NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
592250 |
2mvo   |
25277 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mvo
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 451
_Distance_constraint_stats_list.Viol_count 1068
_Distance_constraint_stats_list.Viol_total 798.443
_Distance_constraint_stats_list.Viol_max 0.680
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0374
_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 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 1.160 0.054 11 0 "[ . 1 . 2]"
1 57 PRO 0.310 0.029 20 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.020 0.014 15 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.809 0.078 15 0 "[ . 1 . 2]"
1 66 GLN 0.020 0.014 15 0 "[ . 1 . 2]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.026 0.013 14 0 "[ . 1 . 2]"
1 70 GLU 0.856 0.067 16 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 0.850 0.054 11 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 4 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 1.276 0.069 6 0 "[ . 1 . 2]"
1 76 LEU 2.258 0.073 10 0 "[ . 1 . 2]"
1 77 TRP 6.143 0.134 14 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 1.478 0.053 12 0 "[ . 1 . 2]"
1 80 THR 0.030 0.013 1 0 "[ . 1 . 2]"
1 81 VAL 1.778 0.061 14 0 "[ . 1 . 2]"
1 82 ASP 2.746 0.134 14 0 "[ . 1 . 2]"
1 83 HIS 1.938 0.077 16 0 "[ . 1 . 2]"
1 84 GLY 3.371 0.064 6 0 "[ . 1 . 2]"
1 85 THR 0.907 0.049 15 0 "[ . 1 . 2]"
1 86 ILE 0.100 0.012 8 0 "[ . 1 . 2]"
1 87 GLU 0.012 0.012 14 0 "[ . 1 . 2]"
1 88 CYS 0.797 0.078 15 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 SER 0.356 0.043 14 0 "[ . 1 . 2]"
1 92 ASP 0.383 0.043 14 0 "[ . 1 . 2]"
1 93 ASN 0.852 0.075 4 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 1.777 0.079 5 0 "[ . 1 . 2]"
1 96 PHE 2.228 0.062 7 0 "[ . 1 . 2]"
1 97 VAL 0.118 0.018 14 0 "[ . 1 . 2]"
1 98 ALA 4.656 0.091 13 0 "[ . 1 . 2]"
1 99 PRO 2.804 0.077 16 0 "[ . 1 . 2]"
1 100 ASP 0.853 0.046 4 0 "[ . 1 . 2]"
1 101 GLY 1.811 0.054 20 0 "[ . 1 . 2]"
1 102 THR 0.743 0.041 18 0 "[ . 1 . 2]"
1 103 THR 1.693 0.091 13 0 "[ . 1 . 2]"
1 104 TYR 2.282 0.680 8 4 "[ * . + 1 -. *]"
1 105 ALA 0.684 0.029 20 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASN 1.360 0.079 5 0 "[ . 1 . 2]"
1 108 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ARG 0.592 0.054 18 0 "[ . 1 . 2]"
1 110 ALA 1.417 0.075 4 0 "[ . 1 . 2]"
1 111 GLU 0.418 0.068 17 0 "[ . 1 . 2]"
1 112 LYS 0.875 0.068 17 0 "[ . 1 . 2]"
1 113 ALA 2.650 0.135 18 0 "[ . 1 . 2]"
1 114 GLY 2.192 0.135 18 0 "[ . 1 . 2]"
1 115 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 THR 0.017 0.010 17 0 "[ . 1 . 2]"
1 120 PRO 0.426 0.063 19 0 "[ . 1 . 2]"
1 121 ILE 2.282 0.680 8 4 "[ * . + 1 -. *]"
1 122 ARG 1.177 0.063 19 0 "[ . 1 . 2]"
1 123 ALA 0.030 0.013 1 0 "[ . 1 . 2]"
1 124 LYS 0.048 0.036 13 0 "[ . 1 . 2]"
1 125 GLY 0.709 0.083 13 0 "[ . 1 . 2]"
1 126 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 TYR 0.755 0.083 13 0 "[ . 1 . 2]"
1 131 ILE 0.002 0.001 9 0 "[ . 1 . 2]"
1 132 SER 1.560 0.095 19 0 "[ . 1 . 2]"
1 133 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 1.924 0.095 19 0 "[ . 1 . 2]"
1 135 ALA 0.353 0.021 18 0 "[ . 1 . 2]"
1 136 LEU 0.543 0.033 4 0 "[ . 1 . 2]"
1 137 LEU 1.948 0.054 4 0 "[ . 1 . 2]"
1 138 SER 1.721 0.046 5 0 "[ . 1 . 2]"
1 139 THR 2.853 0.057 14 0 "[ . 1 . 2]"
1 140 THR 1.951 0.057 14 0 "[ . 1 . 2]"
1 141 LEU 0.949 0.029 12 0 "[ . 1 . 2]"
1 142 ASN 1.672 0.048 7 0 "[ . 1 . 2]"
1 143 LEU 1.041 0.048 7 0 "[ . 1 . 2]"
1 144 CYS 0.235 0.020 18 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 56 VAL H 1 56 VAL HA 2.700 2.700 7.700 2.916 2.908 2.920 . 0 0 "[ . 1 . 2]" 1
2 1 58 LEU H 1 58 LEU HA 2.700 2.700 7.700 2.825 2.817 2.830 . 0 0 "[ . 1 . 2]" 1
3 1 65 LYS H 1 65 LYS HA 2.700 2.700 7.700 2.904 2.877 2.932 . 0 0 "[ . 1 . 2]" 1
4 1 66 GLN H 1 66 GLN HA 2.700 2.700 7.700 2.923 2.908 2.941 . 0 0 "[ . 1 . 2]" 1
5 1 67 ASP H 1 67 ASP HA 2.700 2.700 7.700 2.934 2.925 2.943 . 0 0 "[ . 1 . 2]" 1
6 1 68 ILE H 1 68 ILE HA 2.700 2.700 7.700 2.966 2.961 2.967 . 0 0 "[ . 1 . 2]" 1
7 1 69 SER H 1 69 SER HA 2.700 2.700 7.700 2.919 2.913 2.933 . 0 0 "[ . 1 . 2]" 1
8 1 70 GLU H 1 70 GLU HA 2.700 2.700 7.700 2.771 2.767 2.776 . 0 0 "[ . 1 . 2]" 1
9 1 71 ALA H 1 71 ALA HA 2.700 2.700 7.700 2.805 2.801 2.809 . 0 0 "[ . 1 . 2]" 1
10 1 72 ASN H 1 72 ASN HA 2.700 2.700 7.700 2.853 2.835 2.868 . 0 0 "[ . 1 . 2]" 1
11 1 73 LEU H 1 73 LEU HA 2.700 2.700 7.700 2.874 2.855 2.917 . 0 0 "[ . 1 . 2]" 1
12 1 74 ALA H 1 74 ALA HA 0.000 . 2.700 2.283 2.277 2.290 . 0 0 "[ . 1 . 2]" 1
13 1 75 TYR H 1 75 TYR HA 2.700 2.700 7.700 2.793 2.783 2.803 . 0 0 "[ . 1 . 2]" 1
14 1 76 LEU H 1 76 LEU HA 2.700 2.700 7.700 2.807 2.786 2.819 . 0 0 "[ . 1 . 2]" 1
15 1 77 TRP H 1 77 TRP HA 2.700 2.700 7.700 2.775 2.772 2.780 . 0 0 "[ . 1 . 2]" 1
16 1 80 THR H 1 80 THR HA 2.700 2.700 7.700 2.843 2.834 2.849 . 0 0 "[ . 1 . 2]" 1
17 1 81 VAL H 1 81 VAL HA 2.700 2.700 7.700 2.847 2.839 2.859 . 0 0 "[ . 1 . 2]" 1
18 1 82 ASP H 1 82 ASP HA 2.700 2.700 7.700 2.822 2.815 2.829 . 0 0 "[ . 1 . 2]" 1
19 1 83 HIS H 1 83 HIS HA 2.700 2.700 7.700 2.916 2.900 2.923 . 0 0 "[ . 1 . 2]" 1
20 1 84 GLY H 1 84 GLY HA3 2.700 2.700 7.700 2.750 2.745 2.753 . 0 0 "[ . 1 . 2]" 1
21 1 84 GLY H 1 84 GLY HA2 2.700 2.700 7.700 2.847 2.846 2.849 . 0 0 "[ . 1 . 2]" 1
22 1 85 THR H 1 85 THR HA 2.700 2.700 7.700 2.961 2.959 2.964 . 0 0 "[ . 1 . 2]" 1
23 1 86 ILE H 1 86 ILE HA 2.700 2.700 7.700 2.961 2.958 2.964 . 0 0 "[ . 1 . 2]" 1
24 1 87 GLU H 1 87 GLU HA 2.700 2.700 7.700 2.933 2.921 2.950 . 0 0 "[ . 1 . 2]" 1
25 1 88 CYS H 1 88 CYS HA 2.700 2.700 7.700 2.955 2.947 2.960 . 0 0 "[ . 1 . 2]" 1
26 1 89 LEU H 1 89 LEU HA 2.700 2.700 7.700 2.907 2.896 2.923 . 0 0 "[ . 1 . 2]" 1
