NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521090 |
2ljd   |
17930 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ljd
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 633
_Distance_constraint_stats_list.Viol_count 1227
_Distance_constraint_stats_list.Viol_total 1038.430
_Distance_constraint_stats_list.Viol_max 0.490
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0564
_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 6.427 0.490 13 0 "[ . 1 .]"
1 22 LEU 3.407 0.136 11 0 "[ . 1 .]"
1 23 LEU 2.132 0.398 15 0 "[ . 1 .]"
1 24 ILE 1.762 0.100 14 0 "[ . 1 .]"
1 25 THR 5.498 0.136 11 0 "[ . 1 .]"
1 26 ILE 3.473 0.111 6 0 "[ . 1 .]"
1 27 HIS 2.533 0.111 6 0 "[ . 1 .]"
1 28 ASP 2.496 0.129 13 0 "[ . 1 .]"
1 29 ARG 2.496 0.112 8 0 "[ . 1 .]"
1 30 LYS 1.432 0.128 6 0 "[ . 1 .]"
1 31 GLU 0.882 0.132 3 0 "[ . 1 .]"
1 32 PHE 2.421 0.132 3 0 "[ . 1 .]"
1 33 ALA 3.457 0.212 13 0 "[ . 1 .]"
1 34 LYS 5.439 0.212 13 0 "[ . 1 .]"
1 35 PHE 5.869 0.182 6 0 "[ . 1 .]"
1 36 GLU 2.644 0.182 6 0 "[ . 1 .]"
1 37 GLU 2.425 0.148 2 0 "[ . 1 .]"
1 38 GLU 1.870 0.125 15 0 "[ . 1 .]"
1 39 ARG 0.956 0.110 2 0 "[ . 1 .]"
1 40 ALA 1.232 0.074 6 0 "[ . 1 .]"
1 41 ARG 1.851 0.117 5 0 "[ . 1 .]"
1 42 ALA 4.086 0.208 7 0 "[ . 1 .]"
1 43 LYS 5.707 0.284 6 0 "[ . 1 .]"
1 44 TRP 7.428 0.284 6 0 "[ . 1 .]"
1 45 ASP 3.418 0.128 12 0 "[ . 1 .]"
1 46 THR 0.818 0.109 13 0 "[ . 1 .]"
1 47 ALA 0.950 0.117 5 0 "[ . 1 .]"
1 48 ASN 1.413 0.114 5 0 "[ . 1 .]"
1 49 ASN 1.608 0.114 5 0 "[ . 1 .]"
1 50 PRO 0.657 0.079 4 0 "[ . 1 .]"
1 51 LEU 2.933 0.193 7 0 "[ . 1 .]"
1 52 PTR 8.360 0.299 8 0 "[ . 1 .]"
1 53 LYS 7.195 0.299 8 0 "[ . 1 .]"
1 54 GLU 1.431 0.142 2 0 "[ . 1 .]"
1 55 ALA 0.465 0.106 12 0 "[ . 1 .]"
1 56 THR 0.383 0.085 4 0 "[ . 1 .]"
1 57 SER 0.138 0.051 10 0 "[ . 1 .]"
1 58 THR 0.338 0.084 13 0 "[ . 1 .]"
1 59 PHE 1.128 0.093 8 0 "[ . 1 .]"
1 60 THR 0.444 0.068 2 0 "[ . 1 .]"
1 61 ASN 0.906 0.194 15 0 "[ . 1 .]"
1 62 ILE 4.281 0.140 14 0 "[ . 1 .]"
1 63 THR 1.621 0.139 4 0 "[ . 1 .]"
1 64 TYR 2.690 0.160 11 0 "[ . 1 .]"
1 65 ARG 3.392 0.160 5 0 "[ . 1 .]"
1 66 GLY 1.692 0.160 5 0 "[ . 1 .]"
1 67 THR 2.841 0.160 11 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 H 1 21 LYS QB 2.625 . 3.450 2.934 2.532 3.359 . 0 0 "[ . 1 .]" 1
2 1 21 LYS H 1 21 LYS HB3 2.735 . 3.670 3.088 2.580 3.561 . 0 0 "[ . 1 .]" 1
3 1 21 LYS H 1 21 LYS QD 2.590 . 3.380 2.800 1.581 3.870 0.490 13 0 "[ . 1 .]" 1
4 1 21 LYS H 1 21 LYS QE 3.170 . 4.540 4.237 3.445 4.911 0.371 7 0 "[ . 1 .]" 1
5 1 21 LYS H 1 21 LYS QG 2.770 . 3.740 2.606 2.014 4.160 0.420 4 0 "[ . 1 .]" 1
6 1 21 LYS H 1 22 LEU H 2.765 . 3.730 2.203 1.836 3.322 . 0 0 "[ . 1 .]" 1
7 1 21 LYS H 1 23 LEU H 3.230 . 4.660 4.349 3.755 5.058 0.398 15 0 "[ . 1 .]" 1
8 1 21 LYS HA 1 21 LYS QD 2.830 . 3.860 3.747 3.590 3.835 . 0 0 "[ . 1 .]" 1
9 1 21 LYS HA 1 21 LYS QE 3.500 . 5.200 4.482 3.961 5.219 0.019 12 0 "[ . 1 .]" 1
10 1 21 LYS HA 1 21 LYS QG 2.725 . 3.650 3.488 3.382 3.531 . 0 0 "[ . 1 .]" 1
11 1 21 LYS QB 1 21 LYS QE 2.835 . 3.870 2.675 1.898 3.781 . 0 0 "[ . 1 .]" 1
12 1 21 LYS QB 1 22 LEU H 2.805 . 3.810 3.825 3.670 3.898 0.088 11 0 "[ . 1 .]" 1
13 1 21 LYS HB2 1 21 LYS QE 3.010 . 4.220 2.859 1.907 4.266 0.046 1 0 "[ . 1 .]" 1
14 1 21 LYS HB2 1 22 LEU H 3.040 . 4.280 4.224 4.061 4.371 0.091 4 0 "[ . 1 .]" 1
15 1 21 LYS HB2 1 25 THR H 3.625 . 5.450 4.594 4.285 5.081 . 0 0 "[ . 1 .]" 1
16 1 21 LYS HB3 1 21 LYS QE 3.150 . 4.500 3.803 3.443 4.527 0.027 12 0 "[ . 1 .]" 1
17 1 21 LYS HB3 1 21 LYS QG 2.340 . 2.880 2.241 2.167 2.398 . 0 0 "[ . 1 .]" 1
18 1 21 LYS HB3 1 22 LEU H 3.200 . 4.600 4.399 3.952 4.565 . 0 0 "[ . 1 .]" 1
19 1 21 LYS QE 1 21 LYS QG 2.745 . 3.690 2.508 2.089 2.808 . 0 0 "[ . 1 .]" 1
20 1 21 LYS QE 1 22 LEU HB2 2.800 . 3.800 3.788 3.281 3.904 0.104 10 0 "[ . 1 .]" 1
21 1 21 LYS QE 1 25 THR H 3.280 . 4.760 4.427 3.759 4.891 0.131 1 0 "[ . 1 .]" 1
22 1 21 LYS QG 1 22 LEU H 3.070 . 4.340 3.461 2.829 3.782 . 0 0 "[ . 1 .]" 1
23 1 22 LEU H 1 22 LEU HB3 2.445 . 3.090 2.474 2.340 2.609 . 0 0 "[ . 1 .]" 1
24 1 22 LEU H 1 22 LEU MD1 3.020 . 4.240 4.109 3.970 4.187 . 0 0 "[ . 1 .]" 1
25 1 22 LEU H 1 22 LEU MD2 3.070 . 4.340 4.233 4.169 4.276 . 0 0 "[ . 1 .]" 1
26 1 22 LEU H 1 22 LEU HG 3.240 . 4.680 4.383 4.314 4.443 . 0 0 "[ . 1 .]" 1
27 1 22 LEU H 1 25 THR HB 3.595 . 5.390 4.831 4.472 5.104 . 0 0 "[ . 1 .]" 1
28 1 22 LEU H 1 25 THR MG 3.170 . 4.540 4.268 4.052 4.559 0.019 2 0 "[ . 1 .]" 1
29 1 22 LEU HA 1 22 LEU MD1 2.690 . 3.580 2.200 2.126 2.275 . 0 0 "[ . 1 .]" 1
30 1 22 LEU HA 1 22 LEU MD2 2.950 . 4.100 3.903 3.872 3.938 . 0 0 "[ . 1 .]" 1
31 1 22 LEU HA 1 24 ILE H 3.345 . 4.890 3.879 3.721 4.119 . 0 0 "[ . 1 .]" 1
32 1 22 LEU HA 1 24 ILE HB 3.560 . 5.320 5.294 4.963 5.404 0.084 9 0 "[ . 1 .]" 1
33 1 22 LEU HA 1 25 THR H 2.865 . 3.930 2.998 2.881 3.104 . 0 0 "[ . 1 .]" 1
34 1 22 LEU HB2 1 22 LEU MD1 2.865 . 3.930 2.260 2.235 2.296 . 0 0 "[ . 1 .]" 1
35 1 22 LEU HB2 1 25 THR H 3.650 . 5.500 5.271 5.147 5.331 . 0 0 "[ . 1 .]" 1
36 1 22 LEU HB2 1 25 THR MG 2.930 . 4.060 3.606 3.370 3.866 . 0 0 "[ . 1 .]" 1
37 1 22 LEU HB3 1 22 LEU MD1 2.870 . 3.940 3.177 3.167 3.191 . 0 0 "[ . 1 .]" 1
38 1 22 LEU HB3 1 22 LEU MD2 2.820 . 3.840 2.229 2.212 2.246 . 0 0 "[ . 1 .]" 1
39 1 22 LEU HB3 1 23 LEU H 2.525 . 3.250 2.707 2.644 2.968 . 0 0 "[ . 1 .]" 1
40 1 22 LEU HB3 1 23 LEU QD 3.140 . 4.480 3.559 2.445 4.508 0.028 14 0 "[ . 1 .]" 1
41 1 22 LEU HB3 1 25 THR H 3.650 . 5.500 5.222 5.186 5.322 . 0 0 "[ . 1 .]" 1
42 1 22 LEU MD1 1 23 LEU H 3.365 . 4.930 4.647 4.541 4.763 . 0 0 "[ . 1 .]" 1
43 1 22 LEU MD1 1 25 THR HB 3.000 . 4.200 3.911 3.628 4.123 . 0 0 "[ . 1 .]" 1
44 1 22 LEU HG 1 23 LEU HA 3.030 . 4.260 3.698 3.417 4.096 . 0 0 "[ . 1 .]" 1
45 1 22 LEU HG 1 25 THR H 3.185 . 4.570 4.685 4.644 4.706 0.136 11 0 "[ . 1 .]" 1
46 1 23 LEU H 1 23 LEU QB 2.535 . 3.270 2.490 2.411 2.666 . 0 0 "[ . 1 .]" 1
47 1 23 LEU H 1 23 LEU MD1 3.110 . 4.420 3.228 1.802 3.990 . 0 0 "[ . 1 .]" 1
48 1 23 LEU H 1 23 LEU QD 2.815 . 3.830 2.382 1.793 3.033 0.007 7 0 "[ . 1 .]" 1
49 1 23 LEU H 1 23 LEU MD2 3.110 . 4.420 3.041 1.795 3.958 0.005 7 0 "[ . 1 .]" 1
50 1 23 LEU H 1 23 LEU HG 2.805 . 3.810 2.924 2.129 3.620 . 0 0 "[ . 1 .]" 1
51 1 23 LEU H 1 24 ILE QG 3.105 . 4.410 4.185 3.755 4.462 0.052 5 0 "[ . 1 .]" 1
52 1 23 LEU H 1 25 THR HB 3.635 . 5.470 5.435 5.051 5.530 0.060 13 0 "[ . 1 .]" 1
53 1 23 LEU H 1 25 THR MG 3.215 . 4.630 4.411 4.258 4.636 0.006 3 0 "[ . 1 .]" 1
54 1 23 LEU HA 1 23 LEU MD1 3.340 . 4.880 3.666 2.863 4.139 . 0 0 "[ . 1 .]" 1
55 1 23 LEU HA 1 23 LEU QD 2.995 . 4.190 2.803 2.031 3.432 . 0 0 "[ . 1 .]" 1
56 1 23 LEU HA 1 23 LEU MD2 3.340 . 4.880 3.193 2.038 4.067 . 0 0 "[ . 1 .]" 1
