NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382668 |
1jmn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jmn
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 720
_Distance_constraint_stats_list.Viol_count 1694
_Distance_constraint_stats_list.Viol_total 1010.262
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0298
_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 0.368 0.030 13 0 "[ . 1 . 2]"
1 2 SER 0.746 0.065 12 0 "[ . 1 . 2]"
1 3 CYS 0.239 0.046 18 0 "[ . 1 . 2]"
1 4 CYS 0.176 0.026 9 0 "[ . 1 . 2]"
1 5 PRO 0.098 0.011 1 0 "[ . 1 . 2]"
1 6 ASN 0.561 0.036 2 0 "[ . 1 . 2]"
1 7 THR 0.941 0.062 14 0 "[ . 1 . 2]"
1 8 THR 2.824 0.062 14 0 "[ . 1 . 2]"
1 9 GLY 1.722 0.051 18 0 "[ . 1 . 2]"
1 10 ARG 1.730 0.137 11 0 "[ . 1 . 2]"
1 11 ASN 2.189 0.250 7 0 "[ . 1 . 2]"
1 12 ILE 1.339 0.250 7 0 "[ . 1 . 2]"
1 13 TYR 1.240 0.079 17 0 "[ . 1 . 2]"
1 14 ASN 4.165 0.079 17 0 "[ . 1 . 2]"
1 15 THR 1.626 0.111 16 0 "[ . 1 . 2]"
1 16 CYS 2.261 0.068 16 0 "[ . 1 . 2]"
1 17 ARG 3.469 0.090 20 0 "[ . 1 . 2]"
1 18 PHE 3.271 0.122 5 0 "[ . 1 . 2]"
1 19 GLY 2.845 0.122 5 0 "[ . 1 . 2]"
1 20 GLY 0.241 0.025 2 0 "[ . 1 . 2]"
1 21 GLY 0.574 0.054 17 0 "[ . 1 . 2]"
1 22 SER 2.717 0.174 14 0 "[ . 1 . 2]"
1 23 ARG 7.315 0.174 14 0 "[ . 1 . 2]"
1 24 GLN 2.279 0.056 6 0 "[ . 1 . 2]"
1 25 VAL 2.575 0.089 5 0 "[ . 1 . 2]"
1 26 CYS 1.590 0.070 14 0 "[ . 1 . 2]"
1 27 ALA 4.415 0.059 20 0 "[ . 1 . 2]"
1 28 SER 2.500 0.075 20 0 "[ . 1 . 2]"
1 29 LEU 3.022 0.110 19 0 "[ . 1 . 2]"
1 30 SER 1.320 0.053 18 0 "[ . 1 . 2]"
1 31 GLY 0.818 0.053 19 0 "[ . 1 . 2]"
1 32 CYS 0.846 0.060 8 0 "[ . 1 . 2]"
1 33 LYS 1.504 0.108 18 0 "[ . 1 . 2]"
1 34 ILE 0.111 0.021 2 0 "[ . 1 . 2]"
1 35 ILE 0.115 0.023 13 0 "[ . 1 . 2]"
1 36 SER 0.027 0.017 5 0 "[ . 1 . 2]"
1 37 ALA 0.363 0.047 5 0 "[ . 1 . 2]"
1 38 SER 2.365 0.115 2 0 "[ . 1 . 2]"
1 39 THR 1.854 0.092 6 0 "[ . 1 . 2]"
1 40 CYS 1.752 0.101 8 0 "[ . 1 . 2]"
1 41 PRO 0.466 0.102 6 0 "[ . 1 . 2]"
1 42 SER 2.076 0.133 10 0 "[ . 1 . 2]"
1 43 ASP 3.065 0.121 17 0 "[ . 1 . 2]"
1 44 TYR 0.108 0.011 1 0 "[ . 1 . 2]"
1 45 PRO 0.017 0.007 15 0 "[ . 1 . 2]"
1 46 LYS 0.902 0.088 9 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 QD 4.700 . 4.700 3.916 2.145 4.497 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 1 LYS QG 3.700 . 3.700 3.279 2.297 3.419 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS HA 1 2 SER H 2.500 . 2.500 2.470 2.138 2.530 0.030 13 0 "[ . 1 . 2]" 1
4 1 1 LYS HA 1 10 ARG HE 6.500 . 6.500 6.153 4.972 6.458 . 0 0 "[ . 1 . 2]" 1
5 1 1 LYS QB 1 2 SER H 3.800 . 3.800 2.392 2.183 3.399 . 0 0 "[ . 1 . 2]" 1
6 1 1 LYS QB 1 2 SER HA 5.700 . 5.700 4.217 4.109 4.739 . 0 0 "[ . 1 . 2]" 1
7 1 1 LYS QB 1 35 ILE H 7.200 . 7.200 5.710 4.254 6.237 . 0 0 "[ . 1 . 2]" 1
8 1 1 LYS HB2 1 2 SER H 4.200 . 4.200 2.476 2.201 3.992 . 0 0 "[ . 1 . 2]" 1
9 1 1 LYS HB3 1 2 SER H 4.200 . 4.200 3.706 3.622 4.229 0.029 16 0 "[ . 1 . 2]" 1
10 1 1 LYS QD 1 2 SER H 5.700 . 5.700 4.542 2.585 5.355 . 0 0 "[ . 1 . 2]" 1
11 1 1 LYS QD 1 39 THR HA 4.800 . 4.800 4.543 2.932 4.809 0.009 2 0 "[ . 1 . 2]" 1
12 1 1 LYS QE 1 39 THR HA 4.400 . 4.400 3.930 2.330 4.408 0.008 2 0 "[ . 1 . 2]" 1
13 1 1 LYS QG 1 2 SER H 5.100 . 5.100 3.206 1.957 4.416 . 0 0 "[ . 1 . 2]" 1
14 1 1 LYS QG 1 35 ILE H 5.200 . 5.200 4.428 3.897 5.144 . 0 0 "[ . 1 . 2]" 1
15 1 1 LYS QG 1 40 CYS H 5.500 . 5.500 5.491 5.294 5.520 0.020 13 0 "[ . 1 . 2]" 1
16 1 2 SER H 1 2 SER HA 2.800 . 2.800 2.814 2.724 2.865 0.065 12 0 "[ . 1 . 2]" 1
17 1 2 SER H 1 2 SER HB2 4.100 . 4.100 3.372 2.731 3.937 . 0 0 "[ . 1 . 2]" 1
18 1 2 SER H 1 2 SER QB 3.700 . 3.700 2.937 2.183 3.322 . 0 0 "[ . 1 . 2]" 1
19 1 2 SER H 1 2 SER HB3 4.100 . 4.100 3.393 2.295 3.861 . 0 0 "[ . 1 . 2]" 1
20 1 2 SER H 1 34 ILE MD 7.500 . 7.500 6.002 4.693 6.934 . 0 0 "[ . 1 . 2]" 1
21 1 2 SER HA 1 3 CYS H 2.400 . 2.400 2.329 2.138 2.400 . 0 0 "[ . 1 . 2]" 1
22 1 2 SER HA 1 35 ILE H 2.800 . 2.800 2.789 2.753 2.812 0.012 16 0 "[ . 1 . 2]" 1
23 1 2 SER QB 1 3 CYS H 4.400 . 4.400 2.754 2.410 3.803 . 0 0 "[ . 1 . 2]" 1
24 1 2 SER QB 1 34 ILE MD 3.800 . 3.800 3.202 2.356 3.631 . 0 0 "[ . 1 . 2]" 1
25 1 2 SER HB2 1 3 CYS H 5.200 . 5.200 3.343 2.445 4.450 . 0 0 "[ . 1 . 2]" 1
26 1 2 SER HB2 1 34 ILE MD 4.100 . 4.100 3.609 2.498 4.080 . 0 0 "[ . 1 . 2]" 1
27 1 2 SER HB3 1 3 CYS H 5.200 . 5.200 3.418 2.469 4.399 . 0 0 "[ . 1 . 2]" 1
28 1 2 SER HB3 1 34 ILE MD 4.100 . 4.100 3.693 2.623 4.070 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS CB 1 40 CYS SG 3.100 . 3.100 3.008 2.967 3.041 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS H 1 3 CYS QB 3.700 . 3.700 2.205 2.041 2.630 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS H 1 4 CYS H 5.200 . 5.200 4.037 3.862 4.171 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS H 1 32 CYS QB 7.400 . 7.400 3.390 2.955 3.774 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS H 1 33 LYS H 3.400 . 3.400 3.081 2.446 3.396 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS H 1 33 LYS QD 7.500 . 7.500 5.523 3.238 6.422 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS H 1 33 LYS QG 6.800 . 6.800 4.959 4.333 5.517 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS H 1 33 LYS O 2.000 . 2.000 1.963 1.829 2.016 0.016 11 0 "[ . 1 . 2]" 1
37 1 3 CYS H 1 34 ILE HA 4.100 . 4.100 4.014 3.824 4.121 0.021 2 0 "[ . 1 . 2]" 1
38 1 3 CYS H 1 34 ILE QG 7.500 . 7.500 5.075 4.942 5.165 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS H 1 35 ILE H 5.400 . 5.400 4.040 3.509 4.444 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS H 1 35 ILE MD 5.800 . 5.800 4.644 1.940 5.805 0.005 7 0 "[ . 1 . 2]" 1
41 1 3 CYS HA 1 44 TYR CG 6.400 . 6.400 6.211 5.953 6.349 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS HA 1 44 TYR CZ 8.500 . 8.500 7.368 6.655 7.812 . 0 0 "[ . 1 . 2]" 1
43 1 3 CYS QB 1 4 CYS HA 5.800 . 5.800 4.222 4.151 4.280 . 0 0 "[ . 1 . 2]" 1
44 1 3 CYS QB 1 33 LYS H 5.900 . 5.900 3.052 2.313 3.759 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS QB 1 41 PRO QD 8.200 . 8.200 3.674 2.453 4.993 . 0 0 "[ . 1 . 2]" 1
46 1 3 CYS QB 1 44 TYR CG 9.500 . 9.500 4.806 4.452 5.104 . 0 0 "[ . 1 . 2]" 1
47 1 3 CYS QB 1 44 TYR CZ 9.500 . 9.500 5.156 4.561 5.596 . 0 0 "[ . 1 . 2]" 1
48 1 3 CYS N 1 33 LYS O 3.000 . 3.000 2.894 2.672 2.985 . 0 0 "[ . 1 . 2]" 1
49 1 3 CYS O 1 33 LYS H 2.000 . 2.000 1.928 1.754 2.006 0.046 18 0 "[ . 1 . 2]" 1
50 1 3 CYS O 1 33 LYS N 3.000 . 3.000 2.870 2.668 2.963 . 0 0 "[ . 1 . 2]" 1
51 1 3 CYS SG 1 40 CYS CB 3.100 . 3.100 3.001 2.965 3.032 . 0 0 "[ . 1 . 2]" 1
52 1 3 CYS SG 1 40 CYS SG 2.100 . 2.100 2.007 1.958 2.032 . 0 0 "[ . 1 . 2]" 1
53 1 4 CYS CB 1 32 CYS SG 3.100 . 3.100 3.003 2.970 3.041 . 0 0 "[ . 1 . 2]" 1
54 1 4 CYS H 1 4 CYS QB 3.500 . 3.500 2.363 2.299 2.469 . 0 0 "[ . 1 . 2]" 1
55 1 4 CYS H 1 10 ARG HE 6.500 . 6.500 6.133 5.255 6.513 0.013 20 0 "[ . 1 . 2]" 1
56 1 4 CYS H 1 32 CYS QB 7.400 . 7.400 3.635 3.413 3.806 . 0 0 "[ . 1 . 2]" 1
57 1 4 CYS H 1 44 TYR CG 8.500 . 8.500 5.945 5.781 6.120 . 0 0 "[ . 1 . 2]" 1
58 1 4 CYS H 1 44 TYR HA 6.500 . 6.500 6.376 6.030 6.508 0.008 6 0 "[ . 1 . 2]" 1
59 1 4 CYS H 1 44 TYR QB 7.400 . 7.400 4.911 4.560 5.175 . 0 0 "[ . 1 . 2]" 1
60 1 4 CYS H 1 46 LYS H 3.400 . 3.400 2.568 2.007 2.888 . 0 0 "[ . 1 . 2]" 1
61 1 4 CYS H 1 46 LYS QB 6.100 . 6.100 3.960 2.827 4.432 . 0 0 "[ . 1 . 2]" 1
62 1 4 CYS HA 1 5 PRO HD2 3.300 . 3.300 2.279 1.991 2.502 . 0 0 "[ . 1 . 2]" 1
63 1 4 CYS HA 1 5 PRO HD3 3.300 . 3.300 2.488 2.341 2.679 . 0 0 "[ . 1 . 2]" 1
64 1 4 CYS HA 1 32 CYS HA 3.600 . 3.600 2.829 2.422 3.202 . 0 0 "[ . 1 . 2]" 1
65 1 4 CYS HA 1 32 CYS HB2 6.500 . 6.500 4.191 3.696 4.727 . 0 0 "[ . 1 . 2]" 1