27 1 91 SER H 1 91 SER HA 2.700 2.700 7.700 2.885 2.872 2.891 . 0 0 "[ . 1 . 2]" 1
28 1 93 ASN H 1 93 ASN HA 2.700 2.700 7.700 2.961 2.950 2.966 . 0 0 "[ . 1 . 2]" 1
29 1 95 VAL H 1 95 VAL HA 2.700 2.700 7.700 2.959 2.956 2.962 . 0 0 "[ . 1 . 2]" 1
30 1 96 PHE H 1 96 PHE HA 2.700 2.700 7.700 2.957 2.955 2.958 . 0 0 "[ . 1 . 2]" 1
31 1 97 VAL H 1 97 VAL HA 2.700 2.700 7.700 2.957 2.953 2.962 . 0 0 "[ . 1 . 2]" 1
32 1 98 ALA H 1 98 ALA HA 2.700 2.700 7.700 2.959 2.956 2.961 . 0 0 "[ . 1 . 2]" 1
33 1 100 ASP H 1 100 ASP HA 2.700 2.700 7.700 2.831 2.828 2.834 . 0 0 "[ . 1 . 2]" 1
34 1 101 GLY H 1 101 GLY HA2 0.000 . 2.700 2.359 2.357 2.361 . 0 0 "[ . 1 . 2]" 1
35 1 102 THR H 1 102 THR HA 2.700 2.700 7.700 2.938 2.937 2.939 . 0 0 "[ . 1 . 2]" 1
36 1 103 THR H 1 103 THR HA 2.700 2.700 7.700 2.956 2.952 2.959 . 0 0 "[ . 1 . 2]" 1
37 1 104 TYR H 1 104 TYR HA 2.700 2.700 7.700 2.955 2.953 2.956 . 0 0 "[ . 1 . 2]" 1
38 1 105 ALA H 1 105 ALA HA 2.700 2.700 7.700 2.913 2.911 2.917 . 0 0 "[ . 1 . 2]" 1
39 1 106 LEU H 1 106 LEU HA 2.700 2.700 7.700 2.912 2.901 2.920 . 0 0 "[ . 1 . 2]" 1
40 1 107 ASN H 1 107 ASN HA 2.700 2.700 7.700 2.965 2.959 2.977 . 0 0 "[ . 1 . 2]" 1
41 1 109 ARG H 1 109 ARG HA 2.700 2.700 7.700 2.827 2.820 2.833 . 0 0 "[ . 1 . 2]" 1
42 1 110 ALA H 1 110 ALA HA 2.700 2.700 7.700 2.800 2.779 2.807 . 0 0 "[ . 1 . 2]" 1
43 1 111 GLU H 1 111 GLU HA 2.700 2.700 7.700 2.821 2.814 2.836 . 0 0 "[ . 1 . 2]" 1
44 1 112 LYS H 1 112 LYS HA 2.700 2.700 7.700 2.802 2.795 2.833 . 0 0 "[ . 1 . 2]" 1
45 1 113 ALA H 1 113 ALA HA 2.700 2.700 7.700 2.858 2.842 2.878 . 0 0 "[ . 1 . 2]" 1
46 1 114 GLY H 1 114 GLY HA3 2.700 2.700 7.700 2.847 2.844 2.853 . 0 0 "[ . 1 . 2]" 1
47 1 114 GLY H 1 114 GLY HA2 0.000 . 2.700 2.275 2.271 2.277 . 0 0 "[ . 1 . 2]" 1
48 1 115 HIS H 1 115 HIS HA 2.700 2.700 7.700 2.907 2.889 2.929 . 0 0 "[ . 1 . 2]" 1
49 1 118 ILE H 1 118 ILE HA 2.700 2.700 7.700 2.817 2.805 2.830 . 0 0 "[ . 1 . 2]" 1
50 1 119 THR H 1 119 THR HA 2.700 2.700 7.700 2.709 2.690 2.726 0.010 17 0 "[ . 1 . 2]" 1
51 1 121 ILE H 1 121 ILE HA 2.700 2.700 7.700 2.937 2.932 2.941 . 0 0 "[ . 1 . 2]" 1
52 1 122 ARG H 1 122 ARG HA 2.700 2.700 7.700 2.875 2.860 2.882 . 0 0 "[ . 1 . 2]" 1
53 1 123 ALA H 1 123 ALA HA 2.700 2.700 7.700 2.897 2.871 2.933 . 0 0 "[ . 1 . 2]" 1
54 1 124 LYS H 1 124 LYS HA 2.700 2.700 7.700 2.925 2.894 2.949 . 0 0 "[ . 1 . 2]" 1
55 1 125 GLY H 1 125 GLY HA3 0.000 . 2.700 2.414 2.385 2.685 . 0 0 "[ . 1 . 2]" 1
56 1 125 GLY H 1 125 GLY HA2 2.700 2.700 7.700 2.945 2.906 2.953 . 0 0 "[ . 1 . 2]" 1
57 1 131 ILE H 1 131 ILE HA 2.700 2.700 7.700 2.882 2.864 2.909 . 0 0 "[ . 1 . 2]" 1
58 1 133 LEU H 1 133 LEU HA 2.700 2.700 7.700 2.931 2.925 2.941 . 0 0 "[ . 1 . 2]" 1
59 1 134 GLY H 1 134 GLY HA3 0.000 . 2.700 2.306 2.303 2.309 . 0 0 "[ . 1 . 2]" 1
60 1 134 GLY H 1 134 GLY HA2 2.700 2.700 7.700 2.741 2.739 2.747 . 0 0 "[ . 1 . 2]" 1
61 1 136 LEU H 1 136 LEU HA 2.700 2.700 7.700 2.810 2.807 2.813 . 0 0 "[ . 1 . 2]" 1
62 1 137 LEU H 1 137 LEU HA 2.700 2.700 7.700 2.812 2.809 2.815 . 0 0 "[ . 1 . 2]" 1
63 1 138 SER H 1 138 SER HA 2.700 2.700 7.700 2.806 2.802 2.810 . 0 0 "[ . 1 . 2]" 1
64 1 139 THR H 1 139 THR HA 2.700 2.700 7.700 2.818 2.814 2.822 . 0 0 "[ . 1 . 2]" 1
65 1 140 THR H 1 140 THR HA 2.700 2.700 7.700 2.827 2.823 2.830 . 0 0 "[ . 1 . 2]" 1
66 1 141 LEU H 1 141 LEU HA 2.700 2.700 7.700 2.810 2.807 2.813 . 0 0 "[ . 1 . 2]" 1
67 1 142 ASN H 1 142 ASN HA 2.700 2.700 7.700 2.803 2.801 2.806 . 0 0 "[ . 1 . 2]" 1
68 1 143 LEU H 1 143 LEU HA 2.700 2.700 7.700 2.822 2.816 2.829 . 0 0 "[ . 1 . 2]" 1
69 1 144 CYS H 1 144 CYS HA 2.700 2.700 7.700 2.799 2.794 2.809 . 0 0 "[ . 1 . 2]" 1
70 1 56 VAL HA 1 57 PRO HD3 0.000 . 5.000 2.183 2.160 2.272 . 0 0 "[ . 1 . 2]" 1
71 1 56 VAL HA 1 57 PRO HD2 0.000 . 2.700 2.710 2.591 2.729 0.029 20 0 "[ . 1 . 2]" 1
72 1 55 PRO HA 1 56 VAL H 0.000 . 2.700 2.250 2.168 2.405 . 0 0 "[ . 1 . 2]" 1
73 1 56 VAL H 1 57 PRO HD3 3.500 3.500 8.500 4.833 4.610 4.863 . 0 0 "[ . 1 . 2]" 1
74 1 56 VAL H 1 57 PRO HD2 3.500 3.500 8.500 5.246 5.238 5.281 . 0 0 "[ . 1 . 2]" 1
75 1 58 LEU HA 1 59 PRO QD 0.000 . 3.500 2.144 2.041 2.211 . 0 0 "[ . 1 . 2]" 1
76 1 57 PRO HA 1 58 LEU H 0.000 . 2.700 2.333 2.200 2.390 . 0 0 "[ . 1 . 2]" 1
77 1 59 PRO HA 1 60 SER H 0.000 . 2.700 2.293 2.245 2.409 . 0 0 "[ . 1 . 2]" 1
78 1 64 ASN HA 1 65 LYS H 2.700 2.700 7.700 3.152 3.078 3.234 . 0 0 "[ . 1 . 2]" 1
79 1 65 LYS HA 1 66 GLN H 0.000 . 2.700 2.240 2.176 2.362 . 0 0 "[ . 1 . 2]" 1
80 1 66 GLN H 1 67 ASP H 3.500 3.500 8.500 4.360 4.328 4.399 . 0 0 "[ . 1 . 2]" 1
81 1 66 GLN HA 1 67 ASP H 0.000 . 2.700 2.268 2.231 2.294 . 0 0 "[ . 1 . 2]" 1
82 1 67 ASP H 1 68 ILE H 3.500 3.500 8.500 4.489 4.461 4.504 . 0 0 "[ . 1 . 2]" 1
83 1 67 ASP HA 1 68 ILE H 0.000 . 2.700 2.192 2.180 2.205 . 0 0 "[ . 1 . 2]" 1
84 1 68 ILE H 1 69 SER H 3.500 3.500 8.500 4.478 4.451 4.494 . 0 0 "[ . 1 . 2]" 1
85 1 68 ILE HA 1 69 SER H 0.000 . 2.700 2.294 2.248 2.316 . 0 0 "[ . 1 . 2]" 1
86 1 69 SER H 1 70 GLU H 3.500 3.500 8.500 4.409 4.398 4.427 . 0 0 "[ . 1 . 2]" 1
87 1 69 SER HA 1 70 GLU H 0.000 . 2.700 2.347 2.315 2.403 . 0 0 "[ . 1 . 2]" 1
88 1 70 GLU HA 1 71 ALA H 3.200 3.200 5.900 3.535 3.530 3.541 . 0 0 "[ . 1 . 2]" 1
89 1 71 ALA HA 1 72 ASN H 2.700 2.700 7.700 3.551 3.542 3.557 . 0 0 "[ . 1 . 2]" 1
90 1 72 ASN H 1 73 LEU H 0.000 . 2.700 2.639 2.591 2.700 . 4 0 "[ . 1 . 2]" 1
91 1 72 ASN HA 1 73 LEU H 2.700 2.700 7.700 3.562 3.550 3.577 . 0 0 "[ . 1 . 2]" 1
92 1 73 LEU H 1 74 ALA H 0.000 . 2.700 2.598 2.510 2.631 . 0 0 "[ . 1 . 2]" 1
93 1 73 LEU HA 1 74 ALA H 2.700 2.700 7.700 3.464 3.400 3.500 . 0 0 "[ . 1 . 2]" 1
94 1 74 ALA H 1 75 TYR H 3.500 3.500 8.500 4.687 4.677 4.698 . 0 0 "[ . 1 . 2]" 1
