NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403611 |
1wmv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wmv
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 554
_Distance_constraint_stats_list.Viol_count 1930
_Distance_constraint_stats_list.Viol_total 12866.340
_Distance_constraint_stats_list.Viol_max 2.258
_Distance_constraint_stats_list.Viol_rms 0.2084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0581
_Distance_constraint_stats_list.Viol_average_violations_only 0.3333
_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 11 ASP 3.777 0.451 9 0 "[ . 1 . 2]"
1 12 LEU 9.584 0.451 9 0 "[ . 1 . 2]"
1 13 PRO 15.871 0.728 13 16 "[ **** **** *+**** -*]"
1 14 TYR 22.713 0.979 17 1 "[ . 1 . + 2]"
1 15 GLY 9.375 0.454 11 0 "[ . 1 . 2]"
1 16 TRP 88.262 1.013 5 20 [****+***-***********]
1 17 GLU 25.978 1.216 10 20 [*********+*****-****]
1 18 GLN 24.040 0.708 8 19 "[*******+*****-*** **]"
1 19 GLU 31.585 0.750 17 20 [*************-**+***]
1 20 THR 97.562 2.258 12 20 [-**********+********]
1 21 ASP 12.380 0.956 12 1 "[ . 1 + . 2]"
1 22 GLU 34.262 1.371 10 20 [*********+*-********]
1 23 ASN 8.635 0.956 12 1 "[ . 1 + . 2]"
1 24 GLY 6.695 0.371 1 0 "[ . 1 . 2]"
1 25 GLN 9.076 0.781 12 3 "[- . * + . 2]"
1 26 VAL 22.393 0.781 12 9 "[* .*** * + *-* 2]"
1 27 PHE 195.683 2.258 12 20 [***-*******+********]
1 28 PHE 57.162 1.204 7 20 [******+************-]
1 29 VAL 74.905 1.764 5 20 [****+**-************]
1 30 ASP 12.199 0.611 6 5 "[ .+ -1 * . * *]"
1 31 HIS 33.433 1.764 5 20 [**-*+***************]
1 32 ILE 23.988 0.979 17 15 "[** ***-* * **** + **]"
1 33 ASN 8.971 0.603 5 1 "[ + 1 . 2]"
1 34 LYS 13.645 0.909 5 3 "[ * + - 1 . 2]"
1 35 ARG 16.954 0.909 5 3 "[ * + - 1 . 2]"
1 36 THR 33.114 1.194 12 20 [*******-***+********]
1 37 THR 41.980 1.184 10 20 [*********+*********-]
1 38 TYR 39.598 1.194 12 20 [***********+******-*]
1 39 LEU 39.936 1.575 8 20 [*-*****+************]
1 40 ASP 22.365 0.653 17 15 "[ ************ .-+* 2]"
1 41 PRO 27.949 1.122 1 20 [+**************-****]
1 42 ARG 0.446 0.347 15 0 "[ . 1 . 2]"
1 43 LEU 21.071 0.633 2 5 "[ + . - 1 *.* *]"
1 44 ALA 32.162 1.122 1 18 "[+-*******1****** ***]"
1 45 PHE 10.836 0.405 13 0 "[ . 1 . 2]"
1 46 THR 0.558 0.219 14 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 11 ASP H 1 11 ASP HB2 2.700 . 3.600 2.597 2.103 3.610 0.010 18 0 "[ . 1 . 2]" 1
2 1 11 ASP H 1 11 ASP HB3 2.500 . 3.300 2.909 2.358 3.595 0.295 11 0 "[ . 1 . 2]" 1
3 1 11 ASP H 1 12 LEU H 3.100 . 4.300 3.225 2.109 4.539 0.239 17 0 "[ . 1 . 2]" 1
4 1 11 ASP HB2 1 12 LEU H 2.600 . 3.500 3.272 1.945 3.951 0.451 9 0 "[ . 1 . 2]" 1
5 1 11 ASP HB3 1 12 LEU H 2.800 . 3.800 2.689 1.628 3.950 0.172 14 0 "[ . 1 . 2]" 1
6 1 12 LEU H 1 12 LEU HA 2.800 . 3.800 2.899 2.863 2.944 . 0 0 "[ . 1 . 2]" 1
7 1 12 LEU H 1 12 LEU QB 2.200 . 2.800 2.460 2.110 2.683 . 0 0 "[ . 1 . 2]" 1
8 1 12 LEU H 1 12 LEU QD 2.600 . 3.500 3.029 2.426 3.332 . 0 0 "[ . 1 . 2]" 1
9 1 12 LEU HA 1 13 PRO HD2 2.900 . 3.900 2.834 2.610 3.173 . 0 0 "[ . 1 . 2]" 1
10 1 12 LEU HA 1 13 PRO HD3 2.700 . 3.600 2.061 1.843 2.228 . 0 0 "[ . 1 . 2]" 1
11 1 12 LEU QB 1 12 LEU QD 2.100 . 2.600 1.844 1.708 1.938 . 0 0 "[ . 1 . 2]" 1
12 1 12 LEU QB 1 16 TRP HA 3.600 . 5.300 4.328 4.022 4.995 . 0 0 "[ . 1 . 2]" 1
13 1 12 LEU MD1 1 12 LEU MD2 2.000 . 2.500 2.020 1.877 2.088 . 0 0 "[ . 1 . 2]" 1
14 1 12 LEU QD 1 13 PRO HD2 3.100 . 3.400 2.934 2.675 3.241 . 0 0 "[ . 1 . 2]" 1
15 1 12 LEU QD 1 13 PRO HD3 3.200 . 3.400 3.152 2.509 3.825 0.425 5 0 "[ . 1 . 2]" 1
16 1 12 LEU QD 1 16 TRP HA 3.700 . 5.400 4.031 3.795 4.461 . 0 0 "[ . 1 . 2]" 1
17 1 12 LEU QD 1 16 TRP HB2 2.900 . 3.900 2.896 2.664 3.208 . 0 0 "[ . 1 . 2]" 1
18 1 12 LEU QD 1 16 TRP HB3 2.900 . 4.000 2.302 1.946 2.824 . 0 0 "[ . 1 . 2]" 1
19 1 12 LEU QD 1 16 TRP HD1 3.300 . 4.300 4.528 4.378 4.660 0.360 13 0 "[ . 1 . 2]" 1
20 1 12 LEU QD 1 16 TRP HE3 3.100 . 4.100 3.450 3.168 3.799 . 0 0 "[ . 1 . 2]" 1
21 1 12 LEU QD 1 17 GLU H 3.100 . 4.300 3.582 3.286 3.908 . 0 0 "[ . 1 . 2]" 1
22 1 12 LEU QD 1 18 GLN H 2.600 . 3.400 2.945 2.348 3.391 . 0 0 "[ . 1 . 2]" 1
23 1 12 LEU QD 1 18 GLN QB 2.400 . 3.100 1.997 1.679 2.410 0.221 16 0 "[ . 1 . 2]" 1
24 1 12 LEU QD 1 28 PHE QD 2.400 . 3.100 1.909 1.681 2.240 0.019 16 0 "[ . 1 . 2]" 1
25 1 12 LEU QD 1 28 PHE QE 2.500 . 3.100 2.791 2.599 2.897 . 0 0 "[ . 1 . 2]" 1
26 1 13 PRO HA 1 14 TYR H 2.100 . 2.600 2.460 2.306 2.679 0.079 13 0 "[ . 1 . 2]" 1
27 1 13 PRO HA 1 16 TRP HD1 2.800 . 3.800 4.369 4.211 4.528 0.728 13 16 "[ **** **** *+**** -*]" 1
28 1 13 PRO HB2 1 14 TYR H 2.800 . 3.800 3.028 2.520 3.360 . 0 0 "[ . 1 . 2]" 1
29 1 13 PRO HB2 1 16 TRP HD1 2.200 . 2.800 1.632 1.585 1.722 0.015 6 0 "[ . 1 . 2]" 1
30 1 13 PRO HB2 1 16 TRP HE1 2.800 . 3.800 3.573 3.251 3.786 . 0 0 "[ . 1 . 2]" 1
31 1 13 PRO HB3 1 14 TYR H 2.600 . 3.500 2.741 2.427 3.145 . 0 0 "[ . 1 . 2]" 1
32 1 13 PRO HB3 1 16 TRP HD1 2.500 . 3.300 3.300 3.213 3.408 0.108 1 0 "[ . 1 . 2]" 1
33 1 13 PRO HB3 1 16 TRP HE1 3.300 . 4.600 4.623 4.425 4.775 0.175 10 0 "[ . 1 . 2]" 1
34 1 13 PRO HD2 1 16 TRP HD1 2.700 . 3.600 2.608 2.358 2.751 . 0 0 "[ . 1 . 2]" 1
35 1 13 PRO HD2 1 16 TRP HE1 3.600 . 5.200 4.204 3.854 4.479 . 0 0 "[ . 1 . 2]" 1
36 1 13 PRO HD3 1 16 TRP HD1 3.000 . 4.100 4.093 3.874 4.163 0.063 7 0 "[ . 1 . 2]" 1
37 1 13 PRO HG2 1 16 TRP HD1 2.500 . 3.300 2.504 2.293 2.733 . 0 0 "[ . 1 . 2]" 1
38 1 13 PRO HG2 1 16 TRP HE1 3.000 . 4.200 3.046 2.778 3.228 . 0 0 "[ . 1 . 2]" 1
39 1 13 PRO HG3 1 16 TRP HD1 2.800 . 3.800 3.863 3.714 4.000 0.200 1 0 "[ . 1 . 2]" 1
40 1 13 PRO HG3 1 16 TRP HE1 3.400 . 4.900 4.762 4.528 4.907 0.007 9 0 "[ . 1 . 2]" 1
41 1 14 TYR H 1 14 TYR HA 2.700 . 3.600 2.793 2.737 2.837 . 0 0 "[ . 1 . 2]" 1
42 1 14 TYR H 1 14 TYR QB 2.300 . 2.900 2.098 2.003 2.784 . 0 0 "[ . 1 . 2]" 1
43 1 14 TYR H 1 14 TYR QD 2.800 . 3.800 3.757 2.226 3.903 0.103 7 0 "[ . 1 . 2]" 1
44 1 14 TYR H 1 15 GLY H 3.300 . 4.600 2.837 2.636 4.566 . 0 0 "[ . 1 . 2]" 1
45 1 14 TYR H 1 16 TRP HD1 3.200 . 4.500 4.425 3.890 4.599 0.099 6 0 "[ . 1 . 2]" 1
46 1 14 TYR HA 1 14 TYR QB 2.600 . 3.400 2.193 2.135 2.216 . 0 0 "[ . 1 . 2]" 1
