NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382656 |
1jmp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jmp
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 502
_Distance_constraint_stats_list.Viol_count 1361
_Distance_constraint_stats_list.Viol_total 1005.880
_Distance_constraint_stats_list.Viol_max 0.326
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0370
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.158 0.129 6 0 "[ . 1 . 2]"
1 2 SER 1.954 0.176 18 0 "[ . 1 . 2]"
1 3 CYS 2.330 0.216 2 0 "[ . 1 . 2]"
1 4 CYS 1.372 0.326 18 0 "[ . 1 . 2]"
1 5 PRO 0.618 0.130 2 0 "[ . 1 . 2]"
1 6 ASN 1.314 0.250 18 0 "[ . 1 . 2]"
1 7 THR 0.223 0.061 11 0 "[ . 1 . 2]"
1 8 THR 0.478 0.093 19 0 "[ . 1 . 2]"
1 9 GLY 1.574 0.110 7 0 "[ . 1 . 2]"
1 10 ARG 3.832 0.326 18 0 "[ . 1 . 2]"
1 11 ASN 6.476 0.141 18 0 "[ . 1 . 2]"
1 12 ILE 3.813 0.143 2 0 "[ . 1 . 2]"
1 13 TYR 4.195 0.183 18 0 "[ . 1 . 2]"
1 14 ASN 3.364 0.220 2 0 "[ . 1 . 2]"
1 15 THR 6.400 0.143 2 0 "[ . 1 . 2]"
1 16 CYS 1.393 0.076 18 0 "[ . 1 . 2]"
1 17 ARG 1.867 0.086 2 0 "[ . 1 . 2]"
1 18 LEU 4.340 0.114 3 0 "[ . 1 . 2]"
1 19 GLY 2.014 0.057 18 0 "[ . 1 . 2]"
1 20 GLY 1.913 0.066 18 0 "[ . 1 . 2]"
1 21 GLY 3.336 0.197 11 0 "[ . 1 . 2]"
1 22 SER 3.663 0.197 11 0 "[ . 1 . 2]"
1 23 ARG 0.786 0.130 2 0 "[ . 1 . 2]"
1 24 GLU 1.377 0.133 18 0 "[ . 1 . 2]"
1 25 ARG 1.194 0.059 3 0 "[ . 1 . 2]"
1 26 CYS 1.401 0.063 7 0 "[ . 1 . 2]"
1 27 ALA 1.761 0.133 18 0 "[ . 1 . 2]"
1 28 SER 1.314 0.059 3 0 "[ . 1 . 2]"
1 29 LEU 0.154 0.017 20 0 "[ . 1 . 2]"
1 30 SER 1.413 0.074 7 0 "[ . 1 . 2]"
1 31 GLY 0.258 0.044 2 0 "[ . 1 . 2]"
1 32 CYS 2.939 0.236 11 0 "[ . 1 . 2]"
1 33 LYS 1.511 0.105 3 0 "[ . 1 . 2]"
1 34 ILE 0.395 0.047 3 0 "[ . 1 . 2]"
1 35 ILE 1.112 0.083 2 0 "[ . 1 . 2]"
1 36 SER 0.799 0.106 14 0 "[ . 1 . 2]"
1 37 ALA 0.574 0.106 14 0 "[ . 1 . 2]"
1 38 SER 1.383 0.074 2 0 "[ . 1 . 2]"
1 39 THR 0.234 0.081 8 0 "[ . 1 . 2]"
1 40 CYS 0.549 0.157 2 0 "[ . 1 . 2]"
1 41 PRO 1.134 0.234 7 0 "[ . 1 . 2]"
1 42 SER 0.754 0.234 7 0 "[ . 1 . 2]"
1 43 ASP 0.108 0.051 18 0 "[ . 1 . 2]"
1 44 TYR 2.655 0.236 11 0 "[ . 1 . 2]"
1 45 PRO 0.271 0.062 20 0 "[ . 1 . 2]"
1 46 LYS 2.420 0.186 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 1 LYS HD2 4.700 . 4.700 3.405 1.911 4.656 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 1 LYS QD 4.500 . 4.500 3.093 1.902 4.052 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS HA 1 1 LYS HD3 4.700 . 4.700 3.935 3.462 4.829 0.129 6 0 "[ . 1 . 2]" 1
4 1 1 LYS QB 1 2 SER HA 4.700 . 4.700 3.973 3.587 4.154 . 0 0 "[ . 1 . 2]" 1
5 1 1 LYS QD 1 2 SER H 6.800 . 6.800 3.888 1.771 4.916 0.029 6 0 "[ . 1 . 2]" 1
6 1 1 LYS QE 1 2 SER HA 5.400 . 5.400 4.637 3.810 4.908 . 0 0 "[ . 1 . 2]" 1
7 1 1 LYS QG 1 2 SER H 6.900 . 6.900 3.562 1.958 4.367 . 0 0 "[ . 1 . 2]" 1
8 1 1 LYS QZ 1 10 ARG HE 4.500 . 4.500 3.664 2.967 3.976 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER H 1 2 SER HA 2.800 . 2.800 2.472 2.257 2.919 0.119 5 0 "[ . 1 . 2]" 1
10 1 2 SER H 1 2 SER QB 3.700 . 3.700 2.958 2.381 3.262 . 0 0 "[ . 1 . 2]" 1
11 1 2 SER H 1 34 ILE MD 7.000 . 7.000 5.052 3.883 5.703 . 0 0 "[ . 1 . 2]" 1
12 1 2 SER HA 1 2 SER HB2 2.800 . 2.800 2.576 2.295 2.976 0.176 18 0 "[ . 1 . 2]" 1
13 1 2 SER HA 1 2 SER HB3 2.800 . 2.800 2.641 2.304 2.841 0.041 7 0 "[ . 1 . 2]" 1
14 1 2 SER HA 1 3 CYS H 2.400 . 2.400 2.417 2.224 2.532 0.132 2 0 "[ . 1 . 2]" 1
15 1 2 SER HA 1 34 ILE HA 4.100 . 4.100 3.060 2.083 3.842 . 0 0 "[ . 1 . 2]" 1
16 1 2 SER HA 1 35 ILE H 3.400 . 3.400 2.949 1.926 3.456 0.056 3 0 "[ . 1 . 2]" 1
17 1 2 SER QB 1 3 CYS H 4.400 . 4.400 2.515 2.128 2.848 . 0 0 "[ . 1 . 2]" 1
18 1 2 SER QB 1 34 ILE MD 4.900 . 4.900 3.292 2.616 3.664 . 0 0 "[ . 1 . 2]" 1
19 1 2 SER HB2 1 34 ILE MD 5.100 . 5.100 3.749 2.677 4.190 . 0 0 "[ . 1 . 2]" 1
20 1 2 SER HB3 1 34 ILE MD 5.100 . 5.100 3.734 2.816 4.201 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS CB 1 40 CYS SG 3.100 . 3.100 3.042 3.028 3.112 0.012 2 0 "[ . 1 . 2]" 1
22 1 3 CYS H 1 3 CYS HB2 3.800 . 3.800 2.905 2.454 3.315 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS H 1 3 CYS HB3 3.800 . 3.800 3.113 2.307 4.016 0.216 2 0 "[ . 1 . 2]" 1
24 1 3 CYS H 1 4 CYS H 5.000 . 5.000 4.272 3.501 4.629 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS H 1 14 ASN QD 7.700 . 7.700 6.931 6.898 7.061 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS H 1 32 CYS QB 6.900 . 6.900 3.767 3.219 4.289 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS H 1 33 LYS H 3.600 . 3.600 3.440 2.769 3.655 0.055 7 0 "[ . 1 . 2]" 1
28 1 3 CYS H 1 33 LYS QB 6.900 . 6.900 3.916 3.245 4.854 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS H 1 33 LYS QD 7.000 . 7.000 5.816 4.191 6.224 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS H 1 33 LYS O 2.000 . 2.000 1.959 1.801 2.077 0.077 9 0 "[ . 1 . 2]" 1
31 1 3 CYS H 1 34 ILE HA 3.500 . 3.500 3.267 2.536 3.514 0.014 1 0 "[ . 1 . 2]" 1
32 1 3 CYS H 1 35 ILE H 3.800 . 3.800 3.735 2.679 3.863 0.063 18 0 "[ . 1 . 2]" 1
33 1 3 CYS H 1 35 ILE MD 6.300 . 6.300 3.280 2.107 5.201 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS HA 1 4 CYS H 2.900 . 2.900 2.230 2.132 2.559 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS QB 1 4 CYS H 4.500 . 4.500 3.437 2.167 4.007 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS QB 1 4 CYS HA 5.600 . 5.600 4.317 3.888 4.727 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS QB 1 33 LYS H 6.900 . 6.900 3.507 2.984 4.245 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS QB 1 41 PRO QD 5.900 . 5.900 2.992 1.767 3.908 0.033 2 0 "[ . 1 . 2]" 1