95 1 74 ALA HA 1 75 TYR H 2.700 2.700 7.700 3.109 3.007 3.206 . 0 0 "[ . 1 . 2]" 1
96 1 75 TYR H 1 76 LEU H 0.000 . 2.700 2.764 2.757 2.769 0.069 6 0 "[ . 1 . 2]" 1
97 1 75 TYR HA 1 76 LEU H 3.200 3.200 8.200 3.464 3.449 3.486 . 0 0 "[ . 1 . 2]" 1
98 1 76 LEU H 1 77 TRP H 0.000 . 2.700 2.749 2.739 2.773 0.073 10 0 "[ . 1 . 2]" 1
99 1 76 LEU HA 1 77 TRP H 2.700 2.700 7.700 3.476 3.449 3.490 . 0 0 "[ . 1 . 2]" 1
100 1 77 TRP H 1 78 PRO HD3 3.500 3.500 8.500 4.424 4.368 4.571 . 0 0 "[ . 1 . 2]" 1
101 1 77 TRP H 1 78 PRO HD2 3.500 3.500 8.500 5.232 5.147 5.342 . 0 0 "[ . 1 . 2]" 1
102 1 77 TRP HA 1 78 PRO HD3 0.000 . 2.700 2.241 2.139 2.318 . 0 0 "[ . 1 . 2]" 1
103 1 77 TRP HA 1 78 PRO HD2 0.000 . 3.200 2.604 2.521 2.724 . 0 0 "[ . 1 . 2]" 1
104 1 79 LEU HA 1 80 THR H 0.000 . 2.700 2.185 2.177 2.201 . 0 0 "[ . 1 . 2]" 1
105 1 79 LEU H 1 80 THR H 3.500 3.500 8.500 4.562 4.538 4.571 . 0 0 "[ . 1 . 2]" 1
106 1 80 THR H 1 81 VAL H 0.000 . 2.700 2.609 2.592 2.644 . 0 0 "[ . 1 . 2]" 1
107 1 80 THR HA 1 81 VAL H 2.700 2.700 7.700 3.565 3.561 3.567 . 0 0 "[ . 1 . 2]" 1
108 1 81 VAL H 1 82 ASP H 3.500 3.500 8.500 4.598 4.588 4.605 . 0 0 "[ . 1 . 2]" 1
109 1 81 VAL HA 1 82 ASP H 0.000 . 2.700 2.209 2.203 2.218 . 0 0 "[ . 1 . 2]" 1
110 1 82 ASP H 1 83 HIS H 0.000 . 2.700 2.715 2.709 2.725 0.025 1 0 "[ . 1 . 2]" 1
111 1 82 ASP HA 1 83 HIS H 3.200 3.200 8.200 3.531 3.528 3.536 . 0 0 "[ . 1 . 2]" 1
112 1 83 HIS H 1 84 GLY H 3.500 3.500 8.500 4.392 4.381 4.398 . 0 0 "[ . 1 . 2]" 1
113 1 83 HIS HA 1 84 GLY H 0.000 . 2.700 2.479 2.456 2.526 . 0 0 "[ . 1 . 2]" 1
114 1 84 GLY H 1 85 THR H 3.500 3.500 8.500 4.300 4.296 4.304 . 0 0 "[ . 1 . 2]" 1
115 1 84 GLY HA3 1 85 THR H 0.000 . 3.200 2.788 2.783 2.793 . 0 0 "[ . 1 . 2]" 1
116 1 84 GLY HA2 1 85 THR H 0.000 . 2.700 2.375 2.366 2.384 . 0 0 "[ . 1 . 2]" 1
117 1 85 THR H 1 86 ILE H 3.500 3.500 8.500 4.498 4.486 4.504 . 0 0 "[ . 1 . 2]" 1
118 1 85 THR HA 1 86 ILE H 0.000 . 2.700 2.221 2.205 2.232 . 0 0 "[ . 1 . 2]" 1
119 1 86 ILE H 1 87 GLU H 3.500 3.500 8.500 4.480 4.465 4.492 . 0 0 "[ . 1 . 2]" 1
120 1 86 ILE HA 1 87 GLU H 0.000 . 2.700 2.198 2.188 2.217 . 0 0 "[ . 1 . 2]" 1
121 1 87 GLU H 1 88 CYS H 3.500 3.500 8.500 4.321 4.287 4.354 . 0 0 "[ . 1 . 2]" 1
122 1 87 GLU HA 1 88 CYS H 0.000 . 2.700 2.162 2.133 2.190 . 0 0 "[ . 1 . 2]" 1
123 1 88 CYS H 1 89 LEU H 3.500 3.500 8.500 4.375 4.327 4.419 . 0 0 "[ . 1 . 2]" 1
124 1 88 CYS HA 1 89 LEU H 0.000 . 2.700 2.165 2.155 2.179 . 0 0 "[ . 1 . 2]" 1
125 1 89 LEU H 1 90 PRO HD3 3.500 3.500 8.500 5.065 4.924 5.355 . 0 0 "[ . 1 . 2]" 1
126 1 89 LEU H 1 90 PRO HD2 3.500 3.500 8.500 5.048 4.803 5.189 . 0 0 "[ . 1 . 2]" 1
127 1 90 PRO HA 1 91 SER H 3.200 3.200 8.200 3.468 3.446 3.482 . 0 0 "[ . 1 . 2]" 1
128 1 91 SER H 1 92 ASP H 0.000 . 2.700 2.718 2.708 2.743 0.043 14 0 "[ . 1 . 2]" 1
129 1 92 ASP HA 1 93 ASN H 2.700 2.700 7.700 2.808 2.694 2.929 0.006 18 0 "[ . 1 . 2]" 1
130 1 92 ASP H 1 93 ASN H 0.000 . 2.700 2.606 2.551 2.720 0.020 14 0 "[ . 1 . 2]" 1
131 1 94 ALA HA 1 95 VAL H 0.000 . 2.700 2.162 2.155 2.169 . 0 0 "[ . 1 . 2]" 1
132 1 95 VAL H 1 96 PHE H 3.500 3.500 8.500 4.426 4.417 4.430 . 0 0 "[ . 1 . 2]" 1
133 1 95 VAL HA 1 96 PHE H 0.000 . 2.700 2.269 2.242 2.288 . 0 0 "[ . 1 . 2]" 1
134 1 96 PHE H 1 97 VAL H 3.500 3.500 8.500 4.373 4.363 4.392 . 0 0 "[ . 1 . 2]" 1
135 1 96 PHE HA 1 97 VAL H 0.000 . 2.700 2.186 2.176 2.195 . 0 0 "[ . 1 . 2]" 1
136 1 97 VAL H 1 98 ALA H 3.500 3.500 8.500 4.436 4.425 4.445 . 0 0 "[ . 1 . 2]" 1
137 1 98 ALA HA 1 99 PRO HD3 0.000 . 2.700 2.241 2.230 2.256 . 0 0 "[ . 1 . 2]" 1
138 1 98 ALA HA 1 99 PRO HD2 0.000 . 2.700 2.724 2.718 2.736 0.036 1 0 "[ . 1 . 2]" 1
139 1 97 VAL HA 1 98 ALA H 0.000 . 2.700 2.182 2.167 2.187 . 0 0 "[ . 1 . 2]" 1
140 1 98 ALA H 1 99 PRO HD3 3.500 3.500 8.500 5.000 4.990 5.011 . 0 0 "[ . 1 . 2]" 1
141 1 98 ALA H 1 99 PRO HD2 3.500 3.500 8.500 5.091 5.075 5.104 . 0 0 "[ . 1 . 2]" 1
142 1 99 PRO HA 1 100 ASP H 3.200 3.200 8.200 3.497 3.491 3.499 . 0 0 "[ . 1 . 2]" 1
143 1 99 PRO HD3 1 100 ASP H 3.500 3.500 8.500 4.173 4.163 4.185 . 0 0 "[ . 1 . 2]" 1
144 1 99 PRO HD2 1 100 ASP H 0.000 . 3.500 3.134 3.120 3.158 . 0 0 "[ . 1 . 2]" 1
145 1 100 ASP H 1 101 GLY H 0.000 . 2.700 2.743 2.738 2.746 0.046 4 0 "[ . 1 . 2]" 1
146 1 100 ASP HA 1 101 GLY H 3.200 3.200 8.200 3.415 3.410 3.419 . 0 0 "[ . 1 . 2]" 1
147 1 101 GLY H 1 102 THR H 0.000 . 2.700 2.390 2.382 2.399 . 0 0 "[ . 1 . 2]" 1
148 1 101 GLY HA3 1 102 THR H 3.200 3.200 8.200 3.391 3.387 3.396 . 0 0 "[ . 1 . 2]" 1
149 1 101 GLY HA2 1 102 THR H 2.700 2.700 7.700 3.207 3.197 3.219 . 0 0 "[ . 1 . 2]" 1
150 1 102 THR H 1 103 THR H 3.500 3.500 8.500 4.500 4.493 4.506 . 0 0 "[ . 1 . 2]" 1
151 1 102 THR HA 1 103 THR H 0.000 . 2.700 2.216 2.208 2.222 . 0 0 "[ . 1 . 2]" 1
152 1 103 THR H 1 104 TYR H 3.500 3.500 8.500 4.424 4.407 4.441 . 0 0 "[ . 1 . 2]" 1
153 1 103 THR HA 1 104 TYR H 0.000 . 2.700 2.120 2.113 2.135 . 0 0 "[ . 1 . 2]" 1
154 1 104 TYR H 1 105 ALA H 3.500 3.500 8.500 4.476 4.467 4.489 . 0 0 "[ . 1 . 2]" 1
155 1 105 ALA H 1 106 LEU H 3.500 3.500 8.500 4.509 4.492 4.525 . 0 0 "[ . 1 . 2]" 1
156 1 104 TYR HA 1 105 ALA H 0.000 . 2.700 2.302 2.290 2.322 . 0 0 "[ . 1 . 2]" 1
157 1 106 LEU H 1 107 ASN H 0.000 . 2.700 2.394 2.372 2.433 . 0 0 "[ . 1 . 2]" 1
158 1 105 ALA HA 1 106 LEU H 0.000 . 2.700 2.165 2.152 2.173 . 0 0 "[ . 1 . 2]" 1
159 1 106 LEU HA 1 107 ASN H 2.700 2.700 7.700 3.556 3.541 3.562 . 0 0 "[ . 1 . 2]" 1
160 1 108 ASP HA 1 109 ARG H 3.200 3.200 8.200 3.545 3.517 3.561 . 0 0 "[ . 1 . 2]" 1
161 1 109 ARG H 1 110 ALA H 0.000 . 2.700 2.730 2.720 2.754 0.054 18 0 "[ . 1 . 2]" 1
162 1 109 ARG HA 1 110 ALA H 3.200 3.200 8.200 3.564 3.560 3.567 . 0 0 "[ . 1 . 2]" 1
