NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450854 |
2rn9   |
11019 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rn9
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 851
_Distance_constraint_stats_list.Viol_count 2672
_Distance_constraint_stats_list.Viol_total 3217.747
_Distance_constraint_stats_list.Viol_max 0.359
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0602
_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 4 THR 0.589 0.084 3 0 "[ . 1 . 2]"
1 5 MET 0.121 0.080 6 0 "[ . 1 . 2]"
1 6 PRO 0.640 0.103 11 0 "[ . 1 . 2]"
1 7 GLY 0.189 0.049 7 0 "[ . 1 . 2]"
1 8 LEU 1.746 0.160 11 0 "[ . 1 . 2]"
1 9 VAL 2.224 0.121 16 0 "[ . 1 . 2]"
1 10 ASP 1.317 0.095 20 0 "[ . 1 . 2]"
1 11 SER 0.072 0.038 2 0 "[ . 1 . 2]"
1 12 ASN 3.550 0.122 12 0 "[ . 1 . 2]"
1 13 PRO 3.106 0.106 7 0 "[ . 1 . 2]"
1 14 ALA 1.599 0.088 9 0 "[ . 1 . 2]"
1 16 PRO 0.794 0.066 14 0 "[ . 1 . 2]"
1 17 GLU 5.754 0.216 13 0 "[ . 1 . 2]"
1 18 SER 4.354 0.184 5 0 "[ . 1 . 2]"
1 19 GLN 2.437 0.184 5 0 "[ . 1 . 2]"
1 20 GLU 0.021 0.021 4 0 "[ . 1 . 2]"
1 21 LYS 0.116 0.040 20 0 "[ . 1 . 2]"
1 22 LYS 0.067 0.040 20 0 "[ . 1 . 2]"
1 28 CYS 0.637 0.058 18 0 "[ . 1 . 2]"
1 29 ALA 1.542 0.101 8 0 "[ . 1 . 2]"
1 30 CYS 5.317 0.156 5 0 "[ . 1 . 2]"
1 31 PRO 9.128 0.238 7 0 "[ . 1 . 2]"
1 32 GLU 3.906 0.156 16 0 "[ . 1 . 2]"
1 33 THR 3.532 0.156 16 0 "[ . 1 . 2]"
1 34 LYS 8.538 0.256 7 0 "[ . 1 . 2]"
1 35 LYS 14.446 0.221 4 0 "[ . 1 . 2]"
1 36 ALA 3.572 0.206 13 0 "[ . 1 . 2]"
1 37 ARG 25.807 0.359 12 0 "[ . 1 . 2]"
1 38 ASP 8.666 0.359 12 0 "[ . 1 . 2]"
1 39 ALA 2.032 0.073 10 0 "[ . 1 . 2]"
1 40 CYS 5.221 0.121 10 0 "[ . 1 . 2]"
1 41 ILE 8.876 0.232 15 0 "[ . 1 . 2]"
1 42 ILE 4.894 0.167 8 0 "[ . 1 . 2]"
1 43 GLU 6.197 0.158 16 0 "[ . 1 . 2]"
1 44 LYS 5.594 0.123 14 0 "[ . 1 . 2]"
1 45 GLY 1.832 0.096 3 0 "[ . 1 . 2]"
1 46 GLU 5.289 0.125 1 0 "[ . 1 . 2]"
1 47 GLU 3.331 0.118 1 0 "[ . 1 . 2]"
1 48 HIS 6.815 0.162 2 0 "[ . 1 . 2]"
1 49 CYS 10.100 0.223 8 0 "[ . 1 . 2]"
1 50 GLY 3.821 0.184 12 0 "[ . 1 . 2]"
1 51 HIS 1.628 0.093 3 0 "[ . 1 . 2]"
1 52 LEU 12.024 0.223 8 0 "[ . 1 . 2]"
1 53 ILE 8.928 0.198 7 0 "[ . 1 . 2]"
1 54 GLU 8.247 0.308 15 0 "[ . 1 . 2]"
1 55 ALA 2.261 0.112 14 0 "[ . 1 . 2]"
1 56 HIS 12.039 0.254 1 0 "[ . 1 . 2]"
1 57 LYS 13.886 0.308 15 0 "[ . 1 . 2]"
1 58 GLU 8.502 0.298 2 0 "[ . 1 . 2]"
1 59 CYS 5.876 0.265 3 0 "[ . 1 . 2]"
1 60 MET 1.407 0.064 5 0 "[ . 1 . 2]"
1 61 ARG 3.661 0.096 14 0 "[ . 1 . 2]"
1 62 ALA 0.769 0.080 16 0 "[ . 1 . 2]"
1 63 LEU 5.035 0.122 17 0 "[ . 1 . 2]"
1 64 GLY 1.768 0.122 17 0 "[ . 1 . 2]"
1 65 PHE 6.711 0.120 19 0 "[ . 1 . 2]"
1 66 LYS 7.697 0.210 20 0 "[ . 1 . 2]"
1 67 ILE 6.202 0.170 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 THR HA 1 4 THR HB . . 2.400 2.411 2.300 2.484 0.084 3 0 "[ . 1 . 2]" 1
2 1 4 THR HA 1 4 THR MG . . 3.530 2.713 2.283 3.320 . 0 0 "[ . 1 . 2]" 1
3 1 4 THR HB 1 5 MET H . . 3.820 3.119 2.075 3.900 0.080 6 0 "[ . 1 . 2]" 1
4 1 4 THR MG 1 5 MET H . . 4.440 3.707 3.171 4.170 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR MG 1 6 PRO QD . . 5.280 4.065 2.269 5.032 . 0 0 "[ . 1 . 2]" 1
6 1 5 MET H 1 6 PRO QD . . 5.210 3.101 2.479 4.409 . 0 0 "[ . 1 . 2]" 1
7 1 6 PRO HA 1 9 VAL HA . . 5.770 5.628 5.096 5.873 0.103 11 0 "[ . 1 . 2]" 1
8 1 6 PRO HB2 1 7 GLY QA . . 4.650 4.434 3.812 4.699 0.049 7 0 "[ . 1 . 2]" 1
9 1 6 PRO HB3 1 7 GLY QA . . 6.000 5.485 5.110 5.631 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY H 1 8 LEU H . . 4.210 3.005 2.259 4.229 0.019 11 0 "[ . 1 . 2]" 1
11 1 7 GLY QA 1 8 LEU H . . 3.410 2.766 2.209 2.987 . 0 0 "[ . 1 . 2]" 1
12 1 8 LEU H 1 8 LEU HB2 . . 3.980 3.891 3.182 4.008 0.028 13 0 "[ . 1 . 2]" 1
13 1 8 LEU H 1 8 LEU HB3 . . 4.090 3.540 3.317 4.065 . 0 0 "[ . 1 . 2]" 1
14 1 8 LEU H 1 8 LEU MD2 . . 4.510 2.591 2.040 4.539 0.029 20 0 "[ . 1 . 2]" 1
15 1 8 LEU H 1 8 LEU HG . . 3.630 3.384 2.677 3.757 0.127 20 0 "[ . 1 . 2]" 1
16 1 8 LEU HA 1 8 LEU HB2 . . 2.780 2.453 2.302 2.940 0.160 11 0 "[ . 1 . 2]" 1
17 1 8 LEU HA 1 9 VAL H . . 2.980 2.501 2.167 2.833 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU HB2 1 8 LEU MD1 . . 2.950 2.282 2.189 2.570 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU HB2 1 9 VAL MG1 . . 4.300 4.181 3.416 4.421 0.121 16 0 "[ . 1 . 2]" 1
20 1 8 LEU HB2 1 10 ASP H . . 3.630 3.035 2.447 3.666 0.036 20 0 "[ . 1 . 2]" 1
21 1 8 LEU HB3 1 8 LEU MD2 . . 3.560 2.379 2.218 2.556 . 0 0 "[ . 1 . 2]" 1
22 1 8 LEU HB3 1 9 VAL H . . 4.020 3.547 2.060 4.021 0.001 4 0 "[ . 1 . 2]" 1
23 1 8 LEU HB3 1 10 ASP H . . 4.510 4.160 1.976 4.563 0.053 2 0 "[ . 1 . 2]" 1
24 1 8 LEU MD1 1 10 ASP H . . 5.050 3.050 1.983 4.742 . 0 0 "[ . 1 . 2]" 1
25 1 8 LEU HG 1 10 ASP H . . 3.450 2.653 1.819 3.545 0.095 20 0 "[ . 1 . 2]" 1
26 1 9 VAL H 1 9 VAL HB . . 3.580 3.205 2.263 3.697 0.117 14 0 "[ . 1 . 2]" 1
27 1 9 VAL H 1 9 VAL MG1 . . 3.970 2.594 1.709 3.998 0.028 6 0 "[ . 1 . 2]" 1
28 1 9 VAL H 1 9 VAL QG . . 3.860 2.207 1.707 3.069 . 0 0 "[ . 1 . 2]" 1
29 1 9 VAL HA 1 10 ASP H . . 3.310 3.093 2.095 3.365 0.055 1 0 "[ . 1 . 2]" 1
30 1 9 VAL HB 1 10 ASP H . . 4.660 4.280 3.863 4.486 . 0 0 "[ . 1 . 2]" 1
31 1 9 VAL HB 1 10 ASP HA . . 6.000 5.799 4.387 6.082 0.082 18 0 "[ . 1 . 2]" 1
32 1 9 VAL QG 1 10 ASP H . . 3.790 3.096 2.565 3.662 . 0 0 "[ . 1 . 2]" 1
33 1 9 VAL QG 1 10 ASP HA . . 5.480 4.009 3.173 4.720 . 0 0 "[ . 1 . 2]" 1
34 1 9 VAL QG 1 10 ASP HB2 . . 5.340 4.269 3.052 5.041 . 0 0 "[ . 1 . 2]" 1
35 1 10 ASP H 1 10 ASP HB2 . . 4.170 2.844 2.113 3.451 . 0 0 "[ . 1 . 2]" 1
36 1 10 ASP HB3 1 11 SER H . . 5.500 3.699 2.506 4.598 . 0 0 "[ . 1 . 2]" 1
37 1 10 ASP HB3 1 11 SER QB . . 5.080 4.693 3.450 5.118 0.038 2 0 "[ . 1 . 2]" 1
38 1 12 ASN H 1 13 PRO HD2 . . 5.500 5.287 5.064 5.546 0.046 6 0 "[ . 1 . 2]" 1
39 1 12 ASN HA 1 12 ASN HD21 . . 3.360 2.251 1.787 3.126 . 0 0 "[ . 1 . 2]" 1
40 1 12 ASN HA 1 12 ASN HD22 . . 3.220 3.302 3.271 3.342 0.122 12 0 "[ . 1 . 2]" 1
41 1 12 ASN HA 1 13 PRO HA . . 4.290 4.288 4.133 4.370 0.080 18 0 "[ . 1 . 2]" 1
42 1 12 ASN HA 1 13 PRO HD3 . . 2.970 2.155 2.000 2.498 . 0 0 "[ . 1 . 2]" 1
43 1 12 ASN HA 1 13 PRO QG . . 5.630 3.923 3.646 4.378 . 0 0 "[ . 1 . 2]" 1
44 1 12 ASN HB2 1 13 PRO HD3 . . 3.880 3.946 3.917 3.986 0.106 7 0 "[ . 1 . 2]" 1
45 1 12 ASN HB3 1 13 PRO HD2 . . 6.000 2.510 2.125 3.667 . 0 0 "[ . 1 . 2]" 1
46 1 12 ASN HB3 1 13 PRO HD3 . . 3.830 2.866 2.438 3.745 . 0 0 "[ . 1 . 2]" 1
47 1 12 ASN HD21 1 13 PRO HD2 . . 5.420 3.955 2.976 4.799 . 0 0 "[ . 1 . 2]" 1
48 1 12 ASN HD22 1 13 PRO HD2 . . 5.500 4.611 3.415 5.450 . 0 0 "[ . 1 . 2]" 1
49 1 13 PRO HA 1 14 ALA H . . 2.460 2.171 2.074 2.337 . 0 0 "[ . 1 . 2]" 1
50 1 13 PRO HA 1 14 ALA MB . . 4.050 3.993 3.759 4.129 0.079 6 0 "[ . 1 . 2]" 1
51 1 13 PRO HB2 1 14 ALA H . . 4.090 3.834 2.790 4.153 0.063 6 0 "[ . 1 . 2]" 1
52 1 13 PRO HD2 1 14 ALA MB . . 6.000 4.541 4.158 5.050 . 0 0 "[ . 1 . 2]" 1
53 1 13 PRO HD3 1 14 ALA MB . . 5.540 5.565 5.445 5.628 0.088 9 0 "[ . 1 . 2]" 1
54 1 14 ALA H 1 14 ALA MB . . 3.140 2.683 2.374 3.142 0.002 6 0 "[ . 1 . 2]" 1
55 1 14 ALA MB 1 18 SER HB3 . . 6.000 5.833 3.780 6.068 0.068 11 0 "[ . 1 . 2]" 1
56 1 16 PRO HA 1 17 GLU H . . 2.830 2.599 2.033 2.891 0.061 3 0 "[ . 1 . 2]" 1
57 1 16 PRO HB3 1 17 GLU H . . 4.580 4.469 3.293 4.646 0.066 14 0 "[ . 1 . 2]" 1
58 1 16 PRO HD3 1 17 GLU H . . 5.140 4.776 4.426 5.198 0.058 9 0 "[ . 1 . 2]" 1
59 1 17 GLU H 1 17 GLU HB2 . . 3.420 3.199 2.248 3.584 0.164 19 0 "[ . 1 . 2]" 1
60 1 17 GLU H 1 17 GLU HB3 . . 3.710 3.007 2.426 3.736 0.026 9 0 "[ . 1 . 2]" 1
61 1 17 GLU H 1 17 GLU HG2 . . 4.860 3.876 1.955 4.920 0.060 1 0 "[ . 1 . 2]" 1
62 1 17 GLU H 1 17 GLU QG . . 5.110 3.470 1.940 4.265 . 0 0 "[ . 1 . 2]" 1
63 1 17 GLU HA 1 17 GLU HB2 . . 3.010 2.446 2.256 2.889 . 0 0 "[ . 1 . 2]" 1
64 1 17 GLU HA 1 17 GLU HB3 . . 2.700 2.756 2.413 2.913 0.213 18 0 "[ . 1 . 2]" 1
65 1 17 GLU HA 1 17 GLU HG2 . . 3.840 3.112 2.272 3.856 0.016 3 0 "[ . 1 . 2]" 1
66 1 17 GLU HA 1 17 GLU QG . . 3.270 2.577 2.019 3.343 0.073 19 0 "[ . 1 . 2]" 1
67 1 17 GLU HA 1 17 GLU HG3 . . 3.970 2.865 2.070 3.731 . 0 0 "[ . 1 . 2]" 1
68 1 17 GLU HA 1 18 SER H . . 3.540 2.881 2.103 3.565 0.025 11 0 "[ . 1 . 2]" 1
69 1 17 GLU HB2 1 18 SER H . . 5.500 4.121 3.532 4.596 . 0 0 "[ . 1 . 2]" 1
70 1 17 GLU HB3 1 17 GLU HG2 . . 2.620 2.487 2.344 2.836 0.216 13 0 "[ . 1 . 2]" 1
71 1 17 GLU HG2 1 18 SER HA . . 5.100 4.280 3.138 5.152 0.052 13 0 "[ . 1 . 2]" 1
72 1 17 GLU HG2 1 18 SER HB3 . . 5.440 5.355 4.703 5.604 0.164 5 0 "[ . 1 . 2]" 1
73 1 18 SER HA 1 18 SER HB2 . . 2.720 2.699 2.367 2.896 0.176 16 0 "[ . 1 . 2]" 1
74 1 18 SER HB2 1 19 GLN H . . 5.260 3.405 2.011 4.650 . 0 0 "[ . 1 . 2]" 1