66 1 4 CYS HA 1 32 CYS QB 5.900 . 5.900 2.661 2.159 3.191 . 0 0 "[ . 1 . 2]" 1
67 1 4 CYS HA 1 32 CYS HB3 6.500 . 6.500 2.693 2.173 3.244 . 0 0 "[ . 1 . 2]" 1
68 1 4 CYS HA 1 33 LYS H 5.300 . 5.300 3.571 3.207 3.939 . 0 0 "[ . 1 . 2]" 1
69 1 4 CYS HA 1 44 TYR CG 6.800 . 6.800 5.341 5.048 5.533 . 0 0 "[ . 1 . 2]" 1
70 1 4 CYS HA 1 44 TYR CZ 8.500 . 8.500 5.665 5.290 6.138 . 0 0 "[ . 1 . 2]" 1
71 1 4 CYS QB 1 5 PRO QD 5.400 . 5.400 2.426 1.937 3.097 . 0 0 "[ . 1 . 2]" 1
72 1 4 CYS QB 1 6 ASN H 5.200 . 5.200 2.999 2.500 3.870 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS QB 1 10 ARG H 6.100 . 6.100 3.463 2.932 3.917 . 0 0 "[ . 1 . 2]" 1
74 1 4 CYS QB 1 10 ARG HE 6.500 . 6.500 4.705 3.674 5.603 . 0 0 "[ . 1 . 2]" 1
75 1 4 CYS QB 1 10 ARG QG 7.700 . 7.700 4.663 2.408 6.068 . 0 0 "[ . 1 . 2]" 1
76 1 4 CYS QB 1 46 LYS H 7.500 . 7.500 3.790 3.593 4.029 . 0 0 "[ . 1 . 2]" 1
77 1 4 CYS QB 1 46 LYS QB 5.300 . 5.300 3.263 2.096 3.804 . 0 0 "[ . 1 . 2]" 1
78 1 4 CYS O 1 46 LYS H 2.000 . 2.000 1.990 1.823 2.026 0.026 9 0 "[ . 1 . 2]" 1
79 1 4 CYS O 1 46 LYS N 3.000 . 3.000 2.705 2.583 2.882 . 0 0 "[ . 1 . 2]" 1
80 1 4 CYS SG 1 32 CYS CB 3.100 . 3.100 2.994 2.951 3.044 . 0 0 "[ . 1 . 2]" 1
81 1 4 CYS SG 1 32 CYS SG 2.100 . 2.100 1.990 1.950 2.035 . 0 0 "[ . 1 . 2]" 1
82 1 5 PRO HA 1 44 TYR HB2 3.200 . 3.200 2.139 1.977 2.320 . 0 0 "[ . 1 . 2]" 1
83 1 5 PRO HA 1 44 TYR HB3 3.200 . 3.200 3.184 3.008 3.211 0.011 1 0 "[ . 1 . 2]" 1
84 1 5 PRO HA 1 45 PRO QD 7.500 . 7.500 5.843 5.600 6.022 . 0 0 "[ . 1 . 2]" 1
85 1 5 PRO QB 1 6 ASN H 4.000 . 4.000 2.751 1.908 3.423 . 0 0 "[ . 1 . 2]" 1
86 1 5 PRO QB 1 6 ASN QD 5.200 . 5.200 2.935 1.874 4.133 . 0 0 "[ . 1 . 2]" 1
87 1 5 PRO QB 1 44 TYR CG 6.000 . 6.000 3.931 3.443 4.441 . 0 0 "[ . 1 . 2]" 1
88 1 5 PRO QB 1 44 TYR CZ 6.500 . 6.500 4.258 3.732 5.116 . 0 0 "[ . 1 . 2]" 1
89 1 5 PRO HB2 1 6 ASN H 4.400 . 4.400 2.826 1.917 3.590 . 0 0 "[ . 1 . 2]" 1
90 1 5 PRO HB2 1 6 ASN HD21 6.200 . 6.200 3.361 1.895 4.973 . 0 0 "[ . 1 . 2]" 1
91 1 5 PRO HB2 1 6 ASN HD22 6.200 . 6.200 3.857 3.058 4.783 . 0 0 "[ . 1 . 2]" 1
92 1 5 PRO HB2 1 44 TYR CG 6.200 . 6.200 5.294 4.937 5.782 . 0 0 "[ . 1 . 2]" 1
93 1 5 PRO HB2 1 44 TYR CZ 6.800 . 6.800 6.045 5.555 6.804 0.004 5 0 "[ . 1 . 2]" 1
94 1 5 PRO HB3 1 6 ASN H 4.400 . 4.400 3.900 3.457 4.316 . 0 0 "[ . 1 . 2]" 1
95 1 5 PRO HB3 1 6 ASN HD21 6.200 . 6.200 4.901 3.445 6.180 . 0 0 "[ . 1 . 2]" 1
96 1 5 PRO HB3 1 6 ASN HD22 6.200 . 6.200 5.309 4.635 6.202 0.002 20 0 "[ . 1 . 2]" 1
97 1 5 PRO HB3 1 44 TYR CG 6.200 . 6.200 4.056 3.514 4.614 . 0 0 "[ . 1 . 2]" 1
98 1 5 PRO HB3 1 44 TYR CZ 6.800 . 6.800 4.353 3.792 5.289 . 0 0 "[ . 1 . 2]" 1
99 1 5 PRO QD 1 6 ASN H 5.200 . 5.200 2.998 2.680 3.665 . 0 0 "[ . 1 . 2]" 1
100 1 5 PRO QD 1 6 ASN QD 7.400 . 7.400 4.108 2.989 5.248 . 0 0 "[ . 1 . 2]" 1
101 1 5 PRO QD 1 32 CYS HA 4.100 . 4.100 3.154 2.720 3.416 . 0 0 "[ . 1 . 2]" 1
102 1 5 PRO QD 1 44 TYR CG 5.700 . 5.700 4.466 3.963 4.836 . 0 0 "[ . 1 . 2]" 1
103 1 5 PRO QD 1 44 TYR CZ 6.400 . 6.400 4.260 3.589 4.916 . 0 0 "[ . 1 . 2]" 1
104 1 5 PRO HD2 1 44 TYR CG 6.200 . 6.200 5.911 5.492 6.209 0.009 10 0 "[ . 1 . 2]" 1
105 1 5 PRO HD2 1 44 TYR CZ 6.900 . 6.900 6.067 5.383 6.712 . 0 0 "[ . 1 . 2]" 1
106 1 5 PRO HD3 1 44 TYR CG 6.200 . 6.200 4.624 4.065 5.047 . 0 0 "[ . 1 . 2]" 1
107 1 5 PRO HD3 1 44 TYR CZ 6.900 . 6.900 4.354 3.644 5.056 . 0 0 "[ . 1 . 2]" 1
108 1 5 PRO QG 1 6 ASN QD 7.000 . 7.000 2.714 2.136 3.675 . 0 0 "[ . 1 . 2]" 1
109 1 5 PRO QG 1 44 TYR CG 7.000 . 7.000 5.373 5.016 5.680 . 0 0 "[ . 1 . 2]" 1
110 1 5 PRO QG 1 44 TYR CZ 8.900 . 8.900 5.221 4.596 5.760 . 0 0 "[ . 1 . 2]" 1
111 1 6 ASN H 1 6 ASN HA 2.900 . 2.900 2.892 2.801 2.929 0.029 14 0 "[ . 1 . 2]" 1
112 1 6 ASN H 1 7 THR H 4.500 . 4.500 4.381 4.285 4.482 . 0 0 "[ . 1 . 2]" 1
113 1 6 ASN H 1 9 GLY H 3.700 . 3.700 3.337 2.831 3.736 0.036 2 0 "[ . 1 . 2]" 1
114 1 6 ASN H 1 9 GLY QA 4.900 . 4.900 3.803 3.333 4.393 . 0 0 "[ . 1 . 2]" 1
115 1 6 ASN H 1 46 LYS QB 4.400 . 4.400 3.194 2.800 3.728 . 0 0 "[ . 1 . 2]" 1
116 1 6 ASN HA 1 7 THR H 2.800 . 2.800 2.407 2.194 2.645 . 0 0 "[ . 1 . 2]" 1
117 1 6 ASN HA 1 9 GLY H 6.500 . 6.500 4.760 4.655 4.943 . 0 0 "[ . 1 . 2]" 1
118 1 6 ASN QB 1 7 THR H 3.600 . 3.600 2.450 1.941 2.951 . 0 0 "[ . 1 . 2]" 1
119 1 6 ASN QD 1 7 THR H 7.400 . 7.400 4.369 3.537 5.136 . 0 0 "[ . 1 . 2]" 1
120 1 6 ASN QD 1 8 THR HA 5.800 . 5.800 4.747 3.720 5.618 . 0 0 "[ . 1 . 2]" 1
121 1 6 ASN QD 1 8 THR HG1 8.400 . 8.400 3.263 2.392 4.106 . 0 0 "[ . 1 . 2]" 1
122 1 6 ASN HD21 1 8 THR HA 6.500 . 6.500 5.525 3.860 6.502 0.002 5 0 "[ . 1 . 2]" 1
123 1 6 ASN HD22 1 8 THR HA 6.500 . 6.500 5.424 4.868 6.208 . 0 0 "[ . 1 . 2]" 1
124 1 6 ASN O 1 9 GLY H 2.000 . 2.000 2.014 1.981 2.024 0.024 15 0 "[ . 1 . 2]" 1
125 1 6 ASN O 1 9 GLY N 3.000 . 3.000 2.791 2.683 2.922 . 0 0 "[ . 1 . 2]" 1
126 1 7 THR H 1 7 THR HA 2.800 . 2.800 2.749 2.707 2.775 . 0 0 "[ . 1 . 2]" 1
127 1 7 THR H 1 7 THR HB 3.000 . 3.000 2.692 2.129 2.998 . 0 0 "[ . 1 . 2]" 1
128 1 7 THR H 1 7 THR HG1 4.100 . 4.100 2.713 2.200 2.982 . 0 0 "[ . 1 . 2]" 1
129 1 7 THR H 1 8 THR H 2.900 . 2.900 2.782 2.714 2.854 . 0 0 "[ . 1 . 2]" 1
130 1 7 THR H 1 46 LYS QB 4.200 . 4.200 3.448 2.822 4.220 0.020 9 0 "[ . 1 . 2]" 1
131 1 7 THR H 1 46 LYS QD 7.500 . 7.500 3.665 2.023 5.564 . 0 0 "[ . 1 . 2]" 1
132 1 7 THR H 1 46 LYS HE2 6.500 . 6.500 4.663 1.996 6.498 . 0 0 "[ . 1 . 2]" 1
133 1 7 THR H 1 46 LYS QE 6.200 . 6.200 3.742 1.940 5.484 . 0 0 "[ . 1 . 2]" 1
134 1 7 THR H 1 46 LYS HE3 6.500 . 6.500 4.079 2.001 6.117 . 0 0 "[ . 1 . 2]" 1
135 1 7 THR H 1 46 LYS QG 7.500 . 7.500 2.911 1.940 4.273 . 0 0 "[ . 1 . 2]" 1
136 1 7 THR HA 1 8 THR H 3.400 . 3.400 3.443 3.430 3.462 0.062 14 0 "[ . 1 . 2]" 1
137 1 7 THR HA 1 10 ARG H 3.400 . 3.400 3.299 3.139 3.410 0.010 11 0 "[ . 1 . 2]" 1
138 1 7 THR HA 1 10 ARG QB 3.800 . 3.800 2.803 2.529 3.004 . 0 0 "[ . 1 . 2]" 1
139 1 7 THR HA 1 10 ARG QG 4.700 . 4.700 4.262 3.261 4.687 . 0 0 "[ . 1 . 2]" 1
140 1 7 THR HB 1 8 THR H 3.600 . 3.600 3.057 2.926 3.645 0.045 7 0 "[ . 1 . 2]" 1
141 1 7 THR HG1 1 10 ARG QB 7.700 . 7.700 2.943 2.439 3.392 . 0 0 "[ . 1 . 2]" 1
142 1 7 THR HG1 1 11 ASN QD 4.800 . 4.800 4.010 3.490 4.769 . 0 0 "[ . 1 . 2]" 1
143 1 8 THR H 1 8 THR HA 2.800 . 2.800 2.800 2.769 2.824 0.024 11 0 "[ . 1 . 2]" 1
144 1 8 THR H 1 8 THR HB 3.300 . 3.300 2.628 2.451 2.990 . 0 0 "[ . 1 . 2]" 1
145 1 8 THR H 1 9 GLY H 2.800 . 2.800 2.682 2.579 2.813 0.013 7 0 "[ . 1 . 2]" 1
146 1 8 THR H 1 10 ARG H 4.100 . 4.100 4.141 4.122 4.155 0.055 18 0 "[ . 1 . 2]" 1
147 1 8 THR HA 1 9 GLY H 3.500 . 3.500 3.531 3.513 3.547 0.047 16 0 "[ . 1 . 2]" 1
148 1 8 THR HA 1 10 ARG H 4.800 . 4.800 4.281 4.126 4.458 . 0 0 "[ . 1 . 2]" 1
149 1 8 THR HA 1 11 ASN QD 4.600 . 4.600 3.697 2.874 4.175 . 0 0 "[ . 1 . 2]" 1
150 1 8 THR HA 1 12 ILE H 4.900 . 4.900 4.811 4.088 4.870 . 0 0 "[ . 1 . 2]" 1
151 1 8 THR HB 1 9 GLY H 4.900 . 4.900 2.567 2.333 2.671 . 0 0 "[ . 1 . 2]" 1
152 1 8 THR HG1 1 9 GLY H 4.400 . 4.400 3.454 3.250 3.694 . 0 0 "[ . 1 . 2]" 1
153 1 8 THR HG1 1 10 ARG H 6.700 . 6.700 4.884 4.787 5.138 . 0 0 "[ . 1 . 2]" 1
154 1 8 THR HG1 1 11 ASN QD 5.500 . 5.500 4.319 2.290 4.865 . 0 0 "[ . 1 . 2]" 1
155 1 8 THR O 1 11 ASN H 2.000 . 2.000 2.016 2.004 2.053 0.053 7 0 "[ . 1 . 2]" 1
156 1 8 THR O 1 11 ASN N 3.000 . 3.000 2.797 2.760 2.811 . 0 0 "[ . 1 . 2]" 1
157 1 9 GLY H 1 9 GLY HA2 2.800 . 2.800 2.789 2.737 2.804 0.004 5 0 "[ . 1 . 2]" 1
158 1 9 GLY H 1 9 GLY HA3 2.800 . 2.800 2.291 2.248 2.303 . 0 0 "[ . 1 . 2]" 1
159 1 9 GLY H 1 10 ARG H 2.800 . 2.800 2.717 2.654 2.777 . 0 0 "[ . 1 . 2]" 1
160 1 9 GLY QA 1 11 ASN H 4.000 . 4.000 3.526 3.480 3.619 . 0 0 "[ . 1 . 2]" 1
