NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644068 |
6th8   |
34452 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6th8
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 600
_Distance_constraint_stats_list.Viol_count 1545
_Distance_constraint_stats_list.Viol_total 891.294
_Distance_constraint_stats_list.Viol_max 0.392
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0275
_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 3 PRO 0.138 0.014 10 0 "[ . 1 . 2 ]"
1 4 LYS 0.028 0.008 5 0 "[ . 1 . 2 ]"
1 5 VAL 0.285 0.029 17 0 "[ . 1 . 2 ]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 MET 0.227 0.039 18 0 "[ . 1 . 2 ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 GLY 0.163 0.042 5 0 "[ . 1 . 2 ]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 LEU 0.677 0.071 6 0 "[ . 1 . 2 ]"
1 18 ALA 0.734 0.057 8 0 "[ . 1 . 2 ]"
1 19 GLU 0.703 0.035 11 0 "[ . 1 . 2 ]"
1 20 ARG 1.145 0.071 6 0 "[ . 1 . 2 ]"
1 21 LEU 0.952 0.057 8 0 "[ . 1 . 2 ]"
1 22 ARG 1.168 0.042 15 0 "[ . 1 . 2 ]"
1 23 GLY 1.007 0.044 21 0 "[ . 1 . 2 ]"
1 24 GLN 1.603 0.047 7 0 "[ . 1 . 2 ]"
1 25 GLY 1.355 0.047 7 0 "[ . 1 . 2 ]"
1 26 VAL 0.044 0.014 14 0 "[ . 1 . 2 ]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 ASP 0.285 0.029 17 0 "[ . 1 . 2 ]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 LEU 0.227 0.039 18 0 "[ . 1 . 2 ]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 LEU 0.150 0.036 21 0 "[ . 1 . 2 ]"
1 34 ASP 0.029 0.010 12 0 "[ . 1 . 2 ]"
1 35 TYR 0.236 0.036 21 0 "[ . 1 . 2 ]"
1 36 PRO 0.058 0.013 20 0 "[ . 1 . 2 ]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 GLU 0.039 0.009 20 0 "[ . 1 . 2 ]"
1 40 LEU 0.644 0.036 10 0 "[ . 1 . 2 ]"
1 41 LEU 1.318 0.039 17 0 "[ . 1 . 2 ]"
1 42 ALA 1.889 0.057 15 0 "[ . 1 . 2 ]"
1 43 ARG 2.179 0.114 11 0 "[ . 1 . 2 ]"
1 44 VAL 1.698 0.049 12 0 "[ . 1 . 2 ]"
1 45 ARG 1.656 0.057 15 0 "[ . 1 . 2 ]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLU 1.023 0.114 11 0 "[ . 1 . 2 ]"
1 48 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 LEU 0.063 0.015 14 0 "[ . 1 . 2 ]"
1 50 ASN 0.166 0.014 10 0 "[ . 1 . 2 ]"
1 51 GLY 0.997 0.046 12 0 "[ . 1 . 2 ]"
1 52 LEU 0.215 0.032 14 0 "[ . 1 . 2 ]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 VAL 0.274 0.030 3 0 "[ . 1 . 2 ]"
1 55 SER 0.003 0.003 10 0 "[ . 1 . 2 ]"
1 56 SER 0.508 0.048 2 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLY 0.686 0.044 10 0 "[ . 1 . 2 ]"
1 60 LEU 2.671 0.087 4 0 "[ . 1 . 2 ]"
1 61 GLN 1.907 0.087 4 0 "[ . 1 . 2 ]"
1 62 ASN 1.037 0.034 16 0 "[ . 1 . 2 ]"
1 63 LEU 1.284 0.037 3 0 "[ . 1 . 2 ]"
1 64 TYR 3.920 0.062 5 0 "[ . 1 . 2 ]"
1 65 GLN 1.728 0.047 8 0 "[ . 1 . 2 ]"
1 66 LEU 0.661 0.039 3 0 "[ . 1 . 2 ]"
1 67 ALA 0.827 0.043 14 0 "[ . 1 . 2 ]"
1 68 ALA 1.436 0.043 14 0 "[ . 1 . 2 ]"
1 69 ALA 2.690 0.074 8 0 "[ . 1 . 2 ]"
1 70 ASP 3.157 0.074 8 0 "[ . 1 . 2 ]"
1 71 TRP 2.677 0.062 5 0 "[ . 1 . 2 ]"
1 72 PRO 1.264 0.068 4 0 "[ . 1 . 2 ]"
1 73 GLU 0.983 0.054 6 0 "[ . 1 . 2 ]"
1 74 ILE 0.240 0.016 10 0 "[ . 1 . 2 ]"
1 75 GLY 2.650 0.080 8 0 "[ . 1 . 2 ]"
1 76 ARG 1.181 0.069 21 0 "[ . 1 . 2 ]"
1 77 LEU 1.310 0.080 8 0 "[ . 1 . 2 ]"
1 78 PRO 0.195 0.051 18 0 "[ . 1 . 2 ]"
1 79 LEU 0.399 0.392 10 0 "[ . 1 . 2 ]"
1 80 PHE 0.459 0.030 3 0 "[ . 1 . 2 ]"
1 81 VAL 0.614 0.025 10 0 "[ . 1 . 2 ]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 SER 0.029 0.022 10 0 "[ . 1 . 2 ]"
1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 VAL 0.343 0.019 17 0 "[ . 1 . 2 ]"
1 87 ALA 1.304 0.052 10 0 "[ . 1 . 2 ]"
1 88 GLU 1.413 0.052 10 0 "[ . 1 . 2 ]"
1 89 MET 1.276 0.047 18 0 "[ . 1 . 2 ]"
1 90 ALA 1.178 0.069 14 0 "[ . 1 . 2 ]"
1 91 ARG 1.527 0.069 14 0 "[ . 1 . 2 ]"
1 92 GLU 1.353 0.050 14 0 "[ . 1 . 2 ]"
1 93 LEU 1.308 0.050 14 0 "[ . 1 . 2 ]"
1 94 GLY 0.365 0.024 14 0 "[ . 1 . 2 ]"
1 95 ALA 1.461 0.044 10 0 "[ . 1 . 2 ]"
1 96 GLN 1.384 0.068 4 0 "[ . 1 . 2 ]"
1 97 ARG 0.722 0.392 10 0 "[ . 1 . 2 ]"
1 98 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 ILE 0.522 0.024 21 0 "[ . 1 . 2 ]"
1 100 ASP 0.383 0.043 10 0 "[ . 1 . 2 ]"
1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 ARG 0.174 0.043 10 0 "[ . 1 . 2 ]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 108 ALA 0.123 0.008 3 0 "[ . 1 . 2 ]"
1 109 LEU 0.760 0.034 18 0 "[ . 1 . 2 ]"
1 110 LEU 1.660 0.053 10 0 "[ . 1 . 2 ]"
1 111 ALA 1.416 0.053 10 0 "[ . 1 . 2 ]"
1 112 ALA 1.288 0.042 6 0 "[ . 1 . 2 ]"
1 113 LEU 2.151 0.076 13 0 "[ . 1 . 2 ]"
1 114 THR 2.025 0.076 13 0 "[ . 1 . 2 ]"
1 115 SER 0.616 0.037 10 0 "[ . 1 . 2 ]"
1 116 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 117 ALA 0.739 0.042 11 0 "[ . 1 . 2 ]"
1 118 LEU 0.587 0.042 11 0 "[ . 1 . 2 ]"
1 119 GLU 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 1 100 ASP H 1 100 ASP HA 2.700 2.700 7.700 2.934 2.929 2.939 . 0 0 "[ . 1 . 2 ]" 1
2 1 101 CYS H 1 101 CYS HA 2.700 2.700 7.700 2.924 2.849 2.937 . 0 0 "[ . 1 . 2 ]" 1
3 1 102 ARG H 1 102 ARG HA 2.700 2.700 7.700 2.789 2.782 2.793 . 0 0 "[ . 1 . 2 ]" 1
4 1 104 ALA H 1 104 ALA HA 2.700 2.700 7.700 2.877 2.848 2.926 . 0 0 "[ . 1 . 2 ]" 1
5 1 106 ALA H 1 106 ALA HA 2.700 2.700 7.700 2.740 2.738 2.745 . 0 0 "[ . 1 . 2 ]" 1
6 1 108 ALA H 1 108 ALA HA 2.700 2.700 7.700 2.816 2.814 2.819 . 0 0 "[ . 1 . 2 ]" 1
7 1 10 GLY H 1 10 GLY HA3 0.000 . 2.700 2.689 2.634 2.742 0.042 5 0 "[ . 1 . 2 ]" 1
8 1 10 GLY H 1 10 GLY HA2 2.700 2.700 7.700 2.901 2.863 2.929 . 0 0 "[ . 1 . 2 ]" 1
9 1 110 LEU H 1 110 LEU HA 2.700 2.700 7.700 2.803 2.800 2.806 . 0 0 "[ . 1 . 2 ]" 1
10 1 111 ALA H 1 111 ALA HA 2.700 2.700 7.700 2.813 2.810 2.816 . 0 0 "[ . 1 . 2 ]" 1
11 1 113 LEU H 1 113 LEU HA 2.700 2.700 7.700 2.807 2.804 2.810 . 0 0 "[ . 1 . 2 ]" 1
12 1 114 THR H 1 114 THR HA 2.700 2.700 7.700 2.829 2.823 2.838 . 0 0 "[ . 1 . 2 ]" 1
13 1 115 SER H 1 115 SER HA 2.700 2.700 7.700 2.822 2.809 2.840 . 0 0 "[ . 1 . 2 ]" 1
14 1 116 ALA H 1 116 ALA HA 2.700 2.700 7.700 2.811 2.802 2.820 . 0 0 "[ . 1 . 2 ]" 1
15 1 118 LEU H 1 118 LEU HA 2.700 2.700 7.700 2.816 2.793 2.839 . 0 0 "[ . 1 . 2 ]" 1
16 1 119 GLU H 1 119 GLU HA 2.700 2.700 7.700 2.852 2.783 2.970 . 0 0 "[ . 1 . 2 ]" 1
17 1 21 LEU H 1 21 LEU HA 2.700 2.700 7.700 2.826 2.813 2.840 . 0 0 "[ . 1 . 2 ]" 1
18 1 22 ARG H 1 22 ARG HA 2.700 2.700 7.700 2.821 2.810 2.831 . 0 0 "[ . 1 . 2 ]" 1
19 1 23 GLY H 1 23 GLY HA3 0.000 . 2.700 2.299 2.297 2.301 . 0 0 "[ . 1 . 2 ]" 1
20 1 23 GLY H 1 23 GLY HA2 2.700 2.700 7.700 2.802 2.799 2.806 . 0 0 "[ . 1 . 2 ]" 1
21 1 24 GLN HB3 1 24 GLN HE21 3.500 3.500 8.500 4.237 4.199 4.265 . 0 0 "[ . 1 . 2 ]" 1
22 1 24 GLN HB2 1 24 GLN HE21 3.500 3.500 8.500 4.504 4.502 4.507 . 0 0 "[ . 1 . 2 ]" 1
23 1 25 GLY H 1 25 GLY HA3 2.700 2.700 7.700 2.916 2.906 2.927 . 0 0 "[ . 1 . 2 ]" 1
24 1 25 GLY H 1 25 GLY HA2 0.000 . 2.700 2.348 2.335 2.362 . 0 0 "[ . 1 . 2 ]" 1
25 1 26 VAL H 1 26 VAL HA 2.700 2.700 7.700 2.944 2.942 2.946 . 0 0 "[ . 1 . 2 ]" 1
26 1 27 GLN H 1 27 GLN HA 2.700 2.700 7.700 2.906 2.895 2.917 . 0 0 "[ . 1 . 2 ]" 1
27 1 28 VAL H 1 28 VAL HA 2.700 2.700 7.700 2.971 2.968 2.973 . 0 0 "[ . 1 . 2 ]" 1
28 1 29 ASP H 1 29 ASP HA 2.700 2.700 7.700 2.951 2.945 2.958 . 0 0 "[ . 1 . 2 ]" 1
29 1 30 TYR H 1 30 TYR HA 2.700 2.700 7.700 2.967 2.961 2.969 . 0 0 "[ . 1 . 2 ]" 1
30 1 31 LEU H 1 31 LEU HA 2.700 2.700 7.700 2.957 2.950 2.963 . 0 0 "[ . 1 . 2 ]" 1
31 1 33 LEU H 1 33 LEU HA 2.700 2.700 7.700 2.812 2.795 2.836 . 0 0 "[ . 1 . 2 ]" 1
32 1 34 ASP H 1 34 ASP HA 2.700 2.700 7.700 2.874 2.867 2.877 . 0 0 "[ . 1 . 2 ]" 1
33 1 35 TYR H 1 35 TYR HA 2.700 2.700 7.700 2.827 2.803 2.857 . 0 0 "[ . 1 . 2 ]" 1
34 1 37 ALA H 1 37 ALA HA 2.700 2.700 7.700 2.774 2.763 2.779 . 0 0 "[ . 1 . 2 ]" 1
35 1 38 GLY H 1 38 GLY HA3 2.700 2.700 7.700 2.932 2.928 2.940 . 0 0 "[ . 1 . 2 ]" 1