47 1 14 TYR HA 1 14 TYR QD 2.600 . 3.500 3.111 2.996 3.470 . 0 0 "[ . 1 . 2]" 1
48 1 14 TYR HA 1 14 TYR QE 3.300 . 4.700 5.080 5.012 5.411 0.711 17 1 "[ . 1 . + 2]" 1
49 1 14 TYR HA 1 15 GLY H 2.400 . 3.100 3.468 2.166 3.554 0.454 11 0 "[ . 1 . 2]" 1
50 1 14 TYR HA 1 16 TRP H 3.000 . 4.100 4.120 3.605 4.257 0.157 13 0 "[ . 1 . 2]" 1
51 1 14 TYR QB 1 14 TYR QD 2.300 . 3.000 2.131 2.115 2.138 . 0 0 "[ . 1 . 2]" 1
52 1 14 TYR QB 1 14 TYR QE 3.000 . 4.000 3.926 3.904 3.937 . 0 0 "[ . 1 . 2]" 1
53 1 14 TYR QB 1 15 GLY H 2.500 . 3.300 2.926 2.776 3.364 0.064 1 0 "[ . 1 . 2]" 1
54 1 14 TYR QD 1 15 GLY H 2.800 . 3.800 2.869 2.252 3.122 . 0 0 "[ . 1 . 2]" 1
55 1 14 TYR QD 1 32 ILE MD 2.600 . 3.500 3.427 2.341 3.687 0.187 9 0 "[ . 1 . 2]" 1
56 1 14 TYR QE 1 15 GLY H 3.300 . 4.700 4.680 3.812 4.822 0.122 19 0 "[ . 1 . 2]" 1
57 1 14 TYR QE 1 32 ILE MD 2.600 . 3.400 2.413 1.887 3.555 0.155 17 0 "[ . 1 . 2]" 1
58 1 14 TYR QE 1 32 ILE HG12 3.400 . 4.800 4.307 3.160 5.779 0.979 17 1 "[ . 1 . + 2]" 1
59 1 15 GLY H 1 16 TRP H 2.600 . 3.500 2.580 2.419 3.041 . 0 0 "[ . 1 . 2]" 1
60 1 15 GLY QA 1 16 TRP H 3.100 . 3.800 2.843 2.676 2.916 . 0 0 "[ . 1 . 2]" 1
61 1 15 GLY QA 1 16 TRP HD1 3.300 . 4.000 3.939 3.873 4.050 0.050 1 0 "[ . 1 . 2]" 1
62 1 15 GLY QA 1 31 HIS H 3.500 . 5.000 3.289 2.916 3.555 . 0 0 "[ . 1 . 2]" 1
63 1 15 GLY QA 1 32 ILE MD 2.700 . 3.600 2.515 1.735 3.200 0.065 16 0 "[ . 1 . 2]" 1
64 1 16 TRP H 1 16 TRP HA 2.900 . 3.900 2.885 2.854 2.905 . 0 0 "[ . 1 . 2]" 1
65 1 16 TRP H 1 16 TRP HB2 2.500 . 3.300 2.364 2.311 2.413 . 0 0 "[ . 1 . 2]" 1
66 1 16 TRP H 1 16 TRP HB3 2.500 . 3.300 3.588 3.552 3.625 0.325 8 0 "[ . 1 . 2]" 1
67 1 16 TRP H 1 16 TRP HD1 2.600 . 3.400 2.544 2.481 2.636 . 0 0 "[ . 1 . 2]" 1
68 1 16 TRP H 1 16 TRP HE1 3.300 . 4.700 4.823 4.794 4.857 0.157 14 0 "[ . 1 . 2]" 1
69 1 16 TRP H 1 17 GLU H 3.300 . 4.700 4.526 4.446 4.571 . 0 0 "[ . 1 . 2]" 1
70 1 16 TRP HA 1 16 TRP HB2 3.000 . 4.200 3.010 3.005 3.017 . 0 0 "[ . 1 . 2]" 1
71 1 16 TRP HA 1 16 TRP HB3 2.900 . 3.900 2.512 2.494 2.535 . 0 0 "[ . 1 . 2]" 1
72 1 16 TRP HA 1 16 TRP HD1 3.100 . 4.300 4.009 3.909 4.118 . 0 0 "[ . 1 . 2]" 1
73 1 16 TRP HA 1 16 TRP HE3 2.900 . 3.900 3.193 2.985 3.346 . 0 0 "[ . 1 . 2]" 1
74 1 16 TRP HA 1 16 TRP HZ3 3.200 . 4.500 5.230 5.031 5.368 0.868 14 20 [-************+******] 1
75 1 16 TRP HA 1 17 GLU H 2.400 . 3.100 2.132 2.084 2.197 . 0 0 "[ . 1 . 2]" 1
76 1 16 TRP HA 1 17 GLU QB 3.400 . 4.900 4.045 3.924 4.140 . 0 0 "[ . 1 . 2]" 1
77 1 16 TRP HA 1 17 GLU QG 3.400 . 4.900 4.699 4.363 5.023 0.123 13 0 "[ . 1 . 2]" 1
78 1 16 TRP HA 1 30 ASP HA 2.700 . 3.600 2.106 1.806 2.407 . 0 0 "[ . 1 . 2]" 1
79 1 16 TRP HA 1 30 ASP HB2 3.600 . 5.200 3.754 3.151 4.209 . 0 0 "[ . 1 . 2]" 1
80 1 16 TRP HA 1 30 ASP HB3 3.600 . 5.300 4.740 4.012 5.209 . 0 0 "[ . 1 . 2]" 1
81 1 16 TRP HA 1 31 HIS H 3.000 . 4.100 3.439 3.243 3.776 . 0 0 "[ . 1 . 2]" 1
82 1 16 TRP HA 1 31 HIS HD2 3.200 . 4.500 4.185 3.705 4.519 0.019 8 0 "[ . 1 . 2]" 1
83 1 16 TRP HB2 1 16 TRP HD1 2.500 . 3.300 2.671 2.643 2.700 . 0 0 "[ . 1 . 2]" 1
84 1 16 TRP HB2 1 16 TRP HE3 2.800 . 3.800 4.066 4.038 4.110 0.310 1 0 "[ . 1 . 2]" 1
85 1 16 TRP HB2 1 17 GLU H 3.200 . 4.500 4.137 4.002 4.345 . 0 0 "[ . 1 . 2]" 1
86 1 16 TRP HB3 1 16 TRP HD1 2.700 . 3.600 3.815 3.796 3.835 0.235 2 0 "[ . 1 . 2]" 1
87 1 16 TRP HB3 1 16 TRP HE3 2.600 . 3.400 2.510 2.478 2.583 . 0 0 "[ . 1 . 2]" 1
88 1 16 TRP HB3 1 17 GLU H 2.900 . 3.900 3.080 2.861 3.450 . 0 0 "[ . 1 . 2]" 1
89 1 16 TRP HD1 1 30 ASP HA 3.500 . 5.000 4.733 4.366 5.035 0.035 1 0 "[ . 1 . 2]" 1
90 1 16 TRP HE1 1 41 PRO QB 3.400 . 4.900 4.122 3.694 4.713 . 0 0 "[ . 1 . 2]" 1
91 1 16 TRP HE3 1 17 GLU H 3.000 . 4.100 3.525 3.294 3.915 . 0 0 "[ . 1 . 2]" 1
92 1 16 TRP HE3 1 28 PHE HA 3.200 . 4.500 3.632 3.530 3.781 . 0 0 "[ . 1 . 2]" 1
93 1 16 TRP HE3 1 28 PHE HB2 2.700 . 3.600 2.728 2.565 2.955 . 0 0 "[ . 1 . 2]" 1
94 1 16 TRP HE3 1 28 PHE HB3 2.500 . 3.300 2.324 2.256 2.463 . 0 0 "[ . 1 . 2]" 1
95 1 16 TRP HE3 1 29 VAL H 3.000 . 4.100 2.921 2.777 3.137 . 0 0 "[ . 1 . 2]" 1
96 1 16 TRP HE3 1 30 ASP HA 2.800 . 3.800 4.003 3.761 4.155 0.355 6 0 "[ . 1 . 2]" 1
97 1 16 TRP HE3 1 37 THR MG 2.900 . 3.900 3.568 3.409 3.704 . 0 0 "[ . 1 . 2]" 1
98 1 16 TRP HE3 1 41 PRO HG2 3.300 . 4.600 4.034 3.114 4.771 0.171 19 0 "[ . 1 . 2]" 1
99 1 16 TRP HE3 1 41 PRO HG3 3.400 . 4.900 3.787 3.468 4.141 . 0 0 "[ . 1 . 2]" 1
100 1 16 TRP HH2 1 37 THR MG 2.200 . 2.800 2.182 2.007 2.311 . 0 0 "[ . 1 . 2]" 1
101 1 16 TRP HH2 1 41 PRO HG2 3.300 . 4.700 4.646 4.220 4.739 0.039 2 0 "[ . 1 . 2]" 1
102 1 16 TRP HH2 1 41 PRO HG3 2.900 . 3.900 3.645 3.274 3.922 0.022 6 0 "[ . 1 . 2]" 1
103 1 16 TRP HZ2 1 30 ASP HB2 3.200 . 4.500 3.542 3.025 4.491 . 0 0 "[ . 1 . 2]" 1
104 1 16 TRP HZ2 1 30 ASP HB3 3.400 . 4.800 4.185 3.667 4.771 . 0 0 "[ . 1 . 2]" 1
105 1 16 TRP HZ2 1 35 ARG QD 3.300 . 4.600 3.650 2.355 4.721 0.121 8 0 "[ . 1 . 2]" 1
106 1 16 TRP HZ2 1 37 THR MG 2.900 . 4.000 4.071 4.039 4.103 0.103 20 0 "[ . 1 . 2]" 1
107 1 16 TRP HZ2 1 41 PRO QB 3.500 . 5.000 3.170 2.768 3.908 . 0 0 "[ . 1 . 2]" 1
108 1 16 TRP HZ3 1 28 PHE HA 3.400 . 4.900 4.691 4.559 4.821 . 0 0 "[ . 1 . 2]" 1
109 1 16 TRP HZ3 1 28 PHE HB2 2.300 . 3.000 2.886 2.706 2.975 . 0 0 "[ . 1 . 2]" 1
110 1 16 TRP HZ3 1 28 PHE HB3 2.800 . 3.800 3.836 3.715 3.876 0.076 11 0 "[ . 1 . 2]" 1
111 1 16 TRP HZ3 1 29 VAL HA 3.400 . 4.800 2.785 2.725 2.851 . 0 0 "[ . 1 . 2]" 1
112 1 16 TRP HZ3 1 29 VAL HB 2.900 . 3.900 4.862 4.816 4.913 1.013 5 20 [****+**-************] 1
113 1 16 TRP HZ3 1 30 ASP H 3.200 . 4.500 3.118 2.969 3.292 . 0 0 "[ . 1 . 2]" 1
114 1 16 TRP HZ3 1 30 ASP HA 3.400 . 4.800 5.174 4.911 5.411 0.611 6 5 "[ .+ -1 * . * *]" 1
115 1 16 TRP HZ3 1 37 THR MG 2.300 . 2.900 1.894 1.798 2.096 . 0 0 "[ . 1 . 2]" 1
116 1 17 GLU H 1 17 GLU QB 3.000 . 3.800 2.373 2.213 2.466 . 0 0 "[ . 1 . 2]" 1
117 1 17 GLU H 1 17 GLU QG 3.000 . 4.100 3.594 3.358 3.882 . 0 0 "[ . 1 . 2]" 1
118 1 17 GLU H 1 29 VAL H 3.000 . 4.200 2.629 2.392 2.895 . 0 0 "[ . 1 . 2]" 1
119 1 17 GLU H 1 29 VAL HB 3.100 . 4.300 5.367 5.238 5.516 1.216 10 20 [*********+********-*] 1
