NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521059 |
2ljf   |
17932 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ljf
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 779
_Distance_constraint_stats_list.Viol_count 1866
_Distance_constraint_stats_list.Viol_total 1836.081
_Distance_constraint_stats_list.Viol_max 0.285
_Distance_constraint_stats_list.Viol_rms 0.0315
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.0656
_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 21 LYS 1.609 0.152 13 0 "[ . 1 .]"
1 22 LEU 4.398 0.232 15 0 "[ . 1 .]"
1 23 LEU 1.669 0.135 8 0 "[ . 1 .]"
1 24 ILE 2.215 0.187 10 0 "[ . 1 .]"
1 25 THR 0.200 0.049 8 0 "[ . 1 .]"
1 26 ILE 5.177 0.217 8 0 "[ . 1 .]"
1 27 HIS 5.091 0.187 10 0 "[ . 1 .]"
1 28 ASP 1.233 0.175 14 0 "[ . 1 .]"
1 29 ARG 8.945 0.227 3 0 "[ . 1 .]"
1 30 LYS 7.399 0.238 10 0 "[ . 1 .]"
1 31 GLU 4.011 0.176 9 0 "[ . 1 .]"
1 32 PHE 8.376 0.176 9 0 "[ . 1 .]"
1 33 ALA 1.673 0.101 10 0 "[ . 1 .]"
1 34 LYS 4.271 0.155 11 0 "[ . 1 .]"
1 35 PHE 10.092 0.191 11 0 "[ . 1 .]"
1 36 GLU 5.626 0.191 11 0 "[ . 1 .]"
1 37 GLU 1.952 0.155 6 0 "[ . 1 .]"
1 38 GLU 12.113 0.250 5 0 "[ . 1 .]"
1 39 ARG 5.917 0.285 14 0 "[ . 1 .]"
1 40 ALA 0.404 0.060 7 0 "[ . 1 .]"
1 41 ARG 2.777 0.204 3 0 "[ . 1 .]"
1 42 ALA 1.951 0.204 3 0 "[ . 1 .]"
1 43 LYS 6.133 0.209 7 0 "[ . 1 .]"
1 44 TRP 15.107 0.232 15 0 "[ . 1 .]"
1 45 ASP 5.649 0.197 2 0 "[ . 1 .]"
1 46 THR 1.759 0.161 7 0 "[ . 1 .]"
1 47 ALA 1.687 0.161 7 0 "[ . 1 .]"
1 48 ASN 7.791 0.197 2 0 "[ . 1 .]"
1 49 ASN 7.113 0.240 4 0 "[ . 1 .]"
1 50 PRO 4.468 0.240 4 0 "[ . 1 .]"
1 51 LEU 4.957 0.135 8 0 "[ . 1 .]"
1 52 PTR 6.320 0.208 9 0 "[ . 1 .]"
1 53 LYS 3.745 0.251 14 0 "[ . 1 .]"
1 54 GLU 1.357 0.102 7 0 "[ . 1 .]"
1 55 ALA 1.118 0.134 3 0 "[ . 1 .]"
1 56 THR 2.244 0.161 14 0 "[ . 1 .]"
1 57 SER 3.333 0.209 7 0 "[ . 1 .]"
1 58 THR 2.999 0.206 14 0 "[ . 1 .]"
1 59 PHE 6.749 0.206 14 0 "[ . 1 .]"
1 60 THR 2.930 0.201 10 0 "[ . 1 .]"
1 61 ASN 7.277 0.241 11 0 "[ . 1 .]"
1 62 ILE 6.023 0.209 3 0 "[ . 1 .]"
1 63 THR 4.173 0.241 11 0 "[ . 1 .]"
1 64 TYR 7.180 0.209 3 0 "[ . 1 .]"
1 65 ARG 5.027 0.232 9 0 "[ . 1 .]"
1 66 GLY 2.784 0.165 12 0 "[ . 1 .]"
1 67 THR 1.165 0.175 14 0 "[ . 1 .]"
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 21 LYS HB3 1 22 LEU H 3.050 . 4.300 3.478 1.746 4.452 0.152 13 0 "[ . 1 .]" 1
2 1 21 LYS QG 1 22 LEU H 2.795 . 3.790 3.065 1.754 3.832 0.046 5 0 "[ . 1 .]" 1
3 1 21 LYS QB 1 22 LEU H 2.985 . 4.170 2.900 1.726 3.912 0.074 9 0 "[ . 1 .]" 1
4 1 21 LYS HB2 1 22 LEU H 3.050 . 4.300 3.438 1.882 4.335 0.035 13 0 "[ . 1 .]" 1
5 1 21 LYS HA 1 22 LEU H 2.640 . 3.480 3.385 2.245 3.613 0.133 2 0 "[ . 1 .]" 1
6 1 22 LEU H 1 22 LEU MD2 3.500 . 5.200 2.434 1.797 4.033 0.003 6 0 "[ . 1 .]" 1
7 1 22 LEU H 1 22 LEU HA 2.800 . 3.800 2.846 2.799 2.917 . 0 0 "[ . 1 .]" 1
8 1 22 LEU H 1 22 LEU MD1 3.500 . 5.200 3.532 3.127 4.190 . 0 0 "[ . 1 .]" 1
9 1 22 LEU H 1 22 LEU HG 2.800 . 3.800 3.645 2.439 3.980 0.180 7 0 "[ . 1 .]" 1
10 1 22 LEU H 1 22 LEU QD 2.795 . 3.790 2.337 1.788 3.658 0.012 6 0 "[ . 1 .]" 1
11 1 22 LEU H 1 22 LEU QB 2.690 . 3.580 2.371 2.199 2.687 . 0 0 "[ . 1 .]" 1
12 1 22 LEU QB 1 23 LEU H 2.750 . 3.700 1.991 1.771 2.247 0.029 2 0 "[ . 1 .]" 1
13 1 22 LEU QB 1 44 TRP HZ2 4.000 . 6.200 5.739 5.021 6.207 0.007 13 0 "[ . 1 .]" 1
14 1 22 LEU QD 1 44 TRP HE1 3.650 . 5.500 5.103 4.431 5.514 0.014 11 0 "[ . 1 .]" 1
15 1 22 LEU QB 1 44 TRP HD1 2.865 . 3.930 2.002 1.733 2.263 0.067 12 0 "[ . 1 .]" 1
16 1 22 LEU QB 1 44 TRP HE3 3.650 . 5.500 5.092 4.412 5.602 0.102 8 0 "[ . 1 .]" 1
17 1 22 LEU H 1 44 TRP HD1 3.350 . 4.900 4.903 3.770 5.132 0.232 15 0 "[ . 1 .]" 1
18 1 22 LEU QB 1 45 ASP H 4.000 . 6.200 5.462 4.700 6.114 . 0 0 "[ . 1 .]" 1
19 1 22 LEU HA 1 23 LEU H 2.900 . 4.000 3.574 3.534 3.608 . 0 0 "[ . 1 .]" 1
20 1 22 LEU H 1 23 LEU H 2.420 . 3.040 2.804 2.323 3.049 0.009 6 0 "[ . 1 .]" 1
21 1 22 LEU QD 1 23 LEU H 2.805 . 3.810 3.615 3.375 3.876 0.066 13 0 "[ . 1 .]" 1
22 1 23 LEU H 1 23 LEU QB 2.720 . 3.640 2.652 2.430 2.840 . 0 0 "[ . 1 .]" 1
23 1 23 LEU H 1 23 LEU MD1 3.270 . 4.740 4.265 3.961 4.433 . 0 0 "[ . 1 .]" 1
24 1 23 LEU H 1 23 LEU MD2 3.270 . 4.740 3.781 3.542 4.038 . 0 0 "[ . 1 .]" 1
25 1 23 LEU H 1 23 LEU HA 2.800 . 3.800 2.934 2.894 2.957 . 0 0 "[ . 1 .]" 1
26 1 23 LEU H 1 23 LEU QD 2.765 . 3.730 3.537 3.327 3.738 0.008 15 0 "[ . 1 .]" 1
27 1 23 LEU H 1 23 LEU HG 2.650 . 3.500 3.214 2.808 3.472 . 0 0 "[ . 1 .]" 1
28 1 23 LEU MD2 1 24 ILE H 3.500 . 5.200 4.578 4.473 4.704 . 0 0 "[ . 1 .]" 1
29 1 23 LEU MD1 1 24 ILE H 3.500 . 5.200 4.292 3.968 4.479 . 0 0 "[ . 1 .]" 1
30 1 23 LEU QD 1 24 ILE H 3.120 . 4.440 3.936 3.714 4.058 . 0 0 "[ . 1 .]" 1
31 1 23 LEU H 1 24 ILE QG 3.105 . 4.410 3.933 3.437 4.474 0.064 13 0 "[ . 1 .]" 1
32 1 23 LEU H 1 24 ILE H 2.725 . 3.650 2.336 1.891 2.727 . 0 0 "[ . 1 .]" 1
33 1 23 LEU QB 1 24 ILE H 2.810 . 3.820 2.251 1.925 2.452 . 0 0 "[ . 1 .]" 1
34 1 23 LEU H 1 25 THR H 3.075 . 4.350 3.210 2.623 3.695 . 0 0 "[ . 1 .]" 1
35 1 23 LEU QB 1 44 TRP HD1 4.000 . 6.200 3.247 2.900 3.641 . 0 0 "[ . 1 .]" 1
36 1 23 LEU MD1 1 44 TRP HD1 3.200 . 4.600 3.082 2.790 3.474 . 0 0 "[ . 1 .]" 1
37 1 23 LEU QD 1 44 TRP HD1 2.605 . 3.410 2.960 2.693 3.269 . 0 0 "[ . 1 .]" 1
38 1 23 LEU HG 1 44 TRP HE1 3.495 . 5.190 2.730 2.230 2.938 . 0 0 "[ . 1 .]" 1
39 1 23 LEU MD2 1 44 TRP HD1 3.200 . 4.600 3.839 3.508 4.191 . 0 0 "[ . 1 .]" 1
40 1 23 LEU HG 1 44 TRP HD1 2.890 . 3.980 2.193 1.772 2.575 0.028 7 0 "[ . 1 .]" 1
41 1 23 LEU HG 1 44 TRP HZ2 3.650 . 5.500 5.483 4.999 5.587 0.087 4 0 "[ . 1 .]" 1
42 1 23 LEU QB 1 44 TRP HE1 3.505 . 5.210 1.853 1.665 2.583 0.135 8 0 "[ . 1 .]" 1
43 1 23 LEU QD 1 44 TRP HZ2 3.465 . 5.130 3.697 3.155 3.935 . 0 0 "[ . 1 .]" 1
44 1 23 LEU H 1 44 TRP HD1 2.880 . 3.960 3.216 2.589 3.773 . 0 0 "[ . 1 .]" 1
45 1 23 LEU QD 1 44 TRP HE1 3.620 . 5.440 1.828 1.762 2.024 0.038 3 0 "[ . 1 .]" 1
46 1 23 LEU HG 1 24 ILE H 3.200 . 4.600 4.322 4.129 4.425 . 0 0 "[ . 1 .]" 1
47 1 23 LEU HA 1 24 ILE H 2.800 . 3.800 3.590 3.550 3.635 . 0 0 "[ . 1 .]" 1
48 1 24 ILE H 1 24 ILE HA 2.800 . 3.800 2.919 2.842 2.956 . 0 0 "[ . 1 .]" 1
49 1 24 ILE H 1 24 ILE MD 2.855 . 3.910 3.382 1.910 3.781 . 0 0 "[ . 1 .]" 1
50 1 24 ILE H 1 24 ILE QG 2.790 . 3.780 2.051 1.875 2.398 . 0 0 "[ . 1 .]" 1
51 1 24 ILE H 1 24 ILE HB 2.800 . 3.800 3.220 2.750 3.678 . 0 0 "[ . 1 .]" 1
52 1 24 ILE QG 1 26 ILE H 3.300 . 4.800 3.498 2.036 4.471 . 0 0 "[ . 1 .]" 1
53 1 24 ILE HB 1 26 ILE H 2.830 . 3.860 2.762 2.388 3.131 . 0 0 "[ . 1 .]" 1
54 1 24 ILE HB 1 44 TRP HH2 4.000 . 6.200 6.084 5.319 6.280 0.080 7 0 "[ . 1 .]" 1
55 1 24 ILE QG 1 44 TRP HZ2 4.000 . 6.200 3.101 2.521 4.201 . 0 0 "[ . 1 .]" 1
56 1 22 LEU H 1 25 THR H 3.285 . 4.770 4.218 3.680 4.779 0.009 6 0 "[ . 1 .]" 1
57 1 23 LEU MD2 1 25 THR H 4.000 . 6.200 6.090 5.915 6.249 0.049 8 0 "[ . 1 .]" 1
58 1 24 ILE HA 1 25 THR H 2.900 . 4.000 3.504 3.413 3.602 . 0 0 "[ . 1 .]" 1
59 1 24 ILE H 1 25 THR H 2.900 . 4.000 2.109 1.865 2.365 . 0 0 "[ . 1 .]" 1
60 1 24 ILE QG 1 25 THR H 2.975 . 4.150 2.959 1.973 3.877 . 0 0 "[ . 1 .]" 1
61 1 24 ILE MD 1 25 THR H 3.220 . 4.640 4.025 1.775 4.646 0.025 4 0 "[ . 1 .]" 1
62 1 24 ILE HB 1 25 THR H 2.900 . 4.000 3.249 2.845 3.704 . 0 0 "[ . 1 .]" 1
63 1 25 THR H 1 25 THR HA 2.800 . 3.800 2.260 2.225 2.298 . 0 0 "[ . 1 .]" 1
64 1 25 THR H 1 25 THR MG 3.210 . 4.620 3.946 3.853 4.086 . 0 0 "[ . 1 .]" 1
65 1 25 THR H 1 25 THR HB 2.800 . 3.800 3.740 3.652 3.830 0.030 15 0 "[ . 1 .]" 1
66 1 25 THR H 1 26 ILE H 2.900 . 4.000 2.673 2.490 2.934 . 0 0 "[ . 1 .]" 1
67 1 25 THR MG 1 26 ILE H 3.040 . 4.280 4.247 4.131 4.303 0.023 15 0 "[ . 1 .]" 1
68 1 25 THR H 1 28 ASP H 3.500 . 5.200 3.890 3.423 4.390 . 0 0 "[ . 1 .]" 1
69 1 25 THR HA 1 26 ILE H 2.900 . 4.000 2.927 2.671 3.079 . 0 0 "[ . 1 .]" 1
70 1 26 ILE H 1 26 ILE HG12 2.800 . 3.800 2.477 2.232 2.777 . 0 0 "[ . 1 .]" 1
71 1 26 ILE H 1 26 ILE HA 2.800 . 3.800 2.926 2.886 2.952 . 0 0 "[ . 1 .]" 1
72 1 26 ILE H 1 26 ILE HG13 2.800 . 3.800 2.861 2.730 3.040 . 0 0 "[ . 1 .]" 1
73 1 26 ILE HA 1 26 ILE MD 3.020 . 4.240 4.204 4.184 4.226 . 0 0 "[ . 1 .]" 1
74 1 26 ILE H 1 26 ILE QG 2.930 . 4.060 2.330 2.145 2.464 . 0 0 "[ . 1 .]" 1
75 1 26 ILE H 1 26 ILE MD 2.920 . 4.040 4.011 3.856 4.106 0.066 6 0 "[ . 1 .]" 1