161 1 9 GLY QA 1 12 ILE H 4.600 . 4.600 3.197 3.123 3.580 . 0 0 "[ . 1 . 2]" 1
162 1 9 GLY QA 1 12 ILE HB 3.900 . 3.900 3.183 2.945 3.269 . 0 0 "[ . 1 . 2]" 1
163 1 9 GLY QA 1 13 TYR H 5.800 . 5.800 3.865 3.614 4.009 . 0 0 "[ . 1 . 2]" 1
164 1 9 GLY HA2 1 11 ASN H 4.200 . 4.200 3.778 3.738 3.921 . 0 0 "[ . 1 . 2]" 1
165 1 9 GLY HA2 1 12 ILE HB 4.600 . 4.600 3.253 2.983 3.348 . 0 0 "[ . 1 . 2]" 1
166 1 9 GLY HA3 1 11 ASN H 4.200 . 4.200 4.225 4.148 4.251 0.051 18 0 "[ . 1 . 2]" 1
167 1 9 GLY HA3 1 12 ILE HB 4.600 . 4.600 4.531 4.517 4.569 . 0 0 "[ . 1 . 2]" 1
168 1 9 GLY O 1 13 TYR H 2.000 . 2.000 1.936 1.795 2.024 0.024 19 0 "[ . 1 . 2]" 1
169 1 9 GLY O 1 13 TYR N 3.000 . 3.000 2.910 2.760 3.003 0.003 17 0 "[ . 1 . 2]" 1
170 1 10 ARG H 1 10 ARG HB2 3.500 . 3.500 2.351 2.077 2.589 . 0 0 "[ . 1 . 2]" 1
171 1 10 ARG H 1 10 ARG QB 3.000 . 3.000 2.184 2.053 2.258 . 0 0 "[ . 1 . 2]" 1
172 1 10 ARG H 1 10 ARG HB3 3.500 . 3.500 2.849 2.480 3.498 . 0 0 "[ . 1 . 2]" 1
173 1 10 ARG H 1 10 ARG HD2 6.500 . 6.500 5.356 4.400 5.805 . 0 0 "[ . 1 . 2]" 1
174 1 10 ARG H 1 10 ARG HD3 6.500 . 6.500 5.109 4.317 5.853 . 0 0 "[ . 1 . 2]" 1
175 1 10 ARG H 1 10 ARG QG 4.400 . 4.400 3.712 2.825 4.025 . 0 0 "[ . 1 . 2]" 1
176 1 10 ARG H 1 11 ASN H 2.800 . 2.800 2.542 2.511 2.579 . 0 0 "[ . 1 . 2]" 1
177 1 10 ARG H 1 46 LYS QB 6.400 . 6.400 5.203 4.643 5.918 . 0 0 "[ . 1 . 2]" 1
178 1 10 ARG HA 1 10 ARG HD2 4.400 . 4.400 3.662 2.117 4.238 . 0 0 "[ . 1 . 2]" 1
179 1 10 ARG HA 1 10 ARG QD 3.700 . 3.700 2.823 1.978 3.837 0.137 11 0 "[ . 1 . 2]" 1
180 1 10 ARG HA 1 10 ARG HD3 4.400 . 4.400 3.223 1.987 4.395 . 0 0 "[ . 1 . 2]" 1
181 1 10 ARG HA 1 10 ARG HE 4.500 . 4.500 3.558 1.908 4.523 0.023 17 0 "[ . 1 . 2]" 1
182 1 10 ARG HA 1 13 TYR CG 8.900 . 8.900 4.203 4.008 4.376 . 0 0 "[ . 1 . 2]" 1
183 1 10 ARG HA 1 13 TYR H 3.600 . 3.600 3.381 3.156 3.607 0.007 7 0 "[ . 1 . 2]" 1
184 1 10 ARG HA 1 13 TYR QB 4.100 . 4.100 2.372 2.193 2.485 . 0 0 "[ . 1 . 2]" 1
185 1 10 ARG HA 1 14 ASN H 4.300 . 4.300 3.905 3.820 3.984 . 0 0 "[ . 1 . 2]" 1
186 1 10 ARG QB 1 10 ARG QD 3.400 . 3.400 2.439 2.037 2.725 . 0 0 "[ . 1 . 2]" 1
187 1 10 ARG QB 1 10 ARG HE 3.300 . 3.300 2.418 1.999 3.243 . 0 0 "[ . 1 . 2]" 1
188 1 10 ARG QB 1 11 ASN H 3.700 . 3.700 2.896 2.826 3.004 . 0 0 "[ . 1 . 2]" 1
189 1 10 ARG QB 1 14 ASN QD 6.900 . 6.900 3.653 2.770 4.128 . 0 0 "[ . 1 . 2]" 1
190 1 10 ARG HB2 1 10 ARG HE 4.000 . 4.000 2.679 2.029 4.011 0.011 8 0 "[ . 1 . 2]" 1
191 1 10 ARG HB2 1 14 ASN HD21 8.200 . 8.200 4.946 4.540 5.332 . 0 0 "[ . 1 . 2]" 1
192 1 10 ARG HB2 1 14 ASN HD22 8.200 . 8.200 6.049 5.564 6.577 . 0 0 "[ . 1 . 2]" 1
193 1 10 ARG HB3 1 10 ARG HE 4.000 . 4.000 3.386 2.087 4.006 0.006 1 0 "[ . 1 . 2]" 1
194 1 10 ARG HB3 1 14 ASN HD21 8.200 . 8.200 3.982 2.885 4.776 . 0 0 "[ . 1 . 2]" 1
195 1 10 ARG HB3 1 14 ASN HD22 8.200 . 8.200 5.156 3.807 5.889 . 0 0 "[ . 1 . 2]" 1
196 1 10 ARG QD 1 13 TYR H 7.400 . 7.400 5.474 4.568 6.536 . 0 0 "[ . 1 . 2]" 1
197 1 10 ARG QD 1 14 ASN H 5.900 . 5.900 4.772 3.959 5.722 . 0 0 "[ . 1 . 2]" 1
198 1 10 ARG QD 1 14 ASN QD 3.900 . 3.900 2.824 2.454 3.360 . 0 0 "[ . 1 . 2]" 1
199 1 10 ARG HD2 1 13 TYR CG 8.900 . 8.900 6.116 4.692 7.847 . 0 0 "[ . 1 . 2]" 1
200 1 10 ARG HD2 1 14 ASN H 6.500 . 6.500 5.580 4.462 6.470 . 0 0 "[ . 1 . 2]" 1
201 1 10 ARG HD2 1 14 ASN HD21 5.300 . 5.300 3.472 2.597 4.700 . 0 0 "[ . 1 . 2]" 1
202 1 10 ARG HD2 1 14 ASN HD22 5.300 . 5.300 3.782 3.143 5.233 . 0 0 "[ . 1 . 2]" 1
203 1 10 ARG HD3 1 13 TYR CG 8.900 . 8.900 5.505 4.261 7.142 . 0 0 "[ . 1 . 2]" 1
204 1 10 ARG HD3 1 14 ASN H 6.500 . 6.500 5.483 4.109 6.464 . 0 0 "[ . 1 . 2]" 1
205 1 10 ARG HD3 1 14 ASN HD21 5.300 . 5.300 3.841 2.780 4.829 . 0 0 "[ . 1 . 2]" 1
206 1 10 ARG HD3 1 14 ASN HD22 5.300 . 5.300 4.308 3.196 5.245 . 0 0 "[ . 1 . 2]" 1
207 1 10 ARG HE 1 14 ASN QD 7.400 . 7.400 4.645 3.547 5.860 . 0 0 "[ . 1 . 2]" 1
208 1 10 ARG HE 1 46 LYS HA 6.500 . 6.500 5.887 4.615 6.503 0.003 16 0 "[ . 1 . 2]" 1
209 1 10 ARG HE 1 46 LYS QB 7.200 . 7.200 6.236 4.779 7.143 . 0 0 "[ . 1 . 2]" 1
210 1 10 ARG QG 1 11 ASN H 4.800 . 4.800 4.174 3.864 4.579 . 0 0 "[ . 1 . 2]" 1
211 1 10 ARG QG 1 14 ASN H 7.500 . 7.500 4.426 3.670 5.827 . 0 0 "[ . 1 . 2]" 1
212 1 10 ARG QG 1 14 ASN HD21 5.900 . 5.900 2.909 1.981 4.558 . 0 0 "[ . 1 . 2]" 1
213 1 10 ARG QG 1 14 ASN QD 5.500 . 5.500 2.800 1.953 4.283 . 0 0 "[ . 1 . 2]" 1
214 1 10 ARG QG 1 14 ASN HD22 5.900 . 5.900 3.808 2.971 5.247 . 0 0 "[ . 1 . 2]" 1
215 1 10 ARG O 1 14 ASN H 2.000 . 2.000 2.025 1.941 2.055 0.055 7 0 "[ . 1 . 2]" 1
216 1 10 ARG O 1 14 ASN QD 2.900 . 2.900 2.408 2.026 2.692 . 0 0 "[ . 1 . 2]" 1
217 1 10 ARG O 1 14 ASN N 3.000 . 3.000 2.871 2.814 2.923 . 0 0 "[ . 1 . 2]" 1
218 1 11 ASN H 1 11 ASN HA 2.800 . 2.800 2.834 2.823 2.842 0.042 7 0 "[ . 1 . 2]" 1
219 1 11 ASN H 1 11 ASN HB2 3.200 . 3.200 2.213 2.121 3.019 . 0 0 "[ . 1 . 2]" 1
220 1 11 ASN H 1 11 ASN HB3 3.200 . 3.200 2.960 2.110 3.115 . 0 0 "[ . 1 . 2]" 1
221 1 11 ASN H 1 11 ASN HD21 5.300 . 5.300 3.840 3.731 4.079 . 0 0 "[ . 1 . 2]" 1
222 1 11 ASN H 1 11 ASN QD 4.700 . 4.700 3.752 3.647 3.958 . 0 0 "[ . 1 . 2]" 1
223 1 11 ASN H 1 11 ASN HD22 5.300 . 5.300 5.270 5.147 5.342 0.042 7 0 "[ . 1 . 2]" 1
224 1 11 ASN HA 1 14 ASN H 3.500 . 3.500 3.510 3.437 3.539 0.039 16 0 "[ . 1 . 2]" 1
225 1 11 ASN HA 1 14 ASN HD21 6.500 . 6.500 3.818 3.323 4.464 . 0 0 "[ . 1 . 2]" 1
226 1 11 ASN HA 1 14 ASN QD 5.800 . 5.800 3.735 3.280 4.319 . 0 0 "[ . 1 . 2]" 1
227 1 11 ASN HA 1 14 ASN HD22 6.500 . 6.500 5.304 5.047 5.753 . 0 0 "[ . 1 . 2]" 1
228 1 11 ASN HA 1 15 THR H 4.300 . 4.300 4.053 3.860 4.148 . 0 0 "[ . 1 . 2]" 1
229 1 11 ASN HB2 1 12 ILE H 3.300 . 3.300 3.312 3.295 3.550 0.250 7 0 "[ . 1 . 2]" 1
230 1 11 ASN HB3 1 12 ILE H 3.300 . 3.300 2.449 2.307 2.778 . 0 0 "[ . 1 . 2]" 1
231 1 11 ASN O 1 15 THR H 2.000 . 2.000 1.829 1.783 1.939 0.017 7 0 "[ . 1 . 2]" 1
232 1 11 ASN O 1 15 THR N 3.000 . 3.000 2.788 2.706 2.901 . 0 0 "[ . 1 . 2]" 1
233 1 12 ILE H 1 12 ILE HA 2.800 . 2.800 2.807 2.735 2.828 0.028 16 0 "[ . 1 . 2]" 1
234 1 12 ILE H 1 12 ILE HB 3.300 . 3.300 2.570 2.517 2.651 . 0 0 "[ . 1 . 2]" 1
235 1 12 ILE H 1 12 ILE QG 4.300 . 4.300 1.995 1.964 2.253 . 0 0 "[ . 1 . 2]" 1
236 1 12 ILE H 1 13 TYR H 2.800 . 2.800 2.680 2.602 2.866 0.066 7 0 "[ . 1 . 2]" 1
237 1 12 ILE H 1 14 ASN QD 6.700 . 6.700 5.963 5.666 6.095 . 0 0 "[ . 1 . 2]" 1
238 1 12 ILE HA 1 15 THR H 3.300 . 3.300 3.322 3.306 3.335 0.035 2 0 "[ . 1 . 2]" 1
239 1 12 ILE HA 1 16 CYS H 4.100 . 4.100 4.081 3.894 4.116 0.016 11 0 "[ . 1 . 2]" 1
240 1 12 ILE HB 1 13 TYR H 3.600 . 3.600 2.394 2.319 2.435 . 0 0 "[ . 1 . 2]" 1
241 1 12 ILE HB 1 14 ASN H 4.800 . 4.800 4.793 4.760 4.825 0.025 17 0 "[ . 1 . 2]" 1
242 1 12 ILE HB 1 30 SER HA 3.300 . 3.300 2.821 2.321 3.265 . 0 0 "[ . 1 . 2]" 1
243 1 12 ILE HB 1 30 SER HB2 3.800 . 3.800 3.628 2.881 3.826 0.026 8 0 "[ . 1 . 2]" 1
244 1 12 ILE HB 1 30 SER QB 3.200 . 3.200 2.363 1.919 2.650 . 0 0 "[ . 1 . 2]" 1
245 1 12 ILE HB 1 30 SER HB3 3.800 . 3.800 2.398 1.946 2.705 . 0 0 "[ . 1 . 2]" 1
246 1 12 ILE MD 1 30 SER QB 4.300 . 4.300 2.709 2.347 3.082 . 0 0 "[ . 1 . 2]" 1
247 1 12 ILE QG 1 13 TYR H 6.800 . 6.800 3.246 3.189 3.325 . 0 0 "[ . 1 . 2]" 1
248 1 12 ILE O 1 16 CYS H 2.000 . 2.000 1.978 1.833 2.017 0.017 11 0 "[ . 1 . 2]" 1
249 1 12 ILE O 1 16 CYS N 3.000 . 3.000 2.853 2.716 2.924 . 0 0 "[ . 1 . 2]" 1
250 1 13 TYR CG 1 14 ASN H 7.100 . 7.100 4.466 4.287 4.534 . 0 0 "[ . 1 . 2]" 1
251 1 13 TYR CG 1 14 ASN HA 6.800 . 6.800 5.414 5.166 5.505 . 0 0 "[ . 1 . 2]" 1
252 1 13 TYR CG 1 15 THR H 8.900 . 8.900 6.585 6.451 6.684 . 0 0 "[ . 1 . 2]" 1
253 1 13 TYR CG 1 17 ARG H 8.900 . 8.900 5.314 5.171 5.439 . 0 0 "[ . 1 . 2]" 1
254 1 13 TYR CG 1 17 ARG HB2 8.900 . 8.900 5.281 5.038 5.673 . 0 0 "[ . 1 . 2]" 1