57 1 23 LEU HA 1 23 LEU HG 2.900 . 4.000 3.225 2.540 3.789 . 0 0 "[ . 1 .]" 1
58 1 23 LEU HA 1 24 ILE MD 3.350 . 4.900 4.765 4.235 4.932 0.032 15 0 "[ . 1 .]" 1
59 1 23 LEU QB 1 24 ILE H 2.915 . 4.030 3.157 2.634 3.740 . 0 0 "[ . 1 .]" 1
60 1 23 LEU QB 1 24 ILE QG 2.850 . 3.900 3.298 2.693 4.000 0.100 14 0 "[ . 1 .]" 1
61 1 23 LEU QD 1 24 ILE QG 2.875 . 3.950 3.292 1.784 4.042 0.092 3 0 "[ . 1 .]" 1
62 1 24 ILE H 1 24 ILE HB 2.735 . 3.670 2.511 2.388 2.656 . 0 0 "[ . 1 .]" 1
63 1 24 ILE H 1 24 ILE MD 2.985 . 4.170 3.081 1.921 3.649 . 0 0 "[ . 1 .]" 1
64 1 24 ILE H 1 24 ILE HG12 3.105 . 4.410 2.868 2.159 4.043 . 0 0 "[ . 1 .]" 1
65 1 24 ILE H 1 24 ILE QG 2.680 . 3.560 2.518 2.144 2.898 . 0 0 "[ . 1 .]" 1
66 1 24 ILE H 1 24 ILE HG13 3.105 . 4.410 3.560 2.567 3.988 . 0 0 "[ . 1 .]" 1
67 1 24 ILE H 1 24 ILE MG 2.840 . 3.880 3.783 3.728 3.827 . 0 0 "[ . 1 .]" 1
68 1 24 ILE H 1 25 THR HA 3.285 . 4.770 4.770 4.626 4.851 0.081 13 0 "[ . 1 .]" 1
69 1 24 ILE H 1 25 THR MG 3.260 . 4.720 4.015 3.839 4.317 . 0 0 "[ . 1 .]" 1
70 1 24 ILE HA 1 24 ILE MD 2.830 . 3.860 2.459 1.940 3.710 . 0 0 "[ . 1 .]" 1
71 1 24 ILE HA 1 24 ILE QG 2.665 . 3.530 2.810 2.382 3.010 . 0 0 "[ . 1 .]" 1
72 1 24 ILE HA 1 24 ILE MG 2.660 . 3.520 2.402 2.301 2.474 . 0 0 "[ . 1 .]" 1
73 1 24 ILE HA 1 27 HIS H 3.245 . 4.690 3.796 3.527 4.269 . 0 0 "[ . 1 .]" 1
74 1 24 ILE HA 1 27 HIS HB2 3.420 . 5.040 3.881 3.102 4.731 . 0 0 "[ . 1 .]" 1
75 1 24 ILE HB 1 24 ILE MD 2.555 . 3.310 2.976 2.211 3.252 . 0 0 "[ . 1 .]" 1
76 1 24 ILE HB 1 25 THR H 2.800 . 3.800 2.942 2.762 3.071 . 0 0 "[ . 1 .]" 1
77 1 24 ILE HB 1 25 THR HA 3.075 . 4.350 4.136 3.905 4.285 . 0 0 "[ . 1 .]" 1
78 1 24 ILE HB 1 25 THR MG 3.520 . 5.240 4.956 4.844 5.155 . 0 0 "[ . 1 .]" 1
79 1 24 ILE QG 1 24 ILE MG 2.370 . 2.940 2.263 2.096 2.344 . 0 0 "[ . 1 .]" 1
80 1 24 ILE HG12 1 24 ILE MG 2.695 . 3.590 2.940 2.158 3.225 . 0 0 "[ . 1 .]" 1
81 1 24 ILE HG13 1 24 ILE MG 2.695 . 3.590 2.494 2.342 2.855 . 0 0 "[ . 1 .]" 1
82 1 24 ILE MG 1 25 THR H 2.845 . 3.890 3.762 3.620 3.917 0.027 3 0 "[ . 1 .]" 1
83 1 25 THR H 1 25 THR HB 2.815 . 3.830 2.354 2.258 2.404 . 0 0 "[ . 1 .]" 1
84 1 25 THR H 1 25 THR MG 2.870 . 3.940 2.471 2.318 2.671 . 0 0 "[ . 1 .]" 1
85 1 25 THR H 1 26 ILE QG 3.100 . 4.400 3.759 3.549 3.971 . 0 0 "[ . 1 .]" 1
86 1 25 THR HA 1 25 THR MG 2.715 . 3.630 3.172 3.128 3.194 . 0 0 "[ . 1 .]" 1
87 1 25 THR HA 1 26 ILE HB 3.650 . 5.500 5.543 5.508 5.593 0.093 3 0 "[ . 1 .]" 1
88 1 25 THR HA 1 28 ASP HB2 3.390 . 4.980 2.793 2.361 3.488 . 0 0 "[ . 1 .]" 1
89 1 25 THR HA 1 28 ASP HB3 3.505 . 5.210 4.487 4.066 5.231 0.021 13 0 "[ . 1 .]" 1
90 1 25 THR HB 1 26 ILE H 2.960 . 4.120 3.983 3.793 4.114 . 0 0 "[ . 1 .]" 1
91 1 25 THR HB 1 28 ASP H 3.650 . 5.500 5.556 5.443 5.629 0.129 13 0 "[ . 1 .]" 1
92 1 25 THR MG 1 26 ILE H 3.090 . 4.380 2.579 2.341 2.736 . 0 0 "[ . 1 .]" 1
93 1 25 THR MG 1 26 ILE HA 3.105 . 4.410 3.101 2.957 3.188 . 0 0 "[ . 1 .]" 1
94 1 25 THR MG 1 26 ILE HB 3.155 . 4.510 4.464 4.205 4.606 0.096 4 0 "[ . 1 .]" 1
95 1 25 THR MG 1 26 ILE MG 3.175 . 4.550 4.496 4.325 4.581 0.031 5 0 "[ . 1 .]" 1
96 1 25 THR MG 1 29 ARG H 3.030 . 4.260 4.300 4.216 4.372 0.112 8 0 "[ . 1 .]" 1
97 1 25 THR MG 1 29 ARG QD 3.195 . 4.590 3.522 2.815 4.238 . 0 0 "[ . 1 .]" 1
98 1 26 ILE H 1 26 ILE HB 2.705 . 3.610 2.510 2.379 2.556 . 0 0 "[ . 1 .]" 1
99 1 26 ILE H 1 26 ILE MD 2.720 . 3.640 3.435 2.970 3.618 . 0 0 "[ . 1 .]" 1
100 1 26 ILE H 1 26 ILE HG12 2.820 . 3.840 3.050 2.020 3.480 . 0 0 "[ . 1 .]" 1
101 1 26 ILE H 1 26 ILE HG13 2.820 . 3.840 2.340 1.878 3.562 . 0 0 "[ . 1 .]" 1
102 1 26 ILE H 1 26 ILE MG 2.950 . 4.100 3.753 3.719 3.780 . 0 0 "[ . 1 .]" 1
103 1 26 ILE H 1 27 HIS H 3.015 . 4.230 2.658 2.555 2.727 . 0 0 "[ . 1 .]" 1
104 1 26 ILE H 1 27 HIS HA 3.600 . 5.400 5.247 5.198 5.295 . 0 0 "[ . 1 .]" 1
105 1 26 ILE H 1 27 HIS HB2 3.265 . 4.730 4.683 4.433 4.774 0.044 1 0 "[ . 1 .]" 1
106 1 26 ILE H 1 29 ARG QD 3.425 . 5.050 4.808 4.279 5.158 0.108 1 0 "[ . 1 .]" 1
107 1 26 ILE HA 1 26 ILE MD 2.875 . 3.950 3.483 2.002 3.873 . 0 0 "[ . 1 .]" 1
108 1 26 ILE HA 1 26 ILE HG12 2.845 . 3.890 2.671 2.503 3.146 . 0 0 "[ . 1 .]" 1
109 1 26 ILE HA 1 26 ILE QG 2.605 . 3.410 2.537 2.386 2.987 . 0 0 "[ . 1 .]" 1
110 1 26 ILE HA 1 26 ILE HG13 2.845 . 3.890 3.164 2.950 3.753 . 0 0 "[ . 1 .]" 1
111 1 26 ILE HA 1 26 ILE MG 2.610 . 3.420 2.406 2.321 2.467 . 0 0 "[ . 1 .]" 1
112 1 26 ILE HA 1 28 ASP H 3.305 . 4.810 4.373 4.092 4.581 . 0 0 "[ . 1 .]" 1
113 1 26 ILE HA 1 29 ARG QD 2.815 . 3.830 2.471 1.918 3.343 . 0 0 "[ . 1 .]" 1
114 1 26 ILE HB 1 26 ILE MD 2.575 . 3.350 2.610 2.418 3.250 . 0 0 "[ . 1 .]" 1
115 1 26 ILE HB 1 27 HIS H 3.025 . 4.250 2.570 2.425 2.772 . 0 0 "[ . 1 .]" 1
116 1 26 ILE HB 1 27 HIS HD2 3.485 . 5.170 5.085 2.923 5.281 0.111 6 0 "[ . 1 .]" 1
117 1 26 ILE HB 1 28 ASP H 3.520 . 5.240 4.907 4.742 5.135 . 0 0 "[ . 1 .]" 1
118 1 26 ILE QG 1 26 ILE MG 2.355 . 2.910 2.330 2.262 2.361 . 0 0 "[ . 1 .]" 1
119 1 26 ILE QG 1 27 HIS H 3.505 . 5.210 3.946 3.841 4.028 . 0 0 "[ . 1 .]" 1
120 1 26 ILE HG12 1 26 ILE MG 2.580 . 3.360 2.566 2.363 3.215 . 0 0 "[ . 1 .]" 1
121 1 26 ILE HG13 1 26 ILE MG 2.580 . 3.360 3.037 2.313 3.223 . 0 0 "[ . 1 .]" 1
122 1 26 ILE MG 1 27 HIS H 3.065 . 4.330 3.454 3.287 3.586 . 0 0 "[ . 1 .]" 1
123 1 26 ILE MG 1 27 HIS HB2 3.240 . 4.680 4.438 4.233 4.732 0.052 3 0 "[ . 1 .]" 1
124 1 26 ILE MG 1 27 HIS HD2 3.110 . 4.420 4.355 3.138 4.498 0.078 6 0 "[ . 1 .]" 1
125 1 26 ILE MG 1 28 ASP H 3.425 . 5.050 4.960 4.821 5.059 0.009 12 0 "[ . 1 .]" 1
126 1 26 ILE MG 1 29 ARG QB 2.910 . 4.020 3.675 3.154 4.125 0.105 3 0 "[ . 1 .]" 1
127 1 26 ILE MG 1 29 ARG QD 3.150 . 4.500 3.239 2.621 4.272 . 0 0 "[ . 1 .]" 1
128 1 27 HIS H 1 27 HIS HB2 2.955 . 4.110 2.244 2.163 2.360 . 0 0 "[ . 1 .]" 1
129 1 27 HIS H 1 27 HIS HB3 2.880 . 3.960 2.862 2.726 3.514 . 0 0 "[ . 1 .]" 1
130 1 27 HIS HA 1 27 HIS HD2 2.860 . 3.920 2.579 2.312 3.274 . 0 0 "[ . 1 .]" 1
131 1 27 HIS HB2 1 28 ASP H 3.145 . 4.490 3.553 2.976 3.864 . 0 0 "[ . 1 .]" 1
132 1 27 HIS HB3 1 28 ASP H 2.970 . 4.140 2.711 2.422 3.531 . 0 0 "[ . 1 .]" 1
133 1 27 HIS HB3 1 28 ASP HB2 3.440 . 5.080 4.634 4.389 5.107 0.027 3 0 "[ . 1 .]" 1
134 1 27 HIS HD2 1 28 ASP H 3.650 . 5.500 5.537 5.096 5.602 0.102 8 0 "[ . 1 .]" 1
135 1 28 ASP H 1 28 ASP HB2 2.680 . 3.560 2.428 2.334 2.523 . 0 0 "[ . 1 .]" 1
136 1 28 ASP H 1 28 ASP HB3 2.790 . 3.780 3.626 3.580 3.669 . 0 0 "[ . 1 .]" 1
137 1 28 ASP H 1 29 ARG H 2.945 . 4.090 2.393 2.248 2.544 . 0 0 "[ . 1 .]" 1
138 1 28 ASP HA 1 30 LYS H 3.195 . 4.590 3.852 3.500 4.357 . 0 0 "[ . 1 .]" 1
139 1 28 ASP HB2 1 29 ARG H 3.000 . 4.200 3.226 2.982 3.561 . 0 0 "[ . 1 .]" 1