39 1 3 CYS QB 1 44 TYR CG 6.400 . 6.400 4.645 2.938 5.698 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS QB 1 44 TYR CZ 7.700 . 7.700 5.278 3.058 6.791 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS HB2 1 41 PRO HD2 7.500 . 7.500 3.497 1.907 4.834 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS HB2 1 41 PRO HD3 7.500 . 7.500 4.281 2.261 5.504 . 0 0 "[ . 1 . 2]" 1
43 1 3 CYS HB2 1 44 TYR CG 6.700 . 6.700 5.818 3.717 6.490 . 0 0 "[ . 1 . 2]" 1
44 1 3 CYS HB2 1 44 TYR CZ 8.000 . 8.000 6.564 3.636 8.043 0.043 10 0 "[ . 1 . 2]" 1
45 1 3 CYS HB3 1 41 PRO HD2 7.500 . 7.500 3.641 2.490 4.643 . 0 0 "[ . 1 . 2]" 1
46 1 3 CYS HB3 1 41 PRO HD3 7.500 . 7.500 4.673 3.671 6.106 . 0 0 "[ . 1 . 2]" 1
47 1 3 CYS HB3 1 44 TYR CG 6.700 . 6.700 4.950 3.078 6.711 0.011 3 0 "[ . 1 . 2]" 1
48 1 3 CYS HB3 1 44 TYR CZ 8.000 . 8.000 5.643 3.102 7.836 . 0 0 "[ . 1 . 2]" 1
49 1 3 CYS N 1 33 LYS O 3.000 . 3.000 2.747 2.404 2.959 . 0 0 "[ . 1 . 2]" 1
50 1 3 CYS O 1 33 LYS H 2.000 . 2.000 1.821 1.744 2.008 0.056 18 0 "[ . 1 . 2]" 1
51 1 3 CYS O 1 33 LYS N 3.000 . 3.000 2.647 2.144 2.967 . 0 0 "[ . 1 . 2]" 1
52 1 3 CYS SG 1 40 CYS CB 3.100 . 3.100 3.039 3.025 3.096 . 0 0 "[ . 1 . 2]" 1
53 1 3 CYS SG 1 40 CYS SG 2.100 . 2.100 2.030 2.028 2.032 . 0 0 "[ . 1 . 2]" 1
54 1 4 CYS CB 1 32 CYS SG 3.100 . 3.100 3.032 2.959 3.057 . 0 0 "[ . 1 . 2]" 1
55 1 4 CYS H 1 4 CYS QB 3.500 . 3.500 2.644 2.363 2.892 . 0 0 "[ . 1 . 2]" 1
56 1 4 CYS H 1 10 ARG HE 6.000 . 6.000 5.586 4.721 6.326 0.326 18 0 "[ . 1 . 2]" 1
57 1 4 CYS H 1 32 CYS QB 6.900 . 6.900 4.371 3.750 5.009 . 0 0 "[ . 1 . 2]" 1
58 1 4 CYS H 1 46 LYS H 3.400 . 3.400 3.385 2.834 3.555 0.155 3 0 "[ . 1 . 2]" 1
59 1 4 CYS HA 1 5 PRO HD2 3.300 . 3.300 2.357 1.873 2.934 . 0 0 "[ . 1 . 2]" 1
60 1 4 CYS HA 1 5 PRO QD 3.100 . 3.100 2.024 1.839 2.104 . 0 0 "[ . 1 . 2]" 1
61 1 4 CYS HA 1 5 PRO HD3 3.300 . 3.300 2.320 2.013 2.956 . 0 0 "[ . 1 . 2]" 1
62 1 4 CYS HA 1 32 CYS HA 6.000 . 6.000 2.692 1.780 3.522 0.020 3 0 "[ . 1 . 2]" 1
63 1 4 CYS HA 1 32 CYS QB 4.800 . 4.800 2.819 1.944 3.590 . 0 0 "[ . 1 . 2]" 1
64 1 4 CYS HA 1 33 LYS H 3.900 . 3.900 3.029 1.952 3.513 . 0 0 "[ . 1 . 2]" 1
65 1 4 CYS HA 1 44 TYR CG 5.900 . 5.900 4.750 3.981 5.869 . 0 0 "[ . 1 . 2]" 1
66 1 4 CYS HA 1 44 TYR CZ 7.600 . 7.600 5.290 3.923 6.308 . 0 0 "[ . 1 . 2]" 1
67 1 4 CYS QB 1 5 PRO HA 5.500 . 5.500 4.700 4.480 5.063 . 0 0 "[ . 1 . 2]" 1
68 1 4 CYS QB 1 10 ARG H 5.800 . 5.800 2.894 2.535 3.770 . 0 0 "[ . 1 . 2]" 1
69 1 4 CYS QB 1 10 ARG HE 6.900 . 6.900 4.616 3.093 6.099 . 0 0 "[ . 1 . 2]" 1
70 1 4 CYS QB 1 10 ARG QG 7.600 . 7.600 3.425 1.890 4.877 . 0 0 "[ . 1 . 2]" 1
71 1 4 CYS QB 1 46 LYS H 7.000 . 7.000 4.683 3.847 5.729 . 0 0 "[ . 1 . 2]" 1
72 1 4 CYS QB 1 46 LYS QB 6.300 . 6.300 3.325 1.857 4.948 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS SG 1 32 CYS CB 3.100 . 3.100 3.029 2.964 3.053 . 0 0 "[ . 1 . 2]" 1
74 1 4 CYS SG 1 32 CYS SG 2.100 . 2.100 2.029 2.022 2.032 . 0 0 "[ . 1 . 2]" 1
75 1 5 PRO HA 1 44 TYR HB2 3.500 . 3.500 3.204 1.937 3.630 0.130 2 0 "[ . 1 . 2]" 1
76 1 5 PRO HA 1 44 TYR HB3 3.500 . 3.500 2.591 1.811 3.517 0.017 3 0 "[ . 1 . 2]" 1
77 1 5 PRO QB 1 6 ASN H 4.200 . 4.200 3.477 2.084 3.858 . 0 0 "[ . 1 . 2]" 1
78 1 5 PRO QD 1 6 ASN H 4.200 . 4.200 2.993 2.316 3.938 . 0 0 "[ . 1 . 2]" 1
79 1 5 PRO QD 1 32 CYS HA 3.800 . 3.800 2.531 1.766 3.478 0.034 3 0 "[ . 1 . 2]" 1
80 1 5 PRO QD 1 44 TYR CG 7.000 . 7.000 4.098 3.509 5.246 . 0 0 "[ . 1 . 2]" 1
81 1 5 PRO QD 1 44 TYR CZ 7.900 . 7.900 4.180 2.865 5.626 . 0 0 "[ . 1 . 2]" 1
82 1 5 PRO HD2 1 32 CYS HA 4.200 . 4.200 2.887 1.800 4.202 0.002 13 0 "[ . 1 . 2]" 1
83 1 5 PRO HD3 1 32 CYS HA 4.200 . 4.200 3.030 1.962 4.017 . 0 0 "[ . 1 . 2]" 1
84 1 5 PRO QG 1 6 ASN HD21 7.000 . 7.000 4.389 2.763 6.260 . 0 0 "[ . 1 . 2]" 1
85 1 5 PRO QG 1 6 ASN QD 6.800 . 6.800 3.883 2.722 5.149 . 0 0 "[ . 1 . 2]" 1
86 1 5 PRO QG 1 6 ASN HD22 7.000 . 7.000 4.745 3.099 6.268 . 0 0 "[ . 1 . 2]" 1
87 1 5 PRO QG 1 44 TYR CG 7.200 . 7.200 4.866 3.774 5.490 . 0 0 "[ . 1 . 2]" 1
88 1 5 PRO QG 1 44 TYR CZ 8.300 . 8.300 4.792 3.406 6.582 . 0 0 "[ . 1 . 2]" 1
89 1 6 ASN H 1 6 ASN QD 5.600 . 5.600 4.204 3.305 4.881 . 0 0 "[ . 1 . 2]" 1
90 1 6 ASN H 1 9 GLY H 4.000 . 4.000 3.687 2.924 4.110 0.110 7 0 "[ . 1 . 2]" 1
91 1 6 ASN H 1 10 ARG H 4.000 . 4.000 4.021 3.601 4.250 0.250 18 0 "[ . 1 . 2]" 1
92 1 6 ASN H 1 46 LYS QB 6.700 . 6.700 5.396 4.049 6.066 . 0 0 "[ . 1 . 2]" 1
93 1 6 ASN HA 1 9 GLY H 5.700 . 5.700 4.647 4.116 4.899 . 0 0 "[ . 1 . 2]" 1
94 1 6 ASN O 1 9 GLY H 2.000 . 2.000 1.926 1.750 2.032 0.050 18 0 "[ . 1 . 2]" 1
95 1 6 ASN O 1 9 GLY N 3.000 . 3.000 2.781 2.525 2.929 . 0 0 "[ . 1 . 2]" 1
96 1 7 THR HA 1 7 THR HB 3.000 . 3.000 2.364 2.311 2.438 . 0 0 "[ . 1 . 2]" 1
97 1 7 THR HB 1 10 ARG QB 4.700 . 4.700 3.887 3.543 4.116 . 0 0 "[ . 1 . 2]" 1
98 1 7 THR HB 1 10 ARG QG 6.000 . 6.000 4.714 3.605 5.289 . 0 0 "[ . 1 . 2]" 1
99 1 7 THR HG1 1 10 ARG QB 7.300 . 7.300 3.667 2.815 4.196 . 0 0 "[ . 1 . 2]" 1
100 1 7 THR O 1 11 ASN H 2.000 . 2.000 1.919 1.783 2.061 0.061 11 0 "[ . 1 . 2]" 1
101 1 7 THR O 1 11 ASN N 3.000 . 3.000 2.814 2.581 3.006 0.006 3 0 "[ . 1 . 2]" 1
102 1 8 THR H 1 9 GLY H 3.900 . 3.900 2.708 2.509 2.844 . 0 0 "[ . 1 . 2]" 1
103 1 8 THR HA 1 9 GLY H 3.600 . 3.600 3.484 3.414 3.564 . 0 0 "[ . 1 . 2]" 1
104 1 8 THR HB 1 9 GLY H 4.200 . 4.200 3.574 3.023 3.916 . 0 0 "[ . 1 . 2]" 1
105 1 8 THR HB 1 11 ASN QD 6.800 . 6.800 4.396 3.744 4.726 . 0 0 "[ . 1 . 2]" 1
