1 20 TYR QD 2.800 . 3.800 3.065 2.302 4.181 0.381 17 0 "[ . 1 . 2]" 1
202 1 14 ASP HB3 1 20 TYR QE 2.600 . 3.400 3.251 2.199 3.981 0.581 19 3 "[ . 1 * . - +2]" 1
203 1 15 ASN HB2 1 15 ASN HD21 3.000 . 4.100 2.968 2.122 3.557 . 0 0 "[ . 1 . 2]" 1
204 1 15 ASN HB2 1 15 ASN HD22 3.100 . 4.300 3.817 3.435 4.093 . 0 0 "[ . 1 . 2]" 1
205 1 15 ASN HB2 1 16 LEU H 3.400 . 4.800 4.125 2.451 4.640 . 0 0 "[ . 1 . 2]" 1
206 1 15 ASN HB3 1 15 ASN HD21 3.400 . 4.800 2.649 2.151 3.521 . 0 0 "[ . 1 . 2]" 1
207 1 15 ASN HB3 1 16 LEU H 3.500 . 5.000 3.686 2.627 4.352 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN HD21 1 16 LEU QD 3.200 . 4.500 3.514 2.374 4.460 . 0 0 "[ . 1 . 2]" 1
209 1 15 ASN HD22 1 16 LEU QD 3.400 . 4.800 3.333 2.125 4.980 0.180 18 0 "[ . 1 . 2]" 1
210 1 16 LEU H 1 16 LEU HB2 2.700 . 3.600 2.677 2.096 3.680 0.080 20 0 "[ . 1 . 2]" 1
211 1 16 LEU H 1 16 LEU HB3 3.100 . 4.300 3.413 2.245 4.199 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU H 1 16 LEU QD 3.100 . 4.300 3.235 2.212 4.138 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU H 1 16 LEU HG 3.100 . 4.300 3.577 2.317 4.651 0.351 4 0 "[ . 1 . 2]" 1
214 1 16 LEU H 1 17 GLY H 2.300 . 2.900 2.498 2.107 3.129 0.229 9 0 "[ . 1 . 2]" 1
215 1 16 LEU H 1 18 ARG H 3.000 . 4.100 3.754 3.245 4.405 0.305 16 0 "[ . 1 . 2]" 1
216 1 16 LEU HA 1 17 GLY H 2.800 . 3.800 3.299 2.464 3.579 . 0 0 "[ . 1 . 2]" 1
217 1 16 LEU HB2 1 17 GLY H 2.900 . 4.000 3.613 2.391 4.653 0.653 11 1 "[ . 1+ . 2]" 1
218 1 17 GLY H 1 17 GLY HA2 2.200 . 2.800 2.521 2.299 2.939 0.139 12 0 "[ . 1 . 2]" 1
219 1 17 GLY H 1 17 GLY HA3 2.500 . 3.300 2.903 2.579 2.965 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLY H 1 18 ARG H 2.400 . 3.100 2.079 1.717 2.592 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLY HA2 1 18 ARG H 2.900 . 4.000 3.080 2.739 3.572 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLY HA3 1 18 ARG H 3.200 . 4.400 3.394 2.746 3.555 . 0 0 "[ . 1 . 2]" 1
223 1 18 ARG H 1 18 ARG HA 2.900 . 4.000 2.930 2.886 2.950 . 0 0 "[ . 1 . 2]" 1
224 1 18 ARG H 1 18 ARG QB 2.800 . 3.100 2.911 2.560 3.215 0.115 20 0 "[ . 1 . 2]" 1
225 1 18 ARG H 1 18 ARG HD2 3.300 . 4.600 4.169 2.309 4.770 0.170 17 0 "[ . 1 . 2]" 1
226 1 18 ARG H 1 18 ARG HD3 3.400 . 4.800 4.431 2.884 4.935 0.135 15 0 "[ . 1 . 2]" 1
227 1 18 ARG H 1 18 ARG QG 2.600 . 3.400 2.106 1.764 3.422 0.036 12 0 "[ . 1 . 2]" 1
228 1 18 ARG HA 1 19 THR H 2.200 . 2.800 2.160 2.113 2.217 . 0 0 "[ . 1 . 2]" 1
