NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394957 |
1rjt   |
6038 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rjt
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 773
_Distance_constraint_stats_list.Viol_count 1011
_Distance_constraint_stats_list.Viol_total 4996.484
_Distance_constraint_stats_list.Viol_max 9.464
_Distance_constraint_stats_list.Viol_rms 0.3981
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0646
_Distance_constraint_stats_list.Viol_average_violations_only 0.4942
_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 9 CYS 2.441 0.878 8 2 "[ . + -]"
1 10 LEU 0.822 0.193 9 0 "[ . 1]"
1 11 CYS 0.587 0.188 7 0 "[ . 1]"
1 12 ILE 8.300 1.707 10 3 "[*- . +]"
1 13 GLY 3.791 0.548 2 1 "[ + . 1]"
1 14 PRO 14.296 1.707 10 5 "[*- . **+]"
1 15 GLY 4.709 1.483 8 2 "[ . + -]"
1 16 VAL 3.485 0.430 4 0 "[ . 1]"
1 17 LYS 2.427 0.430 4 0 "[ . 1]"
1 18 ALA 0.905 0.243 7 0 "[ . 1]"
1 19 VAL 6.561 0.663 4 1 "[ +. 1]"
1 20 LYS 8.647 0.663 4 1 "[ +. 1]"
1 21 VAL 7.190 1.197 4 5 "[- *+* *1]"
1 22 ALA 7.514 1.197 4 5 "[- *+* *1]"
1 23 ASP 1.729 0.467 5 0 "[ . 1]"
1 24 ILE 18.517 0.915 6 9 "[-** *+****]"
1 25 GLU 34.325 2.971 1 10 [+********-]
1 26 LYS 29.337 1.691 6 9 "[ ***-+****]"
1 27 ALA 87.117 9.464 3 10 [**+*-*****]
1 28 SER 57.063 2.488 3 10 [**+*******]
1 29 ILE 16.767 2.544 8 10 [****-**+**]
1 30 MET 91.044 3.654 3 10 [**+***-***]
1 31 TYR 2.325 0.971 6 2 "[ .+ - 1]"
1 32 PRO 6.583 0.823 7 4 "[ .*+- *]"
1 33 SER 81.906 9.464 3 10 [**+****-**]
1 34 ASN 5.227 1.164 5 2 "[ - + 1]"
1 35 ASN 3.563 0.878 8 1 "[ . + 1]"
1 36 CYS 7.479 1.164 5 2 "[ - + 1]"
1 37 ASP 6.345 0.823 8 4 "[ .-*+ *]"
1 38 LYS 5.549 0.878 8 3 "[ *-. + 1]"
1 39 ILE 8.470 0.823 8 6 "[ **.-*+ *]"
1 40 GLU 89.499 3.654 3 10 [**+***-***]
1 41 VAL 33.106 3.754 7 7 "[****.*+ -1]"
1 42 ILE 54.916 2.488 3 10 [**+*******]
1 43 ILE 24.767 2.544 8 7 "[*** * *+-1]"
1 44 THR 75.809 2.971 1 10 [+*******-*]
1 45 LEU 17.839 1.986 9 8 "[ ** ***-+*]"
1 46 LYS 8.620 0.915 1 2 "[+ - 1]"
1 49 LYS 3.290 0.915 1 3 "[+ . -*]"
1 50 GLY 5.554 1.986 9 2 "[ - +1]"
1 51 GLN 5.618 1.079 9 2 "[- . +1]"
1 52 ARG 7.612 0.612 9 3 "[- . +*]"
1 53 CYS 3.771 0.414 2 0 "[ . 1]"
1 54 LEU 28.152 3.754 7 6 "[** *.*+ -1]"
1 60 GLN 5.033 0.637 8 1 "[ . + 1]"
1 61 ALA 3.853 0.407 2 0 "[ . 1]"
1 62 ARG 26.114 1.458 3 10 [**+*******]
1 63 LEU 19.626 1.659 6 10 [*****+*-**]
1 64 ILE 4.538 0.637 8 1 "[ . + 1]"
1 65 ILE 11.175 0.801 3 2 "[ -+ . 1]"
1 66 LYS 21.984 1.458 3 10 [**+-******]
1 67 LYS 26.491 1.659 6 10 [*****+-***]
1 68 VAL 8.199 0.487 8 0 "[ . 1]"
1 69 GLU 10.506 0.801 3 2 "[ -+ . 1]"
1 70 ARG 1.124 0.212 10 0 "[ . 1]"
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 9 CYS HB2 1 37 ASP H 3.500 . 5.100 5.022 4.465 5.748 0.648 10 1 "[ . +]" 1
2 1 9 CYS HB2 1 40 GLU QG 2.900 . 6.000 4.807 4.029 5.649 . 0 0 "[ . 1]" 1
3 1 9 CYS HB3 1 33 SER HB2 2.400 . 3.100 2.613 1.970 3.194 0.094 7 0 "[ . 1]" 1
4 1 9 CYS HB3 1 33 SER QB 2.300 . 3.000 2.643 1.971 3.320 0.320 7 0 "[ . 1]" 1
5 1 9 CYS HB3 1 34 ASN H 3.900 . 5.800 4.921 3.662 5.233 . 0 0 "[ . 1]" 1
6 1 9 CYS HB3 1 38 LYS H 3.800 . 5.600 5.500 4.955 6.478 0.878 8 1 "[ . + 1]" 1
7 1 9 CYS HB3 1 36 CYS QB 3.900 . 5.800 3.075 1.931 3.748 0.069 2 0 "[ . 1]" 1
8 1 9 CYS HB3 1 37 ASP H 3.300 . 4.700 3.509 2.915 4.111 . 0 0 "[ . 1]" 1
9 1 9 CYS HB3 1 38 LYS H 3.900 . 5.800 4.141 3.849 4.366 . 0 0 "[ . 1]" 1
10 1 10 LEU H 1 11 CYS H 3.200 . 4.500 4.080 3.125 4.533 0.033 6 0 "[ . 1]" 1
11 1 10 LEU HA 1 10 LEU HG 3.100 . 4.300 2.621 1.891 3.483 0.009 9 0 "[ . 1]" 1
12 1 10 LEU QB 1 10 LEU QD 2.500 . 3.300 1.933 1.905 1.956 . 0 0 "[ . 1]" 1
13 1 10 LEU QB 1 11 CYS H 3.900 . 5.800 3.460 3.121 3.847 . 0 0 "[ . 1]" 1
14 1 10 LEU QB 1 12 ILE MG 2.300 . 6.000 5.480 3.805 6.193 0.193 9 0 "[ . 1]" 1
15 1 10 LEU QB 1 12 ILE MG 1.700 . 6.000 5.400 3.801 6.066 0.066 9 0 "[ . 1]" 1
16 1 10 LEU HG 1 12 ILE H 3.500 . 5.000 4.875 4.314 5.108 0.108 10 0 "[ . 1]" 1
17 1 10 LEU HG 1 12 ILE H 2.900 . 6.000 4.447 4.014 4.731 . 0 0 "[ . 1]" 1
18 1 10 LEU HG 1 12 ILE MG 1.900 . 6.000 4.341 3.420 5.103 . 0 0 "[ . 1]" 1
19 1 10 LEU HG 1 13 GLY HA3 2.900 . 6.000 4.327 4.048 4.612 . 0 0 "[ . 1]" 1
20 1 11 CYS H 1 12 ILE HB 2.300 . 6.000 4.464 3.846 4.847 . 0 0 "[ . 1]" 1
21 1 11 CYS H 1 11 CYS HB2 3.700 . 5.400 3.072 2.411 4.011 . 0 0 "[ . 1]" 1
22 1 11 CYS H 1 11 CYS HB2 3.500 . 5.100 2.900 2.395 3.720 . 0 0 "[ . 1]" 1
23 1 11 CYS H 1 11 CYS HB3 3.500 . 5.100 3.321 2.588 3.899 . 0 0 "[ . 1]" 1
24 1 11 CYS H 1 12 ILE HB 3.400 . 4.900 4.693 4.280 4.930 0.030 9 0 "[ . 1]" 1
25 1 11 CYS HB2 1 33 SER HB2 2.800 . 6.000 5.161 4.889 6.122 0.122 8 0 "[ . 1]" 1
26 1 11 CYS HB2 1 12 ILE H 3.600 . 5.200 3.605 2.072 4.430 . 0 0 "[ . 1]" 1
27 1 11 CYS HB2 1 52 ARG HD3 2.400 . 6.000 5.442 4.602 5.725 . 0 0 "[ . 1]" 1
28 1 11 CYS HB2 1 42 ILE HB 2.300 . 6.000 5.039 3.545 5.740 . 0 0 "[ . 1]" 1
29 1 11 CYS HB2 1 54 LEU HA 3.100 . 4.300 3.864 3.344 4.254 . 0 0 "[ . 1]" 1
30 1 11 CYS HB2 1 40 GLU QB 3.400 . 6.000 3.859 2.435 5.212 . 0 0 "[ . 1]" 1
31 1 11 CYS HB3 1 12 ILE H 5.000 . 5.000 3.416 1.780 4.331 0.020 9 0 "[ . 1]" 1
32 1 11 CYS HB3 1 12 ILE HB 4.000 . 6.000 5.576 4.821 6.188 0.188 7 0 "[ . 1]" 1
33 1 11 CYS HB3 1 54 LEU HA 4.000 . 6.000 4.912 3.537 5.830 . 0 0 "[ . 1]" 1
34 1 11 CYS HB3 1 53 CYS HB2 3.900 . 5.800 3.892 2.320 5.739 . 0 0 "[ . 1]" 1
35 1 12 ILE H 1 12 ILE HA 3.300 . 4.700 2.336 1.960 2.782 . 0 0 "[ . 1]" 1
36 1 12 ILE H 1 12 ILE HB 2.600 . 3.500 3.296 2.681 3.618 0.118 8 0 "[ . 1]" 1
37 1 12 ILE H 1 12 ILE HB 2.700 . 3.600 3.159 2.619 3.430 . 0 0 "[ . 1]" 1
38 1 12 ILE H 1 12 ILE QG 3.100 . 4.300 4.071 2.900 4.408 0.108 10 0 "[ . 1]" 1
39 1 12 ILE H 1 12 ILE MG 2.800 . 3.800 2.583 2.101 4.075 0.275 2 0 "[ . 1]" 1
40 1 12 ILE H 1 12 ILE MG 3.700 . 5.400 2.391 1.980 2.778 0.020 7 0 "[ . 1]" 1
41 1 12 ILE H 1 14 PRO QB 4.200 . 6.000 4.523 4.180 4.915 . 0 0 "[ . 1]" 1
42 1 12 ILE H 1 14 PRO HA 2.300 . 6.000 4.642 4.402 4.946 . 0 0 "[ . 1]" 1
43 1 12 ILE H 1 14 PRO QB 3.500 . 5.000 5.277 4.643 6.707 1.707 10 2 "[ - . +]" 1
44 1 12 ILE H 1 14 PRO QD 3.400 . 4.900 3.597 2.931 4.432 . 0 0 "[ . 1]" 1
45 1 12 ILE H 1 14 PRO QG 3.800 . 5.600 4.445 3.925 5.420 . 0 0 "[ . 1]" 1
46 1 12 ILE HA 1 12 ILE HB 2.600 . 3.500 2.527 2.378 3.016 . 0 0 "[ . 1]" 1
47 1 12 ILE HA 1 12 ILE MD 4.100 . 6.000 2.868 1.981 3.810 0.019 7 0 "[ . 1]" 1
48 1 12 ILE HA 1 12 ILE MD 3.600 . 5.200 2.628 1.974 3.441 0.026 7 0 "[ . 1]" 1
49 1 12 ILE HA 1 12 ILE QG 3.200 . 4.500 2.612 2.262 2.968 . 0 0 "[ . 1]" 1
50 1 12 ILE HA 1 12 ILE MG 2.600 . 3.500 3.139 2.475 3.220 . 0 0 "[ . 1]" 1
51 1 12 ILE HA 1 13 GLY H 2.500 . 3.300 2.549 2.151 3.416 0.116 1 0 "[ . 1]" 1
52 1 12 ILE HA 1 14 PRO QD 3.200 . 4.400 4.175 3.104 5.156 0.756 1 1 "[+ . 1]" 1
53 1 12 ILE HB 1 12 ILE MD 2.400 . 3.100 2.483 2.369 3.191 0.091 10 0 "[ . 1]" 1
54 1 12 ILE HB 1 12 ILE QG 2.400 . 3.100 2.355 2.162 2.396 . 0 0 "[ . 1]" 1
55 1 12 ILE HB 1 13 GLY HA3 2.100 . 6.000 4.966 3.696 5.638 . 0 0 "[ . 1]" 1
56 1 12 ILE MD 1 12 ILE QG 2.200 . 2.800 1.800 1.680 1.848 . 0 0 "[ . 1]" 1
57 1 12 ILE MD 1 13 GLY HA3 4.600 . 6.000 4.846 3.512 6.529 0.529 2 1 "[ + . 1]" 1
58 1 12 ILE MD 1 13 GLY HA3 1.800 . 6.000 3.278 2.028 4.497 . 0 0 "[ . 1]" 1
59 1 12 ILE MD 1 14 PRO QD 3.700 . 5.400 4.383 3.458 4.813 . 0 0 "[ . 1]" 1
60 1 12 ILE QG 1 12 ILE MG 2.700 . 3.600 2.241 2.108 2.501 . 0 0 "[ . 1]" 1
61 1 12 ILE MG 1 13 GLY HA2 4.000 . 6.000 4.156 3.325 4.976 . 0 0 "[ . 1]" 1
62 1 12 ILE MG 1 13 GLY HA3 2.200 . 6.000 4.220 3.764 4.682 . 0 0 "[ . 1]" 1
63 1 12 ILE MG 1 14 PRO QD 2.600 . 6.000 3.848 2.009 4.790 . 0 0 "[ . 1]" 1
64 1 12 ILE MG 1 14 PRO QD 3.500 . 5.000 3.786 2.007 4.600 . 0 0 "[ . 1]" 1
65 1 13 GLY H 1 13 GLY HA2 2.700 . 3.600 2.643 2.274 2.947 . 0 0 "[ . 1]" 1
66 1 13 GLY H 1 13 GLY HA3 2.600 . 3.500 2.438 2.228 2.614 . 0 0 "[ . 1]" 1
67 1 13 GLY H 1 14 PRO HA 3.300 . 4.600 4.455 4.146 4.644 0.044 8 0 "[ . 1]" 1