106 1 8 THR HB 1 12 ILE H 5.900 . 5.900 5.886 5.299 5.993 0.093 19 0 "[ . 1 . 2]" 1
107 1 8 THR HG1 1 9 GLY H 7.000 . 7.000 2.379 1.981 3.075 . 0 0 "[ . 1 . 2]" 1
108 1 8 THR HG1 1 11 ASN H 7.000 . 7.000 4.989 4.725 5.273 . 0 0 "[ . 1 . 2]" 1
109 1 8 THR HG1 1 11 ASN HD21 5.600 . 5.600 3.679 3.402 4.242 . 0 0 "[ . 1 . 2]" 1
110 1 8 THR HG1 1 11 ASN QD 5.100 . 5.100 3.344 3.092 3.517 . 0 0 "[ . 1 . 2]" 1
111 1 8 THR HG1 1 11 ASN HD22 5.600 . 5.600 4.076 3.178 4.433 . 0 0 "[ . 1 . 2]" 1
112 1 9 GLY H 1 10 ARG H 3.000 . 3.000 2.266 2.059 2.469 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLY H 1 11 ASN H 3.800 . 3.800 3.764 3.528 3.897 0.097 2 0 "[ . 1 . 2]" 1
114 1 9 GLY H 1 14 ASN QD 7.900 . 7.900 7.007 6.671 7.080 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLY QA 1 11 ASN H 6.000 . 6.000 3.781 3.523 4.078 . 0 0 "[ . 1 . 2]" 1
116 1 9 GLY QA 1 12 ILE H 5.200 . 5.200 3.435 3.220 3.816 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLY O 1 13 TYR H 2.000 . 2.000 1.991 1.785 2.073 0.073 16 0 "[ . 1 . 2]" 1
118 1 9 GLY O 1 13 TYR N 3.000 . 3.000 2.957 2.719 3.042 0.042 16 0 "[ . 1 . 2]" 1
119 1 10 ARG H 1 10 ARG QB 3.400 . 3.400 2.217 2.019 2.608 . 0 0 "[ . 1 . 2]" 1
120 1 10 ARG H 1 10 ARG HD2 6.000 . 6.000 5.008 3.689 5.847 . 0 0 "[ . 1 . 2]" 1
121 1 10 ARG H 1 10 ARG HD3 6.000 . 6.000 4.554 3.040 5.548 . 0 0 "[ . 1 . 2]" 1
122 1 10 ARG H 1 10 ARG QG 4.300 . 4.300 3.406 1.907 3.987 . 0 0 "[ . 1 . 2]" 1
123 1 10 ARG H 1 11 ASN H 3.000 . 3.000 2.705 2.602 2.916 . 0 0 "[ . 1 . 2]" 1
124 1 10 ARG H 1 12 ILE H 4.700 . 4.700 4.634 4.330 4.728 0.028 10 0 "[ . 1 . 2]" 1
125 1 10 ARG HA 1 10 ARG HD2 4.200 . 4.200 3.369 1.923 4.095 . 0 0 "[ . 1 . 2]" 1
126 1 10 ARG HA 1 10 ARG QD 3.700 . 3.700 2.703 1.915 3.398 . 0 0 "[ . 1 . 2]" 1
127 1 10 ARG HA 1 10 ARG HD3 4.200 . 4.200 3.163 2.320 4.215 0.015 18 0 "[ . 1 . 2]" 1
128 1 10 ARG HA 1 10 ARG HE 4.800 . 4.800 4.542 2.824 4.988 0.188 1 0 "[ . 1 . 2]" 1
129 1 10 ARG HA 1 13 TYR H 3.800 . 3.800 3.746 3.362 3.882 0.082 7 0 "[ . 1 . 2]" 1
130 1 10 ARG HA 1 13 TYR QB 4.700 . 4.700 2.852 2.510 3.357 . 0 0 "[ . 1 . 2]" 1
131 1 10 ARG QB 1 10 ARG HE 3.800 . 3.800 3.051 1.868 3.845 0.045 2 0 "[ . 1 . 2]" 1
132 1 10 ARG QB 1 11 ASN H 4.100 . 4.100 2.714 2.343 2.938 . 0 0 "[ . 1 . 2]" 1
133 1 10 ARG HB2 1 10 ARG HE 4.400 . 4.400 3.616 2.136 4.442 0.042 2 0 "[ . 1 . 2]" 1
134 1 10 ARG HB3 1 10 ARG HE 4.400 . 4.400 3.645 1.875 4.394 . 0 0 "[ . 1 . 2]" 1
135 1 10 ARG QD 1 13 TYR H 6.900 . 6.900 5.763 5.018 6.511 . 0 0 "[ . 1 . 2]" 1
136 1 10 ARG QD 1 14 ASN QD 4.400 . 4.400 2.344 1.580 3.451 0.220 2 0 "[ . 1 . 2]" 1
137 1 10 ARG HD2 1 14 ASN HD21 6.000 . 6.000 3.768 2.548 5.189 . 0 0 "[ . 1 . 2]" 1
138 1 10 ARG HD2 1 14 ASN HD22 6.000 . 6.000 2.765 1.867 3.786 . 0 0 "[ . 1 . 2]" 1
139 1 10 ARG HD3 1 14 ASN HD21 6.000 . 6.000 4.098 2.457 5.738 . 0 0 "[ . 1 . 2]" 1
140 1 10 ARG HD3 1 14 ASN HD22 6.000 . 6.000 3.217 1.607 5.015 0.193 2 0 "[ . 1 . 2]" 1
141 1 10 ARG HE 1 14 ASN QD 6.900 . 6.900 3.730 1.874 4.639 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG HE 1 46 LYS HA 7.000 . 7.000 4.174 1.962 6.811 . 0 0 "[ . 1 . 2]" 1
143 1 10 ARG QG 1 11 ASN H 6.000 . 6.000 3.966 3.095 4.533 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG QG 1 14 ASN HD21 7.000 . 7.000 3.556 1.957 5.089 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG QG 1 14 ASN QD 6.800 . 6.800 2.911 1.697 4.377 0.103 1 0 "[ . 1 . 2]" 1
146 1 10 ARG QG 1 14 ASN HD22 7.000 . 7.000 3.114 1.861 4.825 . 0 0 "[ . 1 . 2]" 1
147 1 10 ARG O 1 14 ASN H 2.000 . 2.000 1.819 1.655 1.976 0.145 18 0 "[ . 1 . 2]" 1
148 1 10 ARG O 1 14 ASN N 3.000 . 3.000 2.686 2.536 2.854 . 0 0 "[ . 1 . 2]" 1
149 1 11 ASN H 1 11 ASN HB2 3.400 . 3.400 2.522 2.144 3.537 0.137 20 0 "[ . 1 . 2]" 1
150 1 11 ASN H 1 11 ASN HB3 3.400 . 3.400 3.376 2.542 3.535 0.135 3 0 "[ . 1 . 2]" 1
151 1 11 ASN H 1 13 TYR H 4.600 . 4.600 4.193 3.957 4.595 . 0 0 "[ . 1 . 2]" 1
152 1 11 ASN HA 1 11 ASN HB2 3.000 . 3.000 2.929 2.478 3.018 0.018 18 0 "[ . 1 . 2]" 1
153 1 11 ASN HA 1 11 ASN HB3 3.000 . 3.000 2.522 2.354 2.686 . 0 0 "[ . 1 . 2]" 1
154 1 11 ASN HA 1 12 ILE H 3.600 . 3.600 3.576 3.538 3.589 . 0 0 "[ . 1 . 2]" 1
155 1 11 ASN HA 1 14 ASN H 3.800 . 3.800 3.674 3.464 3.941 0.141 18 0 "[ . 1 . 2]" 1
156 1 11 ASN HA 1 15 THR H 3.500 . 3.500 3.577 3.426 3.628 0.128 7 0 "[ . 1 . 2]" 1
157 1 11 ASN QB 1 12 ILE H 3.400 . 3.400 2.435 2.128 3.085 . 0 0 "[ . 1 . 2]" 1
158 1 11 ASN HB2 1 12 ILE H 3.600 . 3.600 2.526 2.148 3.287 . 0 0 "[ . 1 . 2]" 1
159 1 11 ASN HB3 1 12 ILE H 3.600 . 3.600 3.276 2.935 3.738 0.138 20 0 "[ . 1 . 2]" 1
160 1 11 ASN O 1 15 THR H 2.000 . 2.000 1.743 1.697 1.880 0.103 20 0 "[ . 1 . 2]" 1
161 1 11 ASN O 1 15 THR N 3.000 . 3.000 2.706 2.662 2.806 . 0 0 "[ . 1 . 2]" 1
162 1 12 ILE H 1 12 ILE HB 2.500 . 2.500 2.462 2.268 2.519 0.019 12 0 "[ . 1 . 2]" 1
163 1 12 ILE H 1 12 ILE QG 4.200 . 4.200 2.833 2.763 2.956 . 0 0 "[ . 1 . 2]" 1
164 1 12 ILE H 1 13 TYR H 2.800 . 2.800 2.776 2.582 2.839 0.039 18 0 "[ . 1 . 2]" 1
165 1 12 ILE H 1 14 ASN QD 6.900 . 6.900 5.447 5.019 5.811 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE HA 1 12 ILE MD 4.000 . 4.000 3.367 3.320 3.515 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE HA 1 15 THR H 3.600 . 3.600 3.700 3.667 3.743 0.143 2 0 "[ . 1 . 2]" 1
168 1 12 ILE HA 1 16 CYS H 3.500 . 3.500 3.463 3.352 3.576 0.076 18 0 "[ . 1 . 2]" 1