163 1 110 ALA HA 1 111 GLU H 3.200 3.200 8.200 3.552 3.544 3.573 . 0 0 "[ . 1 . 2]" 1
164 1 111 GLU H 1 112 LYS H 0.000 . 2.700 2.721 2.711 2.768 0.068 17 0 "[ . 1 . 2]" 1
165 1 111 GLU HA 1 112 LYS H 3.200 3.200 8.200 3.553 3.548 3.574 . 0 0 "[ . 1 . 2]" 1
166 1 112 LYS H 1 113 ALA H 0.000 . 2.700 2.723 2.698 2.731 0.031 12 0 "[ . 1 . 2]" 1
167 1 112 LYS HA 1 113 ALA H 3.200 3.200 8.200 3.512 3.464 3.520 . 0 0 "[ . 1 . 2]" 1
168 1 113 ALA H 1 114 GLY H 0.000 . 2.700 2.809 2.792 2.835 0.135 18 0 "[ . 1 . 2]" 1
169 1 113 ALA HA 1 114 GLY H 3.200 3.200 8.200 3.267 3.195 3.316 0.005 11 0 "[ . 1 . 2]" 1
170 1 114 GLY H 1 115 HIS H 0.000 . 2.700 2.649 2.641 2.661 . 0 0 "[ . 1 . 2]" 1
171 1 114 GLY HA3 1 115 HIS H 3.200 3.200 8.200 3.506 3.498 3.514 . 0 0 "[ . 1 . 2]" 1
172 1 114 GLY HA2 1 115 HIS H 2.700 2.700 7.700 3.093 3.083 3.105 . 0 0 "[ . 1 . 2]" 1
173 1 115 HIS H 1 116 PRO HD3 3.500 3.500 8.500 4.871 4.409 5.107 . 0 0 "[ . 1 . 2]" 1
174 1 115 HIS H 1 116 PRO HD2 3.500 3.500 8.500 5.110 4.805 5.392 . 0 0 "[ . 1 . 2]" 1
175 1 117 PRO HA 1 118 ILE H 0.000 . 2.700 2.326 2.287 2.345 . 0 0 "[ . 1 . 2]" 1
176 1 117 PRO HD3 1 118 ILE H 3.500 3.500 8.500 5.697 5.621 5.733 . 0 0 "[ . 1 . 2]" 1
177 1 117 PRO HD2 1 118 ILE H 3.500 3.500 8.500 5.517 5.472 5.623 . 0 0 "[ . 1 . 2]" 1
178 1 118 ILE H 1 119 THR H 0.000 . 3.200 2.826 2.755 2.861 . 0 0 "[ . 1 . 2]" 1
179 1 118 ILE HA 1 119 THR H 3.200 3.200 8.200 3.409 3.385 3.450 . 0 0 "[ . 1 . 2]" 1
180 1 119 THR H 1 120 PRO QD 0.000 . 4.000 2.626 2.605 2.645 . 0 0 "[ . 1 . 2]" 1
181 1 120 PRO HA 1 121 ILE H 3.200 3.200 8.200 3.527 3.507 3.534 . 0 0 "[ . 1 . 2]" 1
182 1 120 PRO QD 1 121 ILE H 0.000 . 4.000 2.540 2.461 2.595 . 0 0 "[ . 1 . 2]" 1
183 1 121 ILE H 1 122 ARG H 0.000 . 2.700 2.528 2.442 2.618 . 0 0 "[ . 1 . 2]" 1
184 1 121 ILE HA 1 122 ARG H 2.700 2.700 7.700 3.254 3.214 3.311 . 0 0 "[ . 1 . 2]" 1
185 1 122 ARG H 1 123 ALA H 3.500 3.500 8.500 4.606 4.578 4.644 . 0 0 "[ . 1 . 2]" 1
186 1 122 ARG HA 1 123 ALA H 0.000 . 2.700 2.226 2.195 2.272 . 0 0 "[ . 1 . 2]" 1
187 1 123 ALA H 1 124 LYS H 3.500 3.500 8.500 4.577 4.546 4.614 . 0 0 "[ . 1 . 2]" 1
188 1 123 ALA HA 1 124 LYS H 0.000 . 2.700 2.206 2.165 2.272 . 0 0 "[ . 1 . 2]" 1
189 1 124 LYS H 1 125 GLY H 3.500 3.500 8.500 4.564 4.522 4.608 . 0 0 "[ . 1 . 2]" 1
190 1 124 LYS HA 1 125 GLY H 0.000 . 2.700 2.236 2.186 2.326 . 0 0 "[ . 1 . 2]" 1
191 1 125 GLY H 1 126 SER H 3.500 3.500 8.500 4.533 4.367 4.565 . 0 0 "[ . 1 . 2]" 1
192 1 130 TYR HA 1 131 ILE H 0.000 . 2.700 2.323 2.240 2.381 . 0 0 "[ . 1 . 2]" 1
193 1 132 SER HA 1 133 LEU H 0.000 . 2.700 2.142 2.128 2.155 . 0 0 "[ . 1 . 2]" 1
194 1 133 LEU H 1 134 GLY H 0.000 . 2.700 2.612 2.527 2.639 . 0 0 "[ . 1 . 2]" 1
195 1 133 LEU HA 1 134 GLY H 2.700 2.700 7.700 3.223 3.193 3.256 . 0 0 "[ . 1 . 2]" 1
196 1 135 ALA HA 1 136 LEU H 3.200 3.200 8.200 3.561 3.557 3.565 . 0 0 "[ . 1 . 2]" 1
197 1 136 LEU H 1 137 LEU H 0.000 . 2.700 2.711 2.709 2.713 0.013 12 0 "[ . 1 . 2]" 1
198 1 136 LEU HA 1 137 LEU H 3.200 3.200 8.200 3.545 3.541 3.548 . 0 0 "[ . 1 . 2]" 1
199 1 137 LEU H 1 138 SER H 0.000 . 2.700 2.727 2.721 2.740 0.040 19 0 "[ . 1 . 2]" 1
200 1 137 LEU HA 1 138 SER H 3.200 3.200 8.200 3.551 3.548 3.555 . 0 0 "[ . 1 . 2]" 1
201 1 138 SER H 1 139 THR H 0.000 . 2.700 2.738 2.727 2.746 0.046 5 0 "[ . 1 . 2]" 1
202 1 138 SER HA 1 139 THR H 3.200 3.200 8.200 3.552 3.546 3.557 . 0 0 "[ . 1 . 2]" 1
203 1 139 THR H 1 140 THR H 0.000 . 2.700 2.749 2.740 2.757 0.057 14 0 "[ . 1 . 2]" 1
204 1 139 THR HA 1 140 THR H 3.200 3.200 8.200 3.562 3.557 3.566 . 0 0 "[ . 1 . 2]" 1
205 1 140 THR H 1 141 LEU H 0.000 . 2.700 2.708 2.701 2.718 0.018 16 0 "[ . 1 . 2]" 1
206 1 140 THR HA 1 141 LEU H 3.200 3.200 8.200 3.552 3.549 3.558 . 0 0 "[ . 1 . 2]" 1
207 1 141 LEU H 1 142 ASN H 0.000 . 2.700 2.721 2.715 2.727 0.027 11 0 "[ . 1 . 2]" 1
208 1 141 LEU HA 1 142 ASN H 3.200 3.200 8.200 3.548 3.545 3.551 . 0 0 "[ . 1 . 2]" 1
209 1 142 ASN H 1 143 LEU H 0.000 . 2.700 2.740 2.733 2.748 0.048 7 0 "[ . 1 . 2]" 1
210 1 142 ASN HA 1 143 LEU H 3.200 3.200 8.200 3.547 3.543 3.552 . 0 0 "[ . 1 . 2]" 1
211 1 143 LEU H 1 144 CYS H 0.000 . 2.700 2.712 2.703 2.720 0.020 18 0 "[ . 1 . 2]" 1
212 1 143 LEU HA 1 144 CYS H 3.200 3.200 8.200 3.540 3.533 3.545 . 0 0 "[ . 1 . 2]" 1
213 1 63 SER HA 1 65 LYS H 0.000 . 4.000 3.791 3.750 3.870 . 0 0 "[ . 1 . 2]" 1
214 1 68 ILE MD 1 72 ASN HB3 0.000 . 4.800 3.654 2.908 4.022 . 0 0 "[ . 1 . 2]" 1
215 1 68 ILE MD 1 72 ASN HB2 0.000 . 4.300 2.967 2.278 3.605 . 0 0 "[ . 1 . 2]" 1
216 1 69 SER H 1 72 ASN HB2 0.000 . 3.500 3.022 2.589 3.238 . 0 0 "[ . 1 . 2]" 1
217 1 69 SER H 1 72 ASN H 0.000 . 4.000 3.682 3.389 3.821 . 0 0 "[ . 1 . 2]" 1
218 1 69 SER H 1 73 LEU MD1 0.000 . 5.300 3.283 2.821 4.441 . 0 0 "[ . 1 . 2]" 1
219 1 69 SER H 1 73 LEU MD2 0.000 . 5.800 4.817 4.605 4.884 . 0 0 "[ . 1 . 2]" 1
220 1 73 LEU MD2 1 77 TRP HE3 0.000 . 4.800 2.334 1.890 4.042 . 0 0 "[ . 1 . 2]" 1
221 1 70 GLU HA 1 73 LEU H 0.000 . 4.000 3.573 3.439 3.647 . 0 0 "[ . 1 . 2]" 1
222 1 77 TRP HE1 1 79 LEU MD1 0.000 . 4.800 4.056 4.030 4.076 . 0 0 "[ . 1 . 2]" 1
223 1 77 TRP HE1 1 79 LEU H 0.000 . 4.000 4.003 3.817 4.026 0.026 1 0 "[ . 1 . 2]" 1
224 1 73 LEU QB 1 77 TRP H 0.000 . 4.300 2.884 2.755 3.039 . 0 0 "[ . 1 . 2]" 1
225 1 77 TRP HZ2 1 81 VAL MG2 0.000 . 4.000 3.209 3.089 3.306 . 0 0 "[ . 1 . 2]" 1
226 1 79 LEU MD1 1 81 VAL MG2 0.000 . 4.300 2.563 2.420 2.653 . 0 0 "[ . 1 . 2]" 1
227 1 77 TRP HE1 1 81 VAL H 0.000 . 4.500 4.551 4.542 4.561 0.061 14 0 "[ . 1 . 2]" 1
228 1 79 LEU HA 1 81 VAL H 0.000 . 4.000 4.024 4.010 4.038 0.038 20 0 "[ . 1 . 2]" 1
229 1 79 LEU QB 1 81 VAL H 0.000 . 3.500 2.689 2.630 2.712 . 0 0 "[ . 1 . 2]" 1