120 1 17 GLU H 1 29 VAL QG 3.300 . 4.300 3.083 2.933 3.277 . 0 0 "[ . 1 . 2]" 1
121 1 17 GLU H 1 30 ASP HA 3.200 . 4.500 3.563 3.172 3.943 . 0 0 "[ . 1 . 2]" 1
122 1 17 GLU H 1 31 HIS HD2 3.300 . 4.700 3.233 2.904 3.504 . 0 0 "[ . 1 . 2]" 1
123 1 17 GLU HA 1 18 GLN H 2.700 . 3.600 2.231 2.154 2.297 . 0 0 "[ . 1 . 2]" 1
124 1 17 GLU QB 1 18 GLN H 2.700 . 3.100 3.048 2.774 3.311 0.211 15 0 "[ . 1 . 2]" 1
125 1 17 GLU QB 1 29 VAL H 3.200 . 4.500 3.192 2.986 3.422 . 0 0 "[ . 1 . 2]" 1
126 1 17 GLU QB 1 29 VAL QG . . 3.100 2.649 2.478 2.779 . 0 0 "[ . 1 . 2]" 1
127 1 17 GLU QB 1 31 HIS HD2 2.900 . 3.600 1.843 1.724 2.232 0.076 3 0 "[ . 1 . 2]" 1
128 1 17 GLU QG 1 18 GLN H 2.700 . 3.600 3.546 2.788 4.296 0.696 16 1 "[ . 1 .+ 2]" 1
129 1 17 GLU QG 1 29 VAL QG 3.200 . 4.300 4.145 3.931 4.342 0.042 13 0 "[ . 1 . 2]" 1
130 1 17 GLU QG 1 31 HIS HD2 2.600 . 3.400 2.575 1.852 3.497 0.097 13 0 "[ . 1 . 2]" 1
131 1 18 GLN H 1 18 GLN QB 2.400 . 3.100 2.300 2.243 2.357 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLN H 1 18 GLN QG 3.200 . 4.500 3.951 3.853 4.016 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLN HA 1 28 PHE HA 3.200 . 4.500 2.701 2.466 2.956 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLN HA 1 28 PHE QD 2.900 . 4.000 2.313 2.059 2.610 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLN HA 1 28 PHE QE 3.400 . 4.800 3.917 3.683 4.198 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLN QB 1 18 GLN HE21 2.800 . 3.800 3.516 2.771 3.892 0.092 6 0 "[ . 1 . 2]" 1
137 1 18 GLN QB 1 18 GLN HE22 3.200 . 4.500 3.923 3.549 4.127 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLN QB 1 19 GLU H 2.600 . 3.400 3.937 3.860 3.984 0.584 2 17 "[ +***********-** **]" 1
139 1 18 GLN QB 1 26 VAL QG 2.500 . 3.300 3.754 3.559 4.008 0.708 8 7 "[* .**+ 1 *-* 2]" 1
140 1 18 GLN QB 1 28 PHE HA 3.300 . 4.700 4.462 4.138 4.671 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLN QB 1 28 PHE QD 2.600 . 3.400 2.846 2.634 3.021 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLN QB 1 28 PHE QE 2.500 . 3.300 3.267 3.066 3.318 0.018 13 0 "[ . 1 . 2]" 1
143 1 18 GLN HE21 1 18 GLN QG 2.600 . 3.500 2.170 2.080 2.265 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLN HE21 1 26 VAL QG 2.800 . 3.600 2.150 1.782 2.770 0.018 4 0 "[ . 1 . 2]" 1
145 1 18 GLN HE22 1 26 VAL QG 2.900 . 3.800 3.180 2.782 3.567 . 0 0 "[ . 1 . 2]" 1
146 1 18 GLN QG 1 19 GLU H 2.900 . 3.900 3.246 3.016 3.490 . 0 0 "[ . 1 . 2]" 1
147 1 18 GLN QG 1 26 VAL QG 2.700 . 3.600 2.051 1.850 2.367 . 0 0 "[ . 1 . 2]" 1
148 1 18 GLN QG 1 28 PHE QE 3.100 . 4.300 2.807 1.992 3.610 . 0 0 "[ . 1 . 2]" 1
149 1 19 GLU H 1 19 GLU HA 2.700 . 3.600 2.946 2.926 2.952 . 0 0 "[ . 1 . 2]" 1
150 1 19 GLU H 1 19 GLU HB2 2.800 . 3.800 2.739 2.213 2.896 . 0 0 "[ . 1 . 2]" 1
151 1 19 GLU H 1 19 GLU HB3 2.600 . 3.500 3.733 3.462 3.826 0.326 1 0 "[ . 1 . 2]" 1
152 1 19 GLU H 1 19 GLU QG 2.500 . 3.300 2.562 2.190 3.214 . 0 0 "[ . 1 . 2]" 1
153 1 19 GLU H 1 27 PHE H 2.600 . 3.400 3.328 3.154 3.440 0.040 7 0 "[ . 1 . 2]" 1
154 1 19 GLU H 1 27 PHE QD 3.300 . 4.700 4.302 4.068 4.505 . 0 0 "[ . 1 . 2]" 1
155 1 19 GLU H 1 27 PHE QE 3.600 . 5.200 4.584 4.333 4.824 . 0 0 "[ . 1 . 2]" 1
156 1 19 GLU H 1 28 PHE HA 3.000 . 4.100 3.067 2.757 3.279 . 0 0 "[ . 1 . 2]" 1
157 1 19 GLU H 1 28 PHE QD 3.200 . 4.500 3.901 3.292 4.238 . 0 0 "[ . 1 . 2]" 1
158 1 19 GLU HA 1 19 GLU HB2 2.800 . 3.800 2.997 2.965 3.023 . 0 0 "[ . 1 . 2]" 1
159 1 19 GLU HA 1 19 GLU HB3 2.600 . 3.400 2.381 2.320 2.672 . 0 0 "[ . 1 . 2]" 1
160 1 19 GLU HA 1 20 THR H 2.200 . 2.800 2.430 2.358 2.572 . 0 0 "[ . 1 . 2]" 1
161 1 19 GLU HB2 1 20 THR H 2.800 . 3.800 3.277 3.168 3.777 . 0 0 "[ . 1 . 2]" 1
162 1 19 GLU HB2 1 27 PHE QD 3.200 . 4.500 3.637 3.310 3.719 . 0 0 "[ . 1 . 2]" 1
163 1 19 GLU HB2 1 27 PHE QE 3.200 . 4.500 2.839 2.652 2.962 . 0 0 "[ . 1 . 2]" 1
164 1 19 GLU HB2 1 27 PHE HZ 3.000 . 4.100 2.733 2.438 3.525 . 0 0 "[ . 1 . 2]" 1
165 1 19 GLU HB2 1 29 VAL QG 3.300 . 4.600 3.018 2.389 3.232 . 0 0 "[ . 1 . 2]" 1
166 1 19 GLU HB3 1 20 THR H 2.400 . 3.100 2.428 2.046 2.595 . 0 0 "[ . 1 . 2]" 1
167 1 19 GLU HB3 1 27 PHE QD 3.400 . 4.800 4.880 3.916 5.091 0.291 3 0 "[ . 1 . 2]" 1
168 1 19 GLU HB3 1 27 PHE QE 2.800 . 3.800 3.630 2.957 3.820 0.020 2 0 "[ . 1 . 2]" 1
169 1 19 GLU HB3 1 27 PHE HZ 2.900 . 4.000 3.159 2.622 3.433 . 0 0 "[ . 1 . 2]" 1
170 1 19 GLU QG 1 20 THR H 2.700 . 3.600 4.224 3.788 4.350 0.750 17 16 "[-***.* **** ****+* *]" 1
171 1 19 GLU QG 1 27 PHE QD 3.100 . 4.300 4.071 3.711 4.426 0.126 5 0 "[ . 1 . 2]" 1
172 1 19 GLU QG 1 27 PHE QE 2.500 . 3.300 3.020 2.664 3.108 . 0 0 "[ . 1 . 2]" 1
173 1 19 GLU QG 1 27 PHE HZ 2.800 . 3.800 3.742 3.558 3.792 . 0 0 "[ . 1 . 2]" 1
174 1 19 GLU QG 1 28 PHE HA 3.500 . 5.000 4.073 3.585 4.901 . 0 0 "[ . 1 . 2]" 1
175 1 20 THR H 1 20 THR HA 2.900 . 3.900 2.941 2.928 2.946 . 0 0 "[ . 1 . 2]" 1
176 1 20 THR H 1 20 THR HB 2.700 . 3.600 2.895 2.759 3.255 . 0 0 "[ . 1 . 2]" 1
177 1 20 THR H 1 20 THR MG 2.700 . 3.600 3.902 3.810 3.944 0.344 1 0 "[ . 1 . 2]" 1
178 1 20 THR HA 1 20 THR HB 2.700 . 3.600 2.999 2.888 3.027 . 0 0 "[ . 1 . 2]" 1
179 1 20 THR HA 1 20 THR MG 2.300 . 2.900 2.158 1.860 2.391 . 0 0 "[ . 1 . 2]" 1
180 1 20 THR HA 1 21 ASP H 2.200 . 2.800 2.196 2.170 2.238 . 0 0 "[ . 1 . 2]" 1
181 1 20 THR HA 1 26 VAL HA 2.400 . 3.100 2.241 2.047 2.400 . 0 0 "[ . 1 . 2]" 1
182 1 20 THR HA 1 26 VAL QG 3.000 . 3.900 3.043 2.928 3.155 . 0 0 "[ . 1 . 2]" 1
183 1 20 THR HA 1 27 PHE H 2.500 . 3.300 3.341 3.043 3.607 0.307 13 0 "[ . 1 . 2]" 1
184 1 20 THR HA 1 27 PHE QD 2.900 . 4.000 3.126 2.925 3.421 . 0 0 "[ . 1 . 2]" 1
185 1 20 THR HA 1 27 PHE QE 3.400 . 4.800 3.253 3.165 3.427 . 0 0 "[ . 1 . 2]" 1
186 1 20 THR HB 1 20 THR MG 2.200 . 2.800 2.096 2.087 2.113 . 0 0 "[ . 1 . 2]" 1
187 1 20 THR HB 1 21 ASP H 2.900 . 3.900 3.816 3.440 4.013 0.113 5 0 "[ . 1 . 2]" 1
188 1 20 THR MG 1 21 ASP H 2.400 . 3.100 2.196 2.004 2.744 . 0 0 "[ . 1 . 2]" 1
189 1 20 THR MG 1 24 GLY H 2.600 . 3.400 3.337 3.165 3.532 0.132 12 0 "[ . 1 . 2]" 1
190 1 20 THR MG 1 24 GLY HA2 2.500 . 3.300 2.045 1.879 2.173 . 0 0 "[ . 1 . 2]" 1