255 1 13 TYR CG 1 17 ARG QB 8.800 . 8.800 5.112 4.885 5.478 . 0 0 "[ . 1 . 2]" 1
256 1 13 TYR CG 1 17 ARG HB3 8.900 . 8.900 6.815 6.573 7.229 . 0 0 "[ . 1 . 2]" 1
257 1 13 TYR CG 1 17 ARG QG 5.700 . 5.700 4.442 4.305 4.787 . 0 0 "[ . 1 . 2]" 1
258 1 13 TYR CG 1 23 ARG HA 6.800 . 6.800 5.904 5.698 6.565 . 0 0 "[ . 1 . 2]" 1
259 1 13 TYR CG 1 26 CYS H 8.900 . 8.900 6.407 6.273 6.710 . 0 0 "[ . 1 . 2]" 1
260 1 13 TYR CG 1 26 CYS HA 8.900 . 8.900 5.054 4.966 5.259 . 0 0 "[ . 1 . 2]" 1
261 1 13 TYR CG 1 26 CYS HB2 6.500 . 6.500 4.689 4.510 5.069 . 0 0 "[ . 1 . 2]" 1
262 1 13 TYR CG 1 26 CYS QB 6.300 . 6.300 3.104 2.916 3.523 . 0 0 "[ . 1 . 2]" 1
263 1 13 TYR CG 1 26 CYS HB3 6.500 . 6.500 3.151 2.952 3.594 . 0 0 "[ . 1 . 2]" 1
264 1 13 TYR CG 1 27 ALA H 6.800 . 6.800 5.707 5.441 6.055 . 0 0 "[ . 1 . 2]" 1
265 1 13 TYR CG 1 27 ALA HA 5.900 . 5.900 5.077 4.661 5.394 . 0 0 "[ . 1 . 2]" 1
266 1 13 TYR CG 1 27 ALA MB 7.200 . 7.200 5.787 5.506 6.028 . 0 0 "[ . 1 . 2]" 1
267 1 13 TYR CG 1 30 SER HA 6.800 . 6.800 6.456 6.195 6.763 . 0 0 "[ . 1 . 2]" 1
268 1 13 TYR CG 1 32 CYS H 7.700 . 7.700 5.851 5.429 6.385 . 0 0 "[ . 1 . 2]" 1
269 1 13 TYR CG 1 32 CYS QB 8.100 . 8.100 4.536 4.042 5.146 . 0 0 "[ . 1 . 2]" 1
270 1 13 TYR CG 1 34 ILE MD 7.000 . 7.000 5.334 4.919 5.859 . 0 0 "[ . 1 . 2]" 1
271 1 13 TYR H 1 13 TYR HA 2.800 . 2.800 2.784 2.767 2.807 0.007 7 0 "[ . 1 . 2]" 1
272 1 13 TYR H 1 13 TYR HB2 3.100 . 3.100 2.085 2.063 2.144 . 0 0 "[ . 1 . 2]" 1
273 1 13 TYR H 1 13 TYR HB3 3.100 . 3.100 3.097 2.991 3.127 0.027 8 0 "[ . 1 . 2]" 1
274 1 13 TYR H 1 14 ASN H 2.800 . 2.800 2.687 2.631 2.737 . 0 0 "[ . 1 . 2]" 1
275 1 13 TYR H 1 26 CYS QB 6.800 . 6.800 5.674 5.472 6.192 . 0 0 "[ . 1 . 2]" 1
276 1 13 TYR H 1 30 SER QB 4.700 . 4.700 2.924 1.981 3.420 . 0 0 "[ . 1 . 2]" 1
277 1 13 TYR QB 1 14 ASN H 2.900 . 2.900 2.613 2.436 2.689 . 0 0 "[ . 1 . 2]" 1
278 1 13 TYR QB 1 17 ARG H 5.400 . 5.400 4.781 4.744 4.854 . 0 0 "[ . 1 . 2]" 1
279 1 13 TYR QB 1 31 GLY H 7.400 . 7.400 6.567 5.809 6.951 . 0 0 "[ . 1 . 2]" 1
280 1 13 TYR HB2 1 14 ASN H 3.300 . 3.300 3.339 3.325 3.379 0.079 17 0 "[ . 1 . 2]" 1
281 1 13 TYR HB3 1 14 ASN H 3.300 . 3.300 2.731 2.498 2.838 . 0 0 "[ . 1 . 2]" 1
282 1 13 TYR O 1 17 ARG H 2.000 . 2.000 1.811 1.786 1.893 0.014 20 0 "[ . 1 . 2]" 1
283 1 13 TYR O 1 17 ARG N 3.000 . 3.000 2.780 2.755 2.873 . 0 0 "[ . 1 . 2]" 1
284 1 14 ASN H 1 14 ASN HA 2.800 . 2.800 2.838 2.826 2.850 0.050 16 0 "[ . 1 . 2]" 1
285 1 14 ASN H 1 14 ASN HB2 3.300 . 3.300 2.083 2.073 2.096 . 0 0 "[ . 1 . 2]" 1
286 1 14 ASN H 1 14 ASN HB3 3.300 . 3.300 3.311 3.297 3.344 0.044 14 0 "[ . 1 . 2]" 1
287 1 14 ASN H 1 14 ASN QD 5.700 . 5.700 3.216 3.023 3.624 . 0 0 "[ . 1 . 2]" 1
288 1 14 ASN H 1 14 ASN HD22 6.500 . 6.500 4.723 4.548 4.890 . 0 0 "[ . 1 . 2]" 1
289 1 14 ASN H 1 15 THR H 2.800 . 2.800 2.667 2.583 2.739 . 0 0 "[ . 1 . 2]" 1
290 1 14 ASN H 1 15 THR HB 5.400 . 5.400 5.336 4.764 5.408 0.008 5 0 "[ . 1 . 2]" 1
291 1 14 ASN H 1 16 CYS H 4.300 . 4.300 3.897 3.826 3.966 . 0 0 "[ . 1 . 2]" 1
292 1 14 ASN H 1 17 ARG H 4.700 . 4.700 4.649 4.561 4.701 0.001 16 0 "[ . 1 . 2]" 1
293 1 14 ASN H 1 29 LEU QD 8.200 . 8.200 6.232 5.887 6.855 . 0 0 "[ . 1 . 2]" 1
294 1 14 ASN HA 1 14 ASN HB2 3.000 . 3.000 2.883 2.872 2.907 . 0 0 "[ . 1 . 2]" 1
295 1 14 ASN HA 1 14 ASN HB3 3.000 . 3.000 2.820 2.787 2.838 . 0 0 "[ . 1 . 2]" 1
296 1 14 ASN HA 1 14 ASN QD 3.700 . 3.700 3.285 2.992 3.705 0.005 11 0 "[ . 1 . 2]" 1
297 1 14 ASN HA 1 17 ARG H 3.400 . 3.400 3.451 3.437 3.472 0.072 1 0 "[ . 1 . 2]" 1
298 1 14 ASN QB 1 15 THR H 2.800 . 2.800 2.599 2.530 2.698 . 0 0 "[ . 1 . 2]" 1
299 1 14 ASN HB2 1 14 ASN HD22 4.000 . 4.000 3.452 3.440 3.495 . 0 0 "[ . 1 . 2]" 1
300 1 14 ASN HB2 1 15 THR H 3.100 . 3.100 3.005 2.932 3.071 . 0 0 "[ . 1 . 2]" 1
301 1 14 ASN HB3 1 14 ASN HD22 4.000 . 4.000 4.007 3.870 4.052 0.052 16 0 "[ . 1 . 2]" 1
302 1 14 ASN HB3 1 15 THR H 3.100 . 3.100 2.847 2.743 2.989 . 0 0 "[ . 1 . 2]" 1
303 1 14 ASN QD 1 18 PHE H 7.400 . 7.400 6.103 5.630 6.398 . 0 0 "[ . 1 . 2]" 1
304 1 14 ASN O 1 18 PHE H 2.000 . 2.000 1.821 1.783 1.902 0.017 3 0 "[ . 1 . 2]" 1
305 1 14 ASN O 1 18 PHE N 3.000 . 3.000 2.759 2.678 2.865 . 0 0 "[ . 1 . 2]" 1
306 1 15 THR H 1 15 THR HA 2.900 . 2.900 2.787 2.777 2.801 . 0 0 "[ . 1 . 2]" 1
307 1 15 THR H 1 15 THR HB 3.200 . 3.200 3.015 2.545 3.091 . 0 0 "[ . 1 . 2]" 1
308 1 15 THR H 1 16 CYS H 2.800 . 2.800 2.667 2.625 2.691 . 0 0 "[ . 1 . 2]" 1
309 1 15 THR H 1 18 PHE QB 5.800 . 5.800 4.934 4.782 5.046 . 0 0 "[ . 1 . 2]" 1
310 1 15 THR HA 1 15 THR HB 2.900 . 2.900 2.952 2.929 3.011 0.111 16 0 "[ . 1 . 2]" 1
311 1 15 THR HA 1 15 THR HG1 3.400 . 3.400 2.060 2.006 2.315 . 0 0 "[ . 1 . 2]" 1
312 1 15 THR HA 1 16 CYS H 3.600 . 3.600 3.482 3.472 3.493 . 0 0 "[ . 1 . 2]" 1
313 1 15 THR HB 1 16 CYS H 2.900 . 2.900 2.877 2.740 2.908 0.008 4 0 "[ . 1 . 2]" 1
314 1 15 THR HG1 1 16 CYS H 4.200 . 4.200 3.622 3.348 3.794 . 0 0 "[ . 1 . 2]" 1
315 1 16 CYS CB 1 26 CYS SG 3.100 . 3.100 3.021 3.003 3.031 . 0 0 "[ . 1 . 2]" 1
316 1 16 CYS H 1 16 CYS HA 2.800 . 2.800 2.854 2.835 2.868 0.068 16 0 "[ . 1 . 2]" 1
317 1 16 CYS H 1 16 CYS HB2 3.900 . 3.900 3.064 2.983 3.129 . 0 0 "[ . 1 . 2]" 1
318 1 16 CYS H 1 16 CYS QB 3.500 . 3.500 2.034 2.012 2.061 . 0 0 "[ . 1 . 2]" 1
319 1 16 CYS H 1 16 CYS HB3 3.900 . 3.900 2.064 2.038 2.097 . 0 0 "[ . 1 . 2]" 1
320 1 16 CYS H 1 17 ARG H 2.800 . 2.800 2.649 2.612 2.720 . 0 0 "[ . 1 . 2]" 1
321 1 16 CYS H 1 17 ARG QB 7.100 . 7.100 4.157 4.104 4.213 . 0 0 "[ . 1 . 2]" 1
322 1 16 CYS H 1 26 CYS QB 6.200 . 6.200 5.714 5.556 5.962 . 0 0 "[ . 1 . 2]" 1
323 1 16 CYS H 1 29 LEU QD . . 5.800 4.040 3.452 5.114 . 0 0 "[ . 1 . 2]" 1
324 1 16 CYS HA 1 19 GLY H 3.300 . 3.300 3.313 3.288 3.331 0.031 16 0 "[ . 1 . 2]" 1
325 1 16 CYS HA 1 21 GLY H 4.300 . 4.300 4.259 4.234 4.278 . 0 0 "[ . 1 . 2]" 1
326 1 16 CYS QB 1 17 ARG H 3.600 . 3.600 2.614 2.564 2.663 . 0 0 "[ . 1 . 2]" 1
327 1 16 CYS QB 1 26 CYS QB 4.400 . 4.400 3.895 3.841 3.949 . 0 0 "[ . 1 . 2]" 1
328 1 16 CYS QB 1 29 LEU QD 4.300 . 4.300 2.288 1.849 3.324 . 0 0 "[ . 1 . 2]" 1
329 1 16 CYS HB2 1 17 ARG H 3.800 . 3.800 3.799 3.777 3.816 0.016 17 0 "[ . 1 . 2]" 1
330 1 16 CYS HB2 1 26 CYS HB2 5.500 . 5.500 5.256 5.000 5.361 . 0 0 "[ . 1 . 2]" 1
331 1 16 CYS HB2 1 26 CYS HB3 5.500 . 5.500 5.397 5.277 5.496 . 0 0 "[ . 1 . 2]" 1
332 1 16 CYS HB2 1 29 LEU QD 5.600 . 5.600 2.352 1.892 3.483 . 0 0 "[ . 1 . 2]" 1
333 1 16 CYS HB3 1 17 ARG H 3.800 . 3.800 2.663 2.607 2.720 . 0 0 "[ . 1 . 2]" 1
334 1 16 CYS HB3 1 26 CYS HB2 5.500 . 5.500 4.783 4.713 4.827 . 0 0 "[ . 1 . 2]" 1
335 1 16 CYS HB3 1 26 CYS HB3 5.500 . 5.500 4.542 4.420 4.767 . 0 0 "[ . 1 . 2]" 1
336 1 16 CYS HB3 1 29 LEU QD 5.600 . 5.600 3.197 2.598 4.229 . 0 0 "[ . 1 . 2]" 1
337 1 16 CYS O 1 19 GLY H 2.000 . 2.000 2.023 2.014 2.039 0.039 3 0 "[ . 1 . 2]" 1
338 1 16 CYS O 1 19 GLY N 3.000 . 3.000 2.712 2.655 2.754 . 0 0 "[ . 1 . 2]" 1
339 1 16 CYS O 1 20 GLY H 2.000 . 2.000 1.902 1.776 2.005 0.024 19 0 "[ . 1 . 2]" 1
340 1 16 CYS O 1 20 GLY N 3.000 . 3.000 2.638 2.526 2.736 . 0 0 "[ . 1 . 2]" 1
341 1 16 CYS SG 1 26 CYS CB 3.100 . 3.100 3.019 3.005 3.036 . 0 0 "[ . 1 . 2]" 1
342 1 16 CYS SG 1 26 CYS SG 2.100 . 2.100 2.024 2.013 2.030 . 0 0 "[ . 1 . 2]" 1
343 1 17 ARG H 1 17 ARG HA 2.900 . 2.900 2.682 2.658 2.712 . 0 0 "[ . 1 . 2]" 1
344 1 17 ARG H 1 17 ARG HB2 3.400 . 3.400 2.064 2.028 2.091 . 0 0 "[ . 1 . 2]" 1
345 1 17 ARG H 1 17 ARG HB3 3.400 . 3.400 3.354 3.344 3.370 . 0 0 "[ . 1 . 2]" 1
346 1 17 ARG H 1 17 ARG HD2 5.700 . 5.700 5.141 4.816 5.498 . 0 0 "[ . 1 . 2]" 1
347 1 17 ARG H 1 17 ARG QD 5.300 . 5.300 4.620 4.404 4.744 . 0 0 "[ . 1 . 2]" 1