76 1 26 ILE H 1 26 ILE HB 2.800 . 3.800 3.842 3.798 3.869 0.069 12 0 "[ . 1 .]" 1
77 1 26 ILE MD 1 27 HIS H 2.900 . 4.000 3.620 3.497 3.971 . 0 0 "[ . 1 .]" 1
78 1 26 ILE H 1 27 HIS H 2.980 . 4.160 2.026 1.818 2.323 . 0 0 "[ . 1 .]" 1
79 1 26 ILE HB 1 27 HIS H 2.980 . 4.160 3.469 3.223 3.789 . 0 0 "[ . 1 .]" 1
80 1 26 ILE HA 1 29 ARG QB 3.500 . 5.200 5.063 4.155 5.363 0.163 3 0 "[ . 1 .]" 1
81 1 24 ILE HA 1 27 HIS H 3.700 . 5.600 5.574 5.272 5.787 0.187 10 0 "[ . 1 .]" 1
82 1 24 ILE H 1 27 HIS H 3.500 . 5.200 5.116 4.746 5.376 0.176 8 0 "[ . 1 .]" 1
83 1 26 ILE HG13 1 27 HIS H 2.900 . 4.000 1.853 1.705 2.290 0.095 1 0 "[ . 1 .]" 1
84 1 26 ILE HG12 1 27 HIS H 2.900 . 4.000 2.816 2.654 3.051 . 0 0 "[ . 1 .]" 1
85 1 26 ILE HA 1 27 HIS H 2.900 . 4.000 3.527 3.468 3.568 . 0 0 "[ . 1 .]" 1
86 1 27 HIS H 1 27 HIS HB3 2.800 . 3.800 3.467 2.618 3.704 . 0 0 "[ . 1 .]" 1
87 1 27 HIS H 1 27 HIS HA 2.800 . 3.800 2.933 2.902 2.969 . 0 0 "[ . 1 .]" 1
88 1 27 HIS H 1 27 HIS HB2 2.800 . 3.800 2.457 2.352 2.718 . 0 0 "[ . 1 .]" 1
89 1 27 HIS HB3 1 27 HIS HD2 2.800 . 3.800 2.863 2.704 2.958 . 0 0 "[ . 1 .]" 1
90 1 27 HIS HB2 1 27 HIS HD2 2.800 . 3.800 3.827 3.246 3.892 0.092 6 0 "[ . 1 .]" 1
91 1 27 HIS QB 1 27 HIS HD2 2.580 . 3.360 2.783 2.650 2.870 . 0 0 "[ . 1 .]" 1
92 1 27 HIS H 1 27 HIS HD2 3.500 . 5.200 5.132 4.919 5.239 0.039 8 0 "[ . 1 .]" 1
93 1 27 HIS HB2 1 28 ASP H 2.900 . 4.000 3.595 3.288 4.016 0.016 3 0 "[ . 1 .]" 1
94 1 27 HIS HB3 1 28 ASP H 2.900 . 4.000 3.873 3.059 4.175 0.175 14 0 "[ . 1 .]" 1
95 1 27 HIS QB 1 28 ASP H 2.820 . 3.840 3.269 2.931 3.623 . 0 0 "[ . 1 .]" 1
96 1 27 HIS H 1 30 LYS H 3.500 . 5.200 4.743 4.541 5.102 . 0 0 "[ . 1 .]" 1
97 1 27 HIS HB3 1 30 LYS H 3.500 . 5.200 4.460 4.018 5.170 . 0 0 "[ . 1 .]" 1
98 1 27 HIS HA 1 30 LYS QB 3.380 . 4.960 2.133 1.759 2.857 0.041 7 0 "[ . 1 .]" 1
99 1 27 HIS QB 1 30 LYS H 3.490 . 5.180 4.227 3.855 4.866 . 0 0 "[ . 1 .]" 1
100 1 27 HIS HD2 1 38 GLU QG 4.000 . 6.200 6.109 4.842 6.313 0.113 3 0 "[ . 1 .]" 1
101 1 27 HIS QB 1 39 ARG H 2.855 . 3.910 3.261 2.641 3.951 0.041 6 0 "[ . 1 .]" 1
102 1 27 HIS H 1 44 TRP HH2 3.565 . 5.330 5.224 5.025 5.366 0.036 8 0 "[ . 1 .]" 1
103 1 25 THR HA 1 28 ASP HB3 3.500 . 5.200 3.841 2.478 4.695 . 0 0 "[ . 1 .]" 1
104 1 25 THR HA 1 28 ASP H 3.500 . 5.200 4.005 3.349 4.619 . 0 0 "[ . 1 .]" 1
105 1 25 THR HA 1 28 ASP HB2 3.500 . 5.200 3.269 1.798 4.682 0.002 11 0 "[ . 1 .]" 1
106 1 27 HIS HA 1 28 ASP H 2.900 . 4.000 3.162 2.756 3.359 . 0 0 "[ . 1 .]" 1
107 1 28 ASP H 1 28 ASP HA 2.800 . 3.800 2.781 2.696 2.949 . 0 0 "[ . 1 .]" 1
108 1 28 ASP H 1 28 ASP HB2 2.800 . 3.800 2.805 2.009 3.703 . 0 0 "[ . 1 .]" 1
109 1 28 ASP H 1 28 ASP HB3 2.800 . 3.800 3.155 2.283 3.620 . 0 0 "[ . 1 .]" 1
110 1 28 ASP HB2 1 29 ARG H 2.900 . 4.000 3.277 2.616 4.055 0.055 14 0 "[ . 1 .]" 1
111 1 28 ASP HB3 1 29 ARG H 2.900 . 4.000 3.659 2.348 4.104 0.104 14 0 "[ . 1 .]" 1
112 1 28 ASP QB 1 29 ARG H 2.940 . 4.080 2.915 2.286 3.634 . 0 0 "[ . 1 .]" 1
113 1 28 ASP H 1 30 LYS H 3.500 . 5.200 3.673 3.118 3.877 . 0 0 "[ . 1 .]" 1
114 1 28 ASP QB 1 32 PHE QE 3.380 . 4.960 4.350 2.571 5.010 0.050 7 0 "[ . 1 .]" 1
115 1 28 ASP HA 1 44 TRP HH2 2.800 . 3.800 3.259 2.670 3.833 0.033 5 0 "[ . 1 .]" 1
116 1 26 ILE HA 1 29 ARG H 3.500 . 5.200 4.874 4.512 5.192 . 0 0 "[ . 1 .]" 1
117 1 26 ILE H 1 29 ARG H 3.500 . 5.200 4.513 3.937 4.772 . 0 0 "[ . 1 .]" 1
118 1 27 HIS HB3 1 29 ARG H 3.500 . 5.200 5.055 4.674 5.315 0.115 11 0 "[ . 1 .]" 1
119 1 28 ASP HA 1 29 ARG H 3.900 . 6.000 3.285 2.979 3.468 . 0 0 "[ . 1 .]" 1
120 1 28 ASP HA 1 29 ARG H 2.900 . 4.000 3.407 3.058 3.547 . 0 0 "[ . 1 .]" 1
121 1 29 ARG H 1 29 ARG HB2 2.800 . 3.800 2.700 1.997 3.330 . 0 0 "[ . 1 .]" 1
122 1 29 ARG H 1 29 ARG HG3 3.000 . 4.200 4.282 4.178 4.427 0.227 3 0 "[ . 1 .]" 1
123 1 29 ARG H 1 29 ARG HB3 2.800 . 3.800 2.628 2.391 3.183 . 0 0 "[ . 1 .]" 1
124 1 29 ARG H 1 29 ARG HG2 3.500 . 5.200 4.490 3.527 4.896 . 0 0 "[ . 1 .]" 1
125 1 29 ARG H 1 29 ARG HA 2.800 . 3.800 2.918 2.768 2.995 . 0 0 "[ . 1 .]" 1
126 1 29 ARG H 1 29 ARG QD 3.500 . 5.200 4.340 4.141 4.502 . 0 0 "[ . 1 .]" 1
127 1 29 ARG H 1 29 ARG QG 2.980 . 4.160 3.864 3.363 4.001 . 0 0 "[ . 1 .]" 1
128 1 29 ARG HA 1 29 ARG QD 2.645 . 3.490 2.190 1.919 2.652 . 0 0 "[ . 1 .]" 1
129 1 29 ARG H 1 29 ARG QB 2.725 . 3.650 2.263 1.977 2.529 . 0 0 "[ . 1 .]" 1
130 1 29 ARG H 1 30 LYS H 2.665 . 3.530 2.048 1.796 2.594 0.004 9 0 "[ . 1 .]" 1
131 1 29 ARG QD 1 30 LYS HA 3.000 . 4.200 4.218 3.697 4.354 0.154 13 0 "[ . 1 .]" 1
132 1 29 ARG H 1 30 LYS QG 3.565 . 5.330 4.209 3.401 5.414 0.084 7 0 "[ . 1 .]" 1
133 1 29 ARG QD 1 30 LYS H 3.160 . 4.520 4.433 4.313 4.556 0.036 1 0 "[ . 1 .]" 1
134 1 29 ARG HA 1 32 PHE QD 2.665 . 3.530 2.064 1.747 2.296 0.053 9 0 "[ . 1 .]" 1
135 1 29 ARG QD 1 32 PHE QE 2.910 . 4.020 3.853 3.121 4.098 0.078 1 0 "[ . 1 .]" 1
136 1 29 ARG QD 1 32 PHE QD 2.490 . 3.180 2.224 1.775 2.494 0.025 15 0 "[ . 1 .]" 1
137 1 29 ARG HA 1 32 PHE QE 2.885 . 3.970 2.725 2.203 3.171 . 0 0 "[ . 1 .]" 1
138 1 29 ARG QG 1 32 PHE QD 2.765 . 3.730 3.619 3.060 3.851 0.121 13 0 "[ . 1 .]" 1
139 1 29 ARG H 1 32 PHE QE 3.650 . 5.500 4.681 4.120 5.182 . 0 0 "[ . 1 .]" 1
140 1 29 ARG H 1 42 ALA H 3.900 . 6.000 5.963 5.329 6.081 0.081 3 0 "[ . 1 .]" 1
141 1 26 ILE H 1 30 LYS H 3.700 . 5.600 5.671 5.628 5.761 0.161 4 0 "[ . 1 .]" 1
142 1 27 HIS HA 1 30 LYS H 2.820 . 3.840 2.754 2.325 3.342 . 0 0 "[ . 1 .]" 1
143 1 29 ARG QB 1 30 LYS H 2.900 . 4.000 2.985 2.621 3.213 . 0 0 "[ . 1 .]" 1
144 1 29 ARG HB2 1 30 LYS H 2.900 . 4.000 3.948 3.440 4.194 0.194 10 0 "[ . 1 .]" 1
145 1 29 ARG HB3 1 30 LYS H 2.900 . 4.000 3.112 2.703 3.393 . 0 0 "[ . 1 .]" 1
146 1 29 ARG QG 1 30 LYS H 3.380 . 4.960 4.137 3.286 4.839 . 0 0 "[ . 1 .]" 1
147 1 29 ARG HA 1 30 LYS H 2.900 . 4.000 3.443 3.341 3.546 . 0 0 "[ . 1 .]" 1
148 1 30 LYS H 1 30 LYS QB 2.755 . 3.710 2.357 2.218 2.439 . 0 0 "[ . 1 .]" 1
149 1 30 LYS H 1 30 LYS HB2 2.800 . 3.800 2.434 2.283 2.612 . 0 0 "[ . 1 .]" 1
150 1 30 LYS H 1 30 LYS HA 2.800 . 3.800 2.853 2.796 2.912 . 0 0 "[ . 1 .]" 1
151 1 30 LYS H 1 30 LYS HB3 2.800 . 3.800 3.464 2.398 3.677 . 0 0 "[ . 1 .]" 1
152 1 30 LYS H 1 30 LYS QE 3.350 . 4.900 4.435 3.698 4.937 0.037 11 0 "[ . 1 .]" 1
153 1 30 LYS H 1 30 LYS QG 2.800 . 3.800 3.009 2.324 3.908 0.108 9 0 "[ . 1 .]" 1
154 1 30 LYS QG 1 31 GLU H 3.500 . 5.200 4.369 3.675 4.870 . 0 0 "[ . 1 .]" 1
155 1 30 LYS H 1 31 GLU H 2.585 . 3.370 2.387 2.280 2.599 . 0 0 "[ . 1 .]" 1
156 1 30 LYS H 1 32 PHE H 3.650 . 5.500 3.878 3.582 4.164 . 0 0 "[ . 1 .]" 1
157 1 30 LYS HA 1 32 PHE H 3.005 . 4.210 3.515 3.355 3.702 . 0 0 "[ . 1 .]" 1
158 1 30 LYS H 1 38 GLU H 4.000 . 6.200 6.361 6.254 6.438 0.238 10 0 "[ . 1 .]" 1
159 1 28 ASP H 1 31 GLU H 3.500 . 5.200 4.975 4.302 5.259 0.059 13 0 "[ . 1 .]" 1
160 1 29 ARG H 1 30 LYS H 3.900 . 6.000 1.910 1.747 2.156 0.053 5 0 "[ . 1 .]" 1
161 1 30 LYS QB 1 31 GLU H 2.885 . 3.970 3.019 2.752 3.242 . 0 0 "[ . 1 .]" 1
162 1 30 LYS HB2 1 31 GLU H 2.900 . 4.000 3.297 3.065 4.010 0.010 7 0 "[ . 1 .]" 1
163 1 30 LYS HB3 1 31 GLU H 2.900 . 4.000 3.763 2.804 4.034 0.034 15 0 "[ . 1 .]" 1
164 1 30 LYS HA 1 31 GLU H 2.800 . 3.800 3.391 3.291 3.495 . 0 0 "[ . 1 .]" 1
165 1 31 GLU H 1 31 GLU HG3 2.800 . 3.800 3.168 2.946 3.304 . 0 0 "[ . 1 .]" 1
166 1 31 GLU H 1 31 GLU HA 2.800 . 3.800 2.835 2.767 2.873 . 0 0 "[ . 1 .]" 1
167 1 31 GLU H 1 31 GLU HG2 2.800 . 3.800 1.849 1.724 2.315 0.076 13 0 "[ . 1 .]" 1
168 1 31 GLU H 1 31 GLU HB3 2.800 . 3.800 2.768 2.509 3.608 . 0 0 "[ . 1 .]" 1
169 1 31 GLU H 1 31 GLU QG 2.830 . 3.860 1.834 1.718 2.235 0.082 13 0 "[ . 1 .]" 1
170 1 31 GLU H 1 31 GLU HB2 2.800 . 3.800 3.560 3.112 3.633 . 0 0 "[ . 1 .]" 1
171 1 31 GLU HG3 1 32 PHE QE 2.900 . 4.000 3.454 3.176 3.911 . 0 0 "[ . 1 .]" 1
172 1 31 GLU H 1 32 PHE H 2.900 . 4.000 2.413 2.296 2.597 . 0 0 "[ . 1 .]" 1
173 1 31 GLU H 1 32 PHE QD 3.500 . 5.200 4.306 3.528 4.760 . 0 0 "[ . 1 .]" 1
174 1 31 GLU HG3 1 32 PHE QD 2.900 . 4.000 3.627 3.107 4.114 0.114 13 0 "[ . 1 .]" 1
175 1 31 GLU HG2 1 32 PHE QE 3.500 . 5.200 4.086 3.555 4.632 . 0 0 "[ . 1 .]" 1
176 1 31 GLU HG2 1 32 PHE QD 3.500 . 5.200 4.137 3.588 4.537 . 0 0 "[ . 1 .]" 1
177 1 31 GLU QG 1 32 PHE QE 2.925 . 4.050 3.254 3.041 3.692 . 0 0 "[ . 1 .]" 1