191 1 20 THR MG 1 24 GLY HA3 2.400 . 3.100 3.417 3.303 3.471 0.371 1 0 "[ . 1 . 2]" 1
192 1 20 THR MG 1 26 VAL H 3.000 . 4.100 3.835 3.392 4.218 0.118 5 0 "[ . 1 . 2]" 1
193 1 20 THR MG 1 26 VAL HA 2.600 . 3.500 2.913 2.439 3.300 . 0 0 "[ . 1 . 2]" 1
194 1 20 THR MG 1 26 VAL HA 2.300 . 3.000 2.664 2.356 2.934 . 0 0 "[ . 1 . 2]" 1
195 1 20 THR MG 1 26 VAL QG 3.100 . 4.300 3.359 2.950 3.666 . 0 0 "[ . 1 . 2]" 1
196 1 20 THR MG 1 27 PHE H 2.500 . 3.300 4.600 4.152 4.994 1.694 13 20 [*****-******+*******] 1
197 1 20 THR MG 1 27 PHE HZ 2.900 . 4.000 6.187 6.124 6.258 2.258 12 20 [**********-+********] 1
198 1 21 ASP H 1 21 ASP HB2 3.100 . 4.300 3.509 3.228 3.593 . 0 0 "[ . 1 . 2]" 1
199 1 21 ASP H 1 21 ASP HB3 3.000 . 4.100 2.251 2.152 2.353 . 0 0 "[ . 1 . 2]" 1
200 1 21 ASP H 1 22 GLU H 3.100 . 4.300 4.444 4.376 4.470 0.170 10 0 "[ . 1 . 2]" 1
201 1 21 ASP H 1 23 ASN H 3.200 . 4.500 4.759 4.452 5.456 0.956 12 1 "[ . 1 + . 2]" 1
202 1 21 ASP H 1 24 GLY H 3.300 . 4.600 3.788 3.605 4.263 . 0 0 "[ . 1 . 2]" 1
203 1 21 ASP H 1 25 GLN H 2.700 . 3.600 3.385 3.153 3.686 0.086 12 0 "[ . 1 . 2]" 1
204 1 21 ASP H 1 25 GLN QB 3.300 . 4.700 3.820 3.351 4.073 . 0 0 "[ . 1 . 2]" 1
205 1 21 ASP H 1 26 VAL HA 2.700 . 3.600 2.777 2.744 2.792 . 0 0 "[ . 1 . 2]" 1
206 1 21 ASP H 1 26 VAL QG 3.500 . 4.700 4.562 4.498 4.608 . 0 0 "[ . 1 . 2]" 1
207 1 21 ASP H 1 27 PHE QD 2.800 . 3.800 2.752 2.544 2.975 . 0 0 "[ . 1 . 2]" 1
208 1 21 ASP H 1 27 PHE QE 2.800 . 3.800 2.746 2.582 2.916 . 0 0 "[ . 1 . 2]" 1
209 1 21 ASP HA 1 21 ASP HB2 2.800 . 3.800 2.265 2.244 2.310 . 0 0 "[ . 1 . 2]" 1
210 1 21 ASP HA 1 21 ASP HB3 2.900 . 4.000 2.729 2.663 2.994 . 0 0 "[ . 1 . 2]" 1
211 1 21 ASP HA 1 22 GLU H 3.100 . 4.300 2.588 2.477 2.678 . 0 0 "[ . 1 . 2]" 1
212 1 21 ASP HB2 1 22 GLU H 2.500 . 3.300 2.526 2.352 3.386 0.086 12 0 "[ . 1 . 2]" 1
213 1 21 ASP HB2 1 27 PHE QD 3.100 . 4.300 3.978 2.756 4.296 . 0 0 "[ . 1 . 2]" 1
214 1 21 ASP HB2 1 27 PHE QE 3.000 . 4.100 3.281 2.188 3.533 . 0 0 "[ . 1 . 2]" 1
215 1 21 ASP HB3 1 22 GLU H 2.600 . 3.500 3.689 3.534 3.785 0.285 7 0 "[ . 1 . 2]" 1
216 1 21 ASP HB3 1 27 PHE QD 2.900 . 3.900 2.662 2.379 2.913 . 0 0 "[ . 1 . 2]" 1
217 1 21 ASP HB3 1 27 PHE QE 2.900 . 4.000 2.871 2.585 3.223 . 0 0 "[ . 1 . 2]" 1
218 1 22 GLU H 1 22 GLU HA 2.600 . 3.400 2.832 2.623 2.863 . 0 0 "[ . 1 . 2]" 1
219 1 22 GLU H 1 22 GLU QB 2.400 . 3.100 2.889 2.755 2.952 . 0 0 "[ . 1 . 2]" 1
220 1 22 GLU H 1 22 GLU QG 2.500 . 3.300 1.575 1.277 1.877 0.423 18 0 "[ . 1 . 2]" 1
221 1 22 GLU H 1 23 ASN H 2.800 . 3.700 2.623 2.508 3.597 . 0 0 "[ . 1 . 2]" 1
222 1 22 GLU H 1 27 PHE QD 3.400 . 4.800 5.968 5.669 6.171 1.371 10 20 [*********+*-********] 1
223 1 22 GLU H 1 27 PHE QE 3.300 . 4.700 4.750 4.597 4.862 0.162 12 0 "[ . 1 . 2]" 1
224 1 22 GLU HA 1 22 GLU QB 2.100 . 2.700 2.154 2.133 2.191 . 0 0 "[ . 1 . 2]" 1
225 1 22 GLU HA 1 22 GLU QG 2.500 . 3.300 3.188 2.918 3.331 0.031 11 0 "[ . 1 . 2]" 1
226 1 22 GLU HA 1 23 ASN H 3.100 . 4.300 3.466 3.353 3.575 . 0 0 "[ . 1 . 2]" 1
227 1 22 GLU QB 1 23 ASN H 3.100 . 4.300 3.282 2.249 3.671 . 0 0 "[ . 1 . 2]" 1
228 1 22 GLU QG 1 23 ASN H 2.900 . 4.000 2.813 2.146 3.480 . 0 0 "[ . 1 . 2]" 1
229 1 22 GLU QG 1 23 ASN HD21 3.200 . 4.500 3.050 2.472 3.960 . 0 0 "[ . 1 . 2]" 1
230 1 22 GLU QG 1 23 ASN HD22 3.100 . 4.300 3.503 2.619 4.359 0.059 12 0 "[ . 1 . 2]" 1
231 1 23 ASN H 1 23 ASN HA 2.600 . 3.500 2.894 2.845 2.934 . 0 0 "[ . 1 . 2]" 1
232 1 23 ASN H 1 23 ASN HB2 2.500 . 3.300 2.396 2.226 2.497 . 0 0 "[ . 1 . 2]" 1
233 1 23 ASN H 1 23 ASN HB3 2.700 . 3.600 3.603 3.510 3.667 0.067 6 0 "[ . 1 . 2]" 1
234 1 23 ASN H 1 23 ASN HD21 3.300 . 4.700 2.307 2.115 2.523 . 0 0 "[ . 1 . 2]" 1
235 1 23 ASN H 1 23 ASN HD22 3.400 . 4.900 3.702 3.456 4.170 . 0 0 "[ . 1 . 2]" 1
236 1 23 ASN H 1 24 GLY H 2.300 . 3.000 2.392 2.130 3.048 0.048 12 0 "[ . 1 . 2]" 1
237 1 23 ASN HA 1 23 ASN HB2 2.600 . 3.400 3.023 2.986 3.033 . 0 0 "[ . 1 . 2]" 1
238 1 23 ASN HA 1 23 ASN HB3 2.800 . 3.800 2.525 2.475 2.662 . 0 0 "[ . 1 . 2]" 1
239 1 23 ASN HA 1 24 GLY H 2.800 . 3.800 3.417 2.862 3.549 . 0 0 "[ . 1 . 2]" 1
240 1 23 ASN HB2 1 23 ASN HD21 2.500 . 3.300 2.245 2.178 2.381 . 0 0 "[ . 1 . 2]" 1
241 1 23 ASN HB2 1 23 ASN HD22 2.700 . 3.600 3.482 3.453 3.534 . 0 0 "[ . 1 . 2]" 1
242 1 23 ASN HB2 1 24 GLY H 3.100 . 4.300 2.965 2.414 4.175 . 0 0 "[ . 1 . 2]" 1
243 1 23 ASN HB2 1 25 GLN H 3.000 . 4.100 3.040 2.847 3.637 . 0 0 "[ . 1 . 2]" 1
244 1 23 ASN HB3 1 23 ASN HD21 2.700 . 3.600 3.466 3.422 3.516 . 0 0 "[ . 1 . 2]" 1
245 1 23 ASN HB3 1 23 ASN HD22 2.900 . 3.900 4.046 4.026 4.072 0.172 3 0 "[ . 1 . 2]" 1
246 1 23 ASN HB3 1 24 GLY H 3.400 . 4.900 3.803 3.224 4.422 . 0 0 "[ . 1 . 2]" 1
247 1 23 ASN HB3 1 25 GLN H 3.300 . 4.700 4.047 3.735 4.469 . 0 0 "[ . 1 . 2]" 1
248 1 24 GLY H 1 24 GLY HA2 2.300 . 3.000 2.452 2.318 2.590 . 0 0 "[ . 1 . 2]" 1
249 1 24 GLY H 1 24 GLY HA3 2.500 . 3.300 2.939 2.895 2.963 . 0 0 "[ . 1 . 2]" 1
250 1 24 GLY H 1 25 GLN H 2.400 . 3.100 2.003 1.680 2.428 0.020 3 0 "[ . 1 . 2]" 1
251 1 24 GLY HA2 1 25 GLN H 3.000 . 4.100 3.132 3.011 3.218 . 0 0 "[ . 1 . 2]" 1
252 1 24 GLY HA3 1 25 GLN H 3.100 . 4.300 3.374 3.277 3.450 . 0 0 "[ . 1 . 2]" 1
253 1 25 GLN H 1 25 GLN HA 2.100 . 2.700 2.877 2.785 2.904 0.204 13 0 "[ . 1 . 2]" 1
254 1 25 GLN H 1 25 GLN QB 2.200 . 2.800 2.282 2.099 2.710 . 0 0 "[ . 1 . 2]" 1
255 1 25 GLN H 1 25 GLN QG 2.900 . 3.900 3.217 1.884 3.927 0.027 12 0 "[ . 1 . 2]" 1
256 1 25 GLN HA 1 25 GLN QB 2.400 . 3.100 2.452 2.253 2.541 . 0 0 "[ . 1 . 2]" 1
257 1 25 GLN HA 1 25 GLN QG 3.100 . 4.300 2.348 2.020 2.753 . 0 0 "[ . 1 . 2]" 1
258 1 25 GLN HA 1 26 VAL H 2.000 . 2.500 2.146 2.096 2.225 . 0 0 "[ . 1 . 2]" 1
259 1 25 GLN QB 1 25 GLN HE21 2.800 . 3.800 2.888 1.917 3.706 . 0 0 "[ . 1 . 2]" 1
260 1 25 GLN QB 1 25 GLN HE22 3.300 . 4.600 3.641 3.129 4.250 . 0 0 "[ . 1 . 2]" 1
261 1 25 GLN QB 1 26 VAL H 2.400 . 3.100 3.283 2.870 3.881 0.781 12 3 "[- . * + . 2]" 1
262 1 25 GLN QB 1 38 TYR QD 2.800 . 3.800 2.877 2.504 3.765 . 0 0 "[ . 1 . 2]" 1
263 1 25 GLN QB 1 38 TYR QE 2.400 . 3.100 2.406 1.667 3.042 0.033 8 0 "[ . 1 . 2]" 1