348 1 17 ARG H 1 17 ARG HD3 5.700 . 5.700 5.286 5.061 5.496 . 0 0 "[ . 1 . 2]" 1
349 1 17 ARG H 1 17 ARG HG2 3.600 . 3.600 3.333 3.151 3.505 . 0 0 "[ . 1 . 2]" 1
350 1 17 ARG H 1 17 ARG HG3 3.600 . 3.600 3.534 3.408 3.583 . 0 0 "[ . 1 . 2]" 1
351 1 17 ARG H 1 19 GLY H 4.500 . 4.500 3.731 3.708 3.808 . 0 0 "[ . 1 . 2]" 1
352 1 17 ARG H 1 26 CYS QB 6.000 . 6.000 4.567 4.330 4.800 . 0 0 "[ . 1 . 2]" 1
353 1 17 ARG HA 1 17 ARG HB2 2.800 . 2.800 2.874 2.862 2.890 0.090 20 0 "[ . 1 . 2]" 1
354 1 17 ARG HA 1 17 ARG HB3 2.800 . 2.800 2.777 2.762 2.783 . 0 0 "[ . 1 . 2]" 1
355 1 17 ARG HA 1 17 ARG HG2 4.200 . 4.200 2.087 2.034 2.151 . 0 0 "[ . 1 . 2]" 1
356 1 17 ARG HA 1 17 ARG QG 3.900 . 3.900 2.069 2.015 2.131 . 0 0 "[ . 1 . 2]" 1
357 1 17 ARG HA 1 17 ARG HG3 4.200 . 4.200 3.411 3.285 3.476 . 0 0 "[ . 1 . 2]" 1
358 1 17 ARG HA 1 17 ARG NE 5.200 . 5.200 4.039 3.125 4.738 . 0 0 "[ . 1 . 2]" 1
359 1 17 ARG HA 1 20 GLY H 3.600 . 3.600 3.588 3.535 3.625 0.025 2 0 "[ . 1 . 2]" 1
360 1 17 ARG HA 1 21 GLY H 2.800 . 2.800 2.820 2.773 2.854 0.054 17 0 "[ . 1 . 2]" 1
361 1 17 ARG HA 1 23 ARG QH2 7.400 . 7.400 3.118 2.841 4.005 . 0 0 "[ . 1 . 2]" 1
362 1 17 ARG HA 1 29 LEU QD 8.800 . 8.800 6.272 5.765 7.193 . 0 0 "[ . 1 . 2]" 1
363 1 17 ARG QB 1 17 ARG HE 3.400 . 3.400 2.542 2.013 3.251 . 0 0 "[ . 1 . 2]" 1
364 1 17 ARG HB2 1 17 ARG HE 3.900 . 3.900 3.435 2.871 3.852 . 0 0 "[ . 1 . 2]" 1
365 1 17 ARG HB2 1 17 ARG HG2 3.000 . 3.000 2.725 2.617 2.798 . 0 0 "[ . 1 . 2]" 1
366 1 17 ARG HB2 1 17 ARG HG3 3.000 . 3.000 2.183 2.152 2.223 . 0 0 "[ . 1 . 2]" 1
367 1 17 ARG HB2 1 18 PHE H 2.800 . 2.800 2.813 2.790 2.832 0.032 4 0 "[ . 1 . 2]" 1
368 1 17 ARG HB3 1 17 ARG HE 3.900 . 3.900 2.658 2.056 3.506 . 0 0 "[ . 1 . 2]" 1
369 1 17 ARG HB3 1 17 ARG HG2 3.000 . 3.000 2.902 2.828 2.942 . 0 0 "[ . 1 . 2]" 1
370 1 17 ARG HB3 1 17 ARG HG3 3.000 . 3.000 2.757 2.683 2.854 . 0 0 "[ . 1 . 2]" 1
371 1 17 ARG HB3 1 18 PHE H 2.800 . 2.800 2.736 2.723 2.771 . 0 0 "[ . 1 . 2]" 1
372 1 17 ARG QD 1 21 GLY H 7.400 . 7.400 5.435 4.900 6.093 . 0 0 "[ . 1 . 2]" 1
373 1 17 ARG QD 1 23 ARG H 6.700 . 6.700 6.164 5.614 6.654 . 0 0 "[ . 1 . 2]" 1
374 1 17 ARG QD 1 23 ARG QH2 3.700 . 3.700 2.417 1.907 2.906 . 0 0 "[ . 1 . 2]" 1
375 1 17 ARG HD2 1 17 ARG HE 3.000 . 3.000 2.773 2.699 2.866 . 0 0 "[ . 1 . 2]" 1
376 1 17 ARG HD2 1 23 ARG HH21 4.800 . 4.800 3.443 2.638 4.496 . 0 0 "[ . 1 . 2]" 1
377 1 17 ARG HD2 1 23 ARG HH22 4.800 . 4.800 3.116 2.612 3.673 . 0 0 "[ . 1 . 2]" 1
378 1 17 ARG HD3 1 17 ARG HE 3.000 . 3.000 2.812 2.712 2.875 . 0 0 "[ . 1 . 2]" 1
379 1 17 ARG HD3 1 23 ARG HH21 4.800 . 4.800 3.596 2.684 4.715 . 0 0 "[ . 1 . 2]" 1
380 1 17 ARG HD3 1 23 ARG HH22 4.800 . 4.800 3.367 1.944 4.802 0.002 16 0 "[ . 1 . 2]" 1
381 1 17 ARG HE 1 17 ARG HG2 3.600 . 3.600 3.163 2.491 3.601 0.001 2 0 "[ . 1 . 2]" 1
382 1 17 ARG HE 1 17 ARG QG 3.100 . 3.100 2.414 2.109 2.631 . 0 0 "[ . 1 . 2]" 1
383 1 17 ARG HE 1 17 ARG HG3 3.600 . 3.600 2.846 2.131 3.605 0.005 17 0 "[ . 1 . 2]" 1
384 1 17 ARG QG 1 18 PHE H 4.700 . 4.700 4.287 4.277 4.311 . 0 0 "[ . 1 . 2]" 1
385 1 17 ARG HG2 1 18 PHE H 5.200 . 5.200 4.757 4.744 4.783 . 0 0 "[ . 1 . 2]" 1
386 1 17 ARG HG3 1 18 PHE H 5.200 . 5.200 4.872 4.858 4.900 . 0 0 "[ . 1 . 2]" 1
387 1 18 PHE CD1 1 18 PHE H 4.600 . 4.600 2.763 2.746 2.777 . 0 0 "[ . 1 . 2]" 1
388 1 18 PHE CD1 1 18 PHE HA 3.500 . 3.500 3.292 3.159 3.418 . 0 0 "[ . 1 . 2]" 1
389 1 18 PHE CE1 1 18 PHE H 4.000 . 4.000 4.004 3.978 4.036 0.036 11 0 "[ . 1 . 2]" 1
390 1 18 PHE CE1 1 18 PHE HA 4.500 . 4.500 4.382 4.269 4.490 . 0 0 "[ . 1 . 2]" 1
391 1 18 PHE H 1 18 PHE HA 2.800 . 2.800 2.837 2.809 2.851 0.051 11 0 "[ . 1 . 2]" 1
392 1 18 PHE H 1 18 PHE QB 3.000 . 3.000 2.320 2.293 2.346 . 0 0 "[ . 1 . 2]" 1
393 1 18 PHE H 1 19 GLY HA2 4.900 . 4.900 4.999 4.984 5.022 0.122 5 0 "[ . 1 . 2]" 1
394 1 18 PHE H 1 19 GLY QA 4.700 . 4.700 4.295 4.274 4.318 . 0 0 "[ . 1 . 2]" 1
395 1 18 PHE H 1 19 GLY HA3 4.900 . 4.900 4.679 4.648 4.707 . 0 0 "[ . 1 . 2]" 1
396 1 18 PHE HA 1 18 PHE HZ 6.800 . 6.800 5.880 5.839 5.914 . 0 0 "[ . 1 . 2]" 1
397 1 19 GLY H 1 19 GLY HA2 2.900 . 2.900 2.892 2.868 2.918 0.018 8 0 "[ . 1 . 2]" 1
398 1 19 GLY H 1 19 GLY HA3 2.900 . 2.900 2.337 2.310 2.367 . 0 0 "[ . 1 . 2]" 1
399 1 19 GLY H 1 20 GLY H 2.800 . 2.800 2.293 2.188 2.389 . 0 0 "[ . 1 . 2]" 1
400 1 19 GLY H 1 21 GLY H 4.000 . 4.000 3.808 3.704 3.869 . 0 0 "[ . 1 . 2]" 1
401 1 19 GLY HA2 1 20 GLY H 3.500 . 3.500 3.440 3.406 3.460 . 0 0 "[ . 1 . 2]" 1
402 1 19 GLY HA3 1 20 GLY H 3.500 . 3.500 3.041 2.967 3.086 . 0 0 "[ . 1 . 2]" 1
403 1 20 GLY H 1 21 GLY H 2.800 . 2.800 2.103 1.963 2.166 . 0 0 "[ . 1 . 2]" 1
404 1 20 GLY H 1 25 VAL QG 9.100 . 9.100 6.240 5.807 6.945 . 0 0 "[ . 1 . 2]" 1
405 1 21 GLY H 1 21 GLY HA2 2.900 . 2.900 2.849 2.836 2.888 . 0 0 "[ . 1 . 2]" 1
406 1 21 GLY H 1 21 GLY HA3 2.900 . 2.900 2.399 2.288 2.513 . 0 0 "[ . 1 . 2]" 1
407 1 21 GLY H 1 22 SER H 4.100 . 4.100 4.052 3.782 4.130 0.030 15 0 "[ . 1 . 2]" 1
408 1 21 GLY H 1 25 VAL QG 8.500 . 8.500 5.005 4.654 5.592 . 0 0 "[ . 1 . 2]" 1
409 1 21 GLY QA 1 29 LEU QD 9.400 . 9.400 4.178 3.604 5.142 . 0 0 "[ . 1 . 2]" 1
410 1 21 GLY HA2 1 22 SER H 3.300 . 3.300 2.597 2.113 3.167 . 0 0 "[ . 1 . 2]" 1
411 1 21 GLY HA3 1 22 SER H 3.300 . 3.300 2.608 2.102 3.163 . 0 0 "[ . 1 . 2]" 1
412 1 22 SER H 1 22 SER HA 2.900 . 2.900 2.855 2.791 2.934 0.034 17 0 "[ . 1 . 2]" 1
413 1 22 SER H 1 22 SER HB2 3.500 . 3.500 2.754 2.154 3.515 0.015 15 0 "[ . 1 . 2]" 1
414 1 22 SER H 1 22 SER QB 3.000 . 3.000 2.464 2.104 2.965 . 0 0 "[ . 1 . 2]" 1
415 1 22 SER H 1 22 SER HB3 3.500 . 3.500 2.929 2.243 3.200 . 0 0 "[ . 1 . 2]" 1
416 1 22 SER H 1 23 ARG H 4.200 . 4.200 4.164 3.937 4.279 0.079 2 0 "[ . 1 . 2]" 1
417 1 22 SER H 1 23 ARG HE 5.000 . 5.000 4.864 4.609 5.099 0.099 4 0 "[ . 1 . 2]" 1
418 1 22 SER H 1 25 VAL HB 2.800 . 2.800 2.611 2.226 2.817 0.017 9 0 "[ . 1 . 2]" 1
419 1 22 SER H 1 25 VAL QG . . 4.100 2.948 2.635 3.508 . 0 0 "[ . 1 . 2]" 1
420 1 22 SER HA 1 23 ARG H 3.000 . 3.000 3.025 2.983 3.174 0.174 14 0 "[ . 1 . 2]" 1
421 1 22 SER HA 1 23 ARG HH21 4.400 . 4.400 2.457 1.932 3.759 . 0 0 "[ . 1 . 2]" 1
422 1 22 SER HA 1 23 ARG QH2 4.200 . 4.200 2.297 1.892 3.549 . 0 0 "[ . 1 . 2]" 1
423 1 22 SER HA 1 23 ARG HH22 4.400 . 4.400 2.824 2.345 4.356 . 0 0 "[ . 1 . 2]" 1
424 1 22 SER QB 1 23 ARG H 3.300 . 3.300 2.087 1.947 2.391 . 0 0 "[ . 1 . 2]" 1
425 1 22 SER QB 1 23 ARG HE 7.400 . 7.400 4.593 4.324 4.911 . 0 0 "[ . 1 . 2]" 1
426 1 22 SER QB 1 25 VAL HB 5.400 . 5.400 3.420 2.857 4.291 . 0 0 "[ . 1 . 2]" 1
427 1 22 SER QB 1 25 VAL QG 5.600 . 5.600 2.521 2.167 3.194 . 0 0 "[ . 1 . 2]" 1
428 1 22 SER QB 1 26 CYS H 7.400 . 7.400 4.000 3.570 4.967 . 0 0 "[ . 1 . 2]" 1
429 1 22 SER HB2 1 23 ARG H 3.600 . 3.600 3.331 2.160 3.421 . 0 0 "[ . 1 . 2]" 1
430 1 22 SER HB2 1 25 VAL QG 6.800 . 6.800 3.188 2.710 4.309 . 0 0 "[ . 1 . 2]" 1
431 1 22 SER HB3 1 23 ARG H 3.600 . 3.600 2.171 1.959 3.416 . 0 0 "[ . 1 . 2]" 1
432 1 22 SER HB3 1 25 VAL QG 6.800 . 6.800 2.663 2.233 3.292 . 0 0 "[ . 1 . 2]" 1
433 1 22 SER O 1 23 ARG HE 2.000 . 2.000 2.008 1.987 2.055 0.055 16 0 "[ . 1 . 2]" 1
434 1 23 ARG H 1 23 ARG HA 2.800 . 2.800 2.896 2.882 2.913 0.113 13 0 "[ . 1 . 2]" 1
435 1 23 ARG H 1 23 ARG HB2 3.600 . 3.600 2.423 2.324 2.454 . 0 0 "[ . 1 . 2]" 1
436 1 23 ARG H 1 23 ARG QB 3.300 . 3.300 2.385 2.286 2.417 . 0 0 "[ . 1 . 2]" 1
437 1 23 ARG H 1 23 ARG HB3 3.600 . 3.600 3.576 3.073 3.644 0.044 17 0 "[ . 1 . 2]" 1
438 1 23 ARG H 1 23 ARG HD2 5.100 . 5.100 4.624 3.438 5.119 0.019 16 0 "[ . 1 . 2]" 1
439 1 23 ARG H 1 23 ARG HD3 5.100 . 5.100 4.409 4.168 5.027 . 0 0 "[ . 1 . 2]" 1
440 1 23 ARG H 1 23 ARG HE 6.000 . 6.000 3.465 3.228 3.893 . 0 0 "[ . 1 . 2]" 1