169 1 12 ILE HA 1 26 CYS QB 5.500 . 5.500 4.751 4.662 4.811 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE HA 1 30 SER QB 6.400 . 6.400 4.995 4.598 5.418 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE HB 1 12 ILE MD 3.400 . 3.400 2.095 1.972 2.196 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE HB 1 13 TYR H 2.900 . 2.900 2.621 2.481 2.754 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE HB 1 30 SER HB2 4.500 . 4.500 2.482 1.980 3.562 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE HB 1 30 SER QB 4.200 . 4.200 2.326 1.963 2.709 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE HB 1 30 SER HB3 4.500 . 4.500 3.404 2.079 3.838 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE MD 1 13 TYR H 5.900 . 5.900 3.807 3.535 4.262 . 0 0 "[ . 1 . 2]" 1
177 1 12 ILE MD 1 30 SER HB2 4.800 . 4.800 3.363 3.025 3.574 . 0 0 "[ . 1 . 2]" 1
178 1 12 ILE MD 1 30 SER QB 4.400 . 4.400 3.071 2.181 3.189 . 0 0 "[ . 1 . 2]" 1
179 1 12 ILE MD 1 30 SER HB3 4.800 . 4.800 3.655 2.205 3.869 . 0 0 "[ . 1 . 2]" 1
180 1 12 ILE QG 1 29 LEU H 7.000 . 7.000 4.261 4.047 4.670 . 0 0 "[ . 1 . 2]" 1
181 1 12 ILE O 1 16 CYS H 2.000 . 2.000 1.797 1.757 1.982 0.043 12 0 "[ . 1 . 2]" 1
182 1 12 ILE O 1 16 CYS N 3.000 . 3.000 2.662 2.603 2.871 . 0 0 "[ . 1 . 2]" 1
183 1 13 TYR CG 1 14 ASN H 7.400 . 7.400 4.351 3.963 4.601 . 0 0 "[ . 1 . 2]" 1
184 1 13 TYR CG 1 17 ARG QB 8.900 . 8.900 5.264 4.942 5.516 . 0 0 "[ . 1 . 2]" 1
185 1 13 TYR CG 1 26 CYS HB2 8.000 . 8.000 2.880 2.508 3.354 . 0 0 "[ . 1 . 2]" 1
186 1 13 TYR CG 1 26 CYS HB3 8.000 . 8.000 4.041 3.545 4.508 . 0 0 "[ . 1 . 2]" 1
187 1 13 TYR CG 1 27 ALA HA 6.500 . 6.500 4.741 4.233 5.377 . 0 0 "[ . 1 . 2]" 1
188 1 13 TYR CG 1 27 ALA MB 9.000 . 9.000 4.855 4.414 5.290 . 0 0 "[ . 1 . 2]" 1
189 1 13 TYR CG 1 30 SER HA 8.300 . 8.300 8.298 7.876 8.374 0.074 7 0 "[ . 1 . 2]" 1
190 1 13 TYR CG 1 32 CYS QB 8.900 . 8.900 3.700 2.775 4.574 . 0 0 "[ . 1 . 2]" 1
191 1 13 TYR CG 1 34 ILE MD 9.000 . 9.000 5.108 3.768 5.869 . 0 0 "[ . 1 . 2]" 1
192 1 13 TYR CZ 1 17 ARG HB2 8.000 . 8.000 6.328 5.431 6.908 . 0 0 "[ . 1 . 2]" 1
193 1 13 TYR CZ 1 17 ARG HB3 8.000 . 8.000 7.502 6.433 8.032 0.032 18 0 "[ . 1 . 2]" 1
194 1 13 TYR CZ 1 17 ARG HG2 8.000 . 8.000 5.713 4.654 6.720 . 0 0 "[ . 1 . 2]" 1
195 1 13 TYR CZ 1 17 ARG QG 7.600 . 7.600 4.596 3.865 5.177 . 0 0 "[ . 1 . 2]" 1
196 1 13 TYR CZ 1 17 ARG HG3 8.000 . 8.000 4.890 3.950 5.667 . 0 0 "[ . 1 . 2]" 1
197 1 13 TYR CZ 1 26 CYS H 8.000 . 8.000 5.367 4.571 6.547 . 0 0 "[ . 1 . 2]" 1
198 1 13 TYR CZ 1 26 CYS HB2 6.900 . 6.900 3.878 3.034 4.878 . 0 0 "[ . 1 . 2]" 1
199 1 13 TYR CZ 1 26 CYS QB 6.300 . 6.300 3.800 3.001 4.725 . 0 0 "[ . 1 . 2]" 1
200 1 13 TYR CZ 1 26 CYS HB3 6.900 . 6.900 5.485 4.731 6.323 . 0 0 "[ . 1 . 2]" 1
201 1 13 TYR CZ 1 27 ALA H 6.700 . 6.700 4.295 3.309 5.738 . 0 0 "[ . 1 . 2]" 1
202 1 13 TYR CZ 1 27 ALA HA 6.600 . 6.600 4.748 3.867 6.045 . 0 0 "[ . 1 . 2]" 1
203 1 13 TYR CZ 1 27 ALA MB 8.300 . 8.300 3.690 2.992 4.830 . 0 0 "[ . 1 . 2]" 1
204 1 13 TYR CZ 1 33 LYS QE 8.900 . 8.900 7.662 6.681 7.982 . 0 0 "[ . 1 . 2]" 1
205 1 13 TYR CZ 1 34 ILE MD 7.400 . 7.400 3.020 2.255 3.818 . 0 0 "[ . 1 . 2]" 1
206 1 13 TYR H 1 13 TYR HB2 2.800 . 2.800 2.189 2.023 2.498 . 0 0 "[ . 1 . 2]" 1
207 1 13 TYR H 1 13 TYR QB 2.600 . 2.600 2.114 1.992 2.242 . 0 0 "[ . 1 . 2]" 1
208 1 13 TYR H 1 13 TYR HB3 2.800 . 2.800 2.849 2.536 2.983 0.183 18 0 "[ . 1 . 2]" 1
209 1 13 TYR H 1 14 ASN H 3.000 . 3.000 2.652 2.484 2.766 . 0 0 "[ . 1 . 2]" 1
210 1 13 TYR H 1 26 CYS QB 4.100 . 4.100 3.745 3.658 3.829 . 0 0 "[ . 1 . 2]" 1
211 1 13 TYR H 1 30 SER QB 4.600 . 4.600 3.598 3.359 4.145 . 0 0 "[ . 1 . 2]" 1
212 1 13 TYR H 1 32 CYS QB 6.900 . 6.900 5.267 4.854 5.778 . 0 0 "[ . 1 . 2]" 1
213 1 13 TYR QB 1 14 ASN QB 5.800 . 5.800 4.184 4.033 4.471 . 0 0 "[ . 1 . 2]" 1
214 1 13 TYR QB 1 16 CYS QB 5.500 . 5.500 4.290 4.244 4.328 . 0 0 "[ . 1 . 2]" 1
215 1 13 TYR QB 1 17 ARG H 6.900 . 6.900 5.098 4.868 5.272 . 0 0 "[ . 1 . 2]" 1
216 1 13 TYR QB 1 31 GLY H 6.900 . 6.900 5.284 4.379 5.845 . 0 0 "[ . 1 . 2]" 1
217 1 13 TYR QB 1 33 LYS H 7.100 . 7.100 5.890 5.340 6.342 . 0 0 "[ . 1 . 2]" 1
218 1 13 TYR O 1 17 ARG H 2.000 . 2.000 2.048 2.009 2.086 0.086 2 0 "[ . 1 . 2]" 1
219 1 13 TYR O 1 17 ARG N 3.000 . 3.000 3.006 2.938 3.058 0.058 2 0 "[ . 1 . 2]" 1
220 1 14 ASN H 1 14 ASN HA 2.900 . 2.900 2.819 2.801 2.837 . 0 0 "[ . 1 . 2]" 1
221 1 14 ASN H 1 14 ASN HB2 3.400 . 3.400 2.215 2.164 2.432 . 0 0 "[ . 1 . 2]" 1
222 1 14 ASN H 1 14 ASN QB 3.000 . 3.000 2.191 2.144 2.392 . 0 0 "[ . 1 . 2]" 1
223 1 14 ASN H 1 14 ASN HB3 3.400 . 3.400 3.491 3.468 3.537 0.137 18 0 "[ . 1 . 2]" 1
224 1 14 ASN H 1 14 ASN HD21 6.000 . 6.000 2.097 1.856 2.334 . 0 0 "[ . 1 . 2]" 1
225 1 14 ASN H 1 14 ASN HD22 6.000 . 6.000 3.762 3.304 3.987 . 0 0 "[ . 1 . 2]" 1
226 1 14 ASN H 1 15 THR H 2.900 . 2.900 2.780 2.658 2.890 . 0 0 "[ . 1 . 2]" 1
227 1 14 ASN HA 1 17 ARG H 4.200 . 4.200 3.741 3.607 3.902 . 0 0 "[ . 1 . 2]" 1
228 1 14 ASN HA 1 18 LEU H 4.800 . 4.800 4.201 3.886 4.350 . 0 0 "[ . 1 . 2]" 1
229 1 14 ASN HB2 1 15 THR H 3.500 . 3.500 2.542 2.211 2.655 . 0 0 "[ . 1 . 2]" 1
230 1 14 ASN HB3 1 15 THR H 3.500 . 3.500 3.085 2.823 3.547 0.047 18 0 "[ . 1 . 2]" 1
231 1 14 ASN O 1 18 LEU H 2.000 . 2.000 1.975 1.741 2.039 0.059 2 0 "[ . 1 . 2]" 1
232 1 14 ASN O 1 18 LEU N 3.000 . 3.000 2.840 2.649 2.907 . 0 0 "[ . 1 . 2]" 1
233 1 15 THR H 1 15 THR HA 2.900 . 2.900 2.822 2.784 2.857 . 0 0 "[ . 1 . 2]" 1
234 1 15 THR H 1 15 THR HB 2.900 . 2.900 2.760 2.482 2.943 0.043 20 0 "[ . 1 . 2]" 1
235 1 15 THR H 1 16 CYS H 2.800 . 2.800 2.637 2.489 2.736 . 0 0 "[ . 1 . 2]" 1