36 1 38 GLY H 1 38 GLY HA2 0.000 . 2.700 2.366 2.359 2.379 . 0 0 "[ . 1 . 2 ]" 1
37 1 39 GLU H 1 39 GLU HA 2.700 2.700 7.700 2.821 2.810 2.836 . 0 0 "[ . 1 . 2 ]" 1
38 1 41 LEU H 1 41 LEU HA 2.700 2.700 7.700 2.825 2.814 2.834 . 0 0 "[ . 1 . 2 ]" 1
39 1 42 ALA H 1 42 ALA HA 2.700 2.700 7.700 2.817 2.815 2.821 . 0 0 "[ . 1 . 2 ]" 1
40 1 43 ARG H 1 43 ARG HA 2.700 2.700 7.700 2.820 2.813 2.827 . 0 0 "[ . 1 . 2 ]" 1
41 1 44 VAL H 1 44 VAL HA 2.700 2.700 7.700 2.813 2.806 2.818 . 0 0 "[ . 1 . 2 ]" 1
42 1 45 ARG H 1 45 ARG HA 2.700 2.700 7.700 2.845 2.828 2.871 . 0 0 "[ . 1 . 2 ]" 1
43 1 47 GLU H 1 47 GLU HA 2.700 2.700 7.700 2.886 2.876 2.913 . 0 0 "[ . 1 . 2 ]" 1
44 1 48 ARG H 1 48 ARG HA 0.000 . 2.700 2.296 2.293 2.299 . 0 0 "[ . 1 . 2 ]" 1
45 1 49 LEU H 1 49 LEU HA 2.700 2.700 7.700 2.853 2.822 2.887 . 0 0 "[ . 1 . 2 ]" 1
46 1 4 LYS H 1 4 LYS HA 2.700 2.700 7.700 2.963 2.953 2.969 . 0 0 "[ . 1 . 2 ]" 1
47 1 50 ASN H 1 50 ASN HA 2.700 2.700 7.700 2.924 2.905 2.935 . 0 0 "[ . 1 . 2 ]" 1
48 1 51 GLY H 1 51 GLY HA3 2.700 2.700 7.700 2.664 2.654 2.684 0.046 12 0 "[ . 1 . 2 ]" 1
49 1 51 GLY H 1 51 GLY HA2 2.700 2.700 7.700 2.936 2.924 2.944 . 0 0 "[ . 1 . 2 ]" 1
50 1 52 LEU H 1 52 LEU HA 2.700 2.700 7.700 2.962 2.961 2.964 . 0 0 "[ . 1 . 2 ]" 1
51 1 53 VAL H 1 53 VAL HA 2.700 2.700 7.700 2.970 2.967 2.972 . 0 0 "[ . 1 . 2 ]" 1
52 1 54 VAL H 1 54 VAL HA 2.700 2.700 7.700 2.964 2.956 2.972 . 0 0 "[ . 1 . 2 ]" 1
53 1 56 SER H 1 56 SER HA 2.700 2.700 7.700 2.909 2.894 2.931 . 0 0 "[ . 1 . 2 ]" 1
54 1 59 GLY H 1 59 GLY HA3 0.000 . 2.700 2.299 2.296 2.303 . 0 0 "[ . 1 . 2 ]" 1
55 1 59 GLY H 1 59 GLY HA2 2.700 2.700 7.700 2.806 2.802 2.812 . 0 0 "[ . 1 . 2 ]" 1
56 1 5 VAL H 1 5 VAL HA 2.700 2.700 7.700 2.954 2.948 2.959 . 0 0 "[ . 1 . 2 ]" 1
57 1 60 LEU H 1 60 LEU HA 2.700 2.700 7.700 2.797 2.791 2.806 . 0 0 "[ . 1 . 2 ]" 1
58 1 61 GLN H 1 61 GLN HA 2.700 2.700 7.700 2.821 2.815 2.827 . 0 0 "[ . 1 . 2 ]" 1
59 1 62 ASN H 1 62 ASN HA 2.700 2.700 7.700 2.804 2.801 2.808 . 0 0 "[ . 1 . 2 ]" 1
60 1 63 LEU H 1 63 LEU HA 2.700 2.700 7.700 2.799 2.793 2.803 . 0 0 "[ . 1 . 2 ]" 1
61 1 64 TYR H 1 64 TYR HA 2.700 2.700 7.700 2.811 2.801 2.815 . 0 0 "[ . 1 . 2 ]" 1
62 1 65 GLN H 1 65 GLN HA 2.700 2.700 7.700 2.818 2.815 2.823 . 0 0 "[ . 1 . 2 ]" 1
63 1 66 LEU H 1 66 LEU HA 2.700 2.700 7.700 2.833 2.829 2.837 . 0 0 "[ . 1 . 2 ]" 1
64 1 67 ALA H 1 67 ALA HA 2.700 2.700 7.700 2.800 2.798 2.803 . 0 0 "[ . 1 . 2 ]" 1
65 1 68 ALA H 1 68 ALA HA 0.000 . 2.700 2.294 2.292 2.296 . 0 0 "[ . 1 . 2 ]" 1
66 1 69 ALA H 1 69 ALA HA 2.700 2.700 7.700 2.809 2.807 2.811 . 0 0 "[ . 1 . 2 ]" 1
67 1 6 LEU H 1 6 LEU HA 2.700 2.700 7.700 2.953 2.948 2.956 . 0 0 "[ . 1 . 2 ]" 1
68 1 70 ASP H 1 70 ASP HA 2.700 2.700 7.700 2.931 2.930 2.934 . 0 0 "[ . 1 . 2 ]" 1
69 1 71 TRP H 1 71 TRP HA 2.700 2.700 7.700 2.735 2.734 2.737 . 0 0 "[ . 1 . 2 ]" 1
70 1 73 GLU H 1 73 GLU HA 2.700 2.700 7.700 2.892 2.890 2.895 . 0 0 "[ . 1 . 2 ]" 1
71 1 74 ILE H 1 74 ILE HA 2.700 2.700 7.700 2.808 2.806 2.812 . 0 0 "[ . 1 . 2 ]" 1
72 1 75 GLY H 1 75 GLY HA3 0.000 . 2.700 2.289 2.286 2.297 . 0 0 "[ . 1 . 2 ]" 1
73 1 75 GLY H 1 75 GLY HA2 2.700 2.700 7.700 2.810 2.794 2.851 . 0 0 "[ . 1 . 2 ]" 1
74 1 76 ARG H 1 76 ARG HA 2.700 2.700 7.700 2.834 2.822 2.912 . 0 0 "[ . 1 . 2 ]" 1
75 1 77 LEU H 1 77 LEU HA 2.700 2.700 7.700 2.860 2.808 2.909 . 0 0 "[ . 1 . 2 ]" 1
76 1 79 LEU H 1 79 LEU HA 2.700 2.700 7.700 2.958 2.952 2.965 . 0 0 "[ . 1 . 2 ]" 1
77 1 7 ILE H 1 7 ILE HA 2.700 2.700 7.700 2.948 2.939 2.955 . 0 0 "[ . 1 . 2 ]" 1
78 1 80 PHE H 1 80 PHE HA 2.700 2.700 7.700 2.927 2.921 2.933 . 0 0 "[ . 1 . 2 ]" 1
79 1 81 VAL H 1 81 VAL HA 2.700 2.700 7.700 2.964 2.956 2.968 . 0 0 "[ . 1 . 2 ]" 1
80 1 83 SER H 1 83 SER HA 2.700 2.700 7.700 2.935 2.921 2.944 . 0 0 "[ . 1 . 2 ]" 1
81 1 86 VAL H 1 86 VAL HA 2.700 2.700 7.700 2.811 2.809 2.815 . 0 0 "[ . 1 . 2 ]" 1
82 1 87 ALA H 1 87 ALA HA 2.700 2.700 7.700 2.796 2.793 2.798 . 0 0 "[ . 1 . 2 ]" 1
83 1 88 GLU H 1 88 GLU HA 2.700 2.700 7.700 2.813 2.810 2.815 . 0 0 "[ . 1 . 2 ]" 1
84 1 8 MET H 1 8 MET HA 2.700 2.700 7.700 2.932 2.908 2.945 . 0 0 "[ . 1 . 2 ]" 1
85 1 90 ALA H 1 90 ALA HA 2.700 2.700 7.700 2.814 2.802 2.819 . 0 0 "[ . 1 . 2 ]" 1
86 1 91 ARG H 1 91 ARG HA 2.700 2.700 7.700 2.815 2.809 2.846 . 0 0 "[ . 1 . 2 ]" 1
87 1 92 GLU H 1 92 GLU HA 2.700 2.700 7.700 2.809 2.804 2.813 . 0 0 "[ . 1 . 2 ]" 1
88 1 93 LEU H 1 93 LEU HA 2.700 2.700 7.700 2.831 2.816 2.843 . 0 0 "[ . 1 . 2 ]" 1
89 1 94 GLY H 1 94 GLY HA3 2.700 2.700 7.700 2.955 2.950 2.962 . 0 0 "[ . 1 . 2 ]" 1
90 1 94 GLY H 1 94 GLY HA2 0.000 . 2.700 2.412 2.400 2.432 . 0 0 "[ . 1 . 2 ]" 1
91 1 95 ALA H 1 95 ALA HA 2.700 2.700 7.700 2.811 2.807 2.823 . 0 0 "[ . 1 . 2 ]" 1
92 1 96 GLN H 1 96 GLN HA 2.700 2.700 7.700 2.857 2.839 2.874 . 0 0 "[ . 1 . 2 ]" 1
93 1 97 ARG H 1 97 ARG HA 2.700 2.700 7.700 2.958 2.952 2.961 . 0 0 "[ . 1 . 2 ]" 1
94 1 98 VAL H 1 98 VAL HA 2.700 2.700 7.700 2.965 2.961 2.967 . 0 0 "[ . 1 . 2 ]" 1
95 1 99 ILE H 1 99 ILE HA 2.700 2.700 7.700 2.960 2.958 2.961 . 0 0 "[ . 1 . 2 ]" 1
96 1 9 ARG H 1 9 ARG HA 2.700 2.700 7.700 2.806 2.796 2.841 . 0 0 "[ . 1 . 2 ]" 1
97 1 100 ASP H 1 101 CYS H 3.500 3.500 8.500 4.405 4.379 4.419 . 0 0 "[ . 1 . 2 ]" 1
98 1 99 ILE HA 1 100 ASP H 0.000 . 2.700 2.161 2.157 2.167 . 0 0 "[ . 1 . 2 ]" 1
99 1 100 ASP HA 1 101 CYS H 0.000 . 2.700 2.163 2.155 2.170 . 0 0 "[ . 1 . 2 ]" 1
100 1 101 CYS HA 1 102 ARG H 3.200 3.200 8.200 3.369 3.263 3.487 . 0 0 "[ . 1 . 2 ]" 1
101 1 103 GLY HA3 1 104 ALA H 2.700 2.700 7.700 2.905 2.898 2.917 . 0 0 "[ . 1 . 2 ]" 1
102 1 103 GLY HA2 1 104 ALA H 2.700 2.700 7.700 3.537 3.535 3.540 . 0 0 "[ . 1 . 2 ]" 1
103 1 105 SER HA 1 106 ALA H 0.000 . 2.700 2.388 2.302 2.468 . 0 0 "[ . 1 . 2 ]" 1
104 1 106 ALA H 1 107 PRO QD 0.000 . 4.000 2.446 2.424 2.455 . 0 0 "[ . 1 . 2 ]" 1
105 1 107 PRO HA 1 108 ALA H 0.000 . 4.000 3.541 3.539 3.547 . 0 0 "[ . 1 . 2 ]" 1
106 1 107 PRO QD 1 108 ALA H 0.000 . 4.000 2.952 2.923 3.043 . 0 0 "[ . 1 . 2 ]" 1
107 1 108 ALA H 1 109 LEU H 0.000 . 2.700 2.706 2.703 2.708 0.008 3 0 "[ . 1 . 2 ]" 1
108 1 108 ALA HA 1 109 LEU H 3.200 3.200 8.200 3.549 3.547 3.551 . 0 0 "[ . 1 . 2 ]" 1
109 1 109 LEU H 1 110 LEU H 0.000 . 2.700 2.730 2.724 2.734 0.034 18 0 "[ . 1 . 2 ]" 1
110 1 9 ARG HA 1 10 GLY H 0.000 . 2.700 2.217 2.189 2.244 . 0 0 "[ . 1 . 2 ]" 1
111 1 109 LEU HA 1 110 LEU H 3.200 3.200 8.200 3.545 3.543 3.547 . 0 0 "[ . 1 . 2 ]" 1
112 1 110 LEU H 1 111 ALA H 0.000 . 2.700 2.749 2.744 2.753 0.053 10 0 "[ . 1 . 2 ]" 1
113 1 110 LEU HA 1 111 ALA H 3.200 3.200 8.200 3.542 3.540 3.544 . 0 0 "[ . 1 . 2 ]" 1
114 1 111 ALA H 1 112 ALA H 0.000 . 2.700 2.714 2.710 2.716 0.016 7 0 "[ . 1 . 2 ]" 1
115 1 112 ALA H 1 113 LEU H 0.000 . 2.700 2.732 2.726 2.742 0.042 6 0 "[ . 1 . 2 ]" 1
116 1 112 ALA HA 1 113 LEU H 3.200 3.200 8.200 3.545 3.540 3.553 . 0 0 "[ . 1 . 2 ]" 1
117 1 113 LEU H 1 114 THR H 0.000 . 2.700 2.770 2.760 2.776 0.076 13 0 "[ . 1 . 2 ]" 1
118 1 113 LEU HA 1 114 THR H 3.200 3.200 8.200 3.550 3.548 3.551 . 0 0 "[ . 1 . 2 ]" 1
119 1 114 THR H 1 115 SER H 0.000 . 2.700 2.714 2.695 2.724 0.024 12 0 "[ . 1 . 2 ]" 1
120 1 115 SER HA 1 116 ALA H 3.200 3.200 8.200 3.551 3.539 3.561 . 0 0 "[ . 1 . 2 ]" 1
121 1 117 ALA H 1 118 LEU H 0.000 . 2.700 2.728 2.704 2.742 0.042 11 0 "[ . 1 . 2 ]" 1
122 1 117 ALA HA 1 118 LEU H 3.200 3.200 8.200 3.536 3.520 3.547 . 0 0 "[ . 1 . 2 ]" 1
123 1 118 LEU HA 1 119 GLU H 2.700 2.700 7.700 3.538 3.527 3.550 . 0 0 "[ . 1 . 2 ]" 1
124 1 18 ALA HA 1 19 GLU H 0.000 . 4.500 3.554 3.537 3.579 . 0 0 "[ . 1 . 2 ]" 1
125 1 19 GLU H 1 20 ARG H 0.000 . 2.700 2.722 2.716 2.735 0.035 11 0 "[ . 1 . 2 ]" 1
126 1 20 ARG HA 1 21 LEU H 3.200 3.200 8.200 3.586 3.580 3.594 . 0 0 "[ . 1 . 2 ]" 1