230 1 79 LEU MD1 1 81 VAL H 0.000 . 5.300 4.420 4.354 4.439 . 0 0 "[ . 1 . 2]" 1
231 1 81 VAL HB 1 83 HIS H 0.000 . 3.200 3.214 3.206 3.219 0.019 4 0 "[ . 1 . 2]" 1
232 1 89 LEU QB 1 93 ASN H 0.000 . 4.000 3.081 2.851 3.495 . 0 0 "[ . 1 . 2]" 1
233 1 89 LEU H 1 93 ASN H 0.000 . 4.000 3.225 3.097 3.423 . 0 0 "[ . 1 . 2]" 1
234 1 98 ALA H 1 102 THR HB 0.000 . 4.000 4.037 4.031 4.041 0.041 18 0 "[ . 1 . 2]" 1
235 1 98 ALA H 1 102 THR H 0.000 . 4.000 3.553 3.534 3.570 . 0 0 "[ . 1 . 2]" 1
236 1 98 ALA MB 1 100 ASP H 0.000 . 4.000 2.508 2.467 2.557 . 0 0 "[ . 1 . 2]" 1
237 1 97 VAL MG1 1 101 GLY HA2 0.000 . 4.000 3.371 3.361 3.378 . 0 0 "[ . 1 . 2]" 1
238 1 97 VAL MG1 1 101 GLY H 0.000 . 4.300 3.609 3.602 3.625 . 0 0 "[ . 1 . 2]" 1
239 1 98 ALA MB 1 101 GLY H 0.000 . 4.800 3.742 3.728 3.758 . 0 0 "[ . 1 . 2]" 1
240 1 99 PRO HA 1 101 GLY H 0.000 . 3.600 3.648 3.645 3.654 0.054 20 0 "[ . 1 . 2]" 1
241 1 98 ALA MB 1 102 THR HB 0.000 . 4.300 3.190 3.148 3.226 . 0 0 "[ . 1 . 2]" 1
242 1 102 THR HB 1 104 TYR QE 0.000 . 3.200 2.689 2.595 2.778 . 0 0 "[ . 1 . 2]" 1
243 1 102 THR MG 1 104 TYR QE 0.000 . 4.000 3.006 2.914 3.036 . 0 0 "[ . 1 . 2]" 1
244 1 98 ALA MB 1 102 THR H 0.000 . 4.000 3.341 3.334 3.351 . 0 0 "[ . 1 . 2]" 1
245 1 102 THR H 1 104 TYR QE 0.000 . 4.500 4.233 4.169 4.332 . 0 0 "[ . 1 . 2]" 1
246 1 107 ASN H 1 110 ALA MB 0.000 . 4.300 2.747 2.601 2.845 . 0 0 "[ . 1 . 2]" 1
247 1 108 ASP HA 1 111 GLU QB 0.000 . 3.500 2.729 2.570 2.847 . 0 0 "[ . 1 . 2]" 1
248 1 107 ASN H 1 110 ALA H 0.000 . 4.000 3.815 3.614 3.953 . 0 0 "[ . 1 . 2]" 1
249 1 108 ASP HA 1 111 GLU H 0.000 . 3.600 3.444 3.297 3.546 . 0 0 "[ . 1 . 2]" 1
250 1 108 ASP HA 1 112 LYS H 0.000 . 4.500 4.322 4.158 4.402 . 0 0 "[ . 1 . 2]" 1
251 1 109 ARG HA 1 112 LYS H 0.000 . 3.600 3.280 3.157 3.545 . 0 0 "[ . 1 . 2]" 1
252 1 113 ALA MB 1 115 HIS HD2 0.000 . 4.300 2.585 1.979 3.186 . 0 0 "[ . 1 . 2]" 1
253 1 110 ALA HA 1 113 ALA H 0.000 . 4.000 3.267 3.149 3.536 . 0 0 "[ . 1 . 2]" 1
254 1 112 LYS HA 1 114 GLY H 0.000 . 3.600 3.497 3.271 3.539 . 0 0 "[ . 1 . 2]" 1
255 1 111 GLU HA 1 115 HIS H 0.000 . 3.600 3.206 3.056 3.352 . 0 0 "[ . 1 . 2]" 1
256 1 117 PRO HA 1 119 THR H 0.000 . 4.000 3.945 3.867 3.972 . 0 0 "[ . 1 . 2]" 1
257 1 119 THR HA 1 122 ARG H 0.000 . 3.600 3.241 3.041 3.514 . 0 0 "[ . 1 . 2]" 1
258 1 120 PRO HA 1 122 ARG H 0.000 . 4.000 4.021 4.000 4.063 0.063 19 0 "[ . 1 . 2]" 1
259 1 131 ILE MG 1 133 LEU MD2 0.000 . 5.600 3.830 3.687 3.887 . 0 0 "[ . 1 . 2]" 1
260 1 134 GLY HA2 1 137 LEU QB 0.000 . 3.500 2.780 2.715 2.827 . 0 0 "[ . 1 . 2]" 1
261 1 132 SER HA 1 134 GLY H 0.000 . 3.500 3.578 3.553 3.595 0.095 19 0 "[ . 1 . 2]" 1
262 1 132 SER QB 1 134 GLY H 0.000 . 4.000 2.226 2.187 2.334 . 0 0 "[ . 1 . 2]" 1
263 1 134 GLY HA2 1 137 LEU H 0.000 . 3.600 3.618 3.607 3.627 0.027 13 0 "[ . 1 . 2]" 1
264 1 138 SER HA 1 141 LEU HB2 0.000 . 3.500 2.847 2.800 2.926 . 0 0 "[ . 1 . 2]" 1
265 1 138 SER HA 1 141 LEU MD1 0.000 . 4.300 2.376 2.286 2.464 . 0 0 "[ . 1 . 2]" 1
266 1 134 GLY HA2 1 138 SER H 0.000 . 4.500 4.298 4.231 4.382 . 0 0 "[ . 1 . 2]" 1
267 1 135 ALA HA 1 138 SER H 0.000 . 3.600 3.576 3.528 3.605 0.005 10 0 "[ . 1 . 2]" 1
268 1 139 THR HA 1 142 ASN QB 0.000 . 4.000 3.056 2.988 3.128 . 0 0 "[ . 1 . 2]" 1
269 1 135 ALA HA 1 139 THR H 0.000 . 4.500 4.516 4.511 4.521 0.021 18 0 "[ . 1 . 2]" 1
270 1 136 LEU HA 1 139 THR H 0.000 . 3.600 3.616 3.599 3.633 0.033 4 0 "[ . 1 . 2]" 1
271 1 140 THR HA 1 143 LEU MD1 0.000 . 4.000 2.314 2.164 2.491 . 0 0 "[ . 1 . 2]" 1
272 1 136 LEU HA 1 140 THR H 0.000 . 4.500 4.443 4.399 4.484 . 0 0 "[ . 1 . 2]" 1
273 1 137 LEU HA 1 140 THR H 0.000 . 3.600 3.641 3.633 3.654 0.054 4 0 "[ . 1 . 2]" 1
274 1 137 LEU HA 1 141 LEU H 0.000 . 4.500 4.210 4.154 4.254 . 0 0 "[ . 1 . 2]" 1
275 1 138 SER HA 1 141 LEU H 0.000 . 3.600 3.619 3.612 3.629 0.029 12 0 "[ . 1 . 2]" 1
276 1 138 SER HA 1 142 ASN H 0.000 . 4.500 4.322 4.287 4.342 . 0 0 "[ . 1 . 2]" 1
277 1 139 THR HA 1 142 ASN H 0.000 . 3.600 3.623 3.615 3.629 0.029 13 0 "[ . 1 . 2]" 1
278 1 140 THR HA 1 143 LEU H 0.000 . 3.600 3.447 3.377 3.506 . 0 0 "[ . 1 . 2]" 1
279 1 141 LEU HA 1 144 CYS H 0.000 . 3.600 3.239 3.176 3.335 . 0 0 "[ . 1 . 2]" 1
280 1 56 VAL H 1 71 ALA MB 0.000 . 4.800 4.009 3.970 4.023 . 0 0 "[ . 1 . 2]" 1
281 1 56 VAL H 1 72 ASN HA 0.000 . 3.600 2.638 2.274 2.879 . 0 0 "[ . 1 . 2]" 1
282 1 56 VAL H 1 72 ASN HB3 0.000 . 4.500 4.543 4.524 4.554 0.054 11 0 "[ . 1 . 2]" 1
283 1 58 LEU MD2 1 72 ASN HB3 0.000 . 4.800 2.716 2.224 3.398 . 0 0 "[ . 1 . 2]" 1
284 1 65 LYS HA 1 143 LEU MD1 0.000 . 4.300 2.375 2.069 2.731 . 0 0 "[ . 1 . 2]" 1
285 1 65 LYS H 1 143 LEU MD1 0.000 . 4.800 3.584 3.325 3.930 . 0 0 "[ . 1 . 2]" 1
286 1 65 LYS H 1 143 LEU MD2 0.000 . 4.300 3.131 2.693 3.594 . 0 0 "[ . 1 . 2]" 1
287 1 66 GLN HE21 1 143 LEU MD2 0.000 . 5.300 4.281 3.814 4.420 . 0 0 "[ . 1 . 2]" 1
288 1 58 LEU QB 1 66 GLN HE21 0.000 . 4.300 3.233 3.045 3.417 . 0 0 "[ . 1 . 2]" 1
289 1 58 LEU MD1 1 66 GLN HE21 0.000 . 4.800 4.009 3.999 4.018 . 0 0 "[ . 1 . 2]" 1
290 1 61 PRO QB 1 66 GLN HE21 0.000 . 4.800 2.910 2.343 4.280 . 0 0 "[ . 1 . 2]" 1
291 1 61 PRO HD3 1 66 GLN HE21 0.000 . 4.500 4.054 3.675 4.514 0.014 15 0 "[ . 1 . 2]" 1
292 1 58 LEU QB 1 66 GLN HE22 0.000 . 4.300 2.919 2.579 3.147 . 0 0 "[ . 1 . 2]" 1
293 1 58 LEU MD1 1 66 GLN HE22 0.000 . 4.800 2.837 2.662 3.106 . 0 0 "[ . 1 . 2]" 1
294 1 61 PRO QB 1 66 GLN HE22 0.000 . 5.300 3.359 2.925 4.567 . 0 0 "[ . 1 . 2]" 1
295 1 61 PRO HD3 1 66 GLN HE22 0.000 . 5.000 4.576 4.204 5.006 0.006 15 0 "[ . 1 . 2]" 1
296 1 67 ASP HA 1 85 THR HA 0.000 . 2.700 2.599 2.562 2.648 . 0 0 "[ . 1 . 2]" 1
297 1 67 ASP HA 1 85 THR MG 0.000 . 3.500 2.156 2.108 2.202 . 0 0 "[ . 1 . 2]" 1
298 1 67 ASP H 1 85 THR MG 0.000 . 5.300 3.998 3.910 4.049 . 0 0 "[ . 1 . 2]" 1