68 1 13 GLY H 1 14 PRO QB 3.900 . 5.800 3.761 3.495 3.940 . 0 0 "[ . 1]" 1
69 1 13 GLY H 1 14 PRO QD 3.200 . 4.500 2.567 2.060 3.090 . 0 0 "[ . 1]" 1
70 1 13 GLY H 1 14 PRO QD 3.800 . 5.600 2.852 2.106 3.631 . 0 0 "[ . 1]" 1
71 1 13 GLY H 1 52 ARG QG 4.000 . 6.000 4.369 3.554 5.162 . 0 0 "[ . 1]" 1
72 1 13 GLY HA2 1 14 PRO QD 2.800 . 2.800 2.321 1.696 3.348 0.548 2 1 "[ + . 1]" 1
73 1 13 GLY HA2 1 52 ARG QG 2.900 . 6.000 4.863 4.021 5.677 . 0 0 "[ . 1]" 1
74 1 13 GLY HA3 1 14 PRO QD 2.700 . 3.300 2.855 1.790 3.336 0.036 7 0 "[ . 1]" 1
75 1 13 GLY HA3 1 15 GLY QA 2.000 . 6.000 5.464 4.906 6.118 0.118 8 0 "[ . 1]" 1
76 1 13 GLY HA3 1 16 VAL QG 2.900 . 6.000 3.458 2.030 4.792 . 0 0 "[ . 1]" 1
77 1 13 GLY HA3 1 52 ARG QB 2.600 . 6.000 5.352 5.030 5.770 . 0 0 "[ . 1]" 1
78 1 13 GLY HA3 1 53 CYS H 2.800 . 6.000 5.872 4.666 6.414 0.414 2 0 "[ . 1]" 1
79 1 14 PRO HA 1 14 PRO QB 2.400 . 3.100 2.203 2.184 2.246 . 0 0 "[ . 1]" 1
80 1 14 PRO HA 1 14 PRO QD 2.900 . 4.000 2.991 2.424 3.174 . 0 0 "[ . 1]" 1
81 1 14 PRO HA 1 14 PRO QG 2.900 . 4.000 3.404 2.823 3.540 . 0 0 "[ . 1]" 1
82 1 14 PRO HA 1 15 GLY H 2.800 . 2.800 2.817 2.150 3.126 0.326 5 0 "[ . 1]" 1
83 1 14 PRO HA 1 52 ARG QG 2.600 . 6.000 3.850 2.920 4.305 . 0 0 "[ . 1]" 1
84 1 14 PRO QB 1 14 PRO QD 3.400 . 4.300 2.903 2.721 3.006 . 0 0 "[ . 1]" 1
85 1 14 PRO QB 1 14 PRO QD 3.400 . 4.900 1.927 1.920 1.931 . 0 0 "[ . 1]" 1
86 1 14 PRO QB 1 52 ARG H 3.700 . 5.400 3.801 3.408 4.198 . 0 0 "[ . 1]" 1
87 1 14 PRO QB 1 15 GLY QA 2.800 . 6.000 4.149 3.898 4.305 . 0 0 "[ . 1]" 1
88 1 14 PRO QB 1 51 GLN HA 4.100 . 6.000 4.543 4.188 4.908 . 0 0 "[ . 1]" 1
89 1 14 PRO QB 1 52 ARG H 3.600 . 5.200 3.429 2.847 3.895 . 0 0 "[ . 1]" 1
90 1 14 PRO QB 1 52 ARG HA 3.800 . 5.600 3.125 2.134 3.973 . 0 0 "[ . 1]" 1
91 1 14 PRO QB 1 51 GLN HA 3.700 . 5.400 5.261 4.447 6.479 1.079 9 1 "[ . +1]" 1
92 1 14 PRO QD 1 14 PRO QG 2.900 . 3.900 1.957 1.944 1.973 . 0 0 "[ . 1]" 1
93 1 14 PRO QD 1 15 GLY H 3.600 . 5.000 3.336 2.602 4.718 . 0 0 "[ . 1]" 1
94 1 14 PRO QD 1 15 GLY H 4.100 . 6.000 3.288 2.589 4.505 . 0 0 "[ . 1]" 1
95 1 14 PRO QD 1 15 GLY QA 2.800 . 3.800 4.099 3.672 5.283 1.483 8 2 "[ . + -]" 1
96 1 14 PRO QD 1 52 ARG QG 3.700 . 5.400 4.292 3.465 5.346 . 0 0 "[ . 1]" 1
97 1 14 PRO QG 1 16 VAL QG 3.600 . 5.200 4.344 3.811 4.749 . 0 0 "[ . 1]" 1
98 1 14 PRO QG 1 50 GLY HA2 2.900 . 6.000 3.974 2.421 5.358 . 0 0 "[ . 1]" 1
99 1 14 PRO QG 1 51 GLN HA 4.200 . 6.000 4.764 4.163 5.701 . 0 0 "[ . 1]" 1
100 1 14 PRO QG 1 52 ARG HA 3.400 . 4.900 2.215 1.616 4.134 0.284 3 0 "[ . 1]" 1
101 1 15 GLY H 1 15 GLY QA 2.600 . 3.400 2.361 2.204 2.501 . 0 0 "[ . 1]" 1
102 1 15 GLY H 1 17 LYS H 4.000 . 6.000 5.257 4.831 5.480 . 0 0 "[ . 1]" 1
103 1 15 GLY QA 1 16 VAL H 2.300 . 3.000 2.233 2.077 2.565 . 0 0 "[ . 1]" 1
104 1 15 GLY QA 1 52 ARG HD2 3.700 . 5.500 3.774 2.700 4.846 . 0 0 "[ . 1]" 1
105 1 15 GLY HA2 1 16 VAL QG 3.200 . 4.500 3.193 2.962 3.587 . 0 0 "[ . 1]" 1
106 1 16 VAL H 1 16 VAL HB 3.800 . 5.700 3.545 2.578 4.004 . 0 0 "[ . 1]" 1
107 1 16 VAL H 1 16 VAL QG 2.800 . 3.800 2.363 1.957 2.603 0.043 2 0 "[ . 1]" 1
108 1 16 VAL H 1 16 VAL QG 3.300 . 4.700 1.912 1.703 2.574 0.197 7 0 "[ . 1]" 1
109 1 16 VAL H 1 16 VAL QG 2.900 . 3.900 2.230 1.828 2.573 0.072 6 0 "[ . 1]" 1
110 1 16 VAL H 1 17 LYS QD 3.500 . 5.000 4.129 3.359 4.948 . 0 0 "[ . 1]" 1
111 1 16 VAL H 1 43 ILE MD 3.500 . 5.000 5.003 4.524 5.199 0.199 6 0 "[ . 1]" 1
112 1 16 VAL H 1 45 LEU HG 3.900 . 5.800 3.420 2.051 5.488 . 0 0 "[ . 1]" 1
113 1 16 VAL H 1 45 LEU HG 3.700 . 5.400 3.398 2.051 5.371 . 0 0 "[ . 1]" 1
114 1 16 VAL HB 1 17 LYS H 2.600 . 3.400 2.038 1.713 3.466 0.087 1 0 "[ . 1]" 1
115 1 16 VAL HB 1 18 ALA H 5.000 . 5.000 4.323 2.988 5.123 0.123 8 0 "[ . 1]" 1
116 1 16 VAL QG 1 17 LYS H 3.700 . 3.800 2.588 1.776 3.565 0.224 3 0 "[ . 1]" 1
117 1 16 VAL QG 1 17 LYS H 4.300 . 6.000 2.096 1.570 2.329 0.430 4 0 "[ . 1]" 1
118 1 16 VAL QG 1 17 LYS HA 4.000 . 6.000 3.363 3.055 3.625 . 0 0 "[ . 1]" 1
119 1 16 VAL QG 1 17 LYS HB3 3.800 . 5.600 2.555 2.170 2.890 . 0 0 "[ . 1]" 1
120 1 16 VAL QG 1 17 LYS QG 2.400 . 6.000 3.852 3.316 4.361 . 0 0 "[ . 1]" 1
121 1 16 VAL QG 1 18 ALA H 5.000 . 6.000 3.826 2.063 4.953 . 0 0 "[ . 1]" 1
122 1 16 VAL QG 1 18 ALA H 3.400 . 4.800 3.099 2.054 4.005 . 0 0 "[ . 1]" 1
123 1 16 VAL QG 1 18 ALA H 4.100 . 6.000 3.411 2.062 4.608 . 0 0 "[ . 1]" 1
124 1 16 VAL QG 1 42 ILE HB 1.600 . 6.000 4.913 2.033 5.735 . 0 0 "[ . 1]" 1
125 1 16 VAL QG 1 52 ARG HD2 4.100 . 6.000 4.410 2.648 5.641 . 0 0 "[ . 1]" 1
126 1 17 LYS H 1 17 LYS QB 3.600 . 5.300 2.834 2.511 3.003 . 0 0 "[ . 1]" 1
127 1 17 LYS H 1 17 LYS QG 3.700 . 5.400 4.040 2.031 4.399 . 0 0 "[ . 1]" 1
128 1 17 LYS H 1 18 ALA H 3.100 . 3.400 2.881 1.884 3.600 0.200 1 0 "[ . 1]" 1
129 1 17 LYS H 1 19 VAL QG 3.900 . 5.800 4.353 2.953 5.150 . 0 0 "[ . 1]" 1
130 1 17 LYS HA 1 17 LYS QB 2.600 . 3.500 2.368 2.170 2.463 . 0 0 "[ . 1]" 1
131 1 17 LYS HA 1 17 LYS QB 2.900 . 3.900 2.121 2.019 2.176 . 0 0 "[ . 1]" 1
132 1 17 LYS HA 1 17 LYS HD2 2.300 . 3.000 2.353 1.866 2.909 . 0 0 "[ . 1]" 1
133 1 17 LYS HA 1 17 LYS QG 3.800 . 5.600 2.686 2.221 3.354 . 0 0 "[ . 1]" 1
134 1 17 LYS HA 1 18 ALA H 3.500 . 5.000 3.004 2.167 3.566 . 0 0 "[ . 1]" 1
135 1 17 LYS HA 1 18 ALA MB 3.400 . 4.400 4.118 3.975 4.326 . 0 0 "[ . 1]" 1
136 1 17 LYS QB 1 18 ALA H 3.700 . 5.400 3.108 1.757 4.015 0.243 7 0 "[ . 1]" 1
137 1 17 LYS HB2 1 64 ILE MD 2.300 . 6.000 5.493 4.571 6.398 0.398 7 0 "[ . 1]" 1
138 1 17 LYS QG 1 18 ALA HA 3.700 . 5.400 4.509 3.915 5.097 . 0 0 "[ . 1]" 1
139 1 17 LYS QG 1 19 VAL HA 2.100 . 6.000 4.646 3.850 5.239 . 0 0 "[ . 1]" 1
140 1 18 ALA H 1 18 ALA MB 3.100 . 4.300 2.835 2.243 2.989 . 0 0 "[ . 1]" 1
141 1 18 ALA H 1 19 VAL QG 5.000 . 6.000 3.527 3.056 4.231 . 0 0 "[ . 1]" 1
142 1 18 ALA H 1 19 VAL QG 3.800 . 5.600 2.722 1.988 3.641 0.012 8 0 "[ . 1]" 1
143 1 18 ALA HA 1 19 VAL H 2.600 . 3.500 2.222 2.101 2.852 . 0 0 "[ . 1]" 1
144 1 18 ALA HA 1 19 VAL QG 3.000 . 4.200 3.413 3.088 4.054 . 0 0 "[ . 1]" 1
145 1 18 ALA HA 1 19 VAL QG 3.600 . 5.200 3.186 2.893 3.659 . 0 0 "[ . 1]" 1
146 1 18 ALA MB 1 19 VAL H 3.800 . 4.400 3.005 1.849 3.544 0.151 2 0 "[ . 1]" 1
147 1 18 ALA MB 1 19 VAL HA 4.200 . 6.000 4.056 3.726 4.234 . 0 0 "[ . 1]" 1
148 1 19 VAL H 1 19 VAL HB 3.700 . 5.400 3.752 3.324 3.998 . 0 0 "[ . 1]" 1
149 1 19 VAL H 1 19 VAL QG 3.100 . 3.300 2.193 1.938 2.871 . 0 0 "[ . 1]" 1
150 1 19 VAL H 1 19 VAL QG 3.300 . 4.700 2.083 1.705 2.662 0.195 1 0 "[ . 1]" 1
151 1 19 VAL H 1 20 LYS H 5.000 . 5.000 4.191 4.015 4.644 . 0 0 "[ . 1]" 1
152 1 19 VAL H 1 21 VAL H 3.700 . 5.400 4.782 4.204 5.413 0.013 4 0 "[ . 1]" 1
153 1 19 VAL HA 1 19 VAL HB 2.200 . 2.800 2.347 2.213 2.447 . 0 0 "[ . 1]" 1
154 1 19 VAL HA 1 19 VAL QG 2.800 . 3.800 2.237 2.178 2.287 . 0 0 "[ . 1]" 1
155 1 19 VAL HA 1 20 LYS H 2.400 . 2.800 2.970 2.815 3.095 0.295 6 0 "[ . 1]" 1
156 1 19 VAL HA 1 20 LYS QB 3.200 . 4.500 4.503 4.367 4.714 0.214 5 0 "[ . 1]" 1
157 1 19 VAL HA 1 24 ILE HA 3.200 . 6.000 5.884 5.568 6.106 0.106 2 0 "[ . 1]" 1
158 1 19 VAL HA 1 24 ILE HB 3.000 . 4.100 4.183 3.805 4.312 0.212 10 0 "[ . 1]" 1
159 1 19 VAL HB 1 19 VAL QG 2.000 . 2.500 1.893 1.869 1.897 . 0 0 "[ . 1]" 1
160 1 19 VAL HB 1 20 LYS H 2.300 . 2.900 1.844 1.589 3.563 0.663 4 1 "[ +. 1]" 1
161 1 19 VAL HB 1 20 LYS H 2.200 . 2.800 1.678 1.559 2.114 0.041 8 0 "[ . 1]" 1
162 1 19 VAL HB 1 24 ILE MD 2.800 . 3.800 2.424 1.802 3.213 . 0 0 "[ . 1]" 1
163 1 19 VAL QG 1 20 LYS H 4.100 . 6.000 2.356 1.579 2.669 0.421 4 0 "[ . 1]" 1
164 1 19 VAL QG 1 20 LYS HA 3.900 . 5.800 3.609 3.358 3.822 . 0 0 "[ . 1]" 1
165 1 19 VAL QG 1 21 VAL HA 3.800 . 5.600 3.931 3.316 4.276 . 0 0 "[ . 1]" 1
166 1 19 VAL QG 1 21 VAL HA 4.300 . 6.000 3.806 3.285 4.130 . 0 0 "[ . 1]" 1
167 1 19 VAL QG 1 21 VAL HA 4.300 . 6.000 3.905 3.304 4.243 . 0 0 "[ . 1]" 1
168 1 19 VAL QG 1 21 VAL HA 4.000 . 6.000 3.710 3.259 4.079 . 0 0 "[ . 1]" 1
