NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378484 |
1hd6   |
4820 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hd6
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 477
_Distance_constraint_stats_list.Viol_count 805
_Distance_constraint_stats_list.Viol_total 971.247
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.095 0.050 5 0 "[ . 1 . 2]"
1 2 ILE 5.830 0.097 17 0 "[ . 1 . 2]"
1 3 CYS 1.704 0.074 2 0 "[ . 1 . 2]"
1 4 ASP 2.122 0.084 15 0 "[ . 1 . 2]"
1 5 ILE 5.986 0.097 17 0 "[ . 1 . 2]"
1 6 ALA 2.327 0.087 19 0 "[ . 1 . 2]"
1 7 ILE 1.425 0.080 10 0 "[ . 1 . 2]"
1 8 ALA 1.648 0.079 7 0 "[ . 1 . 2]"
1 9 GLN 2.979 0.087 19 0 "[ . 1 . 2]"
1 10 CYS 1.363 0.086 9 0 "[ . 1 . 2]"
1 11 SER 2.731 0.088 12 0 "[ . 1 . 2]"
1 12 LEU 2.444 0.076 11 0 "[ . 1 . 2]"
1 13 THR 3.390 0.084 12 0 "[ . 1 . 2]"
1 14 LEU 1.308 0.095 10 0 "[ . 1 . 2]"
1 15 CYS 2.118 0.084 12 0 "[ . 1 . 2]"
1 16 GLN 1.090 0.077 4 0 "[ . 1 . 2]"
1 17 ASP 0.094 0.034 6 0 "[ . 1 . 2]"
1 18 CYS 1.575 0.084 9 0 "[ . 1 . 2]"
1 19 GLU 1.680 0.089 16 0 "[ . 1 . 2]"
1 20 ASN 3.041 0.097 20 0 "[ . 1 . 2]"
1 21 THR 1.793 0.082 3 0 "[ . 1 . 2]"
1 22 PRO 4.428 0.094 13 0 "[ . 1 . 2]"
1 23 ILE 4.246 0.094 8 0 "[ . 1 . 2]"
1 24 CYS 1.269 0.069 3 0 "[ . 1 . 2]"
1 25 GLU 3.332 0.094 13 0 "[ . 1 . 2]"
1 26 LEU 3.572 0.095 20 0 "[ . 1 . 2]"
1 27 ALA 0.109 0.040 2 0 "[ . 1 . 2]"
1 28 VAL 2.305 0.084 16 0 "[ . 1 . 2]"
1 29 LYS 3.124 0.092 8 0 "[ . 1 . 2]"
1 30 GLY 0.087 0.040 2 0 "[ . 1 . 2]"
1 31 SER 0.343 0.069 16 0 "[ . 1 . 2]"
1 32 CYS 1.296 0.074 13 0 "[ . 1 . 2]"
1 33 PRO 0.104 0.047 4 0 "[ . 1 . 2]"
1 34 PRO 1.358 0.074 17 0 "[ . 1 . 2]"
1 35 PRO 0.418 0.070 3 0 "[ . 1 . 2]"
1 36 TRP 4.279 0.088 12 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP HA 1 1 ASP HB2 . . 2.800 2.403 2.323 2.506 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASP HA 1 1 ASP HB3 . . 2.800 2.544 2.440 2.686 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASP HA 1 2 ILE H . . 2.900 2.618 2.308 2.827 . 0 0 "[ . 1 . 2]" 1
4 1 1 ASP HB2 1 2 ILE H . . 2.700 2.297 1.981 2.691 . 0 0 "[ . 1 . 2]" 1
5 1 1 ASP HB3 1 2 ILE H . . 3.900 3.746 3.457 3.950 0.050 5 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 2 ILE HB . . 2.700 2.273 2.118 2.416 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 2 ILE HG12 . . 4.800 4.411 4.092 4.572 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 2 ILE QG . . 4.520 3.972 3.781 4.086 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE H 1 2 ILE HG13 . . 4.800 4.516 4.376 4.602 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE H 1 2 ILE MG . . 3.800 2.268 2.065 2.473 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE H 1 3 CYS H . . 3.200 2.827 2.587 2.984 . 0 0 "[ . 1 . 2]" 1
12 1 2 ILE HA 1 2 ILE HB . . 2.400 2.477 2.465 2.486 0.086 15 0 "[ . 1 . 2]" 1
13 1 2 ILE HA 1 2 ILE MD . . 3.400 2.388 2.257 2.631 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE HA 1 2 ILE HG12 . . 4.100 3.438 2.766 3.813 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE HA 1 2 ILE QG . . 3.810 2.880 2.703 3.052 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE HA 1 2 ILE HG13 . . 4.100 3.344 2.976 3.827 . 0 0 "[ . 1 . 2]" 1
17 1 2 ILE HA 1 3 CYS H . . 3.600 3.562 3.442 3.656 0.056 3 0 "[ . 1 . 2]" 1
18 1 2 ILE HA 1 4 ASP H . . 4.100 4.173 4.158 4.184 0.084 15 0 "[ . 1 . 2]" 1
19 1 2 ILE HA 1 5 ILE H . . 3.100 2.919 2.771 3.021 . 0 0 "[ . 1 . 2]" 1
20 1 2 ILE HA 1 5 ILE HB . . 3.200 2.170 2.126 2.292 . 0 0 "[ . 1 . 2]" 1
21 1 2 ILE HA 1 5 ILE MD . . 3.400 2.213 2.097 2.340 . 0 0 "[ . 1 . 2]" 1
22 1 2 ILE HA 1 5 ILE HG12 . . 3.700 3.788 3.779 3.797 0.097 17 0 "[ . 1 . 2]" 1
23 1 2 ILE HA 1 5 ILE HG13 . . 3.700 2.365 2.311 2.421 . 0 0 "[ . 1 . 2]" 1
24 1 2 ILE HA 1 5 ILE MG . . 4.200 3.541 3.521 3.560 . 0 0 "[ . 1 . 2]" 1
25 1 2 ILE HA 1 6 ALA H . . 4.300 3.743 3.644 3.836 . 0 0 "[ . 1 . 2]" 1
26 1 2 ILE HB 1 2 ILE MD . . 3.600 2.602 2.215 3.160 . 0 0 "[ . 1 . 2]" 1
27 1 2 ILE HB 1 3 CYS H . . 4.000 4.037 3.925 4.074 0.074 2 0 "[ . 1 . 2]" 1
28 1 2 ILE MD 1 17 ASP HB2 . . 4.400 2.977 2.096 3.544 . 0 0 "[ . 1 . 2]" 1
29 1 2 ILE MD 1 17 ASP QB . . 4.160 2.772 2.030 3.163 . 0 0 "[ . 1 . 2]" 1
30 1 2 ILE MD 1 17 ASP HB3 . . 4.400 3.420 2.698 3.715 . 0 0 "[ . 1 . 2]" 1
31 1 2 ILE QG 1 17 ASP QB . . 4.850 1.963 1.884 2.143 . 0 0 "[ . 1 . 2]" 1
32 1 2 ILE QG 1 18 CYS HA . . 4.780 4.252 4.058 4.396 . 0 0 "[ . 1 . 2]" 1
33 1 2 ILE HG12 1 2 ILE MG . . 3.700 2.519 2.152 3.125 . 0 0 "[ . 1 . 2]" 1
34 1 2 ILE HG12 1 17 ASP HB2 . . 5.950 3.004 2.235 4.252 . 0 0 "[ . 1 . 2]" 1
35 1 2 ILE HG12 1 17 ASP HB3 . . 5.950 2.735 2.132 3.888 . 0 0 "[ . 1 . 2]" 1
36 1 2 ILE HG13 1 2 ILE MG . . 3.700 2.290 2.042 2.454 . 0 0 "[ . 1 . 2]" 1
37 1 2 ILE HG13 1 17 ASP HB2 . . 5.950 2.517 2.120 2.948 . 0 0 "[ . 1 . 2]" 1
38 1 2 ILE HG13 1 17 ASP HB3 . . 5.950 2.818 2.144 3.571 . 0 0 "[ . 1 . 2]" 1
39 1 2 ILE MG 1 3 CYS H . . 3.700 2.381 2.230 2.606 . 0 0 "[ . 1 . 2]" 1
40 1 2 ILE MG 1 17 ASP HB2 . . 3.900 3.070 2.957 3.146 . 0 0 "[ . 1 . 2]" 1
41 1 2 ILE MG 1 17 ASP QB . . 3.550 2.490 2.201 2.586 . 0 0 "[ . 1 . 2]" 1