127 1 21 LEU H 1 22 ARG H 0.000 . 2.700 2.703 2.667 2.732 0.032 11 0 "[ . 1 . 2 ]" 1
128 1 21 LEU HA 1 22 ARG H 3.200 3.200 8.200 3.542 3.535 3.559 . 0 0 "[ . 1 . 2 ]" 1
129 1 22 ARG H 1 23 GLY H 0.000 . 2.700 2.710 2.698 2.716 0.016 8 0 "[ . 1 . 2 ]" 1
130 1 22 ARG HA 1 23 GLY H 2.700 2.700 7.700 3.552 3.546 3.559 . 0 0 "[ . 1 . 2 ]" 1
131 1 23 GLY H 1 24 GLN H 0.000 . 2.700 2.738 2.734 2.744 0.044 21 0 "[ . 1 . 2 ]" 1
132 1 23 GLY QA 1 24 GLN H 0.000 . 3.500 2.802 2.798 2.805 . 0 0 "[ . 1 . 2 ]" 1
133 1 24 GLN H 1 25 GLY H 0.000 . 2.700 2.739 2.730 2.747 0.047 7 0 "[ . 1 . 2 ]" 1
134 1 24 GLN HA 1 25 GLY H 3.200 3.200 8.200 3.244 3.224 3.263 . 0 0 "[ . 1 . 2 ]" 1
135 1 25 GLY H 1 26 VAL H 0.000 . 2.700 2.422 2.367 2.460 . 0 0 "[ . 1 . 2 ]" 1
136 1 25 GLY HA3 1 26 VAL H 3.200 3.200 8.200 3.450 3.421 3.471 . 0 0 "[ . 1 . 2 ]" 1
137 1 25 GLY HA2 1 26 VAL H 2.700 2.700 8.500 3.173 3.128 3.216 . 0 0 "[ . 1 . 2 ]" 1
138 1 26 VAL H 1 27 GLN H 3.500 3.500 8.500 4.518 4.508 4.526 . 0 0 "[ . 1 . 2 ]" 1
139 1 26 VAL HA 1 27 GLN H 0.000 . 2.700 2.203 2.193 2.214 . 0 0 "[ . 1 . 2 ]" 1
140 1 27 GLN H 1 28 VAL H 3.500 3.500 8.500 4.555 4.520 4.581 . 0 0 "[ . 1 . 2 ]" 1
141 1 27 GLN HA 1 28 VAL H 0.000 . 2.700 2.206 2.182 2.231 . 0 0 "[ . 1 . 2 ]" 1
142 1 28 VAL H 1 29 ASP H 3.500 3.500 8.500 4.365 4.346 4.382 . 0 0 "[ . 1 . 2 ]" 1
143 1 28 VAL HA 1 29 ASP H 0.000 . 2.700 2.125 2.113 2.135 . 0 0 "[ . 1 . 2 ]" 1
144 1 29 ASP H 1 30 TYR H 3.500 3.500 8.500 4.316 4.254 4.371 . 0 0 "[ . 1 . 2 ]" 1
145 1 29 ASP HA 1 30 TYR H 0.000 . 2.700 2.218 2.184 2.259 . 0 0 "[ . 1 . 2 ]" 1
146 1 30 TYR H 1 31 LEU H 3.500 3.500 8.500 4.469 4.420 4.492 . 0 0 "[ . 1 . 2 ]" 1
147 1 30 TYR HA 1 31 LEU H 0.000 . 2.700 2.187 2.160 2.221 . 0 0 "[ . 1 . 2 ]" 1
148 1 31 LEU H 1 32 PRO HD3 3.500 3.500 8.500 4.427 4.183 4.807 . 0 0 "[ . 1 . 2 ]" 1
149 1 31 LEU H 1 32 PRO HD2 3.500 3.500 8.500 5.102 4.961 5.371 . 0 0 "[ . 1 . 2 ]" 1
150 1 32 PRO HD3 1 33 LEU H 3.500 3.500 8.500 5.674 5.602 5.791 . 0 0 "[ . 1 . 2 ]" 1
151 1 32 PRO HD2 1 33 LEU H 3.500 3.500 8.500 5.539 5.338 5.645 . 0 0 "[ . 1 . 2 ]" 1
152 1 32 PRO HA 1 33 LEU H 0.000 . 2.700 2.194 2.176 2.208 . 0 0 "[ . 1 . 2 ]" 1
153 1 33 LEU H 1 34 ASP H 0.000 . 3.200 2.829 2.760 2.880 . 0 0 "[ . 1 . 2 ]" 1
154 1 33 LEU HA 1 34 ASP H 3.200 3.200 8.200 3.396 3.376 3.429 . 0 0 "[ . 1 . 2 ]" 1
155 1 34 ASP H 1 35 TYR H 0.000 . 2.700 2.686 2.657 2.710 0.010 12 0 "[ . 1 . 2 ]" 1
156 1 34 ASP HA 1 35 TYR H 3.200 3.200 8.200 3.401 3.372 3.425 . 0 0 "[ . 1 . 2 ]" 1
157 1 35 TYR H 1 36 PRO HD3 3.200 3.200 8.200 4.994 4.949 5.083 . 0 0 "[ . 1 . 2 ]" 1
158 1 35 TYR HA 1 36 PRO HD2 0.000 . 2.700 2.679 2.626 2.713 0.013 20 0 "[ . 1 . 2 ]" 1
159 1 35 TYR H 1 36 PRO HD2 3.200 3.200 8.200 5.077 5.003 5.126 . 0 0 "[ . 1 . 2 ]" 1
160 1 36 PRO HA 1 37 ALA H 0.000 . 2.700 2.288 2.214 2.329 . 0 0 "[ . 1 . 2 ]" 1
161 1 37 ALA H 1 38 GLY H 3.500 3.500 8.500 4.649 4.639 4.656 . 0 0 "[ . 1 . 2 ]" 1
162 1 37 ALA HA 1 38 GLY H 0.000 . 2.700 2.295 2.284 2.311 . 0 0 "[ . 1 . 2 ]" 1
163 1 38 GLY H 1 39 GLU H 0.000 . 3.200 3.043 2.983 3.078 . 0 0 "[ . 1 . 2 ]" 1
164 1 38 GLY HA3 1 39 GLU H 2.700 2.700 7.700 2.911 2.898 2.935 . 0 0 "[ . 1 . 2 ]" 1
165 1 38 GLY HA2 1 39 GLU H 3.200 3.200 8.200 3.562 3.552 3.572 . 0 0 "[ . 1 . 2 ]" 1
166 1 39 GLU H 1 40 LEU H 0.000 . 2.700 2.684 2.647 2.709 0.009 20 0 "[ . 1 . 2 ]" 1
167 1 40 LEU H 1 41 LEU H 0.000 . 2.700 2.729 2.720 2.736 0.036 10 0 "[ . 1 . 2 ]" 1
168 1 40 LEU HA 1 41 LEU H 3.200 3.200 8.200 3.558 3.555 3.562 . 0 0 "[ . 1 . 2 ]" 1
169 1 41 LEU H 1 42 ALA H 0.000 . 2.700 2.709 2.702 2.716 0.016 2 0 "[ . 1 . 2 ]" 1
170 1 41 LEU HA 1 42 ALA H 3.200 3.200 8.200 3.558 3.549 3.564 . 0 0 "[ . 1 . 2 ]" 1
171 1 42 ALA H 1 43 ARG H 0.000 . 2.700 2.737 2.726 2.750 0.050 9 0 "[ . 1 . 2 ]" 1
172 1 42 ALA HA 1 43 ARG H 3.200 3.200 8.200 3.555 3.543 3.566 . 0 0 "[ . 1 . 2 ]" 1
173 1 43 ARG H 1 44 VAL H 0.000 . 2.700 2.718 2.710 2.726 0.026 19 0 "[ . 1 . 2 ]" 1
174 1 43 ARG HA 1 44 VAL H 3.200 3.200 8.200 3.554 3.547 3.559 . 0 0 "[ . 1 . 2 ]" 1
175 1 44 VAL HA 1 45 ARG H 3.200 3.200 8.200 3.558 3.553 3.570 . 0 0 "[ . 1 . 2 ]" 1
176 1 44 VAL H 1 45 ARG H 0.000 . 2.700 2.735 2.723 2.749 0.049 12 0 "[ . 1 . 2 ]" 1
177 1 46 ALA HA 1 47 GLU H 3.200 3.200 8.200 3.570 3.562 3.585 . 0 0 "[ . 1 . 2 ]" 1
178 1 47 GLU H 1 48 ARG H 0.000 . 2.700 2.603 2.509 2.634 . 0 0 "[ . 1 . 2 ]" 1
179 1 47 GLU HA 1 48 ARG H 3.200 3.200 8.200 3.404 3.366 3.412 . 0 0 "[ . 1 . 2 ]" 1
180 1 48 ARG HA 1 49 LEU H 0.000 . 2.700 2.577 2.566 2.588 . 0 0 "[ . 1 . 2 ]" 1
181 1 49 LEU H 1 50 ASN H 3.500 3.500 8.500 4.610 4.595 4.626 . 0 0 "[ . 1 . 2 ]" 1
182 1 3 PRO HA 1 4 LYS H 0.000 . 2.700 2.299 2.268 2.317 . 0 0 "[ . 1 . 2 ]" 1
183 1 4 LYS H 1 5 VAL H 3.500 3.500 8.500 4.482 4.461 4.507 . 0 0 "[ . 1 . 2 ]" 1
184 1 49 LEU HA 1 50 ASN H 0.000 . 2.700 2.203 2.165 2.238 . 0 0 "[ . 1 . 2 ]" 1
185 1 50 ASN H 1 51 GLY H 0.000 . 2.700 2.259 2.210 2.350 . 0 0 "[ . 1 . 2 ]" 1
186 1 50 ASN HA 1 51 GLY H 3.200 3.200 8.200 3.557 3.552 3.562 . 0 0 "[ . 1 . 2 ]" 1
187 1 51 GLY H 1 52 LEU H 3.500 3.500 8.500 4.429 4.418 4.445 . 0 0 "[ . 1 . 2 ]" 1
188 1 51 GLY HA3 1 52 LEU H 2.700 2.700 7.700 2.707 2.668 2.773 0.032 14 0 "[ . 1 . 2 ]" 1
189 1 51 GLY HA2 1 52 LEU H 0.000 . 2.700 2.328 2.272 2.391 . 0 0 "[ . 1 . 2 ]" 1
190 1 52 LEU H 1 53 VAL H 3.500 3.500 8.500 4.433 4.420 4.447 . 0 0 "[ . 1 . 2 ]" 1
191 1 52 LEU HA 1 53 VAL H 0.000 . 2.700 2.258 2.228 2.278 . 0 0 "[ . 1 . 2 ]" 1
192 1 53 VAL H 1 54 VAL H 3.500 3.500 8.500 4.369 4.348 4.390 . 0 0 "[ . 1 . 2 ]" 1
193 1 53 VAL HA 1 54 VAL H 0.000 . 2.700 2.176 2.156 2.196 . 0 0 "[ . 1 . 2 ]" 1
194 1 55 SER HA 1 56 SER H 3.200 3.200 8.200 3.419 3.197 3.532 0.003 10 0 "[ . 1 . 2 ]" 1
195 1 55 SER H 1 56 SER H 0.000 . 2.700 2.349 2.157 2.619 . 0 0 "[ . 1 . 2 ]" 1
196 1 58 GLN HA 1 59 GLY H 3.200 3.200 8.200 3.565 3.554 3.573 . 0 0 "[ . 1 . 2 ]" 1
197 1 59 GLY H 1 60 LEU H 0.000 . 2.700 2.732 2.723 2.744 0.044 10 0 "[ . 1 . 2 ]" 1
198 1 4 LYS HA 1 5 VAL H 0.000 . 2.700 2.222 2.205 2.237 . 0 0 "[ . 1 . 2 ]" 1
199 1 59 GLY HA3 1 60 LEU H 2.700 2.700 7.700 2.774 2.740 2.811 . 0 0 "[ . 1 . 2 ]" 1
200 1 59 GLY HA2 1 60 LEU H 3.200 3.200 8.200 3.555 3.548 3.563 . 0 0 "[ . 1 . 2 ]" 1
201 1 60 LEU H 1 61 GLN H 0.000 . 2.700 2.771 2.756 2.787 0.087 4 0 "[ . 1 . 2 ]" 1
202 1 60 LEU HA 1 61 GLN H 3.200 3.200 8.200 3.548 3.544 3.554 . 0 0 "[ . 1 . 2 ]" 1
203 1 61 GLN H 1 62 ASN H 0.000 . 2.700 2.720 2.713 2.727 0.027 18 0 "[ . 1 . 2 ]" 1
204 1 61 GLN HA 1 62 ASN H 3.500 3.500 8.500 3.552 3.548 3.558 . 0 0 "[ . 1 . 2 ]" 1
205 1 62 ASN H 1 63 LEU H 0.000 . 2.700 2.729 2.723 2.734 0.034 16 0 "[ . 1 . 2 ]" 1
206 1 62 ASN HA 1 63 LEU H 3.200 3.200 8.200 3.541 3.535 3.545 . 0 0 "[ . 1 . 2 ]" 1
207 1 63 LEU H 1 64 TYR H 0.000 . 2.700 2.732 2.727 2.737 0.037 3 0 "[ . 1 . 2 ]" 1
208 1 63 LEU HA 1 64 TYR H 3.200 3.200 8.200 3.540 3.537 3.542 . 0 0 "[ . 1 . 2 ]" 1
209 1 64 TYR H 1 65 GLN H 0.000 . 2.700 2.744 2.740 2.747 0.047 8 0 "[ . 1 . 2 ]" 1
210 1 64 TYR HA 1 65 GLN H 3.200 3.200 8.200 3.554 3.548 3.557 . 0 0 "[ . 1 . 2 ]" 1
211 1 65 GLN H 1 66 LEU H 0.000 . 2.700 2.731 2.724 2.739 0.039 3 0 "[ . 1 . 2 ]" 1
212 1 65 GLN HA 1 66 LEU H 3.200 3.200 8.200 3.552 3.549 3.557 . 0 0 "[ . 1 . 2 ]" 1
213 1 66 LEU H 1 67 ALA H 0.000 . 2.700 2.654 2.643 2.669 . 0 0 "[ . 1 . 2 ]" 1
214 1 66 LEU HA 1 67 ALA H 3.200 3.200 8.200 3.529 3.522 3.533 . 0 0 "[ . 1 . 2 ]" 1
215 1 67 ALA H 1 68 ALA H 0.000 . 2.700 2.738 2.729 2.743 0.043 14 0 "[ . 1 . 2 ]" 1
216 1 67 ALA HA 1 68 ALA H 3.200 3.200 8.200 3.552 3.549 3.557 . 0 0 "[ . 1 . 2 ]" 1
217 1 68 ALA H 1 69 ALA H 3.500 3.500 8.500 4.703 4.701 4.705 . 0 0 "[ . 1 . 2 ]" 1