236 1 15 THR HB 1 16 CYS H 4.100 . 4.100 3.747 2.664 4.094 . 0 0 "[ . 1 . 2]" 1
237 1 15 THR HB 1 18 LEU H 5.400 . 5.400 5.329 5.163 5.485 0.085 12 0 "[ . 1 . 2]" 1
238 1 15 THR HB 1 18 LEU HB2 5.400 . 5.400 5.026 4.352 5.499 0.099 3 0 "[ . 1 . 2]" 1
239 1 15 THR HB 1 18 LEU QB 5.000 . 5.000 4.197 4.114 4.418 . 0 0 "[ . 1 . 2]" 1
240 1 15 THR HB 1 18 LEU HB3 5.400 . 5.400 4.797 4.256 5.477 0.077 16 0 "[ . 1 . 2]" 1
241 1 15 THR HB 1 18 LEU QD 7.100 . 7.100 3.343 2.213 4.874 . 0 0 "[ . 1 . 2]" 1
242 1 15 THR HG1 1 16 CYS H 5.800 . 5.800 2.243 1.881 3.532 . 0 0 "[ . 1 . 2]" 1
243 1 16 CYS CB 1 26 CYS SG 3.100 . 3.100 3.004 2.997 3.010 . 0 0 "[ . 1 . 2]" 1
244 1 16 CYS H 1 16 CYS HA 2.800 . 2.800 2.770 2.748 2.799 . 0 0 "[ . 1 . 2]" 1
245 1 16 CYS H 1 16 CYS HB2 2.700 . 2.700 2.727 2.711 2.752 0.052 2 0 "[ . 1 . 2]" 1
246 1 16 CYS H 1 16 CYS HB3 2.700 . 2.700 2.293 2.241 2.333 . 0 0 "[ . 1 . 2]" 1
247 1 16 CYS H 1 17 ARG H 2.900 . 2.900 2.877 2.752 2.928 0.028 9 0 "[ . 1 . 2]" 1
248 1 16 CYS H 1 26 CYS QB 6.900 . 6.900 4.017 3.908 4.112 . 0 0 "[ . 1 . 2]" 1
249 1 16 CYS H 1 29 LEU QD 8.400 . 8.400 5.858 4.896 6.229 . 0 0 "[ . 1 . 2]" 1
250 1 16 CYS HA 1 19 GLY H 3.700 . 3.700 3.582 3.389 3.720 0.020 17 0 "[ . 1 . 2]" 1
251 1 16 CYS HB2 1 17 ARG H 3.900 . 3.900 3.811 3.751 3.856 . 0 0 "[ . 1 . 2]" 1
252 1 16 CYS HB3 1 17 ARG H 3.900 . 3.900 2.393 2.322 2.450 . 0 0 "[ . 1 . 2]" 1
253 1 16 CYS O 1 19 GLY H 2.000 . 2.000 1.988 1.789 2.057 0.057 18 0 "[ . 1 . 2]" 1
254 1 16 CYS O 1 19 GLY N 3.000 . 3.000 2.840 2.687 2.902 . 0 0 "[ . 1 . 2]" 1
255 1 16 CYS SG 1 26 CYS CB 3.100 . 3.100 3.023 3.013 3.032 . 0 0 "[ . 1 . 2]" 1
256 1 16 CYS SG 1 26 CYS SG 2.100 . 2.100 2.026 2.024 2.029 . 0 0 "[ . 1 . 2]" 1
257 1 17 ARG H 1 17 ARG HB2 3.400 . 3.400 2.091 2.056 2.107 . 0 0 "[ . 1 . 2]" 1
258 1 17 ARG H 1 17 ARG HB3 3.400 . 3.400 3.397 3.354 3.424 0.024 18 0 "[ . 1 . 2]" 1
259 1 17 ARG H 1 17 ARG HG2 3.800 . 3.800 3.519 3.107 3.802 0.002 13 0 "[ . 1 . 2]" 1
260 1 17 ARG H 1 17 ARG QG 3.600 . 3.600 3.134 2.977 3.218 . 0 0 "[ . 1 . 2]" 1
261 1 17 ARG H 1 17 ARG HG3 3.800 . 3.800 3.614 3.300 3.813 0.013 18 0 "[ . 1 . 2]" 1
262 1 17 ARG H 1 18 LEU H 2.800 . 2.800 2.632 2.592 2.702 . 0 0 "[ . 1 . 2]" 1
263 1 17 ARG H 1 19 GLY H 5.200 . 5.200 4.016 3.833 4.154 . 0 0 "[ . 1 . 2]" 1
264 1 17 ARG H 1 26 CYS QB 6.900 . 6.900 4.165 4.000 4.268 . 0 0 "[ . 1 . 2]" 1
265 1 17 ARG HA 1 20 GLY H 3.700 . 3.700 3.528 3.286 3.692 . 0 0 "[ . 1 . 2]" 1
266 1 17 ARG HA 1 21 GLY H 2.900 . 2.900 2.412 2.029 2.924 0.024 19 0 "[ . 1 . 2]" 1
267 1 17 ARG QB 1 17 ARG QG 2.500 . 2.500 2.031 2.014 2.053 . 0 0 "[ . 1 . 2]" 1
268 1 17 ARG QB 1 18 LEU H 3.000 . 3.000 2.780 2.643 2.851 . 0 0 "[ . 1 . 2]" 1
269 1 17 ARG HB2 1 17 ARG HG2 3.000 . 3.000 2.776 2.589 2.944 . 0 0 "[ . 1 . 2]" 1
270 1 17 ARG HB2 1 17 ARG HG3 3.000 . 3.000 2.248 2.199 2.295 . 0 0 "[ . 1 . 2]" 1
271 1 17 ARG HB2 1 18 LEU H 3.300 . 3.300 3.042 2.850 3.153 . 0 0 "[ . 1 . 2]" 1
272 1 17 ARG HB3 1 17 ARG HG2 3.000 . 3.000 2.860 2.696 2.981 . 0 0 "[ . 1 . 2]" 1
273 1 17 ARG HB3 1 17 ARG HG3 3.000 . 3.000 2.768 2.576 2.939 . 0 0 "[ . 1 . 2]" 1
274 1 17 ARG HB3 1 18 LEU H 3.300 . 3.300 3.219 3.110 3.269 . 0 0 "[ . 1 . 2]" 1
275 1 17 ARG QG 1 23 ARG H 6.900 . 6.900 4.842 3.891 5.778 . 0 0 "[ . 1 . 2]" 1
276 1 17 ARG O 1 20 GLY H 2.000 . 2.000 1.970 1.787 2.042 0.042 18 0 "[ . 1 . 2]" 1
277 1 17 ARG O 1 20 GLY N 3.000 . 3.000 2.887 2.717 2.984 . 0 0 "[ . 1 . 2]" 1
278 1 18 LEU H 1 18 LEU HB2 3.400 . 3.400 2.782 2.026 3.426 0.026 2 0 "[ . 1 . 2]" 1
279 1 18 LEU H 1 18 LEU HB3 3.400 . 3.400 2.657 2.051 3.432 0.032 18 0 "[ . 1 . 2]" 1
280 1 18 LEU H 1 18 LEU HG 3.200 . 3.200 3.260 3.145 3.314 0.114 3 0 "[ . 1 . 2]" 1
281 1 18 LEU H 1 19 GLY H 2.900 . 2.900 2.635 2.592 2.679 . 0 0 "[ . 1 . 2]" 1
282 1 18 LEU H 1 20 GLY H 5.200 . 5.200 4.205 4.035 4.366 . 0 0 "[ . 1 . 2]" 1
283 1 18 LEU HA 1 19 GLY H 3.400 . 3.400 3.430 3.398 3.455 0.055 16 0 "[ . 1 . 2]" 1
284 1 18 LEU HA 1 20 GLY H 3.700 . 3.700 3.732 3.673 3.760 0.060 5 0 "[ . 1 . 2]" 1
285 1 18 LEU QB 1 18 LEU HG 2.600 . 2.600 2.373 2.322 2.428 . 0 0 "[ . 1 . 2]" 1
286 1 18 LEU QB 1 19 GLY H 4.200 . 4.200 3.301 2.933 3.512 . 0 0 "[ . 1 . 2]" 1
287 1 18 LEU HG 1 19 GLY H 6.000 . 6.000 3.800 2.588 5.133 . 0 0 "[ . 1 . 2]" 1
288 1 19 GLY H 1 19 GLY HA2 2.900 . 2.900 2.935 2.922 2.942 0.042 13 0 "[ . 1 . 2]" 1
289 1 19 GLY H 1 19 GLY HA3 2.900 . 2.900 2.400 2.364 2.423 . 0 0 "[ . 1 . 2]" 1
290 1 19 GLY H 1 20 GLY H 2.900 . 2.900 2.514 2.347 2.750 . 0 0 "[ . 1 . 2]" 1
291 1 19 GLY H 1 21 GLY H 3.800 . 3.800 3.783 3.272 3.835 0.035 11 0 "[ . 1 . 2]" 1
292 1 19 GLY HA2 1 20 GLY H 3.600 . 3.600 3.116 2.938 3.276 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLY HA3 1 20 GLY H 3.600 . 3.600 3.415 3.288 3.509 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLY H 1 20 GLY HA2 2.800 . 2.800 2.296 2.288 2.306 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLY H 1 20 GLY HA3 2.800 . 2.800 2.831 2.804 2.866 0.066 18 0 "[ . 1 . 2]" 1
296 1 20 GLY H 1 21 GLY H 2.800 . 2.800 2.790 2.573 2.833 0.033 16 0 "[ . 1 . 2]" 1
297 1 21 GLY H 1 22 SER H 4.100 . 4.100 4.232 4.165 4.297 0.197 11 0 "[ . 1 . 2]" 1
298 1 21 GLY HA2 1 22 SER H 3.500 . 3.500 2.261 2.071 2.771 . 0 0 "[ . 1 . 2]" 1
299 1 21 GLY HA3 1 22 SER H 3.500 . 3.500 2.996 2.322 3.252 . 0 0 "[ . 1 . 2]" 1
300 1 22 SER H 1 22 SER HB2 3.700 . 3.700 3.201 3.002 3.258 . 0 0 "[ . 1 . 2]" 1
301 1 22 SER H 1 22 SER QB 3.400 . 3.400 2.930 2.840 2.949 . 0 0 "[ . 1 . 2]" 1
302 1 22 SER H 1 22 SER HB3 3.700 . 3.700 3.401 3.364 3.504 . 0 0 "[ . 1 . 2]" 1