229 1 18 ARG QB 1 18 ARG HE 3.100 . 4.100 3.251 2.404 3.841 . 0 0 "[ . 1 . 2]" 1
230 1 18 ARG QB 1 19 THR H 2.700 . 3.600 3.539 3.124 3.745 0.145 18 0 "[ . 1 . 2]" 1
231 1 18 ARG QB 1 31 TRP HD1 4.000 . 5.800 5.395 5.094 5.487 . 0 0 "[ . 1 . 2]" 1
232 1 18 ARG QB 1 31 TRP HE3 3.600 . 5.200 2.083 1.891 2.386 0.109 4 0 "[ . 1 . 2]" 1
233 1 18 ARG QB 1 31 TRP HH2 3.500 . 5.000 4.418 4.003 4.775 . 0 0 "[ . 1 . 2]" 1
234 1 18 ARG QB 1 31 TRP HZ3 2.800 . 3.800 2.784 2.263 3.315 . 0 0 "[ . 1 . 2]" 1
235 1 18 ARG HD2 1 31 TRP HZ3 3.700 . 5.400 3.946 2.737 5.495 0.095 14 0 "[ . 1 . 2]" 1
236 1 18 ARG HD3 1 31 TRP HH2 3.700 . 5.400 4.537 3.129 6.286 0.886 20 1 "[ . 1 . +]" 1
237 1 18 ARG HD3 1 31 TRP HZ3 3.600 . 5.200 4.150 1.953 5.540 0.340 20 0 "[ . 1 . 2]" 1
238 1 18 ARG HE 1 18 ARG QG 2.800 . 3.800 2.487 2.066 3.321 . 0 0 "[ . 1 . 2]" 1
239 1 18 ARG QG 1 19 THR H 3.100 . 4.300 4.600 4.180 4.710 0.410 5 0 "[ . 1 . 2]" 1
240 1 18 ARG QG 1 31 TRP HE3 3.800 . 5.600 3.964 3.477 4.352 . 0 0 "[ . 1 . 2]" 1
241 1 18 ARG QG 1 31 TRP HH2 3.400 . 4.900 4.560 3.885 5.026 0.126 1 0 "[ . 1 . 2]" 1
242 1 18 ARG QG 1 31 TRP HZ3 2.900 . 4.000 3.503 2.794 4.027 0.027 4 0 "[ . 1 . 2]" 1
243 1 19 THR H 1 19 THR HA 2.600 . 3.400 2.838 2.800 2.881 . 0 0 "[ . 1 . 2]" 1
244 1 19 THR H 1 19 THR HB 2.300 . 3.000 3.042 2.924 3.191 0.191 6 0 "[ . 1 . 2]" 1
245 1 19 THR H 1 19 THR MG 2.700 . 3.600 3.568 3.407 3.693 0.093 20 0 "[ . 1 . 2]" 1
246 1 19 THR HA 1 20 TYR H 2.000 . 2.500 2.179 2.138 2.240 . 0 0 "[ . 1 . 2]" 1
247 1 19 THR HB 1 20 TYR H 3.400 . 4.800 4.103 3.917 4.225 . 0 0 "[ . 1 . 2]" 1
248 1 19 THR MG 1 20 TYR H 2.500 . 3.300 3.347 3.049 3.539 0.239 6 0 "[ . 1 . 2]" 1
249 1 19 THR MG 1 20 TYR HA 3.400 . 4.900 4.649 4.404 4.997 0.097 14 0 "[ . 1 . 2]" 1
250 1 19 THR MG 1 21 TYR HA 3.800 . 5.600 5.469 5.230 5.701 0.101 6 0 "[ . 1 . 2]" 1
251 1 20 TYR H 1 20 TYR HA 2.800 . 3.800 2.928 2.907 2.940 . 0 0 "[ . 1 . 2]" 1
252 1 20 TYR H 1 20 TYR HB2 3.200 . 4.500 3.747 3.656 3.788 . 0 0 "[ . 1 . 2]" 1
253 1 20 TYR H 1 20 TYR HB3 3.100 . 4.300 2.940 2.812 3.094 . 0 0 "[ . 1 . 2]" 1
254 1 20 TYR H 1 20 TYR QD 2.400 . 3.100 2.316 1.886 2.784 . 0 0 "[ . 1 . 2]" 1
255 1 20 TYR H 1 20 TYR QE 3.500 . 5.000 4.062 3.863 4.250 . 0 0 "[ . 1 . 2]" 1
256 1 20 TYR HA 1 20 TYR QD 3.900 . 5.800 3.747 3.720 3.769 . 0 0 "[ . 1 . 2]" 1
257 1 20 TYR HA 1 21 TYR H 2.600 . 3.500 2.475 2.324 2.581 . 0 0 "[ . 1 . 2]" 1