169 1 19 VAL QG 1 26 LYS H 4.100 . 6.000 4.381 4.124 4.567 . 0 0 "[ . 1]" 1
170 1 19 VAL QG 1 43 ILE HA 4.000 . 6.000 5.672 5.570 5.872 . 0 0 "[ . 1]" 1
171 1 19 VAL QG 1 44 THR H 4.400 . 6.000 4.377 4.198 4.858 . 0 0 "[ . 1]" 1
172 1 19 VAL QG 1 25 GLU H 3.900 . 5.800 3.416 3.044 3.898 . 0 0 "[ . 1]" 1
173 1 19 VAL QG 1 27 ALA H 3.700 . 5.400 4.316 4.060 4.795 . 0 0 "[ . 1]" 1
174 1 20 LYS H 1 20 LYS QB 2.100 . 2.700 2.301 2.084 2.562 . 0 0 "[ . 1]" 1
175 1 20 LYS H 1 20 LYS HG2 4.500 . 6.000 4.146 2.632 4.664 . 0 0 "[ . 1]" 1
176 1 20 LYS H 1 20 LYS HG3 3.900 . 5.800 3.917 1.956 4.479 0.044 5 0 "[ . 1]" 1
177 1 20 LYS H 1 20 LYS HG3 3.800 . 5.600 3.816 1.955 4.422 0.045 5 0 "[ . 1]" 1
178 1 20 LYS H 1 22 ALA H 3.900 . 5.800 5.224 4.774 5.863 0.063 4 0 "[ . 1]" 1
179 1 20 LYS H 1 23 ASP QB 5.000 . 5.000 4.201 3.695 4.592 . 0 0 "[ . 1]" 1
180 1 20 LYS H 1 46 LYS H 3.700 . 5.400 5.436 4.917 5.692 0.292 6 0 "[ . 1]" 1
181 1 20 LYS HA 1 20 LYS QB 2.600 . 3.500 2.389 2.317 2.509 . 0 0 "[ . 1]" 1
182 1 20 LYS HA 1 21 VAL H 2.200 . 2.800 2.217 2.130 2.468 . 0 0 "[ . 1]" 1
183 1 20 LYS HA 1 23 ASP QB 4.900 . 6.000 4.453 4.129 4.808 . 0 0 "[ . 1]" 1
184 1 20 LYS HA 1 25 GLU QB 2.000 . 6.000 5.040 4.839 5.176 . 0 0 "[ . 1]" 1
185 1 20 LYS QB 1 21 VAL H 3.200 . 4.400 3.710 2.906 3.984 . 0 0 "[ . 1]" 1
186 1 20 LYS QB 1 22 ALA H 2.900 . 3.800 3.578 2.849 4.013 0.213 4 0 "[ . 1]" 1
187 1 20 LYS QB 1 46 LYS H 2.800 . 3.800 3.920 3.808 4.058 0.258 8 0 "[ . 1]" 1
188 1 20 LYS QB 1 46 LYS H 5.000 . 6.000 5.895 5.256 6.117 0.117 5 0 "[ . 1]" 1
189 1 20 LYS HB3 1 21 VAL H 2.500 . 3.300 2.320 2.106 2.449 . 0 0 "[ . 1]" 1
190 1 20 LYS HB3 1 22 ALA HA 3.600 . 5.200 3.991 3.819 4.244 . 0 0 "[ . 1]" 1
191 1 20 LYS QG 1 21 VAL H 5.000 . 6.000 3.774 1.915 4.712 . 0 0 "[ . 1]" 1
192 1 20 LYS HG2 1 23 ASP H 2.700 . 3.600 2.968 2.446 3.570 . 0 0 "[ . 1]" 1
193 1 20 LYS HG2 1 24 ILE H 4.400 . 6.000 4.241 3.792 4.681 . 0 0 "[ . 1]" 1
194 1 20 LYS HG2 1 23 ASP QB 2.700 . 3.600 2.691 1.827 4.067 0.467 5 0 "[ . 1]" 1
195 1 21 VAL H 1 21 VAL HA 3.000 . 4.100 2.847 2.795 2.931 . 0 0 "[ . 1]" 1
196 1 21 VAL H 1 21 VAL QG 2.900 . 4.000 1.801 1.738 1.924 0.062 9 0 "[ . 1]" 1
197 1 21 VAL H 1 22 ALA H 2.800 . 2.800 3.390 2.817 3.997 1.197 4 5 "[- *+* *1]" 1
198 1 21 VAL H 1 23 ASP H 5.000 . 5.000 4.458 3.618 4.805 . 0 0 "[ . 1]" 1
199 1 21 VAL HA 1 21 VAL QG 3.000 . 4.100 2.222 2.162 2.299 . 0 0 "[ . 1]" 1
200 1 21 VAL HA 1 22 ALA H 5.000 . 5.000 2.661 2.105 3.439 . 0 0 "[ . 1]" 1
201 1 21 VAL HA 1 23 ASP H 5.000 . 5.000 3.953 3.735 4.505 . 0 0 "[ . 1]" 1
202 1 21 VAL HA 1 24 ILE H 5.000 . 5.000 4.429 3.998 5.030 0.030 4 0 "[ . 1]" 1
203 1 21 VAL HA 1 24 ILE MD 3.700 . 5.400 4.937 4.169 5.465 0.065 10 0 "[ . 1]" 1
204 1 21 VAL HA 1 64 ILE MG 2.800 . 6.000 4.795 3.931 5.612 . 0 0 "[ . 1]" 1
205 1 21 VAL HA 1 64 ILE MG 2.800 . 6.000 4.935 3.952 5.846 . 0 0 "[ . 1]" 1
206 1 21 VAL HA 1 68 VAL HA 2.300 . 6.000 5.952 5.175 6.242 0.242 5 0 "[ . 1]" 1
207 1 21 VAL HA 1 70 ARG QD 3.300 . 6.000 5.480 4.606 5.818 . 0 0 "[ . 1]" 1
208 1 21 VAL HB 1 70 ARG QD 3.200 . 4.500 3.900 2.809 4.310 . 0 0 "[ . 1]" 1
209 1 21 VAL QG 1 22 ALA HA 4.100 . 6.000 3.398 3.050 3.840 . 0 0 "[ . 1]" 1
210 1 21 VAL QG 1 22 ALA H 5.000 . 8.000 3.468 2.587 3.736 . 0 0 "[ . 1]" 1
211 1 21 VAL QG 1 22 ALA H 4.300 . 6.000 2.931 2.369 3.164 . 0 0 "[ . 1]" 1
212 1 22 ALA H 1 22 ALA HA 2.900 . 3.900 2.783 2.294 2.951 . 0 0 "[ . 1]" 1
213 1 22 ALA H 1 22 ALA MB 2.300 . 3.000 2.830 2.457 3.050 0.050 4 0 "[ . 1]" 1
214 1 22 ALA H 1 23 ASP H 2.600 . 2.800 1.957 1.676 2.566 0.124 1 0 "[ . 1]" 1
215 1 22 ALA H 1 24 ILE HB 3.700 . 5.400 5.089 4.585 5.496 0.096 7 0 "[ . 1]" 1
216 1 22 ALA HA 1 22 ALA MB 2.300 . 3.000 2.135 2.119 2.145 . 0 0 "[ . 1]" 1
217 1 22 ALA HA 1 23 ASP H 3.400 . 4.900 3.253 2.851 3.499 . 0 0 "[ . 1]" 1
218 1 22 ALA HA 1 23 ASP H 3.200 . 4.500 2.455 2.383 2.501 . 0 0 "[ . 1]" 1
219 1 22 ALA HA 1 24 ILE H 5.000 . 5.000 5.005 4.658 5.108 0.108 6 0 "[ . 1]" 1
220 1 22 ALA HA 1 25 GLU QB 3.500 . 5.100 4.587 3.332 5.155 0.055 1 0 "[ . 1]" 1
221 1 22 ALA MB 1 23 ASP H 2.800 . 3.800 3.059 2.450 3.613 . 0 0 "[ . 1]" 1
222 1 22 ALA MB 1 24 ILE H 5.000 . 6.000 4.970 4.550 5.322 . 0 0 "[ . 1]" 1
223 1 23 ASP H 1 23 ASP QB 2.800 . 3.300 2.370 2.120 2.647 . 0 0 "[ . 1]" 1
224 1 23 ASP H 1 24 ILE HA 3.300 . 4.600 3.415 3.338 3.476 . 0 0 "[ . 1]" 1
225 1 23 ASP H 1 25 GLU QB 2.300 . 6.000 5.204 4.744 6.013 0.013 2 0 "[ . 1]" 1
226 1 23 ASP HA 1 23 ASP QB 3.000 . 4.100 2.488 2.412 2.552 . 0 0 "[ . 1]" 1
227 1 23 ASP HA 1 23 ASP QB 3.100 . 4.300 2.218 2.186 2.266 . 0 0 "[ . 1]" 1
228 1 23 ASP HA 1 25 GLU QB 2.500 . 6.000 5.753 5.045 6.245 0.245 9 0 "[ . 1]" 1
229 1 23 ASP QB 1 24 ILE H 3.500 . 5.000 2.127 1.791 2.387 0.209 8 0 "[ . 1]" 1
230 1 23 ASP QB 1 25 GLU QB 2.000 . 6.000 5.567 5.272 5.776 . 0 0 "[ . 1]" 1
231 1 24 ILE H 1 24 ILE HB 2.400 . 3.100 3.683 3.509 3.814 0.714 3 7 "[-*+ * ** *]" 1
232 1 24 ILE H 1 24 ILE MD 3.300 . 4.700 2.386 1.892 3.945 0.008 9 0 "[ . 1]" 1
233 1 24 ILE H 1 24 ILE MG 3.700 . 5.400 3.516 3.352 3.705 . 0 0 "[ . 1]" 1
234 1 24 ILE H 1 25 GLU QB 3.000 . 4.100 4.193 4.110 4.292 0.192 2 0 "[ . 1]" 1
235 1 24 ILE HA 1 24 ILE HB 2.700 . 3.600 2.661 2.598 2.782 . 0 0 "[ . 1]" 1
236 1 24 ILE HA 1 24 ILE HB 2.900 . 3.900 2.132 2.071 2.173 . 0 0 "[ . 1]" 1
237 1 24 ILE HA 1 24 ILE MD 3.400 . 4.800 3.644 3.423 4.191 . 0 0 "[ . 1]" 1
238 1 24 ILE HA 1 24 ILE MG 2.600 . 3.400 2.158 2.114 2.220 . 0 0 "[ . 1]" 1
239 1 24 ILE HA 1 25 GLU H 2.400 . 2.800 2.434 2.305 2.580 . 0 0 "[ . 1]" 1
240 1 24 ILE HA 1 25 GLU QB 3.300 . 4.700 4.324 4.263 4.388 . 0 0 "[ . 1]" 1
241 1 24 ILE HA 1 25 GLU QB 2.800 . 3.800 3.483 2.867 3.795 . 0 0 "[ . 1]" 1
242 1 24 ILE HA 1 25 GLU QG 3.500 . 5.000 3.336 2.768 4.311 . 0 0 "[ . 1]" 1
243 1 24 ILE HA 1 26 LYS H 5.000 . 5.000 3.833 3.449 4.072 . 0 0 "[ . 1]" 1
244 1 24 ILE HA 1 43 ILE MG 3.200 . 4.500 4.639 4.455 4.742 0.242 9 0 "[ . 1]" 1
245 1 24 ILE HA 1 44 THR H 4.600 . 5.000 4.537 3.937 4.994 . 0 0 "[ . 1]" 1
246 1 24 ILE HA 1 45 LEU HA 4.100 . 5.000 4.380 3.679 5.025 0.025 7 0 "[ . 1]" 1
247 1 24 ILE HA 1 46 LYS H 3.600 . 5.000 4.316 4.079 4.682 . 0 0 "[ . 1]" 1
248 1 24 ILE HB 1 24 ILE MG 2.100 . 2.600 2.126 2.116 2.136 . 0 0 "[ . 1]" 1
249 1 24 ILE HB 1 25 GLU H 5.000 . 5.000 2.316 2.090 2.533 . 0 0 "[ . 1]" 1
250 1 24 ILE HB 1 25 GLU HA 2.600 . 3.500 2.438 2.389 2.478 . 0 0 "[ . 1]" 1
251 1 24 ILE HB 1 44 THR H 4.000 . 6.000 4.335 3.568 4.943 . 0 0 "[ . 1]" 1
252 1 24 ILE HB 1 44 THR HB 2.600 . 3.500 3.544 3.341 3.663 0.163 7 0 "[ . 1]" 1
253 1 24 ILE HB 1 44 THR HB 2.700 . 3.600 3.592 3.374 3.733 0.133 3 0 "[ . 1]" 1
254 1 24 ILE HB 1 45 LEU H 2.900 . 4.000 4.589 4.393 4.915 0.915 6 5 "[ * .+ -**]" 1
255 1 24 ILE HB 1 46 LYS H 2.200 . 2.800 1.736 1.560 2.045 0.040 1 0 "[ . 1]" 1
256 1 24 ILE QG 1 25 GLU H 3.400 . 6.400 2.942 2.562 3.154 . 0 0 "[ . 1]" 1
257 1 24 ILE QG 1 26 LYS H 2.800 . 5.800 4.630 4.267 4.884 . 0 0 "[ . 1]" 1
258 1 24 ILE MG 1 44 THR HG1 3.100 . 4.300 1.976 1.848 2.260 0.052 5 0 "[ . 1]" 1
259 1 24 ILE MG 1 25 GLU H 3.200 . 4.500 3.038 2.584 3.232 . 0 0 "[ . 1]" 1
260 1 24 ILE MG 1 44 THR H 3.900 . 5.800 3.760 3.451 3.883 . 0 0 "[ . 1]" 1
261 1 24 ILE MG 1 44 THR HG1 3.300 . 4.600 1.998 1.891 2.286 0.109 2 0 "[ . 1]" 1
262 1 24 ILE MG 1 46 LYS HA 3.200 . 4.400 4.115 3.630 4.538 0.138 9 0 "[ . 1]" 1
263 1 25 GLU H 1 25 GLU QB 2.800 . 3.800 2.934 2.888 2.988 . 0 0 "[ . 1]" 1
264 1 25 GLU H 1 26 LYS H 2.700 . 2.800 2.806 2.720 2.874 0.074 3 0 "[ . 1]" 1
265 1 25 GLU H 1 43 ILE MD 4.700 . 6.000 5.354 4.981 5.626 . 0 0 "[ . 1]" 1
266 1 25 GLU H 1 43 ILE MG 3.900 . 5.800 3.214 2.930 3.509 . 0 0 "[ . 1]" 1
267 1 25 GLU H 1 44 THR H 2.700 . 2.800 3.040 2.867 3.737 0.937 1 1 "[+ . 1]" 1
268 1 25 GLU H 1 44 THR HB 5.000 . 5.000 4.500 3.624 5.041 0.041 1 0 "[ . 1]" 1
269 1 25 GLU H 1 44 THR MG 3.200 . 4.400 3.299 2.460 4.559 0.159 3 0 "[ . 1]" 1