75 1 18 SER HB2 1 19 GLN HA . . 5.520 5.050 3.870 5.704 0.184 5 0 "[ . 1 . 2]" 1
76 1 18 SER HB2 1 19 GLN HB3 . . 5.330 5.036 3.493 5.428 0.098 6 0 "[ . 1 . 2]" 1
77 1 18 SER HB3 1 19 GLN H . . 5.030 3.363 2.226 4.518 . 0 0 "[ . 1 . 2]" 1
78 1 18 SER HB3 1 19 GLN HA . . 5.610 4.752 3.982 5.690 0.080 10 0 "[ . 1 . 2]" 1
79 1 18 SER HB3 1 19 GLN HB3 . . 5.180 4.605 3.251 5.257 0.077 6 0 "[ . 1 . 2]" 1
80 1 19 GLN H 1 19 GLN HB3 . . 3.680 3.173 2.281 3.710 0.030 6 0 "[ . 1 . 2]" 1
81 1 19 GLN HA 1 19 GLN HB2 . . 2.820 2.525 2.254 2.901 0.081 10 0 "[ . 1 . 2]" 1
82 1 19 GLN HA 1 19 GLN HB3 . . 2.930 2.730 2.329 2.992 0.062 13 0 "[ . 1 . 2]" 1
83 1 19 GLN HA 1 19 GLN QG . . 3.450 2.806 2.114 3.475 0.025 19 0 "[ . 1 . 2]" 1
84 1 19 GLN HA 1 20 GLU H . . 3.410 2.607 2.067 3.378 . 0 0 "[ . 1 . 2]" 1
85 1 19 GLN HB2 1 19 GLN QG . . 2.400 2.370 2.164 2.477 0.077 1 0 "[ . 1 . 2]" 1
86 1 19 GLN HB2 1 20 GLU H . . 5.060 4.127 2.784 4.682 . 0 0 "[ . 1 . 2]" 1
87 1 20 GLU H 1 20 GLU QB . . 3.910 2.645 2.068 3.196 . 0 0 "[ . 1 . 2]" 1
88 1 20 GLU H 1 20 GLU QG . . 4.300 3.371 2.034 4.288 . 0 0 "[ . 1 . 2]" 1
89 1 20 GLU HA 1 20 GLU QB . . 2.570 2.305 2.115 2.567 . 0 0 "[ . 1 . 2]" 1
90 1 20 GLU HA 1 21 LYS H . . 3.230 2.525 2.091 3.217 . 0 0 "[ . 1 . 2]" 1
91 1 20 GLU HA 1 21 LYS QB . . 5.430 4.388 3.872 5.101 . 0 0 "[ . 1 . 2]" 1
92 1 20 GLU QB 1 20 GLU QG . . 2.400 2.103 1.980 2.131 . 0 0 "[ . 1 . 2]" 1
93 1 20 GLU QG 1 21 LYS H . . 4.430 2.730 1.672 4.142 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLU QG 1 21 LYS HA . . 4.710 4.239 3.167 4.731 0.021 4 0 "[ . 1 . 2]" 1
95 1 21 LYS H 1 21 LYS QG . . 4.130 3.152 1.898 4.153 0.023 7 0 "[ . 1 . 2]" 1
96 1 21 LYS HA 1 21 LYS QB . . 2.670 2.369 2.149 2.553 . 0 0 "[ . 1 . 2]" 1
97 1 21 LYS HA 1 21 LYS QG . . 3.560 2.678 2.166 3.408 . 0 0 "[ . 1 . 2]" 1
98 1 21 LYS HA 1 22 LYS H . . 3.040 2.347 2.073 3.080 0.040 20 0 "[ . 1 . 2]" 1
99 1 21 LYS QB 1 22 LYS H . . 4.040 3.288 1.976 4.057 0.017 16 0 "[ . 1 . 2]" 1
100 1 28 CYS HA 1 31 PRO HD3 . . 3.630 3.582 2.976 3.688 0.058 18 0 "[ . 1 . 2]" 1
101 1 28 CYS QB 1 29 ALA MB . . 5.250 4.480 3.552 5.096 . 0 0 "[ . 1 . 2]" 1
102 1 28 CYS QB 1 63 LEU MD1 . . 4.730 4.416 3.368 4.771 0.041 17 0 "[ . 1 . 2]" 1
103 1 28 CYS QB 1 63 LEU MD2 . . 4.790 4.233 3.538 4.815 0.025 2 0 "[ . 1 . 2]" 1
104 1 29 ALA H 1 31 PRO HD3 . . 5.080 3.796 2.691 4.759 . 0 0 "[ . 1 . 2]" 1
105 1 29 ALA HA 1 30 CYS H . . 3.190 2.564 2.361 2.943 . 0 0 "[ . 1 . 2]" 1
106 1 29 ALA HA 1 30 CYS HB3 . . 6.000 5.425 5.097 5.762 . 0 0 "[ . 1 . 2]" 1
107 1 29 ALA HA 1 31 PRO HD2 . . 5.890 5.051 4.705 5.411 . 0 0 "[ . 1 . 2]" 1
108 1 29 ALA HA 1 31 PRO HD3 . . 5.410 4.723 4.358 5.144 . 0 0 "[ . 1 . 2]" 1
109 1 29 ALA HA 1 63 LEU MD1 . . 4.410 2.367 1.921 3.274 . 0 0 "[ . 1 . 2]" 1
110 1 29 ALA HA 1 63 LEU MD2 . . 4.940 2.931 2.227 3.844 . 0 0 "[ . 1 . 2]" 1
111 1 29 ALA MB 1 30 CYS H . . 4.090 3.721 3.666 3.763 . 0 0 "[ . 1 . 2]" 1
112 1 29 ALA MB 1 30 CYS HB3 . . 5.420 5.491 5.446 5.521 0.101 8 0 "[ . 1 . 2]" 1
113 1 29 ALA MB 1 31 PRO HD3 . . 4.470 4.051 3.102 4.484 0.014 2 0 "[ . 1 . 2]" 1
114 1 29 ALA MB 1 63 LEU HG . . 5.110 4.370 2.671 5.156 0.046 11 0 "[ . 1 . 2]" 1
115 1 29 ALA MB 1 65 PHE QD . . 6.000 4.710 4.145 5.465 . 0 0 "[ . 1 . 2]" 1
116 1 29 ALA MB 1 65 PHE QE . . 3.850 2.868 2.212 3.746 . 0 0 "[ . 1 . 2]" 1
117 1 29 ALA MB 1 65 PHE HZ . . 4.050 2.634 2.123 3.803 . 0 0 "[ . 1 . 2]" 1
118 1 30 CYS H 1 31 PRO HD2 . . 4.300 2.842 2.646 3.151 . 0 0 "[ . 1 . 2]" 1
119 1 30 CYS H 1 31 PRO HD3 . . 4.180 3.317 2.995 3.549 . 0 0 "[ . 1 . 2]" 1
120 1 30 CYS H 1 31 PRO QG . . 5.500 4.665 4.509 4.925 . 0 0 "[ . 1 . 2]" 1
121 1 30 CYS H 1 63 LEU MD1 . . 5.500 3.967 3.053 5.360 . 0 0 "[ . 1 . 2]" 1
122 1 30 CYS H 1 63 LEU MD2 . . 4.740 3.736 3.314 4.407 . 0 0 "[ . 1 . 2]" 1
123 1 30 CYS HA 1 31 PRO HD2 . . 3.500 2.155 2.021 2.328 . 0 0 "[ . 1 . 2]" 1
124 1 30 CYS HA 1 31 PRO HD3 . . 3.820 3.494 3.281 3.639 . 0 0 "[ . 1 . 2]" 1
125 1 30 CYS HA 1 31 PRO QG . . 5.150 3.840 3.689 4.061 . 0 0 "[ . 1 . 2]" 1
126 1 30 CYS HA 1 32 GLU HG2 . . 4.300 4.291 4.100 4.376 0.076 6 0 "[ . 1 . 2]" 1
127 1 30 CYS HA 1 32 GLU HG3 . . 3.920 3.794 3.137 4.023 0.103 8 0 "[ . 1 . 2]" 1
128 1 30 CYS HB2 1 31 PRO HA . . 5.990 5.275 5.064 5.424 . 0 0 "[ . 1 . 2]" 1
129 1 30 CYS HB2 1 31 PRO HD2 . . 4.420 4.550 4.530 4.576 0.156 5 0 "[ . 1 . 2]" 1
130 1 30 CYS HB2 1 33 THR HB . . 4.930 4.883 4.514 4.992 0.062 17 0 "[ . 1 . 2]" 1
131 1 30 CYS HB2 1 33 THR MG . . 4.910 3.933 3.575 4.492 . 0 0 "[ . 1 . 2]" 1
132 1 30 CYS HB2 1 59 CYS HB3 . . 5.050 3.774 3.442 4.036 . 0 0 "[ . 1 . 2]" 1
133 1 30 CYS HB3 1 31 PRO HA . . 6.000 5.427 5.305 5.562 . 0 0 "[ . 1 . 2]" 1
134 1 30 CYS HB3 1 33 THR HB . . 5.870 4.012 3.875 4.182 . 0 0 "[ . 1 . 2]" 1
135 1 30 CYS HB3 1 33 THR MG . . 5.170 2.527 2.154 3.176 . 0 0 "[ . 1 . 2]" 1
136 1 30 CYS HB3 1 34 LYS H . . 3.950 3.486 3.177 3.785 . 0 0 "[ . 1 . 2]" 1
137 1 30 CYS HB3 1 63 LEU MD2 . . 5.580 5.461 5.059 5.616 0.036 7 0 "[ . 1 . 2]" 1
138 1 31 PRO HA 1 34 LYS H . . 4.360 3.966 3.682 4.203 . 0 0 "[ . 1 . 2]" 1
139 1 31 PRO HA 1 34 LYS HB2 . . 4.210 4.230 3.990 4.448 0.238 7 0 "[ . 1 . 2]" 1
140 1 31 PRO HA 1 34 LYS HB3 . . 4.750 2.904 2.477 4.713 . 0 0 "[ . 1 . 2]" 1
141 1 31 PRO HA 1 34 LYS HD3 . . 5.500 4.675 3.005 5.533 0.033 5 0 "[ . 1 . 2]" 1
142 1 31 PRO HA 1 34 LYS QE . . 4.750 4.201 1.843 4.794 0.044 19 0 "[ . 1 . 2]" 1
143 1 31 PRO HA 1 34 LYS HG2 . . 5.900 5.045 2.430 5.569 . 0 0 "[ . 1 . 2]" 1
144 1 31 PRO HA 1 35 LYS H . . 4.220 3.176 2.917 3.367 . 0 0 "[ . 1 . 2]" 1
145 1 31 PRO HA 1 35 LYS HB3 . . 4.010 4.144 4.097 4.192 0.182 20 0 "[ . 1 . 2]" 1
146 1 31 PRO HA 1 35 LYS HG3 . . 6.000 6.059 5.928 6.165 0.165 9 0 "[ . 1 . 2]" 1
147 1 31 PRO HB2 1 32 GLU HA . . 4.600 4.025 3.855 4.510 . 0 0 "[ . 1 . 2]" 1
148 1 31 PRO HB2 1 33 THR H . . 5.270 5.309 5.269 5.404 0.134 7 0 "[ . 1 . 2]" 1
149 1 31 PRO HB3 1 35 LYS QD . . 5.990 5.259 4.380 6.051 0.061 3 0 "[ . 1 . 2]" 1
150 1 31 PRO HD2 1 32 GLU H . . 5.340 3.390 2.910 3.636 . 0 0 "[ . 1 . 2]" 1
151 1 31 PRO HD3 1 32 GLU H . . 4.380 4.323 4.063 4.418 0.038 3 0 "[ . 1 . 2]" 1
152 1 31 PRO QG 1 32 GLU H . . 3.610 2.318 2.048 2.914 . 0 0 "[ . 1 . 2]" 1
153 1 32 GLU H 1 32 GLU HB2 . . 3.890 3.590 3.192 3.695 . 0 0 "[ . 1 . 2]" 1
154 1 32 GLU H 1 32 GLU HB3 . . 3.540 3.174 2.953 3.488 . 0 0 "[ . 1 . 2]" 1
155 1 32 GLU H 1 32 GLU HG2 . . 4.770 2.005 1.795 2.364 . 0 0 "[ . 1 . 2]" 1
156 1 32 GLU H 1 32 GLU HG3 . . 4.790 2.642 2.220 2.863 . 0 0 "[ . 1 . 2]" 1
157 1 32 GLU H 1 33 THR H . . 4.250 2.936 2.348 3.112 . 0 0 "[ . 1 . 2]" 1
158 1 32 GLU H 1 33 THR MG . . 4.570 4.339 3.791 4.579 0.009 11 0 "[ . 1 . 2]" 1
159 1 32 GLU HA 1 35 LYS H . . 4.370 4.391 4.012 4.475 0.105 11 0 "[ . 1 . 2]" 1
160 1 32 GLU HA 1 35 LYS HB3 . . 4.430 3.213 2.828 3.663 . 0 0 "[ . 1 . 2]" 1
161 1 32 GLU HB2 1 33 THR H . . 4.660 3.084 2.741 3.494 . 0 0 "[ . 1 . 2]" 1
162 1 32 GLU HB3 1 33 THR H . . 4.290 4.036 3.897 4.178 . 0 0 "[ . 1 . 2]" 1
163 1 32 GLU HB3 1 33 THR HA . . 4.960 5.068 4.967 5.116 0.156 16 0 "[ . 1 . 2]" 1
164 1 32 GLU HB3 1 33 THR MG . . 5.500 4.529 4.336 4.638 . 0 0 "[ . 1 . 2]" 1
165 1 33 THR H 1 33 THR MG . . 4.080 2.243 2.072 2.457 . 0 0 "[ . 1 . 2]" 1
166 1 33 THR H 1 34 LYS H . . 4.100 2.750 2.579 2.926 . 0 0 "[ . 1 . 2]" 1
167 1 33 THR HA 1 33 THR MG . . 3.090 2.409 2.319 2.516 . 0 0 "[ . 1 . 2]" 1
168 1 33 THR HA 1 36 ALA H . . 3.930 3.848 3.675 3.973 0.043 5 0 "[ . 1 . 2]" 1
169 1 33 THR HA 1 36 ALA MB . . 3.270 2.774 2.569 2.996 . 0 0 "[ . 1 . 2]" 1
170 1 33 THR HA 1 56 HIS HB3 . . 6.000 4.324 3.855 5.061 . 0 0 "[ . 1 . 2]" 1
171 1 33 THR HA 1 56 HIS HE1 . . 4.720 3.381 3.043 3.754 . 0 0 "[ . 1 . 2]" 1
172 1 33 THR HB 1 56 HIS H . . 5.190 4.647 4.321 4.930 . 0 0 "[ . 1 . 2]" 1
173 1 33 THR HB 1 56 HIS HA . . 3.210 2.440 2.177 2.821 . 0 0 "[ . 1 . 2]" 1
174 1 33 THR HB 1 56 HIS HB2 . . 4.190 3.825 3.540 4.217 0.027 7 0 "[ . 1 . 2]" 1
175 1 33 THR HB 1 56 HIS HB3 . . 3.630 2.504 2.195 3.099 . 0 0 "[ . 1 . 2]" 1
176 1 33 THR MG 1 56 HIS HA . . 4.000 3.027 2.481 3.488 . 0 0 "[ . 1 . 2]" 1
177 1 33 THR MG 1 56 HIS HB2 . . 5.690 5.095 4.704 5.469 . 0 0 "[ . 1 . 2]" 1
178 1 33 THR MG 1 56 HIS HB3 . . 4.910 4.044 3.772 4.477 . 0 0 "[ . 1 . 2]" 1
179 1 33 THR MG 1 59 CYS H . . 4.760 4.443 4.149 4.783 0.023 7 0 "[ . 1 . 2]" 1
180 1 33 THR MG 1 59 CYS HB2 . . 3.660 2.558 2.277 2.868 . 0 0 "[ . 1 . 2]" 1
181 1 33 THR MG 1 59 CYS HB3 . . 4.170 2.866 2.504 3.262 . 0 0 "[ . 1 . 2]" 1
182 1 34 LYS H 1 34 LYS HB2 . . 3.400 2.532 2.303 3.541 0.141 18 0 "[ . 1 . 2]" 1