258 1 20 TYR HA 1 31 TRP HA 4.000 . 6.000 1.945 1.822 2.138 0.178 17 0 "[ . 1 . 2]" 1
259 1 20 TYR HB2 1 20 TYR QD 2.400 . 3.100 2.346 2.263 2.450 . 0 0 "[ . 1 . 2]" 1
260 1 20 TYR HB2 1 20 TYR QE 3.500 . 5.000 4.391 4.364 4.429 . 0 0 "[ . 1 . 2]" 1
261 1 20 TYR HB2 1 21 TYR H 2.400 . 3.100 2.213 2.023 2.591 . 0 0 "[ . 1 . 2]" 1
262 1 20 TYR HB2 1 31 TRP HA 3.400 . 4.900 2.517 1.975 3.219 . 0 0 "[ . 1 . 2]" 1
263 1 20 TYR HB2 1 31 TRP HD1 3.600 . 5.200 5.413 5.087 5.745 0.545 11 2 "[ . 1+- . 2]" 1
264 1 20 TYR HB2 1 31 TRP HE3 3.300 . 4.700 3.556 3.344 3.740 . 0 0 "[ . 1 . 2]" 1
265 1 20 TYR HB2 1 31 TRP HZ3 3.600 . 5.200 5.131 4.635 5.367 0.167 1 0 "[ . 1 . 2]" 1
266 1 20 TYR HB3 1 20 TYR QD 2.500 . 3.300 2.469 2.350 2.609 . 0 0 "[ . 1 . 2]" 1
267 1 20 TYR HB3 1 20 TYR QE 3.500 . 5.100 4.432 4.400 4.471 . 0 0 "[ . 1 . 2]" 1
268 1 20 TYR HB3 1 21 TYR H 2.800 . 3.800 3.655 3.519 3.933 0.133 9 0 "[ . 1 . 2]" 1
269 1 20 TYR HB3 1 31 TRP HA 3.500 . 5.100 2.819 2.307 3.510 . 0 0 "[ . 1 . 2]" 1
270 1 20 TYR HB3 1 31 TRP HD1 3.500 . 5.000 5.199 4.972 5.456 0.456 9 0 "[ . 1 . 2]" 1
271 1 20 TYR HB3 1 31 TRP HE3 3.100 . 4.300 1.922 1.801 1.997 0.099 12 0 "[ . 1 . 2]" 1
272 1 20 TYR HB3 1 31 TRP HZ3 3.100 . 4.300 3.767 2.987 4.129 . 0 0 "[ . 1 . 2]" 1
273 1 20 TYR QD 1 21 TYR H 2.300 . 3.000 2.611 2.449 2.747 . 0 0 "[ . 1 . 2]" 1
274 1 20 TYR QD 1 22 VAL HB 3.400 . 4.800 3.056 2.618 3.400 . 0 0 "[ . 1 . 2]" 1
275 1 20 TYR QD 1 22 VAL QG 2.700 . 3.600 3.596 3.260 3.883 0.283 4 0 "[ . 1 . 2]" 1
276 1 20 TYR QD 1 29 THR HB 2.800 . 3.800 3.582 3.069 3.898 0.098 19 0 "[ . 1 . 2]" 1
277 1 20 TYR QD 1 29 THR MG 2.500 . 3.300 2.907 2.225 3.324 0.024 5 0 "[ . 1 . 2]" 1
278 1 20 TYR QD 1 30 GLN H 2.800 . 3.800 3.792 3.470 3.979 0.179 8 0 "[ . 1 . 2]" 1
279 1 20 TYR QD 1 31 TRP HE3 3.200 . 4.500 2.638 2.016 3.572 . 0 0 "[ . 1 . 2]" 1
280 1 20 TYR QD 1 31 TRP HZ3 3.100 . 4.300 2.960 2.268 3.941 . 0 0 "[ . 1 . 2]" 1
281 1 20 TYR QE 1 21 TYR H 3.400 . 4.900 5.142 4.978 5.283 0.383 14 0 "[ . 1 . 2]" 1
282 1 20 TYR QE 1 22 VAL HB 2.800 . 3.800 1.903 1.809 2.363 . 0 0 "[ . 1 . 2]" 1
283 1 20 TYR QE 1 22 VAL QG 2.400 . 3.100 2.657 2.303 2.944 . 0 0 "[ . 1 . 2]" 1
284 1 20 TYR QE 1 29 THR HB 3.500 . 5.000 3.685 3.011 4.544 . 0 0 "[ . 1 . 2]" 1
285 1 20 TYR QE 1 29 THR MG 2.600 . 3.400 1.997 1.784 2.346 0.016 20 0 "[ . 1 . 2]" 1
286 1 21 TYR H 1 21 TYR HB2 2.700 . 3.600 2.621 2.497 2.810 . 0 0 "[ . 1 . 2]" 1