218 1 68 ALA HA 1 69 ALA H 3.200 3.200 8.200 3.177 3.165 3.188 0.035 5 0 "[ . 1 . 2 ]" 1
219 1 69 ALA H 1 70 ASP H 0.000 . 2.700 2.772 2.768 2.774 0.074 8 0 "[ . 1 . 2 ]" 1
220 1 5 VAL HA 1 6 LEU H 0.000 . 2.700 2.162 2.148 2.175 . 0 0 "[ . 1 . 2 ]" 1
221 1 6 LEU H 1 7 ILE H 3.500 3.500 8.500 4.492 4.470 4.509 . 0 0 "[ . 1 . 2 ]" 1
222 1 69 ALA HA 1 70 ASP H 3.500 3.500 7.500 3.467 3.462 3.475 0.038 10 0 "[ . 1 . 2 ]" 1
223 1 70 ASP H 1 71 TRP H 0.000 . 2.700 2.650 2.635 2.666 . 0 0 "[ . 1 . 2 ]" 1
224 1 70 ASP HA 1 71 TRP H 3.200 3.200 8.200 3.232 3.198 3.248 0.002 7 0 "[ . 1 . 2 ]" 1
225 1 71 TRP H 1 72 PRO HD3 2.700 2.700 7.700 3.169 3.164 3.175 . 0 0 "[ . 1 . 2 ]" 1
226 1 71 TRP H 1 72 PRO HD2 0.000 . 3.200 2.626 2.620 2.632 . 0 0 "[ . 1 . 2 ]" 1
227 1 71 TRP HA 1 72 PRO HD3 2.700 2.700 7.700 4.095 4.090 4.099 . 0 0 "[ . 1 . 2 ]" 1
228 1 71 TRP HA 1 72 PRO HD2 2.700 2.700 7.700 4.006 4.002 4.008 . 0 0 "[ . 1 . 2 ]" 1
229 1 72 PRO HA 1 73 GLU H 3.200 3.200 8.200 3.586 3.579 3.594 . 0 0 "[ . 1 . 2 ]" 1
230 1 73 GLU H 1 74 ILE H 0.000 . 2.700 2.497 2.481 2.508 . 0 0 "[ . 1 . 2 ]" 1
231 1 73 GLU HA 1 74 ILE H 3.200 3.200 8.200 3.555 3.550 3.557 . 0 0 "[ . 1 . 2 ]" 1
232 1 74 ILE H 1 75 GLY H 0.000 . 2.700 2.711 2.707 2.716 0.016 10 0 "[ . 1 . 2 ]" 1
233 1 74 ILE HA 1 75 GLY H 0.000 . 4.000 3.520 3.514 3.524 . 0 0 "[ . 1 . 2 ]" 1
234 1 75 GLY H 1 76 ARG H 0.000 . 2.700 2.755 2.749 2.769 0.069 21 0 "[ . 1 . 2 ]" 1
235 1 75 GLY HA3 1 76 ARG H 2.700 2.700 7.700 3.161 3.097 3.320 . 0 0 "[ . 1 . 2 ]" 1
236 1 75 GLY HA2 1 76 ARG H 3.200 3.200 8.200 3.431 3.341 3.467 . 0 0 "[ . 1 . 2 ]" 1
237 1 76 ARG H 1 77 LEU H 0.000 . 2.700 2.645 2.519 2.672 . 0 0 "[ . 1 . 2 ]" 1
238 1 76 ARG HA 1 77 LEU H 3.200 3.200 8.200 3.501 3.354 3.518 . 0 0 "[ . 1 . 2 ]" 1
239 1 77 LEU H 1 78 PRO HD3 3.200 3.200 8.200 5.079 4.678 5.270 . 0 0 "[ . 1 . 2 ]" 1
240 1 77 LEU H 1 78 PRO HD2 3.200 3.200 8.200 5.008 4.847 5.323 . 0 0 "[ . 1 . 2 ]" 1
241 1 77 LEU HA 1 78 PRO HD3 0.000 . 2.700 2.428 2.114 2.619 . 0 0 "[ . 1 . 2 ]" 1
242 1 77 LEU HA 1 78 PRO HD2 0.000 . 2.700 2.468 2.294 2.751 0.051 18 0 "[ . 1 . 2 ]" 1
243 1 78 PRO HA 1 79 LEU H 0.000 . 2.700 2.178 2.163 2.198 . 0 0 "[ . 1 . 2 ]" 1
244 1 79 LEU H 1 80 PHE H 3.500 3.500 8.500 4.415 4.391 4.434 . 0 0 "[ . 1 . 2 ]" 1
245 1 6 LEU HA 1 7 ILE H 0.000 . 2.700 2.191 2.171 2.208 . 0 0 "[ . 1 . 2 ]" 1
246 1 7 ILE H 1 8 MET H 3.500 3.500 8.500 4.459 4.442 4.476 . 0 0 "[ . 1 . 2 ]" 1
247 1 79 LEU HA 1 80 PHE H 0.000 . 2.700 2.158 2.145 2.172 . 0 0 "[ . 1 . 2 ]" 1
248 1 80 PHE H 1 81 VAL H 3.500 3.500 8.500 4.467 4.433 4.486 . 0 0 "[ . 1 . 2 ]" 1
249 1 80 PHE HA 1 81 VAL H 0.000 . 2.700 2.195 2.185 2.206 . 0 0 "[ . 1 . 2 ]" 1
250 1 81 VAL H 1 82 PRO HD3 3.500 3.500 8.500 4.911 4.880 4.976 . 0 0 "[ . 1 . 2 ]" 1
251 1 81 VAL H 1 82 PRO HD2 3.500 3.500 8.500 5.136 5.083 5.154 . 0 0 "[ . 1 . 2 ]" 1
252 1 81 VAL HA 1 82 PRO HD3 0.000 . 2.700 2.187 2.165 2.231 . 0 0 "[ . 1 . 2 ]" 1
253 1 81 VAL HA 1 82 PRO HD2 2.700 2.700 7.700 2.780 2.734 2.820 . 0 0 "[ . 1 . 2 ]" 1
254 1 82 PRO HA 1 83 SER H 3.200 3.200 8.200 3.494 3.477 3.523 . 0 0 "[ . 1 . 2 ]" 1
255 1 82 PRO HD3 1 83 SER H 3.200 3.200 8.200 3.729 3.698 3.779 . 0 0 "[ . 1 . 2 ]" 1
256 1 82 PRO HD2 1 83 SER H 0.000 . 3.200 2.377 2.334 2.446 . 0 0 "[ . 1 . 2 ]" 1
257 1 85 ARG HA 1 86 VAL H 3.200 3.200 8.200 3.575 3.572 3.579 . 0 0 "[ . 1 . 2 ]" 1
258 1 86 VAL H 1 87 ALA H 0.000 . 2.700 2.716 2.714 2.719 0.019 17 0 "[ . 1 . 2 ]" 1
259 1 86 VAL HA 1 87 ALA H 3.200 3.200 8.200 3.547 3.544 3.551 . 0 0 "[ . 1 . 2 ]" 1
260 1 87 ALA H 1 88 GLU H 0.000 . 2.700 2.746 2.742 2.752 0.052 10 0 "[ . 1 . 2 ]" 1
261 1 87 ALA HA 1 88 GLU H 3.200 3.200 8.200 3.544 3.540 3.546 . 0 0 "[ . 1 . 2 ]" 1
262 1 88 GLU H 1 89 MET H 0.000 . 2.700 2.722 2.716 2.742 0.042 14 0 "[ . 1 . 2 ]" 1
263 1 88 GLU HA 1 89 MET H 3.200 3.200 8.200 3.551 3.547 3.565 . 0 0 "[ . 1 . 2 ]" 1
264 1 89 MET H 1 90 ALA H 0.000 . 2.700 2.737 2.666 2.747 0.047 18 0 "[ . 1 . 2 ]" 1
265 1 7 ILE HA 1 8 MET H 0.000 . 2.700 2.142 2.119 2.175 . 0 0 "[ . 1 . 2 ]" 1
266 1 89 MET HA 1 90 ALA H 3.200 3.200 8.200 3.542 3.539 3.546 . 0 0 "[ . 1 . 2 ]" 1
267 1 90 ALA H 1 91 ARG H 0.000 . 2.700 2.718 2.709 2.769 0.069 14 0 "[ . 1 . 2 ]" 1
268 1 90 ALA HA 1 91 ARG H 3.200 3.200 8.200 3.545 3.542 3.564 . 0 0 "[ . 1 . 2 ]" 1
269 1 91 ARG H 1 92 GLU H 0.000 . 2.700 2.728 2.672 2.736 0.036 13 0 "[ . 1 . 2 ]" 1
270 1 91 ARG HA 1 92 GLU H 3.200 3.200 8.200 3.556 3.551 3.565 . 0 0 "[ . 1 . 2 ]" 1
271 1 92 GLU H 1 93 LEU H 0.000 . 2.700 2.735 2.730 2.750 0.050 14 0 "[ . 1 . 2 ]" 1
272 1 92 GLU HA 1 93 LEU H 3.200 3.200 8.200 3.543 3.538 3.545 . 0 0 "[ . 1 . 2 ]" 1
273 1 93 LEU H 1 94 GLY H 0.000 . 2.700 2.717 2.710 2.724 0.024 14 0 "[ . 1 . 2 ]" 1
274 1 93 LEU HA 1 94 GLY H 3.200 3.200 8.200 3.480 3.464 3.496 . 0 0 "[ . 1 . 2 ]" 1
275 1 94 GLY H 1 95 ALA H 0.000 . 2.700 2.216 2.165 2.249 . 0 0 "[ . 1 . 2 ]" 1
276 1 94 GLY HA3 1 95 ALA H 3.200 3.200 8.200 3.477 3.461 3.485 . 0 0 "[ . 1 . 2 ]" 1
277 1 94 GLY HA2 1 95 ALA H 2.700 2.700 7.700 3.206 3.198 3.227 . 0 0 "[ . 1 . 2 ]" 1
278 1 95 ALA H 1 96 GLN H 3.500 3.500 8.500 4.543 4.534 4.595 . 0 0 "[ . 1 . 2 ]" 1
279 1 95 ALA HA 1 96 GLN H 0.000 . 2.700 2.149 2.138 2.194 . 0 0 "[ . 1 . 2 ]" 1
280 1 96 GLN H 1 97 ARG H 0.000 . 2.700 2.549 2.499 2.598 . 0 0 "[ . 1 . 2 ]" 1
281 1 96 GLN HA 1 97 ARG H 3.500 3.500 8.500 3.533 3.527 3.540 . 0 0 "[ . 1 . 2 ]" 1
282 1 97 ARG H 1 98 VAL H 3.500 3.500 8.500 4.129 4.096 4.167 . 0 0 "[ . 1 . 2 ]" 1
283 1 97 ARG HA 1 98 VAL H 0.000 . 2.700 2.146 2.110 2.157 . 0 0 "[ . 1 . 2 ]" 1
284 1 98 VAL H 1 99 ILE H 0.000 . 4.500 4.413 4.388 4.426 . 0 0 "[ . 1 . 2 ]" 1
285 1 99 ILE H 1 100 ASP H 3.500 3.500 8.500 4.305 4.264 4.340 . 0 0 "[ . 1 . 2 ]" 1
286 1 98 VAL HA 1 99 ILE H 0.000 . 2.700 2.151 2.143 2.170 . 0 0 "[ . 1 . 2 ]" 1
287 1 8 MET HA 1 9 ARG H 0.000 . 2.700 2.204 2.181 2.230 . 0 0 "[ . 1 . 2 ]" 1
288 1 8 MET H 1 9 ARG H 3.500 3.500 8.500 4.517 4.481 4.539 . 0 0 "[ . 1 . 2 ]" 1
289 1 101 CYS HA 1 104 ALA MB 0.000 . 3.500 2.223 2.073 2.592 . 0 0 "[ . 1 . 2 ]" 1
290 1 100 ASP HA 1 102 ARG H 0.000 . 3.600 3.599 3.562 3.643 0.043 10 0 "[ . 1 . 2 ]" 1
291 1 101 CYS QB 1 104 ALA MB 0.000 . 5.600 3.361 3.014 4.005 . 0 0 "[ . 1 . 2 ]" 1
292 1 101 CYS HA 1 104 ALA H 0.000 . 3.600 2.881 2.828 3.007 . 0 0 "[ . 1 . 2 ]" 1
293 1 105 SER QB 1 108 ALA H 0.000 . 4.800 3.162 2.733 3.958 . 0 0 "[ . 1 . 2 ]" 1
294 1 105 SER H 1 108 ALA H 0.000 . 5.000 3.908 3.747 4.228 . 0 0 "[ . 1 . 2 ]" 1
295 1 106 ALA MB 1 108 ALA H 0.000 . 5.300 4.408 4.354 4.422 . 0 0 "[ . 1 . 2 ]" 1
296 1 108 ALA H 1 110 LEU H 0.000 . 4.500 4.147 4.125 4.199 . 0 0 "[ . 1 . 2 ]" 1
297 1 106 ALA HA 1 109 LEU H 0.000 . 3.600 3.435 3.347 3.513 . 0 0 "[ . 1 . 2 ]" 1
298 1 107 PRO HA 1 109 LEU H 0.000 . 4.500 4.349 4.297 4.405 . 0 0 "[ . 1 . 2 ]" 1
299 1 107 PRO HA 1 111 ALA H 0.000 . 4.500 4.451 4.419 4.488 . 0 0 "[ . 1 . 2 ]" 1
300 1 110 LEU QB 1 112 ALA H 0.000 . 5.300 4.671 4.641 4.707 . 0 0 "[ . 1 . 2 ]" 1
301 1 110 LEU HA 1 113 LEU H 0.000 . 3.600 3.519 3.434 3.600 0.000 10 0 "[ . 1 . 2 ]" 1
302 1 111 ALA HA 1 114 THR H 0.000 . 3.600 3.598 3.571 3.616 0.016 10 0 "[ . 1 . 2 ]" 1
303 1 112 ALA H 1 114 THR H 0.000 . 4.500 4.396 4.346 4.443 . 0 0 "[ . 1 . 2 ]" 1
304 1 112 ALA HA 1 115 SER H 0.000 . 3.600 3.615 3.609 3.637 0.037 10 0 "[ . 1 . 2 ]" 1
305 1 114 THR HA 1 117 ALA H 0.000 . 3.600 3.605 3.546 3.617 0.017 8 0 "[ . 1 . 2 ]" 1
306 1 115 SER HA 1 118 LEU H 0.000 . 3.600 3.542 3.432 3.601 0.001 16 0 "[ . 1 . 2 ]" 1
307 1 17 LEU HA 1 20 ARG H 0.000 . 3.600 3.632 3.615 3.671 0.071 6 0 "[ . 1 . 2 ]" 1
308 1 18 ALA HA 1 21 LEU H 0.000 . 3.600 3.635 3.601 3.657 0.057 8 0 "[ . 1 . 2 ]" 1