270 1 25 GLU H 1 45 LEU H 5.000 . 5.000 3.875 3.462 4.431 . 0 0 "[ . 1]" 1
271 1 25 GLU H 1 45 LEU HA 3.100 . 4.300 2.394 1.837 3.029 0.063 1 0 "[ . 1]" 1
272 1 25 GLU H 1 46 LYS H 3.000 . 3.400 3.324 3.016 3.689 0.289 2 0 "[ . 1]" 1
273 1 25 GLU H 1 49 LYS QG 3.400 . 6.000 5.490 5.144 5.818 . 0 0 "[ . 1]" 1
274 1 25 GLU HA 1 25 GLU QB 2.200 . 2.800 2.377 2.303 2.439 . 0 0 "[ . 1]" 1
275 1 25 GLU HA 1 26 LYS H 5.000 . 5.000 2.231 2.176 2.297 . 0 0 "[ . 1]" 1
276 1 25 GLU HA 1 45 LEU HA 3.400 . 4.800 3.105 2.614 3.486 . 0 0 "[ . 1]" 1
277 1 25 GLU QB 1 41 VAL QG 2.200 . 6.000 4.298 3.848 4.706 . 0 0 "[ . 1]" 1
278 1 25 GLU QB 1 25 GLU QG 2.100 . 2.600 2.075 2.014 2.097 . 0 0 "[ . 1]" 1
279 1 25 GLU QB 1 26 LYS H 2.800 . 3.800 3.942 3.916 3.973 0.173 10 0 "[ . 1]" 1
280 1 25 GLU QB 1 26 LYS H 3.200 . 4.500 3.133 2.703 3.460 . 0 0 "[ . 1]" 1
281 1 25 GLU QB 1 45 LEU H 2.800 . 6.000 4.190 3.546 4.733 . 0 0 "[ . 1]" 1
282 1 25 GLU QB 1 44 THR HB 4.000 . 6.000 5.769 5.193 6.251 0.251 9 0 "[ . 1]" 1
283 1 25 GLU QB 1 43 ILE MD 2.500 . 6.000 4.071 3.657 4.449 . 0 0 "[ . 1]" 1
284 1 25 GLU QB 1 43 ILE MG 2.900 . 3.900 3.338 2.982 3.649 . 0 0 "[ . 1]" 1
285 1 25 GLU QB 1 44 THR HB 3.400 . 4.400 6.518 5.273 7.371 2.971 1 10 [+-********] 1
286 1 25 GLU QB 1 45 LEU H 3.500 . 5.100 4.413 3.556 4.955 . 0 0 "[ . 1]" 1
287 1 25 GLU QB 1 45 LEU HA 2.500 . 3.300 2.352 2.008 2.775 . 0 0 "[ . 1]" 1
288 1 25 GLU QB 1 46 LYS H 2.800 . 3.800 3.986 3.850 4.160 0.360 8 0 "[ . 1]" 1
289 1 25 GLU QB 1 46 LYS H 1.700 . 6.000 3.368 2.256 3.948 . 0 0 "[ . 1]" 1
290 1 25 GLU HB2 1 44 THR HB 3.600 . 5.200 5.177 4.597 6.063 0.863 10 2 "[ . -+]" 1
291 1 25 GLU HB3 1 27 ALA H 4.500 . 6.000 4.198 3.790 4.374 . 0 0 "[ . 1]" 1
292 1 25 GLU QG 1 26 LYS H 4.600 . 6.000 3.920 3.806 4.127 . 0 0 "[ . 1]" 1
293 1 25 GLU QG 1 61 ALA HA 4.200 . 6.000 5.288 4.874 5.761 . 0 0 "[ . 1]" 1
294 1 25 GLU QG 1 52 ARG QG 3.300 . 4.700 4.090 2.851 5.256 0.556 10 1 "[ . +]" 1
295 1 26 LYS H 1 26 LYS HB2 3.200 . 4.500 3.203 2.580 3.647 . 0 0 "[ . 1]" 1
296 1 26 LYS H 1 27 ALA H 2.800 . 3.400 3.637 3.471 3.920 0.520 5 1 "[ + 1]" 1
297 1 26 LYS H 1 43 ILE HB 2.900 . 4.000 3.215 2.436 3.783 . 0 0 "[ . 1]" 1
298 1 26 LYS H 1 44 THR H 2.500 . 3.300 2.205 1.869 2.737 . 0 0 "[ . 1]" 1
299 1 26 LYS H 1 44 THR HB 3.500 . 5.000 3.385 3.289 3.512 . 0 0 "[ . 1]" 1
300 1 26 LYS H 1 44 THR HG1 5.000 . 5.000 4.728 3.807 5.196 0.196 10 0 "[ . 1]" 1
301 1 26 LYS H 1 44 THR MG 3.500 . 5.100 3.468 2.584 4.737 . 0 0 "[ . 1]" 1
302 1 26 LYS H 1 45 LEU HA 5.000 . 5.000 4.770 4.139 5.283 0.283 2 0 "[ . 1]" 1
303 1 26 LYS H 1 68 VAL HA 4.500 . 6.000 5.858 5.608 6.030 0.030 8 0 "[ . 1]" 1
304 1 26 LYS HB2 1 27 ALA H 3.500 . 5.100 2.951 2.392 3.502 . 0 0 "[ . 1]" 1
305 1 26 LYS HB2 1 44 THR HB 2.800 . 3.800 3.809 3.472 4.437 0.637 8 1 "[ . + 1]" 1
306 1 26 LYS HB2 1 44 THR HB 3.100 . 4.300 3.878 3.508 4.567 0.267 8 0 "[ . 1]" 1
307 1 26 LYS O 1 44 THR H 2.200 . 2.400 3.556 2.583 4.091 1.691 6 9 "[ ****+*-**]" 1
308 1 26 LYS O 1 44 THR N 3.300 2.500 3.500 4.269 3.528 4.766 1.266 3 7 "[ *+*-** *1]" 1
309 1 27 ALA H 1 27 ALA MB 2.800 . 3.700 2.203 2.054 2.287 . 0 0 "[ . 1]" 1
310 1 27 ALA H 1 44 THR H 3.900 . 5.800 4.008 3.694 4.236 . 0 0 "[ . 1]" 1
311 1 27 ALA H 1 41 VAL QG 3.600 . 5.200 2.810 1.917 3.693 0.083 6 0 "[ . 1]" 1
312 1 27 ALA H 1 42 ILE H 4.100 . 6.000 3.421 2.919 5.221 . 0 0 "[ . 1]" 1
313 1 27 ALA H 1 43 ILE MD 4.000 . 6.000 3.350 3.264 3.429 . 0 0 "[ . 1]" 1
314 1 27 ALA H 1 68 VAL QG 3.500 . 5.000 1.941 1.742 2.422 0.258 7 0 "[ . 1]" 1
315 1 27 ALA HA 1 27 ALA MB 2.300 . 3.000 2.101 2.058 2.129 . 0 0 "[ . 1]" 1
316 1 27 ALA HA 1 28 SER H 2.400 . 2.800 2.146 2.057 2.334 . 0 0 "[ . 1]" 1
317 1 27 ALA HA 1 33 SER HA 3.400 . 3.400 11.369 10.146 12.864 9.464 3 10 [**+****-**] 1
318 1 27 ALA HA 1 42 ILE H 5.000 . 5.000 3.648 3.264 4.296 . 0 0 "[ . 1]" 1
319 1 27 ALA HA 1 43 ILE HA 2.700 . 3.400 2.345 2.097 2.542 . 0 0 "[ . 1]" 1
320 1 27 ALA HA 1 43 ILE MG 4.300 . 6.000 2.938 2.362 3.528 . 0 0 "[ . 1]" 1
321 1 27 ALA HA 1 44 THR H 5.000 . 5.000 4.371 3.635 4.653 . 0 0 "[ . 1]" 1
322 1 27 ALA MB 1 28 SER H . . 3.400 3.216 2.295 3.643 0.243 9 0 "[ . 1]" 1
323 1 27 ALA MB 1 41 VAL QG 3.400 . 4.400 1.707 1.468 2.337 0.332 9 0 "[ . 1]" 1
324 1 27 ALA MB 1 44 THR H 5.000 . 5.000 4.749 4.421 5.291 0.291 5 0 "[ . 1]" 1
325 1 27 ALA MB 1 53 CYS HA 4.300 . 6.000 5.248 4.801 5.696 . 0 0 "[ . 1]" 1
326 1 27 ALA MB 1 64 ILE MD 4.100 . 6.000 4.086 3.279 5.230 . 0 0 "[ . 1]" 1
327 1 28 SER H 1 28 SER QB 3.400 . 4.800 2.487 2.295 2.722 . 0 0 "[ . 1]" 1
328 1 28 SER H 1 28 SER QB 3.800 . 5.600 2.387 2.195 2.560 . 0 0 "[ . 1]" 1
329 1 28 SER H 1 41 VAL QG 4.100 . 6.000 3.858 2.593 4.663 . 0 0 "[ . 1]" 1
330 1 28 SER H 1 42 ILE HB 3.300 . 4.600 3.592 3.254 3.958 . 0 0 "[ . 1]" 1
331 1 28 SER H 1 42 ILE O 2.200 . 2.400 2.443 1.941 2.855 0.455 9 0 "[ . 1]" 1
332 1 28 SER H 1 43 ILE HA 5.000 . 5.000 3.986 3.511 4.256 . 0 0 "[ . 1]" 1
333 1 28 SER H 1 68 VAL HB 4.200 . 6.000 6.133 4.963 6.487 0.487 8 0 "[ . 1]" 1
334 1 28 SER HA 1 29 ILE H 5.000 . 5.000 2.534 2.459 2.651 . 0 0 "[ . 1]" 1
335 1 28 SER HA 1 29 ILE H 3.200 . 4.500 2.388 2.334 2.466 . 0 0 "[ . 1]" 1
336 1 28 SER HA 1 30 MET H 4.500 . 6.000 5.492 4.982 5.792 . 0 0 "[ . 1]" 1
337 1 28 SER HA 1 41 VAL QG 4.000 . 6.000 3.599 3.087 3.883 . 0 0 "[ . 1]" 1
338 1 28 SER HA 1 41 VAL QG 3.200 . 4.500 4.277 3.185 4.605 0.105 5 0 "[ . 1]" 1
339 1 28 SER QB 1 29 ILE H 4.100 . 5.000 3.721 2.355 3.921 . 0 0 "[ . 1]" 1
340 1 28 SER QB 1 29 ILE H 4.800 . 6.000 3.488 2.346 3.751 . 0 0 "[ . 1]" 1
341 1 28 SER QB 1 29 ILE HB 3.400 . 3.400 4.342 4.155 4.619 1.219 6 10 [****-+****] 1
342 1 28 SER QB 1 41 VAL QG 3.700 . 5.500 4.450 3.229 5.028 . 0 0 "[ . 1]" 1
343 1 28 SER QB 1 42 ILE H 5.000 . 5.000 4.836 2.205 5.594 0.594 3 1 "[ + . 1]" 1
344 1 28 SER QB 1 42 ILE HB 5.000 . 5.000 4.478 3.328 4.948 . 0 0 "[ . 1]" 1
345 1 28 SER QB 1 43 ILE MG 3.800 . 5.600 5.061 4.600 5.510 . 0 0 "[ . 1]" 1
346 1 28 SER N 1 42 ILE O 3.300 2.500 3.500 3.240 2.859 3.583 0.083 9 0 "[ . 1]" 1
347 1 28 SER O 1 42 ILE H 2.200 . 2.400 4.526 4.148 4.888 2.488 3 10 [**+******-] 1
348 1 28 SER O 1 42 ILE N 3.300 2.500 3.500 5.367 4.948 5.755 2.255 3 10 [**+****-**] 1
349 1 29 ILE H 1 29 ILE HB 3.000 . 4.100 3.347 2.554 3.635 . 0 0 "[ . 1]" 1
350 1 29 ILE H 1 29 ILE QG 3.800 . 5.600 4.010 1.975 4.378 0.025 8 0 "[ . 1]" 1
351 1 29 ILE H 1 30 MET H 5.000 . 5.000 4.229 3.824 4.602 . 0 0 "[ . 1]" 1
352 1 29 ILE H 1 30 MET QB 3.200 . 4.400 4.536 4.180 5.999 1.599 8 1 "[ . + 1]" 1
353 1 29 ILE H 1 30 MET HB2 4.000 . 6.000 4.627 4.187 5.366 . 0 0 "[ . 1]" 1
354 1 29 ILE H 1 41 VAL QG 3.800 . 5.600 2.780 1.917 3.528 0.083 6 0 "[ . 1]" 1
355 1 29 ILE HB 1 68 VAL MG2 2.200 . 6.000 5.969 5.588 6.130 0.130 1 0 "[ . 1]" 1
356 1 29 ILE QG 1 29 ILE MG 3.000 . 4.100 2.267 2.100 2.371 . 0 0 "[ . 1]" 1
357 1 29 ILE QG 1 31 TYR QB 3.600 . 5.200 2.910 1.916 5.199 0.084 1 0 "[ . 1]" 1
358 1 29 ILE MG 1 30 MET H 3.400 . 4.800 3.442 1.883 4.250 0.117 8 0 "[ . 1]" 1
359 1 29 ILE MG 1 31 TYR QD 4.500 . 6.000 4.490 2.439 6.181 0.181 7 0 "[ . 1]" 1
360 1 29 ILE MG 1 41 VAL QG 2.800 . 4.800 2.983 2.657 4.507 . 0 0 "[ . 1]" 1
361 1 29 ILE MG 1 43 ILE MG 2.900 . 6.000 6.419 6.050 8.544 2.544 8 1 "[ . + 1]" 1
362 1 29 ILE MG 1 61 ALA MB 4.300 . 6.000 5.409 5.159 5.779 . 0 0 "[ . 1]" 1
363 1 29 ILE MG 1 64 ILE HG13 2.500 . 6.000 5.566 5.160 5.931 . 0 0 "[ . 1]" 1
364 1 29 ILE MG 1 68 VAL QG 2.200 . 6.000 5.608 5.175 5.976 . 0 0 "[ . 1]" 1
365 1 30 MET H 1 30 MET HA 2.300 . 3.000 2.202 2.089 2.289 . 0 0 "[ . 1]" 1
366 1 30 MET H 1 30 MET QB 2.800 . 3.800 2.777 2.310 3.265 . 0 0 "[ . 1]" 1
367 1 30 MET H 1 40 GLU O 2.200 . 2.400 4.891 4.379 5.426 3.026 8 10 [-******+**] 1
368 1 30 MET H 1 41 VAL HA 2.400 . 6.000 5.276 4.696 5.767 . 0 0 "[ . 1]" 1
369 1 30 MET HA 1 30 MET QB 2.500 . 3.300 2.330 2.168 2.416 . 0 0 "[ . 1]" 1