299 1 68 ILE MG 1 77 TRP HZ3 0.000 . 3.500 2.900 2.669 2.922 . 0 0 "[ . 1 . 2]" 1
300 1 68 ILE H 1 84 GLY H 0.000 . 4.000 3.906 3.858 3.936 . 0 0 "[ . 1 . 2]" 1
301 1 68 ILE H 1 85 THR HA 0.000 . 3.600 2.656 2.601 2.738 . 0 0 "[ . 1 . 2]" 1
302 1 68 ILE H 1 85 THR MG 0.000 . 4.300 3.632 3.627 3.639 . 0 0 "[ . 1 . 2]" 1
303 1 69 SER H 1 77 TRP HZ3 0.000 . 4.000 3.700 3.464 4.013 0.013 14 0 "[ . 1 . 2]" 1
304 1 70 GLU H 1 83 HIS HA 0.000 . 3.600 2.965 2.914 3.025 . 0 0 "[ . 1 . 2]" 1
305 1 70 GLU H 1 83 HIS HB3 0.000 . 4.000 3.145 2.894 3.266 . 0 0 "[ . 1 . 2]" 1
306 1 70 GLU H 1 83 HIS HB2 0.000 . 4.500 4.202 3.908 4.390 . 0 0 "[ . 1 . 2]" 1
307 1 56 VAL HB 1 72 ASN HD21 0.000 . 3.500 2.768 2.454 2.934 . 0 0 "[ . 1 . 2]" 1
308 1 56 VAL HB 1 72 ASN HD22 0.000 . 4.000 3.097 2.928 3.256 . 0 0 "[ . 1 . 2]" 1
309 1 56 VAL MG1 1 72 ASN HD22 0.000 . 4.800 3.722 3.434 4.001 . 0 0 "[ . 1 . 2]" 1
310 1 70 GLU HA 1 77 TRP HE1 0.000 . 4.500 4.543 4.517 4.567 0.067 16 0 "[ . 1 . 2]" 1
311 1 70 GLU QB 1 77 TRP HE1 0.000 . 4.800 3.070 3.001 3.150 . 0 0 "[ . 1 . 2]" 1
312 1 70 GLU QG 1 77 TRP HE1 0.000 . 5.300 4.752 4.743 4.760 . 0 0 "[ . 1 . 2]" 1
313 1 77 TRP HE1 1 82 ASP HA 0.000 . 2.700 2.823 2.809 2.834 0.134 14 0 "[ . 1 . 2]" 1
314 1 79 LEU HA 1 122 ARG HA 0.000 . 2.700 2.738 2.716 2.753 0.053 12 0 "[ . 1 . 2]" 1
315 1 80 THR H 1 121 ILE HB 0.000 . 3.500 3.204 3.068 3.341 . 0 0 "[ . 1 . 2]" 1
316 1 80 THR H 1 122 ARG HA 0.000 . 4.000 3.614 3.545 3.691 . 0 0 "[ . 1 . 2]" 1
317 1 80 THR H 1 123 ALA H 0.000 . 4.000 3.933 3.795 4.013 0.013 1 0 "[ . 1 . 2]" 1
318 1 81 VAL MG1 1 98 ALA MB 0.000 . 4.300 2.648 2.562 2.740 . 0 0 "[ . 1 . 2]" 1
319 1 81 VAL MG2 1 96 PHE HE2 0.000 . 3.200 2.538 2.409 2.660 . 0 0 "[ . 1 . 2]" 1
320 1 81 VAL MG2 1 96 PHE HZ 0.000 . 3.500 2.911 2.831 2.927 . 0 0 "[ . 1 . 2]" 1
321 1 81 VAL H 1 121 ILE HB 0.000 . 4.000 2.773 2.679 2.989 . 0 0 "[ . 1 . 2]" 1
322 1 81 VAL H 1 121 ILE MG 0.000 . 4.300 3.623 3.616 3.630 . 0 0 "[ . 1 . 2]" 1
323 1 82 ASP H 1 99 PRO QG 0.000 . 4.800 4.277 4.228 4.288 . 0 0 "[ . 1 . 2]" 1
324 1 69 SER HA 1 83 HIS HA 0.000 . 2.700 2.292 2.204 2.348 . 0 0 "[ . 1 . 2]" 1
325 1 83 HIS H 1 99 PRO HD3 0.000 . 4.000 4.064 4.050 4.077 0.077 16 0 "[ . 1 . 2]" 1
326 1 83 HIS H 1 99 PRO HD2 0.000 . 4.000 3.991 3.908 4.021 0.021 6 0 "[ . 1 . 2]" 1
327 1 83 HIS H 1 99 PRO QG 0.000 . 4.300 3.187 3.158 3.226 . 0 0 "[ . 1 . 2]" 1
328 1 77 TRP HZ2 1 84 GLY HA3 0.000 . 4.000 4.028 4.013 4.041 0.041 9 0 "[ . 1 . 2]" 1
329 1 84 GLY HA3 1 96 PHE HZ 0.000 . 4.000 2.356 2.326 2.382 . 0 0 "[ . 1 . 2]" 1
330 1 68 ILE MG 1 84 GLY H 0.000 . 5.300 3.104 3.014 3.302 . 0 0 "[ . 1 . 2]" 1
331 1 69 SER HA 1 84 GLY H 0.000 . 3.600 3.081 3.023 3.129 . 0 0 "[ . 1 . 2]" 1
332 1 69 SER QB 1 84 GLY H 0.000 . 4.800 3.914 3.850 3.979 . 0 0 "[ . 1 . 2]" 1
333 1 84 GLY H 1 96 PHE HE1 0.000 . 4.000 4.049 4.035 4.062 0.062 7 0 "[ . 1 . 2]" 1
334 1 84 GLY H 1 96 PHE HZ 0.000 . 4.000 4.044 4.032 4.057 0.057 9 0 "[ . 1 . 2]" 1
335 1 85 THR HB 1 97 VAL HB 0.000 . 2.700 2.600 2.568 2.665 . 0 0 "[ . 1 . 2]" 1
336 1 85 THR HB 1 97 VAL MG1 0.000 . 4.300 3.631 3.626 3.635 . 0 0 "[ . 1 . 2]" 1
337 1 85 THR H 1 96 PHE HZ 0.000 . 5.000 4.945 4.889 4.991 . 0 0 "[ . 1 . 2]" 1
338 1 85 THR H 1 97 VAL H 0.000 . 3.600 3.448 3.396 3.494 . 0 0 "[ . 1 . 2]" 1
339 1 85 THR H 1 98 ALA HA 0.000 . 3.600 3.639 3.633 3.649 0.049 15 0 "[ . 1 . 2]" 1
340 1 86 ILE HA 1 96 PHE HA 0.000 . 2.700 2.703 2.686 2.712 0.012 8 0 "[ . 1 . 2]" 1
341 1 86 ILE MD 1 139 THR HB 0.000 . 4.800 2.784 2.763 2.819 . 0 0 "[ . 1 . 2]" 1
342 1 86 ILE MD 1 140 THR HA 0.000 . 3.500 2.597 2.475 2.811 . 0 0 "[ . 1 . 2]" 1
343 1 66 GLN QG 1 86 ILE MD 0.000 . 4.800 3.603 3.593 3.615 . 0 0 "[ . 1 . 2]" 1
344 1 86 ILE MD 1 96 PHE HD1 0.000 . 5.800 4.865 4.845 4.878 . 0 0 "[ . 1 . 2]" 1
345 1 86 ILE MG 1 96 PHE HD1 0.000 . 4.800 1.909 1.890 1.958 . 0 0 "[ . 1 . 2]" 1
346 1 67 ASP HA 1 86 ILE H 0.000 . 3.600 3.384 3.289 3.520 . 0 0 "[ . 1 . 2]" 1
347 1 65 LYS HA 1 87 GLU HA 0.000 . 2.700 2.593 2.503 2.712 0.012 14 0 "[ . 1 . 2]" 1
348 1 87 GLU H 1 95 VAL MG2 0.000 . 4.800 3.343 3.209 3.536 . 0 0 "[ . 1 . 2]" 1
349 1 88 CYS H 1 143 LEU MD1 0.000 . 4.800 3.991 3.864 4.026 . 0 0 "[ . 1 . 2]" 1
350 1 65 LYS HA 1 88 CYS H 0.000 . 3.600 3.640 3.621 3.678 0.078 15 0 "[ . 1 . 2]" 1
351 1 95 VAL HA 1 105 ALA HA 0.000 . 2.700 2.721 2.714 2.726 0.026 1 0 "[ . 1 . 2]" 1
352 1 95 VAL MG1 1 110 ALA MB 0.000 . 4.300 1.940 1.770 2.117 . 0 0 "[ . 1 . 2]" 1
353 1 95 VAL MG1 1 105 ALA HA 0.000 . 4.000 2.236 2.136 2.402 . 0 0 "[ . 1 . 2]" 1
354 1 86 ILE MG 1 96 PHE HA 0.000 . 4.000 3.106 3.025 3.219 . 0 0 "[ . 1 . 2]" 1
355 1 96 PHE HD1 1 106 LEU MD2 0.000 . 4.300 3.543 3.469 3.588 . 0 0 "[ . 1 . 2]" 1
356 1 96 PHE HD1 1 136 LEU MD1 0.000 . 5.300 2.818 2.683 2.954 . 0 0 "[ . 1 . 2]" 1
357 1 96 PHE HD1 1 136 LEU MD2 0.000 . 4.800 2.444 2.322 2.544 . 0 0 "[ . 1 . 2]" 1
358 1 79 LEU MD1 1 96 PHE HD1 0.000 . 5.800 4.302 4.223 4.443 . 0 0 "[ . 1 . 2]" 1
359 1 96 PHE HD2 1 121 ILE MD 0.000 . 4.800 3.063 2.970 3.154 . 0 0 "[ . 1 . 2]" 1
360 1 79 LEU MD1 1 96 PHE HD2 0.000 . 5.800 3.688 3.591 3.824 . 0 0 "[ . 1 . 2]" 1
361 1 79 LEU MD1 1 96 PHE HE1 0.000 . 4.800 3.374 3.285 3.470 . 0 0 "[ . 1 . 2]" 1
362 1 79 LEU MD1 1 96 PHE HE2 0.000 . 4.800 2.423 2.342 2.561 . 0 0 "[ . 1 . 2]" 1
363 1 96 PHE H 1 104 TYR H 0.000 . 3.600 3.281 3.213 3.354 . 0 0 "[ . 1 . 2]" 1
364 1 96 PHE H 1 105 ALA HA 0.000 . 3.600 3.612 3.578 3.629 0.029 20 0 "[ . 1 . 2]" 1
365 1 85 THR HB 1 97 VAL H 0.000 . 4.000 4.004 3.968 4.018 0.018 14 0 "[ . 1 . 2]" 1
366 1 86 ILE HA 1 97 VAL H 0.000 . 3.600 3.279 3.228 3.340 . 0 0 "[ . 1 . 2]" 1