178 1 31 GLU QG 1 32 PHE QD 2.820 . 3.840 3.366 2.990 3.675 . 0 0 "[ . 1 .]" 1
179 1 31 GLU QG 1 32 PHE H 3.030 . 4.260 2.812 2.190 3.186 . 0 0 "[ . 1 .]" 1
180 1 31 GLU QB 1 32 PHE H 2.930 . 4.060 3.540 2.504 3.653 . 0 0 "[ . 1 .]" 1
181 1 31 GLU H 1 32 PHE QE 3.650 . 5.500 4.991 4.466 5.483 . 0 0 "[ . 1 .]" 1
182 1 31 GLU H 1 33 ALA H 3.060 . 4.320 3.935 3.781 4.116 . 0 0 "[ . 1 .]" 1
183 1 31 GLU H 1 34 LYS H 3.500 . 5.200 5.133 4.762 5.301 0.101 5 0 "[ . 1 .]" 1
184 1 31 GLU HA 1 34 LYS H 2.800 . 3.800 3.374 3.107 3.909 0.109 13 0 "[ . 1 .]" 1
185 1 31 GLU HA 1 35 PHE H 2.810 . 3.820 2.759 2.252 3.277 . 0 0 "[ . 1 .]" 1
186 1 31 GLU H 1 37 GLU QG 2.930 . 4.060 3.367 3.061 3.958 . 0 0 "[ . 1 .]" 1
187 1 31 GLU HB3 1 42 ALA H 4.000 . 6.200 4.814 3.338 5.204 . 0 0 "[ . 1 .]" 1
188 1 31 GLU HB3 1 44 TRP HH2 4.000 . 6.200 4.760 4.366 5.111 . 0 0 "[ . 1 .]" 1
189 1 31 GLU HB2 1 44 TRP HH2 4.000 . 6.200 5.461 5.264 5.827 . 0 0 "[ . 1 .]" 1
190 1 29 ARG HA 1 32 PHE H 3.500 . 5.200 3.866 3.382 4.163 . 0 0 "[ . 1 .]" 1
191 1 29 ARG HA 1 32 PHE HB2 3.085 . 4.370 3.756 2.925 4.219 . 0 0 "[ . 1 .]" 1
192 1 29 ARG HA 1 32 PHE HB3 3.600 . 5.400 5.195 4.388 5.540 0.140 5 0 "[ . 1 .]" 1
193 1 30 LYS HA 1 32 PHE HB3 4.000 . 6.200 6.206 6.022 6.300 0.100 9 0 "[ . 1 .]" 1
194 1 30 LYS HA 1 32 PHE HB2 3.500 . 5.200 4.633 4.478 4.775 . 0 0 "[ . 1 .]" 1
195 1 31 GLU HG3 1 32 PHE H 2.900 . 4.000 3.291 2.238 4.090 0.090 13 0 "[ . 1 .]" 1
196 1 31 GLU HB3 1 32 PHE H 2.900 . 4.000 4.109 3.853 4.176 0.176 9 0 "[ . 1 .]" 1
197 1 31 GLU HG2 1 32 PHE H 2.900 . 4.000 3.114 2.807 3.323 . 0 0 "[ . 1 .]" 1
198 1 31 GLU HA 1 32 PHE H 2.800 . 3.800 3.255 3.104 3.446 . 0 0 "[ . 1 .]" 1
199 1 31 GLU HA 1 32 PHE QD 4.000 . 6.200 5.334 5.102 5.602 . 0 0 "[ . 1 .]" 1
200 1 31 GLU HA 1 32 PHE HB2 3.900 . 6.000 5.736 5.607 5.930 . 0 0 "[ . 1 .]" 1
201 1 31 GLU HB2 1 32 PHE H 2.900 . 4.000 3.896 2.537 4.042 0.042 6 0 "[ . 1 .]" 1
202 1 32 PHE HA 1 32 PHE QD 2.510 . 3.220 2.410 2.071 2.986 . 0 0 "[ . 1 .]" 1
203 1 32 PHE H 1 32 PHE HZ 3.700 . 5.600 5.641 5.505 5.688 0.088 11 0 "[ . 1 .]" 1
204 1 32 PHE H 1 32 PHE HB2 2.715 . 3.630 2.634 2.530 2.725 . 0 0 "[ . 1 .]" 1
205 1 32 PHE H 1 32 PHE HA 2.800 . 3.800 2.933 2.864 2.957 . 0 0 "[ . 1 .]" 1
206 1 32 PHE HB2 1 32 PHE QD 2.800 . 3.800 2.255 2.213 2.412 . 0 0 "[ . 1 .]" 1
207 1 32 PHE H 1 32 PHE HB3 2.735 . 3.670 3.670 3.574 3.709 0.039 6 0 "[ . 1 .]" 1
208 1 32 PHE H 1 32 PHE QE 3.325 . 4.850 4.406 3.979 4.551 . 0 0 "[ . 1 .]" 1
209 1 32 PHE HB3 1 32 PHE QD 2.800 . 3.800 2.616 2.380 2.738 . 0 0 "[ . 1 .]" 1
210 1 32 PHE HA 1 32 PHE QE 3.500 . 5.200 4.544 4.391 4.788 . 0 0 "[ . 1 .]" 1
211 1 32 PHE H 1 32 PHE QD 2.765 . 3.730 2.987 2.169 3.272 . 0 0 "[ . 1 .]" 1
212 1 32 PHE H 1 33 ALA MB 3.035 . 4.270 3.920 3.806 4.142 . 0 0 "[ . 1 .]" 1
213 1 32 PHE HB2 1 33 ALA H 2.900 . 4.000 3.558 3.509 3.628 . 0 0 "[ . 1 .]" 1
214 1 32 PHE HB3 1 33 ALA H 3.000 . 4.200 4.270 4.243 4.300 0.100 2 0 "[ . 1 .]" 1
215 1 32 PHE QD 1 34 LYS H 3.900 . 6.000 4.078 3.794 4.260 . 0 0 "[ . 1 .]" 1
216 1 32 PHE HA 1 35 PHE QE 2.685 . 3.570 2.678 2.440 2.939 . 0 0 "[ . 1 .]" 1
217 1 32 PHE HB3 1 35 PHE QE 2.680 . 3.560 3.546 3.216 3.618 0.058 11 0 "[ . 1 .]" 1
218 1 32 PHE HZ 1 47 ALA H 3.580 . 5.360 4.310 3.656 5.432 0.072 15 0 "[ . 1 .]" 1
219 1 32 PHE QE 1 47 ALA H 3.540 . 5.280 3.214 2.114 4.572 . 0 0 "[ . 1 .]" 1
220 1 32 PHE QD 1 48 ASN HD22 3.230 . 4.660 2.992 2.222 3.630 . 0 0 "[ . 1 .]" 1
221 1 32 PHE QD 1 57 SER HB3 3.650 . 5.500 4.200 3.170 5.577 0.077 5 0 "[ . 1 .]" 1
222 1 32 PHE QD 1 57 SER QB 3.290 . 4.780 3.336 2.695 4.516 . 0 0 "[ . 1 .]" 1
223 1 32 PHE QD 1 57 SER HB2 3.650 . 5.500 3.555 2.751 4.772 . 0 0 "[ . 1 .]" 1
224 1 30 LYS HA 1 33 ALA MB 2.800 . 3.800 2.633 2.217 3.176 . 0 0 "[ . 1 .]" 1
225 1 30 LYS HA 1 33 ALA H 2.800 . 3.800 3.464 3.125 3.833 0.033 5 0 "[ . 1 .]" 1
226 1 32 PHE H 1 33 ALA H 2.400 . 3.000 2.416 2.269 2.668 . 0 0 "[ . 1 .]" 1
227 1 32 PHE QD 1 33 ALA H 3.500 . 5.200 4.548 4.267 4.694 . 0 0 "[ . 1 .]" 1
228 1 32 PHE HA 1 33 ALA H 2.900 . 4.000 3.106 3.034 3.148 . 0 0 "[ . 1 .]" 1
229 1 33 ALA H 1 33 ALA HA 2.800 . 3.800 2.936 2.913 2.957 . 0 0 "[ . 1 .]" 1
230 1 33 ALA H 1 33 ALA MB 2.435 . 3.070 2.412 2.364 2.466 . 0 0 "[ . 1 .]" 1
231 1 33 ALA H 1 34 LYS H 2.900 . 4.000 2.242 2.034 2.426 . 0 0 "[ . 1 .]" 1
232 1 33 ALA H 1 34 LYS QB 3.520 . 5.240 4.588 4.353 4.818 . 0 0 "[ . 1 .]" 1
233 1 33 ALA MB 1 34 LYS H 2.500 . 3.200 2.364 2.165 2.734 . 0 0 "[ . 1 .]" 1
234 1 33 ALA H 1 35 PHE QE 3.180 . 4.560 4.579 4.481 4.661 0.101 10 0 "[ . 1 .]" 1
235 1 33 ALA MB 1 36 GLU H 4.000 . 6.200 5.716 5.534 5.915 . 0 0 "[ . 1 .]" 1
236 1 33 ALA H 1 36 GLU H 3.600 . 5.400 5.333 5.225 5.476 0.076 5 0 "[ . 1 .]" 1
237 1 31 GLU HA 1 34 LYS QB 3.500 . 5.200 4.153 3.593 4.927 . 0 0 "[ . 1 .]" 1
238 1 33 ALA HA 1 34 LYS H 2.800 . 3.800 3.548 3.481 3.591 . 0 0 "[ . 1 .]" 1
239 1 34 LYS H 1 34 LYS HD2 2.800 . 3.800 2.817 1.797 3.955 0.155 11 0 "[ . 1 .]" 1
240 1 34 LYS H 1 34 LYS QE 3.100 . 4.400 4.008 2.564 4.474 0.074 11 0 "[ . 1 .]" 1
241 1 34 LYS H 1 34 LYS HD3 2.800 . 3.800 3.005 2.205 3.910 0.110 15 0 "[ . 1 .]" 1
242 1 34 LYS H 1 34 LYS HA 2.800 . 3.800 2.933 2.884 2.966 . 0 0 "[ . 1 .]" 1
243 1 34 LYS H 1 34 LYS HB2 2.800 . 3.800 2.715 2.501 3.798 . 0 0 "[ . 1 .]" 1
244 1 34 LYS H 1 34 LYS HB3 2.800 . 3.800 3.683 3.061 3.847 0.047 5 0 "[ . 1 .]" 1
245 1 34 LYS H 1 34 LYS QD 2.775 . 3.750 2.341 1.786 3.201 0.014 10 0 "[ . 1 .]" 1
246 1 34 LYS H 1 34 LYS QB 2.595 . 3.390 2.609 2.463 2.940 . 0 0 "[ . 1 .]" 1
247 1 34 LYS QB 1 35 PHE QE 4.000 . 6.200 5.564 5.445 5.621 . 0 0 "[ . 1 .]" 1
248 1 34 LYS QB 1 35 PHE QD 3.095 . 4.390 4.323 4.252 4.463 0.073 10 0 "[ . 1 .]" 1
249 1 34 LYS H 1 35 PHE H 2.660 . 3.520 2.052 1.873 2.208 . 0 0 "[ . 1 .]" 1
250 1 34 LYS HA 1 35 PHE QE 2.875 . 3.950 4.030 3.964 4.086 0.136 5 0 "[ . 1 .]" 1
251 1 34 LYS QB 1 35 PHE H 2.845 . 3.890 2.942 2.747 3.587 . 0 0 "[ . 1 .]" 1
252 1 34 LYS QE 1 35 PHE H 3.650 . 5.500 5.261 3.906 5.621 0.121 13 0 "[ . 1 .]" 1
253 1 34 LYS HA 1 35 PHE QD 2.590 . 3.380 3.043 2.910 3.175 . 0 0 "[ . 1 .]" 1
254 1 34 LYS H 1 35 PHE QD 3.100 . 4.400 4.131 3.835 4.337 . 0 0 "[ . 1 .]" 1
255 1 34 LYS H 1 36 GLU H 3.345 . 4.890 3.945 3.722 4.096 . 0 0 "[ . 1 .]" 1
256 1 34 LYS H 1 37 GLU QG 3.500 . 5.200 4.375 3.584 4.876 . 0 0 "[ . 1 .]" 1
257 1 32 PHE HA 1 35 PHE H 3.125 . 4.450 4.156 3.895 4.373 . 0 0 "[ . 1 .]" 1
258 1 32 PHE HA 1 35 PHE HB2 3.700 . 5.600 5.687 5.624 5.755 0.155 4 0 "[ . 1 .]" 1
259 1 32 PHE HA 1 35 PHE HB3 3.500 . 5.200 4.982 4.789 5.159 . 0 0 "[ . 1 .]" 1
260 1 34 LYS HB2 1 35 PHE H 2.900 . 4.000 3.040 2.797 3.959 . 0 0 "[ . 1 .]" 1
261 1 34 LYS HB3 1 35 PHE H 2.900 . 4.000 4.002 3.872 4.102 0.102 10 0 "[ . 1 .]" 1
262 1 34 LYS HA 1 35 PHE H 2.900 . 4.000 3.472 3.408 3.541 . 0 0 "[ . 1 .]" 1
263 1 34 LYS H 1 35 PHE QE 3.270 . 4.740 4.716 4.385 4.797 0.057 6 0 "[ . 1 .]" 1
264 1 34 LYS QD 1 35 PHE H 2.975 . 4.150 3.862 3.120 4.279 0.129 1 0 "[ . 1 .]" 1
265 1 35 PHE H 1 35 PHE HA 2.800 . 3.800 2.235 2.199 2.273 . 0 0 "[ . 1 .]" 1
266 1 35 PHE H 1 35 PHE QD 2.800 . 3.800 3.313 3.161 3.482 . 0 0 "[ . 1 .]" 1
267 1 35 PHE HA 1 35 PHE HB2 2.800 . 3.800 3.030 3.015 3.040 . 0 0 "[ . 1 .]" 1
268 1 35 PHE HA 1 35 PHE HB3 2.800 . 3.800 2.317 2.289 2.354 . 0 0 "[ . 1 .]" 1
269 1 35 PHE H 1 35 PHE HB2 2.800 . 3.800 3.709 3.652 3.747 . 0 0 "[ . 1 .]" 1
270 1 35 PHE H 1 35 PHE HB3 2.800 . 3.800 3.939 3.907 3.959 0.159 1 0 "[ . 1 .]" 1
271 1 35 PHE HA 1 35 PHE QE 4.000 . 6.200 4.774 4.712 4.832 . 0 0 "[ . 1 .]" 1
272 1 35 PHE HB2 1 35 PHE QD 2.800 . 3.800 2.371 2.309 2.432 . 0 0 "[ . 1 .]" 1
273 1 35 PHE HB3 1 35 PHE QD 2.800 . 3.800 2.320 2.286 2.373 . 0 0 "[ . 1 .]" 1
274 1 35 PHE H 1 35 PHE QB 2.630 . 3.460 3.396 3.361 3.423 . 0 0 "[ . 1 .]" 1
275 1 35 PHE H 1 35 PHE QE 3.205 . 4.610 4.522 4.408 4.644 0.034 2 0 "[ . 1 .]" 1
276 1 35 PHE HA 1 35 PHE QD 2.490 . 3.180 3.049 2.892 3.138 . 0 0 "[ . 1 .]" 1
277 1 35 PHE HA 1 36 GLU H 2.900 . 4.000 2.762 2.444 2.998 . 0 0 "[ . 1 .]" 1
278 1 35 PHE QD 1 36 GLU H 3.200 . 4.600 4.606 4.557 4.675 0.075 11 0 "[ . 1 .]" 1
279 1 35 PHE QD 1 36 GLU HG3 3.500 . 5.200 4.517 4.330 4.682 . 0 0 "[ . 1 .]" 1