309 1 19 GLU HA 1 22 ARG H 0.000 . 3.600 3.601 3.530 3.632 0.032 3 0 "[ . 1 . 2 ]" 1
310 1 22 ARG H 1 24 GLN H 0.000 . 4.500 4.163 4.122 4.226 . 0 0 "[ . 1 . 2 ]" 1
311 1 22 ARG HA 1 25 GLY H 0.000 . 3.600 3.626 3.613 3.642 0.042 15 0 "[ . 1 . 2 ]" 1
312 1 22 ARG HA 1 26 VAL H 0.000 . 3.200 3.051 2.936 3.199 . 0 0 "[ . 1 . 2 ]" 1
313 1 31 LEU MD1 1 35 TYR HD2 0.000 . 4.000 3.201 2.580 3.342 . 0 0 "[ . 1 . 2 ]" 1
314 1 31 LEU MD1 1 35 TYR HE2 0.000 . 4.300 3.176 2.708 3.570 . 0 0 "[ . 1 . 2 ]" 1
315 1 31 LEU MD2 1 35 TYR QB 0.000 . 4.800 2.417 2.109 2.762 . 0 0 "[ . 1 . 2 ]" 1
316 1 32 PRO HD2 1 35 TYR HD2 0.000 . 4.000 2.869 2.456 3.333 . 0 0 "[ . 1 . 2 ]" 1
317 1 31 LEU MD1 1 35 TYR HB3 0.000 . 4.300 3.594 3.584 3.616 . 0 0 "[ . 1 . 2 ]" 1
318 1 31 LEU MD1 1 35 TYR HB2 0.000 . 4.300 3.316 3.171 3.413 . 0 0 "[ . 1 . 2 ]" 1
319 1 33 LEU HA 1 35 TYR H 0.000 . 3.600 3.594 3.530 3.636 0.036 21 0 "[ . 1 . 2 ]" 1
320 1 39 GLU H 1 41 LEU H 0.000 . 4.500 4.406 4.364 4.463 . 0 0 "[ . 1 . 2 ]" 1
321 1 41 LEU H 1 43 ARG H 0.000 . 4.500 4.344 4.249 4.431 . 0 0 "[ . 1 . 2 ]" 1
322 1 41 LEU HA 1 44 VAL H 0.000 . 3.600 3.625 3.616 3.639 0.039 17 0 "[ . 1 . 2 ]" 1
323 1 42 ALA HA 1 45 ARG H 0.000 . 3.600 3.643 3.629 3.657 0.057 15 0 "[ . 1 . 2 ]" 1
324 1 43 ARG HA 1 47 GLU H 0.000 . 3.600 3.649 3.609 3.714 0.114 11 0 "[ . 1 . 2 ]" 1
325 1 49 LEU HA 1 51 GLY H 0.000 . 4.500 4.061 3.954 4.122 . 0 0 "[ . 1 . 2 ]" 1
326 1 49 LEU MD2 1 51 GLY H 0.000 . 4.800 4.017 4.008 4.027 . 0 0 "[ . 1 . 2 ]" 1
327 1 54 VAL MG1 1 56 SER H 0.000 . 4.800 4.048 4.031 4.058 . 0 0 "[ . 1 . 2 ]" 1
328 1 54 VAL MG2 1 56 SER H 0.000 . 4.800 3.795 3.565 3.953 . 0 0 "[ . 1 . 2 ]" 1
329 1 56 SER H 1 59 GLY QA 0.000 . 5.000 3.694 3.552 3.835 . 0 0 "[ . 1 . 2 ]" 1
330 1 56 SER H 1 59 GLY H 0.000 . 5.000 3.741 3.501 3.960 . 0 0 "[ . 1 . 2 ]" 1
331 1 56 SER H 1 60 LEU HB2 0.000 . 5.000 5.024 5.009 5.048 0.048 2 0 "[ . 1 . 2 ]" 1
332 1 59 GLY QA 1 61 GLN H 0.000 . 4.800 4.106 4.057 4.181 . 0 0 "[ . 1 . 2 ]" 1
333 1 59 GLY HA2 1 62 ASN H 0.000 . 3.600 3.538 3.486 3.603 0.003 3 0 "[ . 1 . 2 ]" 1
334 1 60 LEU HA 1 63 LEU H 0.000 . 3.600 3.499 3.419 3.561 . 0 0 "[ . 1 . 2 ]" 1
335 1 61 GLN HA 1 64 TYR H 0.000 . 3.600 3.449 3.423 3.481 . 0 0 "[ . 1 . 2 ]" 1
336 1 62 ASN HA 1 65 GLN H 0.000 . 3.600 3.455 3.354 3.571 . 0 0 "[ . 1 . 2 ]" 1
337 1 62 ASN HA 1 66 LEU H 0.000 . 4.500 4.142 4.055 4.267 . 0 0 "[ . 1 . 2 ]" 1
338 1 67 ALA MB 1 71 TRP HA 0.000 . 4.300 2.057 2.054 2.061 . 0 0 "[ . 1 . 2 ]" 1
339 1 67 ALA MB 1 71 TRP HE3 0.000 . 3.500 2.255 2.207 2.311 . 0 0 "[ . 1 . 2 ]" 1
340 1 67 ALA MB 1 71 TRP HZ3 0.000 . 4.800 3.681 3.609 3.768 . 0 0 "[ . 1 . 2 ]" 1
341 1 64 TYR HA 1 67 ALA H 0.000 . 3.600 3.586 3.546 3.609 0.009 4 0 "[ . 1 . 2 ]" 1
342 1 65 GLN HA 1 68 ALA H 0.000 . 3.600 3.605 3.566 3.616 0.016 6 0 "[ . 1 . 2 ]" 1
343 1 70 ASP H 1 74 ILE MD 0.000 . 5.300 4.078 3.957 4.168 . 0 0 "[ . 1 . 2 ]" 1
344 1 71 TRP HE3 1 74 ILE HB 0.000 . 4.000 2.943 2.917 2.992 . 0 0 "[ . 1 . 2 ]" 1
345 1 70 ASP HA 1 73 GLU H 0.000 . 3.600 3.645 3.637 3.654 0.054 6 0 "[ . 1 . 2 ]" 1
346 1 71 TRP HA 1 73 GLU H 0.000 . 4.500 4.127 4.098 4.175 . 0 0 "[ . 1 . 2 ]" 1
347 1 73 GLU H 1 75 GLY H 0.000 . 4.500 3.965 3.909 3.988 . 0 0 "[ . 1 . 2 ]" 1
348 1 71 TRP HA 1 74 ILE MG 0.000 . 4.800 3.994 3.962 4.006 . 0 0 "[ . 1 . 2 ]" 1
349 1 71 TRP HE3 1 74 ILE MG 0.000 . 4.000 3.354 3.346 3.363 . 0 0 "[ . 1 . 2 ]" 1
350 1 71 TRP HZ3 1 74 ILE MG 0.000 . 4.300 3.228 3.151 3.262 . 0 0 "[ . 1 . 2 ]" 1
351 1 71 TRP HA 1 74 ILE H 0.000 . 3.600 3.358 3.335 3.384 . 0 0 "[ . 1 . 2 ]" 1
352 1 74 ILE H 1 76 ARG H 0.000 . 4.500 4.254 4.211 4.352 . 0 0 "[ . 1 . 2 ]" 1
353 1 71 TRP HA 1 75 GLY H 0.000 . 4.000 3.716 3.665 3.783 . 0 0 "[ . 1 . 2 ]" 1
354 1 75 GLY H 1 77 LEU H 0.000 . 4.500 4.553 4.511 4.580 0.080 8 0 "[ . 1 . 2 ]" 1
355 1 73 GLU HA 1 76 ARG H 0.000 . 4.000 3.948 3.903 4.014 0.014 8 0 "[ . 1 . 2 ]" 1
356 1 81 VAL HA 1 83 SER H 0.000 . 4.500 4.169 4.122 4.248 . 0 0 "[ . 1 . 2 ]" 1
357 1 81 VAL MG2 1 83 SER H 0.000 . 3.500 2.930 2.925 2.937 . 0 0 "[ . 1 . 2 ]" 1
358 1 83 SER H 1 86 VAL H 0.000 . 4.000 3.790 3.756 3.911 . 0 0 "[ . 1 . 2 ]" 1
359 1 83 SER H 1 87 ALA MB 0.000 . 5.300 4.430 4.422 4.442 . 0 0 "[ . 1 . 2 ]" 1
360 1 83 SER H 1 87 ALA H 0.000 . 4.500 3.935 3.914 3.973 . 0 0 "[ . 1 . 2 ]" 1
361 1 84 PRO HA 1 87 ALA MB 0.000 . 3.500 2.567 2.492 2.633 . 0 0 "[ . 1 . 2 ]" 1
362 1 86 VAL HA 1 89 MET H 0.000 . 3.600 3.361 3.249 3.435 . 0 0 "[ . 1 . 2 ]" 1
363 1 87 ALA HA 1 89 MET H 2.700 2.700 7.700 4.416 4.373 4.467 . 0 0 "[ . 1 . 2 ]" 1
364 1 89 MET H 1 91 ARG H 0.000 . 4.500 4.220 4.172 4.515 0.015 14 0 "[ . 1 . 2 ]" 1
365 1 92 GLU H 1 94 GLY H 0.000 . 4.500 4.079 4.049 4.120 . 0 0 "[ . 1 . 2 ]" 1
366 1 91 ARG H 1 93 LEU H 0.000 . 4.500 4.240 4.072 4.310 . 0 0 "[ . 1 . 2 ]" 1
367 1 92 GLU HA 1 94 GLY H 0.000 . 4.000 3.883 3.803 3.921 . 0 0 "[ . 1 . 2 ]" 1
368 1 95 ALA MB 1 98 VAL MG2 0.000 . 4.300 2.026 1.914 2.132 . 0 0 "[ . 1 . 2 ]" 1
369 1 91 ARG HA 1 95 ALA H 0.000 . 3.200 3.221 3.115 3.239 0.039 6 0 "[ . 1 . 2 ]" 1
370 1 93 LEU QB 1 95 ALA H 0.000 . 4.300 3.020 2.750 3.096 . 0 0 "[ . 1 . 2 ]" 1
371 1 93 LEU H 1 95 ALA H 0.000 . 4.000 3.952 3.888 4.005 0.005 8 0 "[ . 1 . 2 ]" 1
372 1 95 ALA H 1 98 VAL MG2 0.000 . 4.800 4.037 4.021 4.049 . 0 0 "[ . 1 . 2 ]" 1
373 1 95 ALA HA 1 97 ARG H 0.000 . 4.000 4.015 3.983 4.044 0.044 10 0 "[ . 1 . 2 ]" 1
374 1 81 VAL MG2 1 101 CYS H 0.000 . 4.300 3.112 3.043 3.201 . 0 0 "[ . 1 . 2 ]" 1
375 1 83 SER HA 1 102 ARG H 0.000 . 4.500 4.392 4.096 4.522 0.022 10 0 "[ . 1 . 2 ]" 1
376 1 104 ALA MB 1 109 LEU MD2 0.000 . 4.300 2.260 1.928 2.413 . 0 0 "[ . 1 . 2 ]" 1
377 1 20 ARG QD 1 106 ALA MB 0.000 . 5.600 3.053 1.914 4.037 . 0 0 "[ . 1 . 2 ]" 1
378 1 21 LEU MD2 1 106 ALA MB 0.000 . 5.600 3.896 3.891 3.902 . 0 0 "[ . 1 . 2 ]" 1
379 1 101 CYS HA 1 109 LEU MD2 0.000 . 4.300 2.466 2.072 2.805 . 0 0 "[ . 1 . 2 ]" 1
380 1 101 CYS HB3 1 109 LEU MD2 0.000 . 3.500 2.299 2.053 2.916 . 0 0 "[ . 1 . 2 ]" 1
381 1 101 CYS HB2 1 109 LEU MD2 0.000 . 3.500 2.563 2.249 2.923 . 0 0 "[ . 1 . 2 ]" 1
382 1 80 PHE HD2 1 109 LEU MD2 0.000 . 3.500 2.267 2.108 2.522 . 0 0 "[ . 1 . 2 ]" 1
383 1 80 PHE HE2 1 109 LEU MD2 0.000 . 3.500 2.095 1.972 2.198 . 0 0 "[ . 1 . 2 ]" 1
384 1 104 ALA MB 1 109 LEU H 0.000 . 5.300 3.792 3.188 4.014 . 0 0 "[ . 1 . 2 ]" 1
385 1 80 PHE HE2 1 112 ALA MB 0.000 . 3.500 2.922 2.913 2.938 . 0 0 "[ . 1 . 2 ]" 1
386 1 99 ILE MD 1 112 ALA MB 0.000 . 4.800 2.446 2.177 2.718 . 0 0 "[ . 1 . 2 ]" 1
387 1 80 PHE HZ 1 113 LEU MD1 0.000 . 4.300 2.567 2.317 2.989 . 0 0 "[ . 1 . 2 ]" 1
388 1 80 PHE HE1 1 113 LEU MD2 0.000 . 4.300 3.041 2.755 3.314 . 0 0 "[ . 1 . 2 ]" 1
389 1 80 PHE HZ 1 113 LEU H 0.000 . 4.500 3.900 3.701 4.041 . 0 0 "[ . 1 . 2 ]" 1
390 1 3 PRO QB 1 114 THR MG 0.000 . 5.100 3.807 3.802 3.818 . 0 0 "[ . 1 . 2 ]" 1
391 1 3 PRO QG 1 114 THR MG 0.000 . 4.300 2.750 2.212 2.928 . 0 0 "[ . 1 . 2 ]" 1
392 1 99 ILE MD 1 116 ALA MB 0.000 . 5.600 3.899 3.892 3.908 . 0 0 "[ . 1 . 2 ]" 1
393 1 18 ALA HA 1 28 VAL MG2 0.000 . 4.300 2.705 2.082 3.104 . 0 0 "[ . 1 . 2 ]" 1
394 1 21 LEU MD1 1 28 VAL MG2 0.000 . 4.800 2.699 2.423 2.997 . 0 0 "[ . 1 . 2 ]" 1
395 1 5 VAL MG2 1 21 LEU MD1 0.000 . 4.800 1.971 1.884 2.012 . 0 0 "[ . 1 . 2 ]" 1
396 1 21 LEU MD1 1 80 PHE HD1 0.000 . 5.800 4.844 4.837 4.853 . 0 0 "[ . 1 . 2 ]" 1
397 1 21 LEU MD2 1 80 PHE HZ 0.000 . 5.800 4.876 4.866 4.886 . 0 0 "[ . 1 . 2 ]" 1
398 1 22 ARG H 1 28 VAL MG2 0.000 . 3.600 2.723 2.445 2.941 . 0 0 "[ . 1 . 2 ]" 1
399 1 24 GLN HE21 1 106 ALA MB 0.000 . 4.000 2.829 2.586 3.147 . 0 0 "[ . 1 . 2 ]" 1
400 1 24 GLN HE22 1 106 ALA HA 0.000 . 4.500 3.743 3.525 4.321 . 0 0 "[ . 1 . 2 ]" 1