441 1 23 ARG H 1 23 ARG QG 4.900 . 4.900 2.898 2.616 4.130 . 0 0 "[ . 1 . 2]" 1
442 1 23 ARG H 1 23 ARG QH2 6.600 . 6.600 4.004 3.334 4.779 . 0 0 "[ . 1 . 2]" 1
443 1 23 ARG H 1 24 GLN H 2.900 . 2.900 2.293 2.175 2.393 . 0 0 "[ . 1 . 2]" 1
444 1 23 ARG HA 1 23 ARG QD 4.100 . 4.100 2.274 2.066 3.252 . 0 0 "[ . 1 . 2]" 1
445 1 23 ARG HA 1 23 ARG QG 3.700 . 3.700 2.926 2.242 3.048 . 0 0 "[ . 1 . 2]" 1
446 1 23 ARG HA 1 24 GLN H 3.500 . 3.500 3.530 3.508 3.549 0.049 14 0 "[ . 1 . 2]" 1
447 1 23 ARG HA 1 25 VAL H 5.300 . 5.300 4.579 4.506 4.613 . 0 0 "[ . 1 . 2]" 1
448 1 23 ARG HA 1 26 CYS H 3.500 . 3.500 3.479 3.395 3.570 0.070 14 0 "[ . 1 . 2]" 1
449 1 23 ARG HA 1 27 ALA H 3.800 . 3.800 3.821 3.798 3.854 0.054 17 0 "[ . 1 . 2]" 1
450 1 23 ARG HA 1 34 ILE MD 5.500 . 5.500 3.564 2.651 3.963 . 0 0 "[ . 1 . 2]" 1
451 1 23 ARG HA 1 34 ILE QG 5.200 . 5.200 4.438 3.662 5.040 . 0 0 "[ . 1 . 2]" 1
452 1 23 ARG QB 1 23 ARG HE 4.400 . 4.400 3.528 3.011 3.651 . 0 0 "[ . 1 . 2]" 1
453 1 23 ARG QB 1 23 ARG QH2 6.000 . 6.000 4.792 3.502 4.934 . 0 0 "[ . 1 . 2]" 1
454 1 23 ARG QB 1 24 GLN H 3.300 . 3.300 2.531 2.355 2.699 . 0 0 "[ . 1 . 2]" 1
455 1 23 ARG QB 1 27 ALA H 5.800 . 5.800 4.619 4.526 4.876 . 0 0 "[ . 1 . 2]" 1
456 1 23 ARG QB 1 34 ILE MD 4.300 . 4.300 2.581 2.096 3.559 . 0 0 "[ . 1 . 2]" 1
457 1 23 ARG QB 1 34 ILE QG 6.200 . 6.200 2.712 1.910 3.376 . 0 0 "[ . 1 . 2]" 1
458 1 23 ARG HB2 1 23 ARG HD2 4.100 . 4.100 3.901 2.225 4.193 0.093 20 0 "[ . 1 . 2]" 1
459 1 23 ARG HB2 1 23 ARG HD3 4.100 . 4.100 3.599 3.469 3.679 . 0 0 "[ . 1 . 2]" 1
460 1 23 ARG HB2 1 23 ARG HE 4.600 . 4.600 4.060 3.104 4.310 . 0 0 "[ . 1 . 2]" 1
461 1 23 ARG HB2 1 24 GLN H 4.000 . 4.000 2.655 2.410 3.339 . 0 0 "[ . 1 . 2]" 1
462 1 23 ARG HB3 1 23 ARG HD2 4.100 . 4.100 3.597 3.494 4.058 . 0 0 "[ . 1 . 2]" 1
463 1 23 ARG HB3 1 23 ARG HD3 4.100 . 4.100 2.784 2.475 4.154 0.054 14 0 "[ . 1 . 2]" 1
464 1 23 ARG HB3 1 23 ARG HE 4.600 . 4.600 3.923 3.875 4.057 . 0 0 "[ . 1 . 2]" 1
465 1 23 ARG HB3 1 24 GLN H 4.000 . 4.000 3.438 2.606 3.745 . 0 0 "[ . 1 . 2]" 1
466 1 23 ARG QD 1 34 ILE MD 5.200 . 5.200 3.567 2.731 4.661 . 0 0 "[ . 1 . 2]" 1
467 1 23 ARG QD 1 34 ILE QG 5.000 . 5.000 3.900 3.245 4.400 . 0 0 "[ . 1 . 2]" 1
468 1 23 ARG HD2 1 34 ILE MD 5.700 . 5.700 4.798 3.886 5.509 . 0 0 "[ . 1 . 2]" 1
469 1 23 ARG HD2 1 34 ILE QG 5.300 . 5.300 4.731 4.066 5.269 . 0 0 "[ . 1 . 2]" 1
470 1 23 ARG HD3 1 34 ILE MD 5.700 . 5.700 3.694 2.790 5.030 . 0 0 "[ . 1 . 2]" 1
471 1 23 ARG HD3 1 34 ILE QG 5.300 . 5.300 4.158 3.410 4.714 . 0 0 "[ . 1 . 2]" 1
472 1 23 ARG HE 1 27 ALA H 5.300 . 5.300 5.330 5.290 5.356 0.056 16 0 "[ . 1 . 2]" 1
473 1 23 ARG HE 1 34 ILE MD 7.500 . 7.500 4.862 3.594 5.432 . 0 0 "[ . 1 . 2]" 1
474 1 23 ARG HE 1 34 ILE QG 7.500 . 7.500 5.516 4.180 6.204 . 0 0 "[ . 1 . 2]" 1
475 1 23 ARG QG 1 34 ILE MD 8.200 . 8.200 3.717 1.951 4.523 . 0 0 "[ . 1 . 2]" 1
476 1 23 ARG O 1 27 ALA H 2.000 . 2.000 1.807 1.770 1.892 0.030 5 0 "[ . 1 . 2]" 1
477 1 23 ARG O 1 27 ALA N 3.000 . 3.000 2.628 2.589 2.698 . 0 0 "[ . 1 . 2]" 1
478 1 24 GLN H 1 24 GLN HB2 3.500 . 3.500 2.096 2.090 2.110 . 0 0 "[ . 1 . 2]" 1
479 1 24 GLN H 1 24 GLN QB 3.200 . 3.200 2.076 2.071 2.090 . 0 0 "[ . 1 . 2]" 1
480 1 24 GLN H 1 24 GLN HB3 3.500 . 3.500 3.362 3.353 3.371 . 0 0 "[ . 1 . 2]" 1
481 1 24 GLN H 1 24 GLN HG2 4.000 . 4.000 3.996 3.985 4.005 0.005 2 0 "[ . 1 . 2]" 1
482 1 24 GLN H 1 24 GLN QG 3.700 . 3.700 3.253 3.243 3.270 . 0 0 "[ . 1 . 2]" 1
483 1 24 GLN H 1 24 GLN HG3 4.000 . 4.000 3.445 3.430 3.468 . 0 0 "[ . 1 . 2]" 1
484 1 24 GLN H 1 25 VAL H 3.200 . 3.200 2.616 2.536 2.653 . 0 0 "[ . 1 . 2]" 1
485 1 24 GLN H 1 25 VAL QG 9.100 . 9.100 3.855 3.731 3.957 . 0 0 "[ . 1 . 2]" 1
486 1 24 GLN HA 1 24 GLN HB2 2.900 . 2.900 2.905 2.898 2.911 0.011 17 0 "[ . 1 . 2]" 1
487 1 24 GLN HA 1 24 GLN HB3 2.900 . 2.900 2.793 2.782 2.800 . 0 0 "[ . 1 . 2]" 1
488 1 24 GLN HA 1 24 GLN HG2 3.000 . 3.000 2.126 2.119 2.134 . 0 0 "[ . 1 . 2]" 1
489 1 24 GLN HA 1 24 GLN QG 2.800 . 2.800 2.083 2.078 2.090 . 0 0 "[ . 1 . 2]" 1
490 1 24 GLN HA 1 24 GLN HG3 3.000 . 3.000 2.994 2.977 3.004 0.004 5 0 "[ . 1 . 2]" 1
491 1 24 GLN HA 1 25 VAL H 3.500 . 3.500 3.531 3.511 3.540 0.040 7 0 "[ . 1 . 2]" 1
492 1 24 GLN HA 1 26 CYS H 4.500 . 4.500 4.411 4.363 4.434 . 0 0 "[ . 1 . 2]" 1
493 1 24 GLN HA 1 27 ALA H 3.300 . 3.300 3.346 3.338 3.356 0.056 6 0 "[ . 1 . 2]" 1
494 1 24 GLN HA 1 34 ILE MD 6.100 . 6.100 3.509 3.119 4.237 . 0 0 "[ . 1 . 2]" 1
495 1 24 GLN QE 1 34 ILE HB 7.400 . 7.400 6.832 5.873 7.371 . 0 0 "[ . 1 . 2]" 1
496 1 24 GLN HE21 1 34 ILE QG 7.500 . 7.500 5.242 4.769 5.606 . 0 0 "[ . 1 . 2]" 1
497 1 24 GLN HE22 1 34 ILE QG 7.500 . 7.500 6.485 5.987 6.853 . 0 0 "[ . 1 . 2]" 1
498 1 24 GLN QG 1 25 VAL H 5.800 . 5.800 4.374 4.341 4.445 . 0 0 "[ . 1 . 2]" 1
499 1 24 GLN HG2 1 25 VAL H 6.500 . 6.500 4.869 4.833 4.939 . 0 0 "[ . 1 . 2]" 1
500 1 24 GLN HG3 1 25 VAL H 6.500 . 6.500 4.954 4.914 5.044 . 0 0 "[ . 1 . 2]" 1
501 1 24 GLN O 1 28 SER H 2.000 . 2.000 1.933 1.882 1.954 . 0 0 "[ . 1 . 2]" 1
502 1 24 GLN O 1 28 SER N 3.000 . 3.000 2.820 2.779 2.844 . 0 0 "[ . 1 . 2]" 1
503 1 25 VAL H 1 25 VAL HA 2.700 . 2.700 2.728 2.703 2.789 0.089 5 0 "[ . 1 . 2]" 1
504 1 25 VAL H 1 25 VAL HB 2.800 . 2.800 2.646 2.624 2.671 . 0 0 "[ . 1 . 2]" 1
505 1 25 VAL H 1 25 VAL QG . . 3.600 2.044 1.953 2.133 . 0 0 "[ . 1 . 2]" 1
506 1 25 VAL H 1 26 CYS H 2.800 . 2.800 2.631 2.569 2.659 . 0 0 "[ . 1 . 2]" 1
507 1 25 VAL HA 1 26 CYS H 3.500 . 3.500 3.494 3.477 3.510 0.010 5 0 "[ . 1 . 2]" 1
508 1 25 VAL HA 1 27 ALA H 4.300 . 4.300 4.344 4.327 4.359 0.059 20 0 "[ . 1 . 2]" 1
509 1 25 VAL HA 1 28 SER H 3.400 . 3.400 3.406 3.383 3.415 0.015 2 0 "[ . 1 . 2]" 1
510 1 25 VAL HA 1 29 LEU H 4.700 . 4.700 4.640 4.560 4.698 . 0 0 "[ . 1 . 2]" 1
511 1 25 VAL HB 1 26 CYS H 2.800 . 2.800 2.562 2.532 2.656 . 0 0 "[ . 1 . 2]" 1
512 1 25 VAL HB 1 27 ALA H 4.900 . 4.900 4.911 4.902 4.924 0.024 7 0 "[ . 1 . 2]" 1
513 1 25 VAL QG 1 26 CYS H . . 4.200 3.219 3.201 3.271 . 0 0 "[ . 1 . 2]" 1
514 1 25 VAL QG 1 28 SER H . . 7.000 4.297 4.270 4.335 . 0 0 "[ . 1 . 2]" 1
515 1 26 CYS H 1 26 CYS HB2 3.300 . 3.300 2.069 2.055 2.096 . 0 0 "[ . 1 . 2]" 1
516 1 26 CYS H 1 26 CYS QB 3.000 . 3.000 2.048 2.033 2.070 . 0 0 "[ . 1 . 2]" 1
517 1 26 CYS H 1 26 CYS HB3 3.300 . 3.300 3.293 3.154 3.338 0.038 15 0 "[ . 1 . 2]" 1
518 1 26 CYS H 1 27 ALA H 2.800 . 2.800 2.557 2.435 2.589 . 0 0 "[ . 1 . 2]" 1
519 1 26 CYS H 1 27 ALA MB 6.500 . 6.500 4.170 4.025 4.248 . 0 0 "[ . 1 . 2]" 1
520 1 26 CYS H 1 28 SER H 4.100 . 4.100 4.024 3.880 4.069 . 0 0 "[ . 1 . 2]" 1
521 1 26 CYS HA 1 26 CYS HB2 3.000 . 3.000 2.804 2.723 2.840 . 0 0 "[ . 1 . 2]" 1
522 1 26 CYS HA 1 26 CYS HB3 3.000 . 3.000 2.779 2.744 2.839 . 0 0 "[ . 1 . 2]" 1
523 1 26 CYS HA 1 29 LEU H 3.800 . 3.800 3.303 3.256 3.359 . 0 0 "[ . 1 . 2]" 1
524 1 26 CYS HA 1 29 LEU QD . . 5.000 3.013 2.609 3.650 . 0 0 "[ . 1 . 2]" 1
525 1 26 CYS QB 1 27 ALA H 3.000 . 3.000 2.659 2.611 2.729 . 0 0 "[ . 1 . 2]" 1
526 1 26 CYS QB 1 29 LEU H 7.400 . 7.400 4.480 4.446 4.524 . 0 0 "[ . 1 . 2]" 1
527 1 26 CYS QB 1 29 LEU QD 6.300 . 6.300 4.502 4.195 5.013 . 0 0 "[ . 1 . 2]" 1
528 1 26 CYS HB2 1 27 ALA H 3.200 . 3.200 3.023 2.945 3.211 0.011 14 0 "[ . 1 . 2]" 1
529 1 26 CYS HB2 1 29 LEU QD 6.800 . 6.800 5.001 4.586 5.627 . 0 0 "[ . 1 . 2]" 1
530 1 26 CYS HB3 1 27 ALA H 3.200 . 3.200 2.960 2.786 3.032 . 0 0 "[ . 1 . 2]" 1
531 1 26 CYS HB3 1 29 LEU QD 6.800 . 6.800 5.112 4.799 5.628 . 0 0 "[ . 1 . 2]" 1
532 1 26 CYS O 1 29 LEU H 2.000 . 2.000 2.041 2.032 2.051 0.051 6 0 "[ . 1 . 2]" 1
533 1 26 CYS O 1 29 LEU N 3.000 . 3.000 2.851 2.834 2.865 . 0 0 "[ . 1 . 2]" 1
534 1 26 CYS O 1 30 SER H 2.000 . 2.000 1.934 1.789 2.019 0.019 20 0 "[ . 1 . 2]" 1