183 1 34 LYS H 1 34 LYS HB3 . . 3.940 2.294 2.108 3.011 . 0 0 "[ . 1 . 2]" 1
184 1 34 LYS H 1 34 LYS HG2 . . 4.720 4.343 2.829 4.582 . 0 0 "[ . 1 . 2]" 1
185 1 34 LYS H 1 34 LYS HG3 . . 4.800 4.072 2.109 4.440 . 0 0 "[ . 1 . 2]" 1
186 1 34 LYS H 1 35 LYS H . . 3.690 2.919 2.787 3.035 . 0 0 "[ . 1 . 2]" 1
187 1 34 LYS H 1 36 ALA H . . 5.060 4.360 4.086 4.588 . 0 0 "[ . 1 . 2]" 1
188 1 34 LYS HA 1 34 LYS HD3 . . 4.110 3.851 3.497 4.296 0.186 18 0 "[ . 1 . 2]" 1
189 1 34 LYS HA 1 34 LYS HG2 . . 3.590 3.086 2.917 3.846 0.256 7 0 "[ . 1 . 2]" 1
190 1 34 LYS HA 1 36 ALA H . . 5.160 4.783 4.636 4.897 . 0 0 "[ . 1 . 2]" 1
191 1 34 LYS HA 1 37 ARG H . . 4.100 3.635 3.390 3.772 . 0 0 "[ . 1 . 2]" 1
192 1 34 LYS HA 1 37 ARG HB2 . . 3.810 2.759 2.621 2.922 . 0 0 "[ . 1 . 2]" 1
193 1 34 LYS HA 1 37 ARG HB3 . . 3.180 3.116 2.908 3.214 0.034 11 0 "[ . 1 . 2]" 1
194 1 34 LYS HA 1 37 ARG HG2 . . 5.310 5.392 5.334 5.455 0.145 9 0 "[ . 1 . 2]" 1
195 1 34 LYS HA 1 38 ASP H . . 4.400 4.038 3.790 4.222 . 0 0 "[ . 1 . 2]" 1
196 1 34 LYS HB3 1 35 LYS H . . 4.780 2.259 1.997 4.029 . 0 0 "[ . 1 . 2]" 1
197 1 34 LYS HB3 1 35 LYS HA . . 4.810 4.476 4.249 4.962 0.152 7 0 "[ . 1 . 2]" 1
198 1 34 LYS HD2 1 34 LYS QE . . 2.640 2.175 2.090 2.396 . 0 0 "[ . 1 . 2]" 1
199 1 34 LYS HD2 1 35 LYS H . . 5.320 2.642 2.232 4.100 . 0 0 "[ . 1 . 2]" 1
200 1 34 LYS HD3 1 35 LYS H . . 4.130 3.114 2.208 4.133 0.003 7 0 "[ . 1 . 2]" 1
201 1 34 LYS HD3 1 35 LYS HA . . 3.770 2.810 2.297 3.825 0.055 18 0 "[ . 1 . 2]" 1
202 1 34 LYS QE 1 34 LYS HG2 . . 3.820 3.013 2.670 3.294 . 0 0 "[ . 1 . 2]" 1
203 1 34 LYS QE 1 35 LYS H . . 4.050 3.964 3.157 4.164 0.114 13 0 "[ . 1 . 2]" 1
204 1 34 LYS QE 1 35 LYS QE . . 2.430 2.455 2.122 2.535 0.105 6 0 "[ . 1 . 2]" 1
205 1 34 LYS HG2 1 35 LYS H . . 4.460 4.081 3.565 4.306 . 0 0 "[ . 1 . 2]" 1
206 1 34 LYS HG3 1 35 LYS H . . 3.700 3.653 1.880 3.893 0.193 19 0 "[ . 1 . 2]" 1
207 1 34 LYS HG3 1 35 LYS HA . . 6.000 5.018 3.731 5.442 . 0 0 "[ . 1 . 2]" 1
208 1 35 LYS H 1 35 LYS HB2 . . 3.450 2.103 1.965 2.240 . 0 0 "[ . 1 . 2]" 1
209 1 35 LYS H 1 35 LYS HB3 . . 3.140 2.599 2.458 2.803 . 0 0 "[ . 1 . 2]" 1
210 1 35 LYS H 1 35 LYS HG2 . . 5.110 4.470 4.306 4.621 . 0 0 "[ . 1 . 2]" 1
211 1 35 LYS H 1 35 LYS HG3 . . 5.030 4.412 4.079 4.527 . 0 0 "[ . 1 . 2]" 1
212 1 35 LYS H 1 36 ALA H . . 3.570 2.859 2.437 3.002 . 0 0 "[ . 1 . 2]" 1
213 1 35 LYS H 1 36 ALA MB . . 5.380 4.560 3.997 4.775 . 0 0 "[ . 1 . 2]" 1
214 1 35 LYS HA 1 35 LYS HB2 . . 2.960 2.538 2.361 2.660 . 0 0 "[ . 1 . 2]" 1
215 1 35 LYS HA 1 35 LYS QD . . 3.630 2.864 2.112 3.782 0.152 14 0 "[ . 1 . 2]" 1
216 1 35 LYS HA 1 35 LYS HG2 . . 4.020 3.726 3.205 3.949 . 0 0 "[ . 1 . 2]" 1
217 1 35 LYS HA 1 38 ASP H . . 4.040 3.780 3.442 4.052 0.012 4 0 "[ . 1 . 2]" 1
218 1 35 LYS HA 1 38 ASP QB . . 3.440 2.889 2.404 3.468 0.028 14 0 "[ . 1 . 2]" 1
219 1 35 LYS HA 1 39 ALA H . . 4.510 4.372 3.980 4.539 0.029 19 0 "[ . 1 . 2]" 1
220 1 35 LYS HB2 1 36 ALA H . . 3.440 3.592 3.533 3.646 0.206 13 0 "[ . 1 . 2]" 1
221 1 35 LYS HB3 1 36 ALA H . . 3.700 2.489 2.254 2.847 . 0 0 "[ . 1 . 2]" 1
222 1 35 LYS QD 1 35 LYS HG3 . . 2.400 2.302 2.142 2.489 0.089 19 0 "[ . 1 . 2]" 1
223 1 35 LYS QE 1 35 LYS HG3 . . 2.950 2.666 2.144 3.171 0.221 4 0 "[ . 1 . 2]" 1
224 1 35 LYS HG2 1 36 ALA H . . 4.830 4.492 3.891 4.886 0.056 5 0 "[ . 1 . 2]" 1
225 1 36 ALA H 1 36 ALA MB . . 2.960 2.312 2.212 2.349 . 0 0 "[ . 1 . 2]" 1
226 1 36 ALA H 1 37 ARG H . . 3.650 2.880 2.803 2.980 . 0 0 "[ . 1 . 2]" 1
227 1 36 ALA H 1 38 ASP H . . 5.170 4.420 4.163 4.600 . 0 0 "[ . 1 . 2]" 1
228 1 36 ALA H 1 52 LEU QD . . 5.230 5.083 4.886 5.236 0.006 16 0 "[ . 1 . 2]" 1
229 1 36 ALA H 1 56 HIS HD2 . . 5.500 5.487 5.386 5.540 0.040 12 0 "[ . 1 . 2]" 1
230 1 36 ALA HA 1 38 ASP H . . 5.060 4.544 4.339 4.680 . 0 0 "[ . 1 . 2]" 1
231 1 36 ALA HA 1 52 LEU QD . . 5.420 4.068 3.899 4.320 . 0 0 "[ . 1 . 2]" 1
232 1 36 ALA MB 1 37 ARG H . . 3.510 2.676 2.547 2.836 . 0 0 "[ . 1 . 2]" 1
233 1 36 ALA MB 1 52 LEU QD . . 3.570 2.934 2.699 3.103 . 0 0 "[ . 1 . 2]" 1
234 1 37 ARG H 1 37 ARG HB2 . . 3.410 2.360 2.245 2.516 . 0 0 "[ . 1 . 2]" 1
235 1 37 ARG H 1 37 ARG HB3 . . 3.320 3.011 2.931 3.108 . 0 0 "[ . 1 . 2]" 1
236 1 37 ARG H 1 37 ARG HG2 . . 4.810 4.247 4.210 4.308 . 0 0 "[ . 1 . 2]" 1
237 1 37 ARG H 1 38 ASP H . . 3.830 2.799 2.683 2.908 . 0 0 "[ . 1 . 2]" 1
238 1 37 ARG H 1 38 ASP QB . . 5.080 4.370 4.238 4.539 . 0 0 "[ . 1 . 2]" 1
239 1 37 ARG H 1 41 ILE MD . . 5.240 5.077 4.917 5.244 0.004 12 0 "[ . 1 . 2]" 1
240 1 37 ARG H 1 52 LEU HB3 . . 6.000 5.176 5.018 5.309 . 0 0 "[ . 1 . 2]" 1
241 1 37 ARG H 1 52 LEU MD1 . . 3.800 3.483 3.351 3.668 . 0 0 "[ . 1 . 2]" 1
242 1 37 ARG H 1 52 LEU QD . . 4.850 3.435 3.299 3.618 . 0 0 "[ . 1 . 2]" 1
243 1 37 ARG H 1 56 HIS HD2 . . 5.110 2.874 2.756 2.973 . 0 0 "[ . 1 . 2]" 1
244 1 37 ARG HA 1 37 ARG HD2 . . 4.980 4.266 4.062 4.477 . 0 0 "[ . 1 . 2]" 1
245 1 37 ARG HA 1 37 ARG HD3 . . 4.460 4.507 4.466 4.554 0.094 19 0 "[ . 1 . 2]" 1
246 1 37 ARG HA 1 37 ARG HE . . 4.600 4.052 3.687 4.527 . 0 0 "[ . 1 . 2]" 1
247 1 37 ARG HA 1 40 CYS H . . 4.430 3.902 3.813 4.107 . 0 0 "[ . 1 . 2]" 1
248 1 37 ARG HA 1 40 CYS HB2 . . 4.210 4.229 4.160 4.287 0.077 19 0 "[ . 1 . 2]" 1
249 1 37 ARG HA 1 41 ILE MD . . 3.820 3.072 2.855 3.385 . 0 0 "[ . 1 . 2]" 1
250 1 37 ARG HA 1 52 LEU HB2 . . 3.810 3.960 3.909 4.006 0.196 2 0 "[ . 1 . 2]" 1
251 1 37 ARG HA 1 52 LEU HB3 . . 3.270 2.422 2.328 2.486 . 0 0 "[ . 1 . 2]" 1
252 1 37 ARG HA 1 52 LEU QD . . 4.700 2.028 1.958 2.149 . 0 0 "[ . 1 . 2]" 1
253 1 37 ARG HA 1 53 ILE HA . . 5.500 5.147 4.910 5.398 . 0 0 "[ . 1 . 2]" 1
254 1 37 ARG HA 1 56 HIS HD2 . . 4.830 2.402 2.222 2.648 . 0 0 "[ . 1 . 2]" 1
255 1 37 ARG HB2 1 37 ARG HD3 . . 3.240 3.342 3.107 3.478 0.238 8 0 "[ . 1 . 2]" 1
256 1 37 ARG HB2 1 37 ARG HE . . 3.590 3.533 3.281 3.683 0.093 11 0 "[ . 1 . 2]" 1
257 1 37 ARG HB2 1 38 ASP H . . 3.490 3.150 3.019 3.234 . 0 0 "[ . 1 . 2]" 1
258 1 37 ARG HB2 1 38 ASP QB . . 4.680 4.755 4.698 4.815 0.135 12 0 "[ . 1 . 2]" 1
259 1 37 ARG HB2 1 56 HIS HD2 . . 4.660 2.180 2.059 2.327 . 0 0 "[ . 1 . 2]" 1
260 1 37 ARG HB3 1 37 ARG HE . . 4.010 2.040 1.797 2.214 . 0 0 "[ . 1 . 2]" 1
261 1 37 ARG HB3 1 38 ASP H . . 3.990 2.054 1.915 2.181 . 0 0 "[ . 1 . 2]" 1
262 1 37 ARG HB3 1 56 HIS HB3 . . 4.970 4.938 4.730 5.028 0.058 14 0 "[ . 1 . 2]" 1
263 1 37 ARG HD2 1 41 ILE MD . . 5.130 2.251 1.893 2.829 . 0 0 "[ . 1 . 2]" 1
264 1 37 ARG HD2 1 46 GLU QG . . 4.880 4.075 3.111 4.886 0.006 20 0 "[ . 1 . 2]" 1
265 1 37 ARG HD2 1 52 LEU HB2 . . 5.330 5.310 5.190 5.381 0.051 8 0 "[ . 1 . 2]" 1
266 1 37 ARG HD2 1 53 ILE HA . . 3.770 3.188 2.555 3.628 . 0 0 "[ . 1 . 2]" 1
267 1 37 ARG HD2 1 53 ILE HG12 . . 3.690 2.585 2.341 3.286 . 0 0 "[ . 1 . 2]" 1
268 1 37 ARG HD2 1 53 ILE MG . . 3.820 3.844 3.646 3.896 0.076 12 0 "[ . 1 . 2]" 1
269 1 37 ARG HD2 1 56 HIS HD2 . . 4.870 4.882 4.551 4.982 0.112 10 0 "[ . 1 . 2]" 1
270 1 37 ARG HD3 1 38 ASP H . . 5.500 4.779 4.579 5.295 . 0 0 "[ . 1 . 2]" 1
271 1 37 ARG HD3 1 38 ASP HA . . 4.420 4.683 4.609 4.779 0.359 12 0 "[ . 1 . 2]" 1
272 1 37 ARG HD3 1 41 ILE MD . . 3.910 3.362 3.210 3.511 . 0 0 "[ . 1 . 2]" 1
273 1 37 ARG HD3 1 41 ILE HG13 . . 5.500 5.666 5.611 5.732 0.232 15 0 "[ . 1 . 2]" 1
274 1 37 ARG HD3 1 53 ILE H . . 5.420 5.385 4.814 5.507 0.087 5 0 "[ . 1 . 2]" 1
275 1 37 ARG HD3 1 53 ILE HG12 . . 4.070 3.383 2.588 3.820 . 0 0 "[ . 1 . 2]" 1
276 1 37 ARG HD3 1 53 ILE HG13 . . 3.970 3.595 2.440 3.982 0.012 18 0 "[ . 1 . 2]" 1
277 1 37 ARG HD3 1 56 HIS HD2 . . 4.930 4.585 4.330 4.719 . 0 0 "[ . 1 . 2]" 1
278 1 37 ARG HE 1 37 ARG HG2 . . 3.070 3.195 3.071 3.330 0.260 8 0 "[ . 1 . 2]" 1
279 1 37 ARG HE 1 37 ARG HG3 . . 3.690 3.608 3.476 3.673 . 0 0 "[ . 1 . 2]" 1
280 1 37 ARG HE 1 38 ASP H . . 3.750 2.953 2.622 3.444 . 0 0 "[ . 1 . 2]" 1
281 1 37 ARG HE 1 38 ASP HA . . 5.000 2.221 2.006 2.563 . 0 0 "[ . 1 . 2]" 1
282 1 37 ARG HE 1 41 ILE MD . . 4.310 2.625 2.278 3.245 . 0 0 "[ . 1 . 2]" 1
283 1 37 ARG HE 1 53 ILE HG12 . . 5.560 5.308 4.933 5.602 0.042 2 0 "[ . 1 . 2]" 1
284 1 37 ARG HG2 1 38 ASP H . . 5.330 4.198 3.953 4.389 . 0 0 "[ . 1 . 2]" 1
285 1 37 ARG HG2 1 41 ILE MD . . 3.880 2.275 2.083 2.452 . 0 0 "[ . 1 . 2]" 1
286 1 37 ARG HG2 1 53 ILE HA . . 4.440 3.418 3.178 3.550 . 0 0 "[ . 1 . 2]" 1
287 1 37 ARG HG2 1 56 HIS HB2 . . 4.080 4.166 4.119 4.256 0.176 12 0 "[ . 1 . 2]" 1
288 1 37 ARG HG2 1 56 HIS HD2 . . 5.010 2.910 2.795 3.062 . 0 0 "[ . 1 . 2]" 1
289 1 37 ARG HG3 1 41 ILE MD . . 3.690 3.533 3.372 3.617 . 0 0 "[ . 1 . 2]" 1
290 1 37 ARG HG3 1 53 ILE H . . 4.650 4.449 4.273 4.598 . 0 0 "[ . 1 . 2]" 1