140 1 28 ASP HB2 1 33 ALA H 3.620 . 5.440 5.131 4.609 5.456 0.016 7 0 "[ . 1 .]" 1
141 1 28 ASP HB2 1 33 ALA MB 3.650 . 5.500 5.191 4.471 5.593 0.093 13 0 "[ . 1 .]" 1
142 1 28 ASP HB3 1 29 ARG H 3.130 . 4.460 3.946 3.761 4.218 . 0 0 "[ . 1 .]" 1
143 1 28 ASP HB3 1 31 GLU H 3.400 . 5.000 4.973 4.597 5.087 0.087 7 0 "[ . 1 .]" 1
144 1 28 ASP HB3 1 31 GLU QB 3.215 . 4.630 4.236 3.746 4.578 . 0 0 "[ . 1 .]" 1
145 1 28 ASP HB3 1 33 ALA H 3.380 . 4.960 4.088 3.372 4.721 . 0 0 "[ . 1 .]" 1
146 1 29 ARG H 1 29 ARG QD 3.005 . 4.210 4.073 3.750 4.295 0.085 12 0 "[ . 1 .]" 1
147 1 29 ARG H 1 30 LYS H 3.225 . 4.650 2.588 2.418 2.833 . 0 0 "[ . 1 .]" 1
148 1 29 ARG H 1 32 PHE H 3.400 . 5.000 4.776 4.562 5.030 0.030 3 0 "[ . 1 .]" 1
149 1 29 ARG H 1 32 PHE QB 3.395 . 4.990 5.005 4.891 5.087 0.097 11 0 "[ . 1 .]" 1
150 1 29 ARG HA 1 29 ARG QD 3.455 . 5.110 4.068 3.816 4.235 . 0 0 "[ . 1 .]" 1
151 1 29 ARG HA 1 32 PHE QB 3.635 . 5.470 4.228 3.698 4.898 . 0 0 "[ . 1 .]" 1
152 1 29 ARG QB 1 30 LYS H 2.845 . 3.890 2.936 2.471 3.788 . 0 0 "[ . 1 .]" 1
153 1 29 ARG HB2 1 29 ARG QD 2.970 . 4.140 2.383 2.167 2.691 . 0 0 "[ . 1 .]" 1
154 1 29 ARG HB3 1 29 ARG QD 2.970 . 4.140 2.329 2.158 2.495 . 0 0 "[ . 1 .]" 1
155 1 29 ARG QD 1 30 LYS H 3.440 . 5.080 4.710 4.214 4.991 . 0 0 "[ . 1 .]" 1
156 1 29 ARG QD 1 54 GLU HB2 3.270 . 4.740 3.929 2.535 4.738 . 0 0 "[ . 1 .]" 1
157 1 29 ARG QD 1 54 GLU QB 2.910 . 4.020 3.456 2.512 4.107 0.087 7 0 "[ . 1 .]" 1
158 1 29 ARG QD 1 54 GLU HB3 3.270 . 4.740 4.099 3.206 4.766 0.026 9 0 "[ . 1 .]" 1
159 1 30 LYS H 1 30 LYS QG 3.120 . 4.440 3.021 2.105 4.090 . 0 0 "[ . 1 .]" 1
160 1 30 LYS H 1 31 GLU H 3.235 . 4.670 2.510 2.427 2.635 . 0 0 "[ . 1 .]" 1
161 1 30 LYS H 1 33 ALA H 3.495 . 5.190 4.565 4.283 4.769 . 0 0 "[ . 1 .]" 1
162 1 30 LYS HA 1 30 LYS QG 2.770 . 3.740 2.683 2.073 3.123 . 0 0 "[ . 1 .]" 1
163 1 30 LYS HA 1 34 LYS H 2.855 . 3.910 3.875 3.476 4.027 0.117 13 0 "[ . 1 .]" 1
164 1 30 LYS QB 1 30 LYS QE 2.775 . 3.750 2.836 1.787 3.814 0.064 11 0 "[ . 1 .]" 1
165 1 30 LYS QB 1 31 GLU H 2.900 . 4.000 2.510 2.210 2.889 . 0 0 "[ . 1 .]" 1
166 1 30 LYS QE 1 33 ALA MB 3.545 . 5.290 5.180 4.258 5.418 0.128 6 0 "[ . 1 .]" 1
167 1 31 GLU H 1 31 GLU HB2 2.820 . 3.840 2.596 2.477 2.843 . 0 0 "[ . 1 .]" 1
168 1 31 GLU H 1 31 GLU HB3 2.820 . 3.840 2.573 2.401 3.543 . 0 0 "[ . 1 .]" 1
169 1 31 GLU H 1 31 GLU QG 3.080 . 4.360 3.858 1.798 4.068 0.002 3 0 "[ . 1 .]" 1
170 1 31 GLU H 1 32 PHE H 3.085 . 4.370 2.757 2.688 2.854 . 0 0 "[ . 1 .]" 1
171 1 31 GLU H 1 32 PHE QB 3.485 . 5.170 4.574 4.411 4.655 . 0 0 "[ . 1 .]" 1
172 1 31 GLU H 1 33 ALA MB 3.330 . 4.860 4.829 4.637 4.950 0.090 15 0 "[ . 1 .]" 1
173 1 31 GLU HA 1 31 GLU QG 2.625 . 3.450 2.697 2.451 3.008 . 0 0 "[ . 1 .]" 1
174 1 31 GLU QB 1 32 PHE HA 2.975 . 4.150 4.076 3.599 4.166 0.016 5 0 "[ . 1 .]" 1
175 1 31 GLU QB 1 32 PHE QB 2.920 . 4.040 3.493 3.234 3.711 . 0 0 "[ . 1 .]" 1
176 1 31 GLU HB2 1 31 GLU QG 2.235 . 2.670 2.328 2.210 2.369 . 0 0 "[ . 1 .]" 1
177 1 31 GLU HB2 1 32 PHE H 2.830 . 3.860 3.563 2.153 3.746 . 0 0 "[ . 1 .]" 1
178 1 31 GLU HB3 1 31 GLU QG 2.235 . 2.670 2.261 2.154 2.399 . 0 0 "[ . 1 .]" 1
179 1 31 GLU HB3 1 32 PHE H 2.830 . 3.860 2.297 2.078 3.593 . 0 0 "[ . 1 .]" 1
180 1 31 GLU QG 1 32 PHE H 3.100 . 4.400 3.243 3.128 3.416 . 0 0 "[ . 1 .]" 1
181 1 31 GLU QG 1 32 PHE QB 3.070 . 4.340 3.691 3.395 4.472 0.132 3 0 "[ . 1 .]" 1
182 1 31 GLU QG 1 33 ALA H 3.650 . 5.500 5.337 5.074 5.506 0.006 12 0 "[ . 1 .]" 1
183 1 32 PHE H 1 32 PHE QB 2.640 . 3.480 2.256 2.160 2.284 . 0 0 "[ . 1 .]" 1
184 1 32 PHE H 1 32 PHE QD 3.090 . 4.380 4.179 4.099 4.257 . 0 0 "[ . 1 .]" 1
185 1 32 PHE HA 1 32 PHE QD 3.065 . 4.330 2.483 2.190 3.214 . 0 0 "[ . 1 .]" 1
186 1 32 PHE QB 1 33 ALA H 2.760 . 3.720 2.450 2.189 2.655 . 0 0 "[ . 1 .]" 1
187 1 32 PHE QB 1 33 ALA HA 3.080 . 4.360 4.091 3.823 4.285 . 0 0 "[ . 1 .]" 1
188 1 32 PHE QD 1 33 ALA H 3.175 . 4.550 3.500 3.212 3.658 . 0 0 "[ . 1 .]" 1
189 1 32 PHE QD 1 33 ALA HA 3.255 . 4.710 3.585 2.420 4.045 . 0 0 "[ . 1 .]" 1
190 1 32 PHE QD 1 35 PHE H 3.280 . 4.760 4.740 4.209 4.865 0.105 2 0 "[ . 1 .]" 1
191 1 32 PHE QD 1 35 PHE HB2 2.960 . 4.120 3.996 3.623 4.204 0.084 9 0 "[ . 1 .]" 1
192 1 32 PHE QD 1 35 PHE HB3 3.250 . 4.700 3.768 3.279 4.782 0.082 8 0 "[ . 1 .]" 1
193 1 32 PHE QD 1 36 GLU H 3.280 . 4.760 4.506 4.064 4.812 0.052 6 0 "[ . 1 .]" 1
194 1 32 PHE QD 1 36 GLU QB 3.345 . 4.890 4.289 3.742 4.907 0.017 8 0 "[ . 1 .]" 1
195 1 32 PHE QE 1 33 ALA HA 3.245 . 4.690 4.518 4.099 4.713 0.023 14 0 "[ . 1 .]" 1
196 1 32 PHE QE 1 33 ALA MB 3.435 . 5.070 5.070 4.820 5.140 0.070 9 0 "[ . 1 .]" 1
197 1 32 PHE QE 1 36 GLU QB 3.095 . 4.390 3.624 3.057 4.468 0.078 8 0 "[ . 1 .]" 1
198 1 32 PHE QE 1 36 GLU HG2 3.390 . 4.980 4.540 4.247 4.971 . 0 0 "[ . 1 .]" 1
199 1 33 ALA H 1 33 ALA MB 2.435 . 3.070 2.236 2.192 2.267 . 0 0 "[ . 1 .]" 1
200 1 33 ALA H 1 34 LYS H 2.615 . 3.430 2.779 2.693 2.872 . 0 0 "[ . 1 .]" 1
201 1 33 ALA H 1 34 LYS QB 3.335 . 4.870 4.497 4.434 4.587 . 0 0 "[ . 1 .]" 1
202 1 33 ALA HA 1 35 PHE HB3 3.600 . 5.400 4.921 4.619 5.453 0.053 1 0 "[ . 1 .]" 1
203 1 33 ALA HA 1 36 GLU QB 3.080 . 4.360 3.789 3.472 4.216 . 0 0 "[ . 1 .]" 1
204 1 33 ALA HA 1 37 GLU H 3.045 . 4.290 3.929 3.794 4.269 . 0 0 "[ . 1 .]" 1
205 1 33 ALA MB 1 34 LYS H 2.595 . 3.390 2.480 2.273 2.700 . 0 0 "[ . 1 .]" 1
206 1 33 ALA MB 1 34 LYS HA 2.785 . 3.770 3.740 3.617 3.814 0.044 12 0 "[ . 1 .]" 1
207 1 33 ALA MB 1 34 LYS QB 2.855 . 3.910 3.886 3.686 4.052 0.142 10 0 "[ . 1 .]" 1
208 1 33 ALA MB 1 34 LYS QE 3.155 . 4.510 4.228 2.415 4.722 0.212 13 0 "[ . 1 .]" 1
209 1 33 ALA MB 1 35 PHE H 3.025 . 4.250 4.259 4.215 4.297 0.047 1 0 "[ . 1 .]" 1
210 1 33 ALA MB 1 37 GLU H 3.170 . 4.540 4.272 4.041 4.469 . 0 0 "[ . 1 .]" 1
211 1 33 ALA MB 1 37 GLU QG 2.885 . 3.970 2.916 2.597 3.231 . 0 0 "[ . 1 .]" 1
212 1 34 LYS H 1 34 LYS QB 2.595 . 3.390 2.191 1.976 2.286 . 0 0 "[ . 1 .]" 1
213 1 34 LYS H 1 34 LYS QD 3.115 . 4.430 4.197 2.115 4.541 0.111 7 0 "[ . 1 .]" 1
214 1 34 LYS H 1 34 LYS QE 2.975 . 4.150 3.897 2.945 4.236 0.086 11 0 "[ . 1 .]" 1
215 1 34 LYS H 1 34 LYS QG 2.990 . 4.180 3.691 2.579 4.097 . 0 0 "[ . 1 .]" 1
216 1 34 LYS H 1 37 GLU H 3.285 . 4.770 4.638 4.528 4.747 . 0 0 "[ . 1 .]" 1
217 1 34 LYS H 1 37 GLU QG 3.330 . 4.860 4.280 3.658 4.864 0.004 15 0 "[ . 1 .]" 1
218 1 34 LYS HA 1 34 LYS QD 2.665 . 3.530 2.450 1.965 3.009 . 0 0 "[ . 1 .]" 1
219 1 34 LYS HA 1 34 LYS QE 3.135 . 4.470 2.016 1.655 2.774 0.145 13 0 "[ . 1 .]" 1
220 1 34 LYS HA 1 35 PHE HB2 3.650 . 5.500 5.535 5.236 5.602 0.102 13 0 "[ . 1 .]" 1
221 1 34 LYS QB 1 34 LYS QE 3.015 . 4.230 2.713 1.969 3.265 . 0 0 "[ . 1 .]" 1
222 1 34 LYS QB 1 35 PHE H 2.680 . 3.560 2.956 2.885 3.060 . 0 0 "[ . 1 .]" 1