287 1 21 TYR H 1 21 TYR HB3 3.000 . 4.100 3.749 3.675 3.811 . 0 0 "[ . 1 . 2]" 1
288 1 21 TYR H 1 30 GLN H 2.800 . 3.800 3.703 3.387 4.044 0.244 10 0 "[ . 1 . 2]" 1
289 1 21 TYR HA 1 21 TYR QD 2.500 . 3.300 2.760 2.508 3.145 . 0 0 "[ . 1 . 2]" 1
290 1 21 TYR HA 1 22 VAL H 2.400 . 3.100 2.113 2.054 2.150 . 0 0 "[ . 1 . 2]" 1
291 1 21 TYR HA 1 22 VAL QG 3.800 . 5.600 3.523 3.322 3.698 . 0 0 "[ . 1 . 2]" 1
292 1 21 TYR HB2 1 21 TYR QD 2.100 . 2.700 2.454 2.304 2.777 0.077 4 0 "[ . 1 . 2]" 1
293 1 21 TYR HB2 1 22 VAL H 3.500 . 5.100 4.315 4.066 4.463 . 0 0 "[ . 1 . 2]" 1
294 1 21 TYR HB2 1 30 GLN H 3.200 . 4.500 4.368 4.095 4.717 0.217 7 0 "[ . 1 . 2]" 1
295 1 21 TYR HB2 1 34 PRO HD2 2.600 . 3.500 2.303 1.910 2.935 . 0 0 "[ . 1 . 2]" 1
296 1 21 TYR HB2 1 34 PRO HD3 2.500 . 3.300 2.022 1.775 2.402 . 0 0 "[ . 1 . 2]" 1
297 1 21 TYR HB3 1 21 TYR QD 2.200 . 2.800 2.443 2.320 2.619 . 0 0 "[ . 1 . 2]" 1
298 1 21 TYR HB3 1 22 VAL H 2.900 . 4.000 3.541 3.194 3.844 . 0 0 "[ . 1 . 2]" 1
299 1 21 TYR HB3 1 30 GLN H 3.600 . 5.200 5.496 5.090 6.039 0.839 12 4 "[ . * 1 + . * -]" 1
300 1 21 TYR HB3 1 34 PRO HD2 3.700 . 5.400 4.024 3.280 4.783 . 0 0 "[ . 1 . 2]" 1
301 1 21 TYR HB3 1 34 PRO HD3 3.200 . 4.400 3.345 2.616 4.804 0.404 8 0 "[ . 1 . 2]" 1
302 1 21 TYR QD 1 22 VAL H 3.300 . 4.700 4.286 3.836 4.680 . 0 0 "[ . 1 . 2]" 1
303 1 21 TYR QD 1 31 TRP HA 2.800 . 3.800 3.747 3.092 3.921 0.121 2 0 "[ . 1 . 2]" 1
304 1 21 TYR QD 1 33 ARG H 3.000 . 4.100 3.078 2.405 4.421 0.321 4 0 "[ . 1 . 2]" 1
305 1 21 TYR QD 1 33 ARG HA 2.200 . 2.800 2.288 1.677 3.112 0.312 9 0 "[ . 1 . 2]" 1
306 1 21 TYR QD 1 33 ARG QB 2.700 . 3.600 3.421 3.160 3.560 . 0 0 "[ . 1 . 2]" 1
307 1 21 TYR QD 1 33 ARG QD 3.200 . 4.500 4.353 3.572 4.802 0.302 19 0 "[ . 1 . 2]" 1
308 1 21 TYR QD 1 33 ARG HG2 3.200 . 4.500 4.170 3.194 4.577 0.077 12 0 "[ . 1 . 2]" 1
309 1 21 TYR QD 1 33 ARG HG3 3.000 . 4.100 3.101 1.979 4.440 0.340 13 0 "[ . 1 . 2]" 1
310 1 21 TYR QD 1 34 PRO HD2 2.900 . 4.000 3.308 2.401 4.158 0.158 7 0 "[ . 1 . 2]" 1
311 1 21 TYR QD 1 34 PRO HD3 2.600 . 3.400 3.116 2.518 3.666 0.266 19 0 "[ . 1 . 2]" 1
312 1 22 VAL H 1 22 VAL HB 2.900 . 3.900 3.041 2.744 3.172 . 0 0 "[ . 1 . 2]" 1
313 1 22 VAL H 1 22 VAL QG 3.000 . 4.000 1.944 1.842 2.105 0.058 1 0 "[ . 1 . 2]" 1
314 1 22 VAL HA 1 23 ASN H 2.600 . 3.400 2.115 2.082 2.167 . 0 0 "[ . 1 . 2]" 1
315 1 22 VAL HA 1 29 THR HA 2.600 . 3.500 2.439 2.221 2.622 . 0 0 "[ . 1 . 2]" 1