42 1 2 ILE MG 1 17 ASP HB3 . . 3.900 2.647 2.248 2.834 . 0 0 "[ . 1 . 2]" 1
43 1 2 ILE MG 1 18 CYS H . . 5.500 3.439 3.017 3.980 . 0 0 "[ . 1 . 2]" 1
44 1 2 ILE MG 1 18 CYS HA . . 3.500 2.303 1.893 2.695 . 0 0 "[ . 1 . 2]" 1
45 1 2 ILE MG 1 19 GLU H . . 6.000 3.764 3.301 4.222 . 0 0 "[ . 1 . 2]" 1
46 1 3 CYS H 1 3 CYS HB2 . . 3.400 2.216 2.129 2.342 . 0 0 "[ . 1 . 2]" 1
47 1 3 CYS H 1 3 CYS QB . . 2.990 2.167 2.082 2.234 . 0 0 "[ . 1 . 2]" 1
48 1 3 CYS H 1 3 CYS HB3 . . 3.400 3.165 2.662 3.473 0.073 3 0 "[ . 1 . 2]" 1
49 1 3 CYS H 1 4 ASP H . . 2.900 2.597 2.299 2.849 . 0 0 "[ . 1 . 2]" 1
50 1 3 CYS HA 1 5 ILE H . . 4.800 4.446 4.201 4.567 . 0 0 "[ . 1 . 2]" 1
51 1 3 CYS HA 1 6 ALA H . . 3.500 3.484 3.413 3.561 0.061 6 0 "[ . 1 . 2]" 1
52 1 3 CYS HA 1 6 ALA MB . . 3.500 2.731 2.665 2.776 . 0 0 "[ . 1 . 2]" 1
53 1 3 CYS HA 1 7 ILE H . . 4.900 4.119 3.904 4.496 . 0 0 "[ . 1 . 2]" 1
54 1 3 CYS HA 1 18 CYS HB2 . . 2.800 2.259 2.114 2.497 . 0 0 "[ . 1 . 2]" 1
55 1 3 CYS HA 1 18 CYS HB3 . . 3.800 3.497 3.219 3.866 0.066 13 0 "[ . 1 . 2]" 1
56 1 3 CYS QB 1 4 ASP H . . 3.370 2.554 2.409 2.742 . 0 0 "[ . 1 . 2]" 1
57 1 3 CYS HB2 1 4 ASP H . . 3.900 3.189 2.699 3.718 . 0 0 "[ . 1 . 2]" 1
58 1 3 CYS HB3 1 4 ASP H . . 3.900 2.762 2.450 3.052 . 0 0 "[ . 1 . 2]" 1
59 1 4 ASP H 1 4 ASP HB2 . . 3.100 2.604 2.348 2.954 . 0 0 "[ . 1 . 2]" 1
60 1 4 ASP H 1 4 ASP HB3 . . 3.000 2.523 2.185 2.795 . 0 0 "[ . 1 . 2]" 1
61 1 4 ASP H 1 5 ILE H . . 3.100 2.565 2.427 2.730 . 0 0 "[ . 1 . 2]" 1
62 1 4 ASP HA 1 4 ASP HB2 . . 2.800 2.460 2.291 2.582 . 0 0 "[ . 1 . 2]" 1
63 1 4 ASP HA 1 6 ALA H . . 4.900 4.678 4.463 4.941 0.041 4 0 "[ . 1 . 2]" 1
64 1 4 ASP HA 1 7 ILE H . . 3.700 3.422 3.002 3.750 0.050 4 0 "[ . 1 . 2]" 1
65 1 4 ASP HA 1 7 ILE HB . . 2.900 2.519 2.223 2.944 0.044 12 0 "[ . 1 . 2]" 1
66 1 4 ASP HA 1 8 ALA H . . 4.200 3.957 3.817 4.149 . 0 0 "[ . 1 . 2]" 1
67 1 4 ASP HB2 1 5 ILE H . . 3.900 3.889 3.614 3.971 0.071 2 0 "[ . 1 . 2]" 1
68 1 4 ASP HB3 1 5 ILE H . . 3.100 2.652 2.382 2.873 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE H 1 5 ILE HB . . 2.600 2.595 2.508 2.660 0.060 10 0 "[ . 1 . 2]" 1
70 1 5 ILE H 1 5 ILE MD . . 5.300 3.708 3.660 3.794 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE H 1 5 ILE HG12 . . 3.500 3.206 3.100 3.302 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE H 1 5 ILE QG . . 3.000 2.076 1.986 2.171 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE H 1 5 ILE HG13 . . 3.500 2.103 2.008 2.201 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE H 1 6 ALA H . . 3.000 2.925 2.638 3.050 0.050 2 0 "[ . 1 . 2]" 1
75 1 5 ILE HA 1 5 ILE HB . . 3.000 3.031 3.012 3.048 0.048 9 0 "[ . 1 . 2]" 1
76 1 5 ILE HA 1 5 ILE MD . . 4.400 3.782 3.761 3.796 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE HA 1 5 ILE HG12 . . 3.000 2.406 2.314 2.461 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE HA 1 5 ILE QG . . 2.770 2.324 2.248 2.366 . 0 0 "[ . 1 . 2]" 1
79 1 5 ILE HA 1 5 ILE HG13 . . 3.000 3.070 3.034 3.079 0.079 15 0 "[ . 1 . 2]" 1
80 1 5 ILE HA 1 5 ILE MG . . 3.400 2.467 2.406 2.508 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE HA 1 8 ALA H . . 3.400 3.461 3.404 3.479 0.079 7 0 "[ . 1 . 2]" 1
82 1 5 ILE HA 1 8 ALA MB . . 3.400 2.615 2.545 2.717 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE HA 1 9 GLN H . . 4.100 4.017 3.876 4.138 0.038 14 0 "[ . 1 . 2]" 1
84 1 5 ILE HB 1 5 ILE MD . . 3.400 2.531 2.407 2.660 . 0 0 "[ . 1 . 2]" 1
85 1 5 ILE HB 1 5 ILE QG . . 2.690 2.354 2.321 2.405 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE HB 1 6 ALA H . . 2.700 2.375 2.251 2.486 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE HG12 1 6 ALA H . . 5.000 4.841 4.738 4.909 . 0 0 "[ . 1 . 2]" 1
88 1 5 ILE HG13 1 6 ALA H . . 5.000 4.202 3.995 4.333 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE MG 1 6 ALA H . . 4.100 3.188 2.962 3.344 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE MG 1 9 GLN H . . 5.500 3.994 3.787 4.139 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE MG 1 9 GLN QB . . 6.480 3.357 2.759 3.628 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE MG 1 9 GLN HE21 . . 5.100 2.643 1.886 3.702 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE MG 1 9 GLN QE . . 4.780 2.479 1.851 3.496 . 0 0 "[ . 1 . 2]" 1
94 1 5 ILE MG 1 9 GLN HE22 . . 5.100 3.321 2.508 4.353 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE MG 1 9 GLN HG2 . . 4.900 3.548 2.448 4.075 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE MG 1 9 GLN QG . . 4.340 2.544 1.994 3.063 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE MG 1 9 GLN HG3 . . 4.900 2.685 2.112 4.083 . 0 0 "[ . 1 . 2]" 1
98 1 6 ALA H 1 6 ALA MB . . 3.400 2.198 2.156 2.242 . 0 0 "[ . 1 . 2]" 1
99 1 6 ALA H 1 7 ILE H . . 3.300 2.781 2.656 2.877 . 0 0 "[ . 1 . 2]" 1
100 1 6 ALA HA 1 8 ALA H . . 5.000 4.551 4.367 4.730 . 0 0 "[ . 1 . 2]" 1
101 1 6 ALA HA 1 9 GLN H . . 3.600 3.457 3.325 3.578 . 0 0 "[ . 1 . 2]" 1
102 1 6 ALA HA 1 9 GLN HB2 . . 3.700 2.365 2.267 2.707 . 0 0 "[ . 1 . 2]" 1