223 1 34 LYS QB 1 36 GLU H 3.650 . 5.500 5.033 4.856 5.249 . 0 0 "[ . 1 .]" 1
224 1 34 LYS QB 1 37 GLU H 3.535 . 5.270 4.936 4.677 5.093 . 0 0 "[ . 1 .]" 1
225 1 34 LYS QD 1 37 GLU H 3.650 . 5.500 5.070 4.128 5.648 0.148 2 0 "[ . 1 .]" 1
226 1 34 LYS QE 1 37 GLU H 3.650 . 5.500 4.552 3.679 5.347 . 0 0 "[ . 1 .]" 1
227 1 34 LYS QE 1 37 GLU QG 3.175 . 4.550 3.343 1.753 4.555 0.047 10 0 "[ . 1 .]" 1
228 1 34 LYS QE 1 38 GLU H 3.650 . 5.500 5.070 3.590 5.609 0.109 1 0 "[ . 1 .]" 1
229 1 35 PHE H 1 35 PHE HB2 2.600 . 3.400 2.212 1.907 2.339 . 0 0 "[ . 1 .]" 1
230 1 35 PHE H 1 35 PHE HB3 2.490 . 3.180 2.739 2.504 3.304 0.124 8 0 "[ . 1 .]" 1
231 1 35 PHE H 1 35 PHE QD 3.025 . 4.250 3.870 2.327 4.165 . 0 0 "[ . 1 .]" 1
232 1 35 PHE H 1 36 GLU H 2.785 . 3.770 2.523 2.398 2.804 . 0 0 "[ . 1 .]" 1
233 1 35 PHE H 1 36 GLU HG2 3.280 . 4.760 4.090 3.905 4.430 . 0 0 "[ . 1 .]" 1
234 1 35 PHE H 1 36 GLU HG3 3.650 . 5.500 5.345 5.103 5.514 0.014 2 0 "[ . 1 .]" 1
235 1 35 PHE H 1 37 GLU QB 3.190 . 4.580 4.510 4.306 4.634 0.054 11 0 "[ . 1 .]" 1
236 1 35 PHE H 1 37 GLU QG 3.535 . 5.270 4.857 4.373 5.252 . 0 0 "[ . 1 .]" 1
237 1 35 PHE HA 1 35 PHE QD 3.245 . 4.690 2.854 2.662 3.050 . 0 0 "[ . 1 .]" 1
238 1 35 PHE HA 1 37 GLU H 3.190 . 4.580 4.338 4.215 4.433 . 0 0 "[ . 1 .]" 1
239 1 35 PHE HA 1 37 GLU QB 3.340 . 4.880 4.916 4.766 4.994 0.114 15 0 "[ . 1 .]" 1
240 1 35 PHE HB2 1 36 GLU H 2.755 . 3.710 3.230 2.522 3.432 . 0 0 "[ . 1 .]" 1
241 1 35 PHE HB2 1 36 GLU QB 3.250 . 4.700 4.775 4.293 4.882 0.182 6 0 "[ . 1 .]" 1
242 1 35 PHE HB3 1 36 GLU H 2.645 . 3.490 2.244 2.024 2.714 . 0 0 "[ . 1 .]" 1
243 1 35 PHE HB3 1 36 GLU QB 3.075 . 4.350 3.422 3.270 3.963 . 0 0 "[ . 1 .]" 1
244 1 35 PHE HB3 1 36 GLU HG2 3.335 . 4.870 4.347 3.991 4.902 0.032 1 0 "[ . 1 .]" 1
245 1 35 PHE HB3 1 37 GLU H 3.280 . 4.760 4.567 4.351 4.809 0.049 1 0 "[ . 1 .]" 1
246 1 35 PHE QD 1 36 GLU H 3.020 . 4.240 3.681 3.359 4.274 0.034 8 0 "[ . 1 .]" 1
247 1 35 PHE QD 1 36 GLU QB 3.590 . 5.380 3.889 3.239 5.451 0.071 1 0 "[ . 1 .]" 1
248 1 35 PHE QD 1 37 GLU H 3.650 . 5.500 5.455 5.319 5.587 0.087 1 0 "[ . 1 .]" 1
249 1 36 GLU H 1 36 GLU QB 2.380 . 2.960 2.306 2.199 2.443 . 0 0 "[ . 1 .]" 1
250 1 36 GLU H 1 36 GLU HG2 2.650 . 3.500 2.344 2.216 2.488 . 0 0 "[ . 1 .]" 1
251 1 36 GLU H 1 36 GLU HG3 2.660 . 3.520 3.378 3.193 3.524 0.004 14 0 "[ . 1 .]" 1
252 1 36 GLU HA 1 36 GLU QB 2.400 . 3.000 2.153 2.138 2.184 . 0 0 "[ . 1 .]" 1
253 1 36 GLU HA 1 36 GLU HG2 2.825 . 3.850 3.836 3.783 3.864 0.014 4 0 "[ . 1 .]" 1
254 1 36 GLU HA 1 36 GLU HG3 2.765 . 3.730 3.673 3.625 3.733 0.003 10 0 "[ . 1 .]" 1
255 1 36 GLU HA 1 40 ALA H 2.975 . 4.150 4.069 3.966 4.160 0.010 7 0 "[ . 1 .]" 1
256 1 36 GLU QB 1 36 GLU HG2 2.250 . 2.700 2.272 2.215 2.330 . 0 0 "[ . 1 .]" 1
257 1 36 GLU QB 1 37 GLU H 2.725 . 3.650 3.571 3.492 3.649 . 0 0 "[ . 1 .]" 1
258 1 36 GLU QB 1 40 ALA H 3.090 . 4.380 4.289 4.010 4.438 0.058 15 0 "[ . 1 .]" 1
259 1 36 GLU HG2 1 37 GLU H 2.700 . 3.600 2.822 2.685 3.015 . 0 0 "[ . 1 .]" 1
260 1 36 GLU HG2 1 40 ALA MB 3.270 . 4.740 4.448 3.708 4.783 0.043 9 0 "[ . 1 .]" 1
261 1 36 GLU HG3 1 37 GLU H 2.685 . 3.570 2.673 2.350 2.875 . 0 0 "[ . 1 .]" 1
262 1 36 GLU HG3 1 37 GLU HA 3.175 . 4.550 3.192 3.081 3.362 . 0 0 "[ . 1 .]" 1
263 1 37 GLU H 1 37 GLU QB 2.360 . 2.920 2.266 2.116 2.383 . 0 0 "[ . 1 .]" 1
264 1 37 GLU H 1 37 GLU QG 2.675 . 3.550 2.561 2.289 3.022 . 0 0 "[ . 1 .]" 1
265 1 37 GLU H 1 40 ALA MB 2.940 . 4.080 4.009 3.596 4.142 0.062 2 0 "[ . 1 .]" 1
266 1 37 GLU H 1 41 ARG H 3.580 . 5.360 5.243 4.801 5.442 0.082 4 0 "[ . 1 .]" 1
267 1 37 GLU HA 1 37 GLU QG 2.660 . 3.520 2.366 2.228 2.757 . 0 0 "[ . 1 .]" 1
268 1 37 GLU HA 1 40 ALA H 2.835 . 3.870 3.279 3.091 3.552 . 0 0 "[ . 1 .]" 1
269 1 37 GLU HA 1 40 ALA MB 2.700 . 3.600 2.116 1.793 2.466 0.007 1 0 "[ . 1 .]" 1
270 1 37 GLU QB 1 38 GLU H 2.560 . 3.320 2.790 2.647 2.960 . 0 0 "[ . 1 .]" 1
271 1 37 GLU QB 1 40 ALA MB 3.140 . 4.480 4.044 3.716 4.380 . 0 0 "[ . 1 .]" 1
272 1 37 GLU QG 1 40 ALA MB 2.915 . 4.030 3.598 3.176 4.093 0.063 4 0 "[ . 1 .]" 1
273 1 38 GLU H 1 38 GLU QB 2.380 . 2.960 2.477 2.408 2.556 . 0 0 "[ . 1 .]" 1
274 1 38 GLU H 1 38 GLU QG 2.585 . 3.370 2.153 2.069 2.296 . 0 0 "[ . 1 .]" 1
275 1 38 GLU H 1 40 ALA H 2.950 . 4.100 3.945 3.815 4.080 . 0 0 "[ . 1 .]" 1
276 1 38 GLU HA 1 38 GLU QG 2.545 . 3.290 2.395 2.315 2.855 . 0 0 "[ . 1 .]" 1
277 1 38 GLU QB 1 39 ARG H 2.810 . 3.820 2.384 2.269 2.512 . 0 0 "[ . 1 .]" 1
278 1 38 GLU QB 1 40 ALA H 3.160 . 4.520 4.460 4.297 4.581 0.061 8 0 "[ . 1 .]" 1
279 1 38 GLU QB 1 42 ALA MB 3.145 . 4.490 4.367 4.269 4.462 . 0 0 "[ . 1 .]" 1
280 1 38 GLU QG 1 39 ARG H 2.985 . 4.170 3.959 3.840 4.036 . 0 0 "[ . 1 .]" 1
281 1 38 GLU QG 1 40 ALA H 3.650 . 5.500 5.513 5.430 5.574 0.074 6 0 "[ . 1 .]" 1
282 1 38 GLU QG 1 42 ALA MB 3.650 . 5.500 5.531 5.305 5.625 0.125 15 0 "[ . 1 .]" 1
283 1 39 ARG H 1 39 ARG QB 2.600 . 3.400 2.367 2.227 2.813 . 0 0 "[ . 1 .]" 1
284 1 39 ARG H 1 39 ARG QD 3.385 . 4.970 3.996 3.274 4.596 . 0 0 "[ . 1 .]" 1
285 1 39 ARG H 1 39 ARG QG 2.995 . 4.190 3.336 1.895 4.090 . 0 0 "[ . 1 .]" 1
286 1 39 ARG H 1 42 ALA H 3.245 . 4.690 4.732 4.699 4.783 0.093 3 0 "[ . 1 .]" 1
287 1 39 ARG HA 1 39 ARG QG 2.680 . 3.560 2.879 2.382 3.507 . 0 0 "[ . 1 .]" 1
288 1 39 ARG QB 1 39 ARG QD 2.475 . 3.150 2.459 2.147 2.770 . 0 0 "[ . 1 .]" 1
289 1 39 ARG QB 1 40 ALA H 2.910 . 4.020 2.753 2.467 3.654 . 0 0 "[ . 1 .]" 1
290 1 39 ARG QD 1 42 ALA H 3.395 . 4.990 4.841 4.398 5.100 0.110 2 0 "[ . 1 .]" 1
291 1 39 ARG QG 1 40 ALA H 3.260 . 4.720 3.880 2.830 4.477 . 0 0 "[ . 1 .]" 1
292 1 40 ALA H 1 40 ALA MB 2.430 . 3.060 2.239 2.217 2.261 . 0 0 "[ . 1 .]" 1
293 1 40 ALA HA 1 42 ALA H 2.875 . 3.950 3.954 3.876 3.991 0.041 13 0 "[ . 1 .]" 1
294 1 40 ALA MB 1 41 ARG H 2.385 . 2.970 2.332 2.179 2.551 . 0 0 "[ . 1 .]" 1
295 1 40 ALA MB 1 41 ARG QB 2.740 . 3.680 3.514 3.433 3.682 0.002 15 0 "[ . 1 .]" 1
296 1 41 ARG H 1 41 ARG QB 2.535 . 3.270 2.223 2.151 2.286 . 0 0 "[ . 1 .]" 1
297 1 41 ARG H 1 41 ARG QD 3.115 . 4.430 4.400 4.251 4.544 0.114 5 0 "[ . 1 .]" 1
298 1 41 ARG H 1 41 ARG QG 2.960 . 4.120 3.938 3.873 3.976 . 0 0 "[ . 1 .]" 1
299 1 41 ARG HA 1 41 ARG QD 3.130 . 4.460 3.998 3.548 4.200 . 0 0 "[ . 1 .]" 1
300 1 41 ARG HA 1 41 ARG QG 2.730 . 3.660 2.433 2.281 2.525 . 0 0 "[ . 1 .]" 1
301 1 41 ARG HA 1 42 ALA H 2.605 . 3.410 3.370 3.295 3.404 . 0 0 "[ . 1 .]" 1
302 1 41 ARG QB 1 41 ARG QD 2.555 . 3.310 2.131 2.068 2.221 . 0 0 "[ . 1 .]" 1
303 1 41 ARG QB 1 42 ALA H 2.795 . 3.790 3.131 3.058 3.252 . 0 0 "[ . 1 .]" 1
304 1 41 ARG QB 1 42 ALA HA 3.030 . 4.260 4.232 4.070 4.311 0.051 2 0 "[ . 1 .]" 1