264 1 25 GLN HE21 1 25 GLN QG 3.200 . 4.500 2.263 2.078 2.694 . 0 0 "[ . 1 . 2]" 1
265 1 25 GLN HE22 1 25 GLN QG 3.300 . 4.700 3.307 3.233 3.457 . 0 0 "[ . 1 . 2]" 1
266 1 25 GLN QG 1 26 VAL H 3.100 . 4.300 3.757 2.891 4.446 0.146 2 0 "[ . 1 . 2]" 1
267 1 25 GLN QG 1 38 TYR QD 3.400 . 4.900 3.790 2.142 4.927 0.027 4 0 "[ . 1 . 2]" 1
268 1 25 GLN QG 1 38 TYR QE 3.200 . 4.500 3.866 2.968 4.564 0.064 1 0 "[ . 1 . 2]" 1
269 1 26 VAL H 1 26 VAL HB 2.200 . 2.800 2.466 2.370 2.556 . 0 0 "[ . 1 . 2]" 1
270 1 26 VAL H 1 26 VAL QG 2.100 . 2.700 2.544 2.288 2.669 . 0 0 "[ . 1 . 2]" 1
271 1 26 VAL HA 1 26 VAL HB 2.600 . 3.500 2.602 2.531 2.638 . 0 0 "[ . 1 . 2]" 1
272 1 26 VAL HA 1 26 VAL QG 2.300 . 3.000 2.007 1.973 2.076 . 0 0 "[ . 1 . 2]" 1
273 1 26 VAL HA 1 27 PHE QD 3.100 . 4.300 3.274 3.102 3.478 . 0 0 "[ . 1 . 2]" 1
274 1 26 VAL HA 1 27 PHE QE 3.200 . 4.500 4.685 4.522 4.896 0.396 1 0 "[ . 1 . 2]" 1
275 1 26 VAL HB 1 27 PHE H 2.800 . 3.800 3.998 3.943 4.047 0.247 15 0 "[ . 1 . 2]" 1
276 1 26 VAL MG1 1 26 VAL MG2 1.900 . 2.400 2.000 1.940 2.080 . 0 0 "[ . 1 . 2]" 1
277 1 26 VAL QG 1 27 PHE H 2.600 . 3.000 2.140 2.027 2.224 . 0 0 "[ . 1 . 2]" 1
278 1 26 VAL QG 1 27 PHE HA 3.100 . 4.300 3.059 2.851 3.241 . 0 0 "[ . 1 . 2]" 1
279 1 26 VAL QG 1 28 PHE QD 3.100 . 3.800 3.618 3.571 3.695 . 0 0 "[ . 1 . 2]" 1
280 1 26 VAL QG 1 28 PHE QE 2.500 . 3.000 2.828 2.687 2.968 . 0 0 "[ . 1 . 2]" 1
281 1 27 PHE H 1 27 PHE HA 2.800 . 3.800 2.868 2.849 2.897 . 0 0 "[ . 1 . 2]" 1
282 1 27 PHE H 1 27 PHE QB 3.100 . 4.300 3.234 3.161 3.267 . 0 0 "[ . 1 . 2]" 1
283 1 27 PHE H 1 27 PHE QD 2.700 . 3.600 3.059 2.886 3.230 . 0 0 "[ . 1 . 2]" 1
284 1 27 PHE H 1 27 PHE QE 3.200 . 4.400 4.505 4.377 4.656 0.256 5 0 "[ . 1 . 2]" 1
285 1 27 PHE HA 1 27 PHE QB 2.400 . 3.100 2.190 2.183 2.197 . 0 0 "[ . 1 . 2]" 1
286 1 27 PHE HA 1 27 PHE QD 2.900 . 3.900 3.742 3.730 3.756 . 0 0 "[ . 1 . 2]" 1
287 1 27 PHE HA 1 27 PHE QE 3.400 . 4.900 5.651 5.636 5.671 0.771 5 20 [****+-**************] 1
288 1 27 PHE HA 1 28 PHE H 2.500 . 3.300 2.358 2.303 2.393 . 0 0 "[ . 1 . 2]" 1
289 1 27 PHE HA 1 28 PHE QD 2.600 . 3.500 3.911 3.313 4.017 0.517 11 2 "[ . -+ . 2]" 1
290 1 27 PHE HA 1 28 PHE QE 2.800 . 3.800 4.301 3.978 4.367 0.567 8 16 "[ **-* *+*** *** ****]" 1
291 1 27 PHE HA 1 38 TYR QD 3.000 . 4.100 4.381 3.826 4.633 0.533 14 4 "[* . *1 +. -2]" 1
292 1 27 PHE QB 1 27 PHE QD 2.600 . 3.400 2.126 2.121 2.135 . 0 0 "[ . 1 . 2]" 1
293 1 27 PHE QB 1 28 PHE H 2.700 . 3.600 2.449 2.342 2.542 . 0 0 "[ . 1 . 2]" 1
294 1 27 PHE QB 1 38 TYR QD 3.200 . 4.100 2.839 2.404 3.001 . 0 0 "[ . 1 . 2]" 1
295 1 27 PHE QB 1 38 TYR QE 3.100 . 4.300 3.324 2.850 3.589 . 0 0 "[ . 1 . 2]" 1
296 1 27 PHE QD 1 28 PHE H 2.800 . 3.800 3.241 3.085 3.338 . 0 0 "[ . 1 . 2]" 1
297 1 27 PHE QD 1 29 VAL QG 2.500 . 3.300 2.686 2.472 2.893 . 0 0 "[ . 1 . 2]" 1
298 1 27 PHE QD 1 36 THR HA 3.300 . 4.700 3.495 3.374 3.615 . 0 0 "[ . 1 . 2]" 1
299 1 27 PHE QD 1 36 THR HB 2.700 . 3.600 3.632 3.540 3.696 0.096 15 0 "[ . 1 . 2]" 1
300 1 27 PHE QD 1 36 THR MG 2.300 . 3.000 2.289 2.018 2.674 . 0 0 "[ . 1 . 2]" 1
301 1 27 PHE QD 1 37 THR H 3.200 . 4.500 3.542 3.441 3.696 . 0 0 "[ . 1 . 2]" 1
302 1 27 PHE QD 1 38 TYR QE 3.200 . 4.400 3.488 2.962 4.012 . 0 0 "[ . 1 . 2]" 1
303 1 27 PHE QE 1 28 PHE H 3.100 . 4.300 5.403 5.304 5.504 1.204 7 20 [******+***-*********] 1
304 1 27 PHE QE 1 29 VAL QG 2.300 . 3.000 2.084 1.691 2.327 0.109 11 0 "[ . 1 . 2]" 1
305 1 27 PHE QE 1 36 THR HA 3.200 . 4.400 4.400 4.337 4.461 0.061 10 0 "[ . 1 . 2]" 1
306 1 27 PHE QE 1 36 THR HB 3.000 . 4.200 4.257 4.140 4.350 0.150 10 0 "[ . 1 . 2]" 1
307 1 27 PHE QE 1 36 THR MG 2.400 . 3.100 2.085 1.953 2.209 . 0 0 "[ . 1 . 2]" 1
308 1 27 PHE QE 1 37 THR H 3.100 . 4.300 5.395 5.323 5.484 1.184 10 20 [*********+*-********] 1
309 1 27 PHE HZ 1 29 VAL QG 2.800 . 3.800 3.762 3.596 3.887 0.087 5 0 "[ . 1 . 2]" 1
310 1 28 PHE H 1 28 PHE HB2 2.900 . 4.000 2.752 2.709 2.791 . 0 0 "[ . 1 . 2]" 1
311 1 28 PHE H 1 28 PHE HB3 3.100 . 4.300 3.758 3.734 3.784 . 0 0 "[ . 1 . 2]" 1
312 1 28 PHE H 1 28 PHE QD 2.500 . 3.300 3.088 2.648 3.302 0.002 17 0 "[ . 1 . 2]" 1
313 1 28 PHE H 1 28 PHE QE 3.200 . 4.500 4.550 4.501 4.593 0.093 17 0 "[ . 1 . 2]" 1
314 1 28 PHE H 1 37 THR H 3.000 . 4.100 3.240 3.038 3.520 . 0 0 "[ . 1 . 2]" 1
315 1 28 PHE H 1 38 TYR HA 3.100 . 4.300 3.277 3.098 3.467 . 0 0 "[ . 1 . 2]" 1
316 1 28 PHE HA 1 28 PHE HB2 3.000 . 4.100 3.012 3.007 3.019 . 0 0 "[ . 1 . 2]" 1
317 1 28 PHE HA 1 28 PHE HB3 2.900 . 4.000 2.364 2.353 2.394 . 0 0 "[ . 1 . 2]" 1
318 1 28 PHE HA 1 28 PHE QD 2.600 . 3.500 2.557 2.349 2.900 . 0 0 "[ . 1 . 2]" 1
319 1 28 PHE HA 1 28 PHE QE 3.400 . 4.800 4.655 4.601 4.727 . 0 0 "[ . 1 . 2]" 1
320 1 28 PHE HA 1 29 VAL H 2.500 . 3.300 2.181 2.150 2.213 . 0 0 "[ . 1 . 2]" 1
321 1 28 PHE HA 1 29 VAL QG 3.100 . 4.300 3.173 2.933 3.308 . 0 0 "[ . 1 . 2]" 1
322 1 28 PHE HB2 1 28 PHE QD 2.400 . 3.100 2.283 2.257 2.383 . 0 0 "[ . 1 . 2]" 1
323 1 28 PHE HB2 1 28 PHE QD 2.300 . 3.000 2.149 2.083 2.264 . 0 0 "[ . 1 . 2]" 1
324 1 28 PHE HB2 1 37 THR MG 2.500 . 3.300 2.418 2.200 2.710 . 0 0 "[ . 1 . 2]" 1
325 1 28 PHE HB3 1 28 PHE QD 2.300 . 3.000 2.585 2.407 2.723 . 0 0 "[ . 1 . 2]" 1
326 1 28 PHE HB3 1 29 VAL H 3.100 . 4.300 3.199 3.074 3.315 . 0 0 "[ . 1 . 2]" 1
327 1 28 PHE HB3 1 37 THR MG 2.600 . 3.500 3.825 3.580 4.103 0.603 3 2 "[ + . 1 . -]" 1
328 1 28 PHE QD 1 29 VAL H 3.100 . 4.300 4.286 4.210 4.343 0.043 8 0 "[ . 1 . 2]" 1
329 1 28 PHE QD 1 39 LEU H 3.200 . 4.500 4.311 3.699 4.550 0.050 19 0 "[ . 1 . 2]" 1
330 1 28 PHE QD 1 40 ASP HB2 3.500 . 5.000 4.780 4.474 5.240 0.240 3 0 "[ . 1 . 2]" 1
331 1 28 PHE QD 1 41 PRO HD2 3.000 . 4.100 3.587 3.240 4.085 . 0 0 "[ . 1 . 2]" 1
332 1 28 PHE QD 1 41 PRO HD3 3.000 . 4.100 2.052 1.865 2.500 0.035 9 0 "[ . 1 . 2]" 1
333 1 28 PHE QE 1 40 ASP H 2.700 . 3.600 3.343 3.038 3.647 0.047 3 0 "[ . 1 . 2]" 1
334 1 28 PHE QE 1 40 ASP HA 2.600 . 3.500 2.181 1.920 2.578 . 0 0 "[ . 1 . 2]" 1
335 1 28 PHE QE 1 40 ASP HB2 2.700 . 3.600 3.041 2.687 3.876 0.276 3 0 "[ . 1 . 2]" 1
336 1 28 PHE QE 1 40 ASP HB3 2.900 . 3.900 4.259 3.737 4.488 0.588 18 8 "[ - *** **1 * . + 2]" 1