103 1 6 ALA HA 1 9 GLN QB . . 3.160 2.341 2.250 2.650 . 0 0 "[ . 1 . 2]" 1
104 1 6 ALA HA 1 9 GLN HB3 . . 3.700 3.779 3.766 3.787 0.087 19 0 "[ . 1 . 2]" 1
105 1 6 ALA HA 1 10 CYS H . . 4.400 4.206 3.857 4.470 0.070 11 0 "[ . 1 . 2]" 1
106 1 6 ALA MB 1 7 ILE H . . 3.400 2.573 2.360 2.700 . 0 0 "[ . 1 . 2]" 1
107 1 6 ALA MB 1 11 SER H . . 5.300 3.505 3.211 3.765 . 0 0 "[ . 1 . 2]" 1
108 1 6 ALA MB 1 14 LEU H . . 5.100 4.086 3.916 4.133 . 0 0 "[ . 1 . 2]" 1
109 1 6 ALA MB 1 15 CYS H . . 3.900 2.993 2.832 3.123 . 0 0 "[ . 1 . 2]" 1
110 1 7 ILE H 1 7 ILE HB . . 2.800 2.370 2.234 2.526 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE H 1 7 ILE MD . . 5.100 3.303 3.202 3.557 . 0 0 "[ . 1 . 2]" 1
112 1 7 ILE H 1 7 ILE HG12 . . 4.100 3.702 3.603 3.802 . 0 0 "[ . 1 . 2]" 1
113 1 7 ILE H 1 7 ILE QG . . 3.400 2.316 2.228 2.398 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE H 1 7 ILE HG13 . . 4.100 2.340 2.248 2.424 . 0 0 "[ . 1 . 2]" 1
115 1 7 ILE H 1 8 ALA H . . 3.200 2.684 2.534 2.826 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE HA 1 7 ILE MD . . 4.400 3.806 3.783 3.815 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE HA 1 7 ILE HG12 . . 3.000 2.548 2.437 2.630 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE HA 1 7 ILE QG . . 2.570 2.331 2.287 2.382 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE HA 1 7 ILE HG13 . . 3.000 2.705 2.664 2.851 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE HA 1 7 ILE MG . . 3.400 2.456 2.287 2.610 . 0 0 "[ . 1 . 2]" 1
121 1 7 ILE HA 1 9 GLN H . . 4.200 4.263 4.177 4.280 0.080 10 0 "[ . 1 . 2]" 1
122 1 7 ILE HA 1 28 VAL QG . . 7.460 2.075 1.968 2.204 . 0 0 "[ . 1 . 2]" 1
123 1 7 ILE HB 1 8 ALA H . . 3.000 2.787 2.614 3.057 0.057 6 0 "[ . 1 . 2]" 1
124 1 7 ILE MD 1 8 ALA H . . 6.000 4.595 4.514 4.750 . 0 0 "[ . 1 . 2]" 1
125 1 7 ILE MD 1 28 VAL HA . . 5.800 4.850 4.654 4.911 . 0 0 "[ . 1 . 2]" 1
126 1 7 ILE QG 1 8 ALA H . . 5.880 4.253 4.194 4.329 . 0 0 "[ . 1 . 2]" 1
127 1 7 ILE MG 1 8 ALA H . . 4.800 3.412 3.172 3.757 . 0 0 "[ . 1 . 2]" 1
128 1 7 ILE MG 1 28 VAL HA . . 4.300 3.072 2.540 3.308 . 0 0 "[ . 1 . 2]" 1
129 1 8 ALA H 1 8 ALA MB . . 3.400 2.201 2.147 2.247 . 0 0 "[ . 1 . 2]" 1
130 1 8 ALA H 1 9 GLN H . . 3.200 2.557 2.410 2.692 . 0 0 "[ . 1 . 2]" 1
131 1 8 ALA HA 1 10 CYS H . . 4.100 3.976 3.671 4.165 0.065 8 0 "[ . 1 . 2]" 1
132 1 8 ALA MB 1 9 GLN H . . 3.400 2.515 2.327 2.725 . 0 0 "[ . 1 . 2]" 1
133 1 8 ALA MB 1 9 GLN QE . . 6.870 4.439 2.031 4.992 . 0 0 "[ . 1 . 2]" 1
134 1 8 ALA MB 1 9 GLN HG2 . . 6.000 3.734 2.767 4.687 . 0 0 "[ . 1 . 2]" 1
135 1 8 ALA MB 1 9 GLN HG3 . . 6.000 3.552 2.688 4.833 . 0 0 "[ . 1 . 2]" 1
136 1 8 ALA MB 1 10 CYS H . . 5.600 4.214 4.063 4.453 . 0 0 "[ . 1 . 2]" 1
137 1 9 GLN H 1 9 GLN HB2 . . 3.800 2.234 2.154 2.313 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLN H 1 9 GLN QB . . 3.220 2.210 2.132 2.285 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLN H 1 9 GLN HB3 . . 3.800 3.503 3.431 3.555 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLN H 1 9 GLN HG2 . . 4.200 3.280 2.335 4.083 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLN H 1 9 GLN QG . . 4.010 2.608 2.292 3.707 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLN H 1 9 GLN HG3 . . 4.200 3.005 2.565 4.251 0.051 10 0 "[ . 1 . 2]" 1
143 1 9 GLN H 1 10 CYS H . . 3.300 2.407 2.291 2.605 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLN HA 1 9 GLN QG . . 3.680 2.402 2.128 2.995 . 0 0 "[ . 1 . 2]" 1
145 1 9 GLN HA 1 10 CYS H . . 3.600 3.397 3.211 3.537 . 0 0 "[ . 1 . 2]" 1
146 1 10 CYS H 1 10 CYS HA . . 2.700 2.187 2.116 2.231 . 0 0 "[ . 1 . 2]" 1
147 1 10 CYS H 1 10 CYS HB3 . . 3.500 3.192 2.906 3.586 0.086 9 0 "[ . 1 . 2]" 1
148 1 10 CYS H 1 11 SER H . . 3.200 3.066 2.812 3.273 0.073 12 0 "[ . 1 . 2]" 1
149 1 10 CYS H 1 28 VAL MG1 . . 6.000 4.262 3.889 4.501 . 0 0 "[ . 1 . 2]" 1
150 1 10 CYS H 1 28 VAL QG . . 5.590 3.350 2.949 3.588 . 0 0 "[ . 1 . 2]" 1
151 1 10 CYS H 1 28 VAL MG2 . . 6.000 3.505 3.054 3.770 . 0 0 "[ . 1 . 2]" 1
152 1 10 CYS HA 1 10 CYS HB2 . . 3.000 2.592 2.498 2.896 . 0 0 "[ . 1 . 2]" 1
153 1 10 CYS HA 1 10 CYS HB3 . . 2.800 2.199 2.069 2.251 . 0 0 "[ . 1 . 2]" 1
154 1 10 CYS HA 1 11 SER H . . 3.300 2.292 2.133 2.426 . 0 0 "[ . 1 . 2]" 1
155 1 10 CYS HA 1 28 VAL MG1 . . 3.800 2.369 2.203 2.568 . 0 0 "[ . 1 . 2]" 1
156 1 10 CYS HA 1 28 VAL QG . . 3.300 1.990 1.928 2.045 . 0 0 "[ . 1 . 2]" 1
157 1 10 CYS HA 1 28 VAL MG2 . . 3.800 2.151 2.066 2.424 . 0 0 "[ . 1 . 2]" 1
158 1 10 CYS HB2 1 11 SER H . . 5.000 4.178 3.965 4.387 . 0 0 "[ . 1 . 2]" 1
159 1 10 CYS HB2 1 28 VAL QG . . 7.560 2.514 2.194 3.652 . 0 0 "[ . 1 . 2]" 1
160 1 10 CYS HB3 1 11 SER H . . 5.000 4.360 4.171 4.480 . 0 0 "[ . 1 . 2]" 1
161 1 10 CYS HB3 1 28 VAL QG . . 7.560 2.827 2.128 3.180 . 0 0 "[ . 1 . 2]" 1
162 1 11 SER H 1 11 SER HB2 . . 3.200 3.217 3.093 3.275 0.075 18 0 "[ . 1 . 2]" 1
163 1 11 SER H 1 11 SER HB3 . . 2.800 2.659 2.503 2.814 0.014 4 0 "[ . 1 . 2]" 1
164 1 11 SER H 1 12 LEU H . . 4.200 4.131 3.881 4.249 0.049 2 0 "[ . 1 . 2]" 1