291 1 37 ARG HG3 1 53 ILE HA . . 3.970 2.594 2.324 2.819 . 0 0 "[ . 1 . 2]" 1
292 1 37 ARG HG3 1 53 ILE HG12 . . 4.800 4.155 3.644 4.730 . 0 0 "[ . 1 . 2]" 1
293 1 38 ASP H 1 38 ASP QB . . 3.120 2.003 1.918 2.151 . 0 0 "[ . 1 . 2]" 1
294 1 38 ASP H 1 39 ALA H . . 3.380 2.817 2.676 2.945 . 0 0 "[ . 1 . 2]" 1
295 1 38 ASP H 1 39 ALA MB . . 4.880 4.336 4.088 4.473 . 0 0 "[ . 1 . 2]" 1
296 1 38 ASP H 1 40 CYS H . . 4.810 4.494 4.304 4.677 . 0 0 "[ . 1 . 2]" 1
297 1 38 ASP H 1 41 ILE MD . . 5.500 4.046 3.769 4.344 . 0 0 "[ . 1 . 2]" 1
298 1 38 ASP H 1 52 LEU QD . . 4.790 4.478 4.321 4.582 . 0 0 "[ . 1 . 2]" 1
299 1 38 ASP HA 1 41 ILE HA . . 6.000 5.244 4.920 5.550 . 0 0 "[ . 1 . 2]" 1
300 1 38 ASP HA 1 41 ILE HB . . 4.010 2.348 2.060 2.730 . 0 0 "[ . 1 . 2]" 1
301 1 38 ASP HA 1 41 ILE HG12 . . 5.250 4.050 3.659 4.320 . 0 0 "[ . 1 . 2]" 1
302 1 38 ASP HA 1 42 ILE HG13 . . 4.090 4.183 4.132 4.257 0.167 8 0 "[ . 1 . 2]" 1
303 1 38 ASP QB 1 39 ALA H . . 3.360 2.710 2.431 3.035 . 0 0 "[ . 1 . 2]" 1
304 1 38 ASP QB 1 39 ALA HA . . 4.400 4.036 3.847 4.302 . 0 0 "[ . 1 . 2]" 1
305 1 38 ASP QB 1 39 ALA MB . . 5.300 3.957 3.772 4.303 . 0 0 "[ . 1 . 2]" 1
306 1 38 ASP QB 1 40 CYS H . . 5.140 4.935 4.697 5.146 0.006 5 0 "[ . 1 . 2]" 1
307 1 38 ASP QB 1 42 ILE H . . 4.850 4.678 4.464 4.853 0.003 14 0 "[ . 1 . 2]" 1
308 1 38 ASP QB 1 42 ILE MD . . 4.520 3.042 2.838 3.258 . 0 0 "[ . 1 . 2]" 1
309 1 38 ASP QB 1 42 ILE HG12 . . 5.300 4.889 4.482 5.218 . 0 0 "[ . 1 . 2]" 1
310 1 39 ALA H 1 39 ALA MB . . 2.940 2.155 2.110 2.184 . 0 0 "[ . 1 . 2]" 1
311 1 39 ALA H 1 40 CYS H . . 3.210 3.030 2.962 3.084 . 0 0 "[ . 1 . 2]" 1
312 1 39 ALA H 1 40 CYS HB2 . . 5.210 5.217 5.129 5.283 0.073 10 0 "[ . 1 . 2]" 1
313 1 39 ALA H 1 40 CYS HB3 . . 5.280 5.132 5.058 5.227 . 0 0 "[ . 1 . 2]" 1
314 1 39 ALA H 1 41 ILE H . . 4.800 4.320 4.200 4.522 . 0 0 "[ . 1 . 2]" 1
315 1 39 ALA H 1 41 ILE MD . . 5.230 4.836 4.687 5.120 . 0 0 "[ . 1 . 2]" 1
316 1 39 ALA H 1 42 ILE HB . . 5.550 4.883 4.492 5.375 . 0 0 "[ . 1 . 2]" 1
317 1 39 ALA HA 1 42 ILE H . . 3.670 3.602 3.431 3.682 0.012 1 0 "[ . 1 . 2]" 1
318 1 39 ALA HA 1 42 ILE HB . . 3.150 2.588 2.293 3.027 . 0 0 "[ . 1 . 2]" 1
319 1 39 ALA HA 1 42 ILE MD . . 3.390 2.138 2.080 2.287 . 0 0 "[ . 1 . 2]" 1
320 1 39 ALA HA 1 42 ILE HG12 . . 4.610 4.644 4.562 4.677 0.067 18 0 "[ . 1 . 2]" 1
321 1 39 ALA MB 1 40 CYS H . . 3.450 2.534 2.430 2.594 . 0 0 "[ . 1 . 2]" 1
322 1 39 ALA MB 1 40 CYS HA . . 4.160 4.003 3.941 4.051 . 0 0 "[ . 1 . 2]" 1
323 1 39 ALA MB 1 40 CYS HB2 . . 5.020 3.920 3.822 4.001 . 0 0 "[ . 1 . 2]" 1
324 1 39 ALA MB 1 40 CYS HB3 . . 4.530 4.577 4.563 4.593 0.063 2 0 "[ . 1 . 2]" 1
325 1 39 ALA MB 1 42 ILE MD . . 3.660 3.468 3.428 3.539 . 0 0 "[ . 1 . 2]" 1
326 1 40 CYS H 1 40 CYS HB2 . . 3.220 2.296 2.194 2.366 . 0 0 "[ . 1 . 2]" 1
327 1 40 CYS H 1 40 CYS HB3 . . 3.180 2.395 2.332 2.472 . 0 0 "[ . 1 . 2]" 1
328 1 40 CYS H 1 41 ILE H . . 3.400 2.591 2.495 2.695 . 0 0 "[ . 1 . 2]" 1
329 1 40 CYS H 1 41 ILE MD . . 4.400 3.601 3.429 3.746 . 0 0 "[ . 1 . 2]" 1
330 1 40 CYS H 1 52 LEU MD2 . . 5.500 5.568 5.540 5.602 0.102 3 0 "[ . 1 . 2]" 1
331 1 40 CYS HA 1 41 ILE H . . 3.570 3.559 3.541 3.579 0.009 6 0 "[ . 1 . 2]" 1
332 1 40 CYS HA 1 41 ILE HA . . 4.990 4.879 4.826 4.966 . 0 0 "[ . 1 . 2]" 1
333 1 40 CYS HA 1 41 ILE MD . . 4.750 4.508 4.386 4.626 . 0 0 "[ . 1 . 2]" 1
334 1 40 CYS HA 1 42 ILE H . . 6.000 4.463 4.277 4.655 . 0 0 "[ . 1 . 2]" 1
335 1 40 CYS HA 1 43 GLU H . . 4.350 3.635 3.349 3.837 . 0 0 "[ . 1 . 2]" 1
336 1 40 CYS HA 1 43 GLU HB3 . . 3.400 3.281 2.865 3.490 0.090 4 0 "[ . 1 . 2]" 1
337 1 40 CYS HA 1 43 GLU HG3 . . 4.470 4.307 3.427 4.519 0.049 9 0 "[ . 1 . 2]" 1
338 1 40 CYS HA 1 44 LYS H . . 4.240 3.838 3.577 4.091 . 0 0 "[ . 1 . 2]" 1
339 1 40 CYS HA 1 44 LYS HB2 . . 5.490 4.793 4.386 5.225 . 0 0 "[ . 1 . 2]" 1
340 1 40 CYS HB2 1 41 ILE H . . 3.600 3.651 3.615 3.721 0.121 10 0 "[ . 1 . 2]" 1
341 1 40 CYS HB2 1 41 ILE HB . . 6.000 5.907 5.735 6.025 0.025 10 0 "[ . 1 . 2]" 1
342 1 40 CYS HB2 1 49 CYS HB3 . . 5.280 4.104 3.896 4.220 . 0 0 "[ . 1 . 2]" 1
343 1 40 CYS HB2 1 52 LEU HB2 . . 5.240 4.082 3.846 4.322 . 0 0 "[ . 1 . 2]" 1
344 1 40 CYS HB2 1 52 LEU MD1 . . 5.980 2.141 2.057 2.214 . 0 0 "[ . 1 . 2]" 1
345 1 40 CYS HB2 1 52 LEU QD . . 5.070 2.136 2.052 2.207 . 0 0 "[ . 1 . 2]" 1
346 1 40 CYS HB3 1 41 ILE H . . 4.150 2.352 2.274 2.444 . 0 0 "[ . 1 . 2]" 1
347 1 40 CYS HB3 1 41 ILE HA . . 5.590 4.207 4.085 4.303 . 0 0 "[ . 1 . 2]" 1
348 1 40 CYS HB3 1 41 ILE HB . . 4.940 4.450 4.315 4.576 . 0 0 "[ . 1 . 2]" 1
349 1 40 CYS HB3 1 41 ILE MD . . 3.330 2.224 2.064 2.314 . 0 0 "[ . 1 . 2]" 1
350 1 40 CYS HB3 1 44 LYS H . . 5.500 5.519 5.456 5.555 0.055 18 0 "[ . 1 . 2]" 1
351 1 40 CYS HB3 1 52 LEU MD1 . . 4.740 2.378 2.238 2.590 . 0 0 "[ . 1 . 2]" 1
352 1 40 CYS HB3 1 52 LEU HG . . 3.840 3.486 3.337 3.812 . 0 0 "[ . 1 . 2]" 1
353 1 41 ILE H 1 41 ILE HB . . 3.110 2.333 2.250 2.410 . 0 0 "[ . 1 . 2]" 1
354 1 41 ILE H 1 41 ILE MD . . 4.050 2.088 1.970 2.229 . 0 0 "[ . 1 . 2]" 1
355 1 41 ILE H 1 41 ILE HG12 . . 3.980 3.974 3.896 4.012 0.032 20 0 "[ . 1 . 2]" 1
356 1 41 ILE H 1 41 ILE HG13 . . 4.190 3.607 3.436 3.765 . 0 0 "[ . 1 . 2]" 1
357 1 41 ILE H 1 41 ILE MG . . 4.400 3.749 3.687 3.795 . 0 0 "[ . 1 . 2]" 1
358 1 41 ILE H 1 42 ILE H . . 3.500 2.772 2.671 2.855 . 0 0 "[ . 1 . 2]" 1
359 1 41 ILE H 1 42 ILE MG . . 6.000 5.681 5.439 5.824 . 0 0 "[ . 1 . 2]" 1
360 1 41 ILE H 1 49 CYS HB2 . . 4.930 4.280 3.981 4.480 . 0 0 "[ . 1 . 2]" 1
361 1 41 ILE HA 1 41 ILE HG12 . . 3.450 3.499 3.468 3.523 0.073 1 0 "[ . 1 . 2]" 1
362 1 41 ILE HA 1 41 ILE HG13 . . 3.480 2.295 2.224 2.374 . 0 0 "[ . 1 . 2]" 1
363 1 41 ILE HA 1 41 ILE MG . . 3.380 2.583 2.505 2.656 . 0 0 "[ . 1 . 2]" 1
364 1 41 ILE HA 1 43 GLU H . . 5.080 4.097 3.896 4.493 . 0 0 "[ . 1 . 2]" 1
365 1 41 ILE HA 1 44 LYS H . . 4.320 3.872 3.627 4.074 . 0 0 "[ . 1 . 2]" 1
366 1 41 ILE HA 1 45 GLY H . . 3.520 2.439 2.282 2.568 . 0 0 "[ . 1 . 2]" 1
367 1 41 ILE HA 1 45 GLY HA2 . . 4.250 2.813 2.480 3.003 . 0 0 "[ . 1 . 2]" 1
368 1 41 ILE HA 1 45 GLY HA3 . . 4.990 4.145 3.883 4.273 . 0 0 "[ . 1 . 2]" 1
369 1 41 ILE HA 1 46 GLU H . . 4.610 3.952 3.768 4.106 . 0 0 "[ . 1 . 2]" 1
370 1 41 ILE HA 1 46 GLU HA . . 4.120 3.867 3.665 4.066 . 0 0 "[ . 1 . 2]" 1
371 1 41 ILE HA 1 49 CYS HB2 . . 5.450 3.259 3.081 3.520 . 0 0 "[ . 1 . 2]" 1
372 1 41 ILE HA 1 49 CYS HB3 . . 4.770 3.997 3.837 4.242 . 0 0 "[ . 1 . 2]" 1
373 1 41 ILE HB 1 41 ILE MD . . 2.930 2.449 2.298 2.591 . 0 0 "[ . 1 . 2]" 1
374 1 41 ILE HB 1 46 GLU HA . . 5.250 5.117 5.012 5.286 0.036 10 0 "[ . 1 . 2]" 1
375 1 41 ILE MD 1 49 CYS HB2 . . 4.020 2.371 2.115 2.566 . 0 0 "[ . 1 . 2]" 1
376 1 41 ILE MD 1 49 CYS HB3 . . 3.710 1.965 1.872 2.079 . 0 0 "[ . 1 . 2]" 1
377 1 41 ILE HG12 1 45 GLY H . . 5.740 5.751 5.635 5.816 0.076 19 0 "[ . 1 . 2]" 1
378 1 41 ILE HG12 1 46 GLU H . . 4.310 4.337 4.084 4.418 0.108 20 0 "[ . 1 . 2]" 1
379 1 41 ILE HG12 1 46 GLU HA . . 3.270 3.107 2.969 3.290 0.020 10 0 "[ . 1 . 2]" 1
380 1 41 ILE HG12 1 46 GLU HB2 . . 4.760 4.746 4.537 4.885 0.125 1 0 "[ . 1 . 2]" 1
381 1 41 ILE HG12 1 46 GLU QG . . 4.450 2.133 1.977 2.603 . 0 0 "[ . 1 . 2]" 1
382 1 41 ILE HG12 1 49 CYS HB2 . . 4.950 3.891 3.792 4.023 . 0 0 "[ . 1 . 2]" 1
383 1 41 ILE HG12 1 49 CYS HB3 . . 4.310 4.364 4.329 4.430 0.120 4 0 "[ . 1 . 2]" 1
384 1 41 ILE HG12 1 53 ILE HG13 . . 5.400 4.088 3.819 4.255 . 0 0 "[ . 1 . 2]" 1
385 1 41 ILE HG12 1 53 ILE MG . . 6.000 5.797 5.188 6.034 0.034 18 0 "[ . 1 . 2]" 1
386 1 41 ILE HG13 1 45 GLY HA2 . . 5.010 3.884 3.486 4.097 . 0 0 "[ . 1 . 2]" 1
387 1 41 ILE HG13 1 46 GLU HA . . 3.270 2.111 2.014 2.234 . 0 0 "[ . 1 . 2]" 1
388 1 41 ILE HG13 1 46 GLU QG . . 2.580 2.474 2.250 2.614 0.034 1 0 "[ . 1 . 2]" 1
389 1 41 ILE HG13 1 49 CYS HB3 . . 4.350 3.342 3.139 3.643 . 0 0 "[ . 1 . 2]" 1
390 1 41 ILE MG 1 42 ILE H . . 4.220 3.255 3.091 3.449 . 0 0 "[ . 1 . 2]" 1
391 1 41 ILE MG 1 42 ILE HG13 . . 3.760 3.725 3.491 3.783 0.023 3 0 "[ . 1 . 2]" 1
392 1 41 ILE MG 1 45 GLY H . . 4.690 4.144 3.886 4.360 . 0 0 "[ . 1 . 2]" 1
393 1 41 ILE MG 1 45 GLY HA2 . . 3.560 2.773 2.525 2.958 . 0 0 "[ . 1 . 2]" 1
394 1 41 ILE MG 1 45 GLY HA3 . . 4.390 4.239 4.004 4.405 0.015 4 0 "[ . 1 . 2]" 1
395 1 41 ILE MG 1 46 GLU H . . 3.660 3.028 2.843 3.317 . 0 0 "[ . 1 . 2]" 1
396 1 41 ILE MG 1 46 GLU HA . . 5.100 3.780 3.593 4.017 . 0 0 "[ . 1 . 2]" 1
397 1 41 ILE MG 1 46 GLU QG . . 3.350 2.200 2.045 2.914 . 0 0 "[ . 1 . 2]" 1
398 1 42 ILE H 1 42 ILE HB . . 2.720 2.171 1.983 2.367 . 0 0 "[ . 1 . 2]" 1
399 1 42 ILE H 1 42 ILE MD . . 4.470 3.556 3.436 3.630 . 0 0 "[ . 1 . 2]" 1