305 1 41 ARG QB 1 42 ALA MB 3.060 . 4.320 4.187 4.087 4.320 . 9 0 "[ . 1 .]" 1
306 1 41 ARG QD 1 42 ALA H 3.650 . 5.500 5.210 4.994 5.609 0.109 3 0 "[ . 1 .]" 1
307 1 41 ARG QD 1 45 ASP HA 3.420 . 5.040 3.880 2.950 4.227 . 0 0 "[ . 1 .]" 1
308 1 41 ARG QD 1 45 ASP QB 3.370 . 4.940 3.814 3.221 4.501 . 0 0 "[ . 1 .]" 1
309 1 41 ARG QD 1 49 ASN QB 3.545 . 5.290 3.525 2.487 4.666 . 0 0 "[ . 1 .]" 1
310 1 41 ARG QD 1 49 ASN QD 3.525 . 5.250 3.362 2.205 4.620 . 0 0 "[ . 1 .]" 1
311 1 41 ARG QG 1 42 ALA H 3.085 . 4.370 4.129 3.989 4.269 . 0 0 "[ . 1 .]" 1
312 1 41 ARG QG 1 42 ALA HA 3.210 . 4.620 4.092 3.886 4.407 . 0 0 "[ . 1 .]" 1
313 1 41 ARG QG 1 45 ASP QB 3.325 . 4.850 2.188 1.826 2.574 . 0 0 "[ . 1 .]" 1
314 1 41 ARG QG 1 46 THR H 3.425 . 5.050 4.929 4.722 5.056 0.006 11 0 "[ . 1 .]" 1
315 1 41 ARG QG 1 47 ALA H 3.650 . 5.500 5.529 5.229 5.617 0.117 5 0 "[ . 1 .]" 1
316 1 42 ALA H 1 42 ALA MB 2.445 . 3.090 2.210 2.159 2.287 . 0 0 "[ . 1 .]" 1
317 1 42 ALA H 1 45 ASP QB 3.445 . 5.090 5.010 4.867 5.159 0.069 3 0 "[ . 1 .]" 1
318 1 42 ALA HA 1 43 LYS H 2.650 . 3.500 3.358 3.323 3.441 . 0 0 "[ . 1 .]" 1
319 1 42 ALA HA 1 43 LYS QB 3.590 . 5.380 5.102 4.763 5.359 . 0 0 "[ . 1 .]" 1
320 1 42 ALA HA 1 45 ASP QB 3.270 . 4.740 4.441 4.283 4.614 . 0 0 "[ . 1 .]" 1
321 1 42 ALA MB 1 43 LYS H 2.495 . 3.190 2.952 2.762 3.087 . 0 0 "[ . 1 .]" 1
322 1 42 ALA MB 1 43 LYS QB 2.765 . 3.730 3.607 3.279 3.779 0.049 10 0 "[ . 1 .]" 1
323 1 42 ALA MB 1 43 LYS QE 3.215 . 4.630 3.474 2.684 4.186 . 0 0 "[ . 1 .]" 1
324 1 42 ALA MB 1 44 TRP HD1 3.425 . 5.050 5.137 5.060 5.258 0.208 7 0 "[ . 1 .]" 1
325 1 43 LYS H 1 43 LYS QB 2.570 . 3.340 2.700 2.525 3.250 . 0 0 "[ . 1 .]" 1
326 1 43 LYS H 1 43 LYS QE 3.280 . 4.760 4.285 3.660 4.813 0.053 10 0 "[ . 1 .]" 1
327 1 43 LYS H 1 43 LYS QG 3.025 . 4.250 3.390 2.162 4.260 0.010 4 0 "[ . 1 .]" 1
328 1 43 LYS H 1 44 TRP H 2.635 . 3.470 1.793 1.744 1.851 0.056 3 0 "[ . 1 .]" 1
329 1 43 LYS H 1 44 TRP HA 3.200 . 4.600 4.496 4.445 4.558 . 0 0 "[ . 1 .]" 1
330 1 43 LYS H 1 44 TRP HB2 3.330 . 4.860 4.261 4.181 4.340 . 0 0 "[ . 1 .]" 1
331 1 43 LYS H 1 45 ASP H 2.610 . 3.420 3.507 3.480 3.548 0.128 12 0 "[ . 1 .]" 1
332 1 43 LYS HA 1 43 LYS QG 2.825 . 3.850 2.727 2.287 3.305 . 0 0 "[ . 1 .]" 1
333 1 43 LYS HA 1 44 TRP H 2.665 . 3.530 3.504 3.465 3.538 0.008 5 0 "[ . 1 .]" 1
334 1 43 LYS HA 1 44 TRP HD1 3.030 . 4.260 4.224 3.988 4.317 0.057 14 0 "[ . 1 .]" 1
335 1 43 LYS HA 1 44 TRP HE1 3.340 . 4.880 5.110 5.060 5.164 0.284 6 0 "[ . 1 .]" 1
336 1 43 LYS QB 1 43 LYS QE 2.875 . 3.950 2.337 1.772 3.791 0.028 11 0 "[ . 1 .]" 1
337 1 43 LYS QB 1 44 TRP H 2.785 . 3.770 2.861 2.569 3.402 . 0 0 "[ . 1 .]" 1
338 1 43 LYS QB 1 44 TRP HE1 3.650 . 5.500 2.547 2.444 2.646 . 0 0 "[ . 1 .]" 1
339 1 43 LYS QG 1 44 TRP H 3.185 . 4.570 3.933 2.460 4.491 . 0 0 "[ . 1 .]" 1
340 1 43 LYS QG 1 44 TRP HD1 2.985 . 4.170 3.296 1.731 4.014 0.069 7 0 "[ . 1 .]" 1
341 1 43 LYS QG 1 44 TRP HE1 3.115 . 4.430 3.410 2.286 4.444 0.014 12 0 "[ . 1 .]" 1
342 1 44 TRP H 1 44 TRP HB2 2.595 . 3.390 2.606 2.547 2.669 . 0 0 "[ . 1 .]" 1
343 1 44 TRP H 1 44 TRP HB3 2.975 . 4.150 3.759 3.718 3.792 . 0 0 "[ . 1 .]" 1
344 1 44 TRP H 1 44 TRP HD1 3.150 . 4.500 2.603 2.419 2.805 . 0 0 "[ . 1 .]" 1
345 1 44 TRP H 1 45 ASP H 2.835 . 3.870 2.673 2.534 2.786 . 0 0 "[ . 1 .]" 1
346 1 44 TRP H 1 45 ASP QB 3.170 . 4.540 4.354 4.226 4.480 . 0 0 "[ . 1 .]" 1
347 1 44 TRP HA 1 44 TRP HD1 3.050 . 4.300 3.964 3.749 4.090 . 0 0 "[ . 1 .]" 1
348 1 44 TRP HA 1 44 TRP HE3 2.710 . 3.620 3.606 3.495 3.677 0.057 7 0 "[ . 1 .]" 1
349 1 44 TRP HA 1 45 ASP H 2.435 . 3.070 2.662 2.570 2.722 . 0 0 "[ . 1 .]" 1
350 1 44 TRP HA 1 46 THR H 2.565 . 3.330 3.370 3.247 3.439 0.109 13 0 "[ . 1 .]" 1
351 1 44 TRP HA 1 47 ALA H 2.675 . 3.550 3.466 3.315 3.577 0.027 2 0 "[ . 1 .]" 1
352 1 44 TRP HB2 1 44 TRP HE1 3.390 . 4.980 4.771 4.740 4.795 . 0 0 "[ . 1 .]" 1
353 1 44 TRP HB2 1 45 ASP H 2.935 . 4.070 4.136 4.112 4.159 0.089 7 0 "[ . 1 .]" 1
354 1 44 TRP HB2 1 48 ASN HD21 3.075 . 4.350 2.284 2.064 2.554 . 0 0 "[ . 1 .]" 1
355 1 44 TRP HB2 1 48 ASN QD 3.290 . 4.780 1.935 1.766 2.155 0.034 4 0 "[ . 1 .]" 1
356 1 44 TRP HB3 1 45 ASP H 3.470 . 5.140 4.414 4.357 4.463 . 0 0 "[ . 1 .]" 1
357 1 44 TRP HB3 1 46 THR MG 3.195 . 4.590 4.335 4.076 4.552 . 0 0 "[ . 1 .]" 1
358 1 44 TRP HB3 1 48 ASN HD21 3.325 . 4.850 3.107 2.736 3.389 . 0 0 "[ . 1 .]" 1
359 1 44 TRP HB3 1 48 ASN QD 3.545 . 5.290 2.792 2.450 3.018 . 0 0 "[ . 1 .]" 1
360 1 44 TRP HD1 1 45 ASP H 3.550 . 5.300 5.051 4.943 5.175 . 0 0 "[ . 1 .]" 1
361 1 44 TRP HE3 1 46 THR MG 3.160 . 4.520 4.357 3.949 4.564 0.044 3 0 "[ . 1 .]" 1
362 1 45 ASP H 1 45 ASP HB2 2.635 . 3.470 3.121 2.536 3.581 0.111 14 0 "[ . 1 .]" 1
363 1 45 ASP H 1 45 ASP QB 2.385 . 2.970 2.351 2.260 2.485 . 0 0 "[ . 1 .]" 1
364 1 45 ASP H 1 45 ASP HB3 2.635 . 3.470 2.491 2.364 2.610 . 0 0 "[ . 1 .]" 1
365 1 45 ASP H 1 46 THR H 2.855 . 3.910 2.892 2.736 3.043 . 0 0 "[ . 1 .]" 1
366 1 45 ASP H 1 47 ALA MB 3.380 . 4.960 4.854 4.738 4.979 0.019 15 0 "[ . 1 .]" 1
367 1 45 ASP H 1 48 ASN HD21 3.375 . 4.950 4.466 4.241 4.762 . 0 0 "[ . 1 .]" 1
368 1 45 ASP H 1 48 ASN QD 3.315 . 4.830 4.307 4.100 4.581 . 0 0 "[ . 1 .]" 1
369 1 45 ASP HA 1 49 ASN H 2.865 . 3.930 3.790 3.611 3.971 0.041 1 0 "[ . 1 .]" 1
370 1 45 ASP QB 1 46 THR H 2.655 . 3.510 3.026 2.382 3.527 0.017 7 0 "[ . 1 .]" 1
371 1 45 ASP HB2 1 46 THR H 2.935 . 4.070 3.866 3.759 3.997 . 0 0 "[ . 1 .]" 1
372 1 45 ASP HB3 1 46 THR H 2.935 . 4.070 3.304 2.407 4.051 . 0 0 "[ . 1 .]" 1
373 1 46 THR H 1 46 THR MG 2.785 . 3.770 2.147 2.045 2.263 . 0 0 "[ . 1 .]" 1
374 1 46 THR H 1 47 ALA MB 3.210 . 4.620 4.101 4.036 4.282 . 0 0 "[ . 1 .]" 1
375 1 46 THR HA 1 46 THR MG 2.570 . 3.340 3.224 3.210 3.230 . 0 0 "[ . 1 .]" 1
376 1 46 THR HA 1 49 ASN H 3.245 . 4.690 3.867 3.555 4.343 . 0 0 "[ . 1 .]" 1
377 1 46 THR MG 1 47 ALA H 3.140 . 4.480 2.769 2.711 2.835 . 0 0 "[ . 1 .]" 1
378 1 47 ALA H 1 47 ALA MB 2.475 . 3.150 2.332 2.271 2.385 . 0 0 "[ . 1 .]" 1
379 1 47 ALA H 1 48 ASN QB 3.270 . 4.740 4.347 4.191 4.474 . 0 0 "[ . 1 .]" 1
380 1 47 ALA H 1 48 ASN HD21 3.420 . 5.040 3.687 3.460 3.890 . 0 0 "[ . 1 .]" 1
381 1 47 ALA H 1 48 ASN QD 3.355 . 4.910 3.588 3.373 3.764 . 0 0 "[ . 1 .]" 1
382 1 47 ALA H 1 49 ASN QB 3.505 . 5.210 5.021 4.721 5.239 0.029 12 0 "[ . 1 .]" 1
383 1 47 ALA HA 1 48 ASN QB 3.650 . 5.500 5.472 5.369 5.529 0.029 4 0 "[ . 1 .]" 1
384 1 47 ALA HA 1 49 ASN H 3.385 . 4.970 4.537 4.155 4.880 . 0 0 "[ . 1 .]" 1
385 1 47 ALA MB 1 48 ASN H 2.755 . 3.710 2.659 2.440 3.129 . 0 0 "[ . 1 .]" 1
386 1 47 ALA MB 1 48 ASN QB 3.145 . 4.490 4.154 4.057 4.315 . 0 0 "[ . 1 .]" 1
387 1 47 ALA MB 1 48 ASN QD 3.470 . 5.140 2.844 2.603 3.051 . 0 0 "[ . 1 .]" 1
