NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595852 |
2myv   |
25459 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2myv
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 1213
_Distance_constraint_stats_list.Viol_count 2446
_Distance_constraint_stats_list.Viol_total 3060.206
_Distance_constraint_stats_list.Viol_max 0.343
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0626
_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 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.122 0.065 18 0 "[ . 1 . 2]"
1 22 GLU 0.122 0.065 18 0 "[ . 1 . 2]"
1 23 ASN 0.566 0.111 7 0 "[ . 1 . 2]"
1 24 LEU 1.900 0.185 12 0 "[ . 1 . 2]"
1 25 TYR 0.850 0.185 12 0 "[ . 1 . 2]"
1 26 PHE 1.223 0.172 6 0 "[ . 1 . 2]"
1 27 GLN 0.892 0.149 2 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 MET 0.256 0.070 6 0 "[ . 1 . 2]"
1 31 ALA 0.338 0.070 6 0 "[ . 1 . 2]"
1 32 TRP 5.800 0.172 16 0 "[ . 1 . 2]"
1 33 LYS 5.117 0.145 10 0 "[ . 1 . 2]"
1 34 ASP 7.987 0.149 13 0 "[ . 1 . 2]"
1 35 CYS 5.229 0.197 15 0 "[ . 1 . 2]"
1 36 ILE 4.591 0.157 10 0 "[ . 1 . 2]"
1 37 ILE 1.679 0.115 10 0 "[ . 1 . 2]"
1 38 GLN 1.828 0.129 6 0 "[ . 1 . 2]"
1 39 ARG 4.125 0.156 15 0 "[ . 1 . 2]"
1 40 TYR 1.853 0.090 6 0 "[ . 1 . 2]"
1 41 LYS 9.195 0.165 14 0 "[ . 1 . 2]"
1 42 ASP 5.529 0.153 18 0 "[ . 1 . 2]"
1 43 GLY 1.601 0.083 16 0 "[ . 1 . 2]"
1 44 ASP 5.679 0.163 13 0 "[ . 1 . 2]"
1 45 VAL 3.301 0.120 20 0 "[ . 1 . 2]"
1 46 ASN 6.913 0.179 4 0 "[ . 1 . 2]"
1 47 ASN 7.058 0.156 15 0 "[ . 1 . 2]"
1 48 ILE 1.860 0.166 10 0 "[ . 1 . 2]"
1 49 TYR 0.770 0.166 10 0 "[ . 1 . 2]"
1 50 THR 2.969 0.121 17 0 "[ . 1 . 2]"
1 51 ALA 1.641 0.110 17 0 "[ . 1 . 2]"
1 52 ASN 1.289 0.116 15 0 "[ . 1 . 2]"
1 53 ARG 5.166 0.167 7 0 "[ . 1 . 2]"
1 54 ASN 4.970 0.181 8 0 "[ . 1 . 2]"
1 55 GLU 5.063 0.174 14 0 "[ . 1 . 2]"
1 56 GLU 2.432 0.103 18 0 "[ . 1 . 2]"
1 57 ILE 3.469 0.097 1 0 "[ . 1 . 2]"
1 58 THR 5.976 0.145 11 0 "[ . 1 . 2]"
1 59 ILE 4.011 0.145 11 0 "[ . 1 . 2]"
1 60 GLU 0.143 0.035 4 0 "[ . 1 . 2]"
1 61 GLU 2.760 0.110 18 0 "[ . 1 . 2]"
1 62 TYR 1.864 0.074 4 0 "[ . 1 . 2]"
1 63 LYS 6.997 0.343 3 0 "[ . 1 . 2]"
1 64 VAL 4.581 0.182 18 0 "[ . 1 . 2]"
1 65 PHE 1.109 0.088 8 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 5.120 0.138 6 0 "[ . 1 . 2]"
1 68 GLU 4.712 0.138 6 0 "[ . 1 . 2]"
1 69 ALA 2.204 0.104 14 0 "[ . 1 . 2]"
1 70 CYS 3.987 0.207 14 0 "[ . 1 . 2]"
1 71 HIS 2.254 0.207 14 0 "[ . 1 . 2]"
1 72 PRO 0.561 0.039 10 0 "[ . 1 . 2]"
1 73 TYR 0.048 0.043 13 0 "[ . 1 . 2]"
1 74 PRO 0.372 0.135 10 0 "[ . 1 . 2]"
1 75 VAL 0.276 0.039 6 0 "[ . 1 . 2]"
1 76 ILE 5.098 0.136 20 0 "[ . 1 . 2]"
1 77 LEU 1.944 0.136 20 0 "[ . 1 . 2]"
1 78 PRO 2.703 0.115 16 0 "[ . 1 . 2]"
1 79 ASP 2.551 0.095 19 0 "[ . 1 . 2]"
1 80 ARG 4.101 0.153 11 0 "[ . 1 . 2]"
1 81 SER 4.150 0.165 14 0 "[ . 1 . 2]"
1 82 VAL 0.829 0.055 1 0 "[ . 1 . 2]"
1 83 LEU 1.886 0.105 20 0 "[ . 1 . 2]"
1 84 SER 2.129 0.129 6 0 "[ . 1 . 2]"
1 85 GLY 1.000 0.072 7 0 "[ . 1 . 2]"
1 86 ASP 4.431 0.132 18 0 "[ . 1 . 2]"
1 87 PHE 8.816 0.197 15 0 "[ . 1 . 2]"
1 88 THR 2.535 0.146 14 0 "[ . 1 . 2]"
1 89 SER 1.600 0.250 16 0 "[ . 1 . 2]"
1 90 ALA 5.119 0.161 14 0 "[ . 1 . 2]"
1 91 TYR 6.695 0.161 14 0 "[ . 1 . 2]"
1 92 ALA 1.392 0.137 7 0 "[ . 1 . 2]"
1 93 ASP 1.304 0.242 13 0 "[ . 1 . 2]"
1 94 ASP 0.563 0.137 7 0 "[ . 1 . 2]"
1 95 ASP 0.575 0.181 8 0 "[ . 1 . 2]"
1 96 GLU 3.193 0.181 8 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 32 TRP HB2 1 36 ILE MD 3.800 . 5.800 4.486 4.079 4.667 . 0 0 "[ . 1 . 2]" 1
2 1 32 TRP HZ3 1 50 THR HB 3.100 . 4.400 2.908 2.546 3.364 . 0 0 "[ . 1 . 2]" 1
3 1 32 TRP HE3 1 36 ILE HG13 3.300 . 4.800 3.194 2.761 3.647 . 0 0 "[ . 1 . 2]" 1
4 1 32 TRP HD1 1 88 THR MG 3.600 . 5.400 4.415 3.910 4.511 . 0 0 "[ . 1 . 2]" 1
5 1 32 TRP HZ3 1 92 ALA MB 3.600 . 5.400 4.270 3.847 4.502 . 0 0 "[ . 1 . 2]" 1
6 1 32 TRP HB3 1 32 TRP HD1 2.700 . 3.600 3.745 3.717 3.772 0.172 16 0 "[ . 1 . 2]" 1
7 1 32 TRP HH2 1 36 ILE MD 3.800 . 5.800 3.432 3.206 3.546 . 0 0 "[ . 1 . 2]" 1
8 1 32 TRP HZ3 1 36 ILE HG13 3.300 . 4.800 2.563 2.380 2.837 . 0 0 "[ . 1 . 2]" 1
9 1 32 TRP HZ3 1 50 THR MG 3.600 . 5.400 2.864 2.366 3.200 . 0 0 "[ . 1 . 2]" 1
10 1 32 TRP HE3 1 88 THR MG 3.600 . 5.400 2.415 2.262 2.759 . 0 0 "[ . 1 . 2]" 1
11 1 32 TRP HB3 1 36 ILE MD 3.600 . 5.400 4.009 3.475 4.225 . 0 0 "[ . 1 . 2]" 1
12 1 32 TRP HB2 1 88 THR MG 3.600 . 5.400 2.100 1.910 2.254 . 0 0 "[ . 1 . 2]" 1
13 1 32 TRP HE3 1 50 THR HB 2.700 . 3.600 2.228 2.129 2.310 . 0 0 "[ . 1 . 2]" 1
14 1 32 TRP HB3 1 88 THR MG 3.600 . 5.400 2.058 1.820 2.392 . 0 0 "[ . 1 . 2]" 1
15 1 32 TRP HE3 1 36 ILE MD 3.600 . 5.400 2.319 2.105 2.590 . 0 0 "[ . 1 . 2]" 1
16 1 32 TRP HB2 1 32 TRP HE3 2.700 . 3.600 3.579 3.382 3.744 0.144 15 0 "[ . 1 . 2]" 1
17 1 32 TRP HZ2 1 36 ILE MD 3.800 . 5.800 4.691 4.155 4.800 . 0 0 "[ . 1 . 2]" 1
18 1 32 TRP HE3 1 50 THR HA 3.100 . 4.400 4.462 4.404 4.521 0.121 17 0 "[ . 1 . 2]" 1
19 1 32 TRP HB2 1 32 TRP HD1 2.700 . 3.600 3.000 2.698 3.190 . 0 0 "[ . 1 . 2]" 1
20 1 32 TRP HZ3 1 48 ILE MG 3.200 . 4.600 2.365 2.129 2.675 . 0 0 "[ . 1 . 2]" 1
21 1 32 TRP HZ3 1 36 ILE MD 3.600 . 5.400 2.194 2.008 2.540 . 0 0 "[ . 1 . 2]" 1
22 1 32 TRP HZ3 1 88 THR MG 3.600 . 5.400 3.907 3.696 4.275 . 0 0 "[ . 1 . 2]" 1
23 1 32 TRP HB3 1 32 TRP HE3 2.700 . 3.600 2.384 2.121 2.538 . 0 0 "[ . 1 . 2]" 1
24 1 32 TRP HZ2 1 50 THR MG 3.800 . 5.800 4.811 4.762 4.886 . 0 0 "[ . 1 . 2]" 1
25 1 32 TRP HZ2 1 48 ILE MG 3.200 . 4.600 3.813 3.750 3.875 . 0 0 "[ . 1 . 2]" 1
26 1 32 TRP HZ2 1 92 ALA MB 3.800 . 5.800 4.115 3.228 4.659 . 0 0 "[ . 1 . 2]" 1
27 1 32 TRP HE3 1 48 ILE MG 3.800 . 5.800 4.329 4.095 4.667 . 0 0 "[ . 1 . 2]" 1
28 1 32 TRP HH2 1 48 ILE MG 3.600 . 5.400 1.905 1.864 1.974 . 0 0 "[ . 1 . 2]" 1
29 1 33 LYS QD 1 51 ALA HA 3.550 . 5.300 3.235 1.904 4.458 . 0 0 "[ . 1 . 2]" 1
30 1 33 LYS HD3 1 52 ASN HA 3.100 . 4.400 4.235 3.528 4.516 0.116 15 0 "[ . 1 . 2]" 1
31 1 33 LYS HB2 1 33 LYS HG3 2.300 . 2.800 2.411 2.290 2.597 . 0 0 "[ . 1 . 2]" 1
32 1 34 ASP HA 1 34 ASP HB2 2.300 . 2.800 2.854 2.623 2.946 0.146 17 0 "[ . 1 . 2]" 1
33 1 34 ASP HA 1 88 THR HB 3.100 . 4.400 3.900 3.634 4.383 . 0 0 "[ . 1 . 2]" 1
34 1 34 ASP HB3 1 53 ARG HG3 2.700 . 3.600 3.691 3.664 3.729 0.129 10 0 "[ . 1 . 2]" 1
35 1 34 ASP HB3 1 53 ARG HB3 2.700 . 3.600 3.318 2.941 3.617 0.017 14 0 "[ . 1 . 2]" 1
36 1 34 ASP HA 1 88 THR MG 3.800 . 5.800 4.854 4.790 4.916 . 0 0 "[ . 1 . 2]" 1
37 1 34 ASP HB2 1 52 ASN HA 2.700 . 3.600 2.360 1.970 2.963 . 0 0 "[ . 1 . 2]" 1
38 1 34 ASP HB2 1 53 ARG HG3 3.100 . 4.400 3.612 3.421 4.001 . 0 0 "[ . 1 . 2]" 1
39 1 34 ASP HB2 1 53 ARG HB3 3.100 . 4.400 4.132 3.584 4.464 0.064 4 0 "[ . 1 . 2]" 1
40 1 34 ASP HA 1 34 ASP HB3 2.300 . 2.800 2.751 2.553 2.949 0.149 13 0 "[ . 1 . 2]" 1
41 1 35 CYS HB2 1 51 ALA MB 3.600 . 5.400 2.952 2.759 3.206 . 0 0 "[ . 1 . 2]" 1
42 1 35 CYS HA 1 88 THR MG 3.800 . 5.800 4.791 4.521 4.884 . 0 0 "[ . 1 . 2]" 1
43 1 35 CYS HB2 1 87 PHE HA 3.300 . 4.800 4.956 4.929 4.997 0.197 15 0 "[ . 1 . 2]" 1
44 1 35 CYS HA 1 35 CYS HB2 2.700 . 3.600 2.979 2.967 2.989 . 0 0 "[ . 1 . 2]" 1
45 1 35 CYS HB3 1 70 CYS HB2 3.300 . 4.800 3.745 3.626 3.898 . 0 0 "[ . 1 . 2]" 1
46 1 35 CYS HB3 1 70 CYS HA 3.300 . 4.800 2.398 2.264 2.518 . 0 0 "[ . 1 . 2]" 1
47 1 35 CYS HA 1 70 CYS HA 3.100 . 4.400 4.260 4.163 4.405 0.005 18 0 "[ . 1 . 2]" 1
48 1 35 CYS HB3 1 37 ILE MD 3.200 . 4.600 2.766 2.641 2.879 . 0 0 "[ . 1 . 2]" 1
49 1 35 CYS HB2 1 37 ILE MD 3.200 . 4.600 3.325 3.020 3.516 . 0 0 "[ . 1 . 2]" 1
50 1 35 CYS HA 1 87 PHE HB3 3.100 . 4.400 4.393 4.284 4.468 0.068 15 0 "[ . 1 . 2]" 1
51 1 35 CYS HB3 1 87 PHE HA 3.300 . 4.800 3.975 3.894 4.044 . 0 0 "[ . 1 . 2]" 1
52 1 35 CYS HA 1 87 PHE QD 4.150 . 6.500 4.520 4.353 4.630 . 0 0 "[ . 1 . 2]" 1
53 1 35 CYS HA 1 87 PHE HA 2.300 . 2.800 2.162 2.095 2.262 . 0 0 "[ . 1 . 2]" 1
54 1 35 CYS HA 1 70 CYS HB3 3.300 . 4.800 2.796 2.524 3.048 . 0 0 "[ . 1 . 2]" 1
55 1 35 CYS HA 1 37 ILE MD 3.600 . 5.400 4.414 4.165 4.462 . 0 0 "[ . 1 . 2]" 1
56 1 35 CYS HB3 1 51 ALA MB 3.600 . 5.400 4.021 3.780 4.215 . 0 0 "[ . 1 . 2]" 1
57 1 35 CYS HB3 1 66 VAL MG2 3.800 . 5.800 4.188 4.093 4.407 . 0 0 "[ . 1 . 2]" 1
58 1 35 CYS HA 1 70 CYS HB2 3.300 . 4.800 4.043 3.850 4.243 . 0 0 "[ . 1 . 2]" 1
59 1 35 CYS HA 1 35 CYS HB3 2.700 . 3.600 2.446 2.431 2.474 . 0 0 "[ . 1 . 2]" 1
60 1 35 CYS HB2 1 70 CYS HA 3.300 . 4.800 3.473 3.332 3.616 . 0 0 "[ . 1 . 2]" 1
61 1 35 CYS HB2 1 66 VAL MG2 3.800 . 5.800 3.894 3.748 4.084 . 0 0 "[ . 1 . 2]" 1
62 1 36 ILE MG 1 91 TYR HB2 3.600 . 5.400 2.420 2.192 2.649 . 0 0 "[ . 1 . 2]" 1
63 1 36 ILE MD 1 88 THR MG 3.700 . 5.600 1.848 1.815 1.898 . 0 0 "[ . 1 . 2]" 1
64 1 36 ILE HG13 1 38 GLN HG2 3.300 . 4.800 4.814 4.644 4.848 0.048 7 0 "[ . 1 . 2]" 1
65 1 36 ILE MD 1 91 TYR QE 4.700 . 7.600 4.563 3.979 4.978 . 0 0 "[ . 1 . 2]" 1
66 1 36 ILE MD 1 88 THR HA 2.800 . 3.800 2.905 2.737 3.012 . 0 0 "[ . 1 . 2]" 1
67 1 36 ILE MG 1 91 TYR QE 4.700 . 7.600 3.544 3.388 3.740 . 0 0 "[ . 1 . 2]" 1
68 1 36 ILE MD 1 91 TYR QD 4.650 . 7.500 3.014 2.483 3.530 . 0 0 "[ . 1 . 2]" 1
69 1 36 ILE HA 1 37 ILE HB 3.300 . 4.800 4.482 4.274 4.600 . 0 0 "[ . 1 . 2]" 1
70 1 36 ILE HA 1 50 THR MG 3.600 . 5.400 4.091 3.999 4.170 . 0 0 "[ . 1 . 2]" 1
71 1 36 ILE MD 1 91 TYR HB3 3.800 . 5.800 2.170 1.906 2.772 . 0 0 "[ . 1 . 2]" 1
72 1 36 ILE HA 1 36 ILE MD 3.800 . 5.800 3.520 3.418 3.586 . 0 0 "[ . 1 . 2]" 1
73 1 36 ILE MD 1 50 THR MG 3.700 . 5.600 3.717 3.652 3.767 . 0 0 "[ . 1 . 2]" 1
74 1 36 ILE MG 1 91 TYR QD 4.850 . 7.900 2.795 2.444 3.018 . 0 0 "[ . 1 . 2]" 1
75 1 36 ILE MG 1 38 GLN HG3 3.600 . 5.400 3.384 3.071 3.686 . 0 0 "[ . 1 . 2]" 1
76 1 36 ILE MD 1 36 ILE MG 3.100 . 4.400 2.085 1.951 2.266 . 0 0 "[ . 1 . 2]" 1
77 1 36 ILE MD 1 38 GLN HG2 3.800 . 5.800 4.331 4.142 4.538 . 0 0 "[ . 1 . 2]" 1
78 1 36 ILE MD 1 91 TYR HB2 3.800 . 5.800 2.835 2.595 3.304 . 0 0 "[ . 1 . 2]" 1
79 1 36 ILE MD 1 50 THR HB 3.600 . 5.400 3.137 2.960 3.276 . 0 0 "[ . 1 . 2]" 1
80 1 36 ILE HA 1 36 ILE MG 3.200 . 4.600 3.206 3.188 3.217 . 0 0 "[ . 1 . 2]" 1
81 1 36 ILE MD 1 48 ILE MG 3.700 . 5.600 2.981 2.233 3.624 . 0 0 "[ . 1 . 2]" 1
82 1 36 ILE MD 1 50 THR HA 3.800 . 5.800 4.643 4.487 4.822 . 0 0 "[ . 1 . 2]" 1
83 1 36 ILE MG 1 38 GLN HG2 3.800 . 5.800 4.233 2.830 4.679 . 0 0 "[ . 1 . 2]" 1
84 1 36 ILE HB 1 91 TYR QE 4.150 . 6.500 6.058 5.809 6.159 . 0 0 "[ . 1 . 2]" 1
85 1 36 ILE MD 1 88 THR HB 3.600 . 5.400 4.427 4.373 4.464 . 0 0 "[ . 1 . 2]" 1
86 1 36 ILE MG 1 50 THR HB 3.600 . 5.400 4.639 4.609 4.687 . 0 0 "[ . 1 . 2]" 1
87 1 36 ILE MG 1 88 THR HA 2.800 . 3.800 2.451 2.236 2.688 . 0 0 "[ . 1 . 2]" 1
88 1 37 ILE MD 1 72 PRO HD2 3.800 . 5.800 3.767 3.515 4.711 . 0 0 "[ . 1 . 2]" 1
89 1 37 ILE MG 1 49 TYR QD 4.250 . 6.700 3.031 2.257 3.561 . 0 0 "[ . 1 . 2]" 1
90 1 37 ILE HB 1 49 TYR HB2 3.100 . 4.400 2.078 1.950 2.419 . 0 0 "[ . 1 . 2]" 1
91 1 37 ILE HA 1 37 ILE HB 2.700 . 3.600 3.025 3.005 3.036 . 0 0 "[ . 1 . 2]" 1
92 1 37 ILE MG 1 49 TYR HB2 3.600 . 5.400 3.106 2.602 3.233 . 0 0 "[ . 1 . 2]" 1
93 1 37 ILE HB 1 37 ILE HG12 2.700 . 3.600 2.405 2.367 2.433 . 0 0 "[ . 1 . 2]" 1
94 1 37 ILE MD 1 72 PRO HD3 3.600 . 5.400 2.246 1.950 3.232 . 0 0 "[ . 1 . 2]" 1
95 1 37 ILE MG 1 85 GLY HA2 3.600 . 5.400 3.579 3.248 4.086 . 0 0 "[ . 1 . 2]" 1
96 1 37 ILE MG 1 49 TYR QE 4.700 . 7.600 4.623 3.873 5.145 . 0 0 "[ . 1 . 2]" 1
97 1 37 ILE HB 1 49 TYR QE 4.150 . 6.500 5.732 5.312 5.969 . 0 0 "[ . 1 . 2]" 1
98 1 37 ILE HB 1 50 THR HA 3.300 . 4.800 3.668 3.544 3.855 . 0 0 "[ . 1 . 2]" 1
99 1 37 ILE HA 1 37 ILE MD 2.800 . 3.800 2.248 2.101 2.572 . 0 0 "[ . 1 . 2]" 1
100 1 37 ILE MD 1 85 GLY HA3 3.600 . 5.400 2.594 2.286 3.051 . 0 0 "[ . 1 . 2]" 1
101 1 37 ILE HA 1 85 GLY HA3 3.100 . 4.400 3.669 3.231 4.161 . 0 0 "[ . 1 . 2]" 1
102 1 37 ILE MD 1 85 GLY HA2 3.200 . 4.600 2.409 2.166 2.710 . 0 0 "[ . 1 . 2]" 1
103 1 37 ILE HA 1 37 ILE MG 3.200 . 4.600 2.402 2.306 2.645 . 0 0 "[ . 1 . 2]" 1
104 1 37 ILE MG 1 49 TYR HB3 3.600 . 5.400 4.382 3.991 4.458 . 0 0 "[ . 1 . 2]" 1
105 1 37 ILE HA 1 85 GLY HA2 2.700 . 3.600 2.333 2.164 2.585 . 0 0 "[ . 1 . 2]" 1
106 1 37 ILE HB 1 49 TYR QD 3.350 . 4.900 3.570 3.071 3.876 . 0 0 "[ . 1 . 2]" 1
107 1 38 GLN HB3 1 48 ILE MD 3.600 . 5.400 3.765 2.896 4.415 . 0 0 "[ . 1 . 2]" 1
108 1 38 GLN HB3 1 40 TYR QE 3.750 . 5.700 2.835 2.372 3.881 . 0 0 "[ . 1 . 2]" 1
109 1 38 GLN HB2 1 40 TYR QD 3.750 . 5.700 3.451 2.698 3.978 . 0 0 "[ . 1 . 2]" 1
110 1 38 GLN HB2 1 38 GLN HG3 2.300 . 2.800 2.396 2.324 2.517 . 0 0 "[ . 1 . 2]" 1
111 1 38 GLN HB2 1 40 TYR QE 3.750 . 5.700 2.374 2.078 3.191 . 0 0 "[ . 1 . 2]" 1
112 1 38 GLN HA 1 38 GLN HB2 2.700 . 3.600 3.006 2.990 3.029 . 0 0 "[ . 1 . 2]" 1
113 1 38 GLN QB 1 84 SER QB 4.200 . 6.600 2.337 1.828 3.446 . 0 0 "[ . 1 . 2]" 1
114 1 38 GLN HG2 1 40 TYR QE 4.350 . 6.900 4.768 4.262 5.665 . 0 0 "[ . 1 . 2]" 1
115 1 38 GLN HG2 1 48 ILE MD 3.600 . 5.400 3.188 1.883 4.445 . 0 0 "[ . 1 . 2]" 1
116 1 39 ARG HB3 1 39 ARG HD2 3.100 . 4.400 3.344 3.049 3.769 . 0 0 "[ . 1 . 2]" 1
117 1 39 ARG HB2 1 49 TYR QE 4.350 . 6.900 1.989 1.888 2.231 . 0 0 "[ . 1 . 2]" 1
118 1 39 ARG HA 1 39 ARG HD3 3.300 . 4.800 4.554 4.442 4.634 . 0 0 "[ . 1 . 2]" 1
119 1 39 ARG HD2 1 83 LEU MD1 3.600 . 5.400 3.492 3.148 3.772 . 0 0 "[ . 1 . 2]" 1
120 1 39 ARG HB3 1 49 TYR QE 4.150 . 6.500 2.979 2.491 3.546 . 0 0 "[ . 1 . 2]" 1
121 1 39 ARG HD2 1 49 TYR QD 4.150 . 6.500 4.597 4.073 5.586 . 0 0 "[ . 1 . 2]" 1