400 1 42 ILE H 1 42 ILE HG12 . . 4.120 3.636 3.491 3.776 . 0 0 "[ . 1 . 2]" 1
401 1 42 ILE H 1 42 ILE HG13 . . 3.290 2.389 2.226 2.590 . 0 0 "[ . 1 . 2]" 1
402 1 42 ILE H 1 42 ILE MG . . 3.880 3.637 3.499 3.744 . 0 0 "[ . 1 . 2]" 1
403 1 42 ILE H 1 43 GLU H . . 3.500 2.794 2.686 2.890 . 0 0 "[ . 1 . 2]" 1
404 1 42 ILE H 1 44 LYS H . . 4.910 4.606 4.346 4.879 . 0 0 "[ . 1 . 2]" 1
405 1 42 ILE HA 1 42 ILE MD . . 3.940 3.810 3.762 3.870 . 0 0 "[ . 1 . 2]" 1
406 1 42 ILE HA 1 42 ILE HG12 . . 3.360 2.409 2.300 2.525 . 0 0 "[ . 1 . 2]" 1
407 1 42 ILE HA 1 42 ILE HG13 . . 3.600 2.745 2.650 2.865 . 0 0 "[ . 1 . 2]" 1
408 1 42 ILE HA 1 42 ILE MG . . 3.310 2.726 2.565 2.868 . 0 0 "[ . 1 . 2]" 1
409 1 42 ILE HB 1 43 GLU H . . 3.440 2.808 2.315 3.167 . 0 0 "[ . 1 . 2]" 1
410 1 42 ILE HB 1 43 GLU HG3 . . 4.880 4.882 4.078 5.028 0.148 10 0 "[ . 1 . 2]" 1
411 1 42 ILE MG 1 43 GLU H . . 4.020 3.049 2.561 3.361 . 0 0 "[ . 1 . 2]" 1
412 1 42 ILE MG 1 43 GLU HA . . 3.810 3.036 2.705 3.212 . 0 0 "[ . 1 . 2]" 1
413 1 42 ILE MG 1 43 GLU HB3 . . 4.290 4.345 4.297 4.399 0.109 4 0 "[ . 1 . 2]" 1
414 1 42 ILE MG 1 43 GLU HG2 . . 4.150 3.315 2.288 4.151 0.001 10 0 "[ . 1 . 2]" 1
415 1 43 GLU H 1 43 GLU HB2 . . 3.480 1.982 1.862 2.189 . 0 0 "[ . 1 . 2]" 1
416 1 43 GLU H 1 43 GLU HB3 . . 3.070 2.647 2.149 3.180 0.110 4 0 "[ . 1 . 2]" 1
417 1 43 GLU H 1 43 GLU HG2 . . 4.250 3.972 3.233 4.255 0.005 18 0 "[ . 1 . 2]" 1
418 1 43 GLU H 1 43 GLU HG3 . . 3.890 3.923 2.950 4.048 0.158 16 0 "[ . 1 . 2]" 1
419 1 43 GLU H 1 44 LYS H . . 3.190 2.407 2.138 2.635 . 0 0 "[ . 1 . 2]" 1
420 1 43 GLU H 1 44 LYS HG2 . . 5.230 4.932 4.401 5.282 0.052 12 0 "[ . 1 . 2]" 1
421 1 43 GLU HA 1 43 GLU HG2 . . 3.510 2.388 2.162 2.658 . 0 0 "[ . 1 . 2]" 1
422 1 43 GLU HA 1 44 LYS HA . . 4.990 4.704 4.654 4.764 . 0 0 "[ . 1 . 2]" 1
423 1 43 GLU HB2 1 44 LYS H . . 3.920 3.200 2.672 3.626 . 0 0 "[ . 1 . 2]" 1
424 1 43 GLU HB3 1 44 LYS H . . 3.640 2.381 2.235 3.076 . 0 0 "[ . 1 . 2]" 1
425 1 43 GLU HG3 1 44 LYS H . . 4.610 4.680 4.625 4.733 0.123 14 0 "[ . 1 . 2]" 1
426 1 44 LYS H 1 44 LYS HB2 . . 3.490 2.655 2.296 2.782 . 0 0 "[ . 1 . 2]" 1
427 1 44 LYS H 1 44 LYS HB3 . . 3.980 3.726 3.548 3.786 . 0 0 "[ . 1 . 2]" 1
428 1 44 LYS H 1 44 LYS QD . . 4.240 3.862 3.262 4.294 0.054 4 0 "[ . 1 . 2]" 1
429 1 44 LYS H 1 44 LYS QE . . 4.670 4.614 4.344 4.722 0.052 13 0 "[ . 1 . 2]" 1
430 1 44 LYS H 1 44 LYS HG2 . . 4.320 2.943 2.509 3.392 . 0 0 "[ . 1 . 2]" 1
431 1 44 LYS H 1 44 LYS HG3 . . 3.940 3.234 2.447 3.996 0.056 7 0 "[ . 1 . 2]" 1
432 1 44 LYS H 1 45 GLY H . . 3.020 2.382 2.158 2.663 . 0 0 "[ . 1 . 2]" 1
433 1 44 LYS H 1 45 GLY HA3 . . 5.500 5.086 4.942 5.238 . 0 0 "[ . 1 . 2]" 1
434 1 44 LYS HA 1 44 LYS QD . . 3.740 2.926 1.966 3.784 0.044 9 0 "[ . 1 . 2]" 1
435 1 44 LYS HA 1 44 LYS HG2 . . 3.610 2.899 2.349 3.434 . 0 0 "[ . 1 . 2]" 1
436 1 44 LYS HA 1 48 HIS HB2 . . 4.940 4.215 4.100 4.363 . 0 0 "[ . 1 . 2]" 1
437 1 44 LYS HA 1 48 HIS HB3 . . 4.700 4.726 4.619 4.790 0.090 2 0 "[ . 1 . 2]" 1
438 1 44 LYS HA 1 48 HIS HD2 . . 4.170 4.079 3.891 4.226 0.056 8 0 "[ . 1 . 2]" 1
439 1 44 LYS HB2 1 45 GLY H . . 4.150 2.458 2.221 3.108 . 0 0 "[ . 1 . 2]" 1
440 1 44 LYS HB2 1 48 HIS HB2 . . 3.900 2.570 2.290 3.179 . 0 0 "[ . 1 . 2]" 1
441 1 44 LYS HB2 1 48 HIS HB3 . . 3.750 2.908 2.534 3.485 . 0 0 "[ . 1 . 2]" 1
442 1 44 LYS HB2 1 48 HIS HD2 . . 5.090 4.275 3.977 5.015 . 0 0 "[ . 1 . 2]" 1
443 1 44 LYS HB2 1 49 CYS H . . 4.840 4.817 4.640 4.891 0.051 15 0 "[ . 1 . 2]" 1
444 1 44 LYS HB3 1 44 LYS QD . . 2.650 2.280 2.140 2.445 . 0 0 "[ . 1 . 2]" 1
445 1 44 LYS HB3 1 45 GLY H . . 4.560 3.580 3.042 3.987 . 0 0 "[ . 1 . 2]" 1
446 1 44 LYS HB3 1 48 HIS HB2 . . 3.730 2.417 2.162 2.624 . 0 0 "[ . 1 . 2]" 1
447 1 44 LYS HB3 1 48 HIS HB3 . . 3.530 2.422 2.234 2.496 . 0 0 "[ . 1 . 2]" 1
448 1 44 LYS HB3 1 48 HIS HD2 . . 3.820 3.318 3.122 3.838 0.018 8 0 "[ . 1 . 2]" 1
449 1 44 LYS QD 1 45 GLY H . . 4.540 4.600 4.553 4.636 0.096 3 0 "[ . 1 . 2]" 1
450 1 44 LYS QD 1 48 HIS HB3 . . 4.130 3.258 2.235 4.163 0.033 3 0 "[ . 1 . 2]" 1
451 1 44 LYS QD 1 48 HIS HD2 . . 4.840 4.756 4.241 4.904 0.064 5 0 "[ . 1 . 2]" 1
452 1 44 LYS HG2 1 45 GLY H . . 5.360 4.455 4.043 4.761 . 0 0 "[ . 1 . 2]" 1
453 1 45 GLY H 1 46 GLU H . . 4.660 4.415 4.299 4.522 . 0 0 "[ . 1 . 2]" 1
454 1 45 GLY HA2 1 46 GLU H . . 3.130 2.491 2.387 2.578 . 0 0 "[ . 1 . 2]" 1
455 1 45 GLY HA2 1 47 GLU H . . 5.310 4.343 4.099 4.715 . 0 0 "[ . 1 . 2]" 1
456 1 45 GLY HA2 1 48 HIS HD2 . . 5.130 4.912 4.413 5.174 0.044 3 0 "[ . 1 . 2]" 1
457 1 45 GLY HA3 1 46 GLU H . . 3.430 2.745 2.651 2.832 . 0 0 "[ . 1 . 2]" 1
458 1 45 GLY HA3 1 46 GLU HA . . 6.000 4.798 4.756 4.862 . 0 0 "[ . 1 . 2]" 1
459 1 45 GLY HA3 1 47 GLU H . . 4.170 3.498 3.226 3.894 . 0 0 "[ . 1 . 2]" 1
460 1 45 GLY HA3 1 47 GLU HG2 . . 4.340 3.081 2.785 3.998 . 0 0 "[ . 1 . 2]" 1
461 1 45 GLY HA3 1 48 HIS HD2 . . 4.130 3.328 2.843 3.633 . 0 0 "[ . 1 . 2]" 1
462 1 46 GLU H 1 46 GLU HB2 . . 3.370 2.482 2.238 3.081 . 0 0 "[ . 1 . 2]" 1
463 1 46 GLU H 1 46 GLU HB3 . . 3.750 3.569 3.495 3.669 . 0 0 "[ . 1 . 2]" 1
464 1 46 GLU H 1 46 GLU QG . . 3.800 2.494 1.925 3.185 . 0 0 "[ . 1 . 2]" 1
465 1 46 GLU H 1 47 GLU H . . 3.800 2.515 2.358 2.660 . 0 0 "[ . 1 . 2]" 1
466 1 46 GLU H 1 47 GLU HA . . 5.090 5.165 5.095 5.208 0.118 1 0 "[ . 1 . 2]" 1
467 1 46 GLU H 1 47 GLU HG2 . . 3.970 3.837 3.446 4.011 0.041 20 0 "[ . 1 . 2]" 1
468 1 46 GLU H 1 48 HIS HD2 . . 5.500 5.494 4.964 5.588 0.088 6 0 "[ . 1 . 2]" 1
469 1 46 GLU HA 1 46 GLU QG . . 3.620 2.515 2.188 2.960 . 0 0 "[ . 1 . 2]" 1
470 1 46 GLU HA 1 48 HIS H . . 4.230 3.635 3.482 3.771 . 0 0 "[ . 1 . 2]" 1
471 1 46 GLU HA 1 49 CYS H . . 4.230 3.178 2.994 3.362 . 0 0 "[ . 1 . 2]" 1
472 1 46 GLU HA 1 49 CYS HB2 . . 4.340 2.411 2.324 2.493 . 0 0 "[ . 1 . 2]" 1
473 1 46 GLU HA 1 49 CYS HB3 . . 3.670 3.738 3.676 3.793 0.123 1 0 "[ . 1 . 2]" 1
474 1 46 GLU HB2 1 47 GLU H . . 4.220 2.709 2.421 2.906 . 0 0 "[ . 1 . 2]" 1
475 1 46 GLU HB2 1 47 GLU HB2 . . 6.000 5.817 5.523 6.033 0.033 6 0 "[ . 1 . 2]" 1
476 1 46 GLU HB2 1 53 ILE MD . . 3.550 3.510 2.926 3.588 0.038 2 0 "[ . 1 . 2]" 1
477 1 46 GLU HB3 1 47 GLU H . . 4.700 3.715 3.413 4.069 . 0 0 "[ . 1 . 2]" 1
478 1 46 GLU HB3 1 53 ILE MD . . 3.900 2.127 1.985 2.223 . 0 0 "[ . 1 . 2]" 1
479 1 46 GLU QG 1 47 GLU H . . 4.630 4.161 3.762 4.559 . 0 0 "[ . 1 . 2]" 1
480 1 47 GLU H 1 47 GLU HB2 . . 3.530 3.546 3.503 3.584 0.054 2 0 "[ . 1 . 2]" 1
481 1 47 GLU H 1 47 GLU HB3 . . 3.630 2.509 2.276 2.724 . 0 0 "[ . 1 . 2]" 1
482 1 47 GLU H 1 47 GLU HG2 . . 3.970 2.233 1.901 2.641 . 0 0 "[ . 1 . 2]" 1
483 1 47 GLU H 1 47 GLU HG3 . . 4.100 3.392 2.511 3.715 . 0 0 "[ . 1 . 2]" 1
484 1 47 GLU H 1 48 HIS H . . 3.960 2.878 2.672 3.020 . 0 0 "[ . 1 . 2]" 1
485 1 47 GLU H 1 49 CYS H . . 4.310 4.083 3.864 4.261 . 0 0 "[ . 1 . 2]" 1
486 1 47 GLU HA 1 47 GLU HB3 . . 2.680 2.365 2.277 2.541 . 0 0 "[ . 1 . 2]" 1
487 1 47 GLU HA 1 47 GLU HG2 . . 3.830 3.711 3.617 3.840 0.010 16 0 "[ . 1 . 2]" 1
488 1 47 GLU HA 1 47 GLU HG3 . . 4.100 3.947 3.702 4.166 0.066 12 0 "[ . 1 . 2]" 1
489 1 47 GLU HA 1 49 CYS H . . 4.780 4.087 3.805 4.388 . 0 0 "[ . 1 . 2]" 1
490 1 47 GLU HB3 1 48 HIS H . . 4.350 4.381 4.258 4.426 0.076 12 0 "[ . 1 . 2]" 1
491 1 47 GLU HG2 1 48 HIS H . . 5.070 3.117 2.519 3.911 . 0 0 "[ . 1 . 2]" 1
492 1 47 GLU HG2 1 48 HIS HD2 . . 5.500 2.925 2.221 3.831 . 0 0 "[ . 1 . 2]" 1
493 1 47 GLU HG3 1 48 HIS H . . 4.830 3.686 2.727 4.505 . 0 0 "[ . 1 . 2]" 1
494 1 47 GLU HG3 1 48 HIS HB2 . . 6.000 4.244 3.535 4.978 . 0 0 "[ . 1 . 2]" 1
495 1 47 GLU HG3 1 48 HIS HD2 . . 4.090 2.780 2.201 3.252 . 0 0 "[ . 1 . 2]" 1
496 1 48 HIS H 1 48 HIS HB2 . . 3.970 2.355 2.292 2.435 . 0 0 "[ . 1 . 2]" 1
497 1 48 HIS H 1 48 HIS HB3 . . 3.520 3.582 3.554 3.617 0.097 7 0 "[ . 1 . 2]" 1
498 1 48 HIS H 1 48 HIS HD2 . . 3.890 3.625 3.185 3.890 0.000 10 0 "[ . 1 . 2]" 1
499 1 48 HIS H 1 49 CYS HB3 . . 4.840 4.968 4.928 5.002 0.162 2 0 "[ . 1 . 2]" 1
500 1 48 HIS HA 1 48 HIS HD2 . . 4.510 4.404 4.206 4.551 0.041 7 0 "[ . 1 . 2]" 1
501 1 48 HIS HA 1 49 CYS H . . 3.440 3.314 3.245 3.392 . 0 0 "[ . 1 . 2]" 1
502 1 48 HIS HA 1 49 CYS HA . . 6.000 4.700 4.617 4.743 . 0 0 "[ . 1 . 2]" 1
503 1 48 HIS HB2 1 49 CYS H . . 4.770 3.381 3.158 3.571 . 0 0 "[ . 1 . 2]" 1
504 1 48 HIS HB2 1 49 CYS HA . . 5.240 4.967 4.733 5.103 . 0 0 "[ . 1 . 2]" 1
505 1 48 HIS HB3 1 48 HIS HD2 . . 3.600 3.614 3.547 3.672 0.072 20 0 "[ . 1 . 2]" 1
506 1 49 CYS H 1 49 CYS HB2 . . 4.020 2.470 2.405 2.540 . 0 0 "[ . 1 . 2]" 1
507 1 49 CYS H 1 49 CYS HB3 . . 3.490 3.552 3.520 3.577 0.087 19 0 "[ . 1 . 2]" 1
508 1 49 CYS H 1 50 GLY H . . 4.980 2.435 2.276 2.562 . 0 0 "[ . 1 . 2]" 1