337 1 28 PHE QE 1 41 PRO HD2 3.200 . 4.500 4.196 3.897 4.519 0.019 10 0 "[ . 1 . 2]" 1
338 1 28 PHE QE 1 41 PRO HD3 3.100 . 4.300 3.206 2.859 3.690 . 0 0 "[ . 1 . 2]" 1
339 1 29 VAL H 1 29 VAL HB 2.700 . 3.600 3.598 3.541 3.635 0.035 19 0 "[ . 1 . 2]" 1
340 1 29 VAL H 1 29 VAL QG 2.700 . 3.600 1.993 1.803 2.141 . 0 0 "[ . 1 . 2]" 1
341 1 29 VAL HA 1 29 VAL HB 3.000 . 4.100 2.242 2.219 2.265 . 0 0 "[ . 1 . 2]" 1
342 1 29 VAL HA 1 29 VAL QG 2.500 . 3.300 2.564 2.508 2.619 . 0 0 "[ . 1 . 2]" 1
343 1 29 VAL HA 1 30 ASP H 2.400 . 3.100 2.083 2.048 2.112 . 0 0 "[ . 1 . 2]" 1
344 1 29 VAL HA 1 36 THR HA 2.300 . 3.000 2.294 2.210 2.415 . 0 0 "[ . 1 . 2]" 1
345 1 29 VAL HA 1 37 THR H 3.200 . 4.500 3.175 2.906 3.347 . 0 0 "[ . 1 . 2]" 1
346 1 29 VAL HB 1 29 VAL QG 2.200 . 2.800 1.871 1.855 1.887 . 0 0 "[ . 1 . 2]" 1
347 1 29 VAL HB 1 31 HIS HD2 3.100 . 4.300 5.911 5.623 6.064 1.764 5 20 [**-*+***************] 1
348 1 29 VAL HB 1 36 THR HA 3.500 . 5.000 2.323 2.032 2.554 . 0 0 "[ . 1 . 2]" 1
349 1 29 VAL MG1 1 29 VAL MG2 2.000 . 2.500 2.024 1.894 2.079 . 0 0 "[ . 1 . 2]" 1
350 1 29 VAL QG 1 30 ASP H 2.800 . 3.300 2.824 2.616 2.978 . 0 0 "[ . 1 . 2]" 1
351 1 29 VAL QG 1 30 ASP HA 3.500 . 5.100 3.572 3.460 3.718 . 0 0 "[ . 1 . 2]" 1
352 1 29 VAL QG 1 31 HIS H 3.100 . 4.300 3.649 3.214 4.178 . 0 0 "[ . 1 . 2]" 1
353 1 29 VAL QG 1 31 HIS HA 3.200 . 4.500 3.043 2.742 3.575 . 0 0 "[ . 1 . 2]" 1
354 1 29 VAL QG 1 31 HIS QB 3.200 . 4.500 3.842 3.518 4.196 . 0 0 "[ . 1 . 2]" 1
355 1 29 VAL QG 1 31 HIS HD2 3.300 . 3.600 3.032 2.745 3.227 . 0 0 "[ . 1 . 2]" 1
356 1 29 VAL QG 1 31 HIS HE1 2.900 . 3.100 3.010 2.934 3.060 . 0 0 "[ . 1 . 2]" 1
357 1 29 VAL QG 1 35 ARG H 3.500 . 4.900 3.342 2.849 3.658 . 0 0 "[ . 1 . 2]" 1
358 1 29 VAL QG 1 36 THR HA 2.800 . 3.800 3.231 3.025 3.373 . 0 0 "[ . 1 . 2]" 1
359 1 29 VAL QG 1 36 THR HB 3.100 . 4.300 4.352 4.261 4.462 0.162 17 0 "[ . 1 . 2]" 1
360 1 29 VAL QG 1 36 THR MG 2.200 . 2.800 2.219 2.060 2.440 . 0 0 "[ . 1 . 2]" 1
361 1 30 ASP H 1 30 ASP HA 3.000 . 4.100 2.873 2.856 2.887 . 0 0 "[ . 1 . 2]" 1
362 1 30 ASP H 1 30 ASP HB2 2.900 . 4.000 2.830 2.435 3.450 . 0 0 "[ . 1 . 2]" 1
363 1 30 ASP H 1 30 ASP HB3 2.700 . 3.600 2.358 2.124 2.649 . 0 0 "[ . 1 . 2]" 1
364 1 30 ASP H 1 31 HIS H 3.300 . 4.700 4.459 4.267 4.581 . 0 0 "[ . 1 . 2]" 1
365 1 30 ASP H 1 35 ARG H 2.900 . 4.000 2.934 2.656 3.292 . 0 0 "[ . 1 . 2]" 1
366 1 30 ASP H 1 36 THR HA 2.900 . 3.900 3.858 3.719 3.944 0.044 10 0 "[ . 1 . 2]" 1
367 1 30 ASP HA 1 30 ASP HB2 2.900 . 4.000 2.408 2.246 2.569 . 0 0 "[ . 1 . 2]" 1
368 1 30 ASP HA 1 30 ASP HB3 2.800 . 3.800 2.988 2.798 3.043 . 0 0 "[ . 1 . 2]" 1
369 1 30 ASP HA 1 31 HIS H 2.300 . 3.000 2.179 2.140 2.233 . 0 0 "[ . 1 . 2]" 1
370 1 30 ASP HB2 1 35 ARG H 3.200 . 4.500 4.089 3.302 4.627 0.127 10 0 "[ . 1 . 2]" 1
371 1 30 ASP HB3 1 35 ARG H 2.800 . 3.800 2.554 1.953 3.370 . 0 0 "[ . 1 . 2]" 1
372 1 31 HIS H 1 31 HIS HA 2.700 . 3.600 2.914 2.875 2.947 . 0 0 "[ . 1 . 2]" 1
373 1 31 HIS H 1 31 HIS QB 2.300 . 2.900 2.279 2.193 2.465 . 0 0 "[ . 1 . 2]" 1
374 1 31 HIS H 1 31 HIS HD2 2.900 . 3.900 3.374 3.145 3.663 . 0 0 "[ . 1 . 2]" 1
375 1 31 HIS H 1 32 ILE H 2.600 . 3.400 2.440 2.220 2.594 . 0 0 "[ . 1 . 2]" 1
376 1 31 HIS H 1 32 ILE MD 3.300 . 4.700 4.123 3.193 4.698 . 0 0 "[ . 1 . 2]" 1
377 1 31 HIS HA 1 31 HIS QB 2.200 . 2.800 2.459 2.405 2.486 . 0 0 "[ . 1 . 2]" 1
378 1 31 HIS HA 1 32 ILE H 3.000 . 4.100 3.224 2.947 3.358 . 0 0 "[ . 1 . 2]" 1
379 1 31 HIS HA 1 34 LYS H 3.100 . 4.300 3.432 2.853 3.711 . 0 0 "[ . 1 . 2]" 1
380 1 31 HIS HA 1 34 LYS HA 2.900 . 4.000 3.089 2.504 3.444 . 0 0 "[ . 1 . 2]" 1
381 1 31 HIS QB 1 31 HIS HD2 2.300 . 3.000 2.696 2.644 2.768 . 0 0 "[ . 1 . 2]" 1
382 1 31 HIS QB 1 32 ILE H 2.800 . 3.800 3.447 3.260 3.753 . 0 0 "[ . 1 . 2]" 1
383 1 31 HIS QB 1 32 ILE MD 3.100 . 4.300 3.818 2.940 4.403 0.103 16 0 "[ . 1 . 2]" 1
384 1 32 ILE H 1 32 ILE HA 2.600 . 3.400 2.914 2.815 2.948 . 0 0 "[ . 1 . 2]" 1
385 1 32 ILE H 1 32 ILE HB 2.300 . 3.000 2.677 2.485 2.809 . 0 0 "[ . 1 . 2]" 1
386 1 32 ILE H 1 32 ILE MD 2.800 . 3.800 3.320 2.764 3.805 0.005 17 0 "[ . 1 . 2]" 1
387 1 32 ILE H 1 32 ILE HG12 2.600 . 3.500 2.496 1.869 3.748 0.248 4 0 "[ . 1 . 2]" 1
388 1 32 ILE H 1 32 ILE HG13 2.600 . 3.400 3.171 2.119 3.667 0.267 12 0 "[ . 1 . 2]" 1
389 1 32 ILE H 1 32 ILE MG 2.500 . 3.300 3.814 3.756 3.861 0.561 10 14 "[** *.*-* + **** * **]" 1
390 1 32 ILE H 1 33 ASN H 2.400 . 3.100 2.377 2.206 2.707 . 0 0 "[ . 1 . 2]" 1
391 1 32 ILE H 1 34 LYS H 3.100 . 4.300 3.085 2.742 3.425 . 0 0 "[ . 1 . 2]" 1
392 1 32 ILE HA 1 32 ILE HG12 3.100 . 4.300 3.060 2.750 3.295 . 0 0 "[ . 1 . 2]" 1
393 1 32 ILE HA 1 32 ILE HG13 2.700 . 3.600 3.603 2.719 3.974 0.374 8 0 "[ . 1 . 2]" 1
394 1 32 ILE HA 1 32 ILE MG 2.300 . 2.900 2.249 2.104 2.382 . 0 0 "[ . 1 . 2]" 1
395 1 32 ILE HA 1 33 ASN H 2.800 . 3.800 3.409 3.375 3.447 . 0 0 "[ . 1 . 2]" 1
396 1 32 ILE HA 1 34 LYS H 2.200 . 2.800 2.251 2.238 2.269 . 0 0 "[ . 1 . 2]" 1
397 1 32 ILE HB 1 32 ILE MD 2.600 . 3.500 2.939 2.020 3.239 . 0 0 "[ . 1 . 2]" 1
398 1 32 ILE HB 1 32 ILE MG 2.100 . 2.600 2.099 2.081 2.129 . 0 0 "[ . 1 . 2]" 1
399 1 32 ILE HB 1 33 ASN H 2.500 . 3.300 2.292 2.114 2.532 . 0 0 "[ . 1 . 2]" 1
400 1 32 ILE HB 1 33 ASN HD21 3.300 . 4.700 3.157 2.669 4.130 . 0 0 "[ . 1 . 2]" 1
401 1 32 ILE HB 1 33 ASN HD22 3.200 . 4.500 3.339 2.752 3.905 . 0 0 "[ . 1 . 2]" 1
402 1 32 ILE MD 1 32 ILE HG13 2.400 . 3.100 2.095 2.080 2.130 . 0 0 "[ . 1 . 2]" 1
403 1 32 ILE HG12 1 33 ASN H 3.500 . 5.000 4.051 3.469 5.007 0.007 16 0 "[ . 1 . 2]" 1
404 1 32 ILE HG13 1 32 ILE MG 2.500 . 3.300 2.655 2.233 3.177 . 0 0 "[ . 1 . 2]" 1
405 1 32 ILE HG13 1 33 ASN H 3.300 . 4.600 4.268 3.811 4.819 0.219 3 0 "[ . 1 . 2]" 1
406 1 32 ILE MG 1 33 ASN H 2.700 . 3.600 3.508 3.262 3.663 0.063 19 0 "[ . 1 . 2]" 1
407 1 32 ILE MG 1 33 ASN HD21 3.100 . 4.300 3.843 2.790 4.307 0.007 13 0 "[ . 1 . 2]" 1
408 1 32 ILE MG 1 33 ASN HD22 2.700 . 3.600 3.608 3.009 4.203 0.603 5 1 "[ + 1 . 2]" 1
409 1 33 ASN H 1 33 ASN HB2 2.800 . 3.800 2.750 2.339 3.683 . 0 0 "[ . 1 . 2]" 1