122 1 39 ARG HA 1 39 ARG HB3 2.700 . 3.600 2.987 2.753 3.019 . 0 0 "[ . 1 . 2]" 1
123 1 39 ARG HA 1 39 ARG HG2 2.700 . 3.600 2.691 2.257 2.869 . 0 0 "[ . 1 . 2]" 1
124 1 39 ARG HA 1 83 LEU HB3 3.300 . 4.800 4.861 4.816 4.905 0.105 20 0 "[ . 1 . 2]" 1
125 1 39 ARG HD2 1 49 TYR QE 3.350 . 4.900 2.497 1.928 3.384 . 0 0 "[ . 1 . 2]" 1
126 1 39 ARG HB3 1 49 TYR QD 4.150 . 6.500 4.110 3.487 5.187 . 0 0 "[ . 1 . 2]" 1
127 1 39 ARG HD3 1 49 TYR QE 3.350 . 4.900 2.581 1.873 3.340 . 0 0 "[ . 1 . 2]" 1
128 1 39 ARG HD3 1 47 ASN HB3 3.100 . 4.400 3.955 3.441 4.400 . 0 0 "[ . 1 . 2]" 1
129 1 39 ARG HA 1 83 LEU HA 2.700 . 3.600 2.705 2.612 2.820 . 0 0 "[ . 1 . 2]" 1
130 1 39 ARG HB3 1 39 ARG HD3 3.100 . 4.400 2.492 2.264 2.925 . 0 0 "[ . 1 . 2]" 1
131 1 39 ARG HA 1 39 ARG HD2 3.300 . 4.800 4.561 4.430 4.715 . 0 0 "[ . 1 . 2]" 1
132 1 39 ARG HD3 1 49 TYR QD 4.150 . 6.500 4.726 4.147 5.194 . 0 0 "[ . 1 . 2]" 1
133 1 39 ARG HD3 1 83 LEU MD1 3.600 . 5.400 4.310 3.849 4.504 . 0 0 "[ . 1 . 2]" 1
134 1 39 ARG HD3 1 59 ILE MG 3.600 . 5.400 3.471 2.719 4.114 . 0 0 "[ . 1 . 2]" 1
135 1 39 ARG HD2 1 59 ILE MD 3.800 . 5.800 3.380 2.998 4.562 . 0 0 "[ . 1 . 2]" 1
136 1 39 ARG HA 1 49 TYR QD 4.150 . 6.500 4.368 4.115 4.619 . 0 0 "[ . 1 . 2]" 1
137 1 39 ARG HA 1 49 TYR QE 4.150 . 6.500 4.303 4.043 4.481 . 0 0 "[ . 1 . 2]" 1
138 1 39 ARG HA 1 39 ARG HG3 2.700 . 3.600 2.570 2.470 2.828 . 0 0 "[ . 1 . 2]" 1
139 1 39 ARG HA 1 47 ASN HB2 3.300 . 4.800 4.866 4.736 4.956 0.156 15 0 "[ . 1 . 2]" 1
140 1 39 ARG H 1 49 TYR QE 4.150 . 5.700 4.125 3.170 4.691 . 0 0 "[ . 1 . 2]" 1
141 1 39 ARG HA 1 83 LEU MD1 3.200 . 4.600 2.077 1.937 2.270 . 0 0 "[ . 1 . 2]" 1
142 1 39 ARG HG3 1 49 TYR QD 3.750 . 5.700 4.102 3.184 4.379 . 0 0 "[ . 1 . 2]" 1
143 1 39 ARG HD3 1 47 ASN HB2 2.700 . 3.600 2.532 2.101 3.011 . 0 0 "[ . 1 . 2]" 1
144 1 39 ARG HD3 1 59 ILE MD 3.800 . 5.800 4.404 3.607 4.640 . 0 0 "[ . 1 . 2]" 1
145 1 39 ARG HG3 1 49 TYR QE 3.750 . 5.700 2.909 1.912 3.317 . 0 0 "[ . 1 . 2]" 1
146 1 40 TYR QD 1 82 VAL MG2 4.250 . 6.700 4.524 4.371 4.652 . 0 0 "[ . 1 . 2]" 1
147 1 40 TYR QE 1 82 VAL MG2 4.700 . 7.600 5.840 5.788 5.902 . 0 0 "[ . 1 . 2]" 1
148 1 40 TYR QR 1 84 SER QB 4.350 . 6.900 2.046 1.872 2.288 . 0 0 "[ . 1 . 2]" 1
149 1 40 TYR QR 1 45 VAL QG 4.300 . 6.800 3.010 2.724 3.236 . 0 0 "[ . 1 . 2]" 1
150 1 40 TYR HB2 1 82 VAL MG1 3.600 . 5.400 2.019 1.988 2.079 . 0 0 "[ . 1 . 2]" 1
151 1 40 TYR HA 1 40 TYR HB3 2.300 . 2.800 2.582 2.519 2.643 . 0 0 "[ . 1 . 2]" 1
152 1 40 TYR QE 1 82 VAL MG1 4.300 . 6.800 3.886 3.567 4.164 . 0 0 "[ . 1 . 2]" 1
153 1 40 TYR HA 1 40 TYR QE 3.350 . 4.900 4.644 4.558 4.770 . 0 0 "[ . 1 . 2]" 1
154 1 40 TYR HA 1 40 TYR QD 3.350 . 4.900 3.085 2.914 3.152 . 0 0 "[ . 1 . 2]" 1
155 1 40 TYR HA 1 45 VAL QG 3.800 . 5.800 3.369 3.134 3.582 . 0 0 "[ . 1 . 2]" 1
156 1 40 TYR HB2 1 45 VAL HA 3.100 . 4.400 4.451 4.402 4.490 0.090 6 0 "[ . 1 . 2]" 1
157 1 40 TYR HB3 1 82 VAL MG1 3.600 . 5.400 3.073 2.929 3.244 . 0 0 "[ . 1 . 2]" 1
158 1 40 TYR QD 1 43 GLY HA2 4.350 . 6.900 3.912 3.111 5.080 . 0 0 "[ . 1 . 2]" 1
159 1 40 TYR QD 1 45 VAL HB 3.350 . 4.900 3.600 3.331 4.061 . 0 0 "[ . 1 . 2]" 1
160 1 40 TYR QD 1 82 VAL MG1 4.250 . 6.700 2.572 2.073 3.030 . 0 0 "[ . 1 . 2]" 1
161 1 40 TYR QE 1 45 VAL HB 3.750 . 5.700 3.187 2.805 3.585 . 0 0 "[ . 1 . 2]" 1
162 1 40 TYR HB3 1 45 VAL HA 3.100 . 4.400 3.954 3.680 4.297 . 0 0 "[ . 1 . 2]" 1
163 1 40 TYR QE 1 84 SER H 3.750 . 5.700 3.880 3.499 4.200 . 0 0 "[ . 1 . 2]" 1
164 1 40 TYR HB2 1 82 VAL MG2 3.600 . 5.400 3.481 3.259 3.662 . 0 0 "[ . 1 . 2]" 1
165 1 40 TYR HA 1 45 VAL HB 3.100 . 4.400 3.937 3.708 4.357 . 0 0 "[ . 1 . 2]" 1
166 1 40 TYR HA 1 45 VAL HA 2.700 . 3.600 1.915 1.830 2.042 . 0 0 "[ . 1 . 2]" 1
167 1 40 TYR HA 1 82 VAL MG1 3.600 . 5.400 4.483 4.434 4.509 . 0 0 "[ . 1 . 2]" 1
168 1 40 TYR HA 1 40 TYR HB2 2.700 . 3.600 2.941 2.911 2.986 . 0 0 "[ . 1 . 2]" 1
169 1 40 TYR HB2 1 82 VAL HB 2.700 . 3.600 1.859 1.780 1.994 0.020 18 0 "[ . 1 . 2]" 1
170 1 40 TYR QE 1 45 VAL HA 3.750 . 5.700 4.266 3.993 4.463 . 0 0 "[ . 1 . 2]" 1
171 1 40 TYR QD 1 45 VAL HA 3.750 . 5.700 3.380 3.043 3.624 . 0 0 "[ . 1 . 2]" 1
172 1 40 TYR HB2 1 40 TYR QD 3.350 . 4.900 2.438 2.312 2.588 . 0 0 "[ . 1 . 2]" 1
173 1 40 TYR HB3 1 82 VAL HB 2.700 . 3.600 2.560 2.306 2.922 . 0 0 "[ . 1 . 2]" 1
174 1 41 LYS HA 1 41 LYS HB3 2.300 . 2.800 2.925 2.890 2.952 0.152 14 0 "[ . 1 . 2]" 1
175 1 41 LYS HB2 1 41 LYS HG2 2.300 . 2.800 2.401 2.108 2.633 . 0 0 "[ . 1 . 2]" 1
176 1 41 LYS HA 1 41 LYS HB2 2.300 . 2.800 2.569 2.233 2.743 . 0 0 "[ . 1 . 2]" 1
177 1 41 LYS HG3 1 46 ASN HB2 2.700 . 3.600 3.653 3.446 3.703 0.103 19 0 "[ . 1 . 2]" 1
178 1 41 LYS HB2 1 46 ASN HB3 3.100 . 4.400 2.779 2.367 4.168 . 0 0 "[ . 1 . 2]" 1
179 1 41 LYS HG2 1 81 SER HB3 2.700 . 3.600 3.668 3.611 3.765 0.165 14 0 "[ . 1 . 2]" 1
180 1 41 LYS HB3 1 46 ASN HB3 2.700 . 3.600 3.284 2.632 3.665 0.065 9 0 "[ . 1 . 2]" 1
181 1 41 LYS HB2 1 46 ASN HB2 3.100 . 4.400 2.565 2.018 4.289 . 0 0 "[ . 1 . 2]" 1
182 1 41 LYS HB3 1 41 LYS HG3 2.300 . 2.800 2.394 2.266 2.579 . 0 0 "[ . 1 . 2]" 1
183 1 41 LYS HA 1 41 LYS HG3 2.700 . 3.600 3.610 3.460 3.708 0.108 5 0 "[ . 1 . 2]" 1
184 1 41 LYS HA 1 41 LYS HG2 2.700 . 3.600 2.704 2.300 3.659 0.059 5 0 "[ . 1 . 2]" 1
185 1 41 LYS HG2 1 46 ASN HB3 3.300 . 4.800 4.641 4.109 4.872 0.072 4 0 "[ . 1 . 2]" 1
186 1 41 LYS HB3 1 41 LYS HG2 2.700 . 3.600 2.893 2.489 3.017 . 0 0 "[ . 1 . 2]" 1
187 1 42 ASP HA 1 42 ASP HB2 2.300 . 2.800 2.895 2.350 2.953 0.153 18 0 "[ . 1 . 2]" 1
188 1 42 ASP HA 1 42 ASP HB3 2.300 . 2.800 2.596 2.445 2.948 0.148 11 0 "[ . 1 . 2]" 1
189 1 44 ASP HA 1 44 ASP HB3 2.700 . 3.600 2.614 2.419 3.040 . 0 0 "[ . 1 . 2]" 1
190 1 44 ASP HA 1 44 ASP HB2 2.700 . 3.600 2.410 2.318 2.681 . 0 0 "[ . 1 . 2]" 1
191 1 45 VAL HA 1 45 VAL HB 2.300 . 2.800 2.410 2.362 2.474 . 0 0 "[ . 1 . 2]" 1
192 1 45 VAL HA 1 45 VAL QG 3.100 . 4.400 2.305 2.256 2.363 . 0 0 "[ . 1 . 2]" 1
193 1 46 ASN HA 1 46 ASN HB3 2.300 . 2.800 2.953 2.929 2.979 0.179 4 0 "[ . 1 . 2]" 1
194 1 46 ASN HA 1 46 ASN HB2 2.100 . 2.400 2.449 2.305 2.519 0.119 20 0 "[ . 1 . 2]" 1
195 1 47 ASN HB2 1 49 TYR QE 4.150 . 6.500 2.587 2.047 3.462 . 0 0 "[ . 1 . 2]" 1
196 1 47 ASN HB2 1 49 TYR QD 4.150 . 6.500 3.983 3.594 4.770 . 0 0 "[ . 1 . 2]" 1
197 1 48 ILE HA 1 48 ILE MD 3.800 . 5.800 2.556 1.924 3.723 . 0 0 "[ . 1 . 2]" 1
198 1 48 ILE HA 1 48 ILE HB 2.700 . 3.600 2.957 2.640 3.041 . 0 0 "[ . 1 . 2]" 1
199 1 49 TYR HA 1 49 TYR HB2 2.700 . 3.600 3.067 3.043 3.095 . 0 0 "[ . 1 . 2]" 1
200 1 49 TYR QD 1 59 ILE MG 4.650 . 7.500 3.985 3.590 4.584 . 0 0 "[ . 1 . 2]" 1
201 1 49 TYR HB2 1 49 TYR QD 3.350 . 4.900 2.429 2.307 2.588 . 0 0 "[ . 1 . 2]" 1
202 1 49 TYR HA 1 49 TYR HB3 2.700 . 3.600 2.403 2.341 2.463 . 0 0 "[ . 1 . 2]" 1
203 1 49 TYR QE 1 83 LEU MD1 4.300 . 6.800 3.838 3.141 4.354 . 0 0 "[ . 1 . 2]" 1
204 1 49 TYR HB3 1 49 TYR QE 3.350 . 4.900 4.413 4.350 4.479 . 0 0 "[ . 1 . 2]" 1
205 1 49 TYR QE 1 59 ILE HG13 4.150 . 6.500 4.626 4.300 5.034 . 0 0 "[ . 1 . 2]" 1
206 1 49 TYR HB2 1 57 ILE MG 3.800 . 5.800 4.619 4.574 4.691 . 0 0 "[ . 1 . 2]" 1
207 1 49 TYR QE 1 59 ILE HG12 4.150 . 6.500 3.230 2.859 3.600 . 0 0 "[ . 1 . 2]" 1
208 1 49 TYR QD 1 59 ILE HG12 4.150 . 6.500 3.463 3.150 4.053 . 0 0 "[ . 1 . 2]" 1
209 1 49 TYR QE 1 59 ILE MG 4.700 . 7.600 2.735 2.321 3.093 . 0 0 "[ . 1 . 2]" 1
210 1 49 TYR HA 1 49 TYR QE 3.750 . 5.700 4.719 4.526 4.873 . 0 0 "[ . 1 . 2]" 1
211 1 49 TYR QD 1 57 ILE MD 4.650 . 7.500 3.565 3.290 3.963 . 0 0 "[ . 1 . 2]" 1
212 1 49 TYR HA 1 49 TYR QD 3.350 . 4.900 2.788 2.462 3.156 . 0 0 "[ . 1 . 2]" 1
213 1 49 TYR QE 1 59 ILE MD 4.700 . 7.600 2.818 2.136 3.367 . 0 0 "[ . 1 . 2]" 1
214 1 49 TYR QD 1 83 LEU MD1 4.650 . 7.500 4.135 3.817 4.886 . 0 0 "[ . 1 . 2]" 1
215 1 49 TYR QD 1 59 ILE HG13 4.150 . 6.500 4.564 4.246 4.960 . 0 0 "[ . 1 . 2]" 1
216 1 49 TYR QD 1 59 ILE MD 4.650 . 7.500 2.859 2.512 3.402 . 0 0 "[ . 1 . 2]" 1
217 1 49 TYR QE 1 57 ILE MD 4.700 . 7.600 4.641 4.197 5.085 . 0 0 "[ . 1 . 2]" 1
218 1 49 TYR HB2 1 57 ILE MD 3.600 . 5.400 3.140 2.857 3.356 . 0 0 "[ . 1 . 2]" 1
219 1 50 THR HA 1 50 THR HB 2.100 . 2.400 2.260 2.228 2.294 . 0 0 "[ . 1 . 2]" 1
220 1 50 THR HA 1 50 THR MG 2.800 . 3.800 3.212 3.196 3.225 . 0 0 "[ . 1 . 2]" 1
221 1 51 ALA MB 1 66 VAL MG1 3.700 . 5.600 2.631 2.405 2.781 . 0 0 "[ . 1 . 2]" 1
222 1 51 ALA MB 1 55 GLU HG2 3.600 . 5.400 2.889 2.530 3.445 . 0 0 "[ . 1 . 2]" 1
223 1 51 ALA MB 1 66 VAL HA 3.800 . 5.800 4.767 4.579 4.860 . 0 0 "[ . 1 . 2]" 1
224 1 51 ALA MB 1 66 VAL HB 3.200 . 4.600 2.602 2.325 2.771 . 0 0 "[ . 1 . 2]" 1
225 1 51 ALA MB 1 55 GLU HB3 3.200 . 4.600 2.474 2.218 2.739 . 0 0 "[ . 1 . 2]" 1
226 1 51 ALA MB 1 57 ILE MG 3.700 . 5.600 1.905 1.812 2.054 . 0 0 "[ . 1 . 2]" 1
227 1 51 ALA MB 1 66 VAL MG2 3.700 . 5.600 1.973 1.939 2.033 . 0 0 "[ . 1 . 2]" 1
228 1 51 ALA HA 1 57 ILE MG 3.600 . 5.400 3.033 2.617 3.491 . 0 0 "[ . 1 . 2]" 1
229 1 51 ALA MB 1 55 GLU HB2 3.800 . 5.800 3.984 3.747 4.232 . 0 0 "[ . 1 . 2]" 1
230 1 52 ASN HB2 1 55 GLU HB2 2.700 . 3.600 2.301 2.031 2.852 . 0 0 "[ . 1 . 2]" 1
231 1 52 ASN HB3 1 55 GLU HB3 3.100 . 4.400 4.212 3.975 4.425 0.025 13 0 "[ . 1 . 2]" 1
232 1 52 ASN HB2 1 55 GLU HB3 3.100 . 4.400 3.003 2.664 3.599 . 0 0 "[ . 1 . 2]" 1
233 1 53 ARG HD2 1 68 GLU HA 3.100 . 4.400 4.309 4.139 4.472 0.072 13 0 "[ . 1 . 2]" 1
234 1 53 ARG QD 1 87 PHE QR 4.350 . 6.900 3.563 3.208 3.792 . 0 0 "[ . 1 . 2]" 1
235 1 53 ARG HA 1 53 ARG HB2 2.300 . 2.800 2.679 2.614 2.722 . 0 0 "[ . 1 . 2]" 1
236 1 53 ARG HD3 1 68 GLU HA 3.100 . 4.400 4.189 3.663 4.418 0.018 16 0 "[ . 1 . 2]" 1
237 1 53 ARG HB3 1 87 PHE QE 4.150 . 6.500 4.556 4.298 4.930 . 0 0 "[ . 1 . 2]" 1
238 1 53 ARG HB2 1 68 GLU HA 2.700 . 3.600 2.036 1.897 2.171 . 0 0 "[ . 1 . 2]" 1
239 1 53 ARG HB3 1 87 PHE QD 4.150 . 6.500 5.198 4.590 5.585 . 0 0 "[ . 1 . 2]" 1
240 1 53 ARG HD3 1 68 GLU HB2 3.100 . 4.400 3.798 2.933 4.432 0.032 1 0 "[ . 1 . 2]" 1
241 1 53 ARG HB2 1 68 GLU HB2 3.300 . 4.800 2.663 2.301 3.357 . 0 0 "[ . 1 . 2]" 1
242 1 53 ARG HA 1 68 GLU HA 2.700 . 3.600 2.575 2.354 2.874 . 0 0 "[ . 1 . 2]" 1
243 1 53 ARG HD2 1 68 GLU HB2 3.100 . 4.400 3.514 3.051 4.114 . 0 0 "[ . 1 . 2]" 1
244 1 53 ARG HA 1 66 VAL MG1 3.200 . 4.600 3.184 2.990 3.368 . 0 0 "[ . 1 . 2]" 1
245 1 53 ARG HB3 1 68 GLU HA 2.700 . 3.600 2.400 2.023 2.914 . 0 0 "[ . 1 . 2]" 1
246 1 53 ARG QG 1 68 GLU HA 3.550 . 5.300 4.000 3.888 4.142 . 0 0 "[ . 1 . 2]" 1
247 1 54 ASN HA 1 65 PHE HZ 3.100 . 4.400 2.959 2.626 3.243 . 0 0 "[ . 1 . 2]" 1
248 1 54 ASN HA 1 54 ASN HB3 2.300 . 2.800 2.361 2.270 2.453 . 0 0 "[ . 1 . 2]" 1
249 1 54 ASN HA 1 54 ASN HB2 2.300 . 2.800 2.964 2.952 2.981 0.181 8 0 "[ . 1 . 2]" 1
250 1 54 ASN HB3 1 67 ASN HA 3.100 . 4.400 4.454 4.203 4.529 0.129 10 0 "[ . 1 . 2]" 1
251 1 54 ASN HA 1 65 PHE QE 3.350 . 4.900 2.843 2.386 3.341 . 0 0 "[ . 1 . 2]" 1
252 1 54 ASN QB 1 65 PHE QR 4.750 . 7.700 2.838 2.547 3.170 . 0 0 "[ . 1 . 2]" 1
253 1 54 ASN HA 1 65 PHE QD 3.750 . 5.700 4.252 4.003 4.470 . 0 0 "[ . 1 . 2]" 1
254 1 54 ASN HA 1 66 VAL MG1 3.800 . 5.800 4.573 4.358 4.657 . 0 0 "[ . 1 . 2]" 1
255 1 55 GLU HA 1 55 GLU HG2 2.700 . 3.600 3.298 3.130 3.434 . 0 0 "[ . 1 . 2]" 1
256 1 55 GLU HA 1 55 GLU HB3 2.700 . 3.600 3.019 3.006 3.032 . 0 0 "[ . 1 . 2]" 1
257 1 55 GLU HB2 1 55 GLU HG2 2.700 . 3.600 2.992 2.979 3.004 . 0 0 "[ . 1 . 2]" 1
258 1 55 GLU HB2 1 55 GLU HG3 2.700 . 3.600 2.433 2.340 2.487 . 0 0 "[ . 1 . 2]" 1
259 1 55 GLU HB3 1 57 ILE MG 3.600 . 5.400 3.921 3.579 4.347 . 0 0 "[ . 1 . 2]" 1
260 1 55 GLU HA 1 55 GLU HG3 2.700 . 3.600 2.474 2.396 2.610 . 0 0 "[ . 1 . 2]" 1
261 1 55 GLU HA 1 55 GLU HB2 2.700 . 3.600 2.407 2.351 2.456 . 0 0 "[ . 1 . 2]" 1
262 1 55 GLU HG3 1 57 ILE MG 3.600 . 5.400 4.158 3.612 4.432 . 0 0 "[ . 1 . 2]" 1
263 1 55 GLU HG2 1 57 ILE MG 3.600 . 5.400 2.728 2.196 3.093 . 0 0 "[ . 1 . 2]" 1
264 1 56 GLU HA 1 56 GLU QB 2.550 . 3.300 2.327 2.283 2.352 . 0 0 "[ . 1 . 2]" 1
265 1 56 GLU QB 1 65 PHE HA 3.150 . 4.500 2.962 2.616 3.615 . 0 0 "[ . 1 . 2]" 1
266 1 56 GLU QB 1 65 PHE QR 4.350 . 6.900 2.630 1.887 4.059 . 0 0 "[ . 1 . 2]" 1
267 1 56 GLU HA 1 56 GLU QG 3.150 . 4.500 2.563 2.481 2.649 . 0 0 "[ . 1 . 2]" 1
268 1 56 GLU QG 1 63 LYS QB 4.000 . 6.200 2.904 2.174 4.678 . 0 0 "[ . 1 . 2]" 1
269 1 56 GLU QB 1 65 PHE QB 3.600 . 5.400 3.076 2.633 3.846 . 0 0 "[ . 1 . 2]" 1
270 1 56 GLU HA 1 57 ILE MG 3.600 . 5.400 3.957 3.496 4.271 . 0 0 "[ . 1 . 2]" 1
271 1 56 GLU QG 1 64 VAL QG 4.900 . 8.000 4.494 4.080 5.289 . 0 0 "[ . 1 . 2]" 1
272 1 56 GLU HA 1 64 VAL HB 3.300 . 4.800 4.796 4.681 4.837 0.037 4 0 "[ . 1 . 2]" 1
273 1 56 GLU QG 1 65 PHE QB 4.000 . 6.200 2.668 2.065 3.255 . 0 0 "[ . 1 . 2]" 1
274 1 56 GLU QG 1 65 PHE QR 4.750 . 7.700 3.243 1.911 3.971 . 0 0 "[ . 1 . 2]" 1
275 1 56 GLU QG 1 65 PHE HA 3.550 . 5.300 2.790 2.297 3.301 . 0 0 "[ . 1 . 2]" 1
276 1 56 GLU HA 1 65 PHE QD 3.350 . 4.900 3.315 3.121 3.566 . 0 0 "[ . 1 . 2]" 1
277 1 56 GLU HA 1 65 PHE HB2 3.300 . 4.800 3.756 3.620 3.833 . 0 0 "[ . 1 . 2]" 1
278 1 56 GLU HA 1 65 PHE HB3 3.300 . 4.800 4.816 4.741 4.866 0.066 18 0 "[ . 1 . 2]" 1
279 1 56 GLU HA 1 66 VAL MG2 3.600 . 5.400 3.872 3.620 4.189 . 0 0 "[ . 1 . 2]" 1
280 1 56 GLU HA 1 65 PHE HA 2.300 . 2.800 1.924 1.873 2.019 . 0 0 "[ . 1 . 2]" 1
281 1 56 GLU QB 1 64 VAL QG 4.900 . 8.000 5.153 4.704 5.295 . 0 0 "[ . 1 . 2]" 1
282 1 57 ILE HA 1 57 ILE MD 3.600 . 5.400 4.201 4.174 4.218 . 0 0 "[ . 1 . 2]" 1
283 1 57 ILE HA 1 57 ILE HB 2.300 . 2.800 2.473 2.441 2.503 . 0 0 "[ . 1 . 2]" 1