509 1 49 CYS H 1 50 GLY HA2 . . 5.090 4.571 4.423 4.718 . 0 0 "[ . 1 . 2]" 1
510 1 49 CYS H 1 53 ILE MD . . 4.860 4.035 3.605 4.309 . 0 0 "[ . 1 . 2]" 1
511 1 49 CYS HA 1 51 HIS HE1 . . 3.420 2.242 2.078 2.453 . 0 0 "[ . 1 . 2]" 1
512 1 49 CYS HA 1 52 LEU H . . 4.680 3.060 2.802 3.318 . 0 0 "[ . 1 . 2]" 1
513 1 49 CYS HA 1 52 LEU HB2 . . 4.630 2.888 2.635 3.101 . 0 0 "[ . 1 . 2]" 1
514 1 49 CYS HA 1 52 LEU MD1 . . 6.000 4.904 4.618 5.132 . 0 0 "[ . 1 . 2]" 1
515 1 49 CYS HA 1 52 LEU QD . . 5.140 4.254 4.000 4.445 . 0 0 "[ . 1 . 2]" 1
516 1 49 CYS HA 1 52 LEU HG . . 4.110 3.891 3.481 4.130 0.020 11 0 "[ . 1 . 2]" 1
517 1 49 CYS HB2 1 51 HIS HE1 . . 5.330 5.042 4.927 5.216 . 0 0 "[ . 1 . 2]" 1
518 1 49 CYS HB2 1 52 LEU H . . 5.220 4.992 4.861 5.133 . 0 0 "[ . 1 . 2]" 1
519 1 49 CYS HB2 1 52 LEU HB2 . . 4.120 3.948 3.796 4.120 0.000 20 0 "[ . 1 . 2]" 1
520 1 49 CYS HB2 1 52 LEU HB3 . . 4.330 4.500 4.458 4.553 0.223 8 0 "[ . 1 . 2]" 1
521 1 49 CYS HB3 1 52 LEU HB2 . . 4.210 2.463 2.309 2.671 . 0 0 "[ . 1 . 2]" 1
522 1 49 CYS HB3 1 53 ILE HG12 . . 5.990 5.852 5.215 6.034 0.044 3 0 "[ . 1 . 2]" 1
523 1 50 GLY HA2 1 51 HIS QB . . 5.230 5.253 5.080 5.290 0.060 17 0 "[ . 1 . 2]" 1
524 1 50 GLY HA2 1 53 ILE H . . 5.170 1.835 1.762 1.990 . 0 0 "[ . 1 . 2]" 1
525 1 50 GLY HA2 1 53 ILE HB . . 3.990 2.146 2.054 2.301 . 0 0 "[ . 1 . 2]" 1
526 1 50 GLY HA2 1 53 ILE MD . . 3.830 2.107 1.964 2.206 . 0 0 "[ . 1 . 2]" 1
527 1 50 GLY HA2 1 53 ILE HG13 . . 6.000 2.707 2.444 3.542 . 0 0 "[ . 1 . 2]" 1
528 1 50 GLY HA2 1 53 ILE MG . . 5.170 3.793 3.726 3.890 . 0 0 "[ . 1 . 2]" 1
529 1 50 GLY HA2 1 54 GLU H . . 4.700 3.452 3.185 3.634 . 0 0 "[ . 1 . 2]" 1
530 1 50 GLY HA3 1 53 ILE H . . 4.230 3.449 3.378 3.598 . 0 0 "[ . 1 . 2]" 1
531 1 50 GLY HA3 1 53 ILE HB . . 3.590 2.859 2.760 3.041 . 0 0 "[ . 1 . 2]" 1
532 1 50 GLY HA3 1 53 ILE MD . . 3.870 2.271 2.130 2.497 . 0 0 "[ . 1 . 2]" 1
533 1 50 GLY HA3 1 53 ILE HG12 . . 4.570 4.729 4.707 4.754 0.184 12 0 "[ . 1 . 2]" 1
534 1 50 GLY HA3 1 53 ILE HG13 . . 5.430 4.080 3.856 4.916 . 0 0 "[ . 1 . 2]" 1
535 1 50 GLY HA3 1 53 ILE MG . . 4.420 4.243 4.120 4.443 0.023 2 0 "[ . 1 . 2]" 1
536 1 50 GLY HA3 1 54 GLU H . . 5.040 4.230 4.079 4.360 . 0 0 "[ . 1 . 2]" 1
537 1 51 HIS HA 1 51 HIS QB . . 2.720 2.178 2.162 2.225 . 0 0 "[ . 1 . 2]" 1
538 1 51 HIS HA 1 51 HIS HD2 . . 4.850 4.708 4.554 4.859 0.009 15 0 "[ . 1 . 2]" 1
539 1 51 HIS HA 1 54 GLU H . . 4.360 3.333 3.003 3.693 . 0 0 "[ . 1 . 2]" 1
540 1 51 HIS HA 1 54 GLU QB . . 3.230 2.763 2.283 3.238 0.008 19 0 "[ . 1 . 2]" 1
541 1 51 HIS HA 1 54 GLU HG2 . . 4.790 4.171 3.077 4.883 0.093 3 0 "[ . 1 . 2]" 1
542 1 51 HIS HA 1 55 ALA H . . 4.360 3.707 3.440 4.005 . 0 0 "[ . 1 . 2]" 1
543 1 51 HIS QB 1 51 HIS HD2 . . 3.320 2.544 2.511 2.560 . 0 0 "[ . 1 . 2]" 1
544 1 51 HIS QB 1 52 LEU H . . 4.350 3.370 3.277 3.434 . 0 0 "[ . 1 . 2]" 1
545 1 51 HIS QB 1 52 LEU HA . . 5.200 4.622 4.392 4.748 . 0 0 "[ . 1 . 2]" 1
546 1 51 HIS QB 1 52 LEU QD . . 4.570 3.832 3.521 4.162 . 0 0 "[ . 1 . 2]" 1
547 1 51 HIS QB 1 53 ILE H . . 6.000 5.046 4.859 5.168 . 0 0 "[ . 1 . 2]" 1
548 1 51 HIS QB 1 54 GLU H . . 6.000 4.934 4.680 5.183 . 0 0 "[ . 1 . 2]" 1
549 1 51 HIS QB 1 54 GLU QB . . 4.600 4.273 3.835 4.630 0.030 15 0 "[ . 1 . 2]" 1
550 1 51 HIS QB 1 55 ALA MB . . 5.500 4.119 3.764 4.495 . 0 0 "[ . 1 . 2]" 1
551 1 51 HIS HD2 1 52 LEU HA . . 4.970 4.662 4.373 4.970 0.000 13 0 "[ . 1 . 2]" 1
552 1 51 HIS HD2 1 52 LEU QD . . 3.370 2.789 2.580 3.001 . 0 0 "[ . 1 . 2]" 1
553 1 51 HIS HD2 1 52 LEU HG . . 4.430 4.459 4.442 4.485 0.055 1 0 "[ . 1 . 2]" 1
554 1 51 HIS HD2 1 55 ALA MB . . 5.500 4.699 4.360 5.133 . 0 0 "[ . 1 . 2]" 1
555 1 51 HIS HE1 1 52 LEU H . . 5.090 3.712 3.445 3.839 . 0 0 "[ . 1 . 2]" 1
556 1 51 HIS HE1 1 52 LEU HB2 . . 5.120 3.747 3.096 4.109 . 0 0 "[ . 1 . 2]" 1
557 1 51 HIS HE1 1 52 LEU QD . . 4.220 3.957 3.499 4.156 . 0 0 "[ . 1 . 2]" 1
558 1 51 HIS HE1 1 52 LEU HG . . 3.690 3.513 2.727 3.716 0.026 8 0 "[ . 1 . 2]" 1
559 1 52 LEU H 1 52 LEU HB2 . . 3.400 2.188 2.095 2.279 . 0 0 "[ . 1 . 2]" 1
560 1 52 LEU H 1 52 LEU HB3 . . 3.940 3.400 3.314 3.490 . 0 0 "[ . 1 . 2]" 1
561 1 52 LEU H 1 52 LEU QD . . 3.500 2.944 2.758 3.168 . 0 0 "[ . 1 . 2]" 1
562 1 52 LEU H 1 52 LEU MD2 . . 3.650 2.990 2.789 3.244 . 0 0 "[ . 1 . 2]" 1
563 1 52 LEU H 1 52 LEU HG . . 4.110 3.502 3.327 3.638 . 0 0 "[ . 1 . 2]" 1
564 1 52 LEU H 1 53 ILE H . . 3.280 2.744 2.581 2.891 . 0 0 "[ . 1 . 2]" 1
565 1 52 LEU H 1 53 ILE HB . . 5.060 5.063 4.878 5.100 0.040 12 0 "[ . 1 . 2]" 1
566 1 52 LEU H 1 54 GLU H . . 4.880 4.461 4.259 4.605 . 0 0 "[ . 1 . 2]" 1
567 1 52 LEU H 1 55 ALA H . . 5.150 4.966 4.796 5.115 . 0 0 "[ . 1 . 2]" 1
568 1 52 LEU H 1 55 ALA MB . . 5.410 4.731 4.618 4.883 . 0 0 "[ . 1 . 2]" 1
569 1 52 LEU HA 1 52 LEU QD . . 3.090 1.912 1.873 1.931 . 0 0 "[ . 1 . 2]" 1
570 1 52 LEU HA 1 55 ALA H . . 4.310 3.742 3.593 3.869 . 0 0 "[ . 1 . 2]" 1
571 1 52 LEU HA 1 55 ALA MB . . 2.750 2.792 2.763 2.813 0.063 6 0 "[ . 1 . 2]" 1
572 1 52 LEU HA 1 56 HIS H . . 5.820 3.842 3.718 3.996 . 0 0 "[ . 1 . 2]" 1
573 1 52 LEU HB3 1 53 ILE H . . 3.950 3.516 3.389 3.641 . 0 0 "[ . 1 . 2]" 1
574 1 52 LEU QD 1 53 ILE H . . 5.000 4.263 4.215 4.306 . 0 0 "[ . 1 . 2]" 1
575 1 52 LEU QD 1 55 ALA MB . . 4.350 3.063 2.915 3.251 . 0 0 "[ . 1 . 2]" 1
576 1 52 LEU MD2 1 54 GLU H . . 5.500 5.612 5.591 5.639 0.139 13 0 "[ . 1 . 2]" 1
577 1 52 LEU MD2 1 55 ALA H . . 5.360 4.630 4.433 4.865 . 0 0 "[ . 1 . 2]" 1
578 1 53 ILE H 1 53 ILE HB . . 3.330 2.578 2.463 2.679 . 0 0 "[ . 1 . 2]" 1
579 1 53 ILE H 1 53 ILE MD . . 4.060 3.205 2.684 3.446 . 0 0 "[ . 1 . 2]" 1
580 1 53 ILE H 1 53 ILE HG12 . . 4.670 3.843 3.712 4.200 . 0 0 "[ . 1 . 2]" 1
581 1 53 ILE H 1 53 ILE HG13 . . 3.440 2.464 2.292 3.150 . 0 0 "[ . 1 . 2]" 1
582 1 53 ILE H 1 53 ILE MG . . 4.040 3.837 3.799 3.875 . 0 0 "[ . 1 . 2]" 1
583 1 53 ILE H 1 54 GLU H . . 3.430 2.887 2.686 3.082 . 0 0 "[ . 1 . 2]" 1
584 1 53 ILE HA 1 53 ILE MD . . 4.140 3.850 3.643 3.899 . 0 0 "[ . 1 . 2]" 1
585 1 53 ILE HA 1 53 ILE HG12 . . 3.950 2.802 2.633 3.296 . 0 0 "[ . 1 . 2]" 1
586 1 53 ILE HA 1 53 ILE HG13 . . 3.580 2.495 2.225 2.640 . 0 0 "[ . 1 . 2]" 1
587 1 53 ILE HA 1 53 ILE MG . . 3.380 2.371 2.255 2.452 . 0 0 "[ . 1 . 2]" 1
588 1 53 ILE HA 1 56 HIS H . . 4.630 3.963 3.853 4.139 . 0 0 "[ . 1 . 2]" 1
589 1 53 ILE HA 1 56 HIS HB2 . . 4.560 3.131 2.990 3.348 . 0 0 "[ . 1 . 2]" 1
590 1 53 ILE HA 1 57 LYS H . . 5.240 3.900 3.703 4.051 . 0 0 "[ . 1 . 2]" 1
591 1 53 ILE HB 1 53 ILE MD . . 3.700 2.344 2.171 2.477 . 0 0 "[ . 1 . 2]" 1
592 1 53 ILE MD 1 54 GLU H . . 5.350 4.437 4.199 4.650 . 0 0 "[ . 1 . 2]" 1
593 1 53 ILE HG13 1 54 GLU H . . 5.430 4.559 4.446 4.835 . 0 0 "[ . 1 . 2]" 1
594 1 53 ILE HG13 1 56 HIS HB2 . . 5.220 5.369 5.301 5.418 0.198 7 0 "[ . 1 . 2]" 1
595 1 53 ILE MG 1 54 GLU H . . 4.080 3.263 3.158 3.531 . 0 0 "[ . 1 . 2]" 1
596 1 53 ILE MG 1 54 GLU HA . . 4.220 3.222 2.919 3.511 . 0 0 "[ . 1 . 2]" 1
597 1 53 ILE MG 1 54 GLU HG3 . . 5.500 4.896 3.618 5.505 0.005 12 0 "[ . 1 . 2]" 1
598 1 53 ILE MG 1 55 ALA H . . 5.280 5.105 4.927 5.253 . 0 0 "[ . 1 . 2]" 1
599 1 53 ILE MG 1 56 HIS H . . 5.500 4.854 4.737 5.075 . 0 0 "[ . 1 . 2]" 1
600 1 53 ILE MG 1 56 HIS HB2 . . 5.440 4.457 4.280 4.739 . 0 0 "[ . 1 . 2]" 1
601 1 53 ILE MG 1 57 LYS H . . 5.330 3.807 3.667 4.070 . 0 0 "[ . 1 . 2]" 1
602 1 53 ILE MG 1 57 LYS QD . . 3.410 2.340 1.987 3.033 . 0 0 "[ . 1 . 2]" 1
603 1 53 ILE MG 1 57 LYS HE2 . . 3.920 3.885 3.460 3.987 0.067 18 0 "[ . 1 . 2]" 1
604 1 53 ILE MG 1 57 LYS HE3 . . 4.810 2.999 2.134 4.683 . 0 0 "[ . 1 . 2]" 1
605 1 54 GLU H 1 54 GLU QB . . 2.910 2.410 2.251 2.666 . 0 0 "[ . 1 . 2]" 1
606 1 54 GLU H 1 54 GLU HG2 . . 4.300 2.573 2.081 3.550 . 0 0 "[ . 1 . 2]" 1
607 1 54 GLU H 1 54 GLU HG3 . . 3.810 3.311 2.461 3.841 0.031 13 0 "[ . 1 . 2]" 1
608 1 54 GLU H 1 55 ALA H . . 3.420 2.823 2.576 3.044 . 0 0 "[ . 1 . 2]" 1
609 1 54 GLU H 1 55 ALA MB . . 5.290 4.360 4.148 4.565 . 0 0 "[ . 1 . 2]" 1
610 1 54 GLU H 1 57 LYS HB3 . . 4.630 4.824 4.777 4.938 0.308 15 0 "[ . 1 . 2]" 1
611 1 54 GLU HA 1 54 GLU QB . . 2.570 2.397 2.315 2.475 . 0 0 "[ . 1 . 2]" 1
612 1 54 GLU HA 1 54 GLU HG2 . . 3.320 2.801 2.246 3.388 0.068 19 0 "[ . 1 . 2]" 1
613 1 54 GLU HA 1 57 LYS H . . 3.810 3.290 3.110 3.501 . 0 0 "[ . 1 . 2]" 1
614 1 54 GLU HA 1 57 LYS HA . . 5.550 4.754 4.616 4.887 . 0 0 "[ . 1 . 2]" 1
615 1 54 GLU HA 1 57 LYS HB2 . . 3.760 2.189 2.086 2.345 . 0 0 "[ . 1 . 2]" 1
616 1 54 GLU HA 1 57 LYS HB3 . . 3.270 2.246 2.176 2.320 . 0 0 "[ . 1 . 2]" 1
617 1 54 GLU HA 1 57 LYS QD . . 3.940 2.433 2.094 2.957 . 0 0 "[ . 1 . 2]" 1