165 1 11 SER H 1 28 VAL MG1 . . 4.700 2.947 2.639 3.146 . 0 0 "[ . 1 . 2]" 1
166 1 11 SER H 1 28 VAL QG . . 4.230 2.361 2.086 2.698 . 0 0 "[ . 1 . 2]" 1
167 1 11 SER H 1 28 VAL MG2 . . 4.700 2.498 2.162 2.959 . 0 0 "[ . 1 . 2]" 1
168 1 11 SER H 1 36 TRP HD1 . . 5.000 5.077 5.065 5.088 0.088 12 0 "[ . 1 . 2]" 1
169 1 11 SER HA 1 11 SER HB2 . . 2.800 2.450 2.351 2.542 . 0 0 "[ . 1 . 2]" 1
170 1 11 SER HA 1 12 LEU H . . 2.700 2.183 2.108 2.241 . 0 0 "[ . 1 . 2]" 1
171 1 11 SER HA 1 13 THR H . . 4.100 3.649 3.276 4.008 . 0 0 "[ . 1 . 2]" 1
172 1 11 SER HB2 1 14 LEU H . . 5.000 4.017 3.581 4.618 . 0 0 "[ . 1 . 2]" 1
173 1 11 SER HB2 1 28 VAL QG . . 7.560 4.501 4.285 4.704 . 0 0 "[ . 1 . 2]" 1
174 1 11 SER HB3 1 12 LEU H . . 5.000 4.401 4.282 4.490 . 0 0 "[ . 1 . 2]" 1
175 1 11 SER HB3 1 14 LEU H . . 3.400 2.935 2.518 3.366 . 0 0 "[ . 1 . 2]" 1
176 1 11 SER HB3 1 28 VAL QG . . 6.060 4.078 3.824 4.410 . 0 0 "[ . 1 . 2]" 1
177 1 12 LEU H 1 12 LEU HB2 . . 3.600 2.488 2.394 2.663 . 0 0 "[ . 1 . 2]" 1
178 1 12 LEU H 1 12 LEU QB . . 3.100 2.447 2.360 2.599 . 0 0 "[ . 1 . 2]" 1
179 1 12 LEU H 1 12 LEU HB3 . . 3.600 3.617 3.578 3.654 0.054 8 0 "[ . 1 . 2]" 1
180 1 12 LEU H 1 12 LEU HG . . 3.300 2.552 2.182 3.354 0.054 20 0 "[ . 1 . 2]" 1
181 1 12 LEU H 1 13 THR H . . 3.200 2.566 2.325 2.811 . 0 0 "[ . 1 . 2]" 1
182 1 12 LEU H 1 28 VAL MG1 . . 6.000 3.105 2.720 3.793 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU H 1 28 VAL QG . . 5.300 3.024 2.661 3.657 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU H 1 28 VAL MG2 . . 6.000 4.192 3.767 4.818 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU HA 1 12 LEU HB2 . . 3.000 3.033 3.004 3.059 0.059 10 0 "[ . 1 . 2]" 1
186 1 12 LEU HA 1 12 LEU HB3 . . 3.000 2.446 2.359 2.497 . 0 0 "[ . 1 . 2]" 1
187 1 12 LEU HA 1 12 LEU MD1 . . 4.400 3.676 3.305 3.812 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU HA 1 12 LEU QD . . 3.610 2.202 1.965 3.052 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU HA 1 12 LEU MD2 . . 4.400 2.278 1.975 3.587 . 0 0 "[ . 1 . 2]" 1
190 1 12 LEU HA 1 12 LEU HG . . 3.500 3.088 2.318 3.552 0.052 8 0 "[ . 1 . 2]" 1
191 1 12 LEU HA 1 15 CYS H . . 3.300 3.214 2.969 3.374 0.074 17 0 "[ . 1 . 2]" 1
192 1 12 LEU HA 1 28 VAL QG . . 6.660 2.865 2.570 3.369 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU QB 1 13 THR H . . 3.500 2.802 2.550 2.977 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU QB 1 28 VAL QG . . 8.140 3.783 3.602 4.234 . 0 0 "[ . 1 . 2]" 1
195 1 12 LEU HB2 1 13 THR H . . 3.900 2.880 2.616 3.082 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU HB3 1 13 THR H . . 3.900 3.846 3.532 3.969 0.069 14 0 "[ . 1 . 2]" 1
197 1 12 LEU QD 1 13 THR H . . 7.570 4.175 3.712 4.337 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU QD 1 25 GLU H . . 7.570 4.221 3.970 4.917 . 0 0 "[ . 1 . 2]" 1
199 1 12 LEU QD 1 25 GLU HA . . 4.970 2.197 1.960 3.288 . 0 0 "[ . 1 . 2]" 1
200 1 12 LEU QD 1 28 VAL H . . 7.570 4.079 3.809 5.064 . 0 0 "[ . 1 . 2]" 1
201 1 12 LEU QD 1 29 LYS H . . 5.390 3.319 3.071 4.027 . 0 0 "[ . 1 . 2]" 1
202 1 12 LEU QD 1 29 LYS QG . . 6.180 2.793 2.018 3.818 . 0 0 "[ . 1 . 2]" 1
203 1 12 LEU QD 1 29 LYS QZ . . 7.570 3.495 2.192 4.695 . 0 0 "[ . 1 . 2]" 1
204 1 12 LEU QD 1 36 TRP QB . . 6.190 3.176 2.013 4.260 . 0 0 "[ . 1 . 2]" 1
205 1 12 LEU QD 1 36 TRP HD1 . . 7.570 4.372 3.675 4.782 . 0 0 "[ . 1 . 2]" 1
206 1 12 LEU QD 1 36 TRP HE3 . . 4.690 2.686 2.197 3.498 . 0 0 "[ . 1 . 2]" 1
207 1 12 LEU MD1 1 29 LYS H . . 6.000 4.799 4.284 4.902 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU MD1 1 29 LYS HG2 . . 7.450 4.054 2.988 5.773 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU MD1 1 29 LYS HG3 . . 7.450 3.725 2.740 4.536 . 0 0 "[ . 1 . 2]" 1
210 1 12 LEU MD1 1 36 TRP QB . . 7.000 3.418 2.016 4.909 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU MD1 1 36 TRP HE3 . . 6.000 2.731 2.204 3.735 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU MD2 1 29 LYS H . . 6.000 3.447 3.103 4.702 . 0 0 "[ . 1 . 2]" 1
213 1 12 LEU MD2 1 29 LYS HG2 . . 7.450 3.927 2.233 5.696 . 0 0 "[ . 1 . 2]" 1
214 1 12 LEU MD2 1 29 LYS HG3 . . 7.450 3.248 2.113 4.494 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU MD2 1 36 TRP QB . . 7.000 4.225 3.302 4.954 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU MD2 1 36 TRP HE3 . . 6.000 4.322 3.688 4.988 . 0 0 "[ . 1 . 2]" 1
217 1 12 LEU HG 1 13 THR H . . 5.000 4.568 4.239 5.039 0.039 12 0 "[ . 1 . 2]" 1
218 1 12 LEU HG 1 36 TRP QB . . 4.700 3.308 2.047 4.304 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU HG 1 36 TRP HE3 . . 5.000 3.803 2.587 5.076 0.076 11 0 "[ . 1 . 2]" 1
220 1 13 THR H 1 13 THR HB . . 3.200 2.631 2.406 2.967 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR H 1 14 LEU H . . 3.400 2.851 2.639 3.009 . 0 0 "[ . 1 . 2]" 1
222 1 13 THR HA 1 13 THR HB . . 3.000 3.042 3.004 3.057 0.057 12 0 "[ . 1 . 2]" 1
223 1 13 THR HA 1 13 THR MG . . 3.600 2.356 2.204 2.510 . 0 0 "[ . 1 . 2]" 1
224 1 13 THR HA 1 15 CYS H . . 3.900 3.974 3.954 3.984 0.084 12 0 "[ . 1 . 2]" 1
225 1 13 THR HA 1 16 GLN H . . 3.700 3.654 3.357 3.777 0.077 4 0 "[ . 1 . 2]" 1