284 1 57 ILE HG13 1 64 VAL HB 3.300 . 4.800 2.180 2.073 2.345 . 0 0 "[ . 1 . 2]" 1
285 1 57 ILE HG13 1 59 ILE MD 3.800 . 5.800 3.407 2.996 3.661 . 0 0 "[ . 1 . 2]" 1
286 1 57 ILE HB 1 57 ILE HG13 2.700 . 3.600 2.379 2.332 2.438 . 0 0 "[ . 1 . 2]" 1
287 1 57 ILE HA 1 57 ILE MG 3.200 . 4.600 2.396 2.334 2.467 . 0 0 "[ . 1 . 2]" 1
288 1 57 ILE HA 1 57 ILE HG13 3.100 . 4.400 3.723 3.661 3.759 . 0 0 "[ . 1 . 2]" 1
289 1 57 ILE H 1 65 PHE QD 4.150 . 6.500 5.297 5.098 5.540 . 0 0 "[ . 1 . 2]" 1
290 1 57 ILE QG 1 64 VAL QG 4.900 . 8.000 2.690 2.494 2.852 . 0 0 "[ . 1 . 2]" 1
291 1 57 ILE HB 1 59 ILE MD 3.800 . 5.800 4.648 4.273 4.788 . 0 0 "[ . 1 . 2]" 1
292 1 58 THR MG 1 63 LYS HB3 3.600 . 5.400 2.771 2.251 4.257 . 0 0 "[ . 1 . 2]" 1
293 1 58 THR MG 1 63 LYS HB2 3.200 . 4.600 3.451 2.983 3.562 . 0 0 "[ . 1 . 2]" 1
294 1 58 THR MG 1 61 GLU HA 3.200 . 4.600 2.184 1.938 2.576 . 0 0 "[ . 1 . 2]" 1
295 1 58 THR HA 1 58 THR MG 2.600 . 3.400 2.206 2.166 2.253 . 0 0 "[ . 1 . 2]" 1
296 1 58 THR HA 1 63 LYS HB2 3.100 . 4.400 3.763 3.415 4.415 0.015 14 0 "[ . 1 . 2]" 1
297 1 58 THR HA 1 63 LYS HA 3.100 . 4.400 1.985 1.902 2.194 . 0 0 "[ . 1 . 2]" 1
298 1 58 THR HA 1 58 THR HB 2.300 . 2.800 2.923 2.889 2.939 0.139 9 0 "[ . 1 . 2]" 1
299 1 58 THR HA 1 64 VAL QG 4.450 . 7.100 3.554 3.344 3.801 . 0 0 "[ . 1 . 2]" 1
300 1 58 THR MG 1 62 TYR HA 3.600 . 5.400 3.910 3.746 4.116 . 0 0 "[ . 1 . 2]" 1
301 1 59 ILE HG13 1 64 VAL MG1 3.600 . 5.400 4.407 4.189 4.446 . 0 0 "[ . 1 . 2]" 1
302 1 59 ILE MD 1 64 VAL HB 3.600 . 5.400 3.318 2.815 3.627 . 0 0 "[ . 1 . 2]" 1
303 1 59 ILE HB 1 59 ILE MD 2.800 . 3.800 2.373 2.308 2.404 . 0 0 "[ . 1 . 2]" 1
304 1 59 ILE HA 1 59 ILE MD 3.200 . 4.600 3.826 3.799 3.879 . 0 0 "[ . 1 . 2]" 1
305 1 59 ILE MD 1 64 VAL MG1 3.700 . 5.600 3.055 2.739 3.269 . 0 0 "[ . 1 . 2]" 1
306 1 59 ILE MD 1 64 VAL MG2 3.700 . 5.600 1.996 1.892 2.140 . 0 0 "[ . 1 . 2]" 1
307 1 59 ILE HG13 1 59 ILE MG 2.800 . 3.800 3.189 3.176 3.200 . 0 0 "[ . 1 . 2]" 1
308 1 59 ILE HA 1 59 ILE MG 2.600 . 3.400 2.482 2.391 2.548 . 0 0 "[ . 1 . 2]" 1
309 1 59 ILE MD 1 83 LEU MD2 3.300 . 4.800 1.903 1.848 2.033 . 0 0 "[ . 1 . 2]" 1
310 1 59 ILE HA 1 59 ILE HG13 2.300 . 2.800 2.892 2.866 2.920 0.120 14 0 "[ . 1 . 2]" 1
311 1 59 ILE MD 1 62 TYR QD 4.650 . 7.500 4.774 4.218 5.095 . 0 0 "[ . 1 . 2]" 1
312 1 59 ILE MD 1 77 LEU MD1 4.100 . 6.400 2.538 2.122 2.996 . 0 0 "[ . 1 . 2]" 1
313 1 59 ILE HA 1 59 ILE HG12 2.300 . 2.800 2.519 2.458 2.577 . 0 0 "[ . 1 . 2]" 1
314 1 59 ILE HA 1 59 ILE HB 2.700 . 3.600 3.026 3.018 3.033 . 0 0 "[ . 1 . 2]" 1
315 1 59 ILE MD 1 83 LEU HB2 3.800 . 5.800 4.862 4.739 4.930 . 0 0 "[ . 1 . 2]" 1
316 1 59 ILE HB 1 64 VAL QG 4.250 . 6.700 2.847 2.645 3.084 . 0 0 "[ . 1 . 2]" 1
317 1 59 ILE MD 1 83 LEU HG 3.800 . 5.800 3.224 2.908 3.551 . 0 0 "[ . 1 . 2]" 1
318 1 59 ILE HB 1 59 ILE HG13 2.700 . 3.600 2.464 2.435 2.500 . 0 0 "[ . 1 . 2]" 1
319 1 60 GLU HB3 1 62 TYR QD 3.750 . 5.700 3.946 3.298 4.548 . 0 0 "[ . 1 . 2]" 1
320 1 60 GLU HB3 1 62 TYR QE 4.150 . 6.500 3.209 2.725 3.765 . 0 0 "[ . 1 . 2]" 1
321 1 60 GLU QG 1 62 TYR QR 4.350 . 6.900 3.850 3.443 4.204 . 0 0 "[ . 1 . 2]" 1
322 1 60 GLU HA 1 60 GLU HG3 2.700 . 3.600 2.571 2.287 3.015 . 0 0 "[ . 1 . 2]" 1
323 1 60 GLU HA 1 62 TYR QE 4.150 . 6.500 5.328 5.072 5.481 . 0 0 "[ . 1 . 2]" 1
324 1 60 GLU HG2 1 62 TYR QE 4.150 . 6.500 4.525 3.770 5.288 . 0 0 "[ . 1 . 2]" 1
325 1 60 GLU HG2 1 62 TYR QD 4.150 . 6.500 5.168 4.520 5.805 . 0 0 "[ . 1 . 2]" 1
326 1 60 GLU HA 1 60 GLU HB3 2.700 . 3.600 2.549 2.451 2.624 . 0 0 "[ . 1 . 2]" 1
327 1 61 GLU HB2 1 61 GLU HG3 2.300 . 2.800 2.410 2.314 2.523 . 0 0 "[ . 1 . 2]" 1
328 1 61 GLU HA 1 61 GLU HG2 3.100 . 4.400 3.097 2.796 3.416 . 0 0 "[ . 1 . 2]" 1
329 1 61 GLU QB 1 62 TYR QR 4.750 . 7.700 3.966 3.551 4.350 . 0 0 "[ . 1 . 2]" 1
330 1 61 GLU HB3 1 61 GLU HG3 2.000 . 2.200 2.281 2.251 2.310 0.110 18 0 "[ . 1 . 2]" 1
331 1 61 GLU HA 1 62 TYR QE 4.350 . 6.900 6.402 6.217 6.472 . 0 0 "[ . 1 . 2]" 1
332 1 61 GLU HA 1 61 GLU HG3 3.100 . 4.400 3.602 3.541 3.695 . 0 0 "[ . 1 . 2]" 1
333 1 62 TYR HA 1 62 TYR HB2 2.700 . 3.600 3.034 3.011 3.048 . 0 0 "[ . 1 . 2]" 1
334 1 62 TYR HB2 1 62 TYR QD 3.350 . 4.900 2.294 2.245 2.334 . 0 0 "[ . 1 . 2]" 1
335 1 62 TYR HB2 1 77 LEU MD2 3.200 . 4.600 2.774 2.589 3.049 . 0 0 "[ . 1 . 2]" 1
336 1 62 TYR QE 1 77 LEU MD2 4.300 . 6.800 4.650 4.108 5.051 . 0 0 "[ . 1 . 2]" 1
337 1 62 TYR QD 1 77 LEU MD2 4.250 . 6.700 3.223 2.692 3.753 . 0 0 "[ . 1 . 2]" 1
338 1 62 TYR QR 1 77 LEU QB 4.750 . 7.700 3.148 2.885 3.797 . 0 0 "[ . 1 . 2]" 1
339 1 62 TYR QE 1 78 PRO HB3 4.150 . 6.500 4.693 4.352 5.060 . 0 0 "[ . 1 . 2]" 1
340 1 62 TYR HB3 1 77 LEU MD2 3.200 . 4.600 2.650 2.327 2.944 . 0 0 "[ . 1 . 2]" 1
341 1 62 TYR QE 1 77 LEU MD1 4.300 . 6.800 3.462 2.548 4.235 . 0 0 "[ . 1 . 2]" 1
342 1 62 TYR QD 1 78 PRO HB3 4.150 . 6.500 5.516 5.191 5.954 . 0 0 "[ . 1 . 2]" 1
343 1 62 TYR QD 1 77 LEU MD1 4.250 . 6.700 2.200 1.946 3.046 . 0 0 "[ . 1 . 2]" 1
344 1 62 TYR QE 1 78 PRO HB2 4.150 . 6.500 3.738 3.367 4.142 . 0 0 "[ . 1 . 2]" 1
345 1 62 TYR QR 1 78 PRO QD 4.750 . 7.700 2.812 2.629 2.985 . 0 0 "[ . 1 . 2]" 1
346 1 62 TYR QE 1 78 PRO HA 4.150 . 6.500 5.914 5.672 6.126 . 0 0 "[ . 1 . 2]" 1
347 1 62 TYR QD 1 77 LEU HA 4.150 . 6.500 5.096 4.903 5.409 . 0 0 "[ . 1 . 2]" 1
348 1 62 TYR QE 1 77 LEU HA 4.150 . 6.500 5.859 5.521 6.104 . 0 0 "[ . 1 . 2]" 1
349 1 62 TYR HA 1 62 TYR QE 3.750 . 5.700 4.709 4.557 4.920 . 0 0 "[ . 1 . 2]" 1
350 1 62 TYR QB 1 64 VAL QG 4.700 . 7.600 3.033 2.787 3.305 . 0 0 "[ . 1 . 2]" 1
351 1 62 TYR HA 1 62 TYR QD 3.350 . 4.900 2.514 2.377 2.663 . 0 0 "[ . 1 . 2]" 1
352 1 62 TYR QD 1 78 PRO HB2 4.150 . 6.500 4.915 4.381 5.490 . 0 0 "[ . 1 . 2]" 1
353 1 63 LYS HB2 1 63 LYS HG2 2.100 . 2.400 2.458 2.402 2.743 0.343 3 0 "[ . 1 . 2]" 1
354 1 63 LYS HA 1 63 LYS HB3 2.300 . 2.800 2.536 2.317 2.929 0.129 14 0 "[ . 1 . 2]" 1
355 1 63 LYS HA 1 63 LYS HG3 3.100 . 4.400 4.027 2.808 4.217 . 0 0 "[ . 1 . 2]" 1
356 1 63 LYS HA 1 63 LYS HG2 3.100 . 4.400 3.686 3.500 4.219 . 0 0 "[ . 1 . 2]" 1
357 1 63 LYS HA 1 63 LYS HB2 2.300 . 2.800 2.341 2.247 2.561 . 0 0 "[ . 1 . 2]" 1
358 1 63 LYS HB3 1 63 LYS HG3 2.300 . 2.800 2.525 2.353 2.904 0.104 3 0 "[ . 1 . 2]" 1
359 1 64 VAL HA 1 74 PRO HD2 3.100 . 4.400 2.919 2.537 3.139 . 0 0 "[ . 1 . 2]" 1
360 1 64 VAL QG 1 74 PRO QD 4.300 . 6.800 2.277 2.015 2.541 . 0 0 "[ . 1 . 2]" 1
361 1 64 VAL HA 1 74 PRO HD3 3.100 . 4.400 3.518 3.001 3.820 . 0 0 "[ . 1 . 2]" 1
362 1 64 VAL QG 1 66 VAL QG 5.000 . 8.200 2.601 2.354 2.829 . 0 0 "[ . 1 . 2]" 1
363 1 64 VAL QG 1 74 PRO QG 4.700 . 7.600 3.500 3.290 3.885 . 0 0 "[ . 1 . 2]" 1
364 1 65 PHE HA 1 65 PHE QD 3.350 . 4.900 2.632 2.517 2.777 . 0 0 "[ . 1 . 2]" 1
365 1 65 PHE QE 1 67 ASN HB2 3.750 . 5.700 2.824 2.376 3.172 . 0 0 "[ . 1 . 2]" 1
366 1 65 PHE QE 1 67 ASN H 4.150 . 6.500 4.314 4.076 4.488 . 0 0 "[ . 1 . 2]" 1
367 1 65 PHE QD 1 66 VAL MG1 4.850 . 7.900 5.502 5.416 5.566 . 0 0 "[ . 1 . 2]" 1
368 1 65 PHE QD 1 66 VAL MG2 4.850 . 7.900 5.017 4.904 5.129 . 0 0 "[ . 1 . 2]" 1
369 1 65 PHE HA 1 65 PHE HB3 2.700 . 3.600 3.017 3.004 3.027 . 0 0 "[ . 1 . 2]" 1
370 1 65 PHE QD 1 67 ASN HB2 3.750 . 5.700 3.717 3.311 3.996 . 0 0 "[ . 1 . 2]" 1
371 1 65 PHE QD 1 66 VAL HA 4.350 . 6.900 4.483 4.307 4.581 . 0 0 "[ . 1 . 2]" 1
372 1 65 PHE QD 1 67 ASN HA 3.750 . 5.700 4.214 3.982 4.525 . 0 0 "[ . 1 . 2]" 1
373 1 65 PHE H 1 65 PHE QD 3.750 . 5.700 4.129 4.087 4.160 . 0 0 "[ . 1 . 2]" 1
374 1 65 PHE HZ 1 67 ASN HA 3.100 . 4.400 3.116 2.739 3.449 . 0 0 "[ . 1 . 2]" 1
375 1 65 PHE HA 1 65 PHE QE 4.350 . 6.900 4.596 4.525 4.698 . 0 0 "[ . 1 . 2]" 1
376 1 65 PHE QE 1 67 ASN HA 3.750 . 5.700 2.956 2.656 3.273 . 0 0 "[ . 1 . 2]" 1
377 1 65 PHE QD 1 73 TYR H 3.750 . 5.700 4.372 4.166 4.581 . 0 0 "[ . 1 . 2]" 1
378 1 65 PHE H 1 73 TYR QD 3.750 . 5.700 5.140 4.661 5.336 . 0 0 "[ . 1 . 2]" 1
379 1 65 PHE HB3 1 65 PHE QE 3.350 . 4.900 4.359 4.346 4.376 . 0 0 "[ . 1 . 2]" 1
380 1 65 PHE HA 1 65 PHE HB2 2.700 . 3.600 2.412 2.371 2.446 . 0 0 "[ . 1 . 2]" 1
381 1 65 PHE HA 1 66 VAL HA 3.300 . 4.800 4.338 4.285 4.363 . 0 0 "[ . 1 . 2]" 1
382 1 65 PHE QD 1 66 VAL H 4.150 . 5.700 3.444 3.158 3.692 . 0 0 "[ . 1 . 2]" 1
383 1 66 VAL HA 1 66 VAL HB 2.700 . 3.600 3.032 3.029 3.038 . 0 0 "[ . 1 . 2]" 1
384 1 66 VAL MG2 1 70 CYS HA 3.600 . 5.400 4.462 4.363 4.499 . 0 0 "[ . 1 . 2]" 1
385 1 66 VAL HA 1 66 VAL MG2 2.800 . 3.800 2.370 2.307 2.431 . 0 0 "[ . 1 . 2]" 1
386 1 66 VAL MG2 1 72 PRO HA 3.600 . 5.400 2.380 2.038 2.629 . 0 0 "[ . 1 . 2]" 1
387 1 66 VAL HA 1 72 PRO HA 2.300 . 2.800 2.100 1.964 2.448 . 0 0 "[ . 1 . 2]" 1
388 1 66 VAL HA 1 66 VAL MG1 2.800 . 3.800 2.389 2.358 2.421 . 0 0 "[ . 1 . 2]" 1
389 1 66 VAL MG1 1 72 PRO HA 3.600 . 5.400 3.301 3.183 3.555 . 0 0 "[ . 1 . 2]" 1
390 1 66 VAL MG1 1 70 CYS HB3 3.600 . 5.400 3.684 3.564 3.785 . 0 0 "[ . 1 . 2]" 1
391 1 66 VAL MG1 1 68 GLU HA 3.800 . 5.800 4.287 4.080 4.585 . 0 0 "[ . 1 . 2]" 1
392 1 66 VAL MG1 1 71 HIS HA 3.200 . 4.600 3.589 3.520 3.640 . 0 0 "[ . 1 . 2]" 1
393 1 66 VAL MG1 1 70 CYS HA 3.600 . 5.400 2.181 2.065 2.285 . 0 0 "[ . 1 . 2]" 1
394 1 67 ASN HA 1 67 ASN HB2 2.300 . 2.800 2.446 2.383 2.570 . 0 0 "[ . 1 . 2]" 1
395 1 67 ASN HA 1 67 ASN HB3 2.700 . 3.600 3.043 3.006 3.057 . 0 0 "[ . 1 . 2]" 1
396 1 68 GLU HA 1 68 GLU QB 2.550 . 3.300 2.145 2.116 2.164 . 0 0 "[ . 1 . 2]" 1
397 1 68 GLU HA 1 68 GLU HG2 2.700 . 3.600 3.634 3.616 3.653 0.053 8 0 "[ . 1 . 2]" 1
398 1 69 ALA MB 1 87 PHE QE 4.700 . 7.600 3.335 3.043 3.690 . 0 0 "[ . 1 . 2]" 1
399 1 69 ALA MB 1 87 PHE QD 4.250 . 6.700 4.991 4.770 5.139 . 0 0 "[ . 1 . 2]" 1
400 1 70 CYS HA 1 70 CYS HB2 2.700 . 3.600 3.007 2.969 3.024 . 0 0 "[ . 1 . 2]" 1
401 1 70 CYS HB2 1 87 PHE HA 3.300 . 4.800 3.297 2.909 3.601 . 0 0 "[ . 1 . 2]" 1
402 1 70 CYS HB2 1 86 ASP HA 3.300 . 4.800 3.034 2.376 3.473 . 0 0 "[ . 1 . 2]" 1
403 1 70 CYS HB2 1 87 PHE QD 4.150 . 6.500 3.245 2.948 3.391 . 0 0 "[ . 1 . 2]" 1
404 1 70 CYS HB3 1 86 ASP HA 3.300 . 4.800 3.411 2.729 3.787 . 0 0 "[ . 1 . 2]" 1
405 1 70 CYS HA 1 70 CYS HB3 2.700 . 3.600 2.438 2.353 2.509 . 0 0 "[ . 1 . 2]" 1
406 1 71 HIS HA 1 72 PRO HD2 2.700 . 3.600 2.298 2.193 2.471 . 0 0 "[ . 1 . 2]" 1
407 1 71 HIS HA 1 71 HIS HD2 2.700 . 3.600 2.545 2.299 3.012 . 0 0 "[ . 1 . 2]" 1
408 1 71 HIS HA 1 71 HIS HB3 2.700 . 3.600 3.023 3.003 3.044 . 0 0 "[ . 1 . 2]" 1
409 1 71 HIS QB 1 71 HIS HD2 3.550 . 5.300 2.987 2.768 3.109 . 0 0 "[ . 1 . 2]" 1
410 1 71 HIS HB3 1 73 TYR QE 3.750 . 5.700 3.649 2.721 4.461 . 0 0 "[ . 1 . 2]" 1
411 1 71 HIS HE1 1 75 VAL QG 4.250 . 6.700 2.438 1.898 2.988 . 0 0 "[ . 1 . 2]" 1
412 1 71 HIS HD2 1 72 PRO HD3 3.100 . 4.400 3.516 3.269 4.140 . 0 0 "[ . 1 . 2]" 1
413 1 71 HIS HD2 1 72 PRO HD2 3.100 . 4.400 2.567 2.166 3.515 . 0 0 "[ . 1 . 2]" 1
414 1 71 HIS HA 1 85 GLY HA3 3.100 . 4.400 2.408 2.036 2.725 . 0 0 "[ . 1 . 2]" 1
415 1 71 HIS HA 1 72 PRO HD3 2.700 . 3.600 2.087 2.033 2.132 . 0 0 "[ . 1 . 2]" 1
416 1 71 HIS HD2 1 85 GLY HA2 3.300 . 4.800 4.706 4.127 4.872 0.072 7 0 "[ . 1 . 2]" 1
417 1 71 HIS HD2 1 75 VAL QG 4.450 . 7.100 4.064 3.474 4.862 . 0 0 "[ . 1 . 2]" 1
418 1 71 HIS HB3 1 72 PRO HD3 3.300 . 4.800 4.775 4.643 4.828 0.028 10 0 "[ . 1 . 2]" 1
419 1 71 HIS HB3 1 72 PRO HD2 3.300 . 4.800 4.193 3.916 4.403 . 0 0 "[ . 1 . 2]" 1
420 1 71 HIS HA 1 85 GLY HA2 3.100 . 4.400 4.130 3.795 4.421 0.021 15 0 "[ . 1 . 2]" 1
421 1 71 HIS HA 1 71 HIS HB2 2.700 . 3.600 2.591 2.537 2.651 . 0 0 "[ . 1 . 2]" 1
422 1 72 PRO HD3 1 85 GLY HA2 3.100 . 4.400 3.192 2.892 3.465 . 0 0 "[ . 1 . 2]" 1
423 1 72 PRO HD2 1 85 GLY HA2 3.100 . 4.400 4.381 4.136 4.439 0.039 10 0 "[ . 1 . 2]" 1
424 1 72 PRO QD 1 75 VAL QG 4.650 . 7.500 3.151 2.807 3.453 . 0 0 "[ . 1 . 2]" 1
425 1 72 PRO HA 1 83 LEU MD2 3.800 . 5.800 4.530 4.374 4.655 . 0 0 "[ . 1 . 2]" 1
426 1 73 TYR QD 1 75 VAL HB 4.150 . 6.500 4.933 4.539 5.473 . 0 0 "[ . 1 . 2]" 1
427 1 73 TYR HA 1 75 VAL QG 4.250 . 6.700 2.967 2.857 3.070 . 0 0 "[ . 1 . 2]" 1
428 1 73 TYR QR 1 75 VAL QG 5.450 . 9.100 2.697 2.379 3.402 . 0 0 "[ . 1 . 2]" 1
429 1 73 TYR HA 1 73 TYR QD 3.350 . 4.900 2.652 2.320 2.888 . 0 0 "[ . 1 . 2]" 1
430 1 73 TYR HA 1 73 TYR QE 3.750 . 5.700 4.399 4.302 4.521 . 0 0 "[ . 1 . 2]" 1
431 1 73 TYR QD 1 74 PRO HG3 4.350 . 6.900 5.721 4.551 6.059 . 0 0 "[ . 1 . 2]" 1
432 1 73 TYR QB 1 75 VAL QG 4.850 . 7.900 4.222 4.057 4.479 . 0 0 "[ . 1 . 2]" 1
433 1 73 TYR QD 1 74 PRO HG2 4.350 . 6.900 5.893 5.661 6.107 . 0 0 "[ . 1 . 2]" 1
434 1 73 TYR QR 1 74 PRO QB 4.750 . 7.700 3.633 3.382 4.012 . 0 0 "[ . 1 . 2]" 1
435 1 73 TYR HA 1 73 TYR HB3 2.700 . 3.600 2.555 2.480 2.625 . 0 0 "[ . 1 . 2]" 1
436 1 73 TYR QD 1 74 PRO HD2 4.350 . 6.900 5.847 5.704 5.987 . 0 0 "[ . 1 . 2]" 1
437 1 73 TYR QD 1 74 PRO HD3 4.350 . 6.900 5.336 5.133 5.547 . 0 0 "[ . 1 . 2]" 1
438 1 73 TYR H 1 73 TYR QD 3.750 . 5.700 3.351 3.078 3.743 . 0 0 "[ . 1 . 2]" 1
439 1 74 PRO HB3 1 74 PRO HD3 3.100 . 4.400 3.192 3.055 4.072 . 0 0 "[ . 1 . 2]" 1
440 1 74 PRO HA 1 74 PRO HB3 2.700 . 3.600 2.301 2.283 2.323 . 0 0 "[ . 1 . 2]" 1
441 1 74 PRO HB2 1 74 PRO HG3 2.300 . 2.800 2.683 2.646 2.935 0.135 10 0 "[ . 1 . 2]" 1
442 1 74 PRO HG3 1 77 LEU MD2 3.800 . 5.800 3.910 3.453 4.801 . 0 0 "[ . 1 . 2]" 1
443 1 74 PRO HD2 1 74 PRO HG3 2.700 . 3.600 2.788 2.760 3.041 . 0 0 "[ . 1 . 2]" 1
444 1 74 PRO HB2 1 74 PRO HD3 3.100 . 4.400 3.989 3.747 4.036 . 0 0 "[ . 1 . 2]" 1
445 1 74 PRO HD3 1 74 PRO HG3 2.700 . 3.600 2.261 2.240 2.355 . 0 0 "[ . 1 . 2]" 1