535 1 26 CYS O 1 30 SER N 3.000 . 3.000 2.793 2.651 2.880 . 0 0 "[ . 1 . 2]" 1
536 1 27 ALA H 1 27 ALA HA 2.900 . 2.900 2.772 2.763 2.794 . 0 0 "[ . 1 . 2]" 1
537 1 27 ALA H 1 27 ALA MB 3.400 . 3.400 2.096 2.034 2.182 . 0 0 "[ . 1 . 2]" 1
538 1 27 ALA H 1 28 SER H 2.800 . 2.800 2.639 2.566 2.674 . 0 0 "[ . 1 . 2]" 1
539 1 27 ALA H 1 29 LEU H 4.700 . 4.700 3.721 3.678 3.756 . 0 0 "[ . 1 . 2]" 1
540 1 27 ALA H 1 29 LEU QD 9.100 . 9.100 4.959 4.767 5.207 . 0 0 "[ . 1 . 2]" 1
541 1 27 ALA H 1 34 ILE MD 7.100 . 7.100 3.372 2.980 3.766 . 0 0 "[ . 1 . 2]" 1
542 1 27 ALA HA 1 28 SER H 3.500 . 3.500 3.521 3.505 3.531 0.031 10 0 "[ . 1 . 2]" 1
543 1 27 ALA HA 1 29 LEU H 4.500 . 4.500 3.761 3.721 3.806 . 0 0 "[ . 1 . 2]" 1
544 1 27 ALA HA 1 30 SER H 3.400 . 3.400 3.439 3.430 3.453 0.053 18 0 "[ . 1 . 2]" 1
545 1 27 ALA HA 1 34 ILE MD 7.400 . 7.400 3.231 2.599 3.864 . 0 0 "[ . 1 . 2]" 1
546 1 27 ALA MB 1 28 SER H 3.800 . 3.800 2.610 2.481 2.760 . 0 0 "[ . 1 . 2]" 1
547 1 27 ALA MB 1 29 LEU H 7.200 . 7.200 4.124 4.076 4.181 . 0 0 "[ . 1 . 2]" 1
548 1 27 ALA MB 1 31 GLY H 5.400 . 5.400 4.327 4.180 4.464 . 0 0 "[ . 1 . 2]" 1
549 1 27 ALA MB 1 32 CYS H 3.900 . 3.900 3.816 3.724 3.869 . 0 0 "[ . 1 . 2]" 1
550 1 27 ALA MB 1 34 ILE H 5.200 . 5.200 3.707 3.336 4.226 . 0 0 "[ . 1 . 2]" 1
551 1 27 ALA MB 1 34 ILE MD 4.600 . 4.600 1.865 1.793 2.345 0.007 15 0 "[ . 1 . 2]" 1
552 1 27 ALA O 1 31 GLY H 2.000 . 2.000 1.871 1.802 2.000 0.000 14 0 "[ . 1 . 2]" 1
553 1 27 ALA O 1 31 GLY N 3.000 . 3.000 2.549 2.503 2.579 . 0 0 "[ . 1 . 2]" 1
554 1 28 SER H 1 28 SER HA 2.800 . 2.800 2.863 2.849 2.875 0.075 20 0 "[ . 1 . 2]" 1
555 1 28 SER H 1 28 SER QB 3.500 . 3.500 2.258 2.155 2.361 . 0 0 "[ . 1 . 2]" 1
556 1 28 SER H 1 29 LEU H 2.700 . 2.700 2.474 2.406 2.519 . 0 0 "[ . 1 . 2]" 1
557 1 28 SER H 1 29 LEU QB 4.900 . 4.900 4.050 3.995 4.124 . 0 0 "[ . 1 . 2]" 1
558 1 28 SER HA 1 31 GLY H 3.400 . 3.400 3.434 3.413 3.453 0.053 19 0 "[ . 1 . 2]" 1
559 1 28 SER QB 1 29 LEU H 3.900 . 3.900 3.283 3.227 3.332 . 0 0 "[ . 1 . 2]" 1
560 1 29 LEU H 1 29 LEU HA 2.800 . 2.800 2.898 2.890 2.910 0.110 19 0 "[ . 1 . 2]" 1
561 1 29 LEU H 1 29 LEU HB2 3.300 . 3.300 2.187 2.154 2.226 . 0 0 "[ . 1 . 2]" 1
562 1 29 LEU H 1 29 LEU QB 3.100 . 3.100 2.157 2.126 2.192 . 0 0 "[ . 1 . 2]" 1
563 1 29 LEU H 1 29 LEU HB3 3.300 . 3.300 3.281 3.265 3.310 0.010 16 0 "[ . 1 . 2]" 1
564 1 29 LEU H 1 29 LEU QD . . 4.700 3.162 2.938 3.297 . 0 0 "[ . 1 . 2]" 1
565 1 29 LEU H 1 30 SER H 2.700 . 2.700 2.168 2.074 2.254 . 0 0 "[ . 1 . 2]" 1
566 1 29 LEU HA 1 29 LEU HB2 3.000 . 3.000 2.878 2.867 2.891 . 0 0 "[ . 1 . 2]" 1
567 1 29 LEU HA 1 29 LEU HB3 3.000 . 3.000 2.810 2.799 2.817 . 0 0 "[ . 1 . 2]" 1
568 1 29 LEU HA 1 29 LEU QD 4.200 . 4.200 2.540 1.915 2.880 . 0 0 "[ . 1 . 2]" 1
569 1 29 LEU HB2 1 30 SER H 3.200 . 3.200 3.201 3.147 3.212 0.012 12 0 "[ . 1 . 2]" 1
570 1 29 LEU HB3 1 30 SER H 3.200 . 3.200 3.204 3.163 3.218 0.018 19 0 "[ . 1 . 2]" 1
571 1 29 LEU QD 1 30 SER H . . 5.300 4.148 4.001 4.218 . 0 0 "[ . 1 . 2]" 1
572 1 29 LEU QD 1 31 GLY H 8.900 . 8.900 5.258 4.947 5.421 . 0 0 "[ . 1 . 2]" 1
573 1 30 SER H 1 30 SER QB 3.600 . 3.600 2.802 2.627 3.035 . 0 0 "[ . 1 . 2]" 1
574 1 30 SER H 1 31 GLY H 2.800 . 2.800 2.048 1.958 2.113 . 0 0 "[ . 1 . 2]" 1
575 1 30 SER H 1 32 CYS H 3.600 . 3.600 3.511 3.333 3.597 . 0 0 "[ . 1 . 2]" 1
576 1 30 SER HA 1 31 GLY H 3.400 . 3.400 3.366 3.232 3.409 0.009 3 0 "[ . 1 . 2]" 1
577 1 30 SER QB 1 31 GLY H 3.700 . 3.700 3.479 3.161 3.738 0.038 20 0 "[ . 1 . 2]" 1
578 1 31 GLY QA 1 32 CYS H 3.000 . 3.000 2.873 2.830 2.930 . 0 0 "[ . 1 . 2]" 1
579 1 32 CYS H 1 32 CYS HA 2.900 . 2.900 2.879 2.850 2.911 0.011 20 0 "[ . 1 . 2]" 1
580 1 32 CYS H 1 32 CYS HB2 3.600 . 3.600 2.652 2.562 2.746 . 0 0 "[ . 1 . 2]" 1
581 1 32 CYS H 1 32 CYS HB3 3.600 . 3.600 3.621 3.597 3.649 0.049 20 0 "[ . 1 . 2]" 1
582 1 32 CYS H 1 33 LYS H 4.900 . 4.900 4.493 4.469 4.537 . 0 0 "[ . 1 . 2]" 1
583 1 32 CYS HA 1 33 LYS H 2.400 . 2.400 2.393 2.352 2.460 0.060 8 0 "[ . 1 . 2]" 1
584 1 32 CYS HA 1 44 TYR CG 8.500 . 8.500 6.741 5.945 7.572 . 0 0 "[ . 1 . 2]" 1
585 1 32 CYS HA 1 44 TYR CZ 8.500 . 8.500 5.877 4.944 6.684 . 0 0 "[ . 1 . 2]" 1
586 1 32 CYS QB 1 33 LYS H 2.900 . 2.900 2.235 2.124 2.325 . 0 0 "[ . 1 . 2]" 1
587 1 32 CYS HB2 1 33 LYS H 3.200 . 3.200 3.209 3.189 3.234 0.034 8 0 "[ . 1 . 2]" 1
588 1 32 CYS HB3 1 33 LYS H 3.200 . 3.200 2.282 2.155 2.387 . 0 0 "[ . 1 . 2]" 1
589 1 33 LYS H 1 33 LYS HB2 3.200 . 3.200 2.553 2.258 3.214 0.014 10 0 "[ . 1 . 2]" 1
590 1 33 LYS H 1 33 LYS QB 2.900 . 2.900 2.311 2.203 2.471 . 0 0 "[ . 1 . 2]" 1
591 1 33 LYS H 1 33 LYS HB3 3.200 . 3.200 2.872 2.439 3.186 . 0 0 "[ . 1 . 2]" 1
592 1 33 LYS H 1 33 LYS QD 4.800 . 4.800 4.183 3.613 4.808 0.008 3 0 "[ . 1 . 2]" 1
593 1 33 LYS H 1 33 LYS QE 3.900 . 3.900 3.764 3.296 3.923 0.023 10 0 "[ . 1 . 2]" 1
594 1 33 LYS H 1 33 LYS QG 4.600 . 4.600 4.082 4.007 4.190 . 0 0 "[ . 1 . 2]" 1
595 1 33 LYS H 1 34 ILE H 4.800 . 4.800 4.390 4.159 4.514 . 0 0 "[ . 1 . 2]" 1
596 1 33 LYS H 1 44 TYR CG 7.200 . 7.200 6.800 6.365 7.172 . 0 0 "[ . 1 . 2]" 1
597 1 33 LYS H 1 44 TYR CZ 6.400 . 6.400 6.180 5.549 6.401 0.001 15 0 "[ . 1 . 2]" 1
598 1 33 LYS HA 1 33 LYS HB2 2.900 . 2.900 2.653 2.339 2.801 . 0 0 "[ . 1 . 2]" 1
599 1 33 LYS HA 1 33 LYS HB3 2.900 . 2.900 2.943 2.899 3.008 0.108 18 0 "[ . 1 . 2]" 1
600 1 33 LYS HA 1 33 LYS QE 5.300 . 5.300 3.410 1.938 4.529 . 0 0 "[ . 1 . 2]" 1
601 1 33 LYS HA 1 34 ILE H 2.400 . 2.400 2.171 2.138 2.274 . 0 0 "[ . 1 . 2]" 1
602 1 33 LYS QB 1 34 ILE H 4.300 . 4.300 3.620 3.176 3.947 . 0 0 "[ . 1 . 2]" 1
603 1 33 LYS QB 1 44 TYR CG 6.800 . 6.800 6.084 5.661 6.617 . 0 0 "[ . 1 . 2]" 1
604 1 33 LYS QB 1 44 TYR CZ 7.700 . 7.700 5.135 4.315 5.761 . 0 0 "[ . 1 . 2]" 1
605 1 33 LYS QD 1 34 ILE H 7.100 . 7.100 4.425 3.288 5.272 . 0 0 "[ . 1 . 2]" 1
606 1 33 LYS QD 1 44 TYR CG 7.800 . 7.800 7.091 6.067 7.763 . 0 0 "[ . 1 . 2]" 1
607 1 33 LYS QD 1 44 TYR CZ 7.600 . 7.600 5.725 4.230 7.135 . 0 0 "[ . 1 . 2]" 1
608 1 33 LYS QE 1 44 TYR CG 9.400 . 9.400 6.610 5.340 8.281 . 0 0 "[ . 1 . 2]" 1
609 1 33 LYS QE 1 44 TYR CZ 8.400 . 8.400 5.485 3.496 7.647 . 0 0 "[ . 1 . 2]" 1
610 1 33 LYS QG 1 44 TYR CG 9.200 . 9.200 7.702 6.951 8.632 . 0 0 "[ . 1 . 2]" 1
611 1 33 LYS QG 1 44 TYR CZ 9.500 . 9.500 6.448 5.117 7.454 . 0 0 "[ . 1 . 2]" 1
612 1 34 ILE H 1 34 ILE HB 2.800 . 2.800 2.645 2.616 2.682 . 0 0 "[ . 1 . 2]" 1
613 1 34 ILE H 1 34 ILE MD 5.200 . 5.200 2.877 2.718 3.089 . 0 0 "[ . 1 . 2]" 1
614 1 34 ILE H 1 34 ILE HG12 3.700 . 3.700 1.973 1.895 2.166 . 0 0 "[ . 1 . 2]" 1
615 1 34 ILE H 1 34 ILE QG 3.200 . 3.200 1.956 1.882 2.138 . 0 0 "[ . 1 . 2]" 1
616 1 34 ILE H 1 34 ILE HG13 3.700 . 3.700 3.513 3.458 3.627 . 0 0 "[ . 1 . 2]" 1
617 1 34 ILE H 1 35 ILE H 5.200 . 5.200 4.489 4.141 4.604 . 0 0 "[ . 1 . 2]" 1
618 1 34 ILE HA 1 34 ILE MD 3.400 . 3.400 1.956 1.877 2.145 . 0 0 "[ . 1 . 2]" 1
619 1 34 ILE HA 1 34 ILE QG 3.400 . 3.400 2.136 2.061 2.181 . 0 0 "[ . 1 . 2]" 1
620 1 34 ILE HA 1 35 ILE H 2.400 . 2.400 2.164 2.132 2.218 . 0 0 "[ . 1 . 2]" 1
621 1 34 ILE HB 1 34 ILE HG12 2.800 . 2.800 2.398 2.380 2.424 . 0 0 "[ . 1 . 2]" 1
622 1 34 ILE HB 1 34 ILE HG13 2.800 . 2.800 2.424 2.407 2.476 . 0 0 "[ . 1 . 2]" 1
623 1 34 ILE MD 1 35 ILE H 4.900 . 4.900 3.692 3.550 3.869 . 0 0 "[ . 1 . 2]" 1
624 1 34 ILE QG 1 36 SER H 5.500 . 5.500 4.824 4.586 5.035 . 0 0 "[ . 1 . 2]" 1
625 1 35 ILE H 1 35 ILE HB 3.800 . 3.800 2.628 2.102 2.956 . 0 0 "[ . 1 . 2]" 1
626 1 35 ILE H 1 35 ILE QG 4.300 . 4.300 2.093 1.878 2.782 . 0 0 "[ . 1 . 2]" 1
627 1 35 ILE H 1 36 SER H 4.800 . 4.800 4.575 4.484 4.636 . 0 0 "[ . 1 . 2]" 1
628 1 35 ILE HA 1 36 SER H 2.500 . 2.500 2.233 2.141 2.320 . 0 0 "[ . 1 . 2]" 1