316 1 22 VAL HA 1 29 THR MG 2.700 . 3.600 2.711 2.363 3.098 . 0 0 "[ . 1 . 2]" 1
317 1 22 VAL HB 1 23 ASN H 3.100 . 4.300 4.251 4.169 4.318 0.018 10 0 "[ . 1 . 2]" 1
318 1 22 VAL HB 1 24 HIS HD2 3.600 . 5.300 5.044 4.579 5.430 0.130 15 0 "[ . 1 . 2]" 1
319 1 22 VAL HB 1 29 THR HA 3.600 . 5.200 3.441 2.726 3.920 . 0 0 "[ . 1 . 2]" 1
320 1 22 VAL QG 1 23 ASN H 2.600 . 3.500 2.861 2.595 3.070 . 0 0 "[ . 1 . 2]" 1
321 1 22 VAL QG 1 24 HIS HA 3.600 . 4.800 3.451 2.936 3.774 . 0 0 "[ . 1 . 2]" 1
322 1 22 VAL QG 1 24 HIS HD2 3.400 . 4.100 2.348 1.886 2.747 0.014 17 0 "[ . 1 . 2]" 1
323 1 22 VAL QG 1 24 HIS HE1 3.200 . 3.600 4.618 4.168 5.103 1.503 6 20 [*****+***-**********] 1
324 1 22 VAL QG 1 29 THR HA 3.200 . 4.500 3.425 3.093 3.802 . 0 0 "[ . 1 . 2]" 1
325 1 22 VAL QG 1 29 THR HB 3.500 . 5.000 4.439 3.820 4.740 . 0 0 "[ . 1 . 2]" 1
326 1 22 VAL QG 1 29 THR MG 2.500 . 3.300 2.102 1.789 2.462 0.111 19 0 "[ . 1 . 2]" 1
327 1 23 ASN H 1 23 ASN HA 2.900 . 3.900 2.847 2.829 2.899 . 0 0 "[ . 1 . 2]" 1
328 1 23 ASN H 1 23 ASN HB2 2.600 . 3.400 2.476 2.315 2.695 . 0 0 "[ . 1 . 2]" 1
329 1 23 ASN H 1 23 ASN HB3 2.800 . 3.800 2.620 2.406 2.806 . 0 0 "[ . 1 . 2]" 1
330 1 23 ASN H 1 28 SER H 3.400 . 4.800 3.260 2.380 3.861 . 0 0 "[ . 1 . 2]" 1
331 1 23 ASN H 1 29 THR HA 3.100 . 4.300 3.691 3.231 4.116 . 0 0 "[ . 1 . 2]" 1
332 1 23 ASN H 1 29 THR MG 3.300 . 4.600 4.002 3.461 4.534 . 0 0 "[ . 1 . 2]" 1
333 1 23 ASN HA 1 24 HIS H 2.400 . 3.100 2.244 2.156 2.338 . 0 0 "[ . 1 . 2]" 1
334 1 23 ASN HB2 1 23 ASN HD21 2.900 . 4.000 2.271 2.118 2.509 . 0 0 "[ . 1 . 2]" 1
335 1 23 ASN HB2 1 23 ASN HD22 3.500 . 5.000 3.498 3.442 3.588 . 0 0 "[ . 1 . 2]" 1
336 1 23 ASN HB2 1 28 SER H 2.700 . 3.600 3.137 2.561 3.820 0.220 1 0 "[ . 1 . 2]" 1
337 1 23 ASN HB3 1 23 ASN HD21 2.700 . 3.600 3.172 2.550 3.508 . 0 0 "[ . 1 . 2]" 1
338 1 23 ASN HB3 1 23 ASN HD22 3.500 . 5.100 3.908 3.621 4.072 . 0 0 "[ . 1 . 2]" 1
339 1 23 ASN HB3 1 28 SER H 3.100 . 4.300 1.901 1.755 2.232 0.145 5 0 "[ . 1 . 2]" 1
340 1 24 HIS H 1 24 HIS HA 3.000 . 4.100 2.915 2.839 2.944 . 0 0 "[ . 1 . 2]" 1
341 1 24 HIS H 1 24 HIS QB 2.500 . 3.300 2.262 2.128 2.341 . 0 0 "[ . 1 . 2]" 1
342 1 24 HIS H 1 24 HIS HD2 3.300 . 4.600 3.286 2.970 3.511 . 0 0 "[ . 1 . 2]" 1
343 1 24 HIS H 1 25 ASN H 2.900 . 4.000 2.292 2.054 2.825 . 0 0 "[ . 1 . 2]" 1
344 1 24 HIS HA 1 24 HIS HD2 3.500 . 5.000 2.671 2.327 3.063 . 0 0 "[ . 1 . 2]" 1
345 1 24 HIS HA 1 27 ARG H 3.100 . 4.300 3.819 3.429 4.379 0.079 2 0 "[ . 1 . 2]" 1