446 1 74 PRO HA 1 74 PRO HG3 3.100 . 4.400 3.893 2.813 3.996 . 0 0 "[ . 1 . 2]" 1
447 1 74 PRO HD2 1 77 LEU MD2 3.600 . 5.400 3.113 2.678 3.816 . 0 0 "[ . 1 . 2]" 1
448 1 74 PRO HA 1 74 PRO HG2 3.100 . 4.400 3.819 3.777 3.878 . 0 0 "[ . 1 . 2]" 1
449 1 74 PRO HD3 1 74 PRO HG2 2.700 . 3.600 2.922 2.640 2.950 . 0 0 "[ . 1 . 2]" 1
450 1 74 PRO HD2 1 74 PRO HG2 2.700 . 3.600 2.271 2.232 2.480 . 0 0 "[ . 1 . 2]" 1
451 1 74 PRO HG2 1 77 LEU MD2 3.600 . 5.400 2.500 2.016 3.637 . 0 0 "[ . 1 . 2]" 1
452 1 75 VAL HA 1 83 LEU MD1 3.600 . 5.400 4.323 4.056 4.446 . 0 0 "[ . 1 . 2]" 1
453 1 75 VAL MG1 1 83 LEU HA 3.600 . 5.400 4.356 4.261 4.410 . 0 0 "[ . 1 . 2]" 1
454 1 75 VAL QG 1 82 VAL HA 4.250 . 6.700 3.397 3.002 3.723 . 0 0 "[ . 1 . 2]" 1
455 1 75 VAL HA 1 83 LEU MD2 3.600 . 5.400 3.392 3.107 3.695 . 0 0 "[ . 1 . 2]" 1
456 1 75 VAL QG 1 84 SER HA 4.450 . 7.100 3.713 3.409 4.022 . 0 0 "[ . 1 . 2]" 1
457 1 76 ILE MD 1 80 ARG HA 3.800 . 5.800 4.096 2.687 4.997 . 0 0 "[ . 1 . 2]" 1
458 1 76 ILE HA 1 76 ILE MD 3.200 . 4.600 2.173 1.903 2.564 . 0 0 "[ . 1 . 2]" 1
459 1 76 ILE MG 1 80 ARG HA 2.800 . 3.800 2.115 1.820 2.403 . 0 0 "[ . 1 . 2]" 1
460 1 76 ILE HA 1 76 ILE MG 2.800 . 3.800 2.686 2.448 2.841 . 0 0 "[ . 1 . 2]" 1
461 1 76 ILE HA 1 76 ILE HG13 2.700 . 3.600 2.984 2.338 3.611 0.011 1 0 "[ . 1 . 2]" 1
462 1 76 ILE HA 1 76 ILE HB 2.700 . 3.600 2.989 2.948 3.028 . 0 0 "[ . 1 . 2]" 1
463 1 76 ILE HA 1 80 ARG HA 3.300 . 4.800 4.432 4.095 4.830 0.030 4 0 "[ . 1 . 2]" 1
464 1 76 ILE HA 1 77 LEU HB2 3.300 . 4.800 4.399 4.311 4.471 . 0 0 "[ . 1 . 2]" 1
465 1 76 ILE HG13 1 80 ARG HA 3.100 . 4.400 4.008 3.401 4.520 0.120 15 0 "[ . 1 . 2]" 1
466 1 76 ILE MG 1 80 ARG HB3 3.800 . 5.800 4.587 4.144 4.782 . 0 0 "[ . 1 . 2]" 1
467 1 76 ILE MG 1 80 ARG HB2 3.600 . 5.400 3.791 3.116 4.273 . 0 0 "[ . 1 . 2]" 1
468 1 77 LEU MD2 1 83 LEU MD2 3.700 . 5.600 2.525 2.313 3.112 . 0 0 "[ . 1 . 2]" 1
469 1 77 LEU MD2 1 78 PRO HD3 3.200 . 4.600 2.607 2.510 2.732 . 0 0 "[ . 1 . 2]" 1
470 1 77 LEU HA 1 77 LEU MD2 2.800 . 3.800 2.019 1.991 2.039 . 0 0 "[ . 1 . 2]" 1
471 1 77 LEU HA 1 77 LEU MD1 3.200 . 4.600 3.774 3.757 3.787 . 0 0 "[ . 1 . 2]" 1
472 1 77 LEU MD1 1 78 PRO HD3 3.200 . 4.600 3.760 3.744 3.781 . 0 0 "[ . 1 . 2]" 1
473 1 77 LEU HG 1 78 PRO HD3 3.300 . 4.800 4.568 4.525 4.639 . 0 0 "[ . 1 . 2]" 1
474 1 77 LEU HA 1 78 PRO QD 3.150 . 4.500 2.186 2.101 2.269 . 0 0 "[ . 1 . 2]" 1
475 1 77 LEU HA 1 77 LEU HB3 2.700 . 3.600 2.511 2.481 2.539 . 0 0 "[ . 1 . 2]" 1
476 1 78 PRO HD3 1 78 PRO HG2 2.700 . 3.600 2.673 2.660 2.698 . 0 0 "[ . 1 . 2]" 1
477 1 78 PRO HA 1 78 PRO HG3 3.100 . 4.400 3.069 2.962 3.219 . 0 0 "[ . 1 . 2]" 1
478 1 78 PRO HB3 1 78 PRO HG2 2.700 . 3.600 2.641 2.613 2.674 . 0 0 "[ . 1 . 2]" 1
479 1 78 PRO HB2 1 78 PRO HG3 2.700 . 3.600 3.013 3.004 3.023 . 0 0 "[ . 1 . 2]" 1
480 1 78 PRO HB2 1 78 PRO HD3 3.100 . 4.400 3.862 3.821 3.922 . 0 0 "[ . 1 . 2]" 1
481 1 78 PRO HA 1 78 PRO HB2 2.300 . 2.800 2.897 2.877 2.915 0.115 16 0 "[ . 1 . 2]" 1
482 1 78 PRO HA 1 78 PRO QD 3.150 . 4.500 3.481 3.466 3.506 . 0 0 "[ . 1 . 2]" 1
483 1 78 PRO HA 1 78 PRO HB3 2.300 . 2.800 2.279 2.257 2.307 . 0 0 "[ . 1 . 2]" 1
484 1 78 PRO HA 1 78 PRO HG2 3.100 . 4.400 3.995 3.952 4.056 . 0 0 "[ . 1 . 2]" 1
485 1 78 PRO HD3 1 78 PRO HG3 2.700 . 3.600 2.406 2.386 2.427 . 0 0 "[ . 1 . 2]" 1
486 1 79 ASP HA 1 79 ASP HB2 2.300 . 2.800 2.439 2.370 2.548 . 0 0 "[ . 1 . 2]" 1
487 1 80 ARG HB3 1 80 ARG HG3 2.300 . 2.800 2.694 2.461 2.953 0.153 11 0 "[ . 1 . 2]" 1
488 1 80 ARG HA 1 80 ARG HB2 2.300 . 2.800 2.480 2.374 2.576 . 0 0 "[ . 1 . 2]" 1
489 1 80 ARG HA 1 80 ARG HG3 2.300 . 2.800 2.709 2.325 2.912 0.112 3 0 "[ . 1 . 2]" 1
490 1 80 ARG HA 1 80 ARG HG2 3.100 . 4.400 3.576 2.464 3.912 . 0 0 "[ . 1 . 2]" 1
491 1 80 ARG HB2 1 80 ARG HG3 2.700 . 3.600 2.760 2.220 3.003 . 0 0 "[ . 1 . 2]" 1
492 1 81 SER QB 1 83 LEU HA 3.750 . 5.700 5.018 4.780 5.152 . 0 0 "[ . 1 . 2]" 1
493 1 82 VAL HA 1 82 VAL MG2 2.800 . 3.800 2.253 2.154 2.342 . 0 0 "[ . 1 . 2]" 1
494 1 82 VAL HA 1 82 VAL MG1 2.800 . 3.800 2.722 2.646 2.827 . 0 0 "[ . 1 . 2]" 1
495 1 82 VAL HA 1 82 VAL HB 2.700 . 3.600 2.990 2.956 3.001 . 0 0 "[ . 1 . 2]" 1
496 1 83 LEU HA 1 83 LEU MD1 3.200 . 4.600 2.067 2.017 2.141 . 0 0 "[ . 1 . 2]" 1
497 1 83 LEU HA 1 83 LEU MD2 3.200 . 4.600 3.771 3.749 3.802 . 0 0 "[ . 1 . 2]" 1
498 1 83 LEU HA 1 83 LEU HB3 2.700 . 3.600 2.654 2.612 2.677 . 0 0 "[ . 1 . 2]" 1
499 1 83 LEU HA 1 83 LEU HB2 2.700 . 3.600 2.949 2.931 2.979 . 0 0 "[ . 1 . 2]" 1
500 1 86 ASP QB 1 91 TYR QR 4.750 . 7.700 2.256 1.963 2.740 . 0 0 "[ . 1 . 2]" 1
501 1 87 PHE HB3 1 90 ALA MB 3.600 . 5.400 4.297 3.936 4.407 . 0 0 "[ . 1 . 2]" 1
502 1 87 PHE HB2 1 90 ALA MB 3.600 . 5.400 3.298 2.781 3.635 . 0 0 "[ . 1 . 2]" 1
503 1 87 PHE HA 1 87 PHE HB3 2.300 . 2.800 2.552 2.476 2.626 . 0 0 "[ . 1 . 2]" 1
504 1 87 PHE HB2 1 87 PHE QE 4.150 . 6.500 4.440 4.412 4.476 . 0 0 "[ . 1 . 2]" 1
505 1 87 PHE HA 1 87 PHE HB2 2.300 . 2.800 2.959 2.941 2.971 0.171 4 0 "[ . 1 . 2]" 1
506 1 87 PHE QD 1 89 SER HB3 4.350 . 6.900 4.997 4.183 5.601 . 0 0 "[ . 1 . 2]" 1
507 1 87 PHE QD 1 89 SER HB2 4.350 . 6.900 5.192 3.682 6.136 . 0 0 "[ . 1 . 2]" 1
508 1 87 PHE HA 1 87 PHE QD 3.350 . 4.900 3.197 3.146 3.272 . 0 0 "[ . 1 . 2]" 1
509 1 87 PHE HB3 1 87 PHE QD 3.150 . 4.500 2.381 2.337 2.440 . 0 0 "[ . 1 . 2]" 1
510 1 87 PHE HB3 1 87 PHE QE 3.350 . 4.900 4.427 4.401 4.470 . 0 0 "[ . 1 . 2]" 1
511 1 88 THR MG 1 91 TYR QD 4.650 . 7.500 4.728 4.276 5.073 . 0 0 "[ . 1 . 2]" 1
512 1 88 THR MG 1 91 TYR HB3 3.800 . 5.800 3.643 3.030 4.293 . 0 0 "[ . 1 . 2]" 1
513 1 88 THR MG 1 91 TYR HB2 3.800 . 5.800 3.425 3.027 3.723 . 0 0 "[ . 1 . 2]" 1
514 1 88 THR HA 1 91 TYR HB3 3.100 . 4.400 3.473 2.897 4.063 . 0 0 "[ . 1 . 2]" 1
515 1 88 THR HA 1 88 THR HB 2.300 . 2.800 2.927 2.888 2.946 0.146 14 0 "[ . 1 . 2]" 1
516 1 90 ALA MB 1 91 TYR QD 3.850 . 5.900 2.680 2.400 3.082 . 0 0 "[ . 1 . 2]" 1
517 1 90 ALA MB 1 91 TYR QE 4.300 . 6.800 3.665 3.046 4.257 . 0 0 "[ . 1 . 2]" 1
518 1 91 TYR HA 1 91 TYR HB3 2.300 . 2.800 2.686 2.610 2.803 0.003 20 0 "[ . 1 . 2]" 1
519 1 91 TYR HB2 1 91 TYR QE 4.150 . 6.500 4.417 4.365 4.463 . 0 0 "[ . 1 . 2]" 1
520 1 91 TYR HA 1 91 TYR QD 3.350 . 4.900 2.958 2.544 3.100 . 0 0 "[ . 1 . 2]" 1
521 1 91 TYR QD 1 92 ALA HA 4.150 . 6.500 4.984 4.238 5.681 . 0 0 "[ . 1 . 2]" 1
522 1 91 TYR HA 1 91 TYR QE 3.750 . 5.700 4.493 4.206 4.646 . 0 0 "[ . 1 . 2]" 1
523 1 91 TYR HB2 1 91 TYR QD 3.150 . 4.500 2.498 2.364 2.619 . 0 0 "[ . 1 . 2]" 1
524 1 91 TYR HB3 1 91 TYR QE 4.150 . 6.500 4.388 4.347 4.417 . 0 0 "[ . 1 . 2]" 1
525 1 91 TYR HA 1 91 TYR HB2 2.300 . 2.800 2.891 2.823 2.925 0.125 7 0 "[ . 1 . 2]" 1
526 1 91 TYR HB3 1 91 TYR QD 3.150 . 4.500 2.311 2.246 2.393 . 0 0 "[ . 1 . 2]" 1
527 1 96 GLU HA 1 96 GLU HB3 2.300 . 2.800 2.604 2.309 2.957 0.157 10 0 "[ . 1 . 2]" 1
528 1 96 GLU HA 1 96 GLU HG2 2.700 . 3.600 3.038 2.380 3.706 0.106 14 0 "[ . 1 . 2]" 1
529 1 96 GLU HA 1 96 GLU HB2 2.300 . 2.800 2.704 2.444 2.954 0.154 2 0 "[ . 1 . 2]" 1
530 1 20 GLY QA 1 21 ARG H 3.550 . 5.300 2.216 2.085 2.334 . 0 0 "[ . 1 . 2]" 1
531 1 21 ARG HA 1 22 GLU H 2.700 . 3.600 2.532 1.889 3.529 . 0 0 "[ . 1 . 2]" 1
532 1 21 ARG HB2 1 22 GLU H 3.300 . 4.800 3.950 2.087 4.552 . 0 0 "[ . 1 . 2]" 1
533 1 21 ARG HG3 1 22 GLU H 3.300 . 4.800 3.743 2.161 4.865 0.065 18 0 "[ . 1 . 2]" 1
534 1 21 ARG HB3 1 22 GLU H 3.300 . 4.800 4.001 2.870 4.503 . 0 0 "[ . 1 . 2]" 1
535 1 22 GLU QG 1 23 ASN H 3.550 . 5.300 3.804 2.280 4.508 . 0 0 "[ . 1 . 2]" 1
536 1 22 GLU H 1 23 ASN H 3.300 . 4.800 3.623 2.085 4.402 . 0 0 "[ . 1 . 2]" 1
537 1 22 GLU QB 1 23 ASN H 3.550 . 5.300 3.143 1.928 3.988 . 0 0 "[ . 1 . 2]" 1
538 1 22 GLU HA 1 23 ASN H 2.700 . 3.600 2.620 1.959 3.584 . 0 0 "[ . 1 . 2]" 1
539 1 23 ASN H 1 24 LEU H 3.300 . 4.800 3.407 1.839 4.638 . 0 0 "[ . 1 . 2]" 1
540 1 23 ASN HB2 1 24 LEU H 2.700 . 3.600 2.890 1.921 3.643 0.043 18 0 "[ . 1 . 2]" 1
541 1 23 ASN HB3 1 24 LEU H 2.700 . 3.600 2.907 1.790 3.711 0.111 7 0 "[ . 1 . 2]" 1
542 1 24 LEU HB2 1 25 TYR H 2.700 . 3.600 3.375 2.129 3.785 0.185 12 0 "[ . 1 . 2]" 1
543 1 24 LEU QD 1 25 TYR H 3.850 . 5.900 3.308 2.653 3.716 . 0 0 "[ . 1 . 2]" 1
544 1 24 LEU HA 1 25 TYR H 2.300 . 2.800 2.540 2.186 2.817 0.017 6 0 "[ . 1 . 2]" 1
545 1 24 LEU HA 1 26 PHE H 3.300 . 4.800 4.790 3.961 4.903 0.103 17 0 "[ . 1 . 2]" 1
546 1 24 LEU HB3 1 25 TYR H 2.700 . 3.600 2.409 1.813 3.615 0.015 2 0 "[ . 1 . 2]" 1
547 1 25 TYR QB 1 26 PHE H 3.150 . 4.500 3.966 3.714 4.033 . 0 0 "[ . 1 . 2]" 1
548 1 25 TYR H 1 25 TYR HB2 2.300 . 2.800 2.697 2.463 2.868 0.068 12 0 "[ . 1 . 2]" 1
549 1 25 TYR H 1 25 TYR HB3 2.300 . 2.800 2.575 2.388 2.825 0.025 15 0 "[ . 1 . 2]" 1
550 1 25 TYR QR 1 26 PHE H 4.300 . 6.800 4.216 3.645 4.534 . 0 0 "[ . 1 . 2]" 1
551 1 25 TYR HA 1 26 PHE H 2.100 . 2.400 2.219 2.041 2.572 0.172 6 0 "[ . 1 . 2]" 1
552 1 25 TYR H 1 25 TYR QR 3.900 . 6.000 4.189 4.117 4.283 . 0 0 "[ . 1 . 2]" 1
553 1 26 PHE HB3 1 27 GLN H 3.100 . 4.400 3.653 2.002 4.426 0.026 10 0 "[ . 1 . 2]" 1
554 1 26 PHE HB2 1 27 GLN H 3.100 . 4.400 3.798 1.997 4.465 0.065 1 0 "[ . 1 . 2]" 1
555 1 26 PHE H 1 27 GLN H 3.300 . 4.800 3.419 1.932 4.674 . 0 0 "[ . 1 . 2]" 1
556 1 26 PHE HA 1 27 GLN H 3.100 . 4.400 2.634 1.768 3.559 0.032 17 0 "[ . 1 . 2]" 1
557 1 27 GLN HA 1 28 GLY H 3.100 . 4.400 2.293 2.090 3.453 . 0 0 "[ . 1 . 2]" 1
558 1 27 GLN H 1 27 GLN HA 2.700 . 3.600 2.883 2.811 2.929 . 0 0 "[ . 1 . 2]" 1
559 1 27 GLN H 1 27 GLN HB2 2.700 . 3.600 2.911 2.367 3.675 0.075 10 0 "[ . 1 . 2]" 1
560 1 27 GLN H 1 27 GLN QG 3.150 . 4.500 3.459 1.807 4.089 . 0 0 "[ . 1 . 2]" 1
561 1 27 GLN H 1 27 GLN HB3 2.700 . 3.600 2.923 2.410 3.749 0.149 2 0 "[ . 1 . 2]" 1
562 1 30 MET QG 1 31 ALA H 3.550 . 5.300 3.937 2.493 4.653 . 0 0 "[ . 1 . 2]" 1
563 1 30 MET HA 1 31 ALA H 2.100 . 2.400 2.178 1.966 2.470 0.070 6 0 "[ . 1 . 2]" 1
564 1 30 MET QG 1 32 TRP H 3.550 . 5.300 4.193 2.936 4.783 . 0 0 "[ . 1 . 2]" 1
565 1 30 MET QB 1 32 TRP H 3.550 . 5.300 4.153 3.129 4.724 . 0 0 "[ . 1 . 2]" 1
566 1 30 MET HA 1 32 TRP HE1 3.300 . 4.800 4.099 2.962 4.870 0.070 15 0 "[ . 1 . 2]" 1
567 1 30 MET QB 1 31 ALA H 3.150 . 4.500 3.452 1.946 3.967 . 0 0 "[ . 1 . 2]" 1
568 1 31 ALA MB 1 32 TRP H 3.200 . 4.600 3.554 3.413 3.634 . 0 0 "[ . 1 . 2]" 1
569 1 31 ALA H 1 32 TRP H 3.300 . 4.800 3.668 2.831 4.237 . 0 0 "[ . 1 . 2]" 1
570 1 31 ALA HA 1 32 TRP H 2.000 . 2.200 2.192 2.099 2.258 0.058 17 0 "[ . 1 . 2]" 1
571 1 32 TRP H 1 88 THR MG 3.600 . 5.400 4.141 3.676 4.417 . 0 0 "[ . 1 . 2]" 1
572 1 32 TRP HB3 1 33 LYS H 2.700 . 3.600 1.977 1.753 2.508 0.047 17 0 "[ . 1 . 2]" 1
573 1 32 TRP H 1 33 LYS H 3.100 . 4.400 4.396 4.273 4.484 0.084 18 0 "[ . 1 . 2]" 1
574 1 32 TRP HA 1 33 LYS H 2.300 . 2.800 2.640 2.287 2.825 0.025 10 0 "[ . 1 . 2]" 1
575 1 32 TRP HE3 1 33 LYS H 3.100 . 4.400 3.590 3.116 3.929 . 0 0 "[ . 1 . 2]" 1
576 1 32 TRP HB2 1 33 LYS H 2.700 . 3.600 3.315 3.119 3.673 0.073 16 0 "[ . 1 . 2]" 1
577 1 33 LYS H 1 33 LYS HA 2.700 . 3.600 2.912 2.850 2.934 . 0 0 "[ . 1 . 2]" 1
578 1 33 LYS QG 1 52 ASN QD 4.150 . 6.500 4.043 3.019 4.669 . 0 0 "[ . 1 . 2]" 1
579 1 33 LYS HB2 1 34 ASP H 2.300 . 2.800 2.889 2.831 2.945 0.145 10 0 "[ . 1 . 2]" 1
580 1 33 LYS HB2 1 35 CYS H 3.100 . 4.400 2.974 2.743 3.157 . 0 0 "[ . 1 . 2]" 1
581 1 33 LYS H 1 33 LYS QG 3.150 . 4.500 2.441 2.205 2.627 . 0 0 "[ . 1 . 2]" 1
582 1 33 LYS HA 1 35 CYS H 3.100 . 4.400 4.484 4.428 4.527 0.127 8 0 "[ . 1 . 2]" 1
583 1 33 LYS HB3 1 35 CYS H 2.700 . 3.600 3.111 2.801 3.370 . 0 0 "[ . 1 . 2]" 1
584 1 33 LYS H 1 50 THR HB 3.100 . 4.400 3.971 3.741 4.395 . 0 0 "[ . 1 . 2]" 1
585 1 33 LYS H 1 33 LYS QD 3.150 . 4.500 3.924 3.580 4.162 . 0 0 "[ . 1 . 2]" 1
586 1 33 LYS H 1 88 THR MG 3.800 . 5.800 3.276 2.934 3.534 . 0 0 "[ . 1 . 2]" 1
587 1 33 LYS H 1 33 LYS HB3 2.700 . 3.600 3.602 3.536 3.638 0.038 5 0 "[ . 1 . 2]" 1
588 1 33 LYS QG 1 34 ASP H 3.150 . 4.500 3.894 3.556 4.014 . 0 0 "[ . 1 . 2]" 1
589 1 33 LYS HA 1 34 ASP H 2.300 . 2.800 2.611 2.496 2.697 . 0 0 "[ . 1 . 2]" 1
590 1 33 LYS HB3 1 52 ASN H 3.100 . 4.400 3.317 3.107 3.581 . 0 0 "[ . 1 . 2]" 1
591 1 33 LYS HB3 1 51 ALA H 3.100 . 4.400 3.906 3.568 4.262 . 0 0 "[ . 1 . 2]" 1
592 1 33 LYS H 1 50 THR MG 3.200 . 4.600 2.769 2.462 2.973 . 0 0 "[ . 1 . 2]" 1
593 1 33 LYS HB3 1 34 ASP H 2.300 . 2.800 1.847 1.761 1.940 0.039 1 0 "[ . 1 . 2]" 1
594 1 33 LYS HB2 1 52 ASN H 3.300 . 4.800 4.186 3.803 4.627 . 0 0 "[ . 1 . 2]" 1
595 1 33 LYS QG 1 52 ASN H 3.150 . 4.500 3.642 3.138 4.077 . 0 0 "[ . 1 . 2]" 1
596 1 33 LYS QD 1 52 ASN QD 4.150 . 6.500 2.778 2.287 3.892 . 0 0 "[ . 1 . 2]" 1
597 1 33 LYS HB2 1 51 ALA H 3.100 . 4.400 2.798 2.628 2.962 . 0 0 "[ . 1 . 2]" 1
598 1 33 LYS QD 1 34 ASP H 3.150 . 4.500 3.618 3.219 4.036 . 0 0 "[ . 1 . 2]" 1
599 1 33 LYS QG 1 51 ALA H 3.750 . 5.700 3.858 3.179 4.760 . 0 0 "[ . 1 . 2]" 1
600 1 33 LYS H 1 33 LYS HB2 2.700 . 3.600 2.505 2.442 2.575 . 0 0 "[ . 1 . 2]" 1
601 1 34 ASP HA 1 53 ARG H 3.300 . 4.800 4.821 4.735 4.882 0.082 4 0 "[ . 1 . 2]" 1
602 1 34 ASP HB2 1 35 CYS H 2.700 . 3.600 3.145 2.625 3.652 0.052 12 0 "[ . 1 . 2]" 1
603 1 34 ASP H 1 52 ASN HA 2.300 . 2.800 2.099 1.924 2.274 . 0 0 "[ . 1 . 2]" 1
604 1 34 ASP H 1 34 ASP HB3 2.700 . 3.600 3.423 2.844 3.613 0.013 7 0 "[ . 1 . 2]" 1
605 1 34 ASP H 1 34 ASP HA 2.300 . 2.800 2.849 2.825 2.877 0.077 11 0 "[ . 1 . 2]" 1
606 1 34 ASP HB3 1 35 CYS H 3.100 . 4.400 3.469 2.812 3.797 . 0 0 "[ . 1 . 2]" 1