629 1 35 ILE HA 1 37 ALA H 4.600 . 4.600 3.996 3.753 4.216 . 0 0 "[ . 1 . 2]" 1
630 1 35 ILE HB 1 36 SER H 4.900 . 4.900 4.033 3.645 4.410 . 0 0 "[ . 1 . 2]" 1
631 1 35 ILE HB 1 37 ALA H 4.500 . 4.500 4.329 3.215 4.523 0.023 13 0 "[ . 1 . 2]" 1
632 1 35 ILE QG 1 36 SER H 4.800 . 4.800 2.073 1.928 3.112 . 0 0 "[ . 1 . 2]" 1
633 1 35 ILE QG 1 37 ALA H . . 5.000 1.911 1.804 2.075 . 0 0 "[ . 1 . 2]" 1
634 1 36 SER H 1 36 SER QB 3.400 . 3.400 2.600 2.257 2.969 . 0 0 "[ . 1 . 2]" 1
635 1 36 SER H 1 37 ALA H 2.900 . 2.900 2.674 2.419 2.917 0.017 5 0 "[ . 1 . 2]" 1
636 1 36 SER HA 1 37 ALA H 3.400 . 3.400 2.871 2.751 2.928 . 0 0 "[ . 1 . 2]" 1
637 1 37 ALA H 1 37 ALA HA 2.800 . 2.800 2.811 2.786 2.847 0.047 5 0 "[ . 1 . 2]" 1
638 1 37 ALA H 1 37 ALA MB 3.400 . 3.400 2.879 2.773 2.935 . 0 0 "[ . 1 . 2]" 1
639 1 37 ALA H 1 38 SER H 4.400 . 4.400 4.295 4.239 4.325 . 0 0 "[ . 1 . 2]" 1
640 1 37 ALA HA 1 38 SER H 2.900 . 2.900 2.707 2.575 2.883 . 0 0 "[ . 1 . 2]" 1
641 1 37 ALA MB 1 38 SER H 4.200 . 4.200 2.076 1.948 2.224 . 0 0 "[ . 1 . 2]" 1
642 1 37 ALA MB 1 39 THR H 3.700 . 3.700 2.222 2.108 2.351 . 0 0 "[ . 1 . 2]" 1
643 1 38 SER H 1 38 SER HA 2.800 . 2.800 2.888 2.872 2.915 0.115 2 0 "[ . 1 . 2]" 1
644 1 38 SER H 1 38 SER HB2 3.700 . 3.700 2.529 2.203 2.843 . 0 0 "[ . 1 . 2]" 1
645 1 38 SER H 1 38 SER HB3 3.700 . 3.700 3.610 3.481 3.699 . 0 0 "[ . 1 . 2]" 1
646 1 38 SER HA 1 39 THR H 3.100 . 3.100 3.099 2.959 3.174 0.074 17 0 "[ . 1 . 2]" 1
647 1 38 SER QB 1 39 THR HA 4.700 . 4.700 4.377 4.255 4.477 . 0 0 "[ . 1 . 2]" 1
648 1 39 THR H 1 39 THR HB 2.900 . 2.900 2.932 2.806 2.992 0.092 6 0 "[ . 1 . 2]" 1
649 1 39 THR H 1 39 THR HG1 4.500 . 4.500 3.048 2.324 3.578 . 0 0 "[ . 1 . 2]" 1
650 1 39 THR HA 1 39 THR HG1 3.400 . 3.400 2.188 2.070 2.329 . 0 0 "[ . 1 . 2]" 1
651 1 39 THR HA 1 40 CYS H 3.300 . 3.300 2.575 2.440 3.383 0.083 2 0 "[ . 1 . 2]" 1
652 1 39 THR HB 1 40 CYS H 3.200 . 3.200 3.115 1.858 3.242 0.042 6 0 "[ . 1 . 2]" 1
653 1 39 THR HG1 1 40 CYS H 4.800 . 4.800 2.013 1.885 3.810 . 0 0 "[ . 1 . 2]" 1
654 1 40 CYS H 1 40 CYS HA 2.800 . 2.800 2.821 2.238 2.901 0.101 8 0 "[ . 1 . 2]" 1
655 1 40 CYS H 1 40 CYS HB2 3.400 . 3.400 2.682 2.232 3.182 . 0 0 "[ . 1 . 2]" 1
656 1 40 CYS H 1 40 CYS QB 3.200 . 3.200 2.554 2.187 2.933 . 0 0 "[ . 1 . 2]" 1
657 1 40 CYS H 1 40 CYS HB3 3.400 . 3.400 3.272 2.969 3.470 0.070 2 0 "[ . 1 . 2]" 1
658 1 40 CYS HA 1 41 PRO HB2 5.700 . 5.700 5.507 5.358 5.568 . 0 0 "[ . 1 . 2]" 1
659 1 40 CYS HA 1 41 PRO HB3 5.700 . 5.700 4.915 4.791 5.221 . 0 0 "[ . 1 . 2]" 1
660 1 40 CYS HA 1 41 PRO QD 3.400 . 3.400 1.973 1.826 2.061 . 0 0 "[ . 1 . 2]" 1
661 1 40 CYS QB 1 41 PRO QD 7.700 . 7.700 3.227 2.933 3.700 . 0 0 "[ . 1 . 2]" 1
662 1 40 CYS QB 1 45 PRO HA 6.300 . 6.300 3.302 2.681 3.694 . 0 0 "[ . 1 . 2]" 1
663 1 40 CYS HB2 1 45 PRO HA 4.300 . 4.300 4.115 3.210 4.307 0.007 15 0 "[ . 1 . 2]" 1
664 1 40 CYS HB3 1 45 PRO HA 4.300 . 4.300 3.481 2.872 4.025 . 0 0 "[ . 1 . 2]" 1
665 1 41 PRO HA 1 42 SER H 2.800 . 2.800 2.696 2.150 2.800 0.000 2 0 "[ . 1 . 2]" 1
666 1 41 PRO QB 1 42 SER H 4.000 . 4.000 1.996 1.808 3.519 . 0 0 "[ . 1 . 2]" 1
667 1 41 PRO QD 1 44 TYR CG 9.300 . 9.300 8.081 7.685 8.666 . 0 0 "[ . 1 . 2]" 1
668 1 41 PRO QG 1 42 SER H 4.700 . 4.700 3.687 3.531 4.674 . 0 0 "[ . 1 . 2]" 1
669 1 41 PRO QG 1 43 ASP H 4.100 . 4.100 3.142 2.932 4.087 . 0 0 "[ . 1 . 2]" 1
670 1 41 PRO QG 1 44 TYR H 8.400 . 8.400 5.792 5.580 6.757 . 0 0 "[ . 1 . 2]" 1
671 1 41 PRO O 1 43 ASP H 2.000 . 2.000 2.021 1.984 2.102 0.102 6 0 "[ . 1 . 2]" 1
672 1 41 PRO O 1 43 ASP N 3.000 . 3.000 2.837 2.414 2.891 . 0 0 "[ . 1 . 2]" 1
673 1 42 SER H 1 42 SER HB2 3.100 . 3.100 2.560 2.287 3.233 0.133 10 0 "[ . 1 . 2]" 1
674 1 42 SER H 1 42 SER HB3 3.100 . 3.100 2.935 2.706 3.223 0.123 19 0 "[ . 1 . 2]" 1
675 1 42 SER H 1 43 ASP H 3.200 . 3.200 3.245 2.993 3.290 0.090 11 0 "[ . 1 . 2]" 1
676 1 42 SER QB 1 43 ASP H 4.200 . 4.200 3.902 3.752 3.948 . 0 0 "[ . 1 . 2]" 1
677 1 42 SER HB2 1 43 ASP H 4.800 . 4.800 4.507 4.259 4.647 . 0 0 "[ . 1 . 2]" 1
678 1 42 SER HB3 1 43 ASP H 4.800 . 4.800 4.305 3.961 4.657 . 0 0 "[ . 1 . 2]" 1
679 1 43 ASP H 1 43 ASP HA 2.800 . 2.800 2.874 2.848 2.921 0.121 17 0 "[ . 1 . 2]" 1
680 1 43 ASP H 1 43 ASP QB 3.600 . 3.600 2.544 2.260 3.011 . 0 0 "[ . 1 . 2]" 1
681 1 43 ASP H 1 44 TYR CG 8.300 . 8.300 5.539 5.436 5.640 . 0 0 "[ . 1 . 2]" 1
682 1 43 ASP H 1 44 TYR CZ 8.500 . 8.500 6.505 6.377 6.620 . 0 0 "[ . 1 . 2]" 1
683 1 43 ASP H 1 44 TYR H 3.000 . 3.000 2.960 2.938 2.994 . 0 0 "[ . 1 . 2]" 1
684 1 43 ASP H 1 45 PRO QD 7.500 . 7.500 3.584 3.160 4.095 . 0 0 "[ . 1 . 2]" 1
685 1 43 ASP HA 1 44 TYR H 3.500 . 3.500 2.662 2.608 2.780 . 0 0 "[ . 1 . 2]" 1
686 1 43 ASP QB 1 44 TYR CG 8.200 . 8.200 4.271 4.079 4.669 . 0 0 "[ . 1 . 2]" 1
687 1 43 ASP QB 1 44 TYR CZ 8.800 . 8.800 3.939 3.536 4.635 . 0 0 "[ . 1 . 2]" 1
688 1 43 ASP QB 1 44 TYR H 4.500 . 4.500 3.901 3.820 4.001 . 0 0 "[ . 1 . 2]" 1
689 1 44 TYR CG 1 45 PRO QD 9.500 . 9.500 4.743 4.711 4.786 . 0 0 "[ . 1 . 2]" 1
690 1 44 TYR H 1 44 TYR HA 2.800 . 2.800 2.260 2.212 2.286 . 0 0 "[ . 1 . 2]" 1
691 1 44 TYR H 1 44 TYR QB 3.800 . 3.800 3.179 3.090 3.312 . 0 0 "[ . 1 . 2]" 1
692 1 44 TYR H 1 45 PRO QD 4.600 . 4.600 2.802 2.622 3.003 . 0 0 "[ . 1 . 2]" 1
693 1 44 TYR HA 1 44 TYR HB2 2.900 . 2.900 2.687 2.610 2.803 . 0 0 "[ . 1 . 2]" 1
694 1 44 TYR HA 1 44 TYR HB3 2.900 . 2.900 2.261 2.231 2.288 . 0 0 "[ . 1 . 2]" 1
695 1 44 TYR O 1 46 LYS H 2.000 . 2.000 1.925 1.836 1.981 . 0 0 "[ . 1 . 2]" 1
696 1 44 TYR O 1 46 LYS N 3.000 . 3.000 2.761 2.668 2.839 . 0 0 "[ . 1 . 2]" 1
697 1 45 PRO HA 1 46 LYS H 3.400 . 3.400 2.550 2.384 2.637 . 0 0 "[ . 1 . 2]" 1
698 1 45 PRO QD 1 46 LYS H 4.600 . 4.600 4.057 3.895 4.363 . 0 0 "[ . 1 . 2]" 1
699 1 45 PRO QD 1 46 LYS QB 5.800 . 5.800 4.444 4.197 5.391 . 0 0 "[ . 1 . 2]" 1
700 1 45 PRO QG 1 46 LYS H 5.500 . 5.500 4.415 4.318 4.590 . 0 0 "[ . 1 . 2]" 1
701 1 46 LYS H 1 46 LYS HA 2.900 . 2.900 2.920 2.743 2.940 0.040 2 0 "[ . 1 . 2]" 1
702 1 46 LYS H 1 46 LYS HB2 3.400 . 3.400 2.491 2.279 2.785 . 0 0 "[ . 1 . 2]" 1
703 1 46 LYS H 1 46 LYS QB 3.100 . 3.100 2.396 2.221 2.646 . 0 0 "[ . 1 . 2]" 1
704 1 46 LYS H 1 46 LYS HB3 3.400 . 3.400 3.255 2.353 3.409 0.009 10 0 "[ . 1 . 2]" 1
705 1 46 LYS H 1 46 LYS HE2 6.500 . 6.500 5.544 4.286 6.504 0.004 13 0 "[ . 1 . 2]" 1
706 1 46 LYS H 1 46 LYS HE3 6.500 . 6.500 5.273 3.307 6.499 . 0 0 "[ . 1 . 2]" 1
707 1 46 LYS HA 1 46 LYS HB2 2.900 . 2.900 2.817 2.335 2.912 0.012 10 0 "[ . 1 . 2]" 1
708 1 46 LYS HA 1 46 LYS HB3 2.900 . 2.900 2.854 2.773 2.988 0.088 9 0 "[ . 1 . 2]" 1
709 1 46 LYS HA 1 46 LYS QD 4.400 . 4.400 3.236 1.946 4.038 . 0 0 "[ . 1 . 2]" 1
710 1 46 LYS HA 1 46 LYS HE2 6.500 . 6.500 4.773 3.902 5.835 . 0 0 "[ . 1 . 2]" 1
711 1 46 LYS HA 1 46 LYS HE3 6.500 . 6.500 4.474 2.935 5.146 . 0 0 "[ . 1 . 2]" 1
712 1 46 LYS HA 1 46 LYS QG 4.000 . 4.000 2.191 2.014 2.612 . 0 0 "[ . 1 . 2]" 1
713 1 46 LYS QB 1 46 LYS QE 3.700 . 3.700 2.473 1.938 3.237 . 0 0 "[ . 1 . 2]" 1
714 1 46 LYS QB 1 46 LYS NZ 5.100 . 5.100 3.957 2.595 4.526 . 0 0 "[ . 1 . 2]" 1
715 1 46 LYS HB2 1 46 LYS HE2 4.800 . 4.800 3.464 2.125 4.641 . 0 0 "[ . 1 . 2]" 1
716 1 46 LYS HB2 1 46 LYS HE3 4.800 . 4.800 3.168 2.006 4.339 . 0 0 "[ . 1 . 2]" 1
717 1 46 LYS HB2 1 46 LYS NZ 5.600 . 5.600 4.437 2.631 5.606 0.006 13 0 "[ . 1 . 2]" 1
718 1 46 LYS HB3 1 46 LYS HE2 4.800 . 4.800 4.017 2.875 4.805 0.005 6 0 "[ . 1 . 2]" 1
719 1 46 LYS HB3 1 46 LYS HE3 4.800 . 4.800 3.473 1.983 4.054 . 0 0 "[ . 1 . 2]" 1
720 1 46 LYS HB3 1 46 LYS NZ 5.600 . 5.600 4.824 3.752 5.544 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, June 24, 2024 11:35:20 AM GMT (wattos1)