346 1 24 HIS HA 1 27 ARG HA 3.200 . 4.400 3.534 2.948 4.278 . 0 0 "[ . 1 . 2]" 1
347 1 24 HIS QB 1 24 HIS HD2 2.400 . 3.100 3.186 3.046 3.311 0.211 1 0 "[ . 1 . 2]" 1
348 1 24 HIS QB 1 25 ASN H 3.000 . 4.100 3.189 2.725 3.571 . 0 0 "[ . 1 . 2]" 1
349 1 24 HIS HD2 1 27 ARG QB 2.400 . 3.100 5.830 5.731 5.918 2.818 6 20 [*****+*-************] 1
350 1 24 HIS HD2 1 27 ARG QD 2.600 . 3.500 5.160 3.766 6.084 2.584 8 17 "[ ** .**+**********-*]" 1
351 1 25 ASN H 1 25 ASN HA 2.700 . 3.600 2.904 2.838 2.947 . 0 0 "[ . 1 . 2]" 1
352 1 25 ASN H 1 25 ASN HB2 2.500 . 3.300 2.703 2.043 3.566 0.266 6 0 "[ . 1 . 2]" 1
353 1 25 ASN H 1 25 ASN HB3 2.700 . 3.600 2.823 2.156 3.278 . 0 0 "[ . 1 . 2]" 1
354 1 25 ASN H 1 25 ASN QD 3.200 . 4.500 3.433 2.958 4.017 . 0 0 "[ . 1 . 2]" 1
355 1 25 ASN H 1 26 ASN H 2.600 . 3.500 2.508 2.168 3.013 . 0 0 "[ . 1 . 2]" 1
356 1 25 ASN H 1 27 ARG H 3.400 . 4.900 3.064 2.573 3.460 . 0 0 "[ . 1 . 2]" 1
357 1 25 ASN HA 1 26 ASN H 3.200 . 4.500 3.549 3.494 3.585 . 0 0 "[ . 1 . 2]" 1
358 1 25 ASN HB2 1 25 ASN QD 2.600 . 3.500 2.555 2.076 3.248 . 0 0 "[ . 1 . 2]" 1
359 1 25 ASN HB3 1 25 ASN QD 2.800 . 3.800 2.730 2.065 3.326 . 0 0 "[ . 1 . 2]" 1
360 1 25 ASN HB3 1 26 ASN H 3.100 . 4.300 2.711 1.890 3.460 0.010 10 0 "[ . 1 . 2]" 1
361 1 26 ASN H 1 26 ASN HB2 2.900 . 4.000 2.651 2.270 3.188 . 0 0 "[ . 1 . 2]" 1
362 1 26 ASN H 1 26 ASN HB3 3.200 . 4.500 2.776 2.108 3.425 . 0 0 "[ . 1 . 2]" 1
363 1 26 ASN H 1 27 ARG H 2.600 . 3.400 2.113 1.922 2.400 . 0 0 "[ . 1 . 2]" 1
364 1 26 ASN H 1 27 ARG HA 3.200 . 4.500 4.275 4.067 4.596 0.096 2 0 "[ . 1 . 2]" 1
365 1 27 ARG H 1 27 ARG HA 2.100 . 2.700 2.246 2.234 2.273 . 0 0 "[ . 1 . 2]" 1
366 1 27 ARG H 1 27 ARG QB 3.400 . 4.800 3.333 2.773 3.432 . 0 0 "[ . 1 . 2]" 1
367 1 27 ARG H 1 27 ARG QG 2.600 . 3.400 2.671 2.381 3.596 0.196 9 0 "[ . 1 . 2]" 1
368 1 27 ARG HA 1 28 SER H 2.300 . 3.000 2.756 2.333 3.010 0.010 13 0 "[ . 1 . 2]" 1
369 1 27 ARG QB 1 28 SER H 3.500 . 4.600 3.869 3.724 3.965 . 0 0 "[ . 1 . 2]" 1
370 1 28 SER HA 1 29 THR H 2.300 . 2.900 2.196 2.145 2.328 . 0 0 "[ . 1 . 2]" 1
371 1 28 SER QB 1 29 THR H 2.900 . 3.900 3.361 3.000 3.834 . 0 0 "[ . 1 . 2]" 1
372 1 29 THR H 1 29 THR HA 2.900 . 3.900 2.935 2.862 2.956 . 0 0 "[ . 1 . 2]" 1
373 1 29 THR H 1 29 THR HB 2.800 . 3.800 3.497 3.314 3.813 0.013 5 0 "[ . 1 . 2]" 1
374 1 29 THR H 1 29 THR MG 3.100 . 4.300 3.282 2.948 3.629 . 0 0 "[ . 1 . 2]" 1