280 1 35 PHE QE 1 36 GLU H 4.000 . 6.200 6.339 6.293 6.391 0.191 11 0 "[ . 1 .]" 1
281 1 35 PHE QD 1 36 GLU QB 4.000 . 6.200 5.833 5.678 6.041 . 0 0 "[ . 1 .]" 1
282 1 35 PHE QD 1 36 GLU HA 4.000 . 6.200 5.937 5.864 6.029 . 0 0 "[ . 1 .]" 1
283 1 35 PHE HB2 1 36 GLU H 3.200 . 4.600 4.045 3.886 4.190 . 0 0 "[ . 1 .]" 1
284 1 35 PHE QE 1 36 GLU QG 4.000 . 6.200 6.193 6.013 6.278 0.078 3 0 "[ . 1 .]" 1
285 1 35 PHE H 1 36 GLU H 2.900 . 4.000 2.541 2.419 2.639 . 0 0 "[ . 1 .]" 1
286 1 35 PHE QB 1 36 GLU H 2.890 . 3.980 3.720 3.631 3.766 . 0 0 "[ . 1 .]" 1
287 1 35 PHE QD 1 36 GLU QG 3.240 . 4.680 4.332 4.166 4.457 . 0 0 "[ . 1 .]" 1
288 1 35 PHE HB3 1 36 GLU H 3.250 . 4.700 4.352 4.215 4.442 . 0 0 "[ . 1 .]" 1
289 1 35 PHE QD 1 37 GLU QG 4.000 . 6.200 6.090 5.718 6.265 0.065 2 0 "[ . 1 .]" 1
290 1 36 GLU H 1 36 GLU QG 2.800 . 3.800 2.794 2.635 2.957 . 0 0 "[ . 1 .]" 1
291 1 36 GLU H 1 36 GLU HA 2.800 . 3.800 2.963 2.940 2.987 . 0 0 "[ . 1 .]" 1
292 1 36 GLU H 1 36 GLU HG2 2.800 . 3.800 3.851 3.818 3.906 0.106 7 0 "[ . 1 .]" 1
293 1 36 GLU H 1 36 GLU HB3 2.800 . 3.800 3.782 3.702 3.842 0.042 8 0 "[ . 1 .]" 1
294 1 36 GLU H 1 36 GLU HG3 2.800 . 3.800 2.870 2.685 3.072 . 0 0 "[ . 1 .]" 1
295 1 36 GLU H 1 36 GLU HB2 2.800 . 3.800 2.657 2.555 2.772 . 0 0 "[ . 1 .]" 1
296 1 36 GLU H 1 36 GLU QB 2.680 . 3.560 2.607 2.511 2.712 . 0 0 "[ . 1 .]" 1
297 1 36 GLU HB2 1 37 GLU H 2.900 . 4.000 3.216 2.910 3.673 . 0 0 "[ . 1 .]" 1
298 1 36 GLU QB 1 37 GLU H 2.795 . 3.790 3.095 2.839 3.442 . 0 0 "[ . 1 .]" 1
299 1 36 GLU H 1 37 GLU H 2.490 . 3.180 1.895 1.754 2.109 0.046 8 0 "[ . 1 .]" 1
300 1 36 GLU HB3 1 37 GLU H 2.900 . 4.000 4.056 3.953 4.155 0.155 6 0 "[ . 1 .]" 1
301 1 36 GLU QB 1 59 PHE QE 3.245 . 4.690 4.335 3.623 4.620 . 0 0 "[ . 1 .]" 1
302 1 36 GLU H 1 59 PHE QE 3.230 . 4.660 4.674 4.463 4.809 0.149 14 0 "[ . 1 .]" 1
303 1 36 GLU HA 1 59 PHE QE 2.870 . 3.940 3.133 2.483 3.487 . 0 0 "[ . 1 .]" 1
304 1 36 GLU QG 1 59 PHE QE 3.335 . 4.870 4.625 4.010 4.930 0.060 2 0 "[ . 1 .]" 1
305 1 36 GLU QG 1 59 PHE QD 3.450 . 5.100 4.624 3.624 4.958 . 0 0 "[ . 1 .]" 1
306 1 36 GLU HA 1 59 PHE QD 2.865 . 3.930 3.686 2.698 3.974 0.044 12 0 "[ . 1 .]" 1
307 1 36 GLU HA 1 37 GLU H 2.900 . 4.000 3.289 2.967 3.489 . 0 0 "[ . 1 .]" 1
308 1 37 GLU H 1 37 GLU HA 2.800 . 3.800 2.897 2.846 2.940 . 0 0 "[ . 1 .]" 1
309 1 37 GLU H 1 37 GLU HB2 2.800 . 3.800 3.568 2.775 3.675 . 0 0 "[ . 1 .]" 1
310 1 37 GLU H 1 37 GLU HB3 2.800 . 3.800 3.224 3.024 3.741 . 0 0 "[ . 1 .]" 1
311 1 37 GLU H 1 37 GLU QB 2.595 . 3.390 2.971 2.704 3.148 . 0 0 "[ . 1 .]" 1
312 1 37 GLU H 1 37 GLU QG 2.775 . 3.750 2.258 1.754 2.473 0.046 4 0 "[ . 1 .]" 1
313 1 37 GLU QG 1 38 GLU H 2.900 . 4.000 1.891 1.720 3.442 0.080 11 0 "[ . 1 .]" 1
314 1 37 GLU QB 1 38 GLU H 2.595 . 3.390 2.382 1.748 2.567 0.052 6 0 "[ . 1 .]" 1
315 1 37 GLU QG 1 39 ARG H 3.570 . 5.340 4.446 4.137 5.359 0.019 6 0 "[ . 1 .]" 1
316 1 37 GLU QB 1 39 ARG H 3.070 . 4.340 4.016 3.610 4.399 0.059 4 0 "[ . 1 .]" 1
317 1 36 GLU H 1 38 GLU H 3.500 . 5.200 4.819 4.605 5.084 . 0 0 "[ . 1 .]" 1
318 1 37 GLU H 1 38 GLU H 2.800 . 3.800 3.218 2.972 3.370 . 0 0 "[ . 1 .]" 1
319 1 37 GLU HB2 1 38 GLU H 2.800 . 3.800 2.415 1.760 2.614 0.040 6 0 "[ . 1 .]" 1
320 1 37 GLU HB3 1 38 GLU H 2.800 . 3.800 3.647 3.013 3.786 . 0 0 "[ . 1 .]" 1
321 1 37 GLU HA 1 38 GLU H 2.900 . 4.000 3.636 3.551 3.721 . 0 0 "[ . 1 .]" 1
322 1 38 GLU H 1 38 GLU HB2 2.800 . 3.800 3.497 3.302 3.683 . 0 0 "[ . 1 .]" 1
323 1 38 GLU H 1 38 GLU HB3 2.800 . 3.800 3.889 3.840 3.915 0.115 9 0 "[ . 1 .]" 1
324 1 38 GLU H 1 38 GLU HA 2.800 . 3.800 2.180 2.141 2.224 . 0 0 "[ . 1 .]" 1
325 1 38 GLU H 1 38 GLU QG 2.800 . 3.800 2.678 2.433 2.913 . 0 0 "[ . 1 .]" 1
326 1 38 GLU H 1 38 GLU QB 2.620 . 3.440 3.257 3.132 3.368 . 0 0 "[ . 1 .]" 1
327 1 38 GLU HB3 1 39 ARG H 2.900 . 4.000 3.691 3.405 4.013 0.013 14 0 "[ . 1 .]" 1
328 1 38 GLU HB2 1 39 ARG H 2.900 . 4.000 4.197 4.170 4.250 0.250 5 0 "[ . 1 .]" 1
329 1 38 GLU QB 1 39 ARG H 2.800 . 3.800 3.461 3.262 3.665 . 0 0 "[ . 1 .]" 1
330 1 38 GLU H 1 39 ARG H 2.700 . 3.600 3.132 2.990 3.345 . 0 0 "[ . 1 .]" 1
331 1 38 GLU QG 1 39 ARG H 3.200 . 4.600 4.193 4.068 4.421 . 0 0 "[ . 1 .]" 1
332 1 38 GLU HA 1 40 ALA H 3.045 . 4.290 3.508 2.970 3.930 . 0 0 "[ . 1 .]" 1
333 1 38 GLU QB 1 42 ALA H 2.915 . 4.030 3.144 2.660 3.715 . 0 0 "[ . 1 .]" 1
334 1 38 GLU QG 1 43 LYS H 3.500 . 5.200 5.257 5.215 5.320 0.120 15 0 "[ . 1 .]" 1
335 1 38 GLU QB 1 43 LYS H 3.460 . 5.120 5.044 4.653 5.190 0.070 6 0 "[ . 1 .]" 1
336 1 38 GLU HA 1 44 TRP HZ2 3.595 . 5.390 5.455 5.305 5.528 0.138 1 0 "[ . 1 .]" 1
337 1 38 GLU QB 1 44 TRP HH2 3.280 . 4.760 4.720 4.143 4.868 0.108 11 0 "[ . 1 .]" 1
338 1 38 GLU QG 1 44 TRP HH2 3.480 . 5.160 4.974 4.422 5.285 0.125 6 0 "[ . 1 .]" 1
339 1 38 GLU H 1 44 TRP HH2 3.305 . 4.810 4.806 4.488 4.975 0.165 4 0 "[ . 1 .]" 1
340 1 38 GLU HA 1 44 TRP HH2 3.005 . 4.210 3.353 2.918 3.500 . 0 0 "[ . 1 .]" 1
341 1 38 GLU QG 1 59 PHE QE 3.175 . 4.550 2.617 1.964 3.245 . 0 0 "[ . 1 .]" 1
342 1 38 GLU QB 1 59 PHE QD 3.060 . 4.320 4.132 3.771 4.436 0.116 9 0 "[ . 1 .]" 1
343 1 38 GLU QG 1 59 PHE QD 3.145 . 4.490 3.434 2.798 4.346 . 0 0 "[ . 1 .]" 1
344 1 38 GLU H 1 59 PHE QE 3.360 . 4.920 4.514 4.181 4.939 0.019 14 0 "[ . 1 .]" 1
345 1 38 GLU QB 1 59 PHE QE 2.985 . 4.170 2.594 1.931 3.086 . 0 0 "[ . 1 .]" 1
346 1 37 GLU QG 1 39 ARG H 3.900 . 6.000 3.826 3.663 4.101 . 0 0 "[ . 1 .]" 1
347 1 38 GLU HA 1 39 ARG H 2.675 . 3.550 2.031 1.896 2.337 . 0 0 "[ . 1 .]" 1
348 1 39 ARG H 1 39 ARG HA 2.800 . 3.800 2.888 2.803 2.931 . 0 0 "[ . 1 .]" 1
349 1 39 ARG H 1 39 ARG HD2 2.800 . 3.800 3.320 3.052 4.085 0.285 14 0 "[ . 1 .]" 1
350 1 39 ARG H 1 39 ARG HG2 2.800 . 3.800 2.356 2.112 3.336 . 0 0 "[ . 1 .]" 1
351 1 39 ARG H 1 39 ARG HD3 2.800 . 3.800 3.850 3.063 3.995 0.195 11 0 "[ . 1 .]" 1
352 1 39 ARG H 1 39 ARG HG3 2.800 . 3.800 3.503 1.964 3.836 0.036 13 0 "[ . 1 .]" 1
353 1 39 ARG H 1 39 ARG QD 2.800 . 3.800 3.072 2.959 3.481 . 0 0 "[ . 1 .]" 1
354 1 39 ARG H 1 39 ARG QG 2.495 . 3.190 2.163 1.951 2.301 . 0 0 "[ . 1 .]" 1
355 1 39 ARG H 1 39 ARG HB3 2.760 . 3.720 3.679 3.580 3.726 0.006 13 0 "[ . 1 .]" 1
356 1 39 ARG H 1 39 ARG HB2 2.760 . 3.720 2.649 2.540 2.732 . 0 0 "[ . 1 .]" 1
357 1 39 ARG QG 1 40 ALA H 3.100 . 4.400 3.767 3.550 3.927 . 0 0 "[ . 1 .]" 1
358 1 39 ARG HB2 1 40 ALA H 2.900 . 4.000 2.390 2.018 2.741 . 0 0 "[ . 1 .]" 1
359 1 39 ARG H 1 40 ALA H 2.830 . 3.860 2.583 2.400 2.917 . 0 0 "[ . 1 .]" 1
360 1 39 ARG HB3 1 40 ALA H 2.900 . 4.000 3.575 3.234 3.889 . 0 0 "[ . 1 .]" 1
361 1 39 ARG QD 1 40 ALA H 3.450 . 5.100 4.501 4.093 4.624 . 0 0 "[ . 1 .]" 1
362 1 39 ARG HA 1 44 TRP HZ2 3.560 . 5.320 5.225 4.548 5.407 0.087 10 0 "[ . 1 .]" 1
363 1 39 ARG H 1 44 TRP HH2 3.000 . 4.200 2.575 2.198 2.791 . 0 0 "[ . 1 .]" 1
364 1 39 ARG QG 1 44 TRP HH2 3.040 . 4.280 3.343 2.749 3.748 . 0 0 "[ . 1 .]" 1
365 1 39 ARG QB 1 44 TRP HZ2 3.560 . 5.320 2.408 1.794 2.681 0.006 6 0 "[ . 1 .]" 1
366 1 39 ARG QB 1 44 TRP HE1 3.570 . 5.340 4.813 4.172 4.994 . 0 0 "[ . 1 .]" 1
367 1 39 ARG HA 1 40 ALA H 2.900 . 4.000 3.509 3.452 3.553 . 0 0 "[ . 1 .]" 1
368 1 40 ALA H 1 40 ALA MB 2.650 . 3.500 2.411 2.302 2.638 . 0 0 "[ . 1 .]" 1
369 1 40 ALA H 1 40 ALA HA 2.800 . 3.800 2.920 2.898 2.933 . 0 0 "[ . 1 .]" 1
370 1 40 ALA HA 1 41 ARG H 2.675 . 3.550 3.186 3.027 3.392 . 0 0 "[ . 1 .]" 1
371 1 40 ALA MB 1 43 LYS H 2.900 . 4.000 3.214 2.841 4.030 0.030 1 0 "[ . 1 .]" 1
372 1 40 ALA H 1 44 TRP HE1 3.500 . 5.200 5.124 4.832 5.260 0.060 7 0 "[ . 1 .]" 1
373 1 40 ALA MB 1 44 TRP HD1 3.235 . 4.670 4.521 4.317 4.719 0.049 5 0 "[ . 1 .]" 1
374 1 40 ALA MB 1 44 TRP HE3 3.270 . 4.740 4.618 4.516 4.768 0.028 4 0 "[ . 1 .]" 1
375 1 40 ALA MB 1 44 TRP HZ2 3.340 . 4.880 2.542 2.342 2.693 . 0 0 "[ . 1 .]" 1
376 1 40 ALA H 1 44 TRP HH2 3.020 . 4.240 2.377 1.892 2.614 . 0 0 "[ . 1 .]" 1
377 1 40 ALA HA 1 44 TRP HZ2 3.380 . 4.960 4.702 4.497 4.925 . 0 0 "[ . 1 .]" 1
378 1 40 ALA MB 1 44 TRP HE1 3.275 . 4.750 3.123 2.865 3.334 . 0 0 "[ . 1 .]" 1
379 1 40 ALA H 1 41 ARG H 2.500 . 3.200 2.154 1.889 2.430 . 0 0 "[ . 1 .]" 1
380 1 40 ALA MB 1 41 ARG H 2.845 . 3.890 3.395 3.219 3.536 . 0 0 "[ . 1 .]" 1
381 1 41 ARG H 1 41 ARG HB2 2.800 . 3.800 3.471 3.096 3.752 . 0 0 "[ . 1 .]" 1