226 1 13 THR HB 1 14 LEU H . . 3.400 2.636 2.315 2.871 . 0 0 "[ . 1 . 2]" 1
227 1 13 THR MG 1 14 LEU H . . 6.000 3.646 3.267 3.997 . 0 0 "[ . 1 . 2]" 1
228 1 13 THR MG 1 16 GLN QE . . 6.870 4.075 2.370 5.034 . 0 0 "[ . 1 . 2]" 1
229 1 14 LEU H 1 14 LEU HB2 . . 3.500 2.211 2.026 2.464 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU H 1 14 LEU QB . . 3.050 2.085 1.996 2.200 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU H 1 14 LEU HB3 . . 3.500 2.730 2.276 3.035 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU H 1 14 LEU HG . . 4.100 4.102 3.910 4.195 0.095 10 0 "[ . 1 . 2]" 1
233 1 14 LEU H 1 15 CYS H . . 3.300 2.635 2.433 2.778 . 0 0 "[ . 1 . 2]" 1
234 1 14 LEU HA 1 14 LEU MD1 . . 4.400 3.068 2.052 3.775 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU HA 1 14 LEU QD . . 3.610 2.270 1.954 2.873 . 0 0 "[ . 1 . 2]" 1
236 1 14 LEU HA 1 14 LEU MD2 . . 4.400 2.954 1.965 3.786 . 0 0 "[ . 1 . 2]" 1
237 1 14 LEU HA 1 14 LEU HG . . 3.700 2.698 2.171 3.506 . 0 0 "[ . 1 . 2]" 1
238 1 14 LEU HA 1 16 GLN H . . 3.700 3.665 3.490 3.765 0.065 4 0 "[ . 1 . 2]" 1
239 1 14 LEU HA 1 17 ASP H . . 3.700 3.578 3.332 3.726 0.026 4 0 "[ . 1 . 2]" 1
240 1 14 LEU QB 1 15 CYS H . . 4.010 3.093 2.878 3.223 . 0 0 "[ . 1 . 2]" 1
241 1 14 LEU HB2 1 14 LEU MD1 . . 3.600 2.335 2.126 3.093 . 0 0 "[ . 1 . 2]" 1
242 1 14 LEU HB2 1 14 LEU MD2 . . 3.600 2.820 2.243 3.155 . 0 0 "[ . 1 . 2]" 1
243 1 14 LEU HB2 1 15 CYS H . . 4.300 3.979 3.674 4.267 . 0 0 "[ . 1 . 2]" 1
244 1 14 LEU HB3 1 14 LEU MD1 . . 3.600 2.689 2.183 3.149 . 0 0 "[ . 1 . 2]" 1
245 1 14 LEU HB3 1 14 LEU MD2 . . 3.600 2.413 2.221 3.136 . 0 0 "[ . 1 . 2]" 1
246 1 14 LEU HB3 1 15 CYS H . . 4.300 3.232 2.941 3.418 . 0 0 "[ . 1 . 2]" 1
247 1 15 CYS H 1 15 CYS HB2 . . 4.100 2.389 2.229 2.567 . 0 0 "[ . 1 . 2]" 1
248 1 15 CYS H 1 15 CYS QB . . 3.440 2.357 2.205 2.517 . 0 0 "[ . 1 . 2]" 1
249 1 15 CYS H 1 15 CYS HB3 . . 4.100 3.602 3.504 3.654 . 0 0 "[ . 1 . 2]" 1
250 1 15 CYS H 1 16 GLN H . . 3.200 2.712 2.545 2.917 . 0 0 "[ . 1 . 2]" 1
251 1 15 CYS HA 1 17 ASP H . . 4.000 3.651 3.393 4.034 0.034 6 0 "[ . 1 . 2]" 1
252 1 15 CYS HA 1 18 CYS H . . 3.300 3.154 2.895 3.355 0.055 17 0 "[ . 1 . 2]" 1
253 1 15 CYS QB 1 16 GLN H . . 4.680 3.081 2.866 3.256 . 0 0 "[ . 1 . 2]" 1
254 1 15 CYS QB 1 21 THR HA . . 4.380 2.839 2.334 3.468 . 0 0 "[ . 1 . 2]" 1
255 1 15 CYS QB 1 21 THR MG . . 4.330 2.637 2.282 3.047 . 0 0 "[ . 1 . 2]" 1
256 1 15 CYS QB 1 25 GLU H . . 5.880 3.396 3.159 3.622 . 0 0 "[ . 1 . 2]" 1
257 1 15 CYS QB 1 28 VAL QG . . 8.140 3.596 2.928 3.980 . 0 0 "[ . 1 . 2]" 1
258 1 15 CYS HB2 1 21 THR MG . . 4.800 3.336 2.624 3.962 . 0 0 "[ . 1 . 2]" 1
259 1 15 CYS HB3 1 21 THR MG . . 4.800 2.784 2.347 3.273 . 0 0 "[ . 1 . 2]" 1
260 1 16 GLN H 1 16 GLN HB2 . . 3.700 2.485 2.291 2.685 . 0 0 "[ . 1 . 2]" 1
261 1 16 GLN H 1 16 GLN QB . . 3.210 2.441 2.262 2.620 . 0 0 "[ . 1 . 2]" 1
262 1 16 GLN H 1 16 GLN HB3 . . 3.700 3.591 3.512 3.652 . 0 0 "[ . 1 . 2]" 1
263 1 16 GLN H 1 16 GLN HG2 . . 3.900 3.155 2.088 3.939 0.039 15 0 "[ . 1 . 2]" 1
264 1 16 GLN H 1 16 GLN QG . . 3.370 2.299 2.044 3.063 . 0 0 "[ . 1 . 2]" 1
265 1 16 GLN H 1 16 GLN HG3 . . 3.900 2.590 2.061 3.771 . 0 0 "[ . 1 . 2]" 1
266 1 16 GLN H 1 17 ASP H . . 3.100 2.775 2.632 3.064 . 0 0 "[ . 1 . 2]" 1
267 1 16 GLN H 1 21 THR MG . . 6.000 3.479 2.905 3.945 . 0 0 "[ . 1 . 2]" 1
268 1 16 GLN HA 1 18 CYS H . . 4.200 3.789 3.425 4.072 . 0 0 "[ . 1 . 2]" 1
269 1 16 GLN HA 1 21 THR MG . . 3.500 2.215 2.013 2.472 . 0 0 "[ . 1 . 2]" 1
270 1 16 GLN QB 1 17 ASP H . . 4.180 3.174 2.613 3.464 . 0 0 "[ . 1 . 2]" 1
271 1 16 GLN HB2 1 17 ASP H . . 4.700 3.304 2.668 3.627 . 0 0 "[ . 1 . 2]" 1
272 1 16 GLN HB3 1 17 ASP H . . 4.700 4.129 3.655 4.396 . 0 0 "[ . 1 . 2]" 1
273 1 16 GLN QE 1 21 THR MG . . 5.410 3.604 2.093 4.126 . 0 0 "[ . 1 . 2]" 1
274 1 16 GLN HE21 1 21 THR MG . . 6.000 3.912 2.824 4.891 . 0 0 "[ . 1 . 2]" 1
275 1 16 GLN HE22 1 21 THR MG . . 6.000 4.564 2.157 5.119 . 0 0 "[ . 1 . 2]" 1
276 1 17 ASP H 1 17 ASP HB2 . . 3.800 2.396 2.315 2.531 . 0 0 "[ . 1 . 2]" 1
277 1 17 ASP H 1 17 ASP QB . . 3.220 2.362 2.287 2.486 . 0 0 "[ . 1 . 2]" 1
278 1 17 ASP H 1 17 ASP HB3 . . 3.800 3.590 3.538 3.646 . 0 0 "[ . 1 . 2]" 1
279 1 17 ASP H 1 18 CYS H . . 2.800 2.426 2.222 2.705 . 0 0 "[ . 1 . 2]" 1
280 1 17 ASP HB2 1 18 CYS H . . 4.200 3.070 2.681 3.480 . 0 0 "[ . 1 . 2]" 1
281 1 17 ASP HB3 1 18 CYS H . . 4.200 3.831 3.468 4.215 0.015 13 0 "[ . 1 . 2]" 1
282 1 18 CYS H 1 18 CYS HB2 . . 3.100 2.757 2.645 2.937 . 0 0 "[ . 1 . 2]" 1
283 1 18 CYS H 1 18 CYS HB3 . . 2.700 2.493 2.368 2.603 . 0 0 "[ . 1 . 2]" 1
284 1 18 CYS HA 1 18 CYS HB2 . . 2.700 2.414 2.315 2.505 . 0 0 "[ . 1 . 2]" 1
285 1 18 CYS HA 1 19 GLU H . . 2.600 2.199 2.087 2.340 . 0 0 "[ . 1 . 2]" 1
286 1 18 CYS HA 1 20 ASN H . . 4.500 4.563 4.462 4.584 0.084 9 0 "[ . 1 . 2]" 1
287 1 18 CYS HB2 1 19 GLU H . . 4.400 4.030 3.820 4.275 . 0 0 "[ . 1 . 2]" 1
288 1 18 CYS HB3 1 19 GLU H . . 5.000 4.043 3.765 4.262 . 0 0 "[ . 1 . 2]" 1
289 1 19 GLU H 1 19 GLU HB2 . . 3.100 2.415 2.145 2.745 . 0 0 "[ . 1 . 2]" 1