303 1 22 SER H 1 23 ARG H 5.300 . 5.300 4.622 4.588 4.642 . 0 0 "[ . 1 . 2]" 1
304 1 22 SER H 1 25 ARG H 4.500 . 4.500 4.501 4.227 4.556 0.056 7 0 "[ . 1 . 2]" 1
305 1 22 SER H 1 25 ARG QB 3.800 . 3.800 3.182 2.928 3.516 . 0 0 "[ . 1 . 2]" 1
306 1 22 SER HA 1 23 ARG H 3.100 . 3.100 2.287 2.220 2.393 . 0 0 "[ . 1 . 2]" 1
307 1 22 SER HA 1 24 GLU H 4.200 . 4.200 4.212 4.048 4.262 0.062 5 0 "[ . 1 . 2]" 1
308 1 22 SER QB 1 23 ARG H 2.900 . 2.900 2.715 2.526 2.794 . 0 0 "[ . 1 . 2]" 1
309 1 22 SER QB 1 24 GLU H 3.500 . 3.500 2.732 2.369 2.992 . 0 0 "[ . 1 . 2]" 1
310 1 22 SER HB2 1 23 ARG H 3.200 . 3.200 3.186 3.088 3.229 0.029 18 0 "[ . 1 . 2]" 1
311 1 22 SER HB2 1 24 GLU H 3.900 . 3.900 2.835 2.418 3.124 . 0 0 "[ . 1 . 2]" 1
312 1 22 SER HB3 1 23 ARG H 3.200 . 3.200 2.950 2.638 3.160 . 0 0 "[ . 1 . 2]" 1
313 1 22 SER HB3 1 24 GLU H 3.900 . 3.900 3.589 3.325 3.900 0.000 11 0 "[ . 1 . 2]" 1
314 1 23 ARG H 1 23 ARG HB2 3.300 . 3.300 2.225 2.049 3.347 0.047 11 0 "[ . 1 . 2]" 1
315 1 23 ARG H 1 23 ARG HB3 3.300 . 3.300 3.196 2.036 3.430 0.130 2 0 "[ . 1 . 2]" 1
316 1 23 ARG H 1 23 ARG HD2 6.000 . 6.000 4.305 1.916 5.624 . 0 0 "[ . 1 . 2]" 1
317 1 23 ARG H 1 23 ARG HD3 6.000 . 6.000 3.894 2.119 5.641 . 0 0 "[ . 1 . 2]" 1
318 1 23 ARG H 1 24 GLU H 3.000 . 3.000 2.602 2.500 2.735 . 0 0 "[ . 1 . 2]" 1
319 1 23 ARG HA 1 24 GLU QG 5.200 . 5.200 4.766 4.729 4.784 . 0 0 "[ . 1 . 2]" 1
320 1 23 ARG HA 1 26 CYS H 4.200 . 4.200 3.927 3.649 4.097 . 0 0 "[ . 1 . 2]" 1
321 1 23 ARG HA 1 27 ALA H 5.400 . 5.400 4.433 4.103 4.910 . 0 0 "[ . 1 . 2]" 1
322 1 23 ARG QB 1 23 ARG QD 3.500 . 3.500 2.224 1.941 2.716 . 0 0 "[ . 1 . 2]" 1
323 1 23 ARG QB 1 24 GLU H 4.400 . 4.400 2.736 2.529 3.033 . 0 0 "[ . 1 . 2]" 1
324 1 23 ARG QB 1 34 ILE MD 5.200 . 5.200 2.466 1.797 3.440 0.003 8 0 "[ . 1 . 2]" 1
325 1 23 ARG QD 1 34 ILE MD 6.700 . 6.700 3.157 1.814 4.795 . 0 0 "[ . 1 . 2]" 1
326 1 23 ARG QG 1 34 ILE MD 8.000 . 8.000 2.415 1.791 4.984 0.009 15 0 "[ . 1 . 2]" 1
327 1 24 GLU H 1 24 GLU HA 2.900 . 2.900 2.841 2.830 2.846 . 0 0 "[ . 1 . 2]" 1
328 1 24 GLU H 1 24 GLU HB2 3.800 . 3.800 2.975 2.815 3.532 . 0 0 "[ . 1 . 2]" 1
329 1 24 GLU H 1 24 GLU HB3 3.800 . 3.800 3.432 2.894 3.558 . 0 0 "[ . 1 . 2]" 1
330 1 24 GLU H 1 24 GLU HG2 5.700 . 5.700 2.345 1.835 2.480 . 0 0 "[ . 1 . 2]" 1
331 1 24 GLU H 1 24 GLU HG3 5.700 . 5.700 2.030 1.988 2.333 . 0 0 "[ . 1 . 2]" 1
332 1 24 GLU H 1 25 ARG H 3.100 . 3.100 2.596 2.557 2.867 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLU H 1 27 ALA MB 7.000 . 7.000 4.383 4.162 4.760 . 0 0 "[ . 1 . 2]" 1
334 1 24 GLU HA 1 24 GLU HG2 3.800 . 3.800 2.920 2.711 3.736 . 0 0 "[ . 1 . 2]" 1
335 1 24 GLU HA 1 24 GLU HG3 3.800 . 3.800 3.608 3.576 3.694 . 0 0 "[ . 1 . 2]" 1
336 1 24 GLU HA 1 27 ALA H 3.200 . 3.200 3.238 3.200 3.333 0.133 18 0 "[ . 1 . 2]" 1
337 1 24 GLU HA 1 28 SER H 4.300 . 4.300 3.861 3.682 4.034 . 0 0 "[ . 1 . 2]" 1
338 1 24 GLU QB 1 25 ARG H 4.100 . 4.100 2.869 2.664 3.455 . 0 0 "[ . 1 . 2]" 1
339 1 24 GLU HB2 1 24 GLU HG2 3.000 . 3.000 2.990 2.973 3.003 0.003 2 0 "[ . 1 . 2]" 1
340 1 24 GLU HB2 1 24 GLU HG3 3.000 . 3.000 2.376 2.322 2.622 . 0 0 "[ . 1 . 2]" 1
341 1 24 GLU HB2 1 25 ARG H 4.500 . 4.500 2.941 2.704 3.639 . 0 0 "[ . 1 . 2]" 1
342 1 24 GLU HB3 1 24 GLU HG2 3.000 . 3.000 2.524 2.289 2.579 . 0 0 "[ . 1 . 2]" 1
343 1 24 GLU HB3 1 24 GLU HG3 3.000 . 3.000 2.989 2.972 3.001 0.001 2 0 "[ . 1 . 2]" 1
344 1 24 GLU HB3 1 25 ARG H 4.500 . 4.500 4.082 3.928 4.304 . 0 0 "[ . 1 . 2]" 1
345 1 24 GLU O 1 28 SER H 2.000 . 2.000 1.906 1.787 2.046 0.046 18 0 "[ . 1 . 2]" 1
346 1 24 GLU O 1 28 SER N 3.000 . 3.000 2.853 2.718 2.965 . 0 0 "[ . 1 . 2]" 1
347 1 25 ARG H 1 25 ARG HA 2.800 . 2.800 2.779 2.749 2.795 . 0 0 "[ . 1 . 2]" 1
348 1 25 ARG H 1 25 ARG QB 3.200 . 3.200 2.201 2.049 2.251 . 0 0 "[ . 1 . 2]" 1
349 1 25 ARG H 1 25 ARG HD2 6.000 . 6.000 4.981 4.316 5.730 . 0 0 "[ . 1 . 2]" 1
350 1 25 ARG H 1 25 ARG HD3 6.000 . 6.000 4.748 4.243 5.510 . 0 0 "[ . 1 . 2]" 1
351 1 25 ARG H 1 26 CYS H 2.800 . 2.800 2.813 2.790 2.845 0.045 2 0 "[ . 1 . 2]" 1
352 1 25 ARG HA 1 26 CYS H 3.600 . 3.600 3.543 3.526 3.560 . 0 0 "[ . 1 . 2]" 1
353 1 25 ARG HA 1 28 SER H 3.800 . 3.800 3.810 3.637 3.859 0.059 3 0 "[ . 1 . 2]" 1
354 1 25 ARG QB 1 26 CYS H 4.000 . 4.000 2.426 2.288 2.635 . 0 0 "[ . 1 . 2]" 1
355 1 25 ARG HG2 1 26 CYS H 5.100 . 5.100 4.144 3.604 4.974 . 0 0 "[ . 1 . 2]" 1
356 1 25 ARG HG3 1 26 CYS H 5.100 . 5.100 4.567 3.604 5.074 . 0 0 "[ . 1 . 2]" 1
357 1 26 CYS H 1 26 CYS HA 2.900 . 2.900 2.850 2.833 2.853 . 0 0 "[ . 1 . 2]" 1
358 1 26 CYS H 1 26 CYS HB2 3.500 . 3.500 3.148 3.107 3.196 . 0 0 "[ . 1 . 2]" 1
359 1 26 CYS H 1 26 CYS QB 3.200 . 3.200 2.931 2.911 2.950 . 0 0 "[ . 1 . 2]" 1
360 1 26 CYS H 1 26 CYS HB3 3.500 . 3.500 3.493 3.463 3.513 0.013 6 0 "[ . 1 . 2]" 1
361 1 26 CYS H 1 27 ALA H 2.900 . 2.900 2.526 2.467 2.576 . 0 0 "[ . 1 . 2]" 1
362 1 26 CYS H 1 28 SER H 5.000 . 5.000 4.244 4.086 4.450 . 0 0 "[ . 1 . 2]" 1
363 1 26 CYS HA 1 26 CYS HB2 2.900 . 2.900 2.915 2.896 2.927 0.027 6 0 "[ . 1 . 2]" 1
364 1 26 CYS HA 1 26 CYS HB3 2.900 . 2.900 2.242 2.232 2.248 . 0 0 "[ . 1 . 2]" 1
365 1 26 CYS HA 1 29 LEU H 3.500 . 3.500 3.223 3.046 3.501 0.001 12 0 "[ . 1 . 2]" 1
366 1 26 CYS QB 1 27 ALA H 3.600 . 3.600 2.841 2.762 2.902 . 0 0 "[ . 1 . 2]" 1
367 1 26 CYS QB 1 29 LEU H 6.100 . 6.100 4.569 4.374 4.924 . 0 0 "[ . 1 . 2]" 1
368 1 26 CYS HB2 1 27 ALA H 4.100 . 4.100 2.894 2.809 2.961 . 0 0 "[ . 1 . 2]" 1
369 1 26 CYS HB3 1 27 ALA H 4.100 . 4.100 4.131 4.087 4.163 0.063 7 0 "[ . 1 . 2]" 1