382 1 41 ARG H 1 41 ARG HB3 2.800 . 3.800 3.820 3.528 3.951 0.151 6 0 "[ . 1 .]" 1
383 1 41 ARG H 1 41 ARG HA 2.800 . 3.800 2.207 2.155 2.295 . 0 0 "[ . 1 .]" 1
384 1 41 ARG H 1 41 ARG QB 2.675 . 3.550 3.218 2.912 3.393 . 0 0 "[ . 1 .]" 1
385 1 41 ARG HB2 1 42 ALA H 3.500 . 5.200 4.514 4.346 4.648 . 0 0 "[ . 1 .]" 1
386 1 41 ARG H 1 42 ALA H 2.500 . 3.200 2.954 2.680 3.241 0.041 5 0 "[ . 1 .]" 1
387 1 41 ARG HB3 1 42 ALA H 2.900 . 4.000 4.097 3.943 4.204 0.204 3 0 "[ . 1 .]" 1
388 1 41 ARG QB 1 42 ALA H 2.925 . 4.050 3.803 3.706 3.909 . 0 0 "[ . 1 .]" 1
389 1 41 ARG HA 1 42 ALA H 2.590 . 3.380 2.388 2.202 2.661 . 0 0 "[ . 1 .]" 1
390 1 38 GLU QG 1 42 ALA H 3.130 . 4.460 2.808 2.416 3.131 . 0 0 "[ . 1 .]" 1
391 1 42 ALA H 1 42 ALA HA 2.800 . 3.800 2.292 2.220 2.342 . 0 0 "[ . 1 .]" 1
392 1 42 ALA H 1 42 ALA MB 2.690 . 3.580 2.849 2.783 2.959 . 0 0 "[ . 1 .]" 1
393 1 40 ALA HA 1 44 TRP HE3 3.900 . 6.000 3.246 2.959 3.676 . 0 0 "[ . 1 .]" 1
394 1 42 ALA H 1 44 TRP HH2 3.500 . 5.200 3.910 3.461 4.240 . 0 0 "[ . 1 .]" 1
395 1 42 ALA HA 1 44 TRP HE3 3.200 . 4.600 3.249 2.961 3.684 . 0 0 "[ . 1 .]" 1
396 1 42 ALA H 1 45 ASP H 4.000 . 6.200 5.264 4.488 5.707 . 0 0 "[ . 1 .]" 1
397 1 42 ALA HA 1 45 ASP H 3.080 . 4.360 3.437 2.731 3.935 . 0 0 "[ . 1 .]" 1
398 1 42 ALA MB 1 43 LYS H 2.730 . 3.660 3.304 2.335 3.548 . 0 0 "[ . 1 .]" 1
399 1 42 ALA HA 1 43 LYS H 2.900 . 4.000 2.923 2.760 3.416 . 0 0 "[ . 1 .]" 1
400 1 42 ALA H 1 43 LYS H 2.545 . 3.290 2.715 2.505 3.252 . 0 0 "[ . 1 .]" 1
401 1 43 LYS H 1 43 LYS HA 2.800 . 3.800 2.755 2.418 2.890 . 0 0 "[ . 1 .]" 1
402 1 43 LYS H 1 43 LYS QE 4.000 . 6.200 5.959 5.628 6.232 0.032 15 0 "[ . 1 .]" 1
403 1 43 LYS H 1 43 LYS HD2 3.500 . 5.200 4.688 3.905 5.209 0.009 15 0 "[ . 1 .]" 1
404 1 43 LYS H 1 43 LYS HB3 2.800 . 3.800 2.783 2.636 3.554 . 0 0 "[ . 1 .]" 1
405 1 43 LYS H 1 43 LYS HD3 3.500 . 5.200 4.815 4.288 5.288 0.088 8 0 "[ . 1 .]" 1
406 1 43 LYS H 1 43 LYS HB2 2.800 . 3.800 2.529 2.444 2.693 . 0 0 "[ . 1 .]" 1
407 1 43 LYS H 1 43 LYS QB 2.620 . 3.440 2.337 2.271 2.617 . 0 0 "[ . 1 .]" 1
408 1 43 LYS HB2 1 44 TRP HZ2 3.900 . 6.000 5.404 5.098 5.564 . 0 0 "[ . 1 .]" 1
409 1 43 LYS H 1 44 TRP HE3 3.260 . 4.720 3.998 3.417 4.853 0.133 8 0 "[ . 1 .]" 1
410 1 43 LYS HB3 1 44 TRP HH2 3.500 . 5.200 5.134 4.950 5.248 0.048 9 0 "[ . 1 .]" 1
411 1 43 LYS HB3 1 44 TRP HE3 3.000 . 4.200 4.229 3.944 4.336 0.136 9 0 "[ . 1 .]" 1
412 1 43 LYS QB 1 44 TRP H 2.685 . 3.570 2.104 1.772 2.317 0.028 1 0 "[ . 1 .]" 1
413 1 43 LYS HA 1 44 TRP HE3 3.605 . 5.410 5.465 5.419 5.530 0.120 4 0 "[ . 1 .]" 1
414 1 43 LYS QE 1 44 TRP H 3.650 . 5.500 5.391 4.994 5.598 0.098 10 0 "[ . 1 .]" 1
415 1 43 LYS QB 1 44 TRP HH2 3.550 . 5.300 4.797 4.546 4.916 . 0 0 "[ . 1 .]" 1
416 1 43 LYS QB 1 44 TRP HE1 3.570 . 5.340 3.926 3.742 3.975 . 0 0 "[ . 1 .]" 1
417 1 43 LYS QB 1 44 TRP HE3 3.330 . 4.860 4.096 3.816 4.203 . 0 0 "[ . 1 .]" 1
418 1 43 LYS H 1 45 ASP H 3.395 . 4.990 4.215 3.803 4.862 . 0 0 "[ . 1 .]" 1
419 1 43 LYS H 1 57 SER H 3.635 . 5.470 5.587 5.486 5.679 0.209 7 0 "[ . 1 .]" 1
420 1 22 LEU QB 1 44 TRP HE1 4.000 . 6.200 3.829 3.452 4.136 . 0 0 "[ . 1 .]" 1
421 1 23 LEU MD2 1 44 TRP HZ2 4.000 . 6.200 6.079 5.642 6.237 0.037 7 0 "[ . 1 .]" 1
422 1 26 ILE HG13 1 44 TRP HH2 4.000 . 6.200 6.347 6.279 6.417 0.217 8 0 "[ . 1 .]" 1
423 1 37 GLU QG 1 44 TRP HH2 4.000 . 6.200 5.575 5.238 6.338 0.138 6 0 "[ . 1 .]" 1
424 1 40 ALA HA 1 44 TRP HZ2 3.900 . 6.000 4.582 4.391 4.802 . 0 0 "[ . 1 .]" 1
425 1 40 ALA MB 1 44 TRP H 2.855 . 3.910 3.582 3.483 3.707 . 0 0 "[ . 1 .]" 1
426 1 40 ALA HA 1 44 TRP HE1 3.900 . 6.000 5.761 5.484 6.000 . 0 0 "[ . 1 .]" 1
427 1 42 ALA HA 1 44 TRP HH2 4.000 . 6.200 4.895 3.881 5.612 . 0 0 "[ . 1 .]" 1
428 1 42 ALA HA 1 44 TRP H 4.000 . 6.200 4.126 3.705 4.604 . 0 0 "[ . 1 .]" 1
429 1 42 ALA MB 1 44 TRP HH2 4.000 . 6.200 5.846 5.107 6.237 0.037 3 0 "[ . 1 .]" 1
430 1 43 LYS HB2 1 44 TRP H 2.900 . 4.000 3.563 3.249 3.689 . 0 0 "[ . 1 .]" 1
431 1 43 LYS HB3 1 44 TRP H 2.900 . 4.000 2.119 1.780 2.342 0.020 1 0 "[ . 1 .]" 1
432 1 43 LYS H 1 44 TRP H 2.800 . 3.800 3.078 2.612 3.895 0.095 1 0 "[ . 1 .]" 1
433 1 43 LYS HA 1 44 TRP H 2.900 . 4.000 3.501 3.432 3.536 . 0 0 "[ . 1 .]" 1
434 1 43 LYS HB3 1 44 TRP HE1 2.900 . 4.000 4.029 3.842 4.076 0.076 15 0 "[ . 1 .]" 1
435 1 44 TRP HB3 1 44 TRP HD1 2.780 . 3.760 2.568 2.523 2.635 . 0 0 "[ . 1 .]" 1
436 1 44 TRP HA 1 44 TRP HE3 3.200 . 4.600 4.443 4.349 4.529 . 0 0 "[ . 1 .]" 1
437 1 44 TRP HB3 1 44 TRP HE1 3.500 . 5.200 4.774 4.748 4.806 . 0 0 "[ . 1 .]" 1
438 1 44 TRP H 1 44 TRP HE1 3.200 . 4.600 4.456 4.369 4.546 . 0 0 "[ . 1 .]" 1
439 1 44 TRP HB2 1 44 TRP HE3 2.800 . 3.800 2.589 2.489 2.750 . 0 0 "[ . 1 .]" 1
440 1 44 TRP H 1 44 TRP HD1 2.800 . 3.800 3.826 3.750 3.885 0.085 5 0 "[ . 1 .]" 1
441 1 44 TRP H 1 44 TRP HB2 2.800 . 3.800 2.987 2.843 3.088 . 0 0 "[ . 1 .]" 1
442 1 44 TRP H 1 44 TRP HB3 2.800 . 3.800 3.443 3.423 3.483 . 0 0 "[ . 1 .]" 1
443 1 44 TRP H 1 44 TRP HA 2.800 . 3.800 2.828 2.801 2.844 . 0 0 "[ . 1 .]" 1
444 1 44 TRP HB2 1 44 TRP HE1 3.500 . 5.200 5.186 5.163 5.215 0.015 9 0 "[ . 1 .]" 1
445 1 44 TRP QB 1 44 TRP HE1 3.185 . 4.570 4.411 4.388 4.438 . 0 0 "[ . 1 .]" 1
446 1 44 TRP HB2 1 44 TRP HD1 2.780 . 3.760 3.707 3.674 3.763 0.003 1 0 "[ . 1 .]" 1
447 1 44 TRP QB 1 44 TRP HE3 2.705 . 3.610 2.561 2.465 2.714 . 0 0 "[ . 1 .]" 1
448 1 44 TRP H 1 44 TRP HE3 2.800 . 3.800 2.505 2.403 2.663 . 0 0 "[ . 1 .]" 1
449 1 44 TRP HB3 1 44 TRP HE3 3.005 . 4.210 4.064 3.997 4.170 . 0 0 "[ . 1 .]" 1
450 1 44 TRP HH2 1 45 ASP H 3.900 . 6.000 6.044 5.899 6.120 0.120 5 0 "[ . 1 .]" 1
451 1 44 TRP HB3 1 45 ASP H 2.900 . 4.000 3.861 3.600 4.026 0.026 13 0 "[ . 1 .]" 1
452 1 44 TRP HA 1 45 ASP H 2.800 . 3.800 3.513 3.418 3.588 . 0 0 "[ . 1 .]" 1
453 1 44 TRP HB2 1 45 ASP H 2.900 . 4.000 2.495 2.108 2.800 . 0 0 "[ . 1 .]" 1
454 1 44 TRP H 1 45 ASP H 2.900 . 4.000 2.520 2.328 2.743 . 0 0 "[ . 1 .]" 1
455 1 44 TRP HE3 1 45 ASP QB 3.180 . 4.560 4.551 4.348 4.690 0.130 14 0 "[ . 1 .]" 1
456 1 44 TRP HD1 1 45 ASP H 3.615 . 5.430 5.462 5.296 5.535 0.105 8 0 "[ . 1 .]" 1
457 1 44 TRP HE3 1 46 THR H 3.425 . 5.050 3.834 3.042 4.649 . 0 0 "[ . 1 .]" 1
458 1 44 TRP HE3 1 46 THR MG 3.650 . 5.500 5.208 4.302 5.610 0.110 14 0 "[ . 1 .]" 1
459 1 44 TRP HE3 1 45 ASP H 2.900 . 4.000 1.931 1.770 2.052 0.030 2 0 "[ . 1 .]" 1
460 1 45 ASP H 1 45 ASP HA 2.800 . 3.800 2.313 2.257 2.379 . 0 0 "[ . 1 .]" 1
461 1 45 ASP H 1 45 ASP HB2 2.800 . 3.800 3.072 2.916 3.245 . 0 0 "[ . 1 .]" 1
462 1 45 ASP H 1 45 ASP HB3 2.800 . 3.800 3.688 3.524 3.932 0.132 8 0 "[ . 1 .]" 1
463 1 45 ASP H 1 45 ASP QB 2.705 . 3.610 2.923 2.842 3.048 . 0 0 "[ . 1 .]" 1
464 1 45 ASP H 1 46 THR H 2.900 . 4.000 3.133 2.614 3.785 . 0 0 "[ . 1 .]" 1
465 1 45 ASP QB 1 46 THR H 2.900 . 4.000 3.798 3.718 3.914 . 0 0 "[ . 1 .]" 1
466 1 45 ASP H 1 48 ASN HD21 3.610 . 5.420 5.184 4.704 5.463 0.043 14 0 "[ . 1 .]" 1
467 1 45 ASP QB 1 48 ASN HD21 2.905 . 4.010 3.418 3.023 3.571 . 0 0 "[ . 1 .]" 1
468 1 45 ASP QB 1 48 ASN HD22 3.095 . 4.390 4.429 4.093 4.573 0.183 12 0 "[ . 1 .]" 1
469 1 45 ASP QB 1 48 ASN H 3.100 . 4.400 4.206 3.733 4.455 0.055 9 0 "[ . 1 .]" 1
470 1 45 ASP HA 1 48 ASN HD21 3.275 . 4.750 2.944 2.434 3.235 . 0 0 "[ . 1 .]" 1
471 1 45 ASP HA 1 48 ASN HD22 2.620 . 3.440 3.402 3.055 3.599 0.159 14 0 "[ . 1 .]" 1
472 1 45 ASP QB 1 49 ASN HD22 3.165 . 4.530 3.065 2.496 3.917 . 0 0 "[ . 1 .]" 1
473 1 45 ASP QB 1 49 ASN HD21 3.130 . 4.460 3.662 2.957 4.416 . 0 0 "[ . 1 .]" 1
474 1 45 ASP QB 1 49 ASN H 2.870 . 3.940 3.486 2.811 3.791 . 0 0 "[ . 1 .]" 1
475 1 45 ASP H 1 51 LEU HA 4.000 . 6.200 5.952 5.260 6.306 0.106 4 0 "[ . 1 .]" 1
476 1 45 ASP HA 1 46 THR H 2.900 . 4.000 2.479 2.014 2.983 . 0 0 "[ . 1 .]" 1
477 1 45 ASP HB2 1 46 THR H 3.180 . 4.560 4.403 4.188 4.550 . 0 0 "[ . 1 .]" 1
478 1 45 ASP HB3 1 46 THR H 3.000 . 4.200 4.158 3.988 4.268 0.068 4 0 "[ . 1 .]" 1
479 1 46 THR H 1 46 THR HA 2.800 . 3.800 2.824 2.689 2.923 . 0 0 "[ . 1 .]" 1
480 1 46 THR H 1 46 THR HB 2.800 . 3.800 2.914 2.477 3.578 . 0 0 "[ . 1 .]" 1
481 1 46 THR H 1 46 THR MG 2.830 . 3.860 3.129 2.120 3.861 0.001 14 0 "[ . 1 .]" 1
482 1 46 THR MG 1 47 ALA H 2.945 . 4.090 3.785 2.391 4.217 0.127 2 0 "[ . 1 .]" 1
483 1 46 THR H 1 47 ALA H 2.900 . 4.000 2.587 1.886 2.923 . 0 0 "[ . 1 .]" 1