290 1 19 GLU H 1 19 GLU HB3 . . 2.800 2.474 2.169 2.813 0.013 6 0 "[ . 1 . 2]" 1
291 1 19 GLU H 1 20 ASN H . . 3.400 3.204 2.901 3.400 . 0 0 "[ . 1 . 2]" 1
292 1 19 GLU HA 1 19 GLU HB2 . . 2.800 2.394 2.264 2.513 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLU HA 1 19 GLU HB3 . . 2.900 2.983 2.967 2.989 0.089 16 0 "[ . 1 . 2]" 1
294 1 19 GLU HB2 1 20 ASN H . . 4.400 3.726 3.572 4.032 . 0 0 "[ . 1 . 2]" 1
295 1 19 GLU HB3 1 20 ASN H . . 3.900 2.258 2.019 2.742 . 0 0 "[ . 1 . 2]" 1
296 1 19 GLU QG 1 20 ASN H . . 5.900 3.252 2.568 4.077 . 0 0 "[ . 1 . 2]" 1
297 1 20 ASN H 1 20 ASN HB2 . . 3.500 3.586 3.571 3.597 0.097 20 0 "[ . 1 . 2]" 1
298 1 20 ASN H 1 20 ASN QB . . 3.290 2.801 2.529 2.987 . 0 0 "[ . 1 . 2]" 1
299 1 20 ASN H 1 20 ASN HB3 . . 3.500 2.931 2.586 3.195 . 0 0 "[ . 1 . 2]" 1
300 1 20 ASN H 1 21 THR H . . 4.400 3.708 3.401 4.438 0.038 7 0 "[ . 1 . 2]" 1
301 1 20 ASN HA 1 21 THR H . . 2.800 2.419 2.254 2.610 . 0 0 "[ . 1 . 2]" 1
302 1 20 ASN QB 1 23 ILE H . . 4.880 3.101 2.339 3.688 . 0 0 "[ . 1 . 2]" 1
303 1 20 ASN QB 1 23 ILE HB . . 4.280 2.419 2.140 3.453 . 0 0 "[ . 1 . 2]" 1
304 1 20 ASN QB 1 23 ILE MD . . 6.680 3.517 2.210 4.610 . 0 0 "[ . 1 . 2]" 1
305 1 20 ASN QB 1 23 ILE MG . . 6.080 3.576 3.265 4.603 . 0 0 "[ . 1 . 2]" 1
306 1 20 ASN QD 1 23 ILE HB . . 5.870 2.673 1.844 3.961 . 0 0 "[ . 1 . 2]" 1
307 1 20 ASN QD 1 23 ILE QG . . 5.250 3.544 2.439 4.228 . 0 0 "[ . 1 . 2]" 1
308 1 20 ASN HD21 1 23 ILE MD . . 6.000 4.464 3.412 5.062 . 0 0 "[ . 1 . 2]" 1
309 1 20 ASN HD21 1 23 ILE HG12 . . 6.730 4.610 2.913 6.063 . 0 0 "[ . 1 . 2]" 1
310 1 20 ASN HD21 1 23 ILE HG13 . . 6.730 4.422 2.547 6.313 . 0 0 "[ . 1 . 2]" 1
311 1 20 ASN HD21 1 23 ILE MG . . 6.000 3.105 2.255 4.590 . 0 0 "[ . 1 . 2]" 1
312 1 20 ASN HD22 1 23 ILE MD . . 6.000 4.863 4.139 5.017 . 0 0 "[ . 1 . 2]" 1
313 1 20 ASN HD22 1 23 ILE HG12 . . 6.730 5.244 3.504 6.391 . 0 0 "[ . 1 . 2]" 1
314 1 20 ASN HD22 1 23 ILE HG13 . . 6.730 4.912 3.526 6.050 . 0 0 "[ . 1 . 2]" 1
315 1 20 ASN HD22 1 23 ILE MG . . 6.000 2.739 2.134 4.008 . 0 0 "[ . 1 . 2]" 1
316 1 21 THR H 1 21 THR HB . . 3.200 2.851 2.539 3.270 0.070 7 0 "[ . 1 . 2]" 1
317 1 21 THR H 1 22 PRO HD2 . . 4.000 2.829 2.044 3.118 . 0 0 "[ . 1 . 2]" 1
318 1 21 THR H 1 22 PRO QD . . 3.610 2.752 2.017 3.023 . 0 0 "[ . 1 . 2]" 1
319 1 21 THR H 1 22 PRO HD3 . . 4.000 3.794 3.077 4.059 0.059 12 0 "[ . 1 . 2]" 1
320 1 21 THR HA 1 21 THR HB . . 2.900 2.965 2.784 2.982 0.082 3 0 "[ . 1 . 2]" 1
321 1 21 THR HA 1 21 THR MG . . 3.500 2.294 2.127 2.474 . 0 0 "[ . 1 . 2]" 1
322 1 21 THR HA 1 24 CYS H . . 4.600 3.661 3.363 4.241 . 0 0 "[ . 1 . 2]" 1
323 1 21 THR MG 1 22 PRO HA . . 5.700 3.836 3.374 4.783 . 0 0 "[ . 1 . 2]" 1
324 1 21 THR MG 1 25 GLU H . . 6.000 4.126 3.828 4.834 . 0 0 "[ . 1 . 2]" 1
325 1 21 THR MG 1 25 GLU QB . . 6.880 4.215 3.934 5.024 . 0 0 "[ . 1 . 2]" 1
326 1 21 THR MG 1 25 GLU QG . . 4.780 2.609 2.267 3.327 . 0 0 "[ . 1 . 2]" 1
327 1 22 PRO HA 1 24 CYS H . . 4.200 4.253 4.182 4.269 0.069 3 0 "[ . 1 . 2]" 1
328 1 22 PRO HA 1 25 GLU H . . 3.000 3.053 2.753 3.085 0.085 6 0 "[ . 1 . 2]" 1
329 1 22 PRO HA 1 25 GLU HB2 . . 3.400 2.045 2.014 2.106 . 0 0 "[ . 1 . 2]" 1
330 1 22 PRO HA 1 25 GLU QB . . 3.130 2.032 2.002 2.089 . 0 0 "[ . 1 . 2]" 1
331 1 22 PRO HA 1 25 GLU HB3 . . 3.400 3.491 3.487 3.494 0.094 13 0 "[ . 1 . 2]" 1
332 1 22 PRO QB 1 23 ILE H . . 4.170 3.344 3.144 3.605 . 0 0 "[ . 1 . 2]" 1
333 1 22 PRO QD 1 23 ILE H . . 4.270 2.982 2.715 3.382 . 0 0 "[ . 1 . 2]" 1
334 1 22 PRO QD 1 24 CYS H . . 5.880 4.353 4.112 4.661 . 0 0 "[ . 1 . 2]" 1
335 1 22 PRO HD2 1 23 ILE H . . 5.000 3.064 2.768 3.514 . 0 0 "[ . 1 . 2]" 1
336 1 22 PRO HD3 1 23 ILE H . . 5.000 4.107 3.920 4.404 . 0 0 "[ . 1 . 2]" 1
337 1 22 PRO QG 1 23 ILE H . . 5.370 2.495 2.253 2.781 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE H 1 23 ILE HB . . 2.600 2.265 2.164 2.533 . 0 0 "[ . 1 . 2]" 1
339 1 23 ILE H 1 23 ILE HG12 . . 3.900 3.019 2.240 3.874 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE H 1 23 ILE QG . . 3.550 2.790 2.222 3.325 . 0 0 "[ . 1 . 2]" 1
341 1 23 ILE H 1 23 ILE HG13 . . 3.900 3.538 2.691 3.837 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE H 1 24 CYS H . . 2.900 2.462 2.305 2.696 . 0 0 "[ . 1 . 2]" 1
343 1 23 ILE H 1 25 GLU H . . 5.000 3.990 3.738 4.207 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE HA 1 23 ILE HB . . 2.900 2.969 2.947 2.984 0.084 7 0 "[ . 1 . 2]" 1
345 1 23 ILE HA 1 23 ILE MD . . 3.800 2.490 2.059 3.121 . 0 0 "[ . 1 . 2]" 1
346 1 23 ILE HA 1 23 ILE HG12 . . 3.500 2.948 2.410 3.582 0.082 18 0 "[ . 1 . 2]" 1
347 1 23 ILE HA 1 23 ILE QG . . 3.090 2.465 2.292 2.861 . 0 0 "[ . 1 . 2]" 1
348 1 23 ILE HA 1 23 ILE HG13 . . 3.500 3.149 2.320 3.594 0.094 8 0 "[ . 1 . 2]" 1
349 1 23 ILE HA 1 23 ILE MG . . 3.400 2.557 2.347 2.700 . 0 0 "[ . 1 . 2]" 1
350 1 23 ILE HA 1 25 GLU H . . 4.700 4.565 4.308 4.677 . 0 0 "[ . 1 . 2]" 1
351 1 23 ILE HA 1 26 LEU H . . 3.700 3.445 3.261 3.742 0.042 5 0 "[ . 1 . 2]" 1
352 1 23 ILE HA 1 26 LEU HB2 . . 3.200 3.261 3.214 3.276 0.076 4 0 "[ . 1 . 2]" 1