618 1 54 GLU HA 1 57 LYS HG2 . . 4.400 4.402 4.249 4.475 0.075 3 0 "[ . 1 . 2]" 1
619 1 54 GLU HA 1 57 LYS HG3 . . 5.030 3.916 3.690 4.190 . 0 0 "[ . 1 . 2]" 1
620 1 54 GLU HA 1 58 GLU H . . 4.570 3.979 3.817 4.168 . 0 0 "[ . 1 . 2]" 1
621 1 54 GLU QB 1 55 ALA H . . 3.270 2.463 2.370 2.578 . 0 0 "[ . 1 . 2]" 1
622 1 54 GLU QB 1 55 ALA HA . . 3.720 3.786 3.742 3.832 0.112 14 0 "[ . 1 . 2]" 1
623 1 54 GLU QB 1 55 ALA MB . . 4.660 3.714 3.659 3.820 . 0 0 "[ . 1 . 2]" 1
624 1 54 GLU HG2 1 55 ALA H . . 5.340 4.548 4.124 4.968 . 0 0 "[ . 1 . 2]" 1
625 1 55 ALA H 1 55 ALA MB . . 2.910 2.154 2.116 2.196 . 0 0 "[ . 1 . 2]" 1
626 1 55 ALA H 1 56 HIS H . . 3.540 2.672 2.596 2.800 . 0 0 "[ . 1 . 2]" 1
627 1 55 ALA HA 1 58 GLU H . . 4.290 4.167 3.836 4.320 0.030 13 0 "[ . 1 . 2]" 1
628 1 55 ALA MB 1 56 HIS H . . 3.550 2.506 2.330 2.731 . 0 0 "[ . 1 . 2]" 1
629 1 55 ALA MB 1 56 HIS HA . . 5.260 3.998 3.910 4.129 . 0 0 "[ . 1 . 2]" 1
630 1 55 ALA MB 1 56 HIS HB2 . . 4.920 4.256 4.098 4.454 . 0 0 "[ . 1 . 2]" 1
631 1 55 ALA MB 1 56 HIS HB3 . . 5.500 5.049 4.877 5.229 . 0 0 "[ . 1 . 2]" 1
632 1 55 ALA MB 1 57 LYS H . . 5.200 4.413 4.331 4.486 . 0 0 "[ . 1 . 2]" 1
633 1 55 ALA MB 1 58 GLU H . . 5.370 5.146 4.926 5.276 . 0 0 "[ . 1 . 2]" 1
634 1 56 HIS H 1 56 HIS HB2 . . 3.090 2.418 2.370 2.477 . 0 0 "[ . 1 . 2]" 1
635 1 56 HIS H 1 56 HIS HB3 . . 3.560 3.573 3.492 3.644 0.084 7 0 "[ . 1 . 2]" 1
636 1 56 HIS H 1 56 HIS HD2 . . 4.830 4.166 3.981 4.324 . 0 0 "[ . 1 . 2]" 1
637 1 56 HIS H 1 57 LYS H . . 3.230 2.389 2.247 2.636 . 0 0 "[ . 1 . 2]" 1
638 1 56 HIS H 1 57 LYS HB3 . . 4.700 4.721 4.623 4.781 0.081 15 0 "[ . 1 . 2]" 1
639 1 56 HIS H 1 59 CYS HB3 . . 6.500 5.576 5.339 5.771 . 0 0 "[ . 1 . 2]" 1
640 1 56 HIS HA 1 56 HIS HD2 . . 4.940 4.750 4.706 4.783 . 0 0 "[ . 1 . 2]" 1
641 1 56 HIS HA 1 57 LYS HA . . 6.000 4.899 4.839 4.980 . 0 0 "[ . 1 . 2]" 1
642 1 56 HIS HA 1 58 GLU H . . 5.090 4.451 4.260 4.664 . 0 0 "[ . 1 . 2]" 1
643 1 56 HIS HA 1 59 CYS H . . 4.550 3.273 3.086 3.487 . 0 0 "[ . 1 . 2]" 1
644 1 56 HIS HA 1 59 CYS HA . . 5.460 5.192 4.849 5.410 . 0 0 "[ . 1 . 2]" 1
645 1 56 HIS HA 1 59 CYS HB2 . . 3.930 3.005 2.767 3.324 . 0 0 "[ . 1 . 2]" 1
646 1 56 HIS HA 1 59 CYS HB3 . . 3.730 2.819 2.569 3.077 . 0 0 "[ . 1 . 2]" 1
647 1 56 HIS HB2 1 56 HIS HD2 . . 3.590 2.807 2.729 2.892 . 0 0 "[ . 1 . 2]" 1
648 1 56 HIS HB2 1 57 LYS H . . 3.770 2.980 2.838 3.132 . 0 0 "[ . 1 . 2]" 1
649 1 56 HIS HB2 1 57 LYS HA . . 6.000 4.567 4.433 4.718 . 0 0 "[ . 1 . 2]" 1
650 1 56 HIS HB2 1 59 CYS HB3 . . 5.000 5.166 5.114 5.254 0.254 1 0 "[ . 1 . 2]" 1
651 1 56 HIS HB3 1 57 LYS H . . 4.560 3.885 3.798 3.996 . 0 0 "[ . 1 . 2]" 1
652 1 56 HIS HB3 1 57 LYS HA . . 4.700 4.796 4.752 4.831 0.131 14 0 "[ . 1 . 2]" 1
653 1 56 HIS HB3 1 59 CYS HB2 . . 6.000 4.923 4.695 5.165 . 0 0 "[ . 1 . 2]" 1
654 1 56 HIS HB3 1 60 MET H . . 6.000 4.885 4.648 5.206 . 0 0 "[ . 1 . 2]" 1
655 1 57 LYS H 1 57 LYS HB2 . . 3.380 1.886 1.828 1.947 . 0 0 "[ . 1 . 2]" 1
656 1 57 LYS H 1 57 LYS HB3 . . 3.740 2.734 2.572 2.833 . 0 0 "[ . 1 . 2]" 1
657 1 57 LYS H 1 57 LYS HG2 . . 4.440 4.282 4.113 4.352 . 0 0 "[ . 1 . 2]" 1
658 1 57 LYS H 1 57 LYS HG3 . . 3.510 3.628 3.592 3.682 0.172 18 0 "[ . 1 . 2]" 1
659 1 57 LYS H 1 58 GLU H . . 3.500 2.899 2.788 2.987 . 0 0 "[ . 1 . 2]" 1
660 1 57 LYS H 1 67 ILE MG . . 5.500 5.306 4.945 5.523 0.023 18 0 "[ . 1 . 2]" 1
661 1 57 LYS HA 1 57 LYS HB3 . . 3.020 3.075 3.056 3.099 0.079 17 0 "[ . 1 . 2]" 1
662 1 57 LYS HA 1 57 LYS HG2 . . 3.480 2.595 2.295 2.749 . 0 0 "[ . 1 . 2]" 1
663 1 57 LYS HA 1 57 LYS HG3 . . 3.850 2.519 2.209 2.805 . 0 0 "[ . 1 . 2]" 1
664 1 57 LYS HA 1 59 CYS H . . 4.750 4.309 4.073 4.614 . 0 0 "[ . 1 . 2]" 1
665 1 57 LYS HA 1 60 MET H . . 4.090 3.452 3.113 3.792 . 0 0 "[ . 1 . 2]" 1
666 1 57 LYS HA 1 60 MET HB2 . . 4.760 2.820 2.499 3.241 . 0 0 "[ . 1 . 2]" 1
667 1 57 LYS HA 1 61 ARG H . . 4.410 4.040 3.794 4.290 . 0 0 "[ . 1 . 2]" 1
668 1 57 LYS HA 1 67 ILE MD . . 5.520 4.316 3.778 4.929 . 0 0 "[ . 1 . 2]" 1
669 1 57 LYS HA 1 67 ILE HG13 . . 4.340 4.021 3.469 4.395 0.055 12 0 "[ . 1 . 2]" 1
670 1 57 LYS HA 1 67 ILE MG . . 3.760 3.744 3.293 3.839 0.079 19 0 "[ . 1 . 2]" 1
671 1 57 LYS HB2 1 57 LYS QD . . 3.520 2.455 2.289 2.834 . 0 0 "[ . 1 . 2]" 1
672 1 57 LYS HB2 1 57 LYS HE3 . . 5.450 4.209 3.869 4.666 . 0 0 "[ . 1 . 2]" 1
673 1 57 LYS HB2 1 58 GLU H . . 3.260 3.380 3.334 3.481 0.221 4 0 "[ . 1 . 2]" 1
674 1 57 LYS HB3 1 58 GLU H . . 4.200 2.452 2.238 2.625 . 0 0 "[ . 1 . 2]" 1
675 1 57 LYS QD 1 58 GLU H . . 5.030 4.462 3.984 5.088 0.058 2 0 "[ . 1 . 2]" 1
676 1 57 LYS QD 1 67 ILE MG . . 3.520 2.712 2.219 3.531 0.011 18 0 "[ . 1 . 2]" 1
677 1 57 LYS HE2 1 67 ILE MG . . 5.300 2.657 1.992 4.001 . 0 0 "[ . 1 . 2]" 1
678 1 57 LYS HE3 1 57 LYS HG2 . . 3.900 3.194 2.480 3.762 . 0 0 "[ . 1 . 2]" 1
679 1 57 LYS HE3 1 67 ILE HG13 . . 4.630 4.414 3.792 4.674 0.044 3 0 "[ . 1 . 2]" 1
680 1 57 LYS HE3 1 67 ILE MG . . 4.060 3.583 1.923 4.082 0.022 12 0 "[ . 1 . 2]" 1
681 1 57 LYS HG2 1 67 ILE MG . . 6.000 2.111 2.032 2.187 . 0 0 "[ . 1 . 2]" 1
682 1 57 LYS HG3 1 67 ILE HG13 . . 5.630 3.644 3.208 4.111 . 0 0 "[ . 1 . 2]" 1
683 1 57 LYS HG3 1 67 ILE MG . . 3.920 3.534 3.436 3.620 . 0 0 "[ . 1 . 2]" 1
684 1 58 GLU H 1 58 GLU HB2 . . 4.050 3.444 1.976 3.918 . 0 0 "[ . 1 . 2]" 1
685 1 58 GLU H 1 58 GLU HB3 . . 3.230 2.852 2.221 3.243 0.013 6 0 "[ . 1 . 2]" 1
686 1 58 GLU H 1 58 GLU HG2 . . 3.840 2.793 2.020 4.079 0.239 6 0 "[ . 1 . 2]" 1
687 1 58 GLU H 1 58 GLU HG3 . . 4.040 3.245 2.354 4.160 0.120 3 0 "[ . 1 . 2]" 1
688 1 58 GLU H 1 59 CYS H . . 3.340 2.824 2.651 2.966 . 0 0 "[ . 1 . 2]" 1
689 1 58 GLU H 1 59 CYS HB3 . . 5.260 5.201 5.036 5.288 0.028 6 0 "[ . 1 . 2]" 1
690 1 58 GLU H 1 60 MET H . . 5.120 4.501 4.300 4.744 . 0 0 "[ . 1 . 2]" 1
691 1 58 GLU HA 1 58 GLU HB2 . . 3.010 2.433 2.082 2.907 . 0 0 "[ . 1 . 2]" 1
692 1 58 GLU HA 1 58 GLU HG2 . . 3.560 3.465 2.134 3.858 0.298 2 0 "[ . 1 . 2]" 1
693 1 58 GLU HA 1 58 GLU HG3 . . 4.120 3.515 2.144 3.849 . 0 0 "[ . 1 . 2]" 1
694 1 58 GLU HA 1 59 CYS H . . 3.430 3.488 3.455 3.511 0.081 3 0 "[ . 1 . 2]" 1
695 1 58 GLU HA 1 61 ARG H . . 3.880 3.287 2.881 3.671 . 0 0 "[ . 1 . 2]" 1
696 1 58 GLU HA 1 61 ARG QB . . 3.260 2.765 2.078 3.270 0.010 5 0 "[ . 1 . 2]" 1
697 1 58 GLU HA 1 61 ARG QD . . 3.990 2.741 2.116 3.591 . 0 0 "[ . 1 . 2]" 1
698 1 58 GLU HA 1 61 ARG HD3 . . 4.330 3.071 2.128 3.749 . 0 0 "[ . 1 . 2]" 1
699 1 58 GLU HA 1 62 ALA H . . 4.460 4.013 3.617 4.370 . 0 0 "[ . 1 . 2]" 1
700 1 58 GLU HA 1 62 ALA MB . . 5.410 4.745 4.471 5.173 . 0 0 "[ . 1 . 2]" 1
701 1 58 GLU HA 1 67 ILE MG . . 3.900 3.711 2.994 3.952 0.052 15 0 "[ . 1 . 2]" 1
702 1 58 GLU HB2 1 59 CYS H . . 3.850 3.689 2.937 3.910 0.060 7 0 "[ . 1 . 2]" 1
703 1 58 GLU HB2 1 59 CYS HA . . 4.700 4.642 4.227 4.965 0.265 3 0 "[ . 1 . 2]" 1
704 1 58 GLU HG2 1 59 CYS H . . 5.310 3.500 2.835 4.553 . 0 0 "[ . 1 . 2]" 1
705 1 58 GLU HG3 1 59 CYS H . . 5.250 2.800 1.851 4.755 . 0 0 "[ . 1 . 2]" 1
706 1 58 GLU HG3 1 59 CYS HA . . 5.540 4.139 3.017 5.710 0.170 6 0 "[ . 1 . 2]" 1
707 1 59 CYS H 1 59 CYS HB2 . . 3.360 2.335 2.201 2.467 . 0 0 "[ . 1 . 2]" 1
708 1 59 CYS H 1 59 CYS HB3 . . 3.330 2.711 2.547 2.789 . 0 0 "[ . 1 . 2]" 1
709 1 59 CYS H 1 60 MET H . . 3.400 2.851 2.727 2.978 . 0 0 "[ . 1 . 2]" 1
710 1 59 CYS H 1 61 ARG H . . 5.260 4.186 3.823 4.373 . 0 0 "[ . 1 . 2]" 1
711 1 59 CYS HA 1 61 ARG H . . 4.870 4.630 4.329 4.870 0.000 11 0 "[ . 1 . 2]" 1
712 1 59 CYS HA 1 62 ALA MB . . 3.750 3.152 2.691 3.609 . 0 0 "[ . 1 . 2]" 1
713 1 59 CYS HA 1 63 LEU MD2 . . 5.760 4.872 4.273 5.409 . 0 0 "[ . 1 . 2]" 1
714 1 59 CYS HB2 1 60 MET H . . 4.170 3.814 3.708 3.906 . 0 0 "[ . 1 . 2]" 1
715 1 59 CYS HB2 1 60 MET HA . . 5.930 5.862 5.695 5.944 0.014 3 0 "[ . 1 . 2]" 1
716 1 59 CYS HB3 1 60 MET H . . 3.790 2.688 2.464 2.951 . 0 0 "[ . 1 . 2]" 1
717 1 60 MET H 1 60 MET HB2 . . 3.250 2.303 2.168 2.392 . 0 0 "[ . 1 . 2]" 1
718 1 60 MET H 1 60 MET HB3 . . 3.770 3.549 3.472 3.593 . 0 0 "[ . 1 . 2]" 1
719 1 60 MET H 1 60 MET QG . . 3.610 2.989 2.219 3.641 0.031 18 0 "[ . 1 . 2]" 1
720 1 60 MET H 1 61 ARG H . . 3.600 2.844 2.663 2.983 . 0 0 "[ . 1 . 2]" 1
721 1 60 MET H 1 63 LEU MD2 . . 6.000 5.375 4.777 5.734 . 0 0 "[ . 1 . 2]" 1
722 1 60 MET H 1 65 PHE QD . . 5.500 5.438 5.271 5.513 0.013 11 0 "[ . 1 . 2]" 1
723 1 60 MET H 1 67 ILE MD . . 5.400 4.808 4.487 5.247 . 0 0 "[ . 1 . 2]" 1
724 1 60 MET H 1 67 ILE HG12 . . 4.740 4.580 4.240 4.761 0.021 10 0 "[ . 1 . 2]" 1
725 1 60 MET HA 1 60 MET QG . . 3.130 2.270 2.193 2.412 . 0 0 "[ . 1 . 2]" 1
726 1 60 MET HA 1 63 LEU H . . 4.020 3.758 3.424 4.052 0.032 6 0 "[ . 1 . 2]" 1