607 1 34 ASP HA 1 35 CYS H 2.700 . 3.600 3.410 3.336 3.464 . 0 0 "[ . 1 . 2]" 1
608 1 34 ASP H 1 52 ASN H 3.100 . 4.400 4.368 4.139 4.485 0.085 16 0 "[ . 1 . 2]" 1
609 1 34 ASP H 1 53 ARG H 3.100 . 4.400 3.702 3.556 3.893 . 0 0 "[ . 1 . 2]" 1
610 1 34 ASP H 1 35 CYS H 2.700 . 3.600 2.419 2.277 2.535 . 0 0 "[ . 1 . 2]" 1
611 1 34 ASP H 1 34 ASP HB2 2.700 . 3.600 2.233 2.157 2.354 . 0 0 "[ . 1 . 2]" 1
612 1 34 ASP HB2 1 53 ARG H 2.700 . 3.600 2.151 1.884 2.664 . 0 0 "[ . 1 . 2]" 1
613 1 35 CYS H 1 35 CYS HB3 3.100 . 4.400 3.733 3.691 3.764 . 0 0 "[ . 1 . 2]" 1
614 1 35 CYS QB 1 86 ASP H 3.750 . 5.700 4.126 3.759 4.450 . 0 0 "[ . 1 . 2]" 1
615 1 35 CYS HB3 1 36 ILE H 3.100 . 4.400 2.881 2.677 2.991 . 0 0 "[ . 1 . 2]" 1
616 1 35 CYS HB2 1 36 ILE H 3.100 . 4.400 3.844 3.686 3.949 . 0 0 "[ . 1 . 2]" 1
617 1 35 CYS HB2 1 51 ALA H 2.700 . 3.600 3.183 3.034 3.292 . 0 0 "[ . 1 . 2]" 1
618 1 35 CYS HA 1 36 ILE H 2.000 . 2.200 2.166 2.102 2.225 0.025 18 0 "[ . 1 . 2]" 1
619 1 35 CYS HB3 1 51 ALA H 3.300 . 4.800 4.307 4.204 4.380 . 0 0 "[ . 1 . 2]" 1
620 1 35 CYS H 1 35 CYS HA 2.700 . 3.600 2.962 2.949 2.975 . 0 0 "[ . 1 . 2]" 1
621 1 35 CYS H 1 51 ALA MB 3.800 . 5.800 4.242 4.132 4.462 . 0 0 "[ . 1 . 2]" 1
622 1 35 CYS H 1 52 ASN HA 2.700 . 3.600 2.904 2.683 3.271 . 0 0 "[ . 1 . 2]" 1
623 1 35 CYS H 1 35 CYS HB2 3.100 . 4.400 2.537 2.462 2.594 . 0 0 "[ . 1 . 2]" 1
624 1 35 CYS HA 1 88 THR H 2.700 . 3.600 2.478 2.383 2.571 . 0 0 "[ . 1 . 2]" 1
625 1 35 CYS H 1 51 ALA H 2.700 . 3.600 3.263 3.152 3.355 . 0 0 "[ . 1 . 2]" 1
626 1 36 ILE HB 1 86 ASP H 3.300 . 4.800 4.893 4.828 4.932 0.132 18 0 "[ . 1 . 2]" 1
627 1 36 ILE H 1 87 PHE HA 2.700 . 3.600 3.169 3.085 3.279 . 0 0 "[ . 1 . 2]" 1
628 1 36 ILE HB 1 88 THR H 3.300 . 4.800 3.676 3.469 3.794 . 0 0 "[ . 1 . 2]" 1
629 1 36 ILE H 1 36 ILE HB 3.100 . 4.400 2.942 2.832 2.990 . 0 0 "[ . 1 . 2]" 1
630 1 36 ILE H 1 36 ILE MD 3.800 . 5.800 4.591 4.492 4.673 . 0 0 "[ . 1 . 2]" 1
631 1 36 ILE H 1 36 ILE HA 2.700 . 3.600 2.923 2.913 2.929 . 0 0 "[ . 1 . 2]" 1
632 1 36 ILE H 1 70 CYS HA 3.300 . 4.800 4.909 4.869 4.957 0.157 10 0 "[ . 1 . 2]" 1
633 1 36 ILE MD 1 37 ILE H 3.800 . 5.800 4.195 4.108 4.318 . 0 0 "[ . 1 . 2]" 1
634 1 36 ILE H 1 36 ILE MG 3.200 . 4.600 2.209 2.133 2.356 . 0 0 "[ . 1 . 2]" 1
635 1 36 ILE HA 1 37 ILE H 2.000 . 2.200 2.182 2.125 2.208 0.008 15 0 "[ . 1 . 2]" 1
636 1 36 ILE HB 1 37 ILE H 3.100 . 4.400 4.208 4.146 4.264 . 0 0 "[ . 1 . 2]" 1
637 1 36 ILE H 1 86 ASP H 2.700 . 3.600 2.876 2.705 3.012 . 0 0 "[ . 1 . 2]" 1
638 1 36 ILE MG 1 88 THR H 3.800 . 5.800 3.543 3.376 3.682 . 0 0 "[ . 1 . 2]" 1
639 1 36 ILE H 1 88 THR MG 3.600 . 5.400 4.432 4.321 4.494 . 0 0 "[ . 1 . 2]" 1
640 1 36 ILE HG13 1 37 ILE H 3.100 . 4.400 2.643 2.469 2.755 . 0 0 "[ . 1 . 2]" 1
641 1 37 ILE MD 1 85 GLY H 3.800 . 5.800 4.351 3.976 4.766 . 0 0 "[ . 1 . 2]" 1
642 1 37 ILE H 1 37 ILE HA 2.700 . 3.600 2.923 2.895 2.943 . 0 0 "[ . 1 . 2]" 1
643 1 37 ILE HB 1 38 GLN H 3.300 . 4.800 4.212 4.030 4.390 . 0 0 "[ . 1 . 2]" 1
644 1 37 ILE MD 1 86 ASP H 3.200 . 4.600 3.082 2.930 3.375 . 0 0 "[ . 1 . 2]" 1
645 1 37 ILE H 1 37 ILE HG12 3.100 . 4.400 2.964 2.739 4.444 0.044 6 0 "[ . 1 . 2]" 1
646 1 37 ILE H 1 37 ILE MG 3.200 . 4.600 3.843 3.681 3.882 . 0 0 "[ . 1 . 2]" 1
647 1 37 ILE HA 1 86 ASP H 2.700 . 3.600 3.657 3.555 3.715 0.115 10 0 "[ . 1 . 2]" 1
648 1 37 ILE HA 1 84 SER H 3.100 . 4.400 4.373 4.151 4.462 0.062 3 0 "[ . 1 . 2]" 1
649 1 37 ILE H 1 49 TYR QD 4.350 . 6.900 5.126 4.775 5.336 . 0 0 "[ . 1 . 2]" 1
650 1 37 ILE H 1 37 ILE MD 3.200 . 4.600 3.402 2.849 3.534 . 0 0 "[ . 1 . 2]" 1
651 1 37 ILE HB 1 49 TYR H 3.100 . 4.400 3.755 3.467 3.972 . 0 0 "[ . 1 . 2]" 1
652 1 37 ILE H 1 50 THR HA 2.700 . 3.600 2.410 2.235 2.572 . 0 0 "[ . 1 . 2]" 1
653 1 37 ILE HA 1 38 GLN H 2.000 . 2.200 2.112 1.948 2.206 0.006 11 0 "[ . 1 . 2]" 1
654 1 37 ILE QG 1 38 GLN H 3.750 . 5.700 4.738 3.910 4.894 . 0 0 "[ . 1 . 2]" 1
655 1 37 ILE MG 1 38 GLN H 2.800 . 3.800 2.986 2.618 3.047 . 0 0 "[ . 1 . 2]" 1
656 1 37 ILE H 1 37 ILE HG13 3.100 . 4.400 4.200 4.131 4.381 . 0 0 "[ . 1 . 2]" 1
657 1 37 ILE H 1 37 ILE HB 2.700 . 3.600 2.670 2.511 2.753 . 0 0 "[ . 1 . 2]" 1
658 1 37 ILE MG 1 84 SER H 3.600 . 5.400 3.457 3.096 3.732 . 0 0 "[ . 1 . 2]" 1
659 1 37 ILE MD 1 38 GLN H 3.600 . 5.400 4.011 3.733 4.361 . 0 0 "[ . 1 . 2]" 1
660 1 38 GLN H 1 38 GLN HB3 2.700 . 3.600 3.599 3.515 3.662 0.062 4 0 "[ . 1 . 2]" 1
661 1 38 GLN H 1 84 SER QB 3.550 . 5.300 3.383 2.693 4.127 . 0 0 "[ . 1 . 2]" 1
662 1 38 GLN H 1 38 GLN HB2 2.700 . 3.600 2.398 2.319 2.652 . 0 0 "[ . 1 . 2]" 1
663 1 38 GLN H 1 39 ARG H 3.300 . 4.800 4.426 4.303 4.492 . 0 0 "[ . 1 . 2]" 1
664 1 38 GLN HA 1 39 ARG H 2.300 . 2.800 2.188 2.107 2.240 . 0 0 "[ . 1 . 2]" 1
665 1 38 GLN H 1 83 LEU HA 3.300 . 4.800 4.556 4.068 4.748 . 0 0 "[ . 1 . 2]" 1
666 1 38 GLN H 1 38 GLN HA 2.700 . 3.600 2.918 2.899 2.952 . 0 0 "[ . 1 . 2]" 1
667 1 38 GLN HB3 1 84 SER H 3.100 . 4.400 4.452 4.369 4.529 0.129 6 0 "[ . 1 . 2]" 1
668 1 38 GLN H 1 84 SER H 2.700 . 3.600 3.028 2.681 3.223 . 0 0 "[ . 1 . 2]" 1
669 1 38 GLN H 1 85 GLY HA2 3.100 . 4.400 3.358 2.967 3.708 . 0 0 "[ . 1 . 2]" 1
670 1 38 GLN H 1 38 GLN QG 3.150 . 4.500 2.576 2.005 2.990 . 0 0 "[ . 1 . 2]" 1
671 1 39 ARG HG3 1 40 TYR H 3.300 . 4.800 4.047 3.823 4.837 0.037 5 0 "[ . 1 . 2]" 1
672 1 39 ARG H 1 49 TYR QD 4.350 . 6.900 3.619 3.150 4.312 . 0 0 "[ . 1 . 2]" 1
673 1 39 ARG HA 1 82 VAL H 3.300 . 4.800 4.787 4.606 4.855 0.055 1 0 "[ . 1 . 2]" 1
674 1 39 ARG H 1 39 ARG HB2 2.700 . 3.600 2.589 2.294 2.721 . 0 0 "[ . 1 . 2]" 1
675 1 39 ARG H 1 45 VAL QG 4.200 . 6.600 2.959 2.372 3.636 . 0 0 "[ . 1 . 2]" 1
676 1 39 ARG H 1 39 ARG HG3 3.100 . 4.400 4.340 3.589 4.450 0.050 7 0 "[ . 1 . 2]" 1
677 1 39 ARG H 1 47 ASN H 3.100 . 4.400 3.344 3.107 3.579 . 0 0 "[ . 1 . 2]" 1
678 1 39 ARG HA 1 47 ASN H 3.300 . 4.800 4.694 4.429 4.831 0.031 12 0 "[ . 1 . 2]" 1
679 1 39 ARG H 1 39 ARG HA 2.700 . 3.600 2.908 2.891 2.924 . 0 0 "[ . 1 . 2]" 1
680 1 39 ARG H 1 39 ARG HB3 2.700 . 3.600 2.685 2.462 3.498 . 0 0 "[ . 1 . 2]" 1
681 1 39 ARG HA 1 40 TYR H 2.000 . 2.200 2.179 2.121 2.219 0.019 20 0 "[ . 1 . 2]" 1
682 1 39 ARG H 1 47 ASN HB3 3.300 . 4.800 4.609 4.132 4.832 0.032 17 0 "[ . 1 . 2]" 1
683 1 39 ARG QB 1 40 TYR H 3.750 . 5.700 3.817 3.465 3.902 . 0 0 "[ . 1 . 2]" 1
684 1 39 ARG QB 1 47 ASN H 3.550 . 5.300 2.255 1.999 2.484 . 0 0 "[ . 1 . 2]" 1
685 1 39 ARG H 1 39 ARG HG2 3.100 . 4.400 4.429 4.333 4.475 0.075 3 0 "[ . 1 . 2]" 1
686 1 39 ARG HA 1 84 SER H 3.100 . 4.400 3.699 3.541 3.856 . 0 0 "[ . 1 . 2]" 1
687 1 39 ARG HG2 1 40 TYR H 3.300 . 4.800 3.274 3.002 3.812 . 0 0 "[ . 1 . 2]" 1
688 1 40 TYR H 1 82 VAL HB 3.100 . 4.400 3.417 2.989 3.859 . 0 0 "[ . 1 . 2]" 1
689 1 40 TYR QE 1 44 ASP H 4.350 . 6.900 5.707 5.406 5.955 . 0 0 "[ . 1 . 2]" 1
690 1 40 TYR QE 1 45 VAL H 3.750 . 5.700 3.849 3.592 4.503 . 0 0 "[ . 1 . 2]" 1
691 1 40 TYR H 1 40 TYR HA 2.700 . 3.600 2.900 2.883 2.915 . 0 0 "[ . 1 . 2]" 1
692 1 40 TYR H 1 40 TYR HB2 2.700 . 3.600 2.243 2.176 2.361 . 0 0 "[ . 1 . 2]" 1
693 1 40 TYR HA 1 41 LYS H 2.000 . 2.200 2.163 2.074 2.228 0.028 9 0 "[ . 1 . 2]" 1
694 1 40 TYR H 1 83 LEU HA 3.100 . 4.400 3.142 3.041 3.334 . 0 0 "[ . 1 . 2]" 1
695 1 40 TYR QD 1 41 LYS H 3.750 . 5.700 4.170 3.496 4.667 . 0 0 "[ . 1 . 2]" 1
696 1 40 TYR H 1 81 SER HA 3.300 . 4.800 4.810 4.550 4.882 0.082 14 0 "[ . 1 . 2]" 1
697 1 40 TYR QD 1 45 VAL H 3.750 . 5.700 3.663 2.978 4.283 . 0 0 "[ . 1 . 2]" 1
698 1 40 TYR QD 1 43 GLY H 4.350 . 6.900 4.491 3.980 5.075 . 0 0 "[ . 1 . 2]" 1
699 1 40 TYR H 1 83 LEU MD1 3.600 . 5.400 3.061 2.922 3.268 . 0 0 "[ . 1 . 2]" 1
700 1 40 TYR QD 1 44 ASP H 3.750 . 5.700 3.851 3.577 4.215 . 0 0 "[ . 1 . 2]" 1
701 1 40 TYR H 1 82 VAL H 2.700 . 3.600 3.226 3.120 3.297 . 0 0 "[ . 1 . 2]" 1
702 1 40 TYR HB3 1 82 VAL H 3.100 . 4.400 3.770 3.533 4.133 . 0 0 "[ . 1 . 2]" 1
703 1 40 TYR QE 1 41 LYS H 4.350 . 6.900 6.039 5.655 6.447 . 0 0 "[ . 1 . 2]" 1
704 1 40 TYR QB 1 41 LYS H 3.550 . 5.300 3.128 2.718 3.468 . 0 0 "[ . 1 . 2]" 1
705 1 40 TYR QD 1 84 SER H 4.350 . 6.900 3.193 3.044 3.353 . 0 0 "[ . 1 . 2]" 1
706 1 40 TYR QD 1 82 VAL H 4.150 . 6.500 4.817 4.546 5.076 . 0 0 "[ . 1 . 2]" 1
707 1 40 TYR HB2 1 82 VAL H 3.100 . 4.400 3.047 2.717 3.385 . 0 0 "[ . 1 . 2]" 1
708 1 40 TYR H 1 40 TYR HB3 2.700 . 3.600 3.553 3.498 3.615 0.015 13 0 "[ . 1 . 2]" 1
709 1 40 TYR H 1 40 TYR QD 3.750 . 5.700 2.520 2.337 2.802 . 0 0 "[ . 1 . 2]" 1
710 1 41 LYS HA 1 42 ASP H 2.700 . 3.600 2.082 1.956 2.175 . 0 0 "[ . 1 . 2]" 1
711 1 41 LYS QB 1 82 VAL H 3.750 . 5.700 4.655 3.964 5.120 . 0 0 "[ . 1 . 2]" 1
712 1 41 LYS H 1 45 VAL QG 4.200 . 6.600 4.604 4.408 4.749 . 0 0 "[ . 1 . 2]" 1
713 1 41 LYS H 1 46 ASN H 3.100 . 4.400 3.047 2.686 3.626 . 0 0 "[ . 1 . 2]" 1
714 1 41 LYS H 1 41 LYS HB2 2.700 . 3.600 2.831 2.405 3.471 . 0 0 "[ . 1 . 2]" 1
715 1 41 LYS HB3 1 42 ASP H 3.300 . 4.800 4.011 3.738 4.378 . 0 0 "[ . 1 . 2]" 1
716 1 41 LYS H 1 44 ASP H 2.700 . 3.600 3.102 2.733 3.474 . 0 0 "[ . 1 . 2]" 1
717 1 41 LYS H 1 41 LYS HA 2.300 . 2.800 2.875 2.834 2.905 0.105 1 0 "[ . 1 . 2]" 1
718 1 41 LYS HB2 1 42 ASP H 3.300 . 4.800 4.365 4.002 4.467 . 0 0 "[ . 1 . 2]" 1
719 1 41 LYS HG3 1 42 ASP H 3.300 . 4.800 4.709 3.821 4.925 0.125 10 0 "[ . 1 . 2]" 1
720 1 41 LYS HG2 1 42 ASP H 3.300 . 4.800 3.983 3.351 4.841 0.041 8 0 "[ . 1 . 2]" 1
721 1 41 LYS H 1 41 LYS HB3 2.700 . 3.600 2.739 2.362 2.997 . 0 0 "[ . 1 . 2]" 1
722 1 41 LYS H 1 45 VAL HA 3.100 . 4.400 3.261 3.072 3.457 . 0 0 "[ . 1 . 2]" 1
723 1 41 LYS H 1 46 ASN QD 3.750 . 5.700 4.856 4.334 5.059 . 0 0 "[ . 1 . 2]" 1
724 1 42 ASP H 1 42 ASP HA 2.700 . 3.600 2.213 2.116 2.273 . 0 0 "[ . 1 . 2]" 1
725 1 42 ASP HB3 1 43 GLY H 3.100 . 4.400 4.355 4.283 4.403 0.003 14 0 "[ . 1 . 2]" 1
726 1 42 ASP HA 1 44 ASP H 3.100 . 4.400 4.478 4.334 4.547 0.147 12 0 "[ . 1 . 2]" 1
727 1 42 ASP QB 1 44 ASP H 3.750 . 5.700 3.886 3.398 4.557 . 0 0 "[ . 1 . 2]" 1
728 1 42 ASP H 1 42 ASP HB3 3.100 . 4.400 4.046 3.501 4.120 . 0 0 "[ . 1 . 2]" 1
729 1 42 ASP HB2 1 43 GLY H 3.100 . 4.400 4.234 4.037 4.466 0.066 11 0 "[ . 1 . 2]" 1
730 1 42 ASP HA 1 43 GLY H 2.700 . 3.600 2.722 2.393 2.895 . 0 0 "[ . 1 . 2]" 1
731 1 42 ASP H 1 42 ASP HB2 3.100 . 4.400 3.336 3.055 3.540 . 0 0 "[ . 1 . 2]" 1
732 1 43 GLY HA2 1 44 ASP H 2.700 . 3.600 3.415 3.245 3.533 . 0 0 "[ . 1 . 2]" 1
733 1 43 GLY H 1 43 GLY HA3 2.300 . 2.800 2.872 2.841 2.883 0.083 16 0 "[ . 1 . 2]" 1
734 1 43 GLY H 1 43 GLY HA2 2.700 . 3.600 2.332 2.290 2.363 . 0 0 "[ . 1 . 2]" 1
735 1 43 GLY H 1 44 ASP H 2.700 . 3.600 2.704 2.488 2.908 . 0 0 "[ . 1 . 2]" 1
736 1 43 GLY HA3 1 44 ASP H 2.700 . 3.600 3.274 3.099 3.414 . 0 0 "[ . 1 . 2]" 1
737 1 44 ASP H 1 44 ASP HB2 2.700 . 3.600 3.581 3.179 3.763 0.163 13 0 "[ . 1 . 2]" 1
738 1 44 ASP H 1 44 ASP HB3 2.700 . 3.600 3.103 2.636 3.431 . 0 0 "[ . 1 . 2]" 1
739 1 44 ASP H 1 44 ASP HA 2.700 . 3.600 2.901 2.878 2.918 . 0 0 "[ . 1 . 2]" 1
740 1 44 ASP HA 1 45 VAL H 2.000 . 2.200 2.226 2.124 2.298 0.098 5 0 "[ . 1 . 2]" 1
741 1 44 ASP HB3 1 45 VAL H 2.700 . 3.600 3.617 2.831 3.720 0.120 20 0 "[ . 1 . 2]" 1
742 1 44 ASP H 1 45 VAL QG 4.400 . 7.000 5.300 5.239 5.356 . 0 0 "[ . 1 . 2]" 1
743 1 44 ASP H 1 45 VAL H 3.300 . 4.800 4.269 4.196 4.351 . 0 0 "[ . 1 . 2]" 1
744 1 44 ASP HB2 1 45 VAL H 2.700 . 3.600 2.749 2.181 3.696 0.096 1 0 "[ . 1 . 2]" 1
745 1 45 VAL HA 1 46 ASN H 2.000 . 2.200 2.065 1.985 2.217 0.017 9 0 "[ . 1 . 2]" 1
746 1 45 VAL HB 1 46 ASN H 3.100 . 4.400 4.196 4.045 4.318 . 0 0 "[ . 1 . 2]" 1
747 1 45 VAL QG 1 47 ASN H 3.800 . 5.800 3.217 2.985 3.444 . 0 0 "[ . 1 . 2]" 1
748 1 45 VAL H 1 45 VAL QG 3.800 . 5.800 2.014 1.903 2.096 . 0 0 "[ . 1 . 2]" 1
749 1 45 VAL H 1 45 VAL HB 2.700 . 3.600 2.799 2.637 2.980 . 0 0 "[ . 1 . 2]" 1
750 1 45 VAL H 1 45 VAL HA 2.700 . 3.600 2.865 2.829 2.909 . 0 0 "[ . 1 . 2]" 1
751 1 45 VAL QG 1 46 ASN H 3.800 . 5.800 2.768 2.342 2.930 . 0 0 "[ . 1 . 2]" 1
752 1 46 ASN HA 1 47 ASN H 2.700 . 3.600 3.560 3.535 3.592 . 0 0 "[ . 1 . 2]" 1
753 1 46 ASN HB2 1 47 ASN H 2.700 . 3.600 3.646 3.600 3.693 0.093 3 0 "[ . 1 . 2]" 1
754 1 46 ASN H 1 46 ASN HB3 2.700 . 3.600 2.513 2.230 2.715 . 0 0 "[ . 1 . 2]" 1
755 1 46 ASN H 1 46 ASN HB2 2.700 . 3.600 2.673 2.464 2.964 . 0 0 "[ . 1 . 2]" 1
756 1 46 ASN H 1 46 ASN HA 2.700 . 3.600 2.908 2.879 2.944 . 0 0 "[ . 1 . 2]" 1
757 1 46 ASN H 1 47 ASN H 2.700 . 3.600 2.356 2.150 2.505 . 0 0 "[ . 1 . 2]" 1
758 1 46 ASN QD 1 47 ASN H 3.750 . 5.700 4.676 3.936 5.084 . 0 0 "[ . 1 . 2]" 1
759 1 46 ASN H 1 46 ASN QD 3.550 . 5.300 4.412 4.124 4.690 . 0 0 "[ . 1 . 2]" 1
760 1 47 ASN H 1 47 ASN HB2 2.700 . 3.600 2.571 2.483 2.683 . 0 0 "[ . 1 . 2]" 1
761 1 47 ASN HB3 1 48 ILE H 2.700 . 3.600 2.465 2.221 2.687 . 0 0 "[ . 1 . 2]" 1
762 1 47 ASN HB2 1 48 ILE H 2.700 . 3.600 3.646 3.605 3.677 0.077 2 0 "[ . 1 . 2]" 1
763 1 47 ASN HA 1 48 ILE H 2.100 . 2.400 2.309 2.201 2.404 0.004 3 0 "[ . 1 . 2]" 1
764 1 47 ASN H 1 47 ASN HB3 2.700 . 3.600 3.691 3.621 3.731 0.131 20 0 "[ . 1 . 2]" 1
765 1 47 ASN H 1 47 ASN HA 2.300 . 2.800 2.893 2.876 2.909 0.109 3 0 "[ . 1 . 2]" 1
766 1 47 ASN QD 1 48 ILE H 3.750 . 5.700 4.188 3.329 5.007 . 0 0 "[ . 1 . 2]" 1
767 1 48 ILE MG 1 49 TYR H 2.800 . 3.800 2.883 2.511 3.075 . 0 0 "[ . 1 . 2]" 1
768 1 48 ILE HB 1 49 TYR H 3.100 . 4.400 4.279 4.043 4.414 0.014 9 0 "[ . 1 . 2]" 1
769 1 48 ILE HA 1 49 TYR H 2.100 . 2.400 2.156 2.006 2.328 . 0 0 "[ . 1 . 2]" 1
770 1 48 ILE H 1 48 ILE HG13 3.300 . 4.800 4.290 3.360 4.590 . 0 0 "[ . 1 . 2]" 1