401 1 24 GLN HE22 1 106 ALA MB 0.000 . 4.000 1.854 1.799 1.890 . 0 0 "[ . 1 . 2 ]" 1
402 1 24 GLN HE22 1 107 PRO QD 0.000 . 4.800 2.218 1.930 2.646 . 0 0 "[ . 1 . 2 ]" 1
403 1 3 PRO QD 1 26 VAL HA 0.000 . 4.300 3.368 3.048 3.658 . 0 0 "[ . 1 . 2 ]" 1
404 1 26 VAL MG2 1 110 LEU HA 0.000 . 4.300 3.583 3.502 3.603 . 0 0 "[ . 1 . 2 ]" 1
405 1 21 LEU HA 1 26 VAL H 0.000 . 4.500 4.455 4.281 4.514 0.014 14 0 "[ . 1 . 2 ]" 1
406 1 4 LYS QG 1 27 GLN HE22 0.000 . 4.800 3.179 2.981 3.357 . 0 0 "[ . 1 . 2 ]" 1
407 1 4 LYS HA 1 27 GLN H 0.000 . 3.600 3.159 3.010 3.268 . 0 0 "[ . 1 . 2 ]" 1
408 1 4 LYS QB 1 27 GLN H 0.000 . 5.800 5.007 4.823 5.114 . 0 0 "[ . 1 . 2 ]" 1
409 1 4 LYS QG 1 27 GLN H 0.000 . 5.800 3.811 3.619 3.936 . 0 0 "[ . 1 . 2 ]" 1
410 1 18 ALA HA 1 28 VAL MG1 0.000 . 4.300 2.063 2.049 2.074 . 0 0 "[ . 1 . 2 ]" 1
411 1 7 ILE MD 1 28 VAL MG1 0.000 . 4.300 1.809 1.794 1.821 . 0 0 "[ . 1 . 2 ]" 1
412 1 21 LEU QB 1 28 VAL MG2 0.000 . 4.800 1.967 1.859 2.139 . 0 0 "[ . 1 . 2 ]" 1
413 1 22 ARG QD 1 28 VAL MG2 0.000 . 5.600 3.662 2.702 4.165 . 0 0 "[ . 1 . 2 ]" 1
414 1 5 VAL MG2 1 29 ASP H 0.000 . 4.800 3.645 3.460 3.796 . 0 0 "[ . 1 . 2 ]" 1
415 1 6 LEU MD1 1 29 ASP H 0.000 . 4.800 3.954 3.717 4.005 . 0 0 "[ . 1 . 2 ]" 1
416 1 14 ARG QB 1 30 TYR HD1 0.000 . 4.800 4.079 3.322 4.377 . 0 0 "[ . 1 . 2 ]" 1
417 1 14 ARG QG 1 30 TYR HD1 0.000 . 4.800 4.220 3.360 4.323 . 0 0 "[ . 1 . 2 ]" 1
418 1 18 ALA MB 1 30 TYR HD2 0.000 . 4.800 4.017 4.000 4.026 . 0 0 "[ . 1 . 2 ]" 1
419 1 7 ILE MD 1 30 TYR HD2 0.000 . 4.800 3.505 3.230 4.001 . 0 0 "[ . 1 . 2 ]" 1
420 1 31 LEU MD1 1 39 GLU QB 0.000 . 4.800 3.575 3.566 3.591 . 0 0 "[ . 1 . 2 ]" 1
421 1 6 LEU MD1 1 31 LEU H 0.000 . 4.800 3.329 3.055 3.584 . 0 0 "[ . 1 . 2 ]" 1
422 1 8 MET HA 1 31 LEU H 0.000 . 4.000 3.942 3.725 4.039 0.039 18 0 "[ . 1 . 2 ]" 1
423 1 35 TYR H 1 66 LEU MD1 0.000 . 4.800 4.025 4.016 4.036 . 0 0 "[ . 1 . 2 ]" 1
424 1 37 ALA HA 1 66 LEU HA 0.000 . 2.700 2.104 2.091 2.192 . 0 0 "[ . 1 . 2 ]" 1
425 1 37 ALA H 1 66 LEU MD2 0.000 . 5.300 2.940 2.817 3.110 . 0 0 "[ . 1 . 2 ]" 1
426 1 38 GLY H 1 66 LEU HA 0.000 . 3.600 3.194 3.140 3.266 . 0 0 "[ . 1 . 2 ]" 1
427 1 38 GLY H 1 66 LEU MD2 0.000 . 4.300 3.597 3.591 3.604 . 0 0 "[ . 1 . 2 ]" 1
428 1 38 GLY H 1 68 ALA MB 0.000 . 4.000 3.364 3.356 3.373 . 0 0 "[ . 1 . 2 ]" 1
429 1 41 LEU H 1 74 ILE MD 0.000 . 4.300 3.586 3.544 3.592 . 0 0 "[ . 1 . 2 ]" 1
430 1 44 VAL HA 1 49 LEU MD1 0.000 . 3.500 2.025 2.002 2.080 . 0 0 "[ . 1 . 2 ]" 1
431 1 44 VAL HA 1 49 LEU H 0.000 . 3.200 3.141 2.879 3.215 0.015 14 0 "[ . 1 . 2 ]" 1
432 1 4 LYS H 1 50 ASN HB3 0.000 . 4.500 4.428 4.268 4.508 0.008 5 0 "[ . 1 . 2 ]" 1
433 1 4 LYS H 1 50 ASN HB2 0.000 . 4.000 3.016 2.808 3.125 . 0 0 "[ . 1 . 2 ]" 1
434 1 4 LYS H 1 50 ASN HD21 0.000 . 5.000 4.896 4.816 4.943 . 0 0 "[ . 1 . 2 ]" 1
435 1 4 LYS H 1 50 ASN HD22 0.000 . 5.000 4.301 4.178 4.377 . 0 0 "[ . 1 . 2 ]" 1
436 1 50 ASN HD21 1 113 LEU MD2 0.000 . 5.300 3.531 3.458 3.577 . 0 0 "[ . 1 . 2 ]" 1
437 1 50 ASN HD21 1 117 ALA HA 3.500 3.500 4.500 3.867 3.509 4.376 . 0 0 "[ . 1 . 2 ]" 1
438 1 50 ASN HD21 1 117 ALA MB 0.000 . 5.300 2.159 1.919 2.695 . 0 0 "[ . 1 . 2 ]" 1
439 1 3 PRO HA 1 50 ASN HD21 0.000 . 4.500 4.500 4.440 4.514 0.014 10 0 "[ . 1 . 2 ]" 1
440 1 50 ASN HD22 1 113 LEU MD2 0.000 . 5.300 4.460 4.443 4.479 . 0 0 "[ . 1 . 2 ]" 1
441 1 50 ASN HD22 1 117 ALA MB 0.000 . 4.800 2.652 2.319 3.198 . 0 0 "[ . 1 . 2 ]" 1
442 1 3 PRO HA 1 50 ASN HD22 0.000 . 4.000 3.524 3.431 3.643 . 0 0 "[ . 1 . 2 ]" 1
443 1 5 VAL HA 1 50 ASN H 0.000 . 5.000 3.810 3.758 3.894 . 0 0 "[ . 1 . 2 ]" 1
444 1 5 VAL MG1 1 50 ASN H 0.000 . 4.800 3.732 3.627 3.854 . 0 0 "[ . 1 . 2 ]" 1
445 1 5 VAL HA 1 51 GLY H 0.000 . 3.200 2.854 2.808 2.896 . 0 0 "[ . 1 . 2 ]" 1
446 1 5 VAL MG1 1 52 LEU H 0.000 . 4.800 4.030 4.022 4.037 . 0 0 "[ . 1 . 2 ]" 1
447 1 52 LEU H 1 77 LEU QB 0.000 . 4.800 3.950 3.629 4.147 . 0 0 "[ . 1 . 2 ]" 1
448 1 52 LEU H 1 78 PRO QB 0.000 . 4.800 4.306 4.283 4.318 . 0 0 "[ . 1 . 2 ]" 1
449 1 52 LEU H 1 78 PRO QD 0.000 . 5.300 4.656 4.076 4.736 . 0 0 "[ . 1 . 2 ]" 1
450 1 52 LEU H 1 79 LEU HA 0.000 . 3.200 3.071 2.952 3.207 0.007 21 0 "[ . 1 . 2 ]" 1
451 1 52 LEU H 1 80 PHE HD1 0.000 . 4.000 3.802 3.609 3.944 . 0 0 "[ . 1 . 2 ]" 1
452 1 52 LEU H 1 80 PHE HE1 0.000 . 4.500 4.180 3.961 4.394 . 0 0 "[ . 1 . 2 ]" 1
453 1 52 LEU H 1 80 PHE H 0.000 . 4.000 3.780 3.668 3.882 . 0 0 "[ . 1 . 2 ]" 1
454 1 53 VAL MG1 1 80 PHE HB2 0.000 . 4.000 2.518 2.399 2.606 . 0 0 "[ . 1 . 2 ]" 1
455 1 7 ILE HA 1 53 VAL H 0.000 . 4.000 3.193 3.030 3.316 . 0 0 "[ . 1 . 2 ]" 1
456 1 54 VAL MG1 1 60 LEU HA 0.000 . 3.500 2.470 2.159 2.868 . 0 0 "[ . 1 . 2 ]" 1
457 1 8 MET QB 1 54 VAL MG1 0.000 . 4.300 2.199 1.958 2.569 . 0 0 "[ . 1 . 2 ]" 1
458 1 8 MET QG 1 54 VAL MG1 0.000 . 4.300 2.512 1.931 2.996 . 0 0 "[ . 1 . 2 ]" 1
459 1 54 VAL MG2 1 82 PRO QD 0.000 . 4.800 2.817 2.055 3.214 . 0 0 "[ . 1 . 2 ]" 1
460 1 54 VAL H 1 80 PHE HB3 0.000 . 4.500 4.497 4.285 4.530 0.030 3 0 "[ . 1 . 2 ]" 1
461 1 54 VAL H 1 80 PHE HB2 0.000 . 4.000 3.371 3.144 3.556 . 0 0 "[ . 1 . 2 ]" 1
462 1 54 VAL H 1 80 PHE H 0.000 . 4.000 3.952 3.873 4.006 0.006 10 0 "[ . 1 . 2 ]" 1
463 1 54 VAL H 1 81 VAL HA 0.000 . 4.000 3.770 3.583 3.891 . 0 0 "[ . 1 . 2 ]" 1
464 1 33 LEU MD1 1 59 GLY H 0.000 . 4.800 4.035 4.022 4.048 . 0 0 "[ . 1 . 2 ]" 1
465 1 5 VAL MG1 1 51 GLY HA3 0.000 . 4.300 2.477 2.322 2.640 . 0 0 "[ . 1 . 2 ]" 1
466 1 5 VAL MG2 1 28 VAL HA 0.000 . 4.000 2.763 2.662 2.920 . 0 0 "[ . 1 . 2 ]" 1
467 1 5 VAL H 1 28 VAL HA 0.000 . 3.600 3.319 3.137 3.437 . 0 0 "[ . 1 . 2 ]" 1
468 1 5 VAL H 1 29 ASP H 0.000 . 4.000 4.010 3.943 4.029 0.029 17 0 "[ . 1 . 2 ]" 1
469 1 54 VAL HB 1 60 LEU H 0.000 . 4.000 3.480 3.276 3.764 . 0 0 "[ . 1 . 2 ]" 1
470 1 54 VAL MG2 1 60 LEU H 0.000 . 4.800 4.019 4.000 4.031 . 0 0 "[ . 1 . 2 ]" 1
471 1 61 GLN HE21 1 89 MET ME 0.000 . 4.000 2.389 2.160 2.740 . 0 0 "[ . 1 . 2 ]" 1
472 1 61 GLN HE21 1 93 LEU MD2 0.000 . 4.300 3.591 3.582 3.636 . 0 0 "[ . 1 . 2 ]" 1
473 1 61 GLN HE22 1 89 MET ME 0.000 . 4.000 3.005 2.456 3.375 . 0 0 "[ . 1 . 2 ]" 1
474 1 61 GLN HE22 1 93 LEU MD2 0.000 . 4.300 2.225 2.127 2.296 . 0 0 "[ . 1 . 2 ]" 1
475 1 33 LEU MD2 1 62 ASN HD21 0.000 . 4.300 2.822 2.088 3.269 . 0 0 "[ . 1 . 2 ]" 1
476 1 8 MET ME 1 62 ASN HD21 0.000 . 4.300 3.432 3.113 3.597 . 0 0 "[ . 1 . 2 ]" 1
477 1 33 LEU MD2 1 62 ASN HD22 0.000 . 4.800 3.923 3.282 4.034 . 0 0 "[ . 1 . 2 ]" 1
478 1 63 LEU MD2 1 71 TRP HH2 0.000 . 4.300 3.369 2.971 3.596 . 0 0 "[ . 1 . 2 ]" 1
479 1 63 LEU MD2 1 71 TRP HZ3 0.000 . 4.000 2.354 2.000 2.644 . 0 0 "[ . 1 . 2 ]" 1
480 1 8 MET ME 1 63 LEU H 0.000 . 4.300 2.249 2.068 2.753 . 0 0 "[ . 1 . 2 ]" 1
481 1 64 TYR HA 1 71 TRP HZ3 0.000 . 4.500 3.628 3.542 3.720 . 0 0 "[ . 1 . 2 ]" 1
482 1 64 TYR HD2 1 71 TRP HD1 0.000 . 5.000 4.979 4.934 4.999 . 0 0 "[ . 1 . 2 ]" 1
483 1 64 TYR HD2 1 71 TRP HE1 0.000 . 4.000 4.045 4.036 4.062 0.062 5 0 "[ . 1 . 2 ]" 1
484 1 64 TYR HD2 1 71 TRP HE3 0.000 . 4.500 4.016 3.972 4.057 . 0 0 "[ . 1 . 2 ]" 1
485 1 64 TYR HD2 1 71 TRP HH2 0.000 . 5.000 3.831 3.780 3.919 . 0 0 "[ . 1 . 2 ]" 1
486 1 64 TYR HD2 1 71 TRP HZ2 0.000 . 4.500 3.494 3.450 3.562 . 0 0 "[ . 1 . 2 ]" 1
487 1 64 TYR HD2 1 71 TRP HZ3 0.000 . 4.500 4.072 4.021 4.145 . 0 0 "[ . 1 . 2 ]" 1
488 1 64 TYR HD2 1 93 LEU HB3 0.000 . 4.000 2.580 2.475 2.694 . 0 0 "[ . 1 . 2 ]" 1
489 1 64 TYR HD2 1 93 LEU HB2 0.000 . 4.500 4.008 3.921 4.120 . 0 0 "[ . 1 . 2 ]" 1
490 1 64 TYR HD2 1 93 LEU MD1 0.000 . 4.300 2.336 2.247 2.427 . 0 0 "[ . 1 . 2 ]" 1
491 1 64 TYR HE2 1 71 TRP HB3 0.000 . 4.500 4.523 4.505 4.535 0.035 21 0 "[ . 1 . 2 ]" 1
492 1 64 TYR HE2 1 71 TRP HB2 0.000 . 4.500 4.427 4.415 4.452 . 0 0 "[ . 1 . 2 ]" 1