370 1 26 CYS O 1 30 SER H 2.000 . 2.000 1.836 1.772 1.968 0.028 12 0 "[ . 1 . 2]" 1
371 1 26 CYS O 1 30 SER N 3.000 . 3.000 2.791 2.708 2.931 . 0 0 "[ . 1 . 2]" 1
372 1 27 ALA H 1 27 ALA MB 3.400 . 3.400 2.148 2.023 2.256 . 0 0 "[ . 1 . 2]" 1
373 1 27 ALA H 1 28 SER H 2.900 . 2.900 2.793 2.659 2.900 0.000 7 0 "[ . 1 . 2]" 1
374 1 27 ALA H 1 29 LEU H 6.800 . 6.800 3.925 3.762 4.144 . 0 0 "[ . 1 . 2]" 1
375 1 27 ALA H 1 34 ILE MD 7.000 . 7.000 5.137 4.144 5.587 . 0 0 "[ . 1 . 2]" 1
376 1 27 ALA HA 1 30 SER H 3.800 . 3.800 3.805 3.643 3.836 0.036 3 0 "[ . 1 . 2]" 1
377 1 27 ALA HA 1 34 ILE MD 7.000 . 7.000 5.379 3.957 5.729 . 0 0 "[ . 1 . 2]" 1
378 1 27 ALA MB 1 28 SER H 4.200 . 4.200 2.487 2.273 2.671 . 0 0 "[ . 1 . 2]" 1
379 1 27 ALA MB 1 31 GLY H 7.500 . 7.500 4.253 3.992 4.876 . 0 0 "[ . 1 . 2]" 1
380 1 27 ALA MB 1 32 CYS H 7.000 . 7.000 3.715 3.337 4.207 . 0 0 "[ . 1 . 2]" 1
381 1 27 ALA MB 1 34 ILE H 6.700 . 6.700 4.523 3.799 5.526 . 0 0 "[ . 1 . 2]" 1
382 1 27 ALA MB 1 34 ILE MD 5.500 . 5.500 3.470 2.309 3.777 . 0 0 "[ . 1 . 2]" 1
383 1 28 SER H 1 28 SER HA 2.800 . 2.800 2.838 2.823 2.846 0.046 18 0 "[ . 1 . 2]" 1
384 1 28 SER H 1 28 SER QB 3.500 . 3.500 2.416 2.170 2.716 . 0 0 "[ . 1 . 2]" 1
385 1 28 SER H 1 29 LEU H 2.900 . 2.900 2.509 2.456 2.586 . 0 0 "[ . 1 . 2]" 1
386 1 28 SER QB 1 29 LEU H 4.400 . 4.400 3.159 2.554 3.595 . 0 0 "[ . 1 . 2]" 1
387 1 29 LEU H 1 29 LEU HA 2.900 . 2.900 2.839 2.834 2.843 . 0 0 "[ . 1 . 2]" 1
388 1 29 LEU H 1 29 LEU HB2 3.200 . 3.200 2.108 2.039 2.167 . 0 0 "[ . 1 . 2]" 1
389 1 29 LEU H 1 29 LEU HB3 3.200 . 3.200 3.048 2.937 3.208 0.008 11 0 "[ . 1 . 2]" 1
390 1 29 LEU H 1 30 SER H 2.800 . 2.800 2.734 2.597 2.802 0.002 4 0 "[ . 1 . 2]" 1
391 1 29 LEU HB2 1 30 SER H 3.200 . 3.200 3.189 2.956 3.217 0.017 20 0 "[ . 1 . 2]" 1
392 1 29 LEU HB3 1 30 SER H 3.200 . 3.200 2.399 2.108 2.916 . 0 0 "[ . 1 . 2]" 1
393 1 29 LEU QD 1 30 SER H 7.900 . 7.900 3.637 3.278 4.016 . 0 0 "[ . 1 . 2]" 1
394 1 30 SER H 1 30 SER HA 2.900 . 2.900 2.907 2.853 2.935 0.035 3 0 "[ . 1 . 2]" 1
395 1 30 SER H 1 30 SER HB2 3.900 . 3.900 2.397 2.191 3.592 . 0 0 "[ . 1 . 2]" 1
396 1 30 SER H 1 30 SER QB 3.600 . 3.600 2.264 2.158 2.954 . 0 0 "[ . 1 . 2]" 1
397 1 30 SER H 1 30 SER HB3 3.900 . 3.900 3.163 2.406 3.470 . 0 0 "[ . 1 . 2]" 1
398 1 30 SER H 1 31 GLY H 2.800 . 2.800 2.566 2.255 2.824 0.024 11 0 "[ . 1 . 2]" 1
399 1 30 SER HA 1 31 GLY H 3.600 . 3.600 3.554 3.470 3.591 . 0 0 "[ . 1 . 2]" 1
400 1 30 SER QB 1 31 GLY H 3.600 . 3.600 2.428 1.851 3.302 . 0 0 "[ . 1 . 2]" 1
401 1 30 SER HB2 1 31 GLY H 3.900 . 3.900 3.067 2.440 3.774 . 0 0 "[ . 1 . 2]" 1
402 1 30 SER HB3 1 31 GLY H 3.900 . 3.900 2.626 1.867 3.882 . 0 0 "[ . 1 . 2]" 1
403 1 31 GLY H 1 31 GLY QA 2.600 . 2.600 2.361 2.256 2.475 . 0 0 "[ . 1 . 2]" 1
404 1 31 GLY QA 1 32 CYS H 3.200 . 3.200 2.772 2.366 2.943 . 0 0 "[ . 1 . 2]" 1
405 1 31 GLY HA2 1 32 CYS H 3.500 . 3.500 2.924 2.404 3.317 . 0 0 "[ . 1 . 2]" 1
406 1 31 GLY HA3 1 32 CYS H 3.500 . 3.500 3.486 3.290 3.544 0.044 2 0 "[ . 1 . 2]" 1
407 1 32 CYS H 1 32 CYS HB2 3.500 . 3.500 2.381 2.210 2.978 . 0 0 "[ . 1 . 2]" 1
408 1 32 CYS H 1 32 CYS HB3 3.500 . 3.500 3.547 3.507 3.578 0.078 5 0 "[ . 1 . 2]" 1
409 1 32 CYS H 1 33 LYS H 5.300 . 5.300 4.430 4.023 4.610 . 0 0 "[ . 1 . 2]" 1
410 1 32 CYS HA 1 33 LYS H 3.300 . 3.300 2.705 2.267 3.241 . 0 0 "[ . 1 . 2]" 1
411 1 32 CYS HA 1 33 LYS QB 4.800 . 4.800 3.944 3.778 4.089 . 0 0 "[ . 1 . 2]" 1
412 1 32 CYS HA 1 44 TYR CG 6.800 . 6.800 6.557 5.613 6.992 0.192 18 0 "[ . 1 . 2]" 1
413 1 32 CYS HA 1 44 TYR CZ 6.200 . 6.200 6.115 5.449 6.436 0.236 11 0 "[ . 1 . 2]" 1
414 1 32 CYS QB 1 33 LYS H 3.100 . 3.100 1.963 1.695 2.779 0.105 3 0 "[ . 1 . 2]" 1
415 1 32 CYS HB2 1 33 LYS H 3.400 . 3.400 3.147 2.331 3.425 0.025 10 0 "[ . 1 . 2]" 1
416 1 32 CYS HB3 1 33 LYS H 3.400 . 3.400 1.993 1.731 2.939 0.069 3 0 "[ . 1 . 2]" 1
417 1 33 LYS H 1 33 LYS HB2 3.500 . 3.500 2.813 2.399 3.525 0.025 10 0 "[ . 1 . 2]" 1
418 1 33 LYS H 1 33 LYS QB 3.200 . 3.200 2.546 2.329 2.890 . 0 0 "[ . 1 . 2]" 1
419 1 33 LYS H 1 33 LYS HB3 3.500 . 3.500 3.091 2.591 3.516 0.016 3 0 "[ . 1 . 2]" 1
420 1 33 LYS H 1 33 LYS QD 5.400 . 5.400 4.414 3.141 4.704 . 0 0 "[ . 1 . 2]" 1
421 1 33 LYS H 1 33 LYS HE2 5.400 . 5.400 5.056 4.233 5.436 0.036 9 0 "[ . 1 . 2]" 1
422 1 33 LYS H 1 33 LYS HE3 5.400 . 5.400 5.107 4.190 5.415 0.015 12 0 "[ . 1 . 2]" 1
423 1 33 LYS H 1 34 ILE H 5.200 . 5.200 4.277 3.799 4.448 . 0 0 "[ . 1 . 2]" 1
424 1 33 LYS H 1 44 TYR CG 7.900 . 7.900 6.359 5.350 7.812 . 0 0 "[ . 1 . 2]" 1
425 1 33 LYS H 1 44 TYR CZ 8.000 . 8.000 6.123 4.641 7.868 . 0 0 "[ . 1 . 2]" 1
426 1 33 LYS HA 1 34 ILE H 2.500 . 2.500 2.188 2.134 2.372 . 0 0 "[ . 1 . 2]" 1
427 1 33 LYS QB 1 44 TYR CG 8.900 . 8.900 5.106 4.017 6.412 . 0 0 "[ . 1 . 2]" 1
428 1 33 LYS QB 1 44 TYR CZ 8.900 . 8.900 4.429 2.704 7.243 . 0 0 "[ . 1 . 2]" 1
429 1 33 LYS HB2 1 34 ILE H 4.500 . 4.500 4.332 3.580 4.547 0.047 3 0 "[ . 1 . 2]" 1
430 1 33 LYS HB3 1 34 ILE H 4.500 . 4.500 3.781 2.961 4.298 . 0 0 "[ . 1 . 2]" 1
431 1 33 LYS QD 1 34 ILE H 7.000 . 7.000 2.971 1.982 4.962 . 0 0 "[ . 1 . 2]" 1
432 1 33 LYS QD 1 44 TYR CG 9.000 . 9.000 7.390 5.640 8.083 . 0 0 "[ . 1 . 2]" 1
433 1 34 ILE H 1 34 ILE HA 2.900 . 2.900 2.899 2.837 2.937 0.037 15 0 "[ . 1 . 2]" 1
434 1 34 ILE H 1 34 ILE HB 3.100 . 3.100 2.601 2.107 2.979 . 0 0 "[ . 1 . 2]" 1
435 1 34 ILE H 1 34 ILE MD 5.800 . 5.800 3.697 1.866 4.482 . 0 0 "[ . 1 . 2]" 1
436 1 34 ILE H 1 34 ILE HG12 5.500 . 5.500 4.133 1.990 4.759 . 0 0 "[ . 1 . 2]" 1