771 1 48 ILE H 1 48 ILE HB 2.700 . 3.600 2.592 2.502 2.844 . 0 0 "[ . 1 . 2]" 1
772 1 48 ILE H 1 48 ILE HG12 3.300 . 4.800 4.276 3.092 4.857 0.057 7 0 "[ . 1 . 2]" 1
773 1 48 ILE H 1 48 ILE MD 3.600 . 5.400 3.393 2.709 4.454 . 0 0 "[ . 1 . 2]" 1
774 1 48 ILE HG13 1 49 TYR H 3.300 . 4.800 4.110 2.127 4.966 0.166 10 0 "[ . 1 . 2]" 1
775 1 49 TYR H 1 49 TYR HB3 3.100 . 4.400 3.849 3.737 3.970 . 0 0 "[ . 1 . 2]" 1
776 1 49 TYR H 1 49 TYR HB2 3.100 . 4.400 2.889 2.619 3.189 . 0 0 "[ . 1 . 2]" 1
777 1 49 TYR H 1 49 TYR QD 3.350 . 4.900 3.321 2.669 3.754 . 0 0 "[ . 1 . 2]" 1
778 1 49 TYR QD 1 50 THR H 3.750 . 5.700 3.980 3.786 4.167 . 0 0 "[ . 1 . 2]" 1
779 1 49 TYR HB3 1 50 THR H 3.100 . 4.400 2.408 2.310 2.565 . 0 0 "[ . 1 . 2]" 1
780 1 49 TYR HB2 1 50 THR H 3.100 . 4.400 3.393 3.256 3.530 . 0 0 "[ . 1 . 2]" 1
781 1 49 TYR HA 1 50 THR H 2.300 . 2.800 2.458 2.405 2.515 . 0 0 "[ . 1 . 2]" 1
782 1 49 TYR H 1 49 TYR QE 4.350 . 6.900 5.065 4.646 5.422 . 0 0 "[ . 1 . 2]" 1
783 1 50 THR HB 1 51 ALA H 2.700 . 3.600 3.674 3.625 3.710 0.110 17 0 "[ . 1 . 2]" 1
784 1 50 THR HA 1 51 ALA H 2.000 . 2.200 2.198 2.112 2.219 0.019 11 0 "[ . 1 . 2]" 1
785 1 50 THR H 1 50 THR MG 2.800 . 3.800 2.562 2.477 2.652 . 0 0 "[ . 1 . 2]" 1
786 1 50 THR H 1 50 THR HB 2.700 . 3.600 3.585 3.501 3.618 0.018 16 0 "[ . 1 . 2]" 1
787 1 50 THR H 1 50 THR HA 2.700 . 3.600 2.825 2.797 2.840 . 0 0 "[ . 1 . 2]" 1
788 1 51 ALA MB 1 66 VAL H 3.800 . 5.800 4.000 3.732 4.222 . 0 0 "[ . 1 . 2]" 1
789 1 51 ALA HA 1 52 ASN H 2.100 . 2.400 2.299 2.217 2.401 0.001 3 0 "[ . 1 . 2]" 1
790 1 51 ALA H 1 51 ALA MB 2.800 . 3.800 2.601 2.551 2.661 . 0 0 "[ . 1 . 2]" 1
791 1 51 ALA H 1 51 ALA HA 2.700 . 3.600 2.932 2.910 2.961 . 0 0 "[ . 1 . 2]" 1
792 1 51 ALA MB 1 55 GLU H 3.800 . 5.800 4.056 3.775 4.320 . 0 0 "[ . 1 . 2]" 1
793 1 51 ALA H 1 52 ASN H 3.300 . 4.800 4.317 4.242 4.423 . 0 0 "[ . 1 . 2]" 1
794 1 51 ALA H 1 66 VAL QG 4.250 . 6.700 3.824 3.703 3.973 . 0 0 "[ . 1 . 2]" 1
795 1 51 ALA MB 1 52 ASN H 2.800 . 3.800 2.598 2.469 2.706 . 0 0 "[ . 1 . 2]" 1
796 1 52 ASN H 1 57 ILE MG 3.600 . 5.400 4.083 3.858 4.515 . 0 0 "[ . 1 . 2]" 1
797 1 52 ASN H 1 55 GLU HB2 3.100 . 4.400 3.221 2.967 3.570 . 0 0 "[ . 1 . 2]" 1
798 1 52 ASN H 1 55 GLU HB3 3.100 . 4.400 2.567 2.331 2.919 . 0 0 "[ . 1 . 2]" 1
799 1 52 ASN H 1 52 ASN HB2 2.300 . 2.800 2.371 2.296 2.495 . 0 0 "[ . 1 . 2]" 1
800 1 52 ASN H 1 52 ASN HB3 2.700 . 3.600 3.604 3.551 3.639 0.039 17 0 "[ . 1 . 2]" 1
801 1 52 ASN H 1 52 ASN HA 2.700 . 3.600 2.868 2.827 2.896 . 0 0 "[ . 1 . 2]" 1
802 1 52 ASN HB3 1 53 ARG H 3.100 . 4.400 2.634 2.354 2.861 . 0 0 "[ . 1 . 2]" 1
803 1 52 ASN H 1 55 GLU HG2 3.300 . 4.800 3.482 3.165 3.752 . 0 0 "[ . 1 . 2]" 1
804 1 52 ASN QB 1 55 GLU H 3.750 . 5.700 4.705 4.460 5.144 . 0 0 "[ . 1 . 2]" 1
805 1 52 ASN HA 1 53 ARG H 2.300 . 2.800 2.370 2.261 2.479 . 0 0 "[ . 1 . 2]" 1
806 1 52 ASN H 1 55 GLU HG3 3.300 . 4.800 4.183 3.901 4.448 . 0 0 "[ . 1 . 2]" 1
807 1 52 ASN HB2 1 52 ASN QD 3.150 . 4.500 2.227 2.075 3.293 . 0 0 "[ . 1 . 2]" 1
808 1 52 ASN H 1 53 ARG H 3.300 . 4.800 4.631 4.549 4.698 . 0 0 "[ . 1 . 2]" 1
809 1 52 ASN HB2 1 53 ARG H 3.100 . 4.400 3.896 3.702 4.048 . 0 0 "[ . 1 . 2]" 1
810 1 52 ASN HB3 1 52 ASN QD 3.150 . 4.500 2.844 2.281 3.251 . 0 0 "[ . 1 . 2]" 1
811 1 52 ASN H 1 52 ASN QD 3.150 . 4.500 3.587 2.734 4.088 . 0 0 "[ . 1 . 2]" 1
812 1 53 ARG HB3 1 54 ASN H 3.100 . 4.400 3.960 3.707 4.171 . 0 0 "[ . 1 . 2]" 1
813 1 53 ARG HA 1 55 GLU H 3.100 . 4.400 4.190 3.933 4.407 0.007 18 0 "[ . 1 . 2]" 1
814 1 53 ARG H 1 53 ARG HB3 2.300 . 2.800 2.894 2.808 2.967 0.167 7 0 "[ . 1 . 2]" 1
815 1 53 ARG H 1 53 ARG HB2 2.700 . 3.600 3.470 3.407 3.538 . 0 0 "[ . 1 . 2]" 1
816 1 53 ARG H 1 53 ARG HD3 3.100 . 4.400 4.135 4.041 4.312 . 0 0 "[ . 1 . 2]" 1
817 1 53 ARG H 1 68 GLU HA 3.300 . 4.800 4.681 4.493 4.877 0.077 4 0 "[ . 1 . 2]" 1
818 1 53 ARG HB2 1 54 ASN QD 3.750 . 5.700 3.710 3.006 4.147 . 0 0 "[ . 1 . 2]" 1
819 1 53 ARG H 1 53 ARG HA 2.700 . 3.600 2.765 2.734 2.800 . 0 0 "[ . 1 . 2]" 1
820 1 53 ARG QB 1 70 CYS H 3.550 . 5.300 3.838 3.508 4.351 . 0 0 "[ . 1 . 2]" 1
821 1 53 ARG QB 1 69 ALA H 3.550 . 5.300 4.597 4.460 4.766 . 0 0 "[ . 1 . 2]" 1
822 1 53 ARG HB3 1 54 ASN QD 3.750 . 5.700 5.070 4.516 5.220 . 0 0 "[ . 1 . 2]" 1
823 1 53 ARG H 1 53 ARG HD2 3.100 . 4.400 4.398 4.265 4.463 0.063 12 0 "[ . 1 . 2]" 1
824 1 53 ARG H 1 66 VAL QG 4.450 . 7.100 4.832 4.553 4.996 . 0 0 "[ . 1 . 2]" 1
825 1 53 ARG HB2 1 54 ASN H 3.100 . 4.400 3.612 3.432 3.775 . 0 0 "[ . 1 . 2]" 1
826 1 53 ARG HA 1 54 ASN H 2.000 . 2.200 2.029 1.957 2.109 . 0 0 "[ . 1 . 2]" 1
827 1 54 ASN H 1 66 VAL QG 3.850 . 5.900 3.209 3.012 3.329 . 0 0 "[ . 1 . 2]" 1
828 1 54 ASN H 1 54 ASN HB2 3.100 . 4.400 3.716 3.579 3.848 . 0 0 "[ . 1 . 2]" 1
829 1 54 ASN H 1 54 ASN HA 2.300 . 2.800 2.196 2.162 2.216 . 0 0 "[ . 1 . 2]" 1
830 1 54 ASN H 1 67 ASN HA 2.700 . 3.600 3.364 3.087 3.605 0.005 3 0 "[ . 1 . 2]" 1
831 1 54 ASN HB2 1 54 ASN QD 2.750 . 3.700 2.497 2.074 3.339 . 0 0 "[ . 1 . 2]" 1
832 1 54 ASN H 1 54 ASN HB3 3.100 . 4.400 4.060 3.977 4.132 . 0 0 "[ . 1 . 2]" 1
833 1 54 ASN H 1 66 VAL HB 3.100 . 4.400 3.729 3.533 3.948 . 0 0 "[ . 1 . 2]" 1
834 1 54 ASN HB3 1 54 ASN QD 2.750 . 3.700 2.865 2.278 3.247 . 0 0 "[ . 1 . 2]" 1
835 1 54 ASN QD 1 68 GLU HG3 3.750 . 5.700 3.844 3.264 4.660 . 0 0 "[ . 1 . 2]" 1
836 1 54 ASN QD 1 68 GLU HG2 3.750 . 5.700 3.484 2.522 4.571 . 0 0 "[ . 1 . 2]" 1
837 1 54 ASN QD 1 68 GLU HB2 3.150 . 4.500 3.338 2.769 3.910 . 0 0 "[ . 1 . 2]" 1
838 1 54 ASN HB3 1 55 GLU H 3.100 . 4.400 4.208 4.081 4.353 . 0 0 "[ . 1 . 2]" 1
839 1 54 ASN HB2 1 55 GLU H 3.100 . 4.400 4.389 4.320 4.432 0.032 13 0 "[ . 1 . 2]" 1
840 1 54 ASN H 1 68 GLU H 3.300 . 4.800 3.944 3.641 4.202 . 0 0 "[ . 1 . 2]" 1
841 1 54 ASN H 1 68 GLU QB 3.750 . 5.700 4.065 3.686 4.458 . 0 0 "[ . 1 . 2]" 1
842 1 54 ASN H 1 68 GLU HA 3.100 . 4.400 3.014 2.741 3.213 . 0 0 "[ . 1 . 2]" 1
843 1 54 ASN H 1 65 PHE QE 3.750 . 5.700 4.743 4.405 5.080 . 0 0 "[ . 1 . 2]" 1
844 1 54 ASN QD 1 68 GLU H 3.550 . 5.300 3.159 1.948 3.865 . 0 0 "[ . 1 . 2]" 1
845 1 54 ASN HA 1 55 GLU H 2.100 . 2.400 2.377 2.213 2.488 0.088 8 0 "[ . 1 . 2]" 1
846 1 54 ASN H 1 55 GLU H 2.700 . 3.600 2.648 2.461 2.874 . 0 0 "[ . 1 . 2]" 1
847 1 55 GLU H 1 66 VAL HA 3.300 . 4.800 4.718 4.642 4.799 . 0 0 "[ . 1 . 2]" 1
848 1 55 GLU H 1 65 PHE QE 3.750 . 5.700 3.650 3.333 4.173 . 0 0 "[ . 1 . 2]" 1
849 1 55 GLU H 1 55 GLU HB3 2.700 . 3.600 2.734 2.646 2.809 . 0 0 "[ . 1 . 2]" 1
850 1 55 GLU H 1 55 GLU HG3 3.100 . 4.400 4.545 4.514 4.574 0.174 14 0 "[ . 1 . 2]" 1
851 1 55 GLU H 1 65 PHE HA 3.100 . 4.400 4.419 4.360 4.488 0.088 8 0 "[ . 1 . 2]" 1
852 1 55 GLU HB2 1 56 GLU H 3.100 . 4.400 4.111 3.968 4.265 . 0 0 "[ . 1 . 2]" 1
853 1 55 GLU H 1 66 VAL H 2.700 . 3.600 2.971 2.827 3.092 . 0 0 "[ . 1 . 2]" 1
854 1 55 GLU H 1 65 PHE QD 3.750 . 5.700 3.947 3.633 4.382 . 0 0 "[ . 1 . 2]" 1
855 1 55 GLU HA 1 56 GLU H 2.000 . 2.200 2.174 2.092 2.245 0.045 18 0 "[ . 1 . 2]" 1
856 1 55 GLU H 1 55 GLU HG2 3.100 . 4.400 4.311 4.144 4.406 0.006 4 0 "[ . 1 . 2]" 1
857 1 55 GLU HB3 1 56 GLU H 3.100 . 4.400 4.184 4.003 4.352 . 0 0 "[ . 1 . 2]" 1
858 1 55 GLU H 1 66 VAL MG2 3.600 . 5.400 4.218 4.062 4.339 . 0 0 "[ . 1 . 2]" 1
859 1 55 GLU H 1 66 VAL MG1 3.600 . 5.400 3.930 3.821 4.098 . 0 0 "[ . 1 . 2]" 1
860 1 55 GLU H 1 55 GLU HB2 2.700 . 3.600 3.328 3.152 3.529 . 0 0 "[ . 1 . 2]" 1
861 1 55 GLU H 1 66 VAL HB 2.700 . 3.600 2.884 2.731 3.046 . 0 0 "[ . 1 . 2]" 1
862 1 55 GLU H 1 55 GLU HA 2.300 . 2.800 2.854 2.835 2.882 0.082 1 0 "[ . 1 . 2]" 1
863 1 55 GLU H 1 56 GLU H 3.100 . 4.400 4.145 3.988 4.302 . 0 0 "[ . 1 . 2]" 1
864 1 56 GLU H 1 56 GLU QB 3.150 . 4.500 2.377 2.163 2.650 . 0 0 "[ . 1 . 2]" 1
865 1 56 GLU HA 1 66 VAL H 2.700 . 3.600 2.866 2.672 3.085 . 0 0 "[ . 1 . 2]" 1
866 1 56 GLU H 1 56 GLU QG 3.150 . 4.500 3.726 2.871 4.020 . 0 0 "[ . 1 . 2]" 1
867 1 56 GLU QB 1 57 ILE H 3.550 . 5.300 3.645 2.944 3.873 . 0 0 "[ . 1 . 2]" 1
868 1 56 GLU QG 1 57 ILE H 3.550 . 5.300 3.547 2.790 4.447 . 0 0 "[ . 1 . 2]" 1
869 1 56 GLU HA 1 57 ILE H 2.000 . 2.200 2.093 2.028 2.183 . 0 0 "[ . 1 . 2]" 1
870 1 56 GLU QB 1 64 VAL H 3.550 . 5.300 4.330 3.240 4.794 . 0 0 "[ . 1 . 2]" 1
871 1 56 GLU H 1 56 GLU HA 2.300 . 2.800 2.880 2.858 2.903 0.103 18 0 "[ . 1 . 2]" 1
872 1 56 GLU QG 1 64 VAL H 3.550 . 5.300 3.372 2.647 4.830 . 0 0 "[ . 1 . 2]" 1
873 1 56 GLU HA 1 64 VAL H 3.100 . 4.400 4.099 3.770 4.419 0.019 18 0 "[ . 1 . 2]" 1
874 1 56 GLU HA 1 65 PHE H 3.300 . 4.800 4.309 4.087 4.508 . 0 0 "[ . 1 . 2]" 1
875 1 57 ILE H 1 57 ILE HB 2.700 . 3.600 3.636 3.612 3.669 0.069 18 0 "[ . 1 . 2]" 1
876 1 57 ILE H 1 66 VAL MG2 3.800 . 5.800 3.545 3.281 3.825 . 0 0 "[ . 1 . 2]" 1
877 1 57 ILE H 1 57 ILE HG12 2.300 . 2.800 1.973 1.874 2.098 . 0 0 "[ . 1 . 2]" 1
878 1 57 ILE QG 1 58 THR H 3.150 . 4.500 3.047 2.929 3.155 . 0 0 "[ . 1 . 2]" 1
879 1 57 ILE H 1 57 ILE HG13 2.700 . 3.600 3.009 2.926 3.108 . 0 0 "[ . 1 . 2]" 1
880 1 57 ILE H 1 57 ILE MD 3.800 . 5.800 3.653 3.572 3.739 . 0 0 "[ . 1 . 2]" 1
881 1 57 ILE HA 1 58 THR H 2.300 . 2.800 2.644 2.546 2.708 . 0 0 "[ . 1 . 2]" 1
882 1 57 ILE H 1 57 ILE HA 2.300 . 2.800 2.886 2.872 2.897 0.097 1 0 "[ . 1 . 2]" 1
883 1 57 ILE H 1 65 PHE HA 2.700 . 3.600 3.459 3.356 3.600 . 0 0 "[ . 1 . 2]" 1
884 1 57 ILE HG13 1 64 VAL H 2.700 . 3.600 3.291 3.123 3.551 . 0 0 "[ . 1 . 2]" 1
885 1 57 ILE MD 1 58 THR H 3.200 . 4.600 3.790 3.773 3.818 . 0 0 "[ . 1 . 2]" 1
886 1 57 ILE H 1 64 VAL MG1 3.600 . 5.400 3.993 3.755 4.216 . 0 0 "[ . 1 . 2]" 1
887 1 57 ILE HB 1 58 THR H 2.700 . 3.600 1.988 1.894 2.187 . 0 0 "[ . 1 . 2]" 1
888 1 57 ILE H 1 64 VAL HB 2.700 . 3.600 3.443 3.212 3.606 0.006 5 0 "[ . 1 . 2]" 1
889 1 57 ILE H 1 64 VAL H 2.700 . 3.600 3.226 3.000 3.428 . 0 0 "[ . 1 . 2]" 1
890 1 57 ILE HG12 1 64 VAL H 2.700 . 3.600 3.652 3.623 3.687 0.087 18 0 "[ . 1 . 2]" 1
891 1 57 ILE H 1 66 VAL H 3.100 . 4.400 3.901 3.696 4.281 . 0 0 "[ . 1 . 2]" 1
892 1 58 THR MG 1 60 GLU H 3.600 . 5.400 3.989 3.667 4.221 . 0 0 "[ . 1 . 2]" 1
893 1 58 THR H 1 58 THR MG 3.200 . 4.600 3.911 3.890 3.925 . 0 0 "[ . 1 . 2]" 1
894 1 58 THR H 1 58 THR HB 2.700 . 3.600 2.904 2.828 2.977 . 0 0 "[ . 1 . 2]" 1
895 1 58 THR H 1 58 THR HA 2.300 . 2.800 2.874 2.859 2.888 0.088 14 0 "[ . 1 . 2]" 1
896 1 58 THR MG 1 64 VAL H 3.600 . 5.400 4.154 3.942 4.307 . 0 0 "[ . 1 . 2]" 1
897 1 58 THR MG 1 62 TYR H 3.600 . 5.400 2.858 2.685 3.192 . 0 0 "[ . 1 . 2]" 1
898 1 58 THR HA 1 62 TYR H 3.300 . 4.800 4.439 4.143 4.663 . 0 0 "[ . 1 . 2]" 1
899 1 58 THR MG 1 59 ILE H 2.800 . 3.800 2.512 2.352 2.771 . 0 0 "[ . 1 . 2]" 1
900 1 58 THR HB 1 59 ILE H 2.700 . 3.600 3.700 3.630 3.745 0.145 11 0 "[ . 1 . 2]" 1
901 1 58 THR HA 1 59 ILE H 2.000 . 2.200 2.098 1.991 2.183 . 0 0 "[ . 1 . 2]" 1
902 1 58 THR H 1 64 VAL H 3.300 . 4.800 4.667 4.599 4.814 0.014 18 0 "[ . 1 . 2]" 1
903 1 58 THR HA 1 64 VAL H 2.700 . 3.600 3.026 2.831 3.183 . 0 0 "[ . 1 . 2]" 1
904 1 58 THR MG 1 61 GLU H 3.600 . 5.400 2.521 2.315 2.760 . 0 0 "[ . 1 . 2]" 1
905 1 58 THR H 1 59 ILE H 3.100 . 4.400 4.103 3.902 4.189 . 0 0 "[ . 1 . 2]" 1
906 1 59 ILE H 1 59 ILE MD 3.600 . 5.400 4.041 3.934 4.122 . 0 0 "[ . 1 . 2]" 1
907 1 59 ILE HG12 1 60 GLU H 3.300 . 4.800 4.683 4.573 4.785 . 0 0 "[ . 1 . 2]" 1
908 1 59 ILE MG 1 62 TYR H 3.600 . 5.400 4.253 4.085 4.366 . 0 0 "[ . 1 . 2]" 1
909 1 59 ILE H 1 59 ILE HG12 3.100 . 4.400 4.088 3.964 4.164 . 0 0 "[ . 1 . 2]" 1
910 1 59 ILE H 1 59 ILE MG 3.200 . 4.600 3.807 3.756 3.857 . 0 0 "[ . 1 . 2]" 1
911 1 59 ILE H 1 64 VAL QG 4.250 . 6.700 3.208 2.985 3.323 . 0 0 "[ . 1 . 2]" 1
912 1 59 ILE H 1 59 ILE HB 2.300 . 2.800 2.591 2.474 2.694 . 0 0 "[ . 1 . 2]" 1
913 1 59 ILE H 1 59 ILE HA 2.700 . 3.600 2.927 2.917 2.936 . 0 0 "[ . 1 . 2]" 1
914 1 59 ILE H 1 63 LYS HA 2.700 . 3.600 3.155 2.796 3.474 . 0 0 "[ . 1 . 2]" 1
915 1 59 ILE H 1 62 TYR H 2.700 . 3.600 2.942 2.695 3.199 . 0 0 "[ . 1 . 2]" 1
916 1 59 ILE H 1 62 TYR HB3 3.300 . 4.800 4.760 4.629 4.837 0.037 4 0 "[ . 1 . 2]" 1
917 1 59 ILE HB 1 60 GLU H 3.300 . 4.800 4.410 4.335 4.481 . 0 0 "[ . 1 . 2]" 1
918 1 59 ILE HA 1 60 GLU H 2.100 . 2.400 2.275 2.224 2.324 . 0 0 "[ . 1 . 2]" 1
919 1 59 ILE MG 1 60 GLU H 3.600 . 5.400 3.247 3.064 3.413 . 0 0 "[ . 1 . 2]" 1
920 1 59 ILE H 1 64 VAL HB 3.300 . 4.800 4.676 4.381 4.801 0.001 7 0 "[ . 1 . 2]" 1
921 1 59 ILE H 1 62 TYR HB2 3.300 . 4.800 3.363 3.274 3.468 . 0 0 "[ . 1 . 2]" 1
922 1 59 ILE H 1 62 TYR QD 4.350 . 6.900 4.588 4.465 4.700 . 0 0 "[ . 1 . 2]" 1
923 1 60 GLU H 1 60 GLU HA 2.100 . 2.400 2.259 2.224 2.309 . 0 0 "[ . 1 . 2]" 1
924 1 60 GLU HB2 1 61 GLU H 3.100 . 4.400 4.226 4.098 4.400 . 0 0 "[ . 1 . 2]" 1
925 1 60 GLU H 1 60 GLU HB3 3.100 . 4.400 4.037 3.961 4.095 . 0 0 "[ . 1 . 2]" 1
926 1 60 GLU H 1 61 GLU H 3.100 . 4.400 2.685 2.489 2.917 . 0 0 "[ . 1 . 2]" 1
927 1 60 GLU HB3 1 61 GLU H 3.100 . 4.400 4.344 4.273 4.435 0.035 4 0 "[ . 1 . 2]" 1
928 1 60 GLU QG 1 61 GLU H 3.550 . 5.300 4.488 4.168 4.760 . 0 0 "[ . 1 . 2]" 1
929 1 60 GLU HA 1 61 GLU H 2.300 . 2.800 2.627 2.535 2.744 . 0 0 "[ . 1 . 2]" 1
930 1 60 GLU HA 1 62 TYR H 3.100 . 4.400 4.273 4.159 4.400 0.000 5 0 "[ . 1 . 2]" 1
931 1 60 GLU H 1 60 GLU HB2 3.100 . 4.400 3.392 3.245 3.555 . 0 0 "[ . 1 . 2]" 1
932 1 60 GLU H 1 60 GLU QG 3.550 . 5.300 3.023 2.241 3.634 . 0 0 "[ . 1 . 2]" 1
933 1 61 GLU HA 1 62 TYR H 2.700 . 3.600 3.086 2.874 3.229 . 0 0 "[ . 1 . 2]" 1
934 1 61 GLU QB 1 62 TYR H 3.550 . 5.300 3.669 3.494 3.827 . 0 0 "[ . 1 . 2]" 1