388 1 47 ALA MB 1 48 ASN HD22 3.545 . 5.290 3.335 2.997 3.599 . 0 0 "[ . 1 .]" 1
389 1 48 ASN H 1 48 ASN QB 2.755 . 3.710 2.471 2.422 2.649 . 0 0 "[ . 1 .]" 1
390 1 48 ASN H 1 48 ASN HD21 3.380 . 4.960 2.413 2.266 2.789 . 0 0 "[ . 1 .]" 1
391 1 48 ASN H 1 48 ASN QD 3.315 . 4.830 2.386 2.242 2.751 . 0 0 "[ . 1 .]" 1
392 1 48 ASN H 1 49 ASN QB 3.175 . 4.550 4.250 4.029 4.473 . 0 0 "[ . 1 .]" 1
393 1 48 ASN HA 1 48 ASN HD21 2.980 . 4.160 3.842 3.776 3.891 . 0 0 "[ . 1 .]" 1
394 1 48 ASN HA 1 48 ASN QD 2.790 . 3.780 3.593 3.536 3.638 . 0 0 "[ . 1 .]" 1
395 1 48 ASN HA 1 48 ASN HD22 3.065 . 4.330 4.322 4.262 4.374 0.044 4 0 "[ . 1 .]" 1
396 1 48 ASN QB 1 49 ASN H 3.650 . 5.500 2.794 2.663 3.129 . 0 0 "[ . 1 .]" 1
397 1 48 ASN HD21 1 49 ASN QB 3.570 . 5.340 5.418 5.369 5.454 0.114 5 0 "[ . 1 .]" 1
398 1 49 ASN H 1 49 ASN HB2 2.775 . 3.750 2.480 2.245 3.060 . 0 0 "[ . 1 .]" 1
399 1 49 ASN H 1 49 ASN HB3 2.775 . 3.750 3.595 2.730 3.752 0.002 1 0 "[ . 1 .]" 1
400 1 49 ASN H 1 49 ASN QD 3.485 . 5.170 3.986 2.481 4.716 . 0 0 "[ . 1 .]" 1
401 1 49 ASN H 1 50 PRO QD 3.275 . 4.750 4.241 3.852 4.363 . 0 0 "[ . 1 .]" 1
402 1 49 ASN HA 1 49 ASN HD21 3.395 . 4.990 2.709 1.790 4.132 0.010 7 0 "[ . 1 .]" 1
403 1 49 ASN HA 1 49 ASN HD22 3.395 . 4.990 3.783 3.306 4.502 . 0 0 "[ . 1 .]" 1
404 1 49 ASN QB 1 50 PRO QD 3.185 . 4.570 2.769 2.264 3.458 . 0 0 "[ . 1 .]" 1
405 1 49 ASN QB 1 52 PTR H 3.075 . 4.350 3.238 2.851 3.846 . 0 0 "[ . 1 .]" 1
406 1 49 ASN HB2 1 51 LEU H 3.150 . 4.500 4.007 3.596 4.538 0.038 8 0 "[ . 1 .]" 1
407 1 49 ASN HB2 1 52 PTR H 3.415 . 5.030 4.744 4.214 5.078 0.048 4 0 "[ . 1 .]" 1
408 1 49 ASN HB3 1 51 LEU H 3.150 . 4.500 2.862 2.370 3.412 . 0 0 "[ . 1 .]" 1
409 1 49 ASN HB3 1 52 PTR H 3.415 . 5.030 3.299 2.899 3.988 . 0 0 "[ . 1 .]" 1
410 1 49 ASN QD 1 51 LEU H 3.355 . 4.910 4.669 4.017 4.979 0.069 15 0 "[ . 1 .]" 1
411 1 50 PRO HA 1 51 LEU HB3 3.615 . 5.430 5.382 5.272 5.456 0.026 11 0 "[ . 1 .]" 1
412 1 50 PRO HB2 1 51 LEU H 2.805 . 3.810 3.497 3.096 3.820 0.010 1 0 "[ . 1 .]" 1
413 1 50 PRO HB2 1 51 LEU HB3 3.085 . 4.370 4.010 3.664 4.275 . 0 0 "[ . 1 .]" 1
414 1 50 PRO HB3 1 51 LEU H 3.110 . 4.420 4.204 4.035 4.345 . 0 0 "[ . 1 .]" 1
415 1 50 PRO QD 1 51 LEU H 3.210 . 4.620 2.615 2.296 3.088 . 0 0 "[ . 1 .]" 1
416 1 50 PRO QD 1 52 PTR H 3.340 . 4.880 3.274 2.678 4.078 . 0 0 "[ . 1 .]" 1
417 1 50 PRO HD2 1 51 LEU H 3.570 . 5.340 2.665 2.325 3.187 . 0 0 "[ . 1 .]" 1
418 1 50 PRO HD3 1 51 LEU H 3.570 . 5.340 3.820 3.570 4.141 . 0 0 "[ . 1 .]" 1
419 1 50 PRO HG2 1 51 LEU H 2.975 . 4.150 2.601 2.301 2.986 . 0 0 "[ . 1 .]" 1
420 1 50 PRO HG2 1 51 LEU HB2 3.190 . 4.580 4.175 3.654 4.559 . 0 0 "[ . 1 .]" 1
421 1 50 PRO HG2 1 56 THR H 3.550 . 5.300 5.110 4.029 5.379 0.079 4 0 "[ . 1 .]" 1
422 1 50 PRO HG2 1 57 SER H 3.435 . 5.070 4.662 3.801 5.121 0.051 10 0 "[ . 1 .]" 1
423 1 50 PRO HG3 1 52 PTR H 3.305 . 4.810 4.786 4.515 4.889 0.079 8 0 "[ . 1 .]" 1
424 1 51 LEU H 1 51 LEU HB2 2.650 . 3.500 3.484 3.408 3.563 0.063 15 0 "[ . 1 .]" 1
425 1 51 LEU H 1 51 LEU HB3 2.485 . 3.170 3.003 2.856 3.181 0.011 10 0 "[ . 1 .]" 1
426 1 51 LEU H 1 51 LEU QD 3.090 . 4.380 4.079 4.048 4.122 . 0 0 "[ . 1 .]" 1
427 1 51 LEU H 1 51 LEU HG 3.265 . 4.730 4.552 4.448 4.672 . 0 0 "[ . 1 .]" 1
428 1 51 LEU H 1 52 PTR H 2.625 . 3.450 1.933 1.808 2.093 . 0 0 "[ . 1 .]" 1
429 1 51 LEU H 1 52 PTR HB2 3.430 . 5.060 4.869 4.727 5.043 . 0 0 "[ . 1 .]" 1
430 1 51 LEU H 1 52 PTR HB3 3.310 . 4.820 4.827 4.738 4.874 0.054 1 0 "[ . 1 .]" 1
431 1 51 LEU H 1 53 LYS H 2.975 . 4.150 4.014 3.739 4.207 0.057 2 0 "[ . 1 .]" 1
432 1 51 LEU HA 1 51 LEU QD 3.070 . 4.340 2.103 2.070 2.142 . 0 0 "[ . 1 .]" 1
433 1 51 LEU HA 1 52 PTR HB3 3.560 . 5.320 5.411 5.266 5.513 0.193 7 0 "[ . 1 .]" 1
434 1 51 LEU HB2 1 52 PTR H 3.000 . 4.200 3.796 3.648 3.962 . 0 0 "[ . 1 .]" 1
435 1 51 LEU HB3 1 52 PTR H 2.730 . 3.660 2.488 2.264 2.718 . 0 0 "[ . 1 .]" 1
436 1 51 LEU HB3 1 52 PTR HB2 3.200 . 4.600 3.866 3.564 4.286 . 0 0 "[ . 1 .]" 1
437 1 51 LEU HB3 1 52 PTR HB3 3.210 . 4.620 3.903 3.699 4.037 . 0 0 "[ . 1 .]" 1
438 1 51 LEU QD 1 52 PTR H 3.315 . 4.830 3.803 3.631 3.942 . 0 0 "[ . 1 .]" 1
439 1 51 LEU QD 1 52 PTR HB3 3.180 . 4.560 3.961 3.694 4.157 . 0 0 "[ . 1 .]" 1
440 1 51 LEU HG 1 52 PTR HB3 2.680 . 3.560 3.602 3.564 3.664 0.104 14 0 "[ . 1 .]" 1
441 1 52 PTR H 1 52 PTR HB2 2.585 . 3.370 3.241 2.977 3.436 0.066 11 0 "[ . 1 .]" 1
442 1 52 PTR H 1 52 PTR HB3 2.505 . 3.210 2.920 2.761 3.068 . 0 0 "[ . 1 .]" 1
443 1 52 PTR H 1 56 THR HB 3.080 . 4.360 3.855 3.142 4.408 0.048 12 0 "[ . 1 .]" 1
444 1 52 PTR HB2 1 53 LYS H 2.905 . 4.010 3.261 3.056 3.479 . 0 0 "[ . 1 .]" 1
445 1 52 PTR HB2 1 53 LYS QB 3.015 . 4.230 4.495 4.418 4.529 0.299 8 0 "[ . 1 .]" 1
446 1 52 PTR HB2 1 53 LYS QD 3.450 . 5.100 5.128 4.632 5.284 0.184 14 0 "[ . 1 .]" 1
447 1 52 PTR HB2 1 56 THR MG 3.185 . 4.570 2.874 2.311 3.364 . 0 0 "[ . 1 .]" 1
448 1 52 PTR HB3 1 53 LYS H 2.735 . 3.670 1.861 1.759 2.024 0.041 1 0 "[ . 1 .]" 1
449 1 52 PTR HB3 1 56 THR HB 3.650 . 5.500 3.237 2.231 3.897 . 0 0 "[ . 1 .]" 1
450 1 53 LYS H 1 53 LYS HB2 2.860 . 3.920 2.262 2.010 2.367 . 0 0 "[ . 1 .]" 1
451 1 53 LYS H 1 53 LYS QB 2.480 . 3.160 2.235 1.986 2.339 . 0 0 "[ . 1 .]" 1
452 1 53 LYS H 1 53 LYS HB3 2.860 . 3.920 3.519 2.910 3.673 . 0 0 "[ . 1 .]" 1
453 1 53 LYS H 1 53 LYS QD 2.905 . 4.010 3.703 3.276 3.917 . 0 0 "[ . 1 .]" 1
454 1 53 LYS H 1 53 LYS QG 2.750 . 3.700 3.284 2.970 3.959 0.259 11 0 "[ . 1 .]" 1
455 1 53 LYS H 1 54 GLU H 3.185 . 4.570 4.221 4.034 4.304 . 0 0 "[ . 1 .]" 1
456 1 53 LYS H 1 55 ALA H 3.500 . 5.200 4.975 4.694 5.209 0.009 8 0 "[ . 1 .]" 1
457 1 53 LYS H 1 56 THR HB 3.145 . 4.490 2.875 2.040 3.864 . 0 0 "[ . 1 .]" 1
458 1 53 LYS HA 1 53 LYS QD 2.605 . 3.410 1.989 1.772 2.196 0.028 9 0 "[ . 1 .]" 1
459 1 53 LYS HA 1 53 LYS QG 2.860 . 3.920 2.912 2.285 3.114 . 0 0 "[ . 1 .]" 1
460 1 53 LYS HA 1 54 GLU H 2.400 . 3.000 2.608 2.415 2.776 . 0 0 "[ . 1 .]" 1
461 1 53 LYS HA 1 54 GLU QB 3.250 . 4.700 4.323 4.193 4.607 . 0 0 "[ . 1 .]" 1
462 1 53 LYS QB 1 54 GLU H 2.365 . 2.930 2.146 1.907 2.306 . 0 0 "[ . 1 .]" 1
463 1 53 LYS QB 1 55 ALA H 3.235 . 4.670 2.584 2.244 2.863 . 0 0 "[ . 1 .]" 1
464 1 53 LYS QB 1 56 THR HB 3.045 . 4.290 3.444 1.786 4.280 0.014 10 0 "[ . 1 .]" 1
465 1 53 LYS QB 1 65 ARG QD 3.155 . 4.510 4.047 3.377 4.587 0.077 14 0 "[ . 1 .]" 1
466 1 53 LYS HB2 1 54 GLU H 2.625 . 3.450 3.450 3.229 3.592 0.142 2 0 "[ . 1 .]" 1
467 1 53 LYS HB3 1 54 GLU H 2.625 . 3.450 2.169 1.921 2.342 . 0 0 "[ . 1 .]" 1
468 1 53 LYS QD 1 53 LYS QG 2.285 . 2.770 2.032 1.966 2.100 . 0 0 "[ . 1 .]" 1
469 1 53 LYS QG 1 65 ARG QD 2.920 . 4.040 3.581 2.474 4.149 0.109 9 0 "[ . 1 .]" 1