727 1 60 MET HA 1 63 LEU MD2 . . 3.840 3.590 2.998 3.897 0.057 20 0 "[ . 1 . 2]" 1
728 1 60 MET HA 1 63 LEU HG . . 4.230 2.806 2.280 3.788 . 0 0 "[ . 1 . 2]" 1
729 1 60 MET HA 1 65 PHE QD . . 3.930 3.539 3.191 3.806 . 0 0 "[ . 1 . 2]" 1
730 1 60 MET HA 1 65 PHE QE . . 3.910 3.909 3.587 3.974 0.064 5 0 "[ . 1 . 2]" 1
731 1 60 MET HB2 1 67 ILE HG13 . . 4.900 4.083 3.666 4.547 . 0 0 "[ . 1 . 2]" 1
732 1 60 MET HB3 1 61 ARG H . . 3.520 3.448 3.175 3.582 0.062 4 0 "[ . 1 . 2]" 1
733 1 60 MET HB3 1 65 PHE HB2 . . 3.940 2.952 2.407 3.668 . 0 0 "[ . 1 . 2]" 1
734 1 60 MET HB3 1 65 PHE HB3 . . 4.220 3.478 2.563 4.260 0.040 2 0 "[ . 1 . 2]" 1
735 1 60 MET HB3 1 65 PHE QD . . 4.730 2.248 2.161 2.367 . 0 0 "[ . 1 . 2]" 1
736 1 60 MET HB3 1 67 ILE MD . . 3.380 2.332 2.137 2.573 . 0 0 "[ . 1 . 2]" 1
737 1 60 MET HB3 1 67 ILE HG13 . . 6.000 4.373 3.953 4.707 . 0 0 "[ . 1 . 2]" 1
738 1 60 MET QG 1 65 PHE QD . . 3.850 2.774 2.263 3.503 . 0 0 "[ . 1 . 2]" 1
739 1 61 ARG H 1 61 ARG QB . . 3.020 2.184 2.040 2.277 . 0 0 "[ . 1 . 2]" 1
740 1 61 ARG H 1 61 ARG HD3 . . 5.050 4.746 3.983 5.114 0.064 16 0 "[ . 1 . 2]" 1
741 1 61 ARG H 1 61 ARG HG2 . . 5.500 3.657 2.952 4.567 . 0 0 "[ . 1 . 2]" 1
742 1 61 ARG H 1 62 ALA H . . 3.300 2.861 2.779 3.058 . 0 0 "[ . 1 . 2]" 1
743 1 61 ARG H 1 62 ALA MB . . 5.230 4.417 4.259 4.580 . 0 0 "[ . 1 . 2]" 1
744 1 61 ARG H 1 63 LEU H . . 4.870 4.406 4.207 4.644 . 0 0 "[ . 1 . 2]" 1
745 1 61 ARG H 1 65 PHE QD . . 5.500 5.219 4.832 5.427 . 0 0 "[ . 1 . 2]" 1
746 1 61 ARG H 1 67 ILE MD . . 5.050 3.607 3.276 4.029 . 0 0 "[ . 1 . 2]" 1
747 1 61 ARG H 1 67 ILE HG13 . . 4.780 4.711 4.421 4.823 0.043 10 0 "[ . 1 . 2]" 1
748 1 61 ARG HA 1 61 ARG QB . . 2.730 2.211 2.078 2.445 . 0 0 "[ . 1 . 2]" 1
749 1 61 ARG HA 1 61 ARG HD2 . . 5.300 4.583 4.261 4.859 . 0 0 "[ . 1 . 2]" 1
750 1 61 ARG HA 1 61 ARG HG2 . . 4.120 3.637 3.100 3.909 . 0 0 "[ . 1 . 2]" 1
751 1 61 ARG HA 1 61 ARG HG3 . . 3.460 3.207 2.483 3.556 0.096 14 0 "[ . 1 . 2]" 1
752 1 61 ARG HA 1 63 LEU H . . 4.000 3.876 3.678 4.048 0.048 16 0 "[ . 1 . 2]" 1
753 1 61 ARG HA 1 63 LEU HG . . 6.000 5.584 5.106 6.053 0.053 16 0 "[ . 1 . 2]" 1
754 1 61 ARG HA 1 64 GLY H . . 4.180 3.704 3.387 3.994 . 0 0 "[ . 1 . 2]" 1
755 1 61 ARG HA 1 64 GLY HA2 . . 4.530 4.553 4.474 4.590 0.060 16 0 "[ . 1 . 2]" 1
756 1 61 ARG HA 1 65 PHE H . . 3.620 2.922 2.662 3.296 . 0 0 "[ . 1 . 2]" 1
757 1 61 ARG HA 1 65 PHE HA . . 5.560 4.989 4.641 5.149 . 0 0 "[ . 1 . 2]" 1
758 1 61 ARG HA 1 65 PHE HB2 . . 4.980 2.803 2.482 2.988 . 0 0 "[ . 1 . 2]" 1
759 1 61 ARG HA 1 65 PHE HB3 . . 4.210 4.246 4.004 4.293 0.083 8 0 "[ . 1 . 2]" 1
760 1 61 ARG HA 1 67 ILE MD . . 3.330 2.788 2.375 3.343 0.013 3 0 "[ . 1 . 2]" 1
761 1 61 ARG QB 1 61 ARG HD2 . . 3.650 2.357 2.170 2.629 . 0 0 "[ . 1 . 2]" 1
762 1 61 ARG QB 1 61 ARG QD . . 3.270 2.168 2.038 2.330 . 0 0 "[ . 1 . 2]" 1
763 1 61 ARG QB 1 61 ARG HD3 . . 3.500 2.721 2.233 3.331 . 0 0 "[ . 1 . 2]" 1
764 1 61 ARG QB 1 62 ALA H . . 3.440 3.171 2.474 3.491 0.051 10 0 "[ . 1 . 2]" 1
765 1 61 ARG QB 1 62 ALA HA . . 4.920 4.633 4.117 4.903 . 0 0 "[ . 1 . 2]" 1
766 1 61 ARG QB 1 62 ALA MB . . 5.560 4.475 3.857 4.810 . 0 0 "[ . 1 . 2]" 1
767 1 61 ARG QD 1 67 ILE MG . . 4.850 2.568 2.073 2.961 . 0 0 "[ . 1 . 2]" 1
768 1 61 ARG HD2 1 67 ILE HG12 . . 5.200 4.968 4.514 5.235 0.035 19 0 "[ . 1 . 2]" 1
769 1 61 ARG HD3 1 62 ALA H . . 5.470 4.796 4.581 5.025 . 0 0 "[ . 1 . 2]" 1
770 1 61 ARG HG2 1 62 ALA HA . . 4.050 3.837 3.564 4.081 0.031 11 0 "[ . 1 . 2]" 1
771 1 61 ARG HG3 1 62 ALA H . . 4.710 3.758 2.936 4.753 0.043 12 0 "[ . 1 . 2]" 1
772 1 62 ALA H 1 62 ALA MB . . 3.130 2.187 2.137 2.218 . 0 0 "[ . 1 . 2]" 1
773 1 62 ALA H 1 63 LEU H . . 3.250 2.910 2.818 3.070 . 0 0 "[ . 1 . 2]" 1
774 1 62 ALA H 1 63 LEU MD2 . . 5.310 4.464 3.643 5.051 . 0 0 "[ . 1 . 2]" 1
775 1 62 ALA H 1 67 ILE MG . . 5.500 5.465 5.183 5.580 0.080 16 0 "[ . 1 . 2]" 1
776 1 62 ALA HA 1 63 LEU MD2 . . 5.330 4.850 4.453 5.256 . 0 0 "[ . 1 . 2]" 1
777 1 62 ALA MB 1 63 LEU H . . 3.910 2.871 2.730 3.034 . 0 0 "[ . 1 . 2]" 1
778 1 63 LEU H 1 63 LEU HB2 . . 3.960 2.390 2.167 2.546 . 0 0 "[ . 1 . 2]" 1
779 1 63 LEU H 1 63 LEU HB3 . . 3.660 3.525 3.448 3.571 . 0 0 "[ . 1 . 2]" 1
780 1 63 LEU H 1 63 LEU MD1 . . 4.930 3.821 3.503 4.148 . 0 0 "[ . 1 . 2]" 1
781 1 63 LEU H 1 63 LEU MD2 . . 3.700 2.662 1.992 3.168 . 0 0 "[ . 1 . 2]" 1
782 1 63 LEU H 1 63 LEU HG . . 3.500 2.706 2.001 3.503 0.003 4 0 "[ . 1 . 2]" 1
783 1 63 LEU H 1 64 GLY H . . 3.320 2.692 2.526 2.823 . 0 0 "[ . 1 . 2]" 1
784 1 63 LEU H 1 64 GLY HA2 . . 5.020 4.929 4.826 5.038 0.018 9 0 "[ . 1 . 2]" 1
785 1 63 LEU H 1 64 GLY HA3 . . 6.000 5.382 5.274 5.494 . 0 0 "[ . 1 . 2]" 1
786 1 63 LEU H 1 65 PHE HB2 . . 4.580 4.356 4.198 4.537 . 0 0 "[ . 1 . 2]" 1
787 1 63 LEU HA 1 63 LEU MD2 . . 4.130 2.269 2.152 2.490 . 0 0 "[ . 1 . 2]" 1
788 1 63 LEU HA 1 64 GLY HA3 . . 5.030 4.745 4.681 4.818 . 0 0 "[ . 1 . 2]" 1
789 1 63 LEU HB2 1 64 GLY H . . 4.800 3.260 2.990 3.467 . 0 0 "[ . 1 . 2]" 1
790 1 63 LEU HB2 1 65 PHE HZ . . 5.300 4.410 4.157 4.682 . 0 0 "[ . 1 . 2]" 1
791 1 63 LEU HB3 1 63 LEU MD2 . . 3.300 2.845 2.468 3.281 . 0 0 "[ . 1 . 2]" 1
792 1 63 LEU HB3 1 64 GLY HA2 . . 5.510 5.494 5.152 5.632 0.122 17 0 "[ . 1 . 2]" 1
793 1 63 LEU HB3 1 64 GLY HA3 . . 6.000 4.841 4.450 5.078 . 0 0 "[ . 1 . 2]" 1
794 1 63 LEU HB3 1 65 PHE HB2 . . 4.870 4.838 4.409 4.946 0.076 3 0 "[ . 1 . 2]" 1
795 1 63 LEU HB3 1 65 PHE HB3 . . 6.000 5.783 5.283 6.010 0.010 8 0 "[ . 1 . 2]" 1
796 1 63 LEU HB3 1 65 PHE QD . . 3.270 3.013 2.716 3.285 0.015 6 0 "[ . 1 . 2]" 1
797 1 63 LEU HB3 1 65 PHE QE . . 3.630 2.763 2.506 3.254 . 0 0 "[ . 1 . 2]" 1
798 1 63 LEU HB3 1 65 PHE HZ . . 4.700 4.016 3.730 4.469 . 0 0 "[ . 1 . 2]" 1
799 1 63 LEU MD1 1 64 GLY H . . 5.500 5.127 4.902 5.281 . 0 0 "[ . 1 . 2]" 1
800 1 63 LEU MD1 1 65 PHE HA . . 6.000 5.758 5.341 6.068 0.068 6 0 "[ . 1 . 2]" 1
801 1 63 LEU MD1 1 65 PHE QD . . 5.040 3.568 3.119 4.129 . 0 0 "[ . 1 . 2]" 1
802 1 63 LEU MD1 1 65 PHE QE . . 4.180 2.642 2.439 3.045 . 0 0 "[ . 1 . 2]" 1
803 1 63 LEU MD2 1 64 GLY H . . 5.380 4.512 4.297 4.723 . 0 0 "[ . 1 . 2]" 1
804 1 63 LEU MD2 1 65 PHE H . . 5.500 5.131 4.700 5.538 0.038 8 0 "[ . 1 . 2]" 1
805 1 63 LEU MD2 1 65 PHE QD . . 4.720 4.693 4.359 4.793 0.073 5 0 "[ . 1 . 2]" 1
806 1 63 LEU MD2 1 65 PHE HZ . . 5.200 4.570 4.244 5.192 . 0 0 "[ . 1 . 2]" 1
807 1 63 LEU HG 1 65 PHE HB2 . . 6.000 4.778 4.492 4.974 . 0 0 "[ . 1 . 2]" 1
808 1 63 LEU HG 1 65 PHE QD . . 4.920 4.193 3.554 4.650 . 0 0 "[ . 1 . 2]" 1
809 1 63 LEU HG 1 65 PHE HZ . . 4.860 4.321 3.181 4.980 0.120 19 0 "[ . 1 . 2]" 1
810 1 64 GLY HA2 1 65 PHE HA . . 4.680 4.668 4.557 4.742 0.062 20 0 "[ . 1 . 2]" 1
811 1 64 GLY HA2 1 65 PHE HB2 . . 5.570 5.141 4.987 5.315 . 0 0 "[ . 1 . 2]" 1
812 1 64 GLY HA3 1 65 PHE HA . . 5.650 4.706 4.592 4.854 . 0 0 "[ . 1 . 2]" 1
813 1 64 GLY HA3 1 65 PHE QD . . 5.000 4.376 3.850 4.961 . 0 0 "[ . 1 . 2]" 1
814 1 65 PHE H 1 65 PHE HB2 . . 4.090 2.339 2.136 2.509 . 0 0 "[ . 1 . 2]" 1
815 1 65 PHE H 1 65 PHE HB3 . . 4.060 3.569 3.414 3.656 . 0 0 "[ . 1 . 2]" 1
816 1 65 PHE H 1 65 PHE QD . . 4.340 2.954 2.547 3.338 . 0 0 "[ . 1 . 2]" 1
817 1 65 PHE HA 1 65 PHE QD . . 3.690 2.496 2.157 2.824 . 0 0 "[ . 1 . 2]" 1
818 1 65 PHE HA 1 66 LYS H . . 3.410 2.598 2.178 3.419 0.009 16 0 "[ . 1 . 2]" 1
819 1 65 PHE HA 1 66 LYS QD . . 4.630 4.357 2.795 4.748 0.118 5 0 "[ . 1 . 2]" 1
820 1 65 PHE HA 1 67 ILE MD . . 5.980 3.911 3.744 4.117 . 0 0 "[ . 1 . 2]" 1
821 1 65 PHE HB2 1 66 LYS H . . 4.600 3.380 3.086 3.770 . 0 0 "[ . 1 . 2]" 1
822 1 65 PHE HB2 1 66 LYS HG3 . . 5.480 5.519 5.360 5.564 0.084 16 0 "[ . 1 . 2]" 1
823 1 65 PHE HB2 1 67 ILE MD . . 4.080 2.201 2.123 2.320 . 0 0 "[ . 1 . 2]" 1
824 1 65 PHE HB2 1 67 ILE HG13 . . 5.090 5.093 4.936 5.174 0.084 5 0 "[ . 1 . 2]" 1
825 1 65 PHE HB3 1 66 LYS H . . 5.100 2.282 1.791 4.071 . 0 0 "[ . 1 . 2]" 1
826 1 65 PHE HB3 1 66 LYS HG3 . . 5.320 4.277 3.974 5.146 . 0 0 "[ . 1 . 2]" 1
827 1 65 PHE HB3 1 67 ILE MD . . 4.620 2.224 2.084 2.429 . 0 0 "[ . 1 . 2]" 1
828 1 65 PHE HB3 1 67 ILE HG13 . . 5.080 4.992 4.841 5.110 0.030 18 0 "[ . 1 . 2]" 1
829 1 65 PHE QD 1 66 LYS H . . 5.300 4.119 3.808 4.916 . 0 0 "[ . 1 . 2]" 1
830 1 65 PHE QD 1 67 ILE MD . . 5.350 2.965 2.751 3.346 . 0 0 "[ . 1 . 2]" 1
831 1 66 LYS H 1 66 LYS QD . . 4.030 3.319 1.873 4.152 0.122 6 0 "[ . 1 . 2]" 1
832 1 66 LYS H 1 66 LYS HG3 . . 5.500 2.712 2.179 3.826 . 0 0 "[ . 1 . 2]" 1
833 1 66 LYS H 1 67 ILE HA . . 5.010 5.040 4.745 5.133 0.123 10 0 "[ . 1 . 2]" 1
834 1 66 LYS H 1 67 ILE MD . . 5.500 2.699 2.368 3.035 . 0 0 "[ . 1 . 2]" 1
835 1 66 LYS HA 1 66 LYS QD . . 3.850 3