353 1 23 ILE HA 1 26 LEU HB3 . . 3.200 2.806 2.502 3.224 0.024 13 0 "[ . 1 . 2]" 1
354 1 23 ILE HB 1 23 ILE QG . . 2.640 2.220 2.118 2.404 . 0 0 "[ . 1 . 2]" 1
355 1 23 ILE HB 1 24 CYS H . . 3.200 2.703 2.514 2.908 . 0 0 "[ . 1 . 2]" 1
356 1 23 ILE MD 1 24 CYS H . . 6.000 4.551 3.849 5.071 . 0 0 "[ . 1 . 2]" 1
357 1 23 ILE QG 1 24 CYS H . . 5.880 4.257 3.907 4.589 . 0 0 "[ . 1 . 2]" 1
358 1 23 ILE MG 1 24 CYS H . . 4.600 3.267 2.910 3.590 . 0 0 "[ . 1 . 2]" 1
359 1 24 CYS H 1 24 CYS HB2 . . 2.900 2.550 2.327 2.822 . 0 0 "[ . 1 . 2]" 1
360 1 24 CYS H 1 24 CYS HB3 . . 2.700 2.501 2.359 2.741 0.041 14 0 "[ . 1 . 2]" 1
361 1 24 CYS H 1 25 GLU H . . 3.300 2.670 2.569 2.780 . 0 0 "[ . 1 . 2]" 1
362 1 24 CYS HA 1 24 CYS HB2 . . 2.800 2.416 2.270 2.560 . 0 0 "[ . 1 . 2]" 1
363 1 24 CYS HA 1 27 ALA H . . 3.800 3.400 3.223 3.671 . 0 0 "[ . 1 . 2]" 1
364 1 24 CYS HA 1 27 ALA MB . . 3.800 2.587 2.242 2.854 . 0 0 "[ . 1 . 2]" 1
365 1 24 CYS HA 1 28 VAL H . . 5.000 3.975 3.783 4.134 . 0 0 "[ . 1 . 2]" 1
366 1 24 CYS HB2 1 25 GLU H . . 4.000 3.878 3.623 4.058 0.058 10 0 "[ . 1 . 2]" 1
367 1 25 GLU H 1 25 GLU HA . . 2.800 2.791 2.756 2.819 0.019 16 0 "[ . 1 . 2]" 1
368 1 25 GLU H 1 25 GLU HB2 . . 3.800 2.268 2.153 2.548 . 0 0 "[ . 1 . 2]" 1
369 1 25 GLU H 1 25 GLU QB . . 3.260 2.240 2.132 2.499 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLU H 1 25 GLU HB3 . . 3.800 3.487 3.430 3.614 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLU H 1 25 GLU HG2 . . 4.300 3.519 3.323 3.804 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLU H 1 25 GLU QG . . 3.560 2.442 2.219 2.788 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLU H 1 25 GLU HG3 . . 4.300 2.503 2.247 2.987 . 0 0 "[ . 1 . 2]" 1
374 1 25 GLU H 1 26 LEU H . . 3.300 2.781 2.615 2.879 . 0 0 "[ . 1 . 2]" 1
375 1 25 GLU HA 1 25 GLU QG . . 3.590 2.378 2.218 2.564 . 0 0 "[ . 1 . 2]" 1
376 1 25 GLU HA 1 27 ALA H . . 5.000 4.631 4.453 4.835 . 0 0 "[ . 1 . 2]" 1
377 1 25 GLU HA 1 28 VAL H . . 3.800 3.496 3.340 3.653 . 0 0 "[ . 1 . 2]" 1
378 1 25 GLU HA 1 28 VAL HB . . 3.000 2.528 2.374 2.704 . 0 0 "[ . 1 . 2]" 1
379 1 25 GLU QB 1 26 LEU H . . 3.660 2.401 2.260 2.572 . 0 0 "[ . 1 . 2]" 1
380 1 25 GLU HB2 1 26 LEU H . . 4.100 2.472 2.323 2.698 . 0 0 "[ . 1 . 2]" 1
381 1 25 GLU HB3 1 26 LEU H . . 4.100 3.273 3.052 3.556 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU H 1 26 LEU HB2 . . 3.400 2.328 2.167 2.449 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU H 1 26 LEU QB . . 2.940 2.171 2.096 2.225 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU H 1 26 LEU HB3 . . 3.400 2.623 2.481 2.826 . 0 0 "[ . 1 . 2]" 1
385 1 26 LEU H 1 26 LEU HG . . 4.400 4.387 4.203 4.471 0.071 19 0 "[ . 1 . 2]" 1
386 1 26 LEU H 1 27 ALA H . . 3.300 2.801 2.715 2.880 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU HA 1 26 LEU MD1 . . 4.200 3.245 2.061 3.591 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU HA 1 26 LEU QD . . 3.740 2.515 1.957 3.085 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU HA 1 26 LEU MD2 . . 4.200 2.836 1.971 3.614 . 0 0 "[ . 1 . 2]" 1
390 1 26 LEU HA 1 26 LEU HG . . 3.400 2.892 2.244 3.495 0.095 20 0 "[ . 1 . 2]" 1
391 1 26 LEU HA 1 28 VAL H . . 4.900 4.545 4.341 4.707 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU HA 1 29 LYS H . . 3.500 3.559 3.475 3.583 0.083 14 0 "[ . 1 . 2]" 1
393 1 26 LEU HA 1 29 LYS QB . . 3.980 2.730 2.393 2.986 . 0 0 "[ . 1 . 2]" 1
394 1 26 LEU QB 1 27 ALA H . . 3.790 2.476 2.352 2.627 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU HB2 1 27 ALA H . . 4.400 3.747 3.639 3.884 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU HB3 1 27 ALA H . . 4.400 2.513 2.380 2.675 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU MD1 1 27 ALA H . . 6.000 4.139 3.036 4.900 . 0 0 "[ . 1 . 2]" 1
398 1 26 LEU MD2 1 27 ALA H . . 6.000 3.867 3.001 4.703 . 0 0 "[ . 1 . 2]" 1
399 1 27 ALA H 1 27 ALA MB . . 3.400 2.227 2.196 2.260 . 0 0 "[ . 1 . 2]" 1
400 1 27 ALA H 1 28 VAL H . . 3.300 2.776 2.689 2.866 . 0 0 "[ . 1 . 2]" 1
401 1 27 ALA HA 1 28 VAL H . . 3.600 3.590 3.555 3.620 0.020 5 0 "[ . 1 . 2]" 1
402 1 27 ALA HA 1 30 GLY H . . 3.500 3.244 2.979 3.540 0.040 2 0 "[ . 1 . 2]" 1
403 1 27 ALA MB 1 28 VAL H . . 3.400 2.593 2.413 2.731 . 0 0 "[ . 1 . 2]" 1
404 1 27 ALA MB 1 30 GLY H . . 6.000 4.405 4.234 4.544 . 0 0 "[ . 1 . 2]" 1
405 1 28 VAL H 1 28 VAL HB . . 2.700 2.293 2.234 2.362 . 0 0 "[ . 1 . 2]" 1
406 1 28 VAL H 1 28 VAL QG . . 3.920 2.410 2.232 2.585 . 0 0 "[ . 1 . 2]" 1
407 1 28 VAL H 1 29 LYS H . . 3.300 2.895 2.762 3.056 . 0 0 "[ . 1 . 2]" 1
408 1 28 VAL HA 1 28 VAL HB . . 2.900 2.979 2.973 2.984 0.084 16 0 "[ . 1 . 2]" 1
409 1 28 VAL HA 1 28 VAL MG1 . . 3.400 2.556 2.504 2.643 . 0 0 "[ . 1 . 2]" 1
410 1 28 VAL HA 1 28 VAL MG2 . . 3.400 2.254 2.134 2.357 . 0 0 "[ . 1 . 2]" 1
411 1 28 VAL HA 1 31 SER H . . 3.300 3.190 2.974 3.369 0.069 16 0 "[ . 1 . 2]" 1
412 1 28 VAL HA 1 32 CYS H . . 4.100 3.944 3.492 4.160 0.060 2 0 "[ . 1 . 2]" 1
413 1 28 VAL HB 1 29 LYS H . . 2.800 2.678 2.453 2.846 0.046 8 0 "[ . 1 . 2]" 1