484 1 46 THR H 1 48 ASN HD22 3.500 . 5.200 4.508 2.389 5.265 0.065 13 0 "[ . 1 .]" 1
485 1 46 THR HB 1 47 ALA H 2.900 . 4.000 3.554 2.836 4.161 0.161 7 0 "[ . 1 .]" 1
486 1 47 ALA H 1 47 ALA HA 2.800 . 3.800 2.902 2.852 2.953 . 0 0 "[ . 1 .]" 1
487 1 47 ALA H 1 47 ALA MB 2.525 . 3.250 2.476 2.249 2.812 . 0 0 "[ . 1 .]" 1
488 1 47 ALA H 1 48 ASN H 2.590 . 3.380 2.273 1.770 2.665 0.030 2 0 "[ . 1 .]" 1
489 1 47 ALA MB 1 48 ASN HD21 3.080 . 4.360 3.541 2.895 4.441 0.081 15 0 "[ . 1 .]" 1
490 1 47 ALA MB 1 48 ASN HD22 2.965 . 4.130 3.125 2.325 4.205 0.075 15 0 "[ . 1 .]" 1
491 1 47 ALA HA 1 48 ASN HD21 3.425 . 5.050 4.952 4.553 5.185 0.135 4 0 "[ . 1 .]" 1
492 1 29 ARG HA 1 48 ASN HD21 4.000 . 6.200 6.277 5.992 6.397 0.197 9 0 "[ . 1 .]" 1
493 1 45 ASP HB3 1 48 ASN HD22 3.500 . 5.200 5.172 4.655 5.397 0.197 2 0 "[ . 1 .]" 1
494 1 47 ALA HA 1 48 ASN H 2.900 . 4.000 3.278 2.828 3.511 . 0 0 "[ . 1 .]" 1
495 1 47 ALA MB 1 48 ASN H 2.645 . 3.490 3.249 2.929 3.553 0.063 11 0 "[ . 1 .]" 1
496 1 48 ASN HB2 1 48 ASN HD21 2.800 . 3.800 2.166 2.080 2.296 . 0 0 "[ . 1 .]" 1
497 1 48 ASN HA 1 48 ASN HD21 2.800 . 3.800 3.865 3.830 3.893 0.093 12 0 "[ . 1 .]" 1
498 1 48 ASN H 1 48 ASN HA 2.800 . 3.800 2.918 2.893 2.931 . 0 0 "[ . 1 .]" 1
499 1 48 ASN HB3 1 48 ASN HD21 2.800 . 3.800 3.380 3.314 3.489 . 0 0 "[ . 1 .]" 1
500 1 48 ASN H 1 48 ASN HB2 2.800 . 3.800 2.748 2.604 2.913 . 0 0 "[ . 1 .]" 1
501 1 48 ASN HB3 1 48 ASN HD22 2.900 . 4.000 4.064 4.034 4.098 0.098 15 0 "[ . 1 .]" 1
502 1 48 ASN H 1 48 ASN HD21 2.800 . 3.800 2.253 1.934 2.521 . 0 0 "[ . 1 .]" 1
503 1 48 ASN H 1 48 ASN HB3 2.800 . 3.800 3.747 3.630 3.830 0.030 6 0 "[ . 1 .]" 1
504 1 48 ASN H 1 48 ASN HD22 2.800 . 3.800 3.524 3.188 3.835 0.035 10 0 "[ . 1 .]" 1
505 1 48 ASN HB2 1 48 ASN HD22 2.800 . 3.800 3.457 3.426 3.493 . 0 0 "[ . 1 .]" 1
506 1 48 ASN H 1 49 ASN HD22 3.900 . 6.000 5.894 5.343 6.099 0.099 3 0 "[ . 1 .]" 1
507 1 48 ASN H 1 49 ASN H 2.500 . 3.200 2.334 2.042 2.691 . 0 0 "[ . 1 .]" 1
508 1 48 ASN HB3 1 49 ASN H 2.900 . 4.000 3.409 3.125 3.761 . 0 0 "[ . 1 .]" 1
509 1 48 ASN HB2 1 49 ASN H 2.865 . 3.930 2.060 1.786 2.419 0.014 2 0 "[ . 1 .]" 1
510 1 48 ASN HB2 1 49 ASN HD22 3.650 . 5.500 4.505 4.102 5.117 . 0 0 "[ . 1 .]" 1
511 1 48 ASN HB2 1 49 ASN HD21 3.650 . 5.500 4.860 4.179 5.546 0.046 15 0 "[ . 1 .]" 1
512 1 45 ASP HB2 1 49 ASN HD22 3.500 . 5.200 3.896 3.188 4.594 . 0 0 "[ . 1 .]" 1
513 1 48 ASN HA 1 49 ASN H 2.900 . 4.000 3.561 3.534 3.595 . 0 0 "[ . 1 .]" 1
514 1 48 ASN HD21 1 49 ASN H 2.900 . 4.000 3.086 2.816 3.403 . 0 0 "[ . 1 .]" 1
515 1 49 ASN HB2 1 49 ASN HD22 2.800 . 3.800 3.546 3.373 3.733 . 0 0 "[ . 1 .]" 1
516 1 49 ASN H 1 49 ASN HB2 2.800 . 3.800 3.831 3.752 3.878 0.078 11 0 "[ . 1 .]" 1
517 1 49 ASN H 1 49 ASN HD22 3.200 . 4.600 3.877 3.538 4.283 . 0 0 "[ . 1 .]" 1
518 1 49 ASN H 1 49 ASN HB3 2.800 . 3.800 3.353 3.201 3.533 . 0 0 "[ . 1 .]" 1
519 1 49 ASN HB3 1 49 ASN HD22 3.000 . 4.200 4.036 3.973 4.100 . 0 0 "[ . 1 .]" 1
520 1 49 ASN H 1 49 ASN HD21 3.000 . 4.200 3.573 2.837 4.209 0.009 8 0 "[ . 1 .]" 1
521 1 49 ASN H 1 49 ASN HA 2.800 . 3.800 2.894 2.825 2.923 . 0 0 "[ . 1 .]" 1
522 1 49 ASN HB2 1 49 ASN HD21 2.800 . 3.800 2.439 2.083 2.832 . 0 0 "[ . 1 .]" 1
523 1 49 ASN HB3 1 49 ASN HD21 2.800 . 3.800 3.483 3.332 3.580 . 0 0 "[ . 1 .]" 1
524 1 49 ASN HD22 1 50 PRO HD2 3.625 . 5.450 4.100 3.976 4.197 . 0 0 "[ . 1 .]" 1
525 1 49 ASN HD21 1 50 PRO QG 3.535 . 5.270 3.351 3.216 3.532 . 0 0 "[ . 1 .]" 1
526 1 49 ASN HD21 1 50 PRO HD2 3.465 . 5.130 2.639 2.384 2.981 . 0 0 "[ . 1 .]" 1
527 1 49 ASN HD21 1 51 LEU MD2 4.000 . 6.200 4.699 4.225 5.270 . 0 0 "[ . 1 .]" 1
528 1 49 ASN HD21 1 51 LEU H 3.215 . 4.630 2.322 1.971 2.809 . 0 0 "[ . 1 .]" 1
529 1 49 ASN HD21 1 51 LEU QB 3.245 . 4.690 4.538 3.786 4.739 0.049 2 0 "[ . 1 .]" 1
530 1 49 ASN HD21 1 51 LEU HG 3.500 . 5.200 3.844 3.406 4.293 . 0 0 "[ . 1 .]" 1
531 1 49 ASN HD22 1 51 LEU MD2 3.650 . 5.500 5.469 5.165 5.594 0.094 9 0 "[ . 1 .]" 1
532 1 49 ASN HD22 1 51 LEU QB 3.310 . 4.820 4.719 4.024 4.869 0.049 1 0 "[ . 1 .]" 1
533 1 49 ASN HD22 1 51 LEU HA 3.245 . 4.690 4.284 3.808 4.693 0.003 1 0 "[ . 1 .]" 1
534 1 49 ASN HD22 1 51 LEU MD1 3.650 . 5.500 4.965 4.431 5.592 0.092 8 0 "[ . 1 .]" 1
535 1 49 ASN HD22 1 51 LEU HG 3.440 . 5.080 4.473 3.958 5.215 0.135 8 0 "[ . 1 .]" 1
536 1 49 ASN HD22 1 51 LEU H 3.365 . 4.930 3.489 3.150 3.899 . 0 0 "[ . 1 .]" 1
537 1 49 ASN HD21 1 51 LEU MD1 3.470 . 5.140 4.902 4.619 5.185 0.045 15 0 "[ . 1 .]" 1
538 1 49 ASN HD21 1 52 PTR HB2 3.370 . 4.940 5.071 4.962 5.148 0.208 9 0 "[ . 1 .]" 1
539 1 49 ASN HD21 1 53 LYS QD 4.000 . 6.200 3.958 3.033 4.755 . 0 0 "[ . 1 .]" 1
540 1 49 ASN HB3 1 53 LYS H 4.000 . 6.200 4.770 4.023 6.294 0.094 8 0 "[ . 1 .]" 1
541 1 49 ASN HD22 1 56 THR MG 3.365 . 4.930 4.841 4.295 5.048 0.118 5 0 "[ . 1 .]" 1
542 1 49 ASN HD22 1 50 PRO HD3 3.700 . 5.600 5.612 5.481 5.674 0.074 3 0 "[ . 1 .]" 1
543 1 49 ASN HD21 1 50 PRO HD3 3.500 . 5.200 4.047 3.933 4.149 . 0 0 "[ . 1 .]" 1
544 1 49 ASN HD21 1 50 PRO HG3 3.200 . 4.600 4.724 4.613 4.840 0.240 4 0 "[ . 1 .]" 1
545 1 50 PRO HD2 1 50 PRO HG2 2.800 . 3.800 2.271 2.248 2.296 . 0 0 "[ . 1 .]" 1
546 1 50 PRO HD3 1 50 PRO HG2 2.800 . 3.800 2.972 2.955 2.984 . 0 0 "[ . 1 .]" 1
547 1 50 PRO HA 1 50 PRO HD3 2.800 . 3.800 3.546 3.366 3.685 . 0 0 "[ . 1 .]" 1
548 1 50 PRO HD2 1 51 LEU H 2.900 . 4.000 2.877 2.542 3.222 . 0 0 "[ . 1 .]" 1
549 1 50 PRO HG3 1 51 LEU H 2.900 . 4.000 3.508 3.360 3.720 . 0 0 "[ . 1 .]" 1
550 1 50 PRO HG2 1 51 LEU H 2.905 . 4.010 1.895 1.773 2.155 0.027 2 0 "[ . 1 .]" 1
551 1 50 PRO HD3 1 51 LEU H 2.900 . 4.000 3.910 3.726 4.065 0.065 9 0 "[ . 1 .]" 1
552 1 50 PRO QG 1 51 LEU H 2.540 . 3.280 1.887 1.766 2.142 0.034 2 0 "[ . 1 .]" 1
553 1 50 PRO QB 1 52 PTR H 3.415 . 5.030 4.899 4.586 5.065 0.035 13 0 "[ . 1 .]" 1
554 1 50 PRO HD2 1 52 PTR H 3.545 . 5.290 4.610 4.473 4.684 . 0 0 "[ . 1 .]" 1
555 1 50 PRO QG 1 52 PTR H 3.270 . 4.740 3.692 3.428 3.882 . 0 0 "[ . 1 .]" 1
556 1 50 PRO QB 1 51 LEU H 2.850 . 3.900 2.736 2.435 3.082 . 0 0 "[ . 1 .]" 1
557 1 50 PRO HA 1 51 LEU H 2.800 . 3.800 3.527 3.495 3.575 . 0 0 "[ . 1 .]" 1
558 1 51 LEU H 1 51 LEU HB2 2.800 . 3.800 3.662 2.914 3.817 0.017 9 0 "[ . 1 .]" 1
559 1 51 LEU H 1 51 LEU HB3 2.800 . 3.800 3.407 3.137 3.806 0.006 8 0 "[ . 1 .]" 1
560 1 51 LEU H 1 51 LEU HA 2.800 . 3.800 2.921 2.881 2.974 . 0 0 "[ . 1 .]" 1
561 1 51 LEU H 1 51 LEU MD2 2.620 . 3.440 2.743 2.062 3.408 . 0 0 "[ . 1 .]" 1
562 1 51 LEU H 1 51 LEU HG 2.490 . 3.180 2.191 1.952 2.417 . 0 0 "[ . 1 .]" 1
563 1 51 LEU H 1 51 LEU MD1 2.855 . 3.910 3.792 3.637 3.950 0.040 3 0 "[ . 1 .]" 1
564 1 51 LEU H 1 51 LEU QB 2.730 . 3.660 3.113 2.826 3.261 . 0 0 "[ . 1 .]" 1
565 1 51 LEU MD2 1 52 PTR H 3.065 . 4.330 3.475 3.356 4.294 . 0 0 "[ . 1 .]" 1
566 1 51 LEU QB 1 52 PTR H 2.900 . 4.000 2.482 1.733 2.994 0.067 8 0 "[ . 1 .]" 1
567 1 51 LEU MD1 1 52 PTR H 3.185 . 4.570 2.177 1.833 3.422 . 0 0 "[ . 1 .]" 1
568 1 51 LEU H 1 52 PTR H 2.840 . 3.880 2.709 2.464 2.887 . 0 0 "[ . 1 .]" 1
569 1 51 LEU H 1 53 LYS QE 3.650 . 5.500 5.221 3.925 5.617 0.117 10 0 "[ . 1 .]" 1
570 1 51 LEU MD2 1 53 LYS H 3.470 . 5.140 5.114 3.989 5.260 0.120 7 0 "[ . 1 .]" 1
571 1 51 LEU MD1 1 53 LYS H 3.270 . 4.740 4.004 3.486 4.184 . 0 0 "[ . 1 .]" 1
572 1 51 LEU MD1 1 54 GLU H 3.650 . 5.500 5.504 4.984 5.573 0.073 12 0 "[ . 1 .]" 1
573 1 50 PRO HD3 1 52 PTR H 3.900 . 6.000 6.122 6.036 6.175 0.175 10 0 "[ . 1 .]" 1
574 1 50 PRO HG3 1 52 PTR H 4.000 . 6.200 5.473 5.190 5.691 . 0 0 "[ . 1 .]" 1
575 1 50 PRO HG2 1 52 PTR H 3.500 . 5.200 3.753 3.478 3.951 . 0 0 "[ . 1 .]" 1
576 1 51 LEU HG 1 52 PTR H 2.990 . 4.180 1.839 1.694 3.481 0.106 2 0 "[ . 1 .]" 1
577 1 51 LEU HA 1 52 PTR H 2.900 . 4.000 3.532 3.471 3.614 . 0 0 "[ . 1 .]" 1
578 1 52 PTR H 1 52 PTR HA 2.800 . 3.800 2.676 2.606 2.811 . 0 0 "[ . 1 .]" 1
579 1 52 PTR H 1 52 PTR HB3 2.970 . 4.140 3.669 3.568 3.765 . 0 0 "[ . 1 .]" 1
580 1 52 PTR H 1 52 PTR HB2 2.900 . 4.000 4.059 4.002 4.117 0.117 13 0 "[ . 1 .]" 1
581 1 52 PTR H 1 53 LYS H 2.885 . 3.970 2.846 1.681 3.210 0.119 8 0 "[ . 1 .]" 1
582 1 52 PTR HB3 1 53 LYS H 3.130 . 4.460 4.457 4.324 4.523 0.063 8 0 "[ . 1 .]" 1
583 1 52 PTR H 1 53 LYS HA 3.270 . 4.740 4.272 3.971 4.491 . 0 0 "[ . 1 .]" 1