493 1 64 TYR HE2 1 71 TRP HD1 0.000 . 3.200 3.127 3.086 3.142 . 0 0 "[ . 1 . 2 ]" 1
494 1 64 TYR HE2 1 71 TRP HE1 0.000 . 3.500 2.432 2.413 2.440 . 0 0 "[ . 1 . 2 ]" 1
495 1 64 TYR HE2 1 71 TRP HE3 0.000 . 5.000 5.031 5.020 5.052 0.052 5 0 "[ . 1 . 2 ]" 1
496 1 64 TYR HE2 1 71 TRP HZ2 0.000 . 4.500 3.734 3.716 3.771 . 0 0 "[ . 1 . 2 ]" 1
497 1 64 TYR HE2 1 93 LEU HA 0.000 . 4.500 3.809 3.694 3.913 . 0 0 "[ . 1 . 2 ]" 1
498 1 64 TYR HE2 1 93 LEU HB3 0.000 . 4.000 2.840 2.823 2.854 . 0 0 "[ . 1 . 2 ]" 1
499 1 64 TYR HE2 1 93 LEU HB2 0.000 . 4.500 4.510 4.501 4.525 0.025 5 0 "[ . 1 . 2 ]" 1
500 1 64 TYR HE2 1 93 LEU MD1 0.000 . 4.800 4.015 4.011 4.018 . 0 0 "[ . 1 . 2 ]" 1
501 1 64 TYR H 1 93 LEU MD1 0.000 . 5.300 3.980 3.773 4.179 . 0 0 "[ . 1 . 2 ]" 1
502 1 40 LEU MD2 1 67 ALA HA 0.000 . 4.800 2.762 2.410 3.117 . 0 0 "[ . 1 . 2 ]" 1
503 1 67 ALA HA 1 74 ILE MD 0.000 . 4.300 2.071 2.056 2.109 . 0 0 "[ . 1 . 2 ]" 1
504 1 67 ALA MB 1 74 ILE MD 0.000 . 4.300 1.789 1.784 1.793 . 0 0 "[ . 1 . 2 ]" 1
505 1 67 ALA H 1 74 ILE MD 0.000 . 5.300 3.808 3.787 3.843 . 0 0 "[ . 1 . 2 ]" 1
506 1 38 GLY QA 1 68 ALA MB 0.000 . 5.600 3.752 3.631 3.861 . 0 0 "[ . 1 . 2 ]" 1
507 1 68 ALA H 1 74 ILE MD 0.000 . 5.800 4.509 4.486 4.531 . 0 0 "[ . 1 . 2 ]" 1
508 1 6 LEU H 1 51 GLY H 0.000 . 4.500 4.319 4.255 4.385 . 0 0 "[ . 1 . 2 ]" 1
509 1 6 LEU H 1 52 LEU HA 0.000 . 3.500 2.688 2.655 2.733 . 0 0 "[ . 1 . 2 ]" 1
510 1 71 TRP HE1 1 93 LEU HA 0.000 . 4.500 4.258 4.158 4.315 . 0 0 "[ . 1 . 2 ]" 1
511 1 71 TRP HE1 1 93 LEU HB3 0.000 . 3.600 3.408 3.283 3.457 . 0 0 "[ . 1 . 2 ]" 1
512 1 71 TRP HE1 1 94 GLY HA3 0.000 . 3.200 3.092 2.879 3.187 . 0 0 "[ . 1 . 2 ]" 1
513 1 64 TYR HA 1 71 TRP HE3 0.000 . 4.000 3.166 3.140 3.210 . 0 0 "[ . 1 . 2 ]" 1
514 1 41 LEU MD1 1 73 GLU H 0.000 . 5.800 4.675 4.480 4.842 . 0 0 "[ . 1 . 2 ]" 1
515 1 40 LEU QB 1 74 ILE MD 0.000 . 4.800 3.342 3.079 3.493 . 0 0 "[ . 1 . 2 ]" 1
516 1 41 LEU HA 1 74 ILE MD 0.000 . 3.500 2.666 2.460 2.879 . 0 0 "[ . 1 . 2 ]" 1
517 1 41 LEU QB 1 74 ILE MD 0.000 . 4.300 2.589 2.389 2.970 . 0 0 "[ . 1 . 2 ]" 1
518 1 41 LEU MD1 1 74 ILE H 0.000 . 5.800 3.726 3.505 4.039 . 0 0 "[ . 1 . 2 ]" 1
519 1 67 ALA MB 1 74 ILE H 0.000 . 5.300 4.305 4.262 4.356 . 0 0 "[ . 1 . 2 ]" 1
520 1 78 PRO HA 1 97 ARG QG 0.000 . 3.500 3.081 2.760 3.176 . 0 0 "[ . 1 . 2 ]" 1
521 1 78 PRO HA 1 99 ILE MD 0.000 . 4.800 3.341 3.173 3.724 . 0 0 "[ . 1 . 2 ]" 1
522 1 79 LEU MD2 1 90 ALA MB 0.000 . 4.300 2.044 1.857 2.358 . 0 0 "[ . 1 . 2 ]" 1
523 1 79 LEU H 1 95 ALA MB 0.000 . 5.300 4.360 4.221 4.421 . 0 0 "[ . 1 . 2 ]" 1
524 1 79 LEU H 1 97 ARG HB3 0.000 . 4.000 3.907 3.781 4.392 0.392 10 0 "[ . 1 . 2 ]" 1
525 1 79 LEU H 1 97 ARG QG 0.000 . 4.300 4.002 3.804 4.220 . 0 0 "[ . 1 . 2 ]" 1
526 1 79 LEU H 1 98 VAL HA 0.000 . 4.000 3.089 2.935 3.271 . 0 0 "[ . 1 . 2 ]" 1
527 1 79 LEU H 1 98 VAL MG1 0.000 . 5.800 4.603 4.405 4.808 . 0 0 "[ . 1 . 2 ]" 1
528 1 79 LEU H 1 99 ILE MD 0.000 . 4.800 3.697 3.512 3.948 . 0 0 "[ . 1 . 2 ]" 1
529 1 79 LEU H 1 99 ILE H 0.000 . 4.000 3.634 3.558 3.700 . 0 0 "[ . 1 . 2 ]" 1
530 1 7 ILE MD 1 18 ALA HA 0.000 . 4.000 2.597 2.057 3.158 . 0 0 "[ . 1 . 2 ]" 1
531 1 7 ILE MD 1 18 ALA MB 0.000 . 4.300 2.234 1.931 2.936 . 0 0 "[ . 1 . 2 ]" 1
532 1 7 ILE MD 1 30 TYR HA 0.000 . 4.000 3.360 3.347 3.377 . 0 0 "[ . 1 . 2 ]" 1
533 1 7 ILE H 1 29 ASP H 0.000 . 4.500 4.074 3.980 4.116 . 0 0 "[ . 1 . 2 ]" 1
534 1 7 ILE H 1 30 TYR HA 0.000 . 4.000 2.270 2.175 2.424 . 0 0 "[ . 1 . 2 ]" 1
535 1 80 PHE HD2 1 99 ILE HB 0.000 . 3.200 3.093 2.974 3.198 . 0 0 "[ . 1 . 2 ]" 1
536 1 51 GLY HA3 1 80 PHE HE1 0.000 . 3.200 3.018 2.700 3.218 0.018 8 0 "[ . 1 . 2 ]" 1
537 1 52 LEU QB 1 80 PHE H 0.000 . 5.300 4.004 3.931 4.106 . 0 0 "[ . 1 . 2 ]" 1
538 1 53 VAL HA 1 80 PHE H 0.000 . 3.200 2.917 2.804 3.045 . 0 0 "[ . 1 . 2 ]" 1
539 1 53 VAL MG2 1 80 PHE H 0.000 . 4.800 3.849 3.665 3.995 . 0 0 "[ . 1 . 2 ]" 1
540 1 54 VAL MG2 1 81 VAL HA 0.000 . 3.500 2.504 2.130 2.793 . 0 0 "[ . 1 . 2 ]" 1
541 1 81 VAL HA 1 86 VAL MG1 0.000 . 4.000 3.036 2.934 3.241 . 0 0 "[ . 1 . 2 ]" 1
542 1 81 VAL MG1 1 90 ALA MB 0.000 . 4.800 2.546 2.312 2.623 . 0 0 "[ . 1 . 2 ]" 1
543 1 81 VAL MG2 1 100 ASP HA 0.000 . 3.500 2.068 2.023 2.155 . 0 0 "[ . 1 . 2 ]" 1
544 1 81 VAL MG2 1 100 ASP QB 0.000 . 4.800 3.189 3.110 3.244 . 0 0 "[ . 1 . 2 ]" 1
545 1 81 VAL MG2 1 87 ALA HA 0.000 . 3.500 2.206 2.090 2.443 . 0 0 "[ . 1 . 2 ]" 1
546 1 81 VAL MG2 1 87 ALA MB 0.000 . 4.300 1.980 1.963 1.994 . 0 0 "[ . 1 . 2 ]" 1
547 1 81 VAL MG2 1 98 VAL MG1 0.000 . 4.300 2.668 2.554 2.822 . 0 0 "[ . 1 . 2 ]" 1
548 1 81 VAL H 1 100 ASP HA 0.000 . 3.200 3.211 3.199 3.225 0.025 10 0 "[ . 1 . 2 ]" 1
549 1 81 VAL H 1 99 ILE HB 0.000 . 4.000 4.011 3.985 4.022 0.022 21 0 "[ . 1 . 2 ]" 1
550 1 81 VAL H 1 99 ILE H 0.000 . 4.000 4.003 3.936 4.019 0.019 13 0 "[ . 1 . 2 ]" 1
551 1 87 ALA MB 1 100 ASP HB2 0.000 . 4.000 3.151 2.889 3.337 . 0 0 "[ . 1 . 2 ]" 1
552 1 87 ALA MB 1 98 VAL MG1 0.000 . 4.300 2.255 2.023 2.482 . 0 0 "[ . 1 . 2 ]" 1
553 1 81 VAL MG2 1 87 ALA H 0.000 . 4.300 2.825 2.546 2.999 . 0 0 "[ . 1 . 2 ]" 1
554 1 57 GLY QA 1 89 MET ME 0.000 . 4.300 3.152 2.209 3.209 . 0 0 "[ . 1 . 2 ]" 1
555 1 60 LEU MD2 1 89 MET ME 0.000 . 4.800 3.078 2.259 3.278 . 0 0 "[ . 1 . 2 ]" 1
556 1 8 MET ME 1 33 LEU MD1 0.000 . 4.300 3.019 3.001 3.037 . 0 0 "[ . 1 . 2 ]" 1
557 1 8 MET ME 1 63 LEU HA 0.000 . 3.500 2.644 2.406 2.918 . 0 0 "[ . 1 . 2 ]" 1
558 1 8 MET ME 1 63 LEU MD1 0.000 . 4.300 2.780 2.512 2.938 . 0 0 "[ . 1 . 2 ]" 1
559 1 8 MET H 1 54 VAL MG1 0.000 . 4.800 3.738 3.489 4.020 . 0 0 "[ . 1 . 2 ]" 1
560 1 91 ARG H 1 98 VAL MG1 0.000 . 4.800 3.738 3.484 3.867 . 0 0 "[ . 1 . 2 ]" 1
561 1 91 ARG H 1 98 VAL MG2 0.000 . 4.300 3.248 2.707 3.375 . 0 0 "[ . 1 . 2 ]" 1
562 1 60 LEU MD1 1 93 LEU MD1 0.000 . 4.800 2.760 2.568 2.899 . 0 0 "[ . 1 . 2 ]" 1
563 1 60 LEU MD2 1 93 LEU MD1 0.000 . 4.300 2.079 1.973 2.351 . 0 0 "[ . 1 . 2 ]" 1
564 1 61 GLN HA 1 93 LEU MD1 0.000 . 4.800 3.314 3.000 3.504 . 0 0 "[ . 1 . 2 ]" 1
565 1 64 TYR HA 1 93 LEU MD1 0.000 . 5.800 4.138 3.969 4.302 . 0 0 "[ . 1 . 2 ]" 1
566 1 64 TYR HB3 1 93 LEU MD1 0.000 . 5.300 3.757 3.631 3.903 . 0 0 "[ . 1 . 2 ]" 1
567 1 64 TYR HB2 1 93 LEU MD1 0.000 . 4.800 2.454 2.313 2.593 . 0 0 "[ . 1 . 2 ]" 1
568 1 71 TRP HH2 1 93 LEU MD1 0.000 . 5.800 3.184 3.032 3.290 . 0 0 "[ . 1 . 2 ]" 1
569 1 71 TRP HZ2 1 93 LEU MD1 0.000 . 4.800 3.416 3.261 3.504 . 0 0 "[ . 1 . 2 ]" 1
570 1 64 TYR HD2 1 93 LEU MD2 0.000 . 4.000 3.070 2.904 3.220 . 0 0 "[ . 1 . 2 ]" 1
571 1 64 TYR HE2 1 93 LEU MD2 0.000 . 4.000 3.333 3.257 3.347 . 0 0 "[ . 1 . 2 ]" 1
572 1 60 LEU MD2 1 93 LEU H 0.000 . 5.800 4.329 3.991 4.838 . 0 0 "[ . 1 . 2 ]" 1
573 1 71 TRP HE1 1 94 GLY H 0.000 . 5.000 4.768 4.591 4.866 . 0 0 "[ . 1 . 2 ]" 1
574 1 71 TRP HZ2 1 94 GLY H 0.000 . 4.000 3.954 3.873 4.003 0.003 14 0 "[ . 1 . 2 ]" 1
575 1 75 GLY HA3 1 95 ALA HA 0.000 . 3.600 3.249 3.108 3.315 . 0 0 "[ . 1 . 2 ]" 1
576 1 75 GLY HA2 1 95 ALA HA 0.000 . 3.600 3.467 3.325 3.625 0.025 8 0 "[ . 1 . 2 ]" 1
577 1 71 TRP HH2 1 95 ALA MB 0.000 . 4.300 3.106 2.971 3.247 . 0 0 "[ . 1 . 2 ]" 1
578 1 71 TRP HZ2 1 95 ALA MB 0.000 . 4.300 3.357 3.230 3.468 . 0 0 "[ . 1 . 2 ]" 1
579 1 75 GLY HA2 1 95 ALA MB 0.000 . 4.800 3.994 3.834 4.010 . 0 0 "[ . 1 . 2 ]" 1
580 1 71 TRP HE1 1 95 ALA H 0.000 . 5.000 4.864 4.562 4.984 . 0 0 "[ . 1 . 2 ]" 1
581 1 71 TRP HH2 1 95 ALA H 0.000 . 4.500 4.528 4.519 4.543 0.043 3 0 "[ . 1 . 2 ]" 1
582 1 71 TRP HZ2 1 95 ALA H 0.000 . 3.500 3.120 2.936 3.190 . 0 0 "[ . 1 . 2 ]" 1
583 1 72 PRO HA 1 96 GLN HE21 0.000 . 4.500 3.705 3.589 4.222 . 0 0 "[ . 1 . 2 ]" 1
584 1 75 GLY HA3 1 96 GLN HE21 0.000 . 4.000 3.955 3.152 4.014 0.014 12 0 "[ . 1 . 2 ]" 1
585 1 76 ARG QD 1 96 GLN HE21 0.000 . 4.800 4.302 3.776 4.374 . 0 0 "[ . 1 . 2 ]" 1