367 1 86 ILE MG 1 97 VAL H 0.000 . 4.800 4.010 3.991 4.025 . 0 0 "[ . 1 . 2]" 1
368 1 84 GLY HA2 1 98 ALA HA 0.000 . 2.700 2.747 2.736 2.764 0.064 6 0 "[ . 1 . 2]" 1
369 1 98 ALA MB 1 104 TYR QE 0.000 . 3.500 2.022 1.952 2.063 . 0 0 "[ . 1 . 2]" 1
370 1 98 ALA H 1 103 THR HA 0.000 . 3.600 3.685 3.676 3.691 0.091 13 0 "[ . 1 . 2]" 1
371 1 81 VAL MG1 1 100 ASP H 0.000 . 5.300 4.363 4.251 4.413 . 0 0 "[ . 1 . 2]" 1
372 1 97 VAL HA 1 103 THR HA 0.000 . 2.700 2.488 2.440 2.534 . 0 0 "[ . 1 . 2]" 1
373 1 104 TYR QE 1 120 PRO HD2 0.000 . 4.000 3.006 2.819 3.163 . 0 0 "[ . 1 . 2]" 1
374 1 104 TYR QE 1 120 PRO QG 0.000 . 4.000 2.559 2.356 2.879 . 0 0 "[ . 1 . 2]" 1
375 1 95 VAL HB 1 104 TYR H 0.000 . 4.800 3.758 3.692 3.801 . 0 0 "[ . 1 . 2]" 1
376 1 95 VAL MG1 1 104 TYR H 0.000 . 5.800 4.843 4.837 4.847 . 0 0 "[ . 1 . 2]" 1
377 1 95 VAL MG2 1 104 TYR H 0.000 . 5.800 4.777 4.685 4.836 . 0 0 "[ . 1 . 2]" 1
378 1 97 VAL HA 1 104 TYR H 0.000 . 3.600 3.297 3.243 3.365 . 0 0 "[ . 1 . 2]" 1
379 1 105 ALA MB 1 111 GLU QG 0.000 . 4.300 2.472 1.948 3.223 . 0 0 "[ . 1 . 2]" 1
380 1 105 ALA MB 1 115 HIS QB 0.000 . 4.300 2.015 1.982 2.130 . 0 0 "[ . 1 . 2]" 1
381 1 105 ALA MB 1 115 HIS HD2 0.000 . 5.300 3.933 3.461 4.237 . 0 0 "[ . 1 . 2]" 1
382 1 105 ALA MB 1 117 PRO HA 0.000 . 4.300 2.995 2.592 3.360 . 0 0 "[ . 1 . 2]" 1
383 1 106 LEU MD1 1 136 LEU MD2 0.000 . 5.100 3.108 2.931 3.358 . 0 0 "[ . 1 . 2]" 1
384 1 106 LEU MD1 1 137 LEU HA 0.000 . 4.000 3.222 3.097 3.334 . 0 0 "[ . 1 . 2]" 1
385 1 106 LEU MD1 1 140 THR HB 0.000 . 4.300 2.531 2.403 2.708 . 0 0 "[ . 1 . 2]" 1
386 1 95 VAL HA 1 106 LEU MD1 0.000 . 4.000 2.791 2.733 2.882 . 0 0 "[ . 1 . 2]" 1
387 1 96 PHE HA 1 106 LEU MD1 0.000 . 5.300 2.804 2.670 2.901 . 0 0 "[ . 1 . 2]" 1
388 1 96 PHE HD1 1 106 LEU MD1 0.000 . 4.300 3.154 3.034 3.250 . 0 0 "[ . 1 . 2]" 1
389 1 106 LEU MD2 1 118 ILE HB 0.000 . 5.300 4.278 4.186 4.408 . 0 0 "[ . 1 . 2]" 1
390 1 106 LEU MD2 1 118 ILE MD 0.000 . 4.800 1.793 1.762 1.840 . 0 0 "[ . 1 . 2]" 1
391 1 106 LEU MD2 1 137 LEU HA 0.000 . 4.800 2.697 2.524 2.878 . 0 0 "[ . 1 . 2]" 1
392 1 96 PHE HB2 1 106 LEU MD2 0.000 . 4.000 2.074 2.065 2.134 . 0 0 "[ . 1 . 2]" 1
393 1 94 ALA MB 1 106 LEU H 0.000 . 4.800 3.989 3.818 4.011 . 0 0 "[ . 1 . 2]" 1
394 1 95 VAL HA 1 106 LEU H 0.000 . 4.000 2.103 2.060 2.140 . 0 0 "[ . 1 . 2]" 1
395 1 94 ALA MB 1 107 ASN H 0.000 . 4.300 3.104 2.877 3.227 . 0 0 "[ . 1 . 2]" 1
396 1 95 VAL HA 1 107 ASN H 0.000 . 4.000 4.068 4.056 4.079 0.079 5 0 "[ . 1 . 2]" 1
397 1 95 VAL MG1 1 107 ASN H 0.000 . 5.300 4.251 4.085 4.411 . 0 0 "[ . 1 . 2]" 1
398 1 110 ALA MB 1 115 HIS HD2 0.000 . 4.800 3.199 2.655 3.712 . 0 0 "[ . 1 . 2]" 1
399 1 105 ALA HA 1 110 ALA MB 0.000 . 4.300 2.280 2.024 2.463 . 0 0 "[ . 1 . 2]" 1
400 1 93 ASN HA 1 110 ALA H 0.000 . 4.000 4.041 4.019 4.075 0.075 4 0 "[ . 1 . 2]" 1
401 1 105 ALA MB 1 111 GLU H 0.000 . 4.000 2.598 2.307 2.816 . 0 0 "[ . 1 . 2]" 1
402 1 105 ALA MB 1 115 HIS H 0.000 . 4.300 3.553 3.446 3.599 . 0 0 "[ . 1 . 2]" 1
403 1 79 LEU MD1 1 118 ILE MD 0.000 . 4.300 3.008 2.994 3.023 . 0 0 "[ . 1 . 2]" 1
404 1 96 PHE HD1 1 118 ILE MD 0.000 . 4.800 4.042 4.029 4.059 . 0 0 "[ . 1 . 2]" 1
405 1 79 LEU MD1 1 118 ILE MG 0.000 . 4.300 2.613 2.487 2.714 . 0 0 "[ . 1 . 2]" 1
406 1 81 VAL MG1 1 121 ILE MD 0.000 . 4.800 2.365 2.205 2.559 . 0 0 "[ . 1 . 2]" 1
407 1 81 VAL MG2 1 121 ILE MD 0.000 . 4.800 2.057 1.945 2.296 . 0 0 "[ . 1 . 2]" 1
408 1 96 PHE HE2 1 121 ILE MD 0.000 . 4.000 2.297 2.178 2.412 . 0 0 "[ . 1 . 2]" 1
409 1 98 ALA MB 1 121 ILE MD 0.000 . 4.800 2.713 2.551 2.885 . 0 0 "[ . 1 . 2]" 1
410 1 104 TYR HD2 1 121 ILE MD 0.000 . 4.000 3.606 3.358 4.680 0.680 8 4 "[ * . + 1 -. *]" 1
411 1 104 TYR QE 1 121 ILE MD 0.000 . 4.300 2.990 2.920 3.101 . 0 0 "[ . 1 . 2]" 1
412 1 81 VAL MG1 1 121 ILE MG 0.000 . 5.100 1.975 1.891 2.239 . 0 0 "[ . 1 . 2]" 1
413 1 104 TYR QE 1 121 ILE H 0.000 . 4.500 4.445 4.419 4.466 . 0 0 "[ . 1 . 2]" 1
414 1 79 LEU MD2 1 122 ARG H 0.000 . 4.800 4.019 4.011 4.029 . 0 0 "[ . 1 . 2]" 1
415 1 123 ALA H 1 131 ILE MD 0.000 . 5.300 3.916 3.788 4.055 . 0 0 "[ . 1 . 2]" 1
416 1 123 ALA H 1 131 ILE MG 0.000 . 5.800 4.844 4.689 4.863 . 0 0 "[ . 1 . 2]" 1
417 1 79 LEU HA 1 123 ALA H 0.000 . 3.600 3.135 3.003 3.258 . 0 0 "[ . 1 . 2]" 1
418 1 79 LEU MD2 1 123 ALA H 0.000 . 4.800 3.575 3.437 3.741 . 0 0 "[ . 1 . 2]" 1
419 1 125 GLY HA3 1 131 ILE MD 0.000 . 5.600 3.533 2.734 3.855 . 0 0 "[ . 1 . 2]" 1
420 1 125 GLY H 1 130 TYR HA 0.000 . 3.600 2.669 2.263 2.984 . 0 0 "[ . 1 . 2]" 1
421 1 125 GLY H 1 130 TYR HD1 0.000 . 4.500 4.535 4.513 4.583 0.083 13 0 "[ . 1 . 2]" 1
422 1 125 GLY H 1 131 ILE MD 0.000 . 4.800 4.025 4.012 4.034 . 0 0 "[ . 1 . 2]" 1
423 1 125 GLY H 1 131 ILE H 0.000 . 4.000 3.840 3.521 4.001 0.001 9 0 "[ . 1 . 2]" 1
424 1 124 LYS HA 1 130 TYR HA 0.000 . 2.700 2.362 2.100 2.736 0.036 13 0 "[ . 1 . 2]" 1
425 1 125 GLY HA2 1 131 ILE MD 0.000 . 4.300 3.227 2.513 3.593 . 0 0 "[ . 1 . 2]" 1
426 1 78 PRO HA 1 131 ILE MD 0.000 . 4.000 2.802 2.292 3.231 . 0 0 "[ . 1 . 2]" 1
427 1 78 PRO HA 1 131 ILE MG 0.000 . 4.000 2.462 2.071 2.912 . 0 0 "[ . 1 . 2]" 1
428 1 78 PRO HB3 1 131 ILE MG 0.000 . 4.000 1.959 1.928 2.075 . 0 0 "[ . 1 . 2]" 1
429 1 123 ALA MB 1 131 ILE H 0.000 . 4.800 4.028 4.014 4.050 . 0 0 "[ . 1 . 2]" 1
430 1 124 LYS HA 1 131 ILE H 0.000 . 3.600 3.279 3.080 3.542 . 0 0 "[ . 1 . 2]" 1
431 1 78 PRO QG 1 133 LEU HA 0.000 . 4.800 2.513 2.280 2.808 . 0 0 "[ . 1 . 2]" 1
432 1 78 PRO QB 1 133 LEU MD2 0.000 . 4.000 2.195 1.983 2.544 . 0 0 "[ . 1 . 2]" 1
433 1 78 PRO QD 1 133 LEU MD2 0.000 . 4.800 3.517 3.440 3.563 . 0 0 "[ . 1 . 2]" 1
434 1 118 ILE MG 1 136 LEU MD2 0.000 . 5.100 3.504 3.343 3.548 . 0 0 "[ . 1 . 2]" 1
435 1 79 LEU MD1 1 136 LEU MD2 0.000 . 4.300 2.215 2.005 2.532 . 0 0 "[ . 1 . 2]" 1