584 1 52 PTR HB2 1 54 GLU H 3.650 . 5.500 4.251 3.269 5.128 . 0 0 "[ . 1 .]" 1
585 1 52 PTR HA 1 54 GLU H 2.820 . 3.840 3.267 2.910 3.610 . 0 0 "[ . 1 .]" 1
586 1 52 PTR HB2 1 56 THR H 3.650 . 5.500 4.361 3.446 5.136 . 0 0 "[ . 1 .]" 1
587 1 49 ASN HD21 1 53 LYS QE 4.000 . 6.200 5.115 3.939 6.302 0.102 1 0 "[ . 1 .]" 1
588 1 51 LEU H 1 53 LYS H 3.500 . 5.200 4.191 3.439 4.692 . 0 0 "[ . 1 .]" 1
589 1 52 PTR HA 1 53 LYS H 2.900 . 4.000 2.274 2.063 3.242 . 0 0 "[ . 1 .]" 1
590 1 53 LYS H 1 53 LYS HA 2.800 . 3.800 2.894 2.790 2.948 . 0 0 "[ . 1 .]" 1
591 1 53 LYS H 1 53 LYS HB3 2.800 . 3.800 2.935 2.508 3.537 . 0 0 "[ . 1 .]" 1
592 1 53 LYS H 1 53 LYS QD 2.590 . 3.380 2.499 1.748 3.416 0.052 13 0 "[ . 1 .]" 1
593 1 53 LYS H 1 53 LYS HD2 2.800 . 3.800 3.192 2.234 4.051 0.251 14 0 "[ . 1 .]" 1
594 1 53 LYS H 1 53 LYS HD3 2.800 . 3.800 2.794 1.770 3.934 0.134 4 0 "[ . 1 .]" 1
595 1 53 LYS H 1 53 LYS HB2 2.800 . 3.800 3.699 3.429 3.878 0.078 15 0 "[ . 1 .]" 1
596 1 53 LYS H 1 53 LYS QB 2.800 . 3.800 2.813 2.466 3.259 . 0 0 "[ . 1 .]" 1
597 1 53 LYS H 1 53 LYS QE 3.425 . 5.050 4.133 3.649 4.909 . 0 0 "[ . 1 .]" 1
598 1 53 LYS H 1 53 LYS QG 2.465 . 3.130 2.510 1.691 3.255 0.125 8 0 "[ . 1 .]" 1
599 1 53 LYS QB 1 54 GLU H 2.900 . 4.000 3.713 3.492 3.994 . 0 0 "[ . 1 .]" 1
600 1 53 LYS H 1 54 GLU H 2.900 . 4.000 2.165 1.751 2.673 0.049 15 0 "[ . 1 .]" 1
601 1 53 LYS QE 1 54 GLU H 3.650 . 5.500 4.527 3.345 5.511 0.011 4 0 "[ . 1 .]" 1
602 1 53 LYS HA 1 54 GLU H 2.800 . 3.800 3.349 3.044 3.495 . 0 0 "[ . 1 .]" 1
603 1 53 LYS QD 1 54 GLU H 3.180 . 4.560 3.270 2.123 4.577 0.017 10 0 "[ . 1 .]" 1
604 1 54 GLU H 1 54 GLU HA 2.800 . 3.800 2.902 2.865 2.931 . 0 0 "[ . 1 .]" 1
605 1 54 GLU H 1 54 GLU HG2 2.800 . 3.800 3.044 2.110 3.867 0.067 3 0 "[ . 1 .]" 1
606 1 54 GLU H 1 54 GLU HB2 2.800 . 3.800 3.014 2.404 3.902 0.102 7 0 "[ . 1 .]" 1
607 1 54 GLU H 1 54 GLU HG3 2.800 . 3.800 3.196 2.564 3.861 0.061 13 0 "[ . 1 .]" 1
608 1 54 GLU H 1 54 GLU QB 2.555 . 3.310 2.694 2.370 3.280 . 0 0 "[ . 1 .]" 1
609 1 54 GLU H 1 54 GLU QG 2.800 . 3.800 2.559 2.072 2.808 . 0 0 "[ . 1 .]" 1
610 1 54 GLU H 1 54 GLU HB3 2.800 . 3.800 3.482 2.773 3.751 . 0 0 "[ . 1 .]" 1
611 1 54 GLU HB3 1 55 ALA H 2.900 . 4.000 3.467 2.918 4.094 0.094 8 0 "[ . 1 .]" 1
612 1 54 GLU H 1 55 ALA MB 3.650 . 5.500 4.557 4.018 4.934 . 0 0 "[ . 1 .]" 1
613 1 54 GLU HB2 1 55 ALA H 2.900 . 4.000 2.718 1.912 3.915 . 0 0 "[ . 1 .]" 1
614 1 54 GLU H 1 55 ALA H 2.755 . 3.710 2.420 1.959 2.864 . 0 0 "[ . 1 .]" 1
615 1 54 GLU QB 1 55 ALA H 2.875 . 3.950 2.592 1.894 3.539 . 0 0 "[ . 1 .]" 1
616 1 53 LYS QG 1 55 ALA H 3.555 . 5.310 4.886 4.305 5.345 0.035 5 0 "[ . 1 .]" 1
617 1 54 GLU QG 1 55 ALA H 3.095 . 4.390 3.166 1.913 4.038 . 0 0 "[ . 1 .]" 1
618 1 54 GLU HA 1 55 ALA H 2.900 . 4.000 3.576 3.482 3.648 . 0 0 "[ . 1 .]" 1
619 1 55 ALA H 1 55 ALA HA 2.800 . 3.800 2.844 2.784 2.926 . 0 0 "[ . 1 .]" 1
620 1 55 ALA H 1 55 ALA MB 2.665 . 3.530 2.692 2.326 2.806 . 0 0 "[ . 1 .]" 1
621 1 55 ALA H 1 56 THR H 2.900 . 4.000 3.888 2.533 4.134 0.134 3 0 "[ . 1 .]" 1
622 1 55 ALA HA 1 56 THR H 2.425 . 3.050 2.291 2.081 3.071 0.021 4 0 "[ . 1 .]" 1
623 1 55 ALA MB 1 56 THR H 2.900 . 4.000 2.923 1.849 3.544 . 0 0 "[ . 1 .]" 1
624 1 56 THR H 1 56 THR HA 2.800 . 3.800 2.883 2.776 2.953 . 0 0 "[ . 1 .]" 1
625 1 56 THR H 1 56 THR MG 2.935 . 4.070 3.335 1.997 4.016 . 0 0 "[ . 1 .]" 1
626 1 56 THR H 1 56 THR HB 2.490 . 3.180 3.012 2.566 3.341 0.161 14 0 "[ . 1 .]" 1
627 1 56 THR HB 1 57 SER H 2.735 . 3.670 3.242 2.006 3.747 0.077 1 0 "[ . 1 .]" 1
628 1 56 THR MG 1 57 SER H 3.055 . 4.310 2.582 1.995 3.603 . 0 0 "[ . 1 .]" 1
629 1 56 THR HA 1 57 SER H 2.900 . 4.000 2.451 2.267 2.707 . 0 0 "[ . 1 .]" 1
630 1 57 SER H 1 57 SER HB3 2.800 . 3.800 3.504 2.593 3.858 0.058 4 0 "[ . 1 .]" 1
631 1 57 SER H 1 57 SER HB2 2.800 . 3.800 2.693 2.513 3.139 . 0 0 "[ . 1 .]" 1
632 1 57 SER H 1 57 SER HA 2.800 . 3.800 2.921 2.896 2.963 . 0 0 "[ . 1 .]" 1
633 1 57 SER HB3 1 58 THR H 2.900 . 4.000 3.200 2.493 4.028 0.028 12 0 "[ . 1 .]" 1
634 1 57 SER HB2 1 58 THR H 2.900 . 4.000 3.938 3.607 4.159 0.159 6 0 "[ . 1 .]" 1
635 1 57 SER HA 1 58 THR H 2.900 . 4.000 2.210 2.034 2.501 . 0 0 "[ . 1 .]" 1
636 1 58 THR H 1 58 THR HA 2.800 . 3.800 2.824 2.731 2.904 . 0 0 "[ . 1 .]" 1
637 1 58 THR H 1 58 THR HB 2.800 . 3.800 3.651 2.958 3.817 0.017 4 0 "[ . 1 .]" 1
638 1 58 THR H 1 58 THR MG 3.210 . 4.620 3.332 2.729 4.002 . 0 0 "[ . 1 .]" 1
639 1 58 THR HA 1 59 PHE QD 3.050 . 4.300 3.283 2.470 4.050 . 0 0 "[ . 1 .]" 1
640 1 58 THR HA 1 59 PHE QE 3.410 . 5.020 4.726 3.865 5.062 0.042 13 0 "[ . 1 .]" 1
641 1 58 THR HA 1 59 PHE H 2.680 . 3.560 2.148 2.002 2.519 . 0 0 "[ . 1 .]" 1
642 1 57 SER HB2 1 59 PHE QD 4.000 . 6.200 6.123 5.298 6.288 0.088 12 0 "[ . 1 .]" 1
643 1 57 SER HB3 1 59 PHE QD 4.000 . 6.200 5.669 4.983 6.098 . 0 0 "[ . 1 .]" 1
644 1 58 THR H 1 59 PHE H 2.900 . 4.000 4.029 3.783 4.142 0.142 8 0 "[ . 1 .]" 1
645 1 58 THR HB 1 59 PHE H 3.500 . 5.200 3.291 2.276 4.168 . 0 0 "[ . 1 .]" 1
646 1 58 THR MG 1 59 PHE QD 4.000 . 6.200 4.747 3.248 5.367 . 0 0 "[ . 1 .]" 1
647 1 58 THR HB 1 59 PHE QE 4.000 . 6.200 6.298 6.211 6.406 0.206 14 0 "[ . 1 .]" 1
648 1 58 THR HB 1 59 PHE QD 4.000 . 6.200 5.093 4.750 5.402 . 0 0 "[ . 1 .]" 1
649 1 59 PHE H 1 59 PHE HA 2.800 . 3.800 2.938 2.886 2.973 . 0 0 "[ . 1 .]" 1
650 1 59 PHE H 1 59 PHE HB2 2.800 . 3.800 3.769 3.632 3.930 0.130 8 0 "[ . 1 .]" 1
651 1 59 PHE HB3 1 59 PHE QD 2.800 . 3.800 2.485 2.265 2.641 . 0 0 "[ . 1 .]" 1
652 1 59 PHE HB2 1 59 PHE QD 2.800 . 3.800 2.318 2.241 2.545 . 0 0 "[ . 1 .]" 1
653 1 59 PHE H 1 59 PHE HB3 2.800 . 3.800 2.993 2.653 3.338 . 0 0 "[ . 1 .]" 1
654 1 59 PHE H 1 59 PHE QE 3.460 . 5.120 3.915 3.529 4.344 . 0 0 "[ . 1 .]" 1
655 1 59 PHE H 1 59 PHE QD 2.800 . 3.800 2.212 1.773 3.016 0.027 14 0 "[ . 1 .]" 1
656 1 59 PHE QD 1 60 THR HA 2.940 . 4.080 3.492 2.558 3.916 . 0 0 "[ . 1 .]" 1
657 1 59 PHE HB2 1 60 THR H 2.900 . 4.000 3.879 3.289 4.074 0.074 4 0 "[ . 1 .]" 1
658 1 59 PHE HB3 1 60 THR HA 3.700 . 5.600 5.578 5.496 5.668 0.068 5 0 "[ . 1 .]" 1
659 1 59 PHE H 1 60 THR H 2.900 . 4.000 2.057 1.765 2.618 0.035 8 0 "[ . 1 .]" 1
660 1 59 PHE QE 1 60 THR MG 3.080 . 4.360 3.406 2.609 4.429 0.069 2 0 "[ . 1 .]" 1
661 1 59 PHE H 1 60 THR MG 2.910 . 4.020 3.387 3.004 3.999 . 0 0 "[ . 1 .]" 1
662 1 59 PHE HB3 1 60 THR H 2.900 . 4.000 4.010 3.809 4.094 0.094 2 0 "[ . 1 .]" 1
663 1 59 PHE QE 1 60 THR HA 3.270 . 4.740 4.181 3.669 4.718 . 0 0 "[ . 1 .]" 1
664 1 59 PHE QD 1 60 THR MG 2.965 . 4.130 3.604 3.047 4.186 0.056 5 0 "[ . 1 .]" 1
665 1 59 PHE HB2 1 60 THR HA 3.215 . 4.630 4.558 4.305 4.672 0.042 13 0 "[ . 1 .]" 1
666 1 59 PHE H 1 61 ASN HD22 3.500 . 5.200 4.780 4.147 5.279 0.079 13 0 "[ . 1 .]" 1
667 1 59 PHE QD 1 61 ASN H 3.650 . 5.500 4.908 2.761 5.512 0.012 11 0 "[ . 1 .]" 1
668 1 59 PHE H 1 62 ILE QG 4.000 . 6.200 6.044 4.756 6.382 0.182 6 0 "[ . 1 .]" 1
669 1 59 PHE HA 1 60 THR H 2.900 . 4.000 3.435 3.256 3.562 . 0 0 "[ . 1 .]" 1
670 1 60 THR H 1 60 THR HA 2.800 . 3.800 2.753 2.124 2.857 . 0 0 "[ . 1 .]" 1
671 1 60 THR H 1 60 THR HB 2.800 . 3.800 3.259 2.545 3.907 0.107 5 0 "[ . 1 .]" 1
672 1 60 THR H 1 60 THR MG 2.925 . 4.050 2.204 1.975 2.663 . 0 0 "[ . 1 .]" 1
673 1 60 THR H 1 61 ASN H 2.900 . 4.000 2.710 2.398 3.435 . 0 0 "[ . 1 .]" 1
674 1 60 THR MG 1 61 ASN QD 3.135 . 4.470 4.159 1.785 4.671 0.201 10 0 "[ . 1 .]" 1
675 1 60 THR MG 1 61 ASN H 3.065 . 4.330 3.490 2.206 4.197 . 0 0 "[ . 1 .]" 1
676 1 60 THR HA 1 61 ASN H 2.900 . 4.000 3.332 2.131 3.550 . 0 0 "[ . 1 .]" 1
677 1 60 THR HB 1 61 ASN H 2.900 . 4.000 3.849 3.390 4.135 0.135 2 0 "[ . 1 .]" 1
678 1 60 THR MG 1 61 ASN HD21 4.000 . 6.200 4.427 1.803 5.081 . 0 0 "[ . 1 .]" 1
679 1 61 ASN HB3 1 61 ASN HD21 2.800 . 3.800 2.447 2.080 3.350 . 0 0 "[ . 1 .]" 1
680 1 61 ASN H 1 61 ASN HB3 2.800 . 3.800 2.966 2.568 3.647 . 0 0 "[ . 1 .]" 1
681 1 61 ASN H 1 61 ASN HA 2.500 . 3.200 2.866 2.775 2.939 . 0 0 "[ . 1 .]" 1
682 1 61 ASN HA 1 61 ASN HD22 3.500 . 5.200 4.949 4.866 5.019 . 0 0 "[ . 1 .]" 1
683 1 61 ASN HA 1 61 ASN HD21 2.800 . 3.800 3.805 3.542 3.914 0.114 9 0 "[ . 1 .]" 1
684 1 61 ASN H 1 61 ASN HB2 2.800 . 3.800 3.717 3.578 3.899 0.099 5 0 "[ . 1 .]" 1
685 1 61 ASN HB2 1 61 ASN HD22 2.800 . 3.800 3.853 3.367 3.947 0.147 10 0 "[ . 1 .]" 1