586 1 76 ARG QG 1 96 GLN HE21 0.000 . 4.300 2.840 2.246 2.964 . 0 0 "[ . 1 . 2 ]" 1
587 1 72 PRO HA 1 96 GLN HE22 0.000 . 4.500 4.560 4.553 4.568 0.068 4 0 "[ . 1 . 2 ]" 1
588 1 76 ARG QD 1 96 GLN HE22 0.000 . 4.800 3.124 2.955 4.344 . 0 0 "[ . 1 . 2 ]" 1
589 1 76 ARG QG 1 96 GLN HE22 0.000 . 4.300 2.069 1.905 3.563 . 0 0 "[ . 1 . 2 ]" 1
590 1 75 GLY HA3 1 96 GLN H 0.000 . 4.500 3.555 3.392 3.945 . 0 0 "[ . 1 . 2 ]" 1
591 1 75 GLY HA2 1 96 GLN H 0.000 . 4.500 3.967 3.792 4.412 . 0 0 "[ . 1 . 2 ]" 1
592 1 76 ARG HA 1 96 GLN H 0.000 . 4.000 3.818 3.440 3.968 . 0 0 "[ . 1 . 2 ]" 1
593 1 87 ALA HA 1 98 VAL MG1 0.000 . 3.500 2.522 2.067 2.815 . 0 0 "[ . 1 . 2 ]" 1
594 1 91 ARG HA 1 98 VAL MG2 0.000 . 3.500 2.834 2.663 2.935 . 0 0 "[ . 1 . 2 ]" 1
595 1 80 PHE HE2 1 99 ILE MD 0.000 . 4.000 3.037 2.776 3.144 . 0 0 "[ . 1 . 2 ]" 1
596 1 80 PHE HA 1 99 ILE MG 0.000 . 4.000 3.373 3.364 3.384 . 0 0 "[ . 1 . 2 ]" 1
597 1 80 PHE HD2 1 99 ILE MG 0.000 . 3.500 2.364 2.288 2.458 . 0 0 "[ . 1 . 2 ]" 1
598 1 80 PHE HE2 1 99 ILE MG 0.000 . 4.000 2.890 2.681 3.065 . 0 0 "[ . 1 . 2 ]" 1
599 1 79 LEU HB3 1 99 ILE H 0.000 . 4.000 3.746 3.608 3.918 . 0 0 "[ . 1 . 2 ]" 1
600 1 80 PHE HA 1 99 ILE H 0.000 . 3.600 3.603 3.562 3.624 0.024 21 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 76
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 110 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 114 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 116 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 117 ALA 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 4 LYS H 1 50 ASN OD1 2.200 . 2.600 2.107 2.078 2.127 . 0 0 "[ . 1 . 2 ]" 2
2 1 5 VAL H 1 27 GLN O 2.200 . 2.600 2.250 2.202 2.309 . 0 0 "[ . 1 . 2 ]" 2
3 1 6 LEU H 1 51 GLY O 2.200 . 2.600 2.340 2.296 2.422 . 0 0 "[ . 1 . 2 ]" 2
4 1 7 ILE H 1 29 ASP O 2.200 . 2.600 2.056 2.026 2.108 . 0 0 "[ . 1 . 2 ]" 2
5 1 8 MET H 1 53 VAL O 2.200 . 2.600 2.158 2.063 2.244 . 0 0 "[ . 1 . 2 ]" 2
6 1 13 GLY O 1 17 LEU H 2.200 . 2.600 2.331 2.239 2.401 . 0 0 "[ . 1 . 2 ]" 2
7 1 14 ARG O 1 18 ALA H 2.200 . 2.600 2.204 2.005 2.363 . 0 0 "[ . 1 . 2 ]" 2
8 1 15 GLU O 1 19 GLU H 2.200 . 2.600 2.075 2.007 2.210 . 0 0 "[ . 1 . 2 ]" 2
9 1 16 PHE O 1 20 ARG H 2.200 . 2.600 2.314 2.164 2.431 . 0 0 "[ . 1 . 2 ]" 2
10 1 17 LEU O 1 21 LEU H 2.200 . 2.600 2.333 2.246 2.423 . 0 0 "[ . 1 . 2 ]" 2
11 1 18 ALA O 1 22 ARG H 2.200 . 2.600 2.056 1.947 2.134 . 0 0 "[ . 1 . 2 ]" 2
12 1 19 GLU O 1 23 GLY H 2.200 . 2.600 2.053 2.007 2.118 . 0 0 "[ . 1 . 2 ]" 2
13 1 20 ARG O 1 24 GLN H 2.200 . 2.600 2.480 2.438 2.544 . 0 0 "[ . 1 . 2 ]" 2
14 1 22 ARG O 1 25 GLY H 2.200 . 2.600 1.965 1.945 1.986 . 0 0 "[ . 1 . 2 ]" 2
15 1 21 LEU O 1 26 VAL H 2.200 . 2.600 2.142 2.049 2.196 . 0 0 "[ . 1 . 2 ]" 2
16 1 3 PRO O 1 27 GLN H 2.200 . 2.600 2.118 2.062 2.143 . 0 0 "[ . 1 . 2 ]" 2
17 1 2 ASP O 1 27 GLN HE21 2.200 . 2.600 2.222 2.194 2.259 . 0 0 "[ . 1 . 2 ]" 2
18 1 5 VAL O 1 29 ASP H 2.200 . 2.600 2.345 2.300 2.371 . 0 0 "[ . 1 . 2 ]" 2
19 1 7 ILE O 1 31 LEU H 2.200 . 2.600 2.191 2.086 2.254 . 0 0 "[ . 1 . 2 ]" 2
20 1 32 PRO O 1 35 TYR H 2.200 . 2.600 2.239 2.207 2.279 . 0 0 "[ . 1 . 2 ]" 2
21 1 38 GLY H 1 66 LEU O 2.200 . 2.600 2.176 2.149 2.204 . 0 0 "[ . 1 . 2 ]" 2
22 1 36 PRO O 1 39 GLU H 2.200 . 2.600 2.351 2.310 2.428 . 0 0 "[ . 1 . 2 ]" 2
23 1 38 GLY O 1 42 ALA H 2.200 . 2.600 2.296 2.224 2.333 . 0 0 "[ . 1 . 2 ]" 2
24 1 39 GLU O 1 43 ARG H 2.200 . 2.600 2.141 2.086 2.268 . 0 0 "[ . 1 . 2 ]" 2
25 1 40 LEU O 1 44 VAL H 2.200 . 2.600 2.202 2.174 2.230 . 0 0 "[ . 1 . 2 ]" 2
26 1 41 LEU O 1 45 ARG H 2.200 . 2.600 2.187 2.148 2.233 . 0 0 "[ . 1 . 2 ]" 2
27 1 42 ALA O 1 46 ALA H 2.200 . 2.600 2.054 1.973 2.106 . 0 0 "[ . 1 . 2 ]" 2
28 1 43 ARG O 1 47 GLU H 2.200 . 2.600 2.081 2.032 2.187 . 0 0 "[ . 1 . 2 ]" 2
29 1 44 VAL O 1 49 LEU H 2.200 . 2.600 2.263 2.193 2.317 . 0 0 "[ . 1 . 2 ]" 2
30 1 4 LYS O 1 50 ASN H 2.200 . 2.600 1.995 1.967 2.051 . 0 0 "[ . 1 . 2 ]" 2
31 1 4 LYS O 1 51 GLY H 2.200 . 2.600 2.413 2.376 2.456 . 0 0 "[ . 1 . 2 ]" 2
32 1 52 LEU H 1 78 PRO O 2.200 . 2.600 2.219 2.154 2.289 . 0 0 "[ . 1 . 2 ]" 2
33 1 6 LEU O 1 53 VAL H 2.200 . 2.600 2.108 2.060 2.190 . 0 0 "[ . 1 . 2 ]" 2
34 1 54 VAL H 1 80 PHE O 2.200 . 2.600 2.274 2.202 2.339 . 0 0 "[ . 1 . 2 ]" 2
35 1 56 SER O 1 60 LEU H 2.200 . 2.600 2.260 2.233 2.288 . 0 0 "[ . 1 . 2 ]" 2
36 1 57 GLY O 1 61 GLN H 2.200 . 2.600 2.108 2.055 2.188 . 0 0 "[ . 1 . 2 ]" 2
37 1 58 GLN O 1 62 ASN H 2.200 . 2.600 2.181 2.113 2.235 . 0 0 "[ . 1 . 2 ]" 2
38 1 59 GLY O 1 63 LEU H 2.200 . 2.600 2.080 1.992 2.150 . 0 0 "[ . 1 . 2 ]" 2
39 1 60 LEU O 1 64 TYR H 2.200 . 2.600 2.269 2.231 2.339 . 0 0 "[ . 1 . 2 ]" 2
40 1 61 GLN O 1 65 GLN H 2.200 . 2.600 2.207 2.147 2.271 . 0 0 "[ . 1 . 2 ]" 2
41 1 62 ASN O 1 66 LEU H 2.200 . 2.600 2.059 2.013 2.084 . 0 0 "[ . 1 . 2 ]" 2
42 1 63 LEU O 1 67 ALA H 2.200 . 2.600 2.050 2.004 2.115 . 0 0 "[ . 1 . 2 ]" 2
43 1 64 TYR O 1 68 ALA H 2.200 . 2.600 2.263 2.232 2.278 . 0 0 "[ . 1 . 2 ]" 2
44 1 67 ALA O 1 70 ASP H 2.200 . 2.600 2.280 2.253 2.333 . 0 0 "[ . 1 . 2 ]" 2
45 1 68 ALA O 1 71 TRP H 2.200 . 2.600 2.144 2.119 2.176 . 0 0 "[ . 1 . 2 ]" 2
46 1 71 TRP HE1 1 93 LEU O 2.200 . 2.600 2.086 2.048 2.120 . 0 0 "[ . 1 . 2 ]" 2
47 1 70 ASP O 1 73 GLU H 2.200 . 2.600 2.098 2.079 2.117 . 0 0 "[ . 1 . 2 ]" 2
48 1 70 ASP O 1 74 ILE H 2.200 . 2.600 2.255 2.222 2.276 . 0 0 "[ . 1 . 2 ]" 2
49 1 71 TRP O 1 75 GLY H 2.200 . 2.600 1.915 1.888 1.950 . 0 0 "[ . 1 . 2 ]" 2
50 1 73 GLU O 1 76 ARG H 2.200 . 2.600 2.112 2.092 2.141 . 0 0 "[ . 1 . 2 ]" 2
51 1 74 ILE O 1 77 LEU H 2.200 . 2.600 2.092 2.022 2.206 . 0 0 "[ . 1 . 2 ]" 2
52 1 79 LEU H 1 97 ARG O 2.200 . 2.600 2.280 2.236 2.409 . 0 0 "[ . 1 . 2 ]" 2
53 1 52 LEU O 1 80 PHE H 2.200 . 2.600 1.996 1.936 2.039 . 0 0 "[ . 1 . 2 ]" 2
54 1 81 VAL H 1 99 ILE O 2.200 . 2.600 2.089 2.059 2.104 . 0 0 "[ . 1 . 2 ]" 2
55 1 83 SER OG 1 86 VAL H 2.200 . 2.600 2.273 2.247 2.334 . 0 0 "[ . 1 . 2 ]" 2
56 1 83 SER O 1 87 ALA H 2.200 . 2.600 2.149 2.125 2.184 . 0 0 "[ . 1 . 2 ]" 2
57 1 84 PRO O 1 88 GLU H 2.200 . 2.600 2.086 2.063 2.106 . 0 0 "[ . 1 . 2 ]" 2
58 1 85 ARG O 1 89 MET H 2.200 . 2.600 2.299 2.260 2.363 . 0 0 "[ . 1 . 2 ]" 2
59 1 86 VAL O 1 90 ALA H 2.200 . 2.600 2.181 2.075 2.241 . 0 0 "[ . 1 . 2 ]" 2
60 1 87 ALA O 1 91 ARG H 2.200 . 2.600 2.142 2.113 2.182 . 0 0 "[ . 1 . 2 ]" 2
61 1 88 GLU O 1 92 GLU H 2.200 . 2.600 2.130 2.084 2.423 . 0 0 "[ . 1 . 2 ]" 2
62 1 89 MET O 1 93 LEU H 2.200 . 2.600 2.312 2.023 2.389 . 0 0 "[ . 1 . 2 ]" 2
63 1 91 ARG O 1 94 GLY H 2.200 . 2.600 1.981 1.966 2.024 . 0 0 "[ . 1 . 2 ]" 2
64 1 90 ALA O 1 95 ALA H 2.200 . 2.600 2.206 2.173 2.319 . 0 0 "[ . 1 . 2 ]" 2
65 1 75 GLY O 1 96 GLN H 2.200 . 2.600 2.181 2.147 2.211 . 0 0 "[ . 1 . 2 ]" 2
66 1 79 LEU O 1 99 ILE H 2.200 . 2.600 2.049 2.015 2.078 . 0 0 "[ . 1 . 2 ]" 2
67 1 81 VAL O 1 101 CYS H 2.200 . 2.600 2.245 2.166 2.369 . 0 0 "[ . 1 . 2 ]" 2
68 1 105 SER O 1 109 LEU H 2.200 . 2.600 2.142 2.004 2.169 . 0 0 "[ . 1 . 2 ]" 2
69 1 106 ALA O 1 110 LEU H 2.200 . 2.600 2.280 2.257 2.359 . 0 0 "[ . 1 . 2 ]" 2
70 1 107 PRO O 1 111 ALA H 2.200 . 2.600 2.223 2.204 2.247 . 0 0 "[ . 1 . 2 ]" 2
71 1 108 ALA O 1 112 ALA H 2.200 . 2.600 2.148 2.078 2.178 . 0 0 "[ . 1 . 2 ]" 2
72 1 109 LEU O 1 113 LEU H 2.200 . 2.600 2.161 2.127 2.199 . 0 0 "[ . 1 . 2 ]" 2
73 1 110 LEU O 1 114 THR H 2.200 . 2.600 2.334 2.303 2.374 . 0 0 "[ . 1 . 2 ]" 2
74 1 111 ALA O 1 115 SER H 2.200 . 2.600 2.097 2.032 2.137 . 0 0 "[ . 1 . 2 ]" 2
75 1 112 ALA O 1 116 ALA H 2.200 . 2.600 2.067 2.020 2.100 . 0 0 "[ . 1 . 2 ]" 2
76 1 113 LEU O 1 117 ALA H 2.200 . 2.600 2.227 2.180 2.284 . 0 0 "[ . 1 . 2 ]" 2
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