375 1 29 THR HA 1 30 GLN H 2.300 . 2.900 2.385 2.261 2.479 . 0 0 "[ . 1 . 2]" 1
376 1 29 THR HB 1 30 GLN H 2.800 . 3.700 4.198 4.105 4.252 0.552 18 12 "[ * .*** ****-* + *]" 1
377 1 29 THR MG 1 30 GLN H 2.600 . 3.500 4.105 3.918 4.278 0.778 17 16 "[******* *** ***+* -]" 1
378 1 29 THR MG 1 30 GLN HA 3.600 . 5.200 5.392 5.191 5.608 0.408 5 0 "[ . 1 . 2]" 1
379 1 30 GLN H 1 30 GLN HB2 3.100 . 4.300 3.661 3.605 3.727 . 0 0 "[ . 1 . 2]" 1
380 1 30 GLN H 1 30 GLN HB3 3.300 . 4.600 3.141 2.996 3.277 . 0 0 "[ . 1 . 2]" 1
381 1 30 GLN H 1 30 GLN QG 3.000 . 3.500 1.872 1.644 2.091 0.256 9 0 "[ . 1 . 2]" 1
382 1 30 GLN HB2 1 30 GLN QE 2.800 . 3.800 3.261 2.850 3.529 . 0 0 "[ . 1 . 2]" 1
383 1 30 GLN HB2 1 31 TRP H 2.900 . 4.000 2.949 2.702 3.168 . 0 0 "[ . 1 . 2]" 1
384 1 30 GLN HB2 1 32 HIS H 3.000 . 4.100 2.410 2.085 2.710 . 0 0 "[ . 1 . 2]" 1
385 1 30 GLN HB2 1 32 HIS HE1 2.900 . 4.000 3.307 2.925 3.842 . 0 0 "[ . 1 . 2]" 1
386 1 30 GLN HB3 1 30 GLN QE 3.100 . 4.300 3.783 3.400 4.010 . 0 0 "[ . 1 . 2]" 1
387 1 30 GLN HB3 1 31 TRP H 2.600 . 3.500 3.897 3.640 4.089 0.589 3 4 "[ *+ . 1 . -* 2]" 1
388 1 30 GLN HB3 1 32 HIS H 3.100 . 4.300 4.111 3.807 4.354 0.054 17 0 "[ . 1 . 2]" 1
389 1 30 GLN HB3 1 32 HIS HE1 2.700 . 3.600 3.558 2.882 3.921 0.321 16 0 "[ . 1 . 2]" 1
390 1 30 GLN QE 1 30 GLN QG 2.300 . 3.000 2.056 1.999 2.150 . 0 0 "[ . 1 . 2]" 1
391 1 30 GLN QE 1 32 HIS H 3.100 . 4.300 3.905 3.467 4.198 . 0 0 "[ . 1 . 2]" 1
392 1 30 GLN QE 1 32 HIS QB 3.400 . 4.900 4.517 4.070 4.813 . 0 0 "[ . 1 . 2]" 1
393 1 30 GLN QE 1 32 HIS HE1 3.000 . 4.100 3.049 2.187 3.656 . 0 0 "[ . 1 . 2]" 1
394 1 30 GLN QE 1 33 ARG HA 3.100 . 4.300 3.261 2.974 3.801 . 0 0 "[ . 1 . 2]" 1
395 1 30 GLN QE 1 34 PRO HA 2.800 . 3.500 2.182 1.775 3.053 0.025 11 0 "[ . 1 . 2]" 1
396 1 30 GLN QE 1 34 PRO QB 3.100 . 4.300 3.104 2.230 3.655 . 0 0 "[ . 1 . 2]" 1
397 1 30 GLN QG 1 31 TRP H 3.200 . 4.500 4.264 3.980 4.519 0.019 5 0 "[ . 1 . 2]" 1
398 1 30 GLN QG 1 32 HIS H 2.800 . 3.800 3.546 2.705 4.109 0.309 2 0 "[ . 1 . 2]" 1
399 1 30 GLN QG 1 32 HIS HE1 3.300 . 4.700 3.948 3.091 4.359 . 0 0 "[ . 1 . 2]" 1
400 1 31 TRP H 1 31 TRP HA 2.900 . 4.000 2.921 2.879 2.941 . 0 0 "[ . 1 . 2]" 1
401 1 31 TRP H 1 31 TRP HB2 2.600 . 3.400 3.252 2.839 3.345 . 0 0 "[ . 1 . 2]" 1
402 1 31 TRP H 1 31 TRP HB3 2.500 . 3.300 3.580 3.470 3.700 0.400 19 0 "[ . 1 . 2]" 1
403 1 31 TRP H 1 31 TRP HD1 3.000 . 4.100 2.205 2.023 2.581 . 0 0 "[ . 1 . 2]" 1
404 1 31 TRP H 1 32 HIS H 2.600 . 3.400 2.582 2.205 2.857 . 0 0 "[ . 1 . 2]" 1