370 1 30 MET HA 1 31 TYR H 2.600 . 3.400 2.247 2.139 2.298 . 0 0 "[ . 1]" 1
371 1 30 MET HA 1 41 VAL QG 2.300 . 6.000 3.213 2.405 4.013 . 0 0 "[ . 1]" 1
372 1 30 MET QB 1 31 TYR H 4.300 . 6.000 3.973 3.838 4.047 . 0 0 "[ . 1]" 1
373 1 30 MET QB 1 39 ILE MD 2.900 . 4.000 3.016 2.686 3.427 . 0 0 "[ . 1]" 1
374 1 30 MET HB2 1 41 VAL QG 2.600 . 3.400 3.516 2.996 4.201 0.801 3 2 "[ -+ . 1]" 1
375 1 30 MET N 1 40 GLU O 3.300 2.500 3.500 4.119 3.691 4.478 0.978 8 7 "[ * **-+**]" 1
376 1 30 MET O 1 40 GLU H 2.200 . 2.400 5.452 4.650 6.054 3.654 3 10 [**+****-**] 1
377 1 30 MET O 1 40 GLU N 3.300 2.500 3.500 6.050 5.121 6.462 2.962 9 10 [-*******+*] 1
378 1 31 TYR H 1 31 TYR QB 3.300 . 4.600 2.777 2.681 2.835 . 0 0 "[ . 1]" 1
379 1 31 TYR H 1 32 PRO HG2 4.000 . 6.000 3.341 2.468 3.678 . 0 0 "[ . 1]" 1
380 1 31 TYR H 1 39 ILE MD 3.900 . 5.800 4.364 3.589 4.674 . 0 0 "[ . 1]" 1
381 1 31 TYR H 1 40 GLU QB 3.300 . 4.600 4.630 3.739 5.571 0.971 6 2 "[ .+ - 1]" 1
382 1 31 TYR H 1 41 VAL H 2.500 . 6.000 5.729 4.919 6.085 0.085 9 0 "[ . 1]" 1
383 1 31 TYR QB 1 31 TYR QD 3.100 . 3.900 2.136 2.129 2.141 . 0 0 "[ . 1]" 1
384 1 31 TYR QB 1 32 PRO QD 3.100 . 3.400 2.396 1.894 3.239 0.006 5 0 "[ . 1]" 1
385 1 31 TYR QB 1 32 PRO HG2 2.800 . 3.700 2.423 2.229 2.764 . 0 0 "[ . 1]" 1
386 1 31 TYR QB 1 32 PRO HG2 2.200 . 2.800 2.539 2.271 2.772 . 0 0 "[ . 1]" 1
387 1 31 TYR QB 1 34 ASN H 2.700 . 6.000 3.478 2.644 4.426 . 0 0 "[ . 1]" 1
388 1 31 TYR QD 1 32 PRO QD 3.600 . 5.200 2.666 2.052 3.053 . 0 0 "[ . 1]" 1
389 1 32 PRO HA 1 33 SER H 2.800 . 3.800 2.815 2.364 3.165 . 0 0 "[ . 1]" 1
390 1 32 PRO HA 1 38 LYS H 3.400 . 3.400 3.504 3.450 3.557 0.157 6 0 "[ . 1]" 1
391 1 32 PRO QB 1 32 PRO QD 3.100 . 4.300 2.719 2.608 2.861 . 0 0 "[ . 1]" 1
392 1 32 PRO QB 1 32 PRO HG3 1.900 . 2.300 2.192 2.177 2.220 . 0 0 "[ . 1]" 1
393 1 32 PRO QB 1 33 SER H 3.700 . 5.400 3.822 2.694 4.017 . 0 0 "[ . 1]" 1
394 1 32 PRO QB 1 34 ASN H 3.100 . 4.300 3.207 1.820 3.785 0.080 8 0 "[ . 1]" 1
395 1 32 PRO QB 1 38 LYS H 5.000 . 6.000 2.681 2.292 3.030 . 0 0 "[ . 1]" 1
396 1 32 PRO QD 1 32 PRO HG2 3.100 . 4.300 2.080 1.972 2.189 . 0 0 "[ . 1]" 1
397 1 32 PRO QD 1 32 PRO HG3 3.000 . 3.100 2.196 2.189 2.203 . 0 0 "[ . 1]" 1
398 1 32 PRO QD 1 39 ILE HA 3.400 . 3.400 3.297 2.509 3.608 0.208 9 0 "[ . 1]" 1
399 1 32 PRO QD 1 39 ILE HB 5.000 . 5.000 3.934 3.729 4.270 . 0 0 "[ . 1]" 1
400 1 32 PRO QD 1 39 ILE MD 3.900 . 5.800 4.538 4.194 4.873 . 0 0 "[ . 1]" 1
401 1 32 PRO QD 1 39 ILE MD 2.700 . 6.000 4.195 2.860 4.626 . 0 0 "[ . 1]" 1
402 1 32 PRO QD 1 39 ILE MG 2.900 . 4.000 1.954 1.755 2.385 0.045 8 0 "[ . 1]" 1
403 1 32 PRO HG2 1 33 SER HB2 3.400 . 4.900 3.840 3.478 4.494 . 0 0 "[ . 1]" 1
404 1 32 PRO HG2 1 36 CYS HA 2.700 . 6.000 5.883 5.347 6.047 0.047 10 0 "[ . 1]" 1
405 1 32 PRO HG3 1 36 CYS H 2.900 . 4.000 3.751 3.466 4.121 0.121 9 0 "[ . 1]" 1
406 1 32 PRO HG3 1 36 CYS H 3.000 . 4.100 3.941 3.658 4.129 0.029 9 0 "[ . 1]" 1
407 1 32 PRO HG3 1 37 ASP H 4.100 . 6.000 3.387 2.680 3.823 . 0 0 "[ . 1]" 1
408 1 32 PRO HG3 1 37 ASP HB2 2.500 . 6.000 6.072 4.966 6.823 0.823 7 2 "[ .-+ 1]" 1
409 1 32 PRO HG3 1 37 ASP HB2 3.100 . 6.000 4.477 3.808 5.176 . 0 0 "[ . 1]" 1
410 1 32 PRO HG3 1 38 LYS H 2.600 . 3.500 2.805 2.497 3.065 . 0 0 "[ . 1]" 1
411 1 33 SER QB 1 35 ASN H 3.000 . 4.100 3.109 2.290 3.658 . 0 0 "[ . 1]" 1
412 1 33 SER QB 1 38 LYS QG 3.400 . 4.800 4.236 3.754 4.603 . 0 0 "[ . 1]" 1
413 1 34 ASN H 1 34 ASN HB2 3.400 . 4.900 3.321 3.036 3.534 . 0 0 "[ . 1]" 1
414 1 34 ASN H 1 34 ASN HB3 4.100 . 6.000 3.791 3.450 4.053 . 0 0 "[ . 1]" 1
415 1 34 ASN H 1 35 ASN H 2.700 . 3.400 2.652 1.791 2.849 0.009 5 0 "[ . 1]" 1
416 1 34 ASN H 1 35 ASN HB3 4.000 . 6.000 5.291 4.774 5.701 . 0 0 "[ . 1]" 1
417 1 34 ASN H 1 36 CYS H 3.600 . 5.000 3.625 2.923 4.049 . 0 0 "[ . 1]" 1
418 1 34 ASN H 1 39 ILE MG 3.700 . 6.000 5.768 5.114 6.228 0.228 2 0 "[ . 1]" 1
419 1 34 ASN H 1 40 GLU QG 2.700 . 6.000 5.461 4.359 6.288 0.288 4 0 "[ . 1]" 1
420 1 34 ASN HA 1 35 ASN H 2.700 . 3.600 3.060 2.710 3.478 . 0 0 "[ . 1]" 1
421 1 34 ASN HA 1 36 CYS H 3.300 . 4.700 2.902 2.653 3.000 . 0 0 "[ . 1]" 1
422 1 34 ASN HA 1 36 CYS H . . 3.400 3.833 3.567 4.564 1.164 5 2 "[ - + 1]" 1
423 1 35 ASN H 1 35 ASN HB2 2.700 . 3.600 3.256 3.111 3.467 . 0 0 "[ . 1]" 1
424 1 35 ASN H 1 35 ASN HB3 2.800 . 3.800 2.947 2.819 3.213 . 0 0 "[ . 1]" 1
425 1 35 ASN H 1 36 CYS HA 3.400 . 4.900 4.280 4.118 4.491 . 0 0 "[ . 1]" 1
426 1 35 ASN H 1 36 CYS QB . . 2.800 3.033 2.950 3.101 0.301 7 0 "[ . 1]" 1
427 1 35 ASN HA 1 35 ASN HB2 2.500 . 3.300 2.531 2.462 2.645 . 0 0 "[ . 1]" 1
428 1 36 CYS H 1 36 CYS QB . . 2.800 2.604 2.365 2.723 . 0 0 "[ . 1]" 1
429 1 36 CYS H 1 37 ASP H 3.300 . 4.700 3.877 1.892 4.427 0.008 3 0 "[ . 1]" 1
430 1 36 CYS H 1 38 LYS QG 2.900 . 6.000 4.715 4.378 5.063 . 0 0 "[ . 1]" 1
431 1 36 CYS H 1 39 ILE MG 3.300 . 6.000 5.546 4.860 6.051 0.051 2 0 "[ . 1]" 1
432 1 36 CYS HA 1 38 LYS QB 2.800 . 6.000 5.774 5.271 5.998 . 0 0 "[ . 1]" 1
433 1 36 CYS HA 1 38 LYS QG 2.100 . 6.000 4.341 4.053 4.629 . 0 0 "[ . 1]" 1
434 1 36 CYS HA 1 38 LYS QG 2.500 . 6.000 4.224 4.000 4.452 . 0 0 "[ . 1]" 1
435 1 36 CYS QB 1 38 LYS QB 3.200 . 4.500 3.694 3.404 3.863 . 0 0 "[ . 1]" 1
436 1 36 CYS QB 1 38 LYS QG 2.500 . 6.000 2.082 1.751 2.423 . 0 0 "[ . 1]" 1
437 1 36 CYS QB 1 38 LYS QG 2.400 . 6.000 2.082 1.751 2.423 . 0 0 "[ . 1]" 1
438 1 36 CYS QB 1 39 ILE H 3.800 . 5.600 5.463 5.186 6.033 0.433 3 0 "[ . 1]" 1
439 1 37 ASP H 1 37 ASP HA 2.900 . 3.900 2.816 2.249 2.966 . 0 0 "[ . 1]" 1
440 1 37 ASP H 1 37 ASP HA 3.000 . 4.100 2.150 1.965 2.352 . 0 0 "[ . 1]" 1
441 1 37 ASP H 1 37 ASP HB2 3.300 . 4.600 3.227 2.540 3.829 . 0 0 "[ . 1]" 1
442 1 37 ASP H 1 37 ASP HB3 3.100 . 4.300 3.535 2.926 4.148 . 0 0 "[ . 1]" 1
443 1 37 ASP H 1 38 LYS H 2.900 . 3.900 2.207 1.805 2.997 0.095 10 0 "[ . 1]" 1
444 1 37 ASP H 1 38 LYS HA 3.700 . 5.400 4.707 4.457 5.382 . 0 0 "[ . 1]" 1
445 1 37 ASP HA 1 37 ASP HB2 2.300 . 3.000 2.793 2.414 3.034 0.034 1 0 "[ . 1]" 1
446 1 37 ASP HA 1 37 ASP HB3 2.800 . 3.800 2.381 2.191 2.500 . 0 0 "[ . 1]" 1
447 1 37 ASP HA 1 38 LYS H 5.000 . 5.000 3.175 3.023 3.404 . 0 0 "[ . 1]" 1
448 1 37 ASP HA 1 38 LYS H 3.100 . 4.300 2.698 2.640 2.765 . 0 0 "[ . 1]" 1
449 1 37 ASP HB2 1 38 LYS H 4.100 . 6.000 3.897 3.342 4.402 . 0 0 "[ . 1]" 1
450 1 37 ASP HB2 1 39 ILE MG 4.200 . 6.000 6.309 5.972 6.823 0.823 8 4 "[ .-*+ *]" 1
451 1 37 ASP HB3 1 38 LYS H 3.600 . 5.200 4.280 3.968 4.489 . 0 0 "[ . 1]" 1
452 1 38 LYS H 1 38 LYS HA 3.000 . 4.100 2.924 2.902 2.948 . 0 0 "[ . 1]" 1
453 1 38 LYS H 1 38 LYS QB 2.900 . 3.900 2.855 2.662 3.125 . 0 0 "[ . 1]" 1
454 1 38 LYS H 1 38 LYS QG 2.900 . 3.600 2.180 1.901 2.439 . 0 0 "[ . 1]" 1
455 1 38 LYS H 1 39 ILE H 3.800 . 5.000 4.366 4.117 4.526 . 0 0 "[ . 1]" 1
456 1 38 LYS HA 1 38 LYS QB 2.100 . 2.600 2.179 2.161 2.190 . 0 0 "[ . 1]" 1
457 1 38 LYS HA 1 39 ILE H 2.300 . 3.000 2.248 2.042 2.500 . 0 0 "[ . 1]" 1
458 1 38 LYS HA 1 39 ILE MG 4.100 . 6.000 3.253 2.906 3.418 . 0 0 "[ . 1]" 1
459 1 38 LYS QB 1 39 ILE H 2.500 . 3.300 2.841 2.336 3.274 . 0 0 "[ . 1]" 1
460 1 38 LYS QB 1 39 ILE H 2.700 . 3.600 2.739 2.319 3.064 . 0 0 "[ . 1]" 1
461 1 38 LYS QB 1 39 ILE H 2.200 . 2.800 2.011 1.887 2.082 . 0 0 "[ . 1]" 1
462 1 38 LYS QG 1 39 ILE H 3.200 . 3.400 3.714 3.363 4.205 0.805 3 2 "[ +-. 1]" 1
463 1 39 ILE H 1 39 ILE HA 2.500 . 3.300 2.914 2.897 2.937 . 0 0 "[ . 1]" 1
464 1 39 ILE H 1 39 ILE HB 2.900 . 4.000 2.449 2.206 2.768 . 0 0 "[ . 1]" 1
465 1 39 ILE H 1 39 ILE MD 4.100 . 6.000 3.770 3.614 4.011 . 0 0 "[ . 1]" 1
466 1 39 ILE H 1 39 ILE QG 2.700 . 3.600 2.084 1.904 2.314 . 0 0 "[ . 1]" 1
467 1 39 ILE H 1 39 ILE MG 2.900 . 4.000 2.590 2.346 3.108 . 0 0 "[ . 1]" 1
468 1 39 ILE H 1 40 GLU H 3.400 . 4.900 4.429 4.131 4.579 . 0 0 "[ . 1]" 1
469 1 39 ILE HA 1 39 ILE HB 2.700 . 3.600 2.451 2.399 2.488 . 0 0 "[ . 1]" 1
470 1 39 ILE HA 1 39 ILE QG 3.200 . 4.500 3.324 3.316 3.338 . 0 0 "[ . 1]" 1