470 1 54 GLU H 1 54 GLU HB2 2.800 . 3.800 2.867 2.531 3.699 . 0 0 "[ . 1 .]" 1
471 1 54 GLU H 1 54 GLU QB 2.530 . 3.260 2.335 2.204 2.649 . 0 0 "[ . 1 .]" 1
472 1 54 GLU H 1 54 GLU HB3 2.800 . 3.800 2.503 2.389 2.714 . 0 0 "[ . 1 .]" 1
473 1 54 GLU H 1 54 GLU QG 2.880 . 3.960 3.690 2.142 4.005 0.045 3 0 "[ . 1 .]" 1
474 1 54 GLU H 1 56 THR H 2.970 . 4.140 3.751 3.617 3.881 . 0 0 "[ . 1 .]" 1
475 1 54 GLU HA 1 54 GLU QG 2.830 . 3.860 2.877 2.406 3.530 . 0 0 "[ . 1 .]" 1
476 1 54 GLU HA 1 55 ALA MB 3.480 . 5.160 4.983 4.914 5.034 . 0 0 "[ . 1 .]" 1
477 1 54 GLU QB 1 55 ALA H 2.700 . 3.600 2.720 2.233 3.479 . 0 0 "[ . 1 .]" 1
478 1 54 GLU QB 1 55 ALA MB 3.285 . 4.770 3.809 3.486 4.539 . 0 0 "[ . 1 .]" 1
479 1 54 GLU HB2 1 55 ALA H 3.100 . 4.400 3.841 3.654 4.050 . 0 0 "[ . 1 .]" 1
480 1 54 GLU HB3 1 55 ALA H 3.100 . 4.400 2.844 2.253 3.956 . 0 0 "[ . 1 .]" 1
481 1 54 GLU QG 1 55 ALA H 3.170 . 4.540 3.307 2.051 3.747 . 0 0 "[ . 1 .]" 1
482 1 54 GLU QG 1 55 ALA MB 3.090 . 4.380 3.781 2.502 4.403 0.023 12 0 "[ . 1 .]" 1
483 1 54 GLU QG 1 58 THR MG 3.280 . 4.760 4.393 3.619 4.844 0.084 13 0 "[ . 1 .]" 1
484 1 55 ALA H 1 55 ALA MB 2.505 . 3.210 2.271 2.197 2.356 . 0 0 "[ . 1 .]" 1
485 1 55 ALA H 1 56 THR H 3.000 . 4.200 2.534 2.223 2.665 . 0 0 "[ . 1 .]" 1
486 1 55 ALA HA 1 56 THR H 2.610 . 3.420 3.346 3.215 3.469 0.049 6 0 "[ . 1 .]" 1
487 1 55 ALA HA 1 59 PHE QD 3.645 . 5.490 3.744 2.125 4.701 . 0 0 "[ . 1 .]" 1
488 1 55 ALA HA 1 66 GLY HA2 3.080 . 4.360 4.312 4.103 4.466 0.106 12 0 "[ . 1 .]" 1
489 1 55 ALA MB 1 56 THR H 2.805 . 3.810 3.122 2.752 3.282 . 0 0 "[ . 1 .]" 1
490 1 55 ALA MB 1 58 THR MG 3.515 . 5.230 3.621 2.653 4.916 . 0 0 "[ . 1 .]" 1
491 1 55 ALA MB 1 59 PHE QD 3.125 . 4.450 2.246 1.780 3.779 0.020 15 0 "[ . 1 .]" 1
492 1 55 ALA MB 1 66 GLY H 2.630 . 3.460 2.815 2.033 3.508 0.048 14 0 "[ . 1 .]" 1
493 1 55 ALA MB 1 66 GLY HA3 2.890 . 3.980 3.440 2.914 3.985 0.005 9 0 "[ . 1 .]" 1
494 1 56 THR H 1 56 THR HB 2.800 . 3.800 2.823 2.474 3.612 . 0 0 "[ . 1 .]" 1
495 1 56 THR H 1 56 THR MG 2.970 . 4.140 3.179 2.277 3.741 . 0 0 "[ . 1 .]" 1
496 1 56 THR H 1 66 GLY HA2 3.650 . 5.500 4.629 3.552 5.585 0.085 4 0 "[ . 1 .]" 1
497 1 56 THR HA 1 56 THR MG 2.900 . 4.000 2.480 2.256 3.222 . 0 0 "[ . 1 .]" 1
498 1 56 THR HB 1 57 SER H 3.190 . 4.580 3.316 2.369 4.069 . 0 0 "[ . 1 .]" 1
499 1 57 SER H 1 57 SER HB2 2.900 . 4.000 2.557 2.449 2.725 . 0 0 "[ . 1 .]" 1
500 1 57 SER H 1 57 SER QB 2.630 . 3.460 2.416 2.265 2.541 . 0 0 "[ . 1 .]" 1
501 1 57 SER H 1 57 SER HB3 2.900 . 4.000 3.260 2.528 3.696 . 0 0 "[ . 1 .]" 1
502 1 57 SER QB 1 58 THR H 2.900 . 4.000 2.884 2.340 3.397 . 0 0 "[ . 1 .]" 1
503 1 57 SER HB2 1 58 THR H 3.220 . 4.640 3.308 2.368 4.284 . 0 0 "[ . 1 .]" 1
504 1 57 SER HB3 1 58 THR H 3.220 . 4.640 3.659 2.566 4.242 . 0 0 "[ . 1 .]" 1
505 1 58 THR H 1 58 THR HB 2.810 . 3.820 2.776 2.525 3.518 . 0 0 "[ . 1 .]" 1
506 1 58 THR H 1 58 THR MG 3.260 . 4.720 2.953 1.966 3.811 . 0 0 "[ . 1 .]" 1
507 1 58 THR HA 1 58 THR MG 2.675 . 3.550 2.666 2.182 3.242 . 0 0 "[ . 1 .]" 1
508 1 58 THR HA 1 59 PHE H 2.685 . 3.570 3.534 3.476 3.584 0.014 4 0 "[ . 1 .]" 1
509 1 58 THR MG 1 59 PHE H 3.050 . 4.300 3.214 2.275 4.157 . 0 0 "[ . 1 .]" 1
510 1 58 THR MG 1 59 PHE QD 3.225 . 4.650 3.289 2.598 4.595 . 0 0 "[ . 1 .]" 1
511 1 59 PHE H 1 59 PHE HB2 2.820 . 3.840 2.602 2.353 2.736 . 0 0 "[ . 1 .]" 1
512 1 59 PHE H 1 59 PHE QB 2.525 . 3.250 2.556 2.323 2.678 . 0 0 "[ . 1 .]" 1
513 1 59 PHE H 1 59 PHE HB3 2.820 . 3.840 3.739 3.584 3.818 . 0 0 "[ . 1 .]" 1
514 1 59 PHE H 1 59 PHE QD 3.080 . 4.360 3.329 2.666 3.589 . 0 0 "[ . 1 .]" 1
515 1 59 PHE H 1 60 THR H 3.145 . 4.490 4.359 4.249 4.461 . 0 0 "[ . 1 .]" 1
516 1 59 PHE HA 1 59 PHE QD 2.935 . 4.070 2.417 2.072 3.031 . 0 0 "[ . 1 .]" 1
517 1 59 PHE HA 1 59 PHE QE 3.175 . 4.550 4.483 4.347 4.573 0.023 8 0 "[ . 1 .]" 1
518 1 59 PHE HA 1 60 THR H 2.595 . 3.390 2.638 2.393 2.850 . 0 0 "[ . 1 .]" 1
519 1 59 PHE QB 1 60 THR H 2.730 . 3.660 1.979 1.783 2.286 0.017 9 0 "[ . 1 .]" 1
520 1 59 PHE QB 1 61 ASN H 3.095 . 4.390 2.944 2.567 3.487 . 0 0 "[ . 1 .]" 1
521 1 59 PHE QB 1 62 ILE HA 3.520 . 5.240 4.877 4.335 5.251 0.011 8 0 "[ . 1 .]" 1
522 1 59 PHE QB 1 62 ILE HG12 2.605 . 3.410 2.835 2.438 3.296 . 0 0 "[ . 1 .]" 1
523 1 59 PHE QB 1 62 ILE QG 2.540 . 3.280 2.312 1.996 2.641 . 0 0 "[ . 1 .]" 1
524 1 59 PHE QB 1 62 ILE HG13 3.105 . 4.410 2.456 2.086 2.780 . 0 0 "[ . 1 .]" 1
525 1 59 PHE QB 1 62 ILE MG 3.340 . 4.880 4.020 3.093 4.493 . 0 0 "[ . 1 .]" 1
526 1 59 PHE HB2 1 60 THR H 3.060 . 4.320 3.135 2.728 3.505 . 0 0 "[ . 1 .]" 1
527 1 59 PHE HB3 1 60 THR H 3.060 . 4.320 2.001 1.797 2.316 0.003 9 0 "[ . 1 .]" 1
528 1 59 PHE QD 1 60 THR MG 3.275 . 4.750 4.674 4.253 4.818 0.068 2 0 "[ . 1 .]" 1
529 1 59 PHE QD 1 62 ILE H 3.650 . 5.500 5.548 5.511 5.593 0.093 8 0 "[ . 1 .]" 1
530 1 59 PHE QD 1 62 ILE HG12 3.285 . 4.770 2.487 1.843 3.699 . 0 0 "[ . 1 .]" 1
531 1 59 PHE QD 1 62 ILE QG 3.235 . 4.670 2.381 1.825 3.449 . 0 0 "[ . 1 .]" 1
532 1 60 THR H 1 60 THR HB 2.870 . 3.940 3.330 2.879 3.630 . 0 0 "[ . 1 .]" 1
533 1 60 THR H 1 60 THR MG 2.880 . 3.960 2.345 2.017 2.714 . 0 0 "[ . 1 .]" 1
534 1 60 THR H 1 61 ASN H 2.640 . 3.480 2.245 1.831 3.100 . 0 0 "[ . 1 .]" 1
535 1 60 THR H 1 62 ILE HG12 3.650 . 5.500 5.266 4.650 5.535 0.035 2 0 "[ . 1 .]" 1
536 1 60 THR H 1 62 ILE QG 3.125 . 4.450 3.930 3.407 4.205 . 0 0 "[ . 1 .]" 1
537 1 60 THR H 1 62 ILE HG13 3.270 . 4.740 4.056 3.503 4.358 . 0 0 "[ . 1 .]" 1
538 1 60 THR HA 1 60 THR MG 2.590 . 3.380 2.849 2.227 3.243 . 0 0 "[ . 1 .]" 1
539 1 60 THR HA 1 61 ASN H 2.685 . 3.570 3.499 2.825 3.590 0.020 10 0 "[ . 1 .]" 1
540 1 60 THR MG 1 61 ASN H 3.065 . 4.330 2.958 2.015 4.357 0.027 6 0 "[ . 1 .]" 1
541 1 61 ASN H 1 61 ASN QB 2.775 . 3.750 2.862 2.722 3.409 . 0 0 "[ . 1 .]" 1
542 1 61 ASN H 1 62 ILE H 2.885 . 3.970 3.797 3.545 3.973 0.003 1 0 "[ . 1 .]" 1
543 1 61 ASN H 1 62 ILE HG12 3.425 . 5.050 5.042 4.866 5.101 0.051 9 0 "[ . 1 .]" 1
544 1 61 ASN H 1 62 ILE QG 3.360 . 4.920 3.357 3.247 3.524 . 0 0 "[ . 1 .]" 1
545 1 61 ASN H 1 62 ILE HG13 3.345 . 4.890 3.409 3.298 3.594 . 0 0 "[ . 1 .]" 1
546 1 61 ASN H 1 62 ILE MG 3.610 . 5.420 5.106 4.534 5.460 0.040 6 0 "[ . 1 .]" 1
547 1 61 ASN HA 1 61 ASN HD21 3.035 . 4.270 3.262 2.717 4.318 0.048 15 0 "[ . 1 .]" 1
548 1 61 ASN HA 1 61 ASN HD22 3.035 . 4.270 4.028 3.799 4.464 0.194 15 0 "[ . 1 .]" 1
549 1 61 ASN HA 1 62 ILE H 2.645 . 3.490 2.117 2.030 2.184 . 0 0 "[ . 1 .]" 1
550 1 61 ASN QB 1 62 ILE H 3.090 . 4.380 3.788 3.279 3.979 . 0 0 "[ . 1 .]" 1
551 1 62 ILE H 1 62 ILE HB 2.540 . 3.280 3.063 2.918 3.357 0.077 1 0 "[ . 1 .]" 1