410 1 33 ASN H 1 33 ASN HB3 2.800 . 3.800 3.593 3.276 3.736 . 0 0 "[ . 1 . 2]" 1
411 1 33 ASN H 1 33 ASN HD21 3.000 . 4.100 2.877 2.099 3.986 . 0 0 "[ . 1 . 2]" 1
412 1 33 ASN H 1 33 ASN HD22 3.100 . 4.300 3.759 3.194 4.185 . 0 0 "[ . 1 . 2]" 1
413 1 33 ASN H 1 34 LYS H 2.500 . 3.300 2.191 1.925 2.463 . 0 0 "[ . 1 . 2]" 1
414 1 33 ASN HB2 1 33 ASN HD21 2.700 . 3.600 2.441 2.108 3.520 . 0 0 "[ . 1 . 2]" 1
415 1 33 ASN HB2 1 33 ASN HD22 2.800 . 3.800 3.561 3.419 4.040 0.240 1 0 "[ . 1 . 2]" 1
416 1 33 ASN HB2 1 34 LYS H 3.200 . 4.500 3.502 2.849 4.297 . 0 0 "[ . 1 . 2]" 1
417 1 33 ASN HB3 1 33 ASN HD21 2.700 . 3.600 3.084 2.117 3.459 . 0 0 "[ . 1 . 2]" 1
418 1 33 ASN HB3 1 33 ASN HD22 2.700 . 3.600 3.851 3.427 4.027 0.427 4 0 "[ . 1 . 2]" 1
419 1 33 ASN HB3 1 34 LYS H 3.200 . 4.500 4.235 3.652 4.589 0.089 5 0 "[ . 1 . 2]" 1
420 1 34 LYS H 1 34 LYS HB2 2.900 . 4.000 3.479 3.090 3.993 . 0 0 "[ . 1 . 2]" 1
421 1 34 LYS H 1 34 LYS HB3 2.900 . 4.000 3.996 3.043 4.150 0.150 10 0 "[ . 1 . 2]" 1
422 1 34 LYS H 1 34 LYS QD 3.000 . 4.100 3.302 2.449 4.188 0.088 3 0 "[ . 1 . 2]" 1
423 1 34 LYS H 1 34 LYS QG 2.900 . 3.900 3.269 2.551 4.018 0.118 12 0 "[ . 1 . 2]" 1
424 1 34 LYS H 1 35 ARG H 2.000 . 2.500 2.890 2.507 3.409 0.909 5 3 "[ * + - 1 . 2]" 1
425 1 34 LYS HA 1 34 LYS HB2 2.500 . 3.300 2.933 2.521 3.020 . 0 0 "[ . 1 . 2]" 1
426 1 34 LYS HA 1 34 LYS HB3 2.700 . 3.600 2.581 2.222 2.893 . 0 0 "[ . 1 . 2]" 1
427 1 34 LYS HA 1 34 LYS QD 2.700 . 3.600 2.911 1.771 3.716 0.116 2 0 "[ . 1 . 2]" 1
428 1 34 LYS HA 1 34 LYS QG 2.600 . 3.500 2.518 1.990 3.426 . 0 0 "[ . 1 . 2]" 1
429 1 34 LYS HA 1 35 ARG H 2.400 . 3.100 2.551 2.344 2.795 . 0 0 "[ . 1 . 2]" 1
430 1 34 LYS HB2 1 35 ARG H 3.100 . 4.300 4.475 4.236 4.613 0.313 14 0 "[ . 1 . 2]" 1
431 1 35 ARG H 1 35 ARG HB2 3.000 . 4.100 3.287 2.596 3.762 . 0 0 "[ . 1 . 2]" 1
432 1 35 ARG H 1 35 ARG HB3 3.000 . 4.100 3.694 3.337 3.842 . 0 0 "[ . 1 . 2]" 1
433 1 35 ARG H 1 35 ARG QD 3.300 . 4.700 3.715 2.712 4.323 . 0 0 "[ . 1 . 2]" 1
434 1 35 ARG H 1 35 ARG QG 2.700 . 3.600 2.120 1.791 2.588 0.009 10 0 "[ . 1 . 2]" 1
435 1 35 ARG HA 1 35 ARG HB2 3.000 . 4.100 2.839 2.545 3.011 . 0 0 "[ . 1 . 2]" 1
436 1 35 ARG HA 1 35 ARG QG 3.300 . 4.700 3.034 2.552 3.369 . 0 0 "[ . 1 . 2]" 1
437 1 35 ARG HB2 1 36 THR H 2.600 . 3.500 3.658 2.979 3.935 0.435 4 0 "[ . 1 . 2]" 1
438 1 35 ARG HB3 1 36 THR H 2.800 . 3.800 3.632 3.023 3.888 0.088 12 0 "[ . 1 . 2]" 1
439 1 36 THR H 1 36 THR HA 2.900 . 3.900 2.944 2.903 2.965 . 0 0 "[ . 1 . 2]" 1
440 1 36 THR H 1 36 THR HB 2.900 . 3.900 3.403 3.313 3.513 . 0 0 "[ . 1 . 2]" 1
441 1 36 THR H 1 36 THR MG 2.600 . 3.400 3.378 3.097 3.465 0.065 7 0 "[ . 1 . 2]" 1
442 1 36 THR HA 1 36 THR HB 2.300 . 2.900 2.747 2.678 2.792 . 0 0 "[ . 1 . 2]" 1
443 1 36 THR HA 1 36 THR MG 2.200 . 2.800 2.102 1.953 2.215 . 0 0 "[ . 1 . 2]" 1
444 1 36 THR HA 1 37 THR H 2.400 . 3.100 2.184 2.164 2.210 . 0 0 "[ . 1 . 2]" 1
445 1 36 THR HA 1 37 THR MG 2.900 . 4.000 3.735 3.437 4.012 0.012 12 0 "[ . 1 . 2]" 1
446 1 36 THR HB 1 36 THR MG 2.100 . 2.700 2.114 2.084 2.132 . 0 0 "[ . 1 . 2]" 1
447 1 36 THR HB 1 37 THR H 2.700 . 3.600 3.659 3.434 3.754 0.154 6 0 "[ . 1 . 2]" 1
448 1 36 THR MG 1 37 THR H 2.700 . 3.600 3.558 3.422 3.649 0.049 4 0 "[ . 1 . 2]" 1
449 1 36 THR MG 1 38 TYR H 3.400 . 4.900 6.035 5.987 6.094 1.194 12 20 [*******-***+********] 1
450 1 36 THR MG 1 38 TYR QE 3.500 . 5.100 4.597 3.894 4.999 . 0 0 "[ . 1 . 2]" 1
451 1 37 THR H 1 37 THR HB 3.100 . 4.300 3.292 3.096 3.474 . 0 0 "[ . 1 . 2]" 1
452 1 37 THR H 1 37 THR MG 2.400 . 3.100 1.986 1.847 2.200 . 0 0 "[ . 1 . 2]" 1
453 1 37 THR HA 1 37 THR MG 2.500 . 3.300 3.194 3.159 3.210 . 0 0 "[ . 1 . 2]" 1
454 1 37 THR HA 1 38 TYR H 2.600 . 3.400 2.174 2.142 2.201 . 0 0 "[ . 1 . 2]" 1
455 1 37 THR HA 1 38 TYR QD 3.300 . 4.700 3.442 3.168 3.824 . 0 0 "[ . 1 . 2]" 1
456 1 37 THR HA 1 39 LEU H 3.100 . 4.300 3.610 3.460 3.804 . 0 0 "[ . 1 . 2]" 1
457 1 37 THR HB 1 37 THR MG 2.200 . 2.800 2.093 2.087 2.126 . 0 0 "[ . 1 . 2]" 1
458 1 37 THR MG 1 38 TYR H 2.600 . 3.500 4.034 3.787 4.179 0.679 20 14 "[ ** ****- **** **+]" 1
459 1 38 TYR H 1 38 TYR HA 3.000 . 4.100 2.896 2.853 2.914 . 0 0 "[ . 1 . 2]" 1
460 1 38 TYR H 1 38 TYR HB2 2.800 . 3.800 2.270 2.191 2.358 . 0 0 "[ . 1 . 2]" 1
461 1 38 TYR H 1 38 TYR HB3 2.700 . 3.600 3.549 3.497 3.608 0.008 11 0 "[ . 1 . 2]" 1
462 1 38 TYR H 1 38 TYR QD 2.600 . 3.400 2.450 2.222 2.656 . 0 0 "[ . 1 . 2]" 1
463 1 38 TYR H 1 38 TYR QE 3.400 . 4.800 4.726 4.518 4.836 0.036 7 0 "[ . 1 . 2]" 1
464 1 38 TYR H 1 39 LEU H 2.600 . 3.400 2.412 2.281 2.601 . 0 0 "[ . 1 . 2]" 1
465 1 38 TYR HA 1 39 LEU H 3.300 . 4.700 3.311 3.140 3.460 . 0 0 "[ . 1 . 2]" 1
466 1 38 TYR HB2 1 38 TYR QD 2.300 . 3.000 2.534 2.361 2.680 . 0 0 "[ . 1 . 2]" 1
467 1 38 TYR HB2 1 38 TYR QE 3.300 . 4.600 4.452 4.407 4.485 . 0 0 "[ . 1 . 2]" 1
468 1 38 TYR HB2 1 39 LEU H 3.500 . 5.100 3.457 3.019 3.840 . 0 0 "[ . 1 . 2]" 1
469 1 38 TYR HB3 1 38 TYR QD 2.400 . 3.100 2.315 2.272 2.440 . 0 0 "[ . 1 . 2]" 1
470 1 38 TYR HB3 1 38 TYR QE 3.300 . 4.600 4.395 4.378 4.432 . 0 0 "[ . 1 . 2]" 1
471 1 38 TYR HB3 1 39 LEU H 3.300 . 4.600 4.012 3.645 4.230 . 0 0 "[ . 1 . 2]" 1
472 1 39 LEU H 1 39 LEU HA 2.700 . 3.600 2.937 2.887 2.948 . 0 0 "[ . 1 . 2]" 1
473 1 39 LEU H 1 39 LEU QB 2.200 . 2.800 2.374 2.141 2.498 . 0 0 "[ . 1 . 2]" 1
474 1 39 LEU H 1 39 LEU MD1 2.900 . 4.000 4.365 4.020 4.507 0.507 1 2 "[+- . 1 . 2]" 1
475 1 39 LEU H 1 39 LEU MD2 2.900 . 4.000 3.747 3.254 4.436 0.436 19 0 "[ . 1 . 2]" 1
476 1 39 LEU H 1 39 LEU HG 2.500 . 3.300 4.641 4.434 4.875 1.575 8 20 [*******+**********-*] 1
477 1 39 LEU HA 1 39 LEU QB 2.400 . 3.100 2.505 2.415 2.540 . 0 0 "[ . 1 . 2]" 1
478 1 39 LEU HA 1 39 LEU MD1 2.500 . 3.300 2.615 1.655 3.193 0.045 8 0 "[ . 1 . 2]" 1
479 1 39 LEU HA 1 39 LEU MD2 2.400 . 3.100 2.423 1.702 3.488 0.388 11 0 "[ . 1 . 2]" 1
480 1 39 LEU HA 1 39 LEU HG 2.700 . 3.600 3.237 2.106 3.615 0.015 15 0 "[ . 1 . 2]" 1
481 1 39 LEU HA 1 40 ASP H 2.000 . 2.500 2.390 2.257 2.520 0.020 8 0 "[ . 1 . 2]" 1
482 1 39 LEU QB 1 39 LEU MD1 2.300 . 2.900 2.148 1.884 2.640 . 0 0 "[ . 1 . 2]" 1