437 1 34 ILE H 1 34 ILE HG13 5.500 . 5.500 4.256 3.568 4.580 . 0 0 "[ . 1 . 2]" 1
438 1 34 ILE H 1 35 ILE H 5.000 . 5.000 4.382 3.836 4.590 . 0 0 "[ . 1 . 2]" 1
439 1 34 ILE HA 1 34 ILE MD 4.400 . 4.400 2.449 1.917 3.387 . 0 0 "[ . 1 . 2]" 1
440 1 34 ILE HA 1 35 ILE H 2.400 . 2.400 2.187 2.139 2.355 . 0 0 "[ . 1 . 2]" 1
441 1 34 ILE MD 1 35 ILE H 5.300 . 5.300 3.760 2.645 4.443 . 0 0 "[ . 1 . 2]" 1
442 1 35 ILE H 1 35 ILE HB 3.500 . 3.500 3.158 2.556 3.579 0.079 7 0 "[ . 1 . 2]" 1
443 1 35 ILE HB 1 36 SER H 3.300 . 3.300 2.488 1.790 3.323 0.023 8 0 "[ . 1 . 2]" 1
444 1 35 ILE HB 1 38 SER H 4.000 . 4.000 3.723 2.604 4.074 0.074 2 0 "[ . 1 . 2]" 1
445 1 35 ILE QG 1 36 SER H . . 6.200 2.225 1.717 3.279 0.083 2 0 "[ . 1 . 2]" 1
446 1 36 SER H 1 38 SER HA 5.200 . 5.200 5.196 4.810 5.256 0.056 11 0 "[ . 1 . 2]" 1
447 1 36 SER HA 1 37 ALA H 3.400 . 3.400 2.864 2.244 3.506 0.106 14 0 "[ . 1 . 2]" 1
448 1 37 ALA H 1 38 SER H 6.000 . 6.000 2.534 1.876 3.094 . 0 0 "[ . 1 . 2]" 1
449 1 37 ALA HA 1 38 SER H 3.500 . 3.500 3.306 2.689 3.556 0.056 18 0 "[ . 1 . 2]" 1
450 1 37 ALA MB 1 39 THR H 4.200 . 4.200 3.167 2.836 3.379 . 0 0 "[ . 1 . 2]" 1
451 1 38 SER H 1 38 SER HB2 4.200 . 4.200 3.235 2.961 3.915 . 0 0 "[ . 1 . 2]" 1
452 1 38 SER H 1 38 SER QB 3.800 . 3.800 3.091 2.849 3.503 . 0 0 "[ . 1 . 2]" 1
453 1 38 SER H 1 38 SER HB3 4.200 . 4.200 3.951 3.704 4.113 . 0 0 "[ . 1 . 2]" 1
454 1 38 SER HA 1 38 SER HB2 2.900 . 2.900 2.889 2.779 2.969 0.069 11 0 "[ . 1 . 2]" 1
455 1 38 SER HA 1 38 SER HB3 2.900 . 2.900 2.782 2.273 2.911 0.011 3 0 "[ . 1 . 2]" 1
456 1 38 SER HA 1 39 THR H 3.600 . 3.600 3.539 3.150 3.576 . 0 0 "[ . 1 . 2]" 1
457 1 38 SER QB 1 39 THR HA 4.400 . 4.400 3.745 3.631 4.089 . 0 0 "[ . 1 . 2]" 1
458 1 39 THR H 1 39 THR HB 2.900 . 2.900 2.771 2.510 2.922 0.022 11 0 "[ . 1 . 2]" 1
459 1 39 THR HA 1 40 CYS H 3.600 . 3.600 2.333 2.134 3.557 . 0 0 "[ . 1 . 2]" 1
460 1 39 THR HB 1 40 CYS H 4.000 . 4.000 3.873 2.410 4.030 0.030 11 0 "[ . 1 . 2]" 1
461 1 39 THR HG1 1 40 CYS H 7.000 . 7.000 2.800 1.719 3.388 0.081 8 0 "[ . 1 . 2]" 1
462 1 40 CYS H 1 45 PRO QD 8.000 . 8.000 6.659 5.209 7.210 . 0 0 "[ . 1 . 2]" 1
463 1 40 CYS HA 1 41 PRO HB2 5.600 . 5.600 5.523 4.983 5.634 0.034 11 0 "[ . 1 . 2]" 1
464 1 40 CYS HA 1 41 PRO QB 5.300 . 5.300 4.666 4.552 4.774 . 0 0 "[ . 1 . 2]" 1
465 1 40 CYS HA 1 41 PRO HB3 5.600 . 5.600 5.057 4.827 5.565 . 0 0 "[ . 1 . 2]" 1
466 1 40 CYS HA 1 41 PRO HD2 2.800 . 2.800 2.281 1.998 2.827 0.027 13 0 "[ . 1 . 2]" 1
467 1 40 CYS HA 1 41 PRO QD 2.500 . 2.500 2.056 1.909 2.170 . 0 0 "[ . 1 . 2]" 1
468 1 40 CYS HA 1 41 PRO HD3 2.800 . 2.800 2.409 1.982 2.619 . 0 0 "[ . 1 . 2]" 1
469 1 40 CYS QB 1 41 PRO QD 4.500 . 4.500 2.466 1.643 3.300 0.157 2 0 "[ . 1 . 2]" 1
470 1 40 CYS QB 1 45 PRO HA 5.600 . 5.600 4.026 3.113 4.922 . 0 0 "[ . 1 . 2]" 1
471 1 41 PRO QB 1 42 SER H 4.000 . 4.000 2.081 1.566 2.786 0.234 7 0 "[ . 1 . 2]" 1
472 1 41 PRO QB 1 44 TYR CG 8.200 . 8.200 6.552 4.208 7.317 . 0 0 "[ . 1 . 2]" 1
473 1 41 PRO QG 1 44 TYR H 6.100 . 6.100 4.761 3.375 5.356 . 0 0 "[ . 1 . 2]" 1
474 1 42 SER H 1 42 SER HB2 3.700 . 3.700 2.678 2.088 3.596 . 0 0 "[ . 1 . 2]" 1
475 1 42 SER H 1 42 SER HB3 3.700 . 3.700 3.030 2.246 3.599 . 0 0 "[ . 1 . 2]" 1
476 1 42 SER H 1 43 ASP H 3.800 . 3.800 3.231 2.784 3.642 . 0 0 "[ . 1 . 2]" 1
477 1 42 SER QB 1 43 ASP H 3.500 . 3.500 2.201 1.878 3.275 . 0 0 "[ . 1 . 2]" 1
478 1 42 SER HB2 1 43 ASP H 3.800 . 3.800 2.723 1.986 3.591 . 0 0 "[ . 1 . 2]" 1
479 1 42 SER HB3 1 43 ASP H 3.800 . 3.800 2.561 1.910 3.777 . 0 0 "[ . 1 . 2]" 1
480 1 43 ASP H 1 43 ASP QB 3.800 . 3.800 3.009 2.652 3.442 . 0 0 "[ . 1 . 2]" 1
481 1 43 ASP H 1 44 TYR CG 8.000 . 8.000 3.833 3.264 5.397 . 0 0 "[ . 1 . 2]" 1
482 1 43 ASP H 1 44 TYR CZ 8.000 . 8.000 4.710 3.560 7.900 . 0 0 "[ . 1 . 2]" 1
483 1 43 ASP H 1 44 TYR H 2.700 . 2.700 2.072 1.749 2.751 0.051 18 0 "[ . 1 . 2]" 1
484 1 43 ASP QB 1 44 TYR CG 8.600 . 8.600 5.481 4.310 6.192 . 0 0 "[ . 1 . 2]" 1
485 1 43 ASP QB 1 44 TYR CZ 9.000 . 9.000 6.470 5.054 8.088 . 0 0 "[ . 1 . 2]" 1
486 1 44 TYR H 1 44 TYR HA 2.900 . 2.900 2.910 2.806 2.938 0.038 6 0 "[ . 1 . 2]" 1
487 1 44 TYR H 1 44 TYR HB2 3.700 . 3.700 3.074 2.212 3.781 0.081 1 0 "[ . 1 . 2]" 1
488 1 44 TYR H 1 44 TYR QB 3.400 . 3.400 2.744 2.148 3.126 . 0 0 "[ . 1 . 2]" 1
489 1 44 TYR H 1 44 TYR HB3 3.700 . 3.700 3.349 2.769 3.721 0.021 8 0 "[ . 1 . 2]" 1
490 1 44 TYR H 1 45 PRO QD 5.200 . 5.200 3.805 2.753 4.423 . 0 0 "[ . 1 . 2]" 1
491 1 45 PRO HA 1 46 LYS H 3.500 . 3.500 3.093 2.184 3.562 0.062 20 0 "[ . 1 . 2]" 1
492 1 45 PRO QD 1 46 LYS H 5.500 . 5.500 3.292 1.973 4.812 . 0 0 "[ . 1 . 2]" 1
493 1 45 PRO QD 1 46 LYS QB 6.900 . 6.900 4.550 3.030 5.529 . 0 0 "[ . 1 . 2]" 1
494 1 46 LYS H 1 46 LYS HA 2.900 . 2.900 2.869 2.769 2.937 0.037 17 0 "[ . 1 . 2]" 1
495 1 46 LYS H 1 46 LYS HB2 3.600 . 3.600 2.970 2.073 3.632 0.032 9 0 "[ . 1 . 2]" 1
496 1 46 LYS H 1 46 LYS HB3 3.600 . 3.600 2.916 2.046 3.786 0.186 2 0 "[ . 1 . 2]" 1
497 1 46 LYS HA 1 46 LYS HB2 2.900 . 2.900 2.567 2.238 2.936 0.036 20 0 "[ . 1 . 2]" 1
498 1 46 LYS HA 1 46 LYS HB3 2.900 . 2.900 2.880 2.607 3.002 0.102 6 0 "[ . 1 . 2]" 1
499 1 46 LYS HA 1 46 LYS QD 5.000 . 5.000 3.163 1.915 4.258 . 0 0 "[ . 1 . 2]" 1
500 1 46 LYS HA 1 46 LYS HE2 6.000 . 6.000 4.925 3.297 5.915 . 0 0 "[ . 1 . 2]" 1
501 1 46 LYS HA 1 46 LYS QE 5.400 . 5.400 4.329 3.096 4.931 . 0 0 "[ . 1 . 2]" 1
502 1 46 LYS HA 1 46 LYS HE3 6.000 . 6.000 4.872 3.756 5.869 . 0 0 "[ . 1 . 2]" 1
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