471 1 39 ILE HA 1 39 ILE MG 2.900 . 3.900 2.318 2.235 2.376 . 0 0 "[ . 1]" 1
472 1 39 ILE HA 1 40 GLU H 2.500 . 2.800 2.186 2.032 2.311 . 0 0 "[ . 1]" 1
473 1 39 ILE HB 1 39 ILE MG 2.200 . 2.800 1.964 1.912 2.013 . 0 0 "[ . 1]" 1
474 1 39 ILE HB 1 40 GLU H 3.200 . 4.500 2.499 2.193 2.941 . 0 0 "[ . 1]" 1
475 1 39 ILE QG 1 39 ILE MG 2.200 . 2.800 2.322 2.280 2.356 . 0 0 "[ . 1]" 1
476 1 39 ILE QG 1 40 GLU H 3.700 . 5.400 3.986 3.461 4.293 . 0 0 "[ . 1]" 1
477 1 39 ILE MG 1 40 GLU HA 4.100 . 6.000 4.036 3.852 4.422 . 0 0 "[ . 1]" 1
478 1 40 GLU H 1 40 GLU QB 2.800 . 3.800 2.610 2.170 2.927 . 0 0 "[ . 1]" 1
479 1 40 GLU H 1 40 GLU QB 3.300 . 4.600 2.728 2.211 3.168 . 0 0 "[ . 1]" 1
480 1 40 GLU H 1 40 GLU QG 3.600 . 5.200 2.762 2.149 3.966 . 0 0 "[ . 1]" 1
481 1 40 GLU HA 1 40 GLU QG 3.600 . 5.300 3.091 2.456 3.446 . 0 0 "[ . 1]" 1
482 1 40 GLU HA 1 41 VAL H 2.700 . 3.400 2.339 2.276 2.392 . 0 0 "[ . 1]" 1
483 1 40 GLU HA 1 41 VAL H 2.700 . 3.600 2.248 2.199 2.287 . 0 0 "[ . 1]" 1
484 1 40 GLU QB 1 41 VAL H 3.400 . 4.900 2.598 2.171 3.398 . 0 0 "[ . 1]" 1
485 1 40 GLU QB 1 41 VAL H 2.800 . 3.800 2.340 2.157 2.605 . 0 0 "[ . 1]" 1
486 1 40 GLU QB 1 41 VAL H 3.500 . 5.100 2.495 2.057 3.071 . 0 0 "[ . 1]" 1
487 1 40 GLU QG 1 41 VAL H 3.500 . 5.000 3.661 2.229 4.482 . 0 0 "[ . 1]" 1
488 1 40 GLU QG 1 41 VAL H 4.000 . 6.000 3.446 2.219 4.100 . 0 0 "[ . 1]" 1
489 1 41 VAL H 1 41 VAL HB 2.800 . 3.800 2.793 2.442 3.746 . 0 0 "[ . 1]" 1
490 1 41 VAL H 1 41 VAL QG 3.000 . 4.100 2.776 1.828 3.151 0.072 1 0 "[ . 1]" 1
491 1 41 VAL H 1 41 VAL QG 3.500 . 5.000 2.687 1.810 3.032 0.190 1 0 "[ . 1]" 1
492 1 41 VAL H 1 43 ILE MD 4.000 . 6.000 3.554 2.892 4.021 . 0 0 "[ . 1]" 1
493 1 41 VAL H 1 54 LEU HB2 3.500 . 5.000 3.120 2.589 3.649 . 0 0 "[ . 1]" 1
494 1 41 VAL H 1 53 CYS HA 5.000 . 5.000 3.981 3.444 4.678 . 0 0 "[ . 1]" 1
495 1 41 VAL H 1 54 LEU H 5.000 . 5.000 3.414 2.754 4.243 . 0 0 "[ . 1]" 1
496 1 41 VAL H 1 54 LEU O 2.200 . 2.400 3.891 2.155 6.154 3.754 7 6 "[** *.*+ -1]" 1
497 1 41 VAL HA 1 42 ILE H 3.700 . 5.000 2.274 2.103 2.504 . 0 0 "[ . 1]" 1
498 1 41 VAL HB 1 54 LEU H 3.300 . 4.700 3.795 2.734 4.852 0.152 1 0 "[ . 1]" 1
499 1 41 VAL QG 1 42 ILE H 4.200 . 6.000 2.698 2.116 3.315 . 0 0 "[ . 1]" 1
500 1 41 VAL QG 1 42 ILE H 3.500 . 5.000 2.630 2.107 3.120 . 0 0 "[ . 1]" 1
501 1 41 VAL QG 1 53 CYS HA 3.600 . 5.200 3.120 2.756 3.524 . 0 0 "[ . 1]" 1
502 1 41 VAL QG 1 54 LEU H 3.600 . 5.300 2.404 2.000 2.861 . 0 0 "[ . 1]" 1
503 1 41 VAL QG 1 52 ARG QG 3.000 . 6.000 5.708 5.272 6.128 0.128 1 0 "[ . 1]" 1
504 1 41 VAL QG 1 54 LEU H 3.600 . 5.200 2.448 2.032 2.905 . 0 0 "[ . 1]" 1
505 1 41 VAL QG 1 54 LEU HB2 1.900 . 6.000 3.276 2.233 4.179 . 0 0 "[ . 1]" 1
506 1 41 VAL QG 1 61 ALA HA 4.000 . 6.000 3.667 3.259 4.018 . 0 0 "[ . 1]" 1
507 1 41 VAL QG 1 61 ALA HA 3.100 . 4.300 3.269 3.108 3.519 . 0 0 "[ . 1]" 1
508 1 41 VAL QG 1 61 ALA HA 3.500 . 5.000 3.595 3.215 3.980 . 0 0 "[ . 1]" 1
509 1 41 VAL QG 1 61 ALA MB 2.100 . 2.700 1.769 1.644 1.898 . 0 0 "[ . 1]" 1
510 1 41 VAL QG 1 68 VAL HA 4.100 . 6.000 5.693 5.508 5.870 . 0 0 "[ . 1]" 1
511 1 41 VAL N 1 54 LEU O 3.300 2.500 3.500 4.636 2.857 6.872 3.372 2 5 "[-+ *.** 1]" 1
512 1 42 ILE H 1 42 ILE HB 2.900 . 4.000 2.653 2.546 2.764 . 0 0 "[ . 1]" 1
513 1 42 ILE H 1 43 ILE HA 4.300 . 6.000 4.899 4.622 5.176 . 0 0 "[ . 1]" 1
514 1 42 ILE H 1 44 THR H 3.200 . 6.000 7.010 6.160 7.513 1.513 8 8 "[ ***.*-+**]" 1
515 1 42 ILE HB 1 42 ILE MG 2.400 . 3.100 2.135 2.128 2.142 . 0 0 "[ . 1]" 1
516 1 42 ILE MG 1 43 ILE H 3.300 . 4.700 2.958 2.824 3.105 . 0 0 "[ . 1]" 1
517 1 42 ILE MG 1 45 LEU H 3.100 . 6.000 4.983 4.261 5.837 . 0 0 "[ . 1]" 1
518 1 42 ILE MG 1 51 GLN HB3 2.400 . 6.000 4.128 2.898 5.043 . 0 0 "[ . 1]" 1
519 1 42 ILE MG 1 53 CYS HA 5.000 . 5.000 4.704 4.609 4.830 . 0 0 "[ . 1]" 1
520 1 43 ILE H 1 43 ILE HB 2.800 . 3.800 2.998 2.796 3.120 . 0 0 "[ . 1]" 1
521 1 43 ILE H 1 43 ILE MG 3.900 . 5.800 3.831 3.780 3.893 . 0 0 "[ . 1]" 1
522 1 43 ILE H 1 44 THR H 3.200 . 4.500 4.409 4.212 4.492 . 0 0 "[ . 1]" 1
523 1 43 ILE H 1 44 THR HB 5.000 . 5.000 6.077 5.299 7.055 2.055 7 6 "[*** * + -1]" 1
524 1 43 ILE H 1 51 GLN HB3 3.600 . 6.000 5.699 4.409 6.063 0.063 2 0 "[ . 1]" 1
525 1 43 ILE H 1 52 ARG H 3.400 . 4.900 3.056 2.656 3.402 . 0 0 "[ . 1]" 1
526 1 43 ILE H 1 52 ARG QB 2.900 . 3.900 2.946 2.596 3.273 . 0 0 "[ . 1]" 1
527 1 43 ILE H 1 52 ARG O 2.200 . 2.400 1.841 1.683 2.036 0.017 3 0 "[ . 1]" 1
528 1 43 ILE H 1 53 CYS HA 5.000 . 5.000 3.342 3.033 3.657 . 0 0 "[ . 1]" 1
529 1 43 ILE H 1 54 LEU H 5.000 . 5.000 4.518 3.998 5.022 0.022 2 0 "[ . 1]" 1
530 1 43 ILE H 1 61 ALA MB 2.900 . 6.000 5.968 5.521 6.201 0.201 8 0 "[ . 1]" 1
531 1 43 ILE HA 1 43 ILE MG 2.500 . 3.300 2.168 2.101 2.222 . 0 0 "[ . 1]" 1
532 1 43 ILE HA 1 44 THR H 2.200 . 2.800 2.283 2.144 2.402 . 0 0 "[ . 1]" 1
533 1 43 ILE HA 1 52 ARG QB 3.200 . 6.000 3.788 3.543 4.071 . 0 0 "[ . 1]" 1
534 1 43 ILE HB 1 43 ILE MG 2.100 . 2.600 2.120 2.110 2.130 . 0 0 "[ . 1]" 1
535 1 43 ILE HB 1 44 THR H 5.000 . 5.000 3.234 2.943 4.027 . 0 0 "[ . 1]" 1
536 1 43 ILE HB 1 45 LEU H 2.900 . 3.900 3.944 3.136 5.096 1.196 2 2 "[ + . - 1]" 1
537 1 43 ILE HB 1 51 GLN HA 3.500 . 5.000 5.039 4.588 5.342 0.342 6 0 "[ . 1]" 1
538 1 43 ILE HB 1 52 ARG H 3.700 . 5.400 3.510 2.876 3.988 . 0 0 "[ . 1]" 1
539 1 43 ILE MD 1 52 ARG HD2 4.200 . 6.000 3.777 1.616 4.916 0.384 2 0 "[ . 1]" 1
540 1 43 ILE MD 1 52 ARG QG 1.800 . 3.400 3.196 2.810 3.445 0.045 9 0 "[ . 1]" 1
541 1 43 ILE MG 1 44 THR H 2.800 . 3.800 2.051 1.742 2.978 0.058 9 0 "[ . 1]" 1
542 1 43 ILE MG 1 52 ARG QB 2.300 . 3.000 2.923 2.720 3.046 0.046 4 0 "[ . 1]" 1
543 1 43 ILE MG 1 53 CYS HA 4.700 . 6.000 5.961 5.442 6.333 0.333 5 0 "[ . 1]" 1
544 1 43 ILE MG 1 68 VAL HA 5.600 . 6.000 6.068 5.734 6.332 0.332 10 0 "[ . 1]" 1
545 1 43 ILE N 1 52 ARG O 3.300 2.500 3.500 2.769 2.635 2.954 . 0 0 "[ . 1]" 1
546 1 43 ILE O 1 52 ARG H 2.200 . 2.400 1.946 1.603 2.427 0.097 9 0 "[ . 1]" 1
547 1 43 ILE O 1 52 ARG N 3.300 2.500 3.500 2.673 2.561 2.777 . 0 0 "[ . 1]" 1
548 1 44 THR H 1 44 THR HB 3.000 . 4.100 3.520 3.063 3.767 . 0 0 "[ . 1]" 1
549 1 44 THR HB 1 45 LEU H 5.000 . 5.000 3.973 2.492 4.562 . 0 0 "[ . 1]" 1
550 1 44 THR HB 1 52 ARG QG 4.200 . 6.000 5.177 4.059 5.959 . 0 0 "[ . 1]" 1
551 1 44 THR HG1 1 46 LYS H 2.700 . 3.600 3.347 2.797 3.713 0.113 8 0 "[ . 1]" 1
552 1 44 THR HG1 1 45 LEU H 2.800 . 3.800 3.526 3.295 3.876 0.076 3 0 "[ . 1]" 1
553 1 44 THR HG1 1 46 LYS HA 3.600 . 5.200 4.815 3.802 6.009 0.809 5 1 "[ + 1]" 1
554 1 44 THR HG1 1 45 LEU H 3.400 . 3.400 3.817 3.601 4.451 1.051 3 2 "[ + - 1]" 1
555 1 44 THR HG1 1 45 LEU HA 5.000 . 5.000 3.852 3.175 4.100 . 0 0 "[ . 1]" 1
556 1 45 LEU H 1 45 LEU HG 2.400 . 3.100 2.689 1.739 3.102 0.002 5 0 "[ . 1]" 1
557 1 45 LEU H 1 46 LYS H 3.200 . 4.500 3.566 2.802 3.950 . 0 0 "[ . 1]" 1
558 1 45 LEU H 1 46 LYS HA 2.600 . 6.000 4.833 3.738 5.377 . 0 0 "[ . 1]" 1
559 1 45 LEU H 1 50 GLY H 3.000 . 4.200 4.533 3.626 6.186 1.986 9 2 "[ - +1]" 1
560 1 45 LEU H 1 52 ARG H 4.100 . 6.000 4.274 3.165 5.280 . 0 0 "[ . 1]" 1
561 1 45 LEU H 1 52 ARG QB 3.500 . 5.000 3.740 3.071 4.858 . 0 0 "[ . 1]" 1
562 1 45 LEU H 1 52 ARG QG 2.600 . 3.500 2.428 1.570 3.635 0.135 2 0 "[ . 1]" 1
563 1 45 LEU HA 1 45 LEU HG 2.800 . 3.800 3.649 3.477 3.744 . 0 0 "[ . 1]" 1
564 1 45 LEU HA 1 46 LYS H 2.200 . 2.800 2.152 2.051 2.209 . 0 0 "[ . 1]" 1
565 1 45 LEU HA 1 52 ARG QG 3.600 . 5.200 4.099 3.546 4.594 . 0 0 "[ . 1]" 1
566 1 46 LYS HA 1 49 LYS QB 2.100 . 6.000 4.951 3.934 6.915 0.915 1 1 "[+ . 1]" 1
567 1 49 LYS H 1 49 LYS HA 2.900 . 4.000 2.815 2.246 2.938 . 0 0 "[ . 1]" 1
568 1 49 LYS H 1 49 LYS QB 2.800 . 3.800 2.706 2.212 2.955 . 0 0 "[ . 1]" 1
569 1 49 LYS H 1 50 GLY H 3.500 . 5.000 3.517 2.271 4.388 . 0 0 "[ . 1]" 1
570 1 49 LYS HA 1 49 LYS QB 2.300 . 2.800 2.357 2.312 2.400 . 0 0 "[ . 1]" 1
571 1 49 LYS HA 1 49 LYS QB 2.200 . 2.800 2.117 2.092 2.154 . 0 0 "[ . 1]" 1