552 1 62 ILE H 1 62 ILE MD 2.800 . 3.800 1.802 1.756 1.908 0.044 2 0 "[ . 1 .]" 1
553 1 62 ILE H 1 62 ILE HG12 3.060 . 4.320 4.043 3.849 4.186 . 0 0 "[ . 1 .]" 1
554 1 62 ILE H 1 62 ILE QG 2.680 . 3.560 2.938 2.570 3.124 . 0 0 "[ . 1 .]" 1
555 1 62 ILE H 1 62 ILE HG13 2.720 . 3.640 3.019 2.609 3.226 . 0 0 "[ . 1 .]" 1
556 1 62 ILE H 1 62 ILE MG 2.925 . 4.050 3.917 3.848 3.964 . 0 0 "[ . 1 .]" 1
557 1 62 ILE H 1 65 ARG HD2 3.470 . 5.140 4.581 3.308 5.202 0.062 4 0 "[ . 1 .]" 1
558 1 62 ILE H 1 65 ARG QD 3.035 . 4.270 3.853 3.244 4.351 0.081 11 0 "[ . 1 .]" 1
559 1 62 ILE H 1 65 ARG HD3 3.470 . 5.140 4.486 3.761 5.280 0.140 14 0 "[ . 1 .]" 1
560 1 62 ILE H 1 65 ARG QG 2.855 . 3.910 3.015 1.851 3.938 0.028 9 0 "[ . 1 .]" 1
561 1 62 ILE HA 1 62 ILE MD 2.730 . 3.660 3.606 3.540 3.692 0.032 15 0 "[ . 1 .]" 1
562 1 62 ILE HA 1 62 ILE QG 2.695 . 3.590 2.838 2.679 3.173 . 0 0 "[ . 1 .]" 1
563 1 62 ILE HA 1 62 ILE HG13 2.830 . 3.860 2.918 2.740 3.302 . 0 0 "[ . 1 .]" 1
564 1 62 ILE HA 1 62 ILE MG 2.730 . 3.660 2.223 2.153 2.272 . 0 0 "[ . 1 .]" 1
565 1 62 ILE HA 1 63 THR H 2.485 . 3.170 2.365 2.252 2.599 . 0 0 "[ . 1 .]" 1
566 1 62 ILE HA 1 63 THR MG 3.080 . 4.360 4.186 4.003 4.368 0.008 5 0 "[ . 1 .]" 1
567 1 62 ILE HB 1 62 ILE MD 2.470 . 3.140 2.331 2.267 2.406 . 0 0 "[ . 1 .]" 1
568 1 62 ILE HB 1 63 THR H 2.990 . 4.180 3.233 2.847 3.475 . 0 0 "[ . 1 .]" 1
569 1 62 ILE HB 1 63 THR HB 3.650 . 5.500 5.562 5.322 5.639 0.139 4 0 "[ . 1 .]" 1
570 1 62 ILE HB 1 65 ARG QG 3.145 . 4.490 3.756 2.395 4.484 . 0 0 "[ . 1 .]" 1
571 1 62 ILE HB 1 66 GLY H 2.985 . 4.170 3.643 2.902 3.961 . 0 0 "[ . 1 .]" 1
572 1 62 ILE MD 1 64 TYR H 3.235 . 4.670 4.661 4.468 4.743 0.073 9 0 "[ . 1 .]" 1
573 1 62 ILE MD 1 64 TYR QB 3.450 . 5.100 4.832 4.223 5.140 0.040 13 0 "[ . 1 .]" 1
574 1 62 ILE MD 1 65 ARG QB 2.905 . 4.010 3.206 2.792 3.591 . 0 0 "[ . 1 .]" 1
575 1 62 ILE MD 1 65 ARG QD 2.995 . 4.190 3.643 2.997 4.228 0.038 2 0 "[ . 1 .]" 1
576 1 62 ILE MD 1 65 ARG QG 2.560 . 3.320 2.264 1.830 2.803 . 0 0 "[ . 1 .]" 1
577 1 62 ILE MD 1 66 GLY H 3.405 . 5.010 3.217 2.008 4.148 . 0 0 "[ . 1 .]" 1
578 1 62 ILE QG 1 65 ARG H 3.335 . 4.870 3.834 3.484 4.330 . 0 0 "[ . 1 .]" 1
579 1 62 ILE QG 1 66 GLY H 3.435 . 5.070 4.227 3.596 4.611 . 0 0 "[ . 1 .]" 1
580 1 62 ILE HG12 1 62 ILE MG 2.555 . 3.310 2.186 2.149 2.248 . 0 0 "[ . 1 .]" 1
581 1 62 ILE HG12 1 65 ARG H 3.320 . 4.840 4.074 3.637 4.836 . 0 0 "[ . 1 .]" 1
582 1 62 ILE HG12 1 66 GLY H 3.230 . 4.660 4.364 3.690 4.752 0.092 9 0 "[ . 1 .]" 1
583 1 62 ILE HG12 1 67 THR MG 3.365 . 4.930 4.317 3.008 4.982 0.052 8 0 "[ . 1 .]" 1
584 1 62 ILE HG13 1 62 ILE MG 2.550 . 3.300 2.593 2.492 2.691 . 0 0 "[ . 1 .]" 1
585 1 62 ILE HG13 1 65 ARG H 3.395 . 4.990 4.700 4.458 4.991 0.001 8 0 "[ . 1 .]" 1
586 1 62 ILE MG 1 63 THR H 2.870 . 3.940 2.069 1.765 2.577 0.035 2 0 "[ . 1 .]" 1
587 1 62 ILE MG 1 63 THR HB 3.310 . 4.820 4.165 3.680 4.827 0.007 1 0 "[ . 1 .]" 1
588 1 62 ILE MG 1 63 THR MG 2.610 . 3.420 2.818 1.988 3.446 0.026 2 0 "[ . 1 .]" 1
589 1 62 ILE MG 1 65 ARG HA 3.045 . 4.290 3.846 3.370 4.284 . 0 0 "[ . 1 .]" 1
590 1 62 ILE MG 1 67 THR MG 2.830 . 3.860 3.028 1.900 3.845 . 0 0 "[ . 1 .]" 1
591 1 63 THR H 1 63 THR HB 2.560 . 3.320 2.549 2.332 3.419 0.099 2 0 "[ . 1 .]" 1
592 1 63 THR H 1 63 THR MG 2.805 . 3.810 2.198 2.048 2.382 . 0 0 "[ . 1 .]" 1
593 1 63 THR HA 1 63 THR MG 2.770 . 3.740 3.159 2.221 3.240 . 0 0 "[ . 1 .]" 1
594 1 63 THR HA 1 64 TYR QB 3.650 . 5.500 5.451 5.350 5.514 0.014 10 0 "[ . 1 .]" 1
595 1 63 THR HB 1 64 TYR H 2.880 . 3.960 3.907 2.968 4.012 0.052 13 0 "[ . 1 .]" 1
596 1 63 THR MG 1 64 TYR H 3.005 . 4.210 2.381 1.909 3.865 . 0 0 "[ . 1 .]" 1
597 1 64 TYR H 1 64 TYR QB 2.460 . 3.120 2.394 2.224 2.543 . 0 0 "[ . 1 .]" 1
598 1 64 TYR H 1 64 TYR QD 3.040 . 4.280 2.894 2.442 3.344 . 0 0 "[ . 1 .]" 1
599 1 64 TYR H 1 64 TYR QE 3.650 . 5.500 4.747 4.261 5.163 . 0 0 "[ . 1 .]" 1
600 1 64 TYR H 1 67 THR H 3.400 . 5.000 4.704 4.076 5.142 0.142 12 0 "[ . 1 .]" 1
601 1 64 TYR HA 1 64 TYR QD 2.845 . 3.890 2.623 2.288 2.971 . 0 0 "[ . 1 .]" 1
602 1 64 TYR HA 1 64 TYR QE 3.155 . 4.510 4.504 4.380 4.576 0.066 6 0 "[ . 1 .]" 1
603 1 64 TYR HA 1 67 THR H 3.335 . 4.870 4.890 4.382 5.030 0.160 11 0 "[ . 1 .]" 1
604 1 64 TYR QB 1 65 ARG H 2.915 . 4.030 2.811 2.353 3.339 . 0 0 "[ . 1 .]" 1
605 1 64 TYR QD 1 65 ARG H 3.255 . 4.710 4.321 3.812 4.619 . 0 0 "[ . 1 .]" 1
606 1 64 TYR QD 1 67 THR H 3.285 . 4.770 4.502 4.047 4.769 . 0 0 "[ . 1 .]" 1
607 1 65 ARG H 1 65 ARG HB2 2.955 . 4.110 3.052 2.756 3.516 . 0 0 "[ . 1 .]" 1
608 1 65 ARG H 1 65 ARG QB 2.610 . 3.420 2.922 2.661 3.331 . 0 0 "[ . 1 .]" 1
609 1 65 ARG H 1 65 ARG HB3 2.955 . 4.110 3.742 3.491 4.126 0.016 5 0 "[ . 1 .]" 1
610 1 65 ARG H 1 65 ARG QD 3.235 . 4.670 4.699 4.357 4.819 0.149 8 0 "[ . 1 .]" 1
611 1 65 ARG H 1 65 ARG QG 3.075 . 4.350 3.683 2.655 4.103 . 0 0 "[ . 1 .]" 1
612 1 65 ARG H 1 66 GLY H 3.195 . 4.590 2.914 2.484 3.290 . 0 0 "[ . 1 .]" 1
613 1 65 ARG HA 1 65 ARG QG 2.765 . 3.730 2.297 2.220 2.421 . 0 0 "[ . 1 .]" 1
614 1 65 ARG HA 1 66 GLY HA2 3.195 . 4.590 4.252 4.073 4.476 . 0 0 "[ . 1 .]" 1
615 1 65 ARG HA 1 66 GLY HA3 3.280 . 4.760 4.577 4.319 4.878 0.118 9 0 "[ . 1 .]" 1
616 1 65 ARG HA 1 67 THR H 3.140 . 4.480 4.230 3.928 4.521 0.041 13 0 "[ . 1 .]" 1
617 1 65 ARG HA 1 67 THR MG 3.300 . 4.800 4.638 3.909 4.945 0.145 6 0 "[ . 1 .]" 1
618 1 65 ARG QB 1 65 ARG QD 2.165 . 2.530 2.112 1.980 2.262 . 0 0 "[ . 1 .]" 1
619 1 65 ARG QB 1 66 GLY H 2.910 . 4.020 3.774 3.384 4.011 . 0 0 "[ . 1 .]" 1
620 1 65 ARG QB 1 66 GLY HA2 3.560 . 5.320 4.812 4.384 5.221 . 0 0 "[ . 1 .]" 1
621 1 65 ARG QB 1 66 GLY HA3 3.215 . 4.630 4.421 4.217 4.653 0.023 6 0 "[ . 1 .]" 1
622 1 65 ARG QB 1 67 THR H 3.570 . 5.340 5.020 4.707 5.223 . 0 0 "[ . 1 .]" 1
623 1 65 ARG HB2 1 65 ARG HD2 2.820 . 3.840 2.933 2.181 3.623 . 0 0 "[ . 1 .]" 1
624 1 65 ARG HB2 1 65 ARG HD3 2.820 . 3.840 2.672 2.205 3.711 . 0 0 "[ . 1 .]" 1
625 1 65 ARG HB2 1 66 GLY H 3.265 . 4.730 4.408 3.752 4.619 . 0 0 "[ . 1 .]" 1
626 1 65 ARG HB3 1 65 ARG HD2 2.820 . 3.840 3.324 2.450 3.864 0.024 1 0 "[ . 1 .]" 1
627 1 65 ARG HB3 1 65 ARG HD3 2.820 . 3.840 2.759 2.341 3.368 . 0 0 "[ . 1 .]" 1
628 1 65 ARG HB3 1 66 GLY H 3.265 . 4.730 4.126 3.547 4.420 . 0 0 "[ . 1 .]" 1
629 1 65 ARG QG 1 66 GLY HA2 3.650 . 5.500 4.883 4.199 5.660 0.160 5 0 "[ . 1 .]" 1
630 1 66 GLY HA2 1 67 THR H 2.680 . 3.560 3.321 2.951 3.545 . 0 0 "[ . 1 .]" 1
631 1 66 GLY HA3 1 67 THR MG 3.300 . 4.800 4.622 4.022 4.889 0.089 3 0 "[ . 1 .]" 1
632 1 67 THR H 1 67 THR MG 3.310 . 4.820 2.172 1.827 3.156 . 0 0 "[ . 1 .]" 1
633 1 67 THR HA 1 67 THR MG 2.550 . 3.300 3.043 2.307 3.260 . 0 0 "[ . 1 .]" 1
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