405 1 31 TRP HA 1 31 TRP HD1 3.400 . 4.900 4.306 4.223 4.459 . 0 0 "[ . 1 . 2]" 1
406 1 31 TRP HA 1 31 TRP HE3 2.800 . 3.800 4.027 3.330 4.253 0.453 13 0 "[ . 1 . 2]" 1
407 1 31 TRP HA 1 32 HIS H 2.700 . 3.600 2.682 2.622 2.733 . 0 0 "[ . 1 . 2]" 1
408 1 31 TRP HB2 1 31 TRP HD1 2.500 . 3.300 2.876 2.675 3.002 . 0 0 "[ . 1 . 2]" 1
409 1 31 TRP HB2 1 31 TRP HE3 3.200 . 4.400 3.886 3.732 4.068 . 0 0 "[ . 1 . 2]" 1
410 1 31 TRP HB2 1 32 HIS H 3.100 . 4.300 4.005 3.630 4.211 . 0 0 "[ . 1 . 2]" 1
411 1 31 TRP HB3 1 31 TRP HD1 2.600 . 3.500 3.867 3.803 3.893 0.393 2 0 "[ . 1 . 2]" 1
412 1 31 TRP HB3 1 31 TRP HE3 2.900 . 3.900 2.429 2.365 2.528 . 0 0 "[ . 1 . 2]" 1
413 1 31 TRP HB3 1 32 HIS H 3.300 . 4.600 4.640 4.487 4.697 0.097 1 0 "[ . 1 . 2]" 1
414 1 31 TRP HH2 1 31 TRP HZ3 2.400 . 3.100 2.436 2.430 2.444 . 0 0 "[ . 1 . 2]" 1
415 1 32 HIS H 1 32 HIS QB 2.400 . 3.100 2.945 2.407 3.193 0.093 17 0 "[ . 1 . 2]" 1
416 1 32 HIS HA 1 33 ARG H 2.400 . 3.100 3.013 2.155 3.266 0.166 5 0 "[ . 1 . 2]" 1
417 1 32 HIS QB 1 32 HIS HD2 2.200 . 2.800 2.735 2.607 2.838 0.038 6 0 "[ . 1 . 2]" 1
418 1 32 HIS QB 1 33 ARG H 2.500 . 3.300 3.794 2.868 3.949 0.649 12 17 "[**- *** **+********]" 1
419 1 33 ARG H 1 33 ARG HA 2.900 . 4.000 2.342 2.249 2.880 . 0 0 "[ . 1 . 2]" 1
420 1 33 ARG H 1 33 ARG QB 2.600 . 3.400 2.919 2.214 3.354 . 0 0 "[ . 1 . 2]" 1
421 1 33 ARG HA 1 34 PRO HG2 3.700 . 5.400 4.353 4.117 4.665 . 0 0 "[ . 1 . 2]" 1
422 1 33 ARG HA 1 34 PRO HG3 3.700 . 5.400 4.267 3.961 4.460 . 0 0 "[ . 1 . 2]" 1
423 1 33 ARG QB 1 34 PRO HD2 3.100 . 4.300 3.418 2.097 3.856 . 0 0 "[ . 1 . 2]" 1
424 1 33 ARG QB 1 34 PRO HD3 3.400 . 4.800 4.074 3.006 4.453 . 0 0 "[ . 1 . 2]" 1
425 1 33 ARG HG2 1 34 PRO HD2 3.200 . 4.500 2.561 1.883 4.200 0.017 19 0 "[ . 1 . 2]" 1
426 1 33 ARG HG2 1 34 PRO HD3 3.600 . 5.200 3.858 3.136 4.601 . 0 0 "[ . 1 . 2]" 1
427 1 33 ARG HG3 1 34 PRO HD2 3.100 . 4.300 2.697 1.905 4.147 . 0 0 "[ . 1 . 2]" 1
428 1 33 ARG HG3 1 34 PRO HD3 3.400 . 4.800 3.759 2.865 4.871 0.071 13 0 "[ . 1 . 2]" 1
429 1 34 PRO HA 1 35 SER H 2.300 . 3.000 2.472 2.136 3.379 0.379 2 0 "[ . 1 . 2]" 1
430 1 35 SER HA 1 36 LEU H 2.300 . 2.900 2.511 2.133 3.438 0.538 4 1 "[ +. 1 . 2]" 1
431 1 36 LEU H 1 36 LEU HA 2.800 . 3.800 2.917 2.838 2.950 . 0 0 "[ . 1 . 2]" 1
432 1 36 LEU H 1 36 LEU QB 2.300 . 3.000 2.514 2.118 2.883 . 0 0 "[ . 1 . 2]" 1
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