572 1 49 LYS HA 1 49 LYS QG 2.300 . 3.000 2.613 2.323 2.935 . 0 0 "[ . 1]" 1
573 1 49 LYS HA 1 50 GLY H 2.700 . 3.600 2.974 2.135 3.585 . 0 0 "[ . 1]" 1
574 1 49 LYS QB 1 50 GLY H 3.200 . 4.400 2.513 1.652 3.673 0.348 10 0 "[ . 1]" 1
575 1 49 LYS QG 1 50 GLY H 4.100 . 6.000 3.190 1.852 3.975 0.148 5 0 "[ . 1]" 1
576 1 49 LYS QG 1 51 GLN H 3.300 . 6.000 4.596 1.920 5.782 . 0 0 "[ . 1]" 1
577 1 50 GLY H 1 50 GLY HA3 2.500 . 3.300 2.727 2.305 2.953 . 0 0 "[ . 1]" 1
578 1 50 GLY HA2 1 51 GLN H 3.000 . 4.100 2.989 2.343 3.575 . 0 0 "[ . 1]" 1
579 1 50 GLY HA3 1 51 GLN H 2.800 . 3.800 2.779 2.338 3.239 . 0 0 "[ . 1]" 1
580 1 50 GLY HA3 1 51 GLN HA 4.200 . 5.000 4.471 4.264 4.626 . 0 0 "[ . 1]" 1
581 1 50 GLY HA3 1 51 GLN HB2 3.300 . 4.600 4.102 3.911 4.357 . 0 0 "[ . 1]" 1
582 1 51 GLN HA 1 51 GLN HB3 2.600 . 3.400 2.396 2.314 2.470 . 0 0 "[ . 1]" 1
583 1 51 GLN HA 1 51 GLN HG3 3.200 . 4.500 3.614 2.980 4.248 . 0 0 "[ . 1]" 1
584 1 51 GLN HA 1 52 ARG H 2.500 . 3.300 2.155 1.983 2.316 . 0 0 "[ . 1]" 1
585 1 51 GLN HA 1 52 ARG QB 3.700 . 5.400 4.289 3.812 4.653 . 0 0 "[ . 1]" 1
586 1 51 GLN HB2 1 52 ARG HA 2.900 . 4.000 4.268 4.122 4.612 0.612 9 2 "[- . +1]" 1
587 1 51 GLN HB3 1 52 ARG H 3.900 . 5.800 3.444 2.548 3.952 . 0 0 "[ . 1]" 1
588 1 52 ARG H 1 52 ARG QB 2.600 . 3.500 2.720 2.548 2.884 . 0 0 "[ . 1]" 1
589 1 52 ARG H 1 52 ARG QG 4.100 . 6.000 3.139 2.602 3.685 . 0 0 "[ . 1]" 1
590 1 52 ARG HA 1 52 ARG QB 2.600 . 3.300 2.373 2.252 2.505 . 0 0 "[ . 1]" 1
591 1 52 ARG HA 1 52 ARG HD2 3.700 . 5.400 3.204 2.009 4.289 . 0 0 "[ . 1]" 1
592 1 52 ARG HA 1 53 CYS H 3.000 . 4.100 2.249 2.150 2.470 . 0 0 "[ . 1]" 1
593 1 52 ARG HA 1 53 CYS HA 3.000 . 4.200 4.375 4.341 4.419 0.219 1 0 "[ . 1]" 1
594 1 52 ARG QB 1 52 ARG HD2 3.300 . 4.700 2.772 1.895 3.275 0.005 2 0 "[ . 1]" 1
595 1 52 ARG QB 1 53 CYS H 4.000 . 6.000 3.480 2.962 3.902 . 0 0 "[ . 1]" 1
596 1 52 ARG QB 1 53 CYS HA 2.500 . 6.000 4.077 3.820 4.315 . 0 0 "[ . 1]" 1
597 1 52 ARG QB 1 53 CYS HA 3.500 . 5.000 3.985 3.751 4.217 . 0 0 "[ . 1]" 1
598 1 52 ARG HD2 1 52 ARG QG 2.500 . 3.300 2.312 2.152 2.519 . 0 0 "[ . 1]" 1
599 1 53 CYS H 1 53 CYS HB2 3.500 . 5.000 3.160 2.793 3.730 . 0 0 "[ . 1]" 1
600 1 53 CYS H 1 53 CYS HB3 3.400 . 4.900 3.099 2.610 3.697 . 0 0 "[ . 1]" 1
601 1 53 CYS H 1 54 LEU H 5.000 . 5.000 4.187 3.841 4.443 . 0 0 "[ . 1]" 1
602 1 53 CYS HA 1 53 CYS HB2 3.000 . 4.100 2.653 2.426 3.004 . 0 0 "[ . 1]" 1
603 1 53 CYS HA 1 53 CYS HB3 2.900 . 4.000 2.672 2.262 3.033 . 0 0 "[ . 1]" 1
604 1 53 CYS HA 1 54 LEU H 2.300 . 2.800 2.179 2.111 2.240 . 0 0 "[ . 1]" 1
605 1 53 CYS HA 1 54 LEU HB2 4.300 . 6.000 4.390 3.995 4.662 . 0 0 "[ . 1]" 1
606 1 53 CYS HB2 1 54 LEU H 5.000 . 5.000 4.174 3.512 4.501 . 0 0 "[ . 1]" 1
607 1 53 CYS HB3 1 54 LEU H 4.300 . 6.000 4.104 3.428 4.496 . 0 0 "[ . 1]" 1
608 1 54 LEU H 1 54 LEU HB2 2.400 . 3.100 2.745 2.320 3.147 0.047 10 0 "[ . 1]" 1
609 1 54 LEU H 1 54 LEU HB3 3.200 . 4.500 2.908 2.512 3.778 . 0 0 "[ . 1]" 1
610 1 60 GLN H 1 60 GLN HA 2.900 . 4.000 2.764 2.252 2.955 . 0 0 "[ . 1]" 1
611 1 60 GLN H 1 60 GLN HB2 2.900 . 4.000 2.690 2.227 3.153 . 0 0 "[ . 1]" 1
612 1 60 GLN H 1 60 GLN HB3 2.600 . 3.500 3.194 2.401 3.776 0.276 7 0 "[ . 1]" 1
613 1 60 GLN H 1 60 GLN HG3 4.700 . 6.000 4.045 2.920 4.934 . 0 0 "[ . 1]" 1
614 1 60 GLN H 1 61 ALA H 2.600 . 3.400 2.494 1.784 3.335 0.016 7 0 "[ . 1]" 1
615 1 60 GLN H 1 62 ARG H 5.000 . 5.000 3.775 3.119 4.307 . 0 0 "[ . 1]" 1
616 1 60 GLN H 1 62 ARG HB2 4.100 . 6.000 5.137 3.611 5.984 . 0 0 "[ . 1]" 1
617 1 60 GLN HA 1 60 GLN HB2 2.600 . 3.500 2.703 2.415 3.027 . 0 0 "[ . 1]" 1
618 1 60 GLN HA 1 60 GLN HB3 3.000 . 4.200 2.812 2.455 3.033 . 0 0 "[ . 1]" 1
619 1 60 GLN HA 1 60 GLN HG3 2.700 . 3.600 2.810 2.470 3.754 0.154 5 0 "[ . 1]" 1
620 1 60 GLN HA 1 61 ALA H 4.100 . 5.000 3.431 3.333 3.550 . 0 0 "[ . 1]" 1
621 1 60 GLN HA 1 62 ARG H 3.400 . 4.900 3.409 3.008 3.722 . 0 0 "[ . 1]" 1
622 1 60 GLN HA 1 63 LEU H 3.700 . 5.000 3.546 3.299 3.912 . 0 0 "[ . 1]" 1
623 1 60 GLN HA 1 63 LEU QD 3.000 . 4.100 3.316 2.488 4.288 0.188 7 0 "[ . 1]" 1
624 1 60 GLN HB2 1 61 ALA H 4.500 . 6.000 3.686 2.825 4.210 . 0 0 "[ . 1]" 1
625 1 60 GLN HB3 1 61 ALA H 3.000 . 4.100 3.379 2.453 4.123 0.023 2 0 "[ . 1]" 1
626 1 60 GLN HB3 1 61 ALA HA 3.100 . 4.300 4.449 4.150 4.707 0.407 2 0 "[ . 1]" 1
627 1 61 ALA H 1 61 ALA HA 2.900 . 3.900 2.825 2.812 2.855 . 0 0 "[ . 1]" 1
628 1 61 ALA H 1 61 ALA MB 2.300 . 2.900 2.241 2.226 2.265 . 0 0 "[ . 1]" 1
629 1 61 ALA H 1 62 ARG H 2.800 . 2.800 2.535 2.483 2.628 . 0 0 "[ . 1]" 1
630 1 61 ALA H 1 62 ARG HA 5.000 . 5.000 5.074 4.924 5.129 0.129 5 0 "[ . 1]" 1
631 1 61 ALA HA 1 61 ALA MB 2.300 . 2.900 2.130 2.124 2.134 . 0 0 "[ . 1]" 1
632 1 61 ALA HA 1 62 ARG H 3.600 . 5.000 3.352 3.252 3.424 . 0 0 "[ . 1]" 1
633 1 61 ALA HA 1 63 LEU H 5.000 . 5.000 3.854 3.687 4.076 . 0 0 "[ . 1]" 1
634 1 61 ALA HA 1 64 ILE H 3.400 . 4.800 2.905 2.744 3.146 . 0 0 "[ . 1]" 1
635 1 61 ALA HA 1 64 ILE HB 2.400 . 2.800 2.315 1.826 2.895 0.095 6 0 "[ . 1]" 1
636 1 61 ALA HA 1 64 ILE MD 3.600 . 5.200 3.076 1.979 4.552 0.021 3 0 "[ . 1]" 1
637 1 61 ALA HA 1 64 ILE MG 3.900 . 5.800 3.784 3.316 4.346 . 0 0 "[ . 1]" 1
638 1 61 ALA HA 1 65 ILE H 4.400 . 6.000 4.378 3.993 4.778 . 0 0 "[ . 1]" 1
639 1 61 ALA MB 1 62 ARG H 3.000 . 3.800 3.031 2.884 3.232 . 0 0 "[ . 1]" 1
640 1 61 ALA MB 1 62 ARG HA 5.000 . 6.000 4.027 3.881 4.132 . 0 0 "[ . 1]" 1
641 1 61 ALA O 1 65 ILE H 2.200 . 2.400 2.345 2.016 2.574 0.174 3 0 "[ . 1]" 1
642 1 61 ALA O 1 65 ILE N 3.300 2.500 5.500 2.905 2.730 3.014 . 0 0 "[ . 1]" 1
643 1 62 ARG H 1 62 ARG HB2 3.300 . 4.600 2.483 2.393 2.601 . 0 0 "[ . 1]" 1
644 1 62 ARG H 1 62 ARG HB3 2.300 . 3.000 2.664 2.314 3.564 0.564 7 2 "[ - . + 1]" 1
645 1 62 ARG H 1 63 LEU H 2.600 . 2.800 2.633 2.459 2.735 . 0 0 "[ . 1]" 1
646 1 62 ARG H 1 63 LEU HA 3.600 . 5.200 5.258 5.137 5.335 0.135 9 0 "[ . 1]" 1
647 1 62 ARG H 1 65 ILE HB 2.500 . 6.000 5.675 4.829 6.091 0.091 3 0 "[ . 1]" 1
648 1 62 ARG HA 1 62 ARG HB3 2.900 . 3.900 2.921 2.466 3.031 . 0 0 "[ . 1]" 1
649 1 62 ARG HA 1 63 LEU H 3.700 . 5.000 3.512 3.479 3.535 . 0 0 "[ . 1]" 1
650 1 62 ARG HA 1 63 LEU MD1 4.100 . 6.000 4.125 3.716 4.613 . 0 0 "[ . 1]" 1
651 1 62 ARG HA 1 64 ILE H 5.000 . 5.000 4.034 3.798 4.558 . 0 0 "[ . 1]" 1
652 1 62 ARG HA 1 65 ILE H 3.600 . 5.000 3.599 3.279 3.878 . 0 0 "[ . 1]" 1
653 1 62 ARG HA 1 65 ILE HB 2.700 . 3.600 3.346 2.475 3.696 0.096 5 0 "[ . 1]" 1
654 1 62 ARG HA 1 65 ILE MD 3.400 . 4.900 4.172 3.576 4.914 0.014 1 0 "[ . 1]" 1
655 1 62 ARG HA 1 65 ILE MG 4.200 . 6.000 4.397 3.737 4.804 . 0 0 "[ . 1]" 1
656 1 62 ARG HB2 1 63 LEU H 2.300 . 3.000 2.468 2.227 3.373 0.373 8 0 "[ . 1]" 1
657 1 62 ARG HB2 1 64 ILE H 3.100 . 4.300 3.298 2.649 4.122 . 0 0 "[ . 1]" 1
658 1 62 ARG HB3 1 63 LEU H 2.200 . 2.800 2.802 2.365 3.758 0.958 3 2 "[ + . - 1]" 1
659 1 62 ARG HB3 1 63 LEU HA 2.600 . 6.000 4.129 4.014 4.406 . 0 0 "[ . 1]" 1
660 1 62 ARG O 1 66 LYS H 2.200 . 2.400 3.448 2.950 3.858 1.458 3 10 [**+-******] 1
661 1 62 ARG O 1 66 LYS N 3.300 2.500 3.500 4.303 3.824 4.739 1.239 3 9 "[**+ -*****]" 1
662 1 63 LEU H 1 63 LEU HB3 3.300 . 4.600 3.382 2.397 3.635 . 0 0 "[ . 1]" 1
663 1 63 LEU H 1 63 LEU MD1 3.200 . 4.500 2.587 1.943 3.049 . 0 0 "[ . 1]" 1
664 1 63 LEU H 1 64 ILE H 2.500 . 3.300 2.162 2.097 2.367 . 0 0 "[ . 1]" 1
665 1 63 LEU H 1 65 ILE H 3.100 . 4.300 2.604 2.498 2.700 . 0 0 "[ . 1]" 1
666 1 63 LEU HA 1 64 ILE HA 2.900 . 3.900 4.065 4.047 4.088 0.188 1 0 "[ . 1]" 1
667 1 63 LEU HA 1 63 LEU HB3 2.700 . 3.600 2.559 2.447 3.010 . 0 0 "[ . 1]" 1
668 1 63 LEU HA 1 63 LEU QD 2.700 . 3.600 2.384 1.888 3.367 . 0 0 "[ . 1]" 1
669 1 63 LEU HA 1 64 ILE H 3.500 . 5.000 3.373 3.289 3.487 . 0 0 "[ . 1]" 1
670 1 63 LEU HA 1 64 ILE H 3.000 . 4.100 2.951 2.914 3.013 . 0 0 "[ . 1]" 1
671 1 63 LEU HA 1 64 ILE HA 3.000 . 4.100 4.181 4.094 4.250 0.150 6 0 "[ . 1]" 1
672 1 63 LEU HA 1 64 ILE QG 4.200 . 6.000 4.394 3.832 4.590 . 0 0 "[ . 1]" 1