436 1 86 ILE MG 1 136 LEU MD2 0.000 . 5.600 3.124 2.929 3.335 . 0 0 "[ . 1 . 2]" 1
437 1 106 LEU QB 1 137 LEU MD1 0.000 . 4.800 1.929 1.902 1.950 . 0 0 "[ . 1 . 2]" 1
438 1 107 ASN HB3 1 137 LEU MD1 0.000 . 4.300 2.119 2.021 2.323 . 0 0 "[ . 1 . 2]" 1
439 1 107 ASN HB2 1 137 LEU MD1 0.000 . 4.800 3.194 3.002 3.363 . 0 0 "[ . 1 . 2]" 1
440 1 107 ASN HB3 1 137 LEU MD2 0.000 . 4.800 3.647 3.438 3.870 . 0 0 "[ . 1 . 2]" 1
441 1 107 ASN HB2 1 137 LEU MD2 0.000 . 4.800 3.952 3.810 4.007 . 0 0 "[ . 1 . 2]" 1
442 1 86 ILE MD 1 139 THR H 0.000 . 5.800 4.842 4.835 4.855 . 0 0 "[ . 1 . 2]" 1
443 1 86 ILE HB 1 140 THR MG 0.000 . 4.000 2.628 2.352 2.805 . 0 0 "[ . 1 . 2]" 1
444 1 87 GLU HA 1 140 THR MG 0.000 . 4.800 4.021 4.004 4.034 . 0 0 "[ . 1 . 2]" 1
445 1 94 ALA HA 1 140 THR MG 0.000 . 4.300 2.723 2.461 3.074 . 0 0 "[ . 1 . 2]" 1
446 1 86 ILE MD 1 140 THR H 0.000 . 4.300 3.387 3.347 3.435 . 0 0 "[ . 1 . 2]" 1
447 1 66 GLN QB 1 143 LEU MD1 0.000 . 5.100 2.261 2.054 2.397 . 0 0 "[ . 1 . 2]" 1
448 1 66 GLN H 1 143 LEU MD1 0.000 . 4.300 2.696 2.522 2.836 . 0 0 "[ . 1 . 2]" 1
449 1 86 ILE HB 1 143 LEU MD1 0.000 . 4.300 3.166 2.926 3.340 . 0 0 "[ . 1 . 2]" 1
450 1 86 ILE MD 1 143 LEU MD1 0.000 . 4.300 1.973 1.815 2.087 . 0 0 "[ . 1 . 2]" 1
451 1 87 GLU HA 1 143 LEU MD1 0.000 . 4.300 3.457 3.349 3.589 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.161
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0040
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 TRP 0.008 0.005 12 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.008 0.005 12 0 "[ . 1 . 2]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 62 THR O 1 65 LYS H 2.200 . 2.600 2.116 2.050 2.221 . 0 0 "[ . 1 . 2]" 2
2 1 59 PRO O 1 66 GLN HE21 2.200 . 2.600 2.472 2.387 2.500 . 0 0 "[ . 1 . 2]" 2
3 1 66 GLN H 1 86 ILE O 2.200 . 2.600 2.240 2.191 2.294 . 0 0 "[ . 1 . 2]" 2
4 1 68 ILE H 1 84 GLY O 2.200 . 2.600 2.300 2.271 2.356 . 0 0 "[ . 1 . 2]" 2
5 1 70 GLU H 1 82 ASP O 2.200 . 2.600 2.096 2.055 2.130 . 0 0 "[ . 1 . 2]" 2
6 1 56 VAL O 1 72 ASN HD21 2.200 . 2.600 2.093 2.055 2.160 . 0 0 "[ . 1 . 2]" 2
7 1 69 SER O 1 73 LEU H 2.200 . 2.600 2.419 2.370 2.453 . 0 0 "[ . 1 . 2]" 2
8 1 70 GLU O 1 74 ALA H 2.200 . 2.600 2.009 1.977 2.084 . 0 0 "[ . 1 . 2]" 2
9 1 77 TRP HE1 1 81 VAL O 2.200 . 2.600 1.827 1.795 1.859 0.005 12 0 "[ . 1 . 2]" 2
10 1 74 ALA O 1 77 TRP H 2.200 . 2.600 2.015 1.993 2.044 . 0 0 "[ . 1 . 2]" 2
11 1 80 THR H 1 121 ILE O 2.200 . 2.600 1.924 1.893 1.973 . 0 0 "[ . 1 . 2]" 2
12 1 68 ILE O 1 84 GLY H 2.200 . 2.600 2.143 2.119 2.166 . 0 0 "[ . 1 . 2]" 2
13 1 85 THR H 1 97 VAL O 2.200 . 2.600 1.919 1.912 1.928 . 0 0 "[ . 1 . 2]" 2
14 1 66 GLN O 1 86 ILE H 2.200 . 2.600 2.131 2.111 2.151 . 0 0 "[ . 1 . 2]" 2
15 1 87 GLU H 1 95 VAL O 2.200 . 2.600 2.313 2.267 2.353 . 0 0 "[ . 1 . 2]" 2
16 1 64 ASN O 1 88 CYS H 2.200 . 2.600 2.097 2.008 2.136 . 0 0 "[ . 1 . 2]" 2
17 1 89 LEU H 1 93 ASN O 2.200 . 2.600 2.281 2.215 2.386 . 0 0 "[ . 1 . 2]" 2
18 1 89 LEU O 1 92 ASP H 2.200 . 2.600 2.007 1.960 2.064 . 0 0 "[ . 1 . 2]" 2
19 1 87 GLU O 1 95 VAL H 2.200 . 2.600 2.295 2.261 2.331 . 0 0 "[ . 1 . 2]" 2
20 1 96 PHE H 1 104 TYR O 2.200 . 2.600 1.879 1.857 1.921 . 0 0 "[ . 1 . 2]" 2
21 1 85 THR O 1 97 VAL H 2.200 . 2.600 1.899 1.883 1.919 . 0 0 "[ . 1 . 2]" 2
22 1 98 ALA H 1 102 THR O 2.200 . 2.600 2.220 2.204 2.232 . 0 0 "[ . 1 . 2]" 2
23 1 98 ALA O 1 101 GLY H 2.200 . 2.600 1.908 1.897 1.921 . 0 0 "[ . 1 . 2]" 2
24 1 100 ASP OD1 1 102 THR H 2.200 . 2.600 1.879 1.864 1.894 . 0 0 "[ . 1 . 2]" 2
25 1 100 ASP OD2 1 104 TYR HH 2.200 . 2.600 2.389 2.366 2.416 . 0 0 "[ . 1 . 2]" 2
26 1 96 PHE O 1 104 TYR H 2.200 . 2.600 1.874 1.846 1.908 . 0 0 "[ . 1 . 2]" 2
27 1 105 ALA H 1 116 PRO O 2.200 . 2.600 1.919 1.864 1.966 . 0 0 "[ . 1 . 2]" 2
28 1 94 ALA O 1 106 LEU H 2.200 . 2.600 2.173 2.142 2.215 . 0 0 "[ . 1 . 2]" 2
29 1 94 ALA O 1 107 ASN H 2.200 . 2.600 2.436 2.398 2.524 . 0 0 "[ . 1 . 2]" 2
30 1 92 ASP O 1 109 ARG HE 2.200 . 2.600 2.128 2.032 2.189 . 0 0 "[ . 1 . 2]" 2
31 1 92 ASP O 1 109 ARG HH21 2.200 . 2.600 2.262 2.216 2.365 . 0 0 "[ . 1 . 2]" 2
32 1 107 ASN OD1 1 110 ALA H 2.200 . 2.600 2.033 1.995 2.066 . 0 0 "[ . 1 . 2]" 2
33 1 107 ASN O 1 111 GLU H 2.200 . 2.600 2.337 2.304 2.459 . 0 0 "[ . 1 . 2]" 2
34 1 108 ASP O 1 112 LYS H 2.200 . 2.600 2.055 2.003 2.112 . 0 0 "[ . 1 . 2]" 2
35 1 109 ARG O 1 113 ALA H 2.200 . 2.600 2.233 2.178 2.307 . 0 0 "[ . 1 . 2]" 2
36 1 111 GLU O 1 114 GLY H 2.200 . 2.600 2.007 1.963 2.115 . 0 0 "[ . 1 . 2]" 2
37 1 110 ALA O 1 115 HIS H 2.200 . 2.600 2.420 2.354 2.479 . 0 0 "[ . 1 . 2]" 2
38 1 118 ILE O 1 121 ILE H 2.200 . 2.600 2.078 2.021 2.107 . 0 0 "[ . 1 . 2]" 2
39 1 119 THR O 1 122 ARG H 2.200 . 2.600 1.983 1.920 2.068 . 0 0 "[ . 1 . 2]" 2
40 1 78 PRO O 1 123 ALA H 2.200 . 2.600 2.135 2.079 2.207 . 0 0 "[ . 1 . 2]" 2
41 1 125 GLY H 1 129 GLY O 2.200 . 2.600 2.184 1.833 2.268 . 0 0 "[ . 1 . 2]" 2
42 1 123 ALA O 1 131 ILE H 2.200 . 2.600 2.216 2.104 2.303 . 0 0 "[ . 1 . 2]" 2
43 1 133 LEU O 1 137 LEU H 2.200 . 2.600 2.181 2.146 2.216 . 0 0 "[ . 1 . 2]" 2
44 1 134 GLY O 1 138 SER H 2.200 . 2.600 2.122 2.075 2.183 . 0 0 "[ . 1 . 2]" 2
45 1 135 ALA O 1 139 THR H 2.200 . 2.600 2.306 2.293 2.315 . 0 0 "[ . 1 . 2]" 2
46 1 136 LEU O 1 140 THR H 2.200 . 2.600 2.263 2.222 2.298 . 0 0 "[ . 1 . 2]" 2
47 1 137 LEU O 1 141 LEU H 2.200 . 2.600 2.064 2.029 2.096 . 0 0 "[ . 1 . 2]" 2
48 1 138 SER O 1 142 ASN H 2.200 . 2.600 2.183 2.159 2.204 . 0 0 "[ . 1 . 2]" 2
49 1 139 THR O 1 143 LEU H 2.200 . 2.600 2.352 2.302 2.398 . 0 0 "[ . 1 . 2]" 2
50 1 140 THR O 1 144 CYS H 2.200 . 2.600 2.111 2.073 2.196 . 0 0 "[ . 1 . 2]" 2
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