935 1 61 GLU H 1 61 GLU HG2 3.100 . 4.400 3.069 2.962 3.308 . 0 0 "[ . 1 . 2]" 1
936 1 61 GLU H 1 61 GLU QB 2.750 . 3.700 3.347 3.280 3.402 . 0 0 "[ . 1 . 2]" 1
937 1 61 GLU H 1 61 GLU HG3 3.100 . 4.400 4.446 4.419 4.502 0.102 1 0 "[ . 1 . 2]" 1
938 1 61 GLU H 1 61 GLU HA 2.300 . 2.800 2.191 2.153 2.218 . 0 0 "[ . 1 . 2]" 1
939 1 61 GLU H 1 62 TYR H 2.300 . 2.800 2.703 2.525 2.828 0.028 1 0 "[ . 1 . 2]" 1
940 1 62 TYR HB2 1 63 LYS H 3.100 . 4.400 4.241 4.112 4.380 . 0 0 "[ . 1 . 2]" 1
941 1 62 TYR HB3 1 63 LYS H 3.100 . 4.400 3.707 3.483 3.899 . 0 0 "[ . 1 . 2]" 1
942 1 62 TYR QE 1 79 ASP H 4.150 . 6.500 4.291 3.708 4.933 . 0 0 "[ . 1 . 2]" 1
943 1 62 TYR H 1 62 TYR HB3 2.700 . 3.600 3.638 3.619 3.666 0.066 5 0 "[ . 1 . 2]" 1
944 1 62 TYR H 1 62 TYR HB2 2.700 . 3.600 2.588 2.508 2.670 . 0 0 "[ . 1 . 2]" 1
945 1 62 TYR HA 1 63 LYS H 2.000 . 2.200 2.243 2.188 2.274 0.074 4 0 "[ . 1 . 2]" 1
946 1 62 TYR QD 1 63 LYS H 4.350 . 6.900 4.539 4.322 4.761 . 0 0 "[ . 1 . 2]" 1
947 1 63 LYS H 1 63 LYS HB2 2.700 . 3.600 3.608 2.298 3.720 0.120 20 0 "[ . 1 . 2]" 1
948 1 63 LYS H 1 63 LYS HB3 2.700 . 3.600 2.660 2.473 2.892 . 0 0 "[ . 1 . 2]" 1
949 1 63 LYS H 1 63 LYS HG3 3.100 . 4.400 3.816 1.938 4.418 0.018 14 0 "[ . 1 . 2]" 1
950 1 63 LYS H 1 63 LYS HG2 3.100 . 4.400 3.496 2.311 4.433 0.033 14 0 "[ . 1 . 2]" 1
951 1 63 LYS HG2 1 64 VAL H 3.100 . 4.400 3.789 3.295 4.558 0.158 4 0 "[ . 1 . 2]" 1
952 1 63 LYS HG3 1 64 VAL H 3.100 . 4.400 4.367 2.826 4.582 0.182 18 0 "[ . 1 . 2]" 1
953 1 63 LYS H 1 64 VAL H 3.100 . 4.400 4.467 4.428 4.494 0.094 8 0 "[ . 1 . 2]" 1
954 1 63 LYS HB2 1 64 VAL H 3.100 . 4.400 2.713 2.232 4.285 . 0 0 "[ . 1 . 2]" 1
955 1 63 LYS HB3 1 64 VAL H 3.100 . 4.400 3.886 3.399 4.127 . 0 0 "[ . 1 . 2]" 1
956 1 63 LYS HA 1 64 VAL H 2.000 . 2.200 2.143 2.062 2.205 0.005 4 0 "[ . 1 . 2]" 1
957 1 64 VAL HA 1 73 TYR H 3.100 . 4.400 4.111 3.901 4.333 . 0 0 "[ . 1 . 2]" 1
958 1 64 VAL HB 1 65 PHE H 3.100 . 4.400 4.258 4.162 4.341 . 0 0 "[ . 1 . 2]" 1
959 1 64 VAL MG1 1 73 TYR H 2.800 . 3.800 2.543 2.368 2.750 . 0 0 "[ . 1 . 2]" 1
960 1 64 VAL H 1 64 VAL QG 3.450 . 5.100 2.844 2.687 2.988 . 0 0 "[ . 1 . 2]" 1
961 1 64 VAL H 1 64 VAL HA 2.700 . 3.600 2.944 2.935 2.955 . 0 0 "[ . 1 . 2]" 1
962 1 64 VAL QG 1 65 PHE H 3.450 . 5.100 2.806 2.630 2.957 . 0 0 "[ . 1 . 2]" 1
963 1 64 VAL HA 1 65 PHE H 2.000 . 2.200 2.169 2.087 2.206 0.006 15 0 "[ . 1 . 2]" 1
964 1 65 PHE HB3 1 66 VAL H 3.100 . 4.400 4.320 4.224 4.373 . 0 0 "[ . 1 . 2]" 1
965 1 65 PHE HA 1 66 VAL H 2.000 . 2.200 2.086 2.005 2.147 . 0 0 "[ . 1 . 2]" 1
966 1 65 PHE QE 1 68 GLU H 3.750 . 5.700 4.651 4.477 4.941 . 0 0 "[ . 1 . 2]" 1
967 1 65 PHE H 1 74 PRO HD3 3.300 . 4.800 4.290 3.749 4.551 . 0 0 "[ . 1 . 2]" 1
968 1 65 PHE H 1 74 PRO HD2 3.100 . 4.400 4.339 3.984 4.481 0.081 10 0 "[ . 1 . 2]" 1
969 1 65 PHE H 1 73 TYR QB 3.750 . 5.700 3.534 3.262 3.671 . 0 0 "[ . 1 . 2]" 1
970 1 65 PHE H 1 66 VAL QG 4.450 . 7.100 4.496 4.400 4.663 . 0 0 "[ . 1 . 2]" 1
971 1 65 PHE H 1 72 PRO HA 3.300 . 4.800 4.596 4.391 4.805 0.005 11 0 "[ . 1 . 2]" 1
972 1 65 PHE QD 1 67 ASN H 4.150 . 6.500 4.242 3.951 4.395 . 0 0 "[ . 1 . 2]" 1
973 1 65 PHE HB2 1 66 VAL H 3.100 . 4.400 4.223 4.095 4.317 . 0 0 "[ . 1 . 2]" 1
974 1 65 PHE H 1 65 PHE QE 4.150 . 6.500 6.134 6.103 6.165 . 0 0 "[ . 1 . 2]" 1
975 1 65 PHE H 1 65 PHE HB2 2.700 . 3.600 2.928 2.808 3.047 . 0 0 "[ . 1 . 2]" 1
976 1 65 PHE H 1 65 PHE HB3 2.700 . 3.600 2.379 2.316 2.433 . 0 0 "[ . 1 . 2]" 1
977 1 65 PHE H 1 65 PHE HA 2.700 . 3.600 2.916 2.883 2.946 . 0 0 "[ . 1 . 2]" 1
978 1 65 PHE H 1 73 TYR H 2.700 . 3.600 2.993 2.832 3.105 . 0 0 "[ . 1 . 2]" 1
979 1 66 VAL QG 1 70 CYS H 4.250 . 6.700 3.273 3.122 4.143 . 0 0 "[ . 1 . 2]" 1
980 1 66 VAL QG 1 73 TYR H 4.250 . 6.700 3.714 3.435 3.859 . 0 0 "[ . 1 . 2]" 1
981 1 66 VAL QG 1 71 HIS H 4.450 . 7.100 2.458 1.983 2.895 . 0 0 "[ . 1 . 2]" 1
982 1 66 VAL MG2 1 67 ASN H 3.600 . 5.400 4.032 3.913 4.144 . 0 0 "[ . 1 . 2]" 1
983 1 66 VAL H 1 66 VAL MG2 3.200 . 4.600 2.422 2.318 2.530 . 0 0 "[ . 1 . 2]" 1
984 1 66 VAL H 1 66 VAL MG1 3.200 . 4.600 3.788 3.762 3.815 . 0 0 "[ . 1 . 2]" 1
985 1 66 VAL H 1 66 VAL HB 2.300 . 2.800 2.515 2.475 2.563 . 0 0 "[ . 1 . 2]" 1
986 1 66 VAL H 1 66 VAL HA 2.700 . 3.600 2.916 2.901 2.932 . 0 0 "[ . 1 . 2]" 1
987 1 66 VAL HA 1 67 ASN H 2.000 . 2.200 2.082 2.034 2.138 . 0 0 "[ . 1 . 2]" 1
988 1 66 VAL MG1 1 67 ASN H 3.600 . 5.400 2.847 2.697 2.982 . 0 0 "[ . 1 . 2]" 1
989 1 66 VAL QG 1 69 ALA H 4.450 . 7.100 4.635 4.587 4.685 . 0 0 "[ . 1 . 2]" 1
990 1 66 VAL HB 1 67 ASN H 3.100 . 4.400 4.223 4.134 4.293 . 0 0 "[ . 1 . 2]" 1
991 1 66 VAL HA 1 73 TYR H 2.700 . 3.600 3.395 3.258 3.598 . 0 0 "[ . 1 . 2]" 1
992 1 67 ASN HB2 1 69 ALA H 3.300 . 4.800 4.487 4.264 4.676 . 0 0 "[ . 1 . 2]" 1
993 1 67 ASN H 1 67 ASN HB3 2.700 . 3.600 2.395 2.222 2.689 . 0 0 "[ . 1 . 2]" 1
994 1 67 ASN H 1 67 ASN HA 2.300 . 2.800 2.842 2.822 2.864 0.064 18 0 "[ . 1 . 2]" 1
995 1 67 ASN H 1 72 PRO HA 3.100 . 4.400 3.592 3.246 4.121 . 0 0 "[ . 1 . 2]" 1
996 1 67 ASN QD 1 71 HIS HB3 3.750 . 5.700 4.174 3.487 4.981 . 0 0 "[ . 1 . 2]" 1
997 1 67 ASN QD 1 69 ALA MB 4.250 . 6.700 3.167 2.190 4.805 . 0 0 "[ . 1 . 2]" 1
998 1 67 ASN HB3 1 68 GLU H 2.700 . 3.600 3.394 2.811 3.642 0.042 10 0 "[ . 1 . 2]" 1
999 1 67 ASN HB2 1 68 GLU H 2.700 . 3.600 3.687 3.651 3.738 0.138 6 0 "[ . 1 . 2]" 1
1000 1 67 ASN HA 1 68 GLU H 2.300 . 2.800 2.464 2.317 2.733 . 0 0 "[ . 1 . 2]" 1
1001 1 67 ASN HB3 1 69 ALA H 3.300 . 4.800 3.115 2.782 3.439 . 0 0 "[ . 1 . 2]" 1
1002 1 67 ASN HA 1 69 ALA H 3.300 . 4.800 4.301 4.051 4.507 . 0 0 "[ . 1 . 2]" 1
1003 1 67 ASN H 1 67 ASN QD 3.750 . 5.700 4.379 4.178 4.587 . 0 0 "[ . 1 . 2]" 1
1004 1 67 ASN H 1 73 TYR H 3.300 . 4.800 4.550 4.310 4.843 0.043 13 0 "[ . 1 . 2]" 1
1005 1 67 ASN H 1 67 ASN HB2 3.100 . 4.400 2.532 2.358 2.668 . 0 0 "[ . 1 . 2]" 1
1006 1 67 ASN H 1 68 GLU H 3.100 . 4.400 4.455 4.418 4.487 0.087 10 0 "[ . 1 . 2]" 1
1007 1 68 GLU H 1 68 GLU HG2 2.700 . 3.600 2.534 1.829 3.648 0.048 13 0 "[ . 1 . 2]" 1
1008 1 68 GLU H 1 68 GLU QB 2.750 . 3.700 2.659 2.392 2.872 . 0 0 "[ . 1 . 2]" 1
1009 1 68 GLU HG3 1 69 ALA H 3.100 . 4.400 3.712 2.608 4.504 0.104 14 0 "[ . 1 . 2]" 1
1010 1 68 GLU HG2 1 69 ALA H 3.100 . 4.400 3.191 2.758 3.964 . 0 0 "[ . 1 . 2]" 1
1011 1 68 GLU HA 1 70 CYS H 3.300 . 4.800 3.320 2.954 4.786 . 0 0 "[ . 1 . 2]" 1
1012 1 68 GLU QB 1 69 ALA H 3.150 . 4.500 3.735 3.573 3.924 . 0 0 "[ . 1 . 2]" 1
1013 1 68 GLU HA 1 69 ALA H 3.100 . 4.400 3.337 3.224 3.438 . 0 0 "[ . 1 . 2]" 1
1014 1 68 GLU H 1 69 ALA H 2.300 . 2.800 2.688 2.490 2.846 0.046 18 0 "[ . 1 . 2]" 1
1015 1 69 ALA MB 1 70 CYS H 3.200 . 4.600 3.395 3.171 3.500 . 0 0 "[ . 1 . 2]" 1
1016 1 69 ALA HA 1 70 CYS H 3.100 . 4.400 3.031 2.000 3.233 . 0 0 "[ . 1 . 2]" 1
1017 1 69 ALA H 1 69 ALA MB 2.600 . 3.400 2.350 2.267 2.404 . 0 0 "[ . 1 . 2]" 1
1018 1 69 ALA H 1 69 ALA HA 2.300 . 2.800 2.880 2.861 2.893 0.093 18 0 "[ . 1 . 2]" 1
1019 1 70 CYS H 1 70 CYS HA 2.300 . 2.800 2.273 2.203 2.663 . 0 0 "[ . 1 . 2]" 1
1020 1 70 CYS HA 1 71 HIS H 2.100 . 2.400 2.460 2.268 2.607 0.207 14 0 "[ . 1 . 2]" 1
1021 1 70 CYS HB3 1 86 ASP H 3.100 . 4.400 3.350 3.007 3.569 . 0 0 "[ . 1 . 2]" 1
1022 1 70 CYS H 1 70 CYS HB2 3.100 . 4.400 3.481 2.512 3.599 . 0 0 "[ . 1 . 2]" 1
1023 1 70 CYS H 1 70 CYS HB3 3.100 . 4.400 3.980 3.390 4.060 . 0 0 "[ . 1 . 2]" 1
1024 1 70 CYS HB2 1 86 ASP H 3.100 . 4.400 4.357 4.178 4.435 0.035 8 0 "[ . 1 . 2]" 1
1025 1 70 CYS HB2 1 87 PHE H 3.100 . 4.400 3.472 3.163 3.874 . 0 0 "[ . 1 . 2]" 1
1026 1 70 CYS HB3 1 87 PHE H 3.300 . 4.800 3.960 3.699 4.204 . 0 0 "[ . 1 . 2]" 1
1027 1 71 HIS H 1 71 HIS HB3 2.700 . 3.600 3.002 2.813 3.279 . 0 0 "[ . 1 . 2]" 1
1028 1 71 HIS H 1 71 HIS HB2 2.700 . 3.600 3.113 2.902 3.357 . 0 0 "[ . 1 . 2]" 1
1029 1 71 HIS H 1 71 HIS HA 2.700 . 3.600 2.892 2.821 2.950 . 0 0 "[ . 1 . 2]" 1
1030 1 71 HIS HA 1 85 GLY H 3.100 . 4.400 3.760 3.093 4.418 0.018 18 0 "[ . 1 . 2]" 1
1031 1 72 PRO QD 1 73 TYR H 3.750 . 5.700 4.923 4.862 4.959 . 0 0 "[ . 1 . 2]" 1
1032 1 72 PRO QD 1 85 GLY H 3.550 . 5.300 2.934 2.339 3.407 . 0 0 "[ . 1 . 2]" 1
1033 1 72 PRO HB3 1 73 TYR H 3.100 . 4.400 3.885 3.662 4.018 . 0 0 "[ . 1 . 2]" 1
1034 1 72 PRO HB2 1 73 TYR H 3.100 . 4.400 3.152 2.836 3.316 . 0 0 "[ . 1 . 2]" 1
1035 1 72 PRO QD 1 86 ASP H 3.750 . 5.700 4.584 4.486 4.732 . 0 0 "[ . 1 . 2]" 1
1036 1 72 PRO HA 1 73 TYR H 2.300 . 2.800 2.144 2.106 2.187 . 0 0 "[ . 1 . 2]" 1
1037 1 72 PRO HG2 1 73 TYR H 3.300 . 4.800 4.628 4.434 4.772 . 0 0 "[ . 1 . 2]" 1
1038 1 72 PRO HG2 1 85 GLY H 3.300 . 4.800 4.609 4.174 4.823 0.023 8 0 "[ . 1 . 2]" 1
1039 1 73 TYR QB 1 75 VAL H 3.750 . 5.700 4.576 4.258 4.749 . 0 0 "[ . 1 . 2]" 1
1040 1 73 TYR H 1 73 TYR HB3 3.100 . 4.400 3.762 3.703 3.802 . 0 0 "[ . 1 . 2]" 1
1041 1 73 TYR H 1 73 TYR HB2 3.100 . 4.400 2.681 2.620 2.726 . 0 0 "[ . 1 . 2]" 1
1042 1 73 TYR H 1 73 TYR HA 2.700 . 3.600 2.885 2.860 2.905 . 0 0 "[ . 1 . 2]" 1
1043 1 73 TYR H 1 75 VAL MG2 3.800 . 5.800 4.788 4.770 4.811 . 0 0 "[ . 1 . 2]" 1
1044 1 74 PRO QG 1 76 ILE H 3.750 . 5.700 4.332 3.909 5.153 . 0 0 "[ . 1 . 2]" 1
1045 1 74 PRO HA 1 76 ILE H 3.300 . 4.800 4.342 4.056 4.614 . 0 0 "[ . 1 . 2]" 1
1046 1 74 PRO QG 1 75 VAL H 3.750 . 5.700 4.152 3.986 4.339 . 0 0 "[ . 1 . 2]" 1
1047 1 74 PRO QD 1 75 VAL H 3.750 . 5.700 4.899 4.825 4.977 . 0 0 "[ . 1 . 2]" 1
1048 1 74 PRO QB 1 76 ILE H 3.150 . 4.500 2.895 2.616 3.255 . 0 0 "[ . 1 . 2]" 1
1049 1 74 PRO QB 1 75 VAL H 3.150 . 4.500 2.605 2.413 2.805 . 0 0 "[ . 1 . 2]" 1
1050 1 74 PRO HA 1 75 VAL H 2.100 . 2.400 2.335 2.222 2.414 0.014 8 0 "[ . 1 . 2]" 1
1051 1 75 VAL QG 1 83 LEU H 3.850 . 5.900 2.566 2.305 2.798 . 0 0 "[ . 1 . 2]" 1
1052 1 75 VAL HA 1 83 LEU H 3.100 . 4.400 3.454 3.222 3.763 . 0 0 "[ . 1 . 2]" 1
1053 1 75 VAL HB 1 76 ILE H 2.700 . 3.600 2.686 2.400 3.019 . 0 0 "[ . 1 . 2]" 1
1054 1 75 VAL HA 1 76 ILE H 2.700 . 3.600 3.539 3.472 3.589 . 0 0 "[ . 1 . 2]" 1
1055 1 75 VAL H 1 75 VAL MG2 2.600 . 3.400 2.232 2.099 2.362 . 0 0 "[ . 1 . 2]" 1
1056 1 75 VAL H 1 75 VAL HB 2.700 . 3.600 2.457 2.386 2.526 . 0 0 "[ . 1 . 2]" 1
1057 1 75 VAL H 1 76 ILE H 2.100 . 2.400 2.385 2.240 2.439 0.039 6 0 "[ . 1 . 2]" 1
1058 1 76 ILE HA 1 83 LEU H 3.100 . 4.400 3.478 3.224 3.751 . 0 0 "[ . 1 . 2]" 1
1059 1 76 ILE MG 1 81 SER H 3.600 . 5.400 3.563 2.781 4.107 . 0 0 "[ . 1 . 2]" 1
1060 1 76 ILE MG 1 77 LEU H 3.600 . 5.400 2.703 2.475 2.910 . 0 0 "[ . 1 . 2]" 1
1061 1 76 ILE HB 1 77 LEU H 3.100 . 4.400 4.210 4.022 4.333 . 0 0 "[ . 1 . 2]" 1
1062 1 76 ILE HG12 1 77 LEU H 3.300 . 4.800 4.854 4.808 4.895 0.095 4 0 "[ . 1 . 2]" 1
1063 1 76 ILE HG13 1 77 LEU H 3.300 . 4.800 4.213 3.482 4.936 0.136 20 0 "[ . 1 . 2]" 1
1064 1 76 ILE MG 1 80 ARG H 3.600 . 5.400 3.224 2.961 3.391 . 0 0 "[ . 1 . 2]" 1
1065 1 76 ILE H 1 76 ILE MD 3.600 . 5.400 3.314 2.779 3.940 . 0 0 "[ . 1 . 2]" 1
1066 1 76 ILE HA 1 77 LEU H 2.000 . 2.200 1.957 1.868 2.027 . 0 0 "[ . 1 . 2]" 1
1067 1 76 ILE H 1 76 ILE HG12 3.100 . 4.400 3.803 2.937 4.466 0.066 6 0 "[ . 1 . 2]" 1
1068 1 76 ILE H 1 77 LEU H 3.300 . 4.800 4.253 4.150 4.331 . 0 0 "[ . 1 . 2]" 1
1069 1 76 ILE MG 1 79 ASP H 3.800 . 5.800 4.612 4.363 4.751 . 0 0 "[ . 1 . 2]" 1
1070 1 76 ILE H 1 76 ILE HB 3.100 . 4.400 2.495 2.350 2.640 . 0 0 "[ . 1 . 2]" 1
1071 1 76 ILE H 1 76 ILE MG 3.200 . 4.600 3.708 3.542 3.856 . 0 0 "[ . 1 . 2]" 1
1072 1 76 ILE H 1 76 ILE HG13 3.100 . 4.400 4.332 4.217 4.416 0.016 12 0 "[ . 1 . 2]" 1
1073 1 76 ILE H 1 76 ILE HA 2.300 . 2.800 2.869 2.855 2.885 0.085 4 0 "[ . 1 . 2]" 1
1074 1 77 LEU QD 1 81 SER H 4.250 . 6.700 3.967 3.682 4.325 . 0 0 "[ . 1 . 2]" 1
1075 1 77 LEU QB 1 81 SER H 3.150 . 4.500 2.535 2.258 2.971 . 0 0 "[ . 1 . 2]" 1
1076 1 77 LEU H 1 82 VAL HA 3.100 . 4.400 4.215 3.977 4.406 0.006 18 0 "[ . 1 . 2]" 1
1077 1 77 LEU MD2 1 79 ASP H 3.800 . 5.800 4.680 4.544 4.792 . 0 0 "[ . 1 . 2]" 1
1078 1 77 LEU H 1 77 LEU MD1 3.600 . 5.400 3.961 3.837 4.028 . 0 0 "[ . 1 . 2]" 1
1079 1 77 LEU H 1 77 LEU MD2 3.600 . 5.400 3.469 3.356 3.573 . 0 0 "[ . 1 . 2]" 1
1080 1 77 LEU H 1 77 LEU HG 3.100 . 4.400 2.752 2.567 2.867 . 0 0 "[ . 1 . 2]" 1
1081 1 77 LEU H 1 77 LEU HB2 3.100 . 4.400 2.483 2.424 2.539 . 0 0 "[ . 1 . 2]" 1
1082 1 77 LEU H 1 77 LEU HA 2.700 . 3.600 2.926 2.903 2.950 . 0 0 "[ . 1 . 2]" 1
1083 1 77 LEU HA 1 79 ASP H 3.100 . 4.400 4.038 3.790 4.179 . 0 0 "[ . 1 . 2]" 1
1084 1 77 LEU QB 1 80 ARG H 3.550 . 5.300 3.439 3.199 3.637 . 0 0 "[ . 1 . 2]" 1
1085 1 77 LEU H 1 83 LEU H 3.300 . 4.800 4.537 4.267 4.809 0.009 6 0 "[ . 1 . 2]" 1
1086 1 77 LEU QD 1 79 ASP H 4.250 . 6.700 3.915 3.782 4.054 . 0 0 "[ . 1 . 2]" 1
1087 1 78 PRO HA 1 80 ARG H 3.100 . 4.400 3.433 3.264 3.600 . 0 0 "[ . 1 . 2]" 1
1088 1 78 PRO HB2 1 79 ASP H 3.100 . 4.400 3.223 2.961 3.535 . 0 0 "[ . 1 . 2]" 1
1089 1 78 PRO HD3 1 79 ASP H 3.100 . 4.400 3.505 3.280 3.596 . 0 0 "[ . 1 . 2]" 1
1090 1 78 PRO HB3 1 79 ASP H 3.100 . 4.400 4.280 4.166 4.385 . 0 0 "[ . 1 . 2]" 1
1091 1 78 PRO HG2 1 79 ASP H 3.100 . 4.400 4.315 4.032 4.420 0.020 14 0 "[ . 1 . 2]" 1
1092 1 78 PRO HG3 1 79 ASP H 3.100 . 4.400 4.431 4.281 4.464 0.064 2 0 "[ . 1 . 2]" 1
1093 1 78 PRO HD2 1 79 ASP H 3.100 . 4.400 2.451 2.152 2.544 . 0 0 "[ . 1 . 2]" 1
1094 1 78 PRO HA 1 79 ASP H 2.700 . 3.600 3.281 3.129 3.360 . 0 0 "[ . 1 . 2]" 1
1095 1 79 ASP HA 1 80 ARG H 2.700 . 3.600 3.278 3.119 3.423 . 0 0 "[ . 1 . 2]" 1
1096 1 79 ASP HB3 1 81 SER H 3.300 . 4.800 3.108 2.581 3.814 . 0 0 "[ . 1 . 2]" 1