483 1 39 LEU QB 1 39 LEU MD2 2.200 . 2.800 2.229 1.855 2.557 . 0 0 "[ . 1 . 2]" 1
484 1 39 LEU QB 1 40 ASP H 2.500 . 3.300 2.894 2.562 3.227 . 0 0 "[ . 1 . 2]" 1
485 1 39 LEU MD1 1 40 ASP H 2.600 . 3.500 2.296 1.651 3.762 0.262 19 0 "[ . 1 . 2]" 1
486 1 39 LEU MD2 1 40 ASP H 2.700 . 3.600 3.047 1.800 3.785 0.185 8 0 "[ . 1 . 2]" 1
487 1 39 LEU HG 1 40 ASP H 2.900 . 4.000 3.468 1.903 4.126 0.126 3 0 "[ . 1 . 2]" 1
488 1 40 ASP H 1 40 ASP HA 2.700 . 3.600 2.848 2.793 2.884 . 0 0 "[ . 1 . 2]" 1
489 1 40 ASP H 1 40 ASP HB2 2.300 . 2.900 2.505 2.106 2.862 . 0 0 "[ . 1 . 2]" 1
490 1 40 ASP H 1 40 ASP HB3 2.300 . 3.000 2.617 2.261 3.395 0.395 3 0 "[ . 1 . 2]" 1
491 1 40 ASP H 1 41 PRO HD2 3.400 . 4.900 5.317 4.983 5.553 0.653 17 8 "[ * . * **** .-+ 2]" 1
492 1 40 ASP H 1 41 PRO HD3 3.200 . 4.500 4.405 4.229 4.565 0.065 19 0 "[ . 1 . 2]" 1
493 1 40 ASP HA 1 40 ASP HB3 3.000 . 4.100 2.990 2.604 3.029 . 0 0 "[ . 1 . 2]" 1
494 1 40 ASP HA 1 41 PRO QB 3.200 . 4.500 4.606 4.454 4.694 0.194 3 0 "[ . 1 . 2]" 1
495 1 40 ASP HA 1 41 PRO HD2 2.600 . 3.500 2.637 2.225 2.979 . 0 0 "[ . 1 . 2]" 1
496 1 40 ASP HA 1 41 PRO HD3 2.700 . 3.600 1.849 1.723 2.100 0.077 17 0 "[ . 1 . 2]" 1
497 1 40 ASP HA 1 41 PRO HG2 3.400 . 4.900 4.391 4.334 4.478 . 0 0 "[ . 1 . 2]" 1
498 1 40 ASP HB2 1 43 LEU QD 3.000 . 4.100 3.446 2.910 4.203 0.103 15 0 "[ . 1 . 2]" 1
499 1 40 ASP HB3 1 43 LEU QD 2.800 . 3.700 2.308 1.813 3.837 0.187 4 0 "[ . 1 . 2]" 1
500 1 41 PRO HA 1 41 PRO QB 2.400 . 3.100 2.182 2.166 2.203 . 0 0 "[ . 1 . 2]" 1
501 1 41 PRO HA 1 41 PRO HD3 3.600 . 5.200 3.917 3.723 4.017 . 0 0 "[ . 1 . 2]" 1
502 1 41 PRO HA 1 41 PRO HG2 3.400 . 4.800 4.005 3.906 4.098 . 0 0 "[ . 1 . 2]" 1
503 1 41 PRO HA 1 42 ARG H 3.000 . 4.100 3.165 2.696 3.482 . 0 0 "[ . 1 . 2]" 1
504 1 41 PRO HA 1 43 LEU H 3.100 . 4.300 3.676 3.205 4.418 0.118 12 0 "[ . 1 . 2]" 1
505 1 41 PRO HA 1 44 ALA H 3.000 . 4.100 4.861 4.251 5.222 1.122 1 18 "[+-*******1****** ***]" 1
506 1 41 PRO HA 1 45 PHE QD 3.300 . 4.700 2.390 1.823 3.860 0.077 19 0 "[ . 1 . 2]" 1
507 1 41 PRO QB 1 41 PRO HD2 3.600 . 4.300 3.160 2.857 3.509 . 0 0 "[ . 1 . 2]" 1
508 1 41 PRO QB 1 41 PRO HD3 3.400 . 4.800 3.400 3.066 3.550 . 0 0 "[ . 1 . 2]" 1
509 1 41 PRO QB 1 45 PHE QD 3.000 . 4.100 3.586 2.728 4.206 0.106 14 0 "[ . 1 . 2]" 1
510 1 41 PRO HD2 1 42 ARG H 3.100 . 4.300 3.081 2.508 4.327 0.027 15 0 "[ . 1 . 2]" 1
511 1 41 PRO HD3 1 42 ARG H 3.300 . 4.700 4.066 3.741 5.047 0.347 15 0 "[ . 1 . 2]" 1
512 1 42 ARG H 1 43 LEU H 2.400 . 3.100 2.291 1.809 3.171 0.071 15 0 "[ . 1 . 2]" 1
513 1 43 LEU H 1 43 LEU HA 2.600 . 3.400 2.840 2.740 2.935 . 0 0 "[ . 1 . 2]" 1
514 1 43 LEU H 1 43 LEU HB2 2.500 . 3.300 2.455 2.208 2.813 . 0 0 "[ . 1 . 2]" 1
515 1 43 LEU H 1 43 LEU HB3 2.500 . 3.300 3.584 3.484 3.746 0.446 3 0 "[ . 1 . 2]" 1
516 1 43 LEU H 1 43 LEU QD 2.700 . 3.600 2.850 1.754 3.331 0.046 16 0 "[ . 1 . 2]" 1
517 1 43 LEU H 1 43 LEU HG 2.500 . 3.300 2.689 1.947 3.569 0.269 16 0 "[ . 1 . 2]" 1
518 1 43 LEU H 1 44 ALA H 2.500 . 3.300 3.163 2.809 3.387 0.087 15 0 "[ . 1 . 2]" 1
519 1 43 LEU HA 1 43 LEU HB2 2.800 . 3.800 3.006 2.983 3.019 . 0 0 "[ . 1 . 2]" 1
520 1 43 LEU HA 1 43 LEU HB3 2.600 . 3.400 2.493 2.312 2.606 . 0 0 "[ . 1 . 2]" 1
521 1 43 LEU HA 1 43 LEU QD 2.700 . 2.800 2.202 1.879 2.698 . 0 0 "[ . 1 . 2]" 1
522 1 43 LEU HA 1 43 LEU HG 2.800 . 3.800 3.105 2.731 3.758 . 0 0 "[ . 1 . 2]" 1
523 1 43 LEU HA 1 44 ALA H 2.500 . 3.300 3.532 3.473 3.568 0.268 9 0 "[ . 1 . 2]" 1
524 1 43 LEU HB2 1 43 LEU QD 2.600 . 3.100 2.194 1.931 2.580 . 0 0 "[ . 1 . 2]" 1
525 1 43 LEU HB2 1 44 ALA H 2.800 . 3.800 1.927 1.742 2.135 0.058 17 0 "[ . 1 . 2]" 1
526 1 43 LEU HB2 1 45 PHE H 3.300 . 4.700 3.875 3.497 4.438 . 0 0 "[ . 1 . 2]" 1
527 1 43 LEU HB2 1 45 PHE QD 2.900 . 4.000 3.621 3.085 4.128 0.128 10 0 "[ . 1 . 2]" 1
528 1 43 LEU HB2 1 45 PHE QE 3.400 . 4.900 3.952 2.493 4.989 0.089 3 0 "[ . 1 . 2]" 1
529 1 43 LEU HB3 1 43 LEU QD 2.400 . 2.900 2.086 1.924 2.527 . 0 0 "[ . 1 . 2]" 1
530 1 43 LEU HB3 1 44 ALA H 3.000 . 4.100 2.636 2.170 3.232 . 0 0 "[ . 1 . 2]" 1
531 1 43 LEU MD1 1 43 LEU MD2 1.900 . 2.300 2.028 1.887 2.088 . 0 0 "[ . 1 . 2]" 1
532 1 43 LEU QD 1 44 ALA H 3.000 . 4.100 3.456 2.911 3.719 . 0 0 "[ . 1 . 2]" 1
533 1 43 LEU QD 1 45 PHE QE 3.200 . 4.500 4.144 2.639 4.473 . 0 0 "[ . 1 . 2]" 1
534 1 43 LEU HG 1 44 ALA H 2.800 . 3.800 4.216 3.731 4.433 0.633 2 5 "[ + . - 1 *.* *]" 1
535 1 44 ALA H 1 44 ALA HA 2.700 . 3.600 2.924 2.888 2.943 . 0 0 "[ . 1 . 2]" 1
536 1 44 ALA H 1 44 ALA MB 2.100 . 2.600 2.285 2.162 2.386 . 0 0 "[ . 1 . 2]" 1
537 1 44 ALA H 1 45 PHE H 2.900 . 3.900 2.453 2.258 2.762 . 0 0 "[ . 1 . 2]" 1
538 1 44 ALA HA 1 44 ALA MB 1.900 . 2.400 2.107 2.084 2.127 . 0 0 "[ . 1 . 2]" 1
539 1 44 ALA HA 1 45 PHE H 2.400 . 3.100 3.143 2.861 3.230 0.130 10 0 "[ . 1 . 2]" 1
540 1 44 ALA MB 1 45 PHE H 2.500 . 3.300 3.412 3.284 3.598 0.298 14 0 "[ . 1 . 2]" 1
541 1 44 ALA MB 1 45 PHE QD 2.800 . 3.800 3.629 3.207 3.873 0.073 18 0 "[ . 1 . 2]" 1
542 1 44 ALA MB 1 45 PHE QE 3.000 . 4.100 3.777 3.228 4.116 0.016 20 0 "[ . 1 . 2]" 1
543 1 45 PHE H 1 45 PHE HA 2.900 . 3.900 2.933 2.911 2.947 . 0 0 "[ . 1 . 2]" 1
544 1 45 PHE H 1 45 PHE HB2 2.900 . 3.900 2.614 2.372 3.177 . 0 0 "[ . 1 . 2]" 1
545 1 45 PHE H 1 45 PHE HB3 2.600 . 3.400 3.701 3.610 3.805 0.405 13 0 "[ . 1 . 2]" 1
546 1 45 PHE H 1 45 PHE QD 3.000 . 4.200 2.570 2.115 3.383 . 0 0 "[ . 1 . 2]" 1
547 1 45 PHE H 1 46 THR H 3.100 . 4.300 2.943 1.963 4.362 0.062 13 0 "[ . 1 . 2]" 1
548 1 45 PHE HA 1 45 PHE QD 2.800 . 3.800 2.969 2.143 3.230 . 0 0 "[ . 1 . 2]" 1
549 1 45 PHE HA 1 46 THR H 2.500 . 3.300 2.869 2.114 3.519 0.219 14 0 "[ . 1 . 2]" 1
550 1 45 PHE HB2 1 45 PHE QD 2.400 . 3.100 2.421 2.264 2.616 . 0 0 "[ . 1 . 2]" 1
551 1 45 PHE HB2 1 46 THR H 3.200 . 4.500 3.804 2.000 4.526 0.026 3 0 "[ . 1 . 2]" 1
552 1 45 PHE HB3 1 45 PHE QD 2.500 . 3.300 2.388 2.271 2.709 . 0 0 "[ . 1 . 2]" 1
553 1 45 PHE HB3 1 46 THR H 3.400 . 4.800 4.086 2.315 4.585 . 0 0 "[ . 1 . 2]" 1
554 1 45 PHE QD 1 46 THR H 3.500 . 5.000 4.537 4.030 4.946 . 0 0 "[ . 1 . 2]" 1
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