414 1 28 VAL QG 1 29 LYS H . . 4.540 2.932 2.612 3.075 . 0 0 "[ . 1 . 2]" 1
415 1 28 VAL QG 1 29 LYS HA . . 5.560 3.338 3.083 3.542 . 0 0 "[ . 1 . 2]" 1
416 1 28 VAL QG 1 32 CYS H . . 7.460 3.772 3.453 3.983 . 0 0 "[ . 1 . 2]" 1
417 1 28 VAL QG 1 36 TRP QB . . 8.260 3.248 2.373 4.023 . 0 0 "[ . 1 . 2]" 1
418 1 28 VAL QG 1 36 TRP HD1 . . 4.700 2.633 2.234 2.924 . 0 0 "[ . 1 . 2]" 1
419 1 28 VAL QG 1 36 TRP HE3 . . 7.560 4.607 4.156 5.014 . 0 0 "[ . 1 . 2]" 1
420 1 28 VAL QG 1 36 TRP NE1 . . 7.260 2.602 2.236 3.072 . 0 0 "[ . 1 . 2]" 1
421 1 28 VAL MG1 1 29 LYS H . . 4.900 3.008 2.642 3.174 . 0 0 "[ . 1 . 2]" 1
422 1 28 VAL MG1 1 36 TRP HD1 . . 6.000 2.646 2.240 2.946 . 0 0 "[ . 1 . 2]" 1
423 1 28 VAL MG2 1 29 LYS H . . 4.900 4.089 3.907 4.199 . 0 0 "[ . 1 . 2]" 1
424 1 28 VAL MG2 1 36 TRP HD1 . . 6.000 4.784 4.456 4.966 . 0 0 "[ . 1 . 2]" 1
425 1 29 LYS H 1 29 LYS HB2 . . 3.400 2.251 2.017 2.573 . 0 0 "[ . 1 . 2]" 1
426 1 29 LYS H 1 29 LYS QB . . 3.080 2.219 1.986 2.510 . 0 0 "[ . 1 . 2]" 1
427 1 29 LYS H 1 29 LYS HB3 . . 3.400 3.389 2.945 3.492 0.092 8 0 "[ . 1 . 2]" 1
428 1 29 LYS H 1 29 LYS QD . . 6.000 4.013 3.241 4.885 . 0 0 "[ . 1 . 2]" 1
429 1 29 LYS H 1 29 LYS QG . . 3.780 2.671 2.052 3.527 . 0 0 "[ . 1 . 2]" 1
430 1 29 LYS H 1 30 GLY H . . 3.200 2.762 2.578 3.098 . 0 0 "[ . 1 . 2]" 1
431 1 29 LYS HA 1 29 LYS HG2 . . 4.100 2.440 2.064 2.870 . 0 0 "[ . 1 . 2]" 1
432 1 29 LYS HA 1 29 LYS QG . . 3.570 2.312 2.036 2.802 . 0 0 "[ . 1 . 2]" 1
433 1 29 LYS HA 1 29 LYS HG3 . . 4.100 3.045 2.101 3.917 . 0 0 "[ . 1 . 2]" 1
434 1 29 LYS HA 1 32 CYS H . . 4.500 3.753 3.261 4.088 . 0 0 "[ . 1 . 2]" 1
435 1 29 LYS HA 1 36 TRP HD1 . . 5.000 4.845 3.957 5.086 0.086 8 0 "[ . 1 . 2]" 1
436 1 29 LYS HA 1 36 TRP NE1 . . 3.700 3.021 2.433 3.339 . 0 0 "[ . 1 . 2]" 1
437 1 29 LYS QB 1 30 GLY H . . 3.870 2.766 2.355 3.527 . 0 0 "[ . 1 . 2]" 1
438 1 29 LYS HB2 1 29 LYS QZ . . 5.000 3.813 2.815 4.566 . 0 0 "[ . 1 . 2]" 1
439 1 29 LYS HB2 1 30 GLY H . . 4.300 3.026 2.409 4.093 . 0 0 "[ . 1 . 2]" 1
440 1 29 LYS HB3 1 29 LYS QZ . . 5.000 3.399 2.003 4.434 . 0 0 "[ . 1 . 2]" 1
441 1 29 LYS HB3 1 30 GLY H . . 4.300 3.460 2.779 4.302 0.002 11 0 "[ . 1 . 2]" 1
442 1 29 LYS QG 1 36 TRP HE3 . . 5.880 4.804 3.657 5.372 . 0 0 "[ . 1 . 2]" 1
443 1 29 LYS QG 1 36 TRP NE1 . . 5.880 3.891 3.440 4.667 . 0 0 "[ . 1 . 2]" 1
444 1 29 LYS QZ 1 34 PRO QB . . 5.180 3.682 3.147 3.947 . 0 0 "[ . 1 . 2]" 1
445 1 30 GLY H 1 31 SER H . . 2.900 2.630 1.915 2.921 0.021 12 0 "[ . 1 . 2]" 1
446 1 31 SER H 1 32 CYS H . . 2.800 2.568 2.075 2.822 0.022 10 0 "[ . 1 . 2]" 1
447 1 32 CYS H 1 32 CYS QB . . 3.460 2.522 2.319 2.691 . 0 0 "[ . 1 . 2]" 1
448 1 32 CYS H 1 36 TRP NE1 . . 5.000 3.978 3.588 4.850 . 0 0 "[ . 1 . 2]" 1
449 1 32 CYS HA 1 33 PRO HD2 . . 2.600 2.401 2.206 2.646 0.046 19 0 "[ . 1 . 2]" 1
450 1 32 CYS HA 1 33 PRO HD3 . . 2.600 2.417 2.261 2.647 0.047 4 0 "[ . 1 . 2]" 1
451 1 32 CYS QB 1 36 TRP HD1 . . 3.180 2.398 2.104 2.707 . 0 0 "[ . 1 . 2]" 1
452 1 32 CYS QB 1 36 TRP NE1 . . 3.800 3.112 2.826 3.425 . 0 0 "[ . 1 . 2]" 1
453 1 32 CYS HB2 1 36 TRP HD1 . . 3.400 2.455 2.123 2.844 . 0 0 "[ . 1 . 2]" 1
454 1 32 CYS HB2 1 36 TRP NE1 . . 4.500 3.208 2.901 3.611 . 0 0 "[ . 1 . 2]" 1
455 1 32 CYS HB3 1 36 TRP HD1 . . 3.400 3.416 3.219 3.474 0.074 13 0 "[ . 1 . 2]" 1
456 1 32 CYS HB3 1 36 TRP NE1 . . 4.500 4.216 3.853 4.538 0.038 2 0 "[ . 1 . 2]" 1
457 1 33 PRO HA 1 34 PRO HD2 . . 2.700 2.388 2.148 2.629 . 0 0 "[ . 1 . 2]" 1
458 1 33 PRO HA 1 34 PRO HD3 . . 2.700 2.475 2.198 2.712 0.012 20 0 "[ . 1 . 2]" 1
459 1 33 PRO QB 1 34 PRO QD . . 4.500 2.556 2.220 3.384 . 0 0 "[ . 1 . 2]" 1
460 1 34 PRO HA 1 35 PRO HA . . 3.100 2.309 2.161 2.494 . 0 0 "[ . 1 . 2]" 1
461 1 34 PRO HA 1 36 TRP H . . 3.700 3.407 2.790 3.771 0.071 15 0 "[ . 1 . 2]" 1
462 1 34 PRO HA 1 36 TRP HD1 . . 5.000 4.858 4.022 5.074 0.074 17 0 "[ . 1 . 2]" 1
463 1 34 PRO HA 1 36 TRP NE1 . . 5.000 3.786 3.253 4.160 . 0 0 "[ . 1 . 2]" 1
464 1 34 PRO QB 1 35 PRO HA . . 3.040 2.661 2.383 2.874 . 0 0 "[ . 1 . 2]" 1
465 1 34 PRO QB 1 36 TRP H . . 5.380 4.355 3.626 4.784 . 0 0 "[ . 1 . 2]" 1
466 1 34 PRO QB 1 36 TRP HE3 . . 5.880 3.964 3.497 4.670 . 0 0 "[ . 1 . 2]" 1
467 1 34 PRO QB 1 36 TRP NE1 . . 5.880 4.602 3.734 5.139 . 0 0 "[ . 1 . 2]" 1
468 1 34 PRO HB2 1 35 PRO HA . . 3.400 2.852 2.451 3.454 0.054 8 0 "[ . 1 . 2]" 1
469 1 34 PRO HB3 1 35 PRO HA . . 3.400 3.291 2.761 3.470 0.070 3 0 "[ . 1 . 2]" 1
470 1 34 PRO QD 1 36 TRP NE1 . . 5.880 4.590 4.134 4.882 . 0 0 "[ . 1 . 2]" 1
471 1 35 PRO HA 1 36 TRP H . . 2.700 2.383 2.175 2.521 . 0 0 "[ . 1 . 2]" 1
472 1 35 PRO QB 1 36 TRP H . . 3.810 2.736 2.341 3.271 . 0 0 "[ . 1 . 2]" 1
473 1 35 PRO HB2 1 36 TRP H . . 4.200 2.828 2.380 3.466 . 0 0 "[ . 1 . 2]" 1
474 1 35 PRO HB3 1 36 TRP H . . 4.200 3.714 3.454 4.089 . 0 0 "[ . 1 . 2]" 1
475 1 35 PRO QG 1 36 TRP H . . 5.370 4.209 3.861 4.761 . 0 0 "[ . 1 . 2]" 1
476 1 36 TRP H 1 36 TRP QB . . 3.900 2.445 2.313 2.598 . 0 0 "[ . 1 . 2]" 1
477 1 36 TRP HA 1 37 SER H . . 2.800 2.386 2.115 2.679 . 0 0 "[ . 1 . 2]" 1
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