686 1 61 ASN HB3 1 61 ASN HD22 2.800 . 3.800 3.535 3.387 3.936 0.136 9 0 "[ . 1 .]" 1
687 1 61 ASN HB2 1 61 ASN HD21 2.800 . 3.800 3.228 2.038 3.528 . 0 0 "[ . 1 .]" 1
688 1 61 ASN H 1 61 ASN QB 2.750 . 3.700 2.844 2.519 3.348 . 0 0 "[ . 1 .]" 1
689 1 61 ASN HA 1 61 ASN QD 2.910 . 4.020 3.687 3.462 3.783 . 0 0 "[ . 1 .]" 1
690 1 61 ASN H 1 62 ILE QG 3.245 . 4.690 4.124 3.302 4.703 0.013 9 0 "[ . 1 .]" 1
691 1 61 ASN QB 1 62 ILE H 2.910 . 4.020 3.154 2.310 3.668 . 0 0 "[ . 1 .]" 1
692 1 61 ASN H 1 62 ILE H 3.095 . 4.390 3.043 1.955 4.396 0.006 8 0 "[ . 1 .]" 1
693 1 61 ASN HB2 1 62 ILE H 2.900 . 4.000 3.369 2.333 4.121 0.121 6 0 "[ . 1 .]" 1
694 1 61 ASN HA 1 62 ILE H 2.500 . 3.200 2.979 2.104 3.399 0.199 10 0 "[ . 1 .]" 1
695 1 61 ASN HB3 1 62 ILE H 2.900 . 4.000 3.966 3.697 4.150 0.150 4 0 "[ . 1 .]" 1
696 1 62 ILE H 1 62 ILE QG 2.800 . 3.800 2.303 1.823 2.910 . 0 0 "[ . 1 .]" 1
697 1 62 ILE H 1 62 ILE HB 2.800 . 3.800 3.291 2.535 3.857 0.057 3 0 "[ . 1 .]" 1
698 1 62 ILE H 1 62 ILE HA 2.800 . 3.800 2.849 2.289 2.975 . 0 0 "[ . 1 .]" 1
699 1 62 ILE H 1 62 ILE HG12 2.800 . 3.800 2.988 2.009 3.986 0.186 8 0 "[ . 1 .]" 1
700 1 62 ILE H 1 62 ILE HG13 2.800 . 3.800 2.991 1.830 4.003 0.203 4 0 "[ . 1 .]" 1
701 1 62 ILE H 1 62 ILE MD 2.905 . 4.010 3.046 1.782 3.940 0.018 13 0 "[ . 1 .]" 1
702 1 62 ILE H 1 63 THR H 2.430 . 3.060 2.148 1.854 2.757 . 0 0 "[ . 1 .]" 1
703 1 62 ILE QG 1 63 THR H 3.055 . 4.310 3.653 2.784 4.376 0.066 13 0 "[ . 1 .]" 1
704 1 62 ILE MD 1 63 THR H 3.170 . 4.540 3.868 2.035 4.700 0.160 14 0 "[ . 1 .]" 1
705 1 62 ILE HB 1 64 TYR QE 3.650 . 5.500 4.174 3.217 5.457 . 0 0 "[ . 1 .]" 1
706 1 62 ILE QG 1 64 TYR QE 3.650 . 5.500 4.537 3.580 5.323 . 0 0 "[ . 1 .]" 1
707 1 62 ILE HB 1 64 TYR QD 3.490 . 5.180 4.953 4.183 5.292 0.112 11 0 "[ . 1 .]" 1
708 1 62 ILE MD 1 64 TYR QE 3.315 . 4.830 4.306 2.259 5.039 0.209 3 0 "[ . 1 .]" 1
709 1 62 ILE HA 1 64 TYR QD 2.705 . 3.610 2.759 2.255 3.687 0.077 5 0 "[ . 1 .]" 1
710 1 62 ILE HA 1 64 TYR QE 3.335 . 4.870 2.250 1.725 4.115 0.075 14 0 "[ . 1 .]" 1
711 1 61 ASN HD22 1 63 THR H 3.500 . 5.200 4.908 2.256 5.441 0.241 11 0 "[ . 1 .]" 1
712 1 62 ILE HB 1 63 THR H 2.900 . 4.000 3.682 2.352 4.084 0.084 5 0 "[ . 1 .]" 1
713 1 62 ILE HA 1 63 THR H 2.675 . 3.550 3.237 2.883 3.514 . 0 0 "[ . 1 .]" 1
714 1 63 THR H 1 63 THR HA 2.800 . 3.800 2.903 2.851 2.936 . 0 0 "[ . 1 .]" 1
715 1 63 THR H 1 63 THR HB 2.780 . 3.760 2.880 2.515 3.580 . 0 0 "[ . 1 .]" 1
716 1 63 THR H 1 63 THR MG 3.115 . 4.430 3.548 2.689 3.903 . 0 0 "[ . 1 .]" 1
717 1 63 THR HA 1 64 TYR QE 3.505 . 5.210 5.005 4.500 5.303 0.093 14 0 "[ . 1 .]" 1
718 1 63 THR MG 1 64 TYR H 3.120 . 4.440 3.837 3.267 4.315 . 0 0 "[ . 1 .]" 1
719 1 63 THR HB 1 64 TYR H 2.900 . 4.000 4.105 4.009 4.175 0.175 2 0 "[ . 1 .]" 1
720 1 63 THR HA 1 64 TYR H 2.550 . 3.300 2.410 1.989 3.196 . 0 0 "[ . 1 .]" 1
721 1 63 THR HA 1 66 GLY H 3.330 . 4.860 4.531 3.422 4.949 0.089 8 0 "[ . 1 .]" 1
722 1 63 THR H 1 64 TYR H 2.705 . 3.610 3.351 2.367 3.727 0.117 7 0 "[ . 1 .]" 1
723 1 63 THR HA 1 64 TYR QD 3.240 . 4.680 4.233 3.474 4.733 0.053 11 0 "[ . 1 .]" 1
724 1 64 TYR H 1 64 TYR HB2 2.800 . 3.800 3.658 3.428 3.969 0.169 7 0 "[ . 1 .]" 1
725 1 64 TYR H 1 64 TYR HA 2.800 . 3.800 2.867 2.717 2.949 . 0 0 "[ . 1 .]" 1
726 1 64 TYR H 1 64 TYR HB3 2.800 . 3.800 3.232 2.654 3.579 . 0 0 "[ . 1 .]" 1
727 1 64 TYR HA 1 64 TYR QD 2.785 . 3.770 3.684 3.586 3.766 . 0 0 "[ . 1 .]" 1
728 1 64 TYR HA 1 64 TYR QE 4.000 . 6.200 5.603 5.432 5.719 . 0 0 "[ . 1 .]" 1
729 1 64 TYR QB 1 64 TYR QD 2.800 . 3.800 2.182 2.136 2.225 . 0 0 "[ . 1 .]" 1
730 1 64 TYR H 1 64 TYR QD 2.800 . 3.800 2.573 1.790 2.948 0.010 8 0 "[ . 1 .]" 1
731 1 64 TYR H 1 64 TYR QE 3.525 . 5.250 3.912 3.649 4.152 . 0 0 "[ . 1 .]" 1
732 1 64 TYR H 1 64 TYR QB 2.680 . 3.560 3.014 2.595 3.261 . 0 0 "[ . 1 .]" 1
733 1 63 THR HA 1 64 TYR QE 4.000 . 6.200 4.753 4.410 4.965 . 0 0 "[ . 1 .]" 1
734 1 64 TYR QE 1 65 ARG HG2 4.000 . 6.200 3.816 2.711 4.784 . 0 0 "[ . 1 .]" 1
735 1 64 TYR QD 1 65 ARG H 2.900 . 4.000 2.055 1.708 2.861 0.092 5 0 "[ . 1 .]" 1
736 1 64 TYR HB3 1 65 ARG H 2.800 . 3.800 3.763 3.455 3.884 0.084 4 0 "[ . 1 .]" 1
737 1 64 TYR QD 1 65 ARG HG2 4.000 . 6.200 2.285 1.773 4.328 0.027 2 0 "[ . 1 .]" 1
738 1 64 TYR QE 1 65 ARG QG 3.305 . 4.810 3.387 2.670 4.454 . 0 0 "[ . 1 .]" 1
739 1 64 TYR QD 1 65 ARG QB 3.175 . 4.550 3.231 2.528 3.988 . 0 0 "[ . 1 .]" 1
740 1 64 TYR QD 1 65 ARG QG 2.805 . 3.810 2.056 1.760 3.232 0.040 12 0 "[ . 1 .]" 1
741 1 64 TYR QE 1 65 ARG H 3.500 . 5.200 3.686 3.444 3.973 . 0 0 "[ . 1 .]" 1
742 1 64 TYR QB 1 65 ARG H 2.850 . 3.900 2.715 1.968 3.290 . 0 0 "[ . 1 .]" 1
743 1 64 TYR QE 1 65 ARG QB 3.650 . 5.500 4.394 3.315 5.602 0.102 1 0 "[ . 1 .]" 1
744 1 64 TYR QE 1 66 GLY HA2 4.000 . 6.200 4.760 4.342 4.894 . 0 0 "[ . 1 .]" 1
745 1 64 TYR QE 1 66 GLY HA3 4.000 . 6.200 5.845 5.526 6.050 . 0 0 "[ . 1 .]" 1
746 1 64 TYR QE 1 66 GLY QA 3.175 . 4.550 4.560 4.192 4.664 0.114 15 0 "[ . 1 .]" 1
747 1 64 TYR QD 1 67 THR H 3.215 . 4.630 4.017 2.883 4.661 0.031 4 0 "[ . 1 .]" 1
748 1 64 TYR QE 1 67 THR MG 3.225 . 4.650 3.171 1.772 4.409 0.028 2 0 "[ . 1 .]" 1
749 1 64 TYR QD 1 67 THR MG 3.075 . 4.350 4.263 3.477 4.525 0.175 14 0 "[ . 1 .]" 1
750 1 64 TYR HA 1 65 ARG H 2.800 . 3.800 3.517 3.454 3.574 . 0 0 "[ . 1 .]" 1
751 1 64 TYR H 1 65 ARG H 2.800 . 3.800 2.770 1.952 3.440 . 0 0 "[ . 1 .]" 1
752 1 65 ARG H 1 65 ARG HB2 2.800 . 3.800 3.302 2.641 3.921 0.121 4 0 "[ . 1 .]" 1
753 1 65 ARG H 1 65 ARG HB3 2.800 . 3.800 3.385 2.700 3.803 0.003 12 0 "[ . 1 .]" 1
754 1 65 ARG H 1 65 ARG HA 2.800 . 3.800 2.933 2.902 2.954 . 0 0 "[ . 1 .]" 1
755 1 65 ARG HA 1 65 ARG QD 2.800 . 3.800 3.214 2.182 4.032 0.232 9 0 "[ . 1 .]" 1
756 1 65 ARG H 1 65 ARG HG3 2.800 . 3.800 3.421 2.169 3.915 0.115 10 0 "[ . 1 .]" 1
757 1 65 ARG H 1 65 ARG QD 2.800 . 3.800 3.549 2.027 3.924 0.124 14 0 "[ . 1 .]" 1
758 1 65 ARG H 1 65 ARG QB 2.800 . 3.800 2.810 2.585 3.134 . 0 0 "[ . 1 .]" 1
759 1 65 ARG H 1 65 ARG QG 2.760 . 3.720 2.355 1.913 2.536 . 0 0 "[ . 1 .]" 1
760 1 65 ARG H 1 65 ARG HG2 2.800 . 3.800 2.676 1.925 3.839 0.039 4 0 "[ . 1 .]" 1
761 1 65 ARG HG2 1 66 GLY H 2.900 . 4.000 3.400 2.160 4.136 0.136 13 0 "[ . 1 .]" 1
762 1 65 ARG HG3 1 66 GLY H 2.900 . 4.000 3.569 2.357 4.165 0.165 12 0 "[ . 1 .]" 1
763 1 65 ARG HB3 1 66 GLY H 2.900 . 4.000 3.735 3.184 4.111 0.111 5 0 "[ . 1 .]" 1
764 1 65 ARG QG 1 66 GLY H 3.275 . 4.750 2.904 2.149 3.476 . 0 0 "[ . 1 .]" 1
765 1 65 ARG QB 1 66 GLY H 3.440 . 5.080 2.851 1.830 3.725 . 0 0 "[ . 1 .]" 1
766 1 65 ARG H 1 66 GLY H 2.900 . 4.000 1.978 1.741 2.359 0.059 13 0 "[ . 1 .]" 1
767 1 65 ARG H 1 67 THR H 3.400 . 5.000 4.019 3.303 4.514 . 0 0 "[ . 1 .]" 1
768 1 65 ARG HG2 1 67 THR H 3.500 . 5.200 4.719 3.184 5.254 0.054 7 0 "[ . 1 .]" 1
769 1 65 ARG QG 1 67 THR H 3.285 . 4.770 4.030 3.142 4.758 . 0 0 "[ . 1 .]" 1
770 1 65 ARG HA 1 66 GLY H 2.900 . 4.000 3.442 3.156 3.545 . 0 0 "[ . 1 .]" 1
771 1 66 GLY H 1 66 GLY HA3 2.800 . 3.800 2.927 2.888 2.967 . 0 0 "[ . 1 .]" 1
772 1 66 GLY H 1 66 GLY HA2 2.800 . 3.800 2.388 2.257 2.604 . 0 0 "[ . 1 .]" 1
773 1 66 GLY H 1 67 THR HA 3.650 . 5.500 4.609 3.997 5.077 . 0 0 "[ . 1 .]" 1
774 1 66 GLY H 1 67 THR H 2.325 . 2.850 2.410 1.974 2.892 0.042 2 0 "[ . 1 .]" 1
775 1 66 GLY HA2 1 67 THR H 2.900 . 4.000 2.496 2.224 2.850 . 0 0 "[ . 1 .]" 1
776 1 66 GLY HA3 1 67 THR H 2.900 . 4.000 3.520 3.473 3.567 . 0 0 "[ . 1 .]" 1
777 1 67 THR H 1 67 THR MG 2.985 . 4.170 3.162 1.977 3.830 . 0 0 "[ . 1 .]" 1
778 1 67 THR H 1 67 THR HA 2.800 . 3.800 2.885 2.767 2.916 . 0 0 "[ . 1 .]" 1
779 1 67 THR H 1 67 THR HB 2.800 . 3.800 3.052 2.484 3.693 . 0 0 "[ . 1 .]" 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 2
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 3.168
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0235
_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 43 LYS 0.211 0.069 10 0 "[ . 1 .]"
1 52 PTR 0.211 0.069 10 0 "[ . 1 .]"
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 43 LYS NZ 1 52 PTR O1P 3.000 2.500 3.500 3.115 2.557 3.528 0.028 14 0 "[ . 1 .]" 2
2 1 43 LYS NZ 1 52 PTR O3P 3.000 2.500 3.500 3.044 2.503 3.569 0.069 10 0 "[ . 1 .]" 2
stop_
save_
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