1097 1 79 ASP HB2 1 80 ARG H 3.300 . 4.800 4.319 4.234 4.453 . 0 0 "[ . 1 . 2]" 1
1098 1 79 ASP HB3 1 80 ARG H 3.300 . 4.800 3.471 3.302 3.834 . 0 0 "[ . 1 . 2]" 1
1099 1 79 ASP H 1 79 ASP HB2 2.300 . 2.800 2.722 2.546 2.831 0.031 14 0 "[ . 1 . 2]" 1
1100 1 79 ASP H 1 79 ASP HB3 2.300 . 2.800 2.366 2.141 2.639 . 0 0 "[ . 1 . 2]" 1
1101 1 79 ASP H 1 79 ASP HA 2.300 . 2.800 2.878 2.860 2.895 0.095 19 0 "[ . 1 . 2]" 1
1102 1 79 ASP H 1 81 SER H 3.100 . 4.400 3.468 3.175 3.827 . 0 0 "[ . 1 . 2]" 1
1103 1 79 ASP H 1 80 ARG H 2.100 . 2.400 2.344 2.197 2.434 0.034 19 0 "[ . 1 . 2]" 1
1104 1 80 ARG HB3 1 81 SER H 3.100 . 4.400 4.085 3.646 4.415 0.015 20 0 "[ . 1 . 2]" 1
1105 1 80 ARG HB2 1 81 SER H 3.100 . 4.400 4.425 4.319 4.463 0.063 1 0 "[ . 1 . 2]" 1
1106 1 80 ARG H 1 80 ARG HB2 2.700 . 3.600 3.134 2.983 3.258 . 0 0 "[ . 1 . 2]" 1
1107 1 80 ARG HA 1 81 SER H 2.700 . 3.600 2.695 2.170 3.135 . 0 0 "[ . 1 . 2]" 1
1108 1 80 ARG H 1 80 ARG HB3 2.700 . 3.600 3.605 3.397 3.680 0.080 18 0 "[ . 1 . 2]" 1
1109 1 80 ARG H 1 81 SER H 2.300 . 2.800 2.525 2.316 2.738 . 0 0 "[ . 1 . 2]" 1
1110 1 81 SER H 1 81 SER HA 2.300 . 2.800 2.858 2.789 2.910 0.110 15 0 "[ . 1 . 2]" 1
1111 1 81 SER QB 1 82 VAL H 3.150 . 4.500 2.912 2.581 3.133 . 0 0 "[ . 1 . 2]" 1
1112 1 81 SER HA 1 82 VAL H 2.000 . 2.200 2.093 1.986 2.173 . 0 0 "[ . 1 . 2]" 1
1113 1 81 SER H 1 82 VAL H 3.100 . 4.400 4.371 4.245 4.449 0.049 1 0 "[ . 1 . 2]" 1
1114 1 82 VAL MG2 1 83 LEU H 3.600 . 5.400 3.908 3.543 4.063 . 0 0 "[ . 1 . 2]" 1
1115 1 82 VAL MG1 1 83 LEU H 3.600 . 5.400 3.180 2.973 3.284 . 0 0 "[ . 1 . 2]" 1
1116 1 82 VAL H 1 82 VAL MG2 3.200 . 4.600 2.829 2.613 3.189 . 0 0 "[ . 1 . 2]" 1
1117 1 82 VAL H 1 82 VAL HB 2.300 . 2.800 2.107 2.013 2.257 . 0 0 "[ . 1 . 2]" 1
1118 1 82 VAL H 1 82 VAL HA 2.700 . 3.600 2.907 2.889 2.920 . 0 0 "[ . 1 . 2]" 1
1119 1 82 VAL H 1 82 VAL MG1 3.200 . 4.600 3.512 3.445 3.575 . 0 0 "[ . 1 . 2]" 1
1120 1 82 VAL HA 1 83 LEU H 2.000 . 2.200 2.203 2.148 2.222 0.022 14 0 "[ . 1 . 2]" 1
1121 1 83 LEU H 1 83 LEU MD1 3.600 . 5.400 2.942 2.781 3.109 . 0 0 "[ . 1 . 2]" 1
1122 1 83 LEU H 1 83 LEU HB2 2.700 . 3.600 2.347 2.263 2.469 . 0 0 "[ . 1 . 2]" 1
1123 1 83 LEU H 1 83 LEU HB3 2.700 . 3.600 3.484 3.416 3.565 . 0 0 "[ . 1 . 2]" 1
1124 1 83 LEU H 1 83 LEU HA 2.700 . 3.600 2.898 2.875 2.919 . 0 0 "[ . 1 . 2]" 1
1125 1 83 LEU HG 1 84 SER H 2.700 . 3.600 3.616 3.486 3.664 0.064 16 0 "[ . 1 . 2]" 1
1126 1 83 LEU HA 1 84 SER H 2.000 . 2.200 1.997 1.932 2.116 . 0 0 "[ . 1 . 2]" 1
1127 1 83 LEU MD1 1 84 SER H 3.200 . 4.600 3.743 3.698 3.809 . 0 0 "[ . 1 . 2]" 1
1128 1 83 LEU HB3 1 84 SER H 3.100 . 4.400 3.256 2.997 3.399 . 0 0 "[ . 1 . 2]" 1
1129 1 83 LEU HB2 1 84 SER H 3.100 . 4.400 4.302 4.173 4.375 . 0 0 "[ . 1 . 2]" 1
1130 1 84 SER H 1 84 SER QB 2.750 . 3.700 2.605 2.260 2.981 . 0 0 "[ . 1 . 2]" 1
1131 1 84 SER H 1 84 SER HA 2.700 . 3.600 2.952 2.936 2.968 . 0 0 "[ . 1 . 2]" 1
1132 1 84 SER QB 1 85 GLY H 3.150 . 4.500 3.305 2.664 3.872 . 0 0 "[ . 1 . 2]" 1
1133 1 84 SER HA 1 85 GLY H 2.000 . 2.200 2.163 2.068 2.271 0.071 8 0 "[ . 1 . 2]" 1
1134 1 85 GLY HA3 1 86 ASP H 2.700 . 3.600 3.072 2.841 3.378 . 0 0 "[ . 1 . 2]" 1
1135 1 85 GLY HA2 1 86 ASP H 2.000 . 2.200 2.156 2.073 2.205 0.005 14 0 "[ . 1 . 2]" 1
1136 1 85 GLY H 1 85 GLY HA2 2.700 . 3.600 2.935 2.919 2.949 . 0 0 "[ . 1 . 2]" 1
1137 1 85 GLY H 1 85 GLY HA3 2.700 . 3.600 2.454 2.375 2.586 . 0 0 "[ . 1 . 2]" 1
1138 1 86 ASP HA 1 87 PHE H 2.100 . 2.400 2.462 2.426 2.490 0.090 12 0 "[ . 1 . 2]" 1
1139 1 86 ASP H 1 86 ASP QB 2.750 . 3.700 2.751 2.564 2.893 . 0 0 "[ . 1 . 2]" 1
1140 1 86 ASP H 1 86 ASP HA 2.700 . 3.600 2.919 2.899 2.948 . 0 0 "[ . 1 . 2]" 1
1141 1 86 ASP H 1 91 TYR QE 4.350 . 6.900 5.174 4.740 5.712 . 0 0 "[ . 1 . 2]" 1
1142 1 86 ASP QB 1 87 PHE H 3.550 . 5.300 2.556 2.007 2.970 . 0 0 "[ . 1 . 2]" 1
1143 1 87 PHE HB3 1 88 THR H 2.700 . 3.600 3.117 3.000 3.207 . 0 0 "[ . 1 . 2]" 1
1144 1 87 PHE HA 1 88 THR H 2.300 . 2.800 2.281 2.206 2.341 . 0 0 "[ . 1 . 2]" 1
1145 1 87 PHE HB2 1 90 ALA H 2.700 . 3.600 3.312 2.955 3.602 0.002 7 0 "[ . 1 . 2]" 1
1146 1 87 PHE H 1 90 ALA MB 3.800 . 5.800 3.944 3.572 4.356 . 0 0 "[ . 1 . 2]" 1
1147 1 87 PHE HB2 1 89 SER H 2.700 . 3.600 3.583 3.352 3.662 0.062 10 0 "[ . 1 . 2]" 1
1148 1 87 PHE HB3 1 89 SER H 2.700 . 3.600 2.577 2.283 2.842 . 0 0 "[ . 1 . 2]" 1
1149 1 87 PHE HB2 1 88 THR H 3.100 . 4.400 4.093 4.022 4.171 . 0 0 "[ . 1 . 2]" 1
1150 1 87 PHE QD 1 88 THR H 4.150 . 6.500 4.288 3.987 4.504 . 0 0 "[ . 1 . 2]" 1
1151 1 87 PHE H 1 87 PHE HB2 2.700 . 3.600 2.298 2.215 2.465 . 0 0 "[ . 1 . 2]" 1
1152 1 87 PHE H 1 87 PHE HB3 2.700 . 3.600 3.598 3.556 3.648 0.048 10 0 "[ . 1 . 2]" 1
1153 1 87 PHE H 1 87 PHE HA 2.700 . 3.600 2.893 2.856 2.923 . 0 0 "[ . 1 . 2]" 1
1154 1 87 PHE H 1 87 PHE QD 3.350 . 4.900 2.183 2.051 2.443 . 0 0 "[ . 1 . 2]" 1
1155 1 87 PHE QD 1 89 SER H 4.350 . 6.900 4.400 4.042 4.743 . 0 0 "[ . 1 . 2]" 1
1156 1 87 PHE H 1 90 ALA H 3.300 . 4.800 4.647 4.402 4.817 0.017 15 0 "[ . 1 . 2]" 1
1157 1 87 PHE QD 1 90 ALA H 4.150 . 6.500 5.191 4.934 5.375 . 0 0 "[ . 1 . 2]" 1
1158 1 87 PHE HA 1 89 SER H 3.100 . 4.400 3.836 3.668 4.016 . 0 0 "[ . 1 . 2]" 1
1159 1 87 PHE HB3 1 90 ALA H 2.700 . 3.600 3.578 3.299 3.689 0.089 18 0 "[ . 1 . 2]" 1
1160 1 87 PHE H 1 87 PHE QE 4.150 . 6.500 4.410 4.278 4.689 . 0 0 "[ . 1 . 2]" 1
1161 1 87 PHE H 1 88 THR H 3.300 . 4.800 4.592 4.533 4.659 . 0 0 "[ . 1 . 2]" 1
1162 1 88 THR H 1 88 THR MG 3.200 . 4.600 3.602 3.397 3.702 . 0 0 "[ . 1 . 2]" 1
1163 1 88 THR H 1 88 THR HA 2.700 . 3.600 2.825 2.773 2.865 . 0 0 "[ . 1 . 2]" 1
1164 1 88 THR H 1 88 THR HB 2.700 . 3.600 2.765 2.649 2.880 . 0 0 "[ . 1 . 2]" 1
1165 1 88 THR MG 1 89 SER H 3.600 . 5.400 4.104 3.961 4.211 . 0 0 "[ . 1 . 2]" 1
1166 1 88 THR H 1 89 SER H 3.100 . 4.400 2.588 2.438 2.725 . 0 0 "[ . 1 . 2]" 1
1167 1 88 THR HB 1 89 SER H 2.700 . 3.600 3.079 2.784 3.281 . 0 0 "[ . 1 . 2]" 1
1168 1 88 THR H 1 90 ALA H 3.300 . 4.800 4.403 4.232 4.601 . 0 0 "[ . 1 . 2]" 1
1169 1 88 THR HA 1 91 TYR H 3.100 . 4.400 3.681 3.417 4.033 . 0 0 "[ . 1 . 2]" 1
1170 1 88 THR HA 1 89 SER H 2.700 . 3.600 3.429 3.307 3.541 . 0 0 "[ . 1 . 2]" 1
1171 1 89 SER H 1 89 SER HB2 2.700 . 3.600 2.976 2.203 3.459 . 0 0 "[ . 1 . 2]" 1
1172 1 89 SER H 1 89 SER HB3 2.300 . 2.800 2.732 2.541 3.050 0.250 16 0 "[ . 1 . 2]" 1
1173 1 89 SER H 1 91 TYR QD 4.150 . 6.500 5.234 4.960 5.798 . 0 0 "[ . 1 . 2]" 1
1174 1 89 SER H 1 90 ALA H 3.100 . 4.400 2.553 2.411 2.740 . 0 0 "[ . 1 . 2]" 1
1175 1 89 SER HB2 1 90 ALA H 2.700 . 3.600 3.540 2.726 3.695 0.095 20 0 "[ . 1 . 2]" 1
1176 1 90 ALA MB 1 91 TYR H 3.200 . 4.600 3.465 3.350 3.545 . 0 0 "[ . 1 . 2]" 1
1177 1 90 ALA HA 1 91 TYR H 2.300 . 2.800 2.918 2.890 2.961 0.161 14 0 "[ . 1 . 2]" 1
1178 1 90 ALA H 1 90 ALA MB 2.600 . 3.400 2.325 2.275 2.409 . 0 0 "[ . 1 . 2]" 1
1179 1 90 ALA H 1 90 ALA HA 2.300 . 2.800 2.877 2.836 2.895 0.095 15 0 "[ . 1 . 2]" 1
1180 1 90 ALA H 1 91 TYR H 2.300 . 2.800 2.532 2.267 2.721 . 0 0 "[ . 1 . 2]" 1
1181 1 90 ALA H 1 91 TYR QD 4.350 . 6.900 3.518 2.962 4.398 . 0 0 "[ . 1 . 2]" 1
1182 1 91 TYR HB2 1 92 ALA H 2.700 . 3.600 2.900 2.107 3.488 . 0 0 "[ . 1 . 2]" 1
1183 1 91 TYR HB3 1 92 ALA H 2.700 . 3.600 2.142 1.772 2.677 0.028 9 0 "[ . 1 . 2]" 1
1184 1 91 TYR HA 1 92 ALA H 2.700 . 3.600 3.122 2.563 3.608 0.008 4 0 "[ . 1 . 2]" 1
1185 1 91 TYR H 1 91 TYR HB2 2.700 . 3.600 2.561 2.472 2.668 . 0 0 "[ . 1 . 2]" 1
1186 1 91 TYR H 1 91 TYR HB3 2.700 . 3.600 3.630 3.520 3.686 0.086 18 0 "[ . 1 . 2]" 1
1187 1 91 TYR H 1 91 TYR HA 2.300 . 2.800 2.882 2.864 2.900 0.100 6 0 "[ . 1 . 2]" 1
1188 1 91 TYR H 1 91 TYR QD 3.350 . 4.900 3.405 2.926 3.722 . 0 0 "[ . 1 . 2]" 1
1189 1 91 TYR H 1 91 TYR QE 4.350 . 6.900 5.599 5.201 5.877 . 0 0 "[ . 1 . 2]" 1
1190 1 91 TYR QD 1 92 ALA H 3.750 . 5.700 3.578 2.562 4.338 . 0 0 "[ . 1 . 2]" 1
1191 1 92 ALA H 1 92 ALA MB 2.600 . 3.400 2.571 2.200 2.918 . 0 0 "[ . 1 . 2]" 1
1192 1 92 ALA H 1 92 ALA HA 2.300 . 2.800 2.520 2.111 2.890 0.090 11 0 "[ . 1 . 2]" 1
1193 1 92 ALA MB 1 94 ASP H 3.200 . 4.600 3.385 2.585 3.988 . 0 0 "[ . 1 . 2]" 1
1194 1 92 ALA MB 1 93 ASP H 2.800 . 3.800 2.937 1.852 3.337 . 0 0 "[ . 1 . 2]" 1
1195 1 92 ALA HA 1 93 ASP H 2.700 . 3.600 2.768 1.846 3.554 . 0 0 "[ . 1 . 2]" 1
1196 1 92 ALA H 1 93 ASP H 2.700 . 3.600 2.810 2.105 3.719 0.119 7 0 "[ . 1 . 2]" 1
1197 1 92 ALA HA 1 94 ASP H 3.100 . 4.400 3.995 2.586 4.537 0.137 7 0 "[ . 1 . 2]" 1
1198 1 93 ASP H 1 93 ASP HA 2.300 . 2.800 2.537 2.160 2.884 0.084 14 0 "[ . 1 . 2]" 1
1199 1 93 ASP H 1 93 ASP HB2 2.700 . 3.600 3.074 2.411 3.653 0.053 16 0 "[ . 1 . 2]" 1
1200 1 93 ASP H 1 93 ASP HB3 2.700 . 3.600 3.337 2.432 3.842 0.242 13 0 "[ . 1 . 2]" 1
1201 1 94 ASP H 1 94 ASP HA 2.700 . 3.600 2.726 2.224 2.957 . 0 0 "[ . 1 . 2]" 1
1202 1 94 ASP H 1 94 ASP HB2 2.700 . 3.600 2.992 2.232 3.617 0.017 13 0 "[ . 1 . 2]" 1
1203 1 94 ASP H 1 94 ASP HB3 2.700 . 3.600 3.127 2.471 3.671 0.071 17 0 "[ . 1 . 2]" 1
1204 1 95 ASP QB 1 96 GLU H 3.550 . 5.300 3.800 2.924 4.022 . 0 0 "[ . 1 . 2]" 1
1205 1 95 ASP H 1 95 ASP HA 2.700 . 3.600 2.884 2.686 2.939 . 0 0 "[ . 1 . 2]" 1
1206 1 95 ASP H 1 95 ASP HB3 2.300 . 2.800 2.582 2.378 2.801 0.001 10 0 "[ . 1 . 2]" 1
1207 1 95 ASP HA 1 96 GLU H 2.300 . 2.800 2.260 2.021 2.981 0.181 8 0 "[ . 1 . 2]" 1
1208 1 95 ASP H 1 95 ASP HB2 2.300 . 2.800 2.704 2.354 2.957 0.157 9 0 "[ . 1 . 2]" 1
1209 1 96 GLU H 1 96 GLU HB3 2.700 . 3.600 3.243 2.496 3.656 0.056 8 0 "[ . 1 . 2]" 1
1210 1 96 GLU H 1 96 GLU HB2 2.700 . 3.600 2.794 2.172 3.738 0.138 14 0 "[ . 1 . 2]" 1
1211 1 96 GLU QB 1 97 SER H 3.550 . 5.300 2.972 1.928 3.990 . 0 0 "[ . 1 . 2]" 1
1212 1 96 GLU HA 1 97 SER H 3.100 . 4.400 2.616 2.030 3.560 . 0 0 "[ . 1 . 2]" 1
1213 1 96 GLU H 1 96 GLU HA 2.700 . 3.600 2.829 2.214 2.965 . 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 30
_Distance_constraint_stats_list.Viol_count 147
_Distance_constraint_stats_list.Viol_total 89.700
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0305
_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 35 CYS 0.011 0.011 16 0 "[ . 1 . 2]"
1 37 ILE 0.143 0.031 14 0 "[ . 1 . 2]"
1 38 GLN 0.705 0.057 2 0 "[ . 1 . 2]"
1 39 ARG 0.094 0.034 3 0 "[ . 1 . 2]"
1 40 TYR 0.503 0.108 16 0 "[ . 1 . 2]"
1 47 ASN 0.094 0.034 3 0 "[ . 1 . 2]"
1 49 TYR 0.143 0.031 14 0 "[ . 1 . 2]"
1 51 ALA 0.011 0.011 16 0 "[ . 1 . 2]"
1 55 GLU 1.847 0.130 10 0 "[ . 1 . 2]"
1 57 ILE 0.096 0.043 18 0 "[ . 1 . 2]"
1 59 ILE 0.391 0.044 15 0 "[ . 1 . 2]"
1 62 TYR 0.391 0.044 15 0 "[ . 1 . 2]"
1 64 VAL 0.096 0.043 18 0 "[ . 1 . 2]"
1 65 PHE 0.075 0.022 16 0 "[ . 1 . 2]"
1 66 VAL 1.847 0.130 10 0 "[ . 1 . 2]"
1 73 TYR 0.075 0.022 16 0 "[ . 1 . 2]"
1 75 VAL 0.039 0.022 18 0 "[ . 1 . 2]"
1 77 LEU 0.582 0.062 7 0 "[ . 1 . 2]"
1 81 SER 0.582 0.062 7 0 "[ . 1 . 2]"
1 82 VAL 0.503 0.108 16 0 "[ . 1 . 2]"
1 83 LEU 0.039 0.022 18 0 "[ . 1 . 2]"
1 84 SER 0.705 0.057 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 CYS H 1 51 ALA O 1.900 . 2.000 1.842 1.789 1.951 0.011 16 0 "[ . 1 . 2]" 2
2 1 35 CYS N 1 51 ALA O 2.400 . 3.000 2.700 2.656 2.748 . 0 0 "[ . 1 . 2]" 2
3 1 37 ILE H 1 49 TYR O 1.900 . 2.000 1.819 1.769 1.892 0.031 14 0 "[ . 1 . 2]" 2
4 1 37 ILE N 1 49 TYR O 2.400 . 3.000 2.777 2.732 2.845 . 0 0 "[ . 1 . 2]" 2
5 1 38 GLN H 1 84 SER O 1.900 . 2.000 1.786 1.743 1.973 0.057 2 0 "[ . 1 . 2]" 2
6 1 38 GLN N 1 84 SER O 2.400 . 3.000 2.743 2.695 2.857 . 0 0 "[ . 1 . 2]" 2
7 1 39 ARG H 1 47 ASN O 1.900 . 2.000 1.839 1.766 1.992 0.034 3 0 "[ . 1 . 2]" 2
8 1 39 ARG N 1 47 ASN O 2.400 . 3.000 2.787 2.705 2.920 . 0 0 "[ . 1 . 2]" 2
9 1 55 GLU H 1 66 VAL O 1.900 . 2.000 2.071 2.031 2.130 0.130 10 0 "[ . 1 . 2]" 2
10 1 55 GLU N 1 66 VAL O 2.400 . 3.000 2.944 2.904 3.005 0.005 6 0 "[ . 1 . 2]" 2
11 1 57 ILE H 1 64 VAL O 1.900 . 2.000 1.864 1.757 1.974 0.043 18 0 "[ . 1 . 2]" 2
12 1 57 ILE N 1 64 VAL O 2.400 . 3.000 2.730 2.699 2.812 . 0 0 "[ . 1 . 2]" 2
13 1 59 ILE H 1 62 TYR O 1.900 . 2.000 1.784 1.756 1.839 0.044 15 0 "[ . 1 . 2]" 2
14 1 59 ILE N 1 62 TYR O 2.400 . 3.000 2.758 2.735 2.811 . 0 0 "[ . 1 . 2]" 2
15 1 57 ILE O 1 64 VAL H 1.900 . 2.000 1.848 1.788 1.958 0.012 20 0 "[ . 1 . 2]" 2
16 1 57 ILE O 1 64 VAL N 2.400 . 3.000 2.816 2.757 2.933 . 0 0 "[ . 1 . 2]" 2
17 1 65 PHE H 1 73 TYR O 1.900 . 2.000 1.918 1.782 2.022 0.022 16 0 "[ . 1 . 2]" 2
18 1 65 PHE N 1 73 TYR O 2.400 . 3.000 2.811 2.707 2.900 . 0 0 "[ . 1 . 2]" 2
19 1 55 GLU O 1 66 VAL H 1.900 . 2.000 1.783 1.749 1.848 0.051 1 0 "[ . 1 . 2]" 2
20 1 55 GLU O 1 66 VAL N 2.400 . 3.000 2.757 2.717 2.826 . 0 0 "[ . 1 . 2]" 2
21 1 65 PHE O 1 73 TYR H 1.900 . 2.000 1.870 1.794 1.975 0.006 1 0 "[ . 1 . 2]" 2
22 1 65 PHE O 1 73 TYR N 2.400 . 3.000 2.753 2.696 2.846 . 0 0 "[ . 1 . 2]" 2
23 1 77 LEU H 1 81 SER O 1.900 . 2.000 2.004 1.819 2.062 0.062 7 0 "[ . 1 . 2]" 2
24 1 77 LEU N 1 81 SER O 2.400 . 3.000 2.977 2.803 3.034 0.034 18 0 "[ . 1 . 2]" 2
25 1 40 TYR O 1 82 VAL H 1.900 . 2.000 1.802 1.692 1.901 0.108 16 0 "[ . 1 . 2]" 2
26 1 40 TYR O 1 82 VAL N 2.400 . 3.000 2.730 2.650 2.808 . 0 0 "[ . 1 . 2]" 2
27 1 75 VAL O 1 83 LEU H 1.900 . 2.000 1.897 1.795 2.022 0.022 18 0 "[ . 1 . 2]" 2
28 1 75 VAL O 1 83 LEU N 2.400 . 3.000 2.789 2.720 2.897 . 0 0 "[ . 1 . 2]" 2
29 1 38 GLN O 1 84 SER H 1.900 . 2.000 1.855 1.753 2.005 0.047 18 0 "[ . 1 . 2]" 2
30 1 38 GLN O 1 84 SER N 2.400 . 3.000 2.836 2.742 2.950 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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