673 1 63 LEU HA 1 65 ILE H 5.000 . 5.000 3.704 3.487 4.081 . 0 0 "[ . 1]" 1
674 1 63 LEU HA 1 65 ILE H 3.500 . 5.000 3.630 3.437 3.957 . 0 0 "[ . 1]" 1
675 1 63 LEU HA 1 65 ILE HA 2.600 . 6.000 4.443 4.406 4.501 . 0 0 "[ . 1]" 1
676 1 63 LEU HB2 1 64 ILE H 2.300 . 2.900 2.448 2.357 2.511 . 0 0 "[ . 1]" 1
677 1 63 LEU HB3 1 64 ILE H 3.400 . 4.800 3.874 2.726 4.131 . 0 0 "[ . 1]" 1
678 1 63 LEU QD 1 65 ILE H 2.800 . 6.000 4.851 4.513 5.131 . 0 0 "[ . 1]" 1
679 1 63 LEU MD2 1 64 ILE H 5.000 . 6.000 4.681 4.035 5.179 . 0 0 "[ . 1]" 1
680 1 63 LEU O 1 67 LYS H 2.200 . 2.400 3.702 3.332 4.059 1.659 6 10 [****-+****] 1
681 1 63 LEU O 1 67 LYS N 3.300 2.500 5.500 4.191 3.714 4.559 . 0 0 "[ . 1]" 1
682 1 64 ILE H 1 64 ILE HA 2.800 . 3.800 2.886 2.831 2.899 . 0 0 "[ . 1]" 1
683 1 64 ILE H 1 64 ILE HB 2.200 . 2.800 2.545 2.429 2.638 . 0 0 "[ . 1]" 1
684 1 64 ILE H 1 64 ILE MD 3.700 . 5.400 3.580 3.006 3.918 . 0 0 "[ . 1]" 1
685 1 64 ILE H 1 64 ILE QG 3.100 . 4.300 2.312 2.000 2.593 . 0 0 "[ . 1]" 1
686 1 64 ILE H 1 64 ILE QG 3.600 . 5.200 2.276 1.986 2.528 0.014 1 0 "[ . 1]" 1
687 1 64 ILE H 1 65 ILE H 2.700 . 2.800 2.312 2.223 2.561 . 0 0 "[ . 1]" 1
688 1 64 ILE HA 1 64 ILE HB 2.700 . 3.600 3.032 3.028 3.035 . 0 0 "[ . 1]" 1
689 1 64 ILE HA 1 64 ILE MD 3.200 . 4.400 3.114 1.950 3.856 0.050 4 0 "[ . 1]" 1
690 1 64 ILE HA 1 64 ILE QG 3.000 . 4.100 2.637 2.286 3.031 . 0 0 "[ . 1]" 1
691 1 64 ILE HA 1 64 ILE MG 2.600 . 3.500 2.414 2.364 2.516 . 0 0 "[ . 1]" 1
692 1 64 ILE HA 1 65 ILE H 3.400 . 4.800 3.344 3.259 3.451 . 0 0 "[ . 1]" 1
693 1 64 ILE HA 1 67 LYS H 3.500 . 5.000 3.240 3.075 3.468 . 0 0 "[ . 1]" 1
694 1 64 ILE HA 1 68 VAL H 5.000 . 5.000 4.294 4.003 4.561 . 0 0 "[ . 1]" 1
695 1 64 ILE HB 1 64 ILE QG 2.500 . 3.300 2.284 2.186 2.369 . 0 0 "[ . 1]" 1
696 1 64 ILE HB 1 64 ILE MG 2.200 . 2.800 2.132 2.129 2.136 . 0 0 "[ . 1]" 1
697 1 64 ILE HB 1 65 ILE H 3.800 . 5.600 3.341 3.104 3.559 . 0 0 "[ . 1]" 1
698 1 64 ILE HB 1 67 LYS H 4.000 . 6.000 4.913 4.643 5.135 . 0 0 "[ . 1]" 1
699 1 64 ILE QG 1 65 ILE H 4.700 . 6.000 3.785 3.557 3.881 . 0 0 "[ . 1]" 1
700 1 64 ILE HG12 1 65 ILE HA 3.600 . 5.200 2.650 1.984 3.008 0.016 3 0 "[ . 1]" 1
701 1 64 ILE HG13 1 67 LYS H 5.100 . 6.000 3.356 3.028 3.587 . 0 0 "[ . 1]" 1
702 1 64 ILE MG 1 65 ILE H 4.000 . 6.000 3.972 3.819 4.042 . 0 0 "[ . 1]" 1
703 1 64 ILE MG 1 67 LYS HA 4.800 . 6.000 4.860 4.685 5.010 . 0 0 "[ . 1]" 1
704 1 64 ILE MG 1 67 LYS QB 1.900 . 2.400 2.280 2.138 2.420 0.020 6 0 "[ . 1]" 1
705 1 64 ILE O 1 68 VAL H 2.200 . 2.400 1.970 1.743 2.254 . 0 0 "[ . 1]" 1
706 1 64 ILE O 1 68 VAL N 3.300 2.500 3.500 2.887 2.714 3.099 . 0 0 "[ . 1]" 1
707 1 65 ILE H 1 65 ILE HA 3.000 . 4.100 2.815 2.793 2.842 . 0 0 "[ . 1]" 1
708 1 65 ILE H 1 65 ILE HB 2.200 . 2.800 2.343 2.116 2.465 . 0 0 "[ . 1]" 1
709 1 65 ILE H 1 65 ILE MD 3.900 . 5.800 3.592 3.356 4.153 . 0 0 "[ . 1]" 1
710 1 65 ILE H 1 65 ILE MG 3.700 . 5.400 3.654 3.264 3.757 . 0 0 "[ . 1]" 1
711 1 65 ILE H 1 66 LYS H 3.400 . 3.400 2.648 2.526 2.744 . 0 0 "[ . 1]" 1
712 1 65 ILE H 1 67 LYS H 3.300 . 3.400 3.693 3.618 3.795 0.395 7 0 "[ . 1]" 1
713 1 65 ILE HA 1 65 ILE HB 2.900 . 3.900 2.984 2.847 3.017 . 0 0 "[ . 1]" 1
714 1 65 ILE HA 1 65 ILE MD 2.700 . 3.600 1.874 1.801 1.928 . 0 0 "[ . 1]" 1
715 1 65 ILE HA 1 65 ILE MG 2.800 . 3.800 2.607 2.461 2.983 . 0 0 "[ . 1]" 1
716 1 65 ILE HA 1 66 LYS H 3.600 . 5.000 3.531 3.508 3.567 . 0 0 "[ . 1]" 1
717 1 65 ILE HA 1 67 LYS H 5.000 . 5.000 3.516 3.448 3.587 . 0 0 "[ . 1]" 1
718 1 65 ILE HA 1 68 VAL H 3.700 . 5.000 3.283 3.011 3.576 . 0 0 "[ . 1]" 1
719 1 65 ILE HA 1 68 VAL HA 3.300 . 6.000 5.495 5.173 5.890 . 0 0 "[ . 1]" 1
720 1 65 ILE HA 1 68 VAL HB 3.100 . 4.300 3.366 2.776 4.431 0.131 3 0 "[ . 1]" 1
721 1 65 ILE HA 1 69 GLU H 5.000 . 5.000 4.110 3.870 4.451 . 0 0 "[ . 1]" 1
722 1 65 ILE HA 1 69 GLU QB 3.600 . 5.300 4.594 4.221 5.172 . 0 0 "[ . 1]" 1
723 1 65 ILE HB 1 65 ILE MG 2.000 . 2.500 2.127 2.125 2.131 . 0 0 "[ . 1]" 1
724 1 65 ILE HB 1 66 LYS H 2.600 . 3.500 2.741 2.555 3.234 . 0 0 "[ . 1]" 1
725 1 65 ILE MD 1 69 GLU QB 2.200 . 6.000 4.839 3.432 5.714 . 0 0 "[ . 1]" 1
726 1 65 ILE MG 1 66 LYS HA 3.100 . 4.300 3.096 2.900 3.240 . 0 0 "[ . 1]" 1
727 1 65 ILE MG 1 67 LYS HA 3.800 . 6.000 6.323 6.219 6.407 0.407 4 0 "[ . 1]" 1
728 1 65 ILE MG 1 68 VAL HB 3.400 . 4.900 4.282 3.580 5.061 0.161 3 0 "[ . 1]" 1
729 1 65 ILE MG 1 69 GLU H 4.300 . 6.000 4.094 3.872 4.370 . 0 0 "[ . 1]" 1
730 1 65 ILE MG 1 69 GLU QB 2.700 . 3.600 3.184 2.746 3.637 0.037 3 0 "[ . 1]" 1
731 1 65 ILE O 1 69 GLU H 2.200 . 2.400 2.051 1.886 2.242 . 0 0 "[ . 1]" 1
732 1 65 ILE O 1 69 GLU N 3.300 2.500 5.500 2.828 2.733 2.961 . 0 0 "[ . 1]" 1
733 1 66 LYS H 1 68 VAL H 3.600 . 5.200 4.333 4.167 4.658 . 0 0 "[ . 1]" 1
734 1 66 LYS H 1 69 GLU H 3.400 . 4.800 4.607 4.474 4.720 . 0 0 "[ . 1]" 1
735 1 66 LYS HA 1 67 LYS H 2.700 . 3.600 2.721 2.710 2.734 . 0 0 "[ . 1]" 1
736 1 66 LYS HA 1 68 VAL H 3.400 . 4.800 3.382 3.250 3.433 . 0 0 "[ . 1]" 1
737 1 66 LYS HA 1 69 GLU H 3.600 . 5.200 3.056 2.795 3.213 . 0 0 "[ . 1]" 1
738 1 66 LYS HA 1 70 ARG H 3.700 . 5.400 3.488 3.109 3.811 . 0 0 "[ . 1]" 1
739 1 66 LYS HA 1 69 GLU H 3.200 . 3.400 3.198 2.892 3.395 . 0 0 "[ . 1]" 1
740 1 66 LYS HA 1 69 GLU QB 3.100 . 4.300 2.125 1.782 2.509 0.118 9 0 "[ . 1]" 1
741 1 67 LYS H 1 67 LYS HA 2.800 . 3.800 2.915 2.904 2.922 . 0 0 "[ . 1]" 1
742 1 67 LYS H 1 67 LYS QB 2.300 . 2.900 2.431 2.312 2.552 . 0 0 "[ . 1]" 1
743 1 67 LYS H 1 68 VAL H 2.800 . 2.800 2.187 2.062 2.350 . 0 0 "[ . 1]" 1
744 1 67 LYS H 1 69 GLU H 2.300 . 2.800 3.152 3.092 3.220 0.420 3 0 "[ . 1]" 1
745 1 67 LYS HA 1 67 LYS QB 2.500 . 3.300 2.323 1.989 2.410 . 0 0 "[ . 1]" 1
746 1 67 LYS QB 1 68 VAL H 2.400 . 3.100 2.488 2.222 2.855 . 0 0 "[ . 1]" 1
747 1 67 LYS QB 1 69 GLU H 3.000 . 4.100 3.975 3.831 4.076 . 0 0 "[ . 1]" 1
748 1 67 LYS HB2 1 69 GLU H 3.300 . 4.700 4.139 3.959 4.273 . 0 0 "[ . 1]" 1
749 1 68 VAL H 1 68 VAL HA 3.000 . 4.100 2.839 2.804 2.909 . 0 0 "[ . 1]" 1
750 1 68 VAL H 1 68 VAL HB 2.700 . 3.600 2.828 2.585 3.604 0.004 3 0 "[ . 1]" 1
751 1 68 VAL H 1 68 VAL QG 2.700 . 3.600 1.846 1.733 2.027 0.067 6 0 "[ . 1]" 1
752 1 68 VAL H 1 69 GLU H 2.800 . 2.800 2.434 2.155 2.544 . 0 0 "[ . 1]" 1
753 1 68 VAL HA 1 68 VAL HB 2.900 . 4.000 2.945 2.316 3.034 . 0 0 "[ . 1]" 1
754 1 68 VAL HA 1 68 VAL QG 2.700 . 3.600 2.158 2.108 2.455 . 0 0 "[ . 1]" 1
755 1 68 VAL HA 1 69 GLU H 2.900 . 3.400 3.438 3.364 3.493 0.093 10 0 "[ . 1]" 1
756 1 68 VAL HA 1 69 GLU QB 4.200 . 6.000 5.159 5.026 5.429 . 0 0 "[ . 1]" 1
757 1 68 VAL HB 1 69 GLU H 3.000 . 4.100 3.108 2.772 4.168 0.068 3 0 "[ . 1]" 1
758 1 68 VAL QG 1 69 GLU H 3.700 . 5.400 3.250 2.397 3.416 . 0 0 "[ . 1]" 1
759 1 69 GLU H 1 69 GLU QB 2.700 . 3.600 2.242 2.176 2.371 . 0 0 "[ . 1]" 1
760 1 69 GLU H 1 69 GLU HG2 3.000 . 4.100 4.138 2.717 4.584 0.484 7 0 "[ . 1]" 1
761 1 69 GLU H 1 70 ARG H 2.800 . 2.800 2.553 2.406 2.763 . 0 0 "[ . 1]" 1
762 1 69 GLU HA 1 69 GLU QB 2.600 . 3.400 2.403 2.339 2.454 . 0 0 "[ . 1]" 1
763 1 69 GLU HA 1 70 ARG H 2.600 . 3.400 2.707 2.682 2.736 . 0 0 "[ . 1]" 1
764 1 69 GLU QB 1 70 ARG H 3.700 . 5.400 3.118 2.713 3.422 . 0 0 "[ . 1]" 1
765 1 69 GLU HB3 1 70 ARG H 5.000 . 5.000 3.362 2.771 4.237 . 0 0 "[ . 1]" 1
766 1 70 ARG H 1 70 ARG HB2 2.800 . 3.800 2.498 2.294 2.828 . 0 0 "[ . 1]" 1
767 1 70 ARG H 1 70 ARG QG 4.200 . 6.000 3.364 2.320 3.986 . 0 0 "[ . 1]" 1
768 1 70 ARG HA 1 70 ARG HB2 2.400 . 3.100 2.687 2.375 3.021 . 0 0 "[ . 1]" 1
769 1 70 ARG HA 1 70 ARG QD 4.000 . 6.000 4.109 4.008 4.275 . 0 0 "[ . 1]" 1
770 1 70 ARG HA 1 70 ARG QG 2.900 . 4.000 2.437 2.215 2.570 . 0 0 "[ . 1]" 1
771 1 70 ARG HB2 1 70 ARG QD 2.800 . 3.700 2.457 2.269 2.774 . 0 0 "[ . 1]" 1
772 1 70 ARG HB3 1 70 ARG QD 2.300 . 2.900 2.597 2.324 2.828 . 0 0 "[ . 1]" 1
773 1 70 ARG QD 1 70 ARG QG 2.200 . 2.800 2.036 2.001 2.089 . 0 0 "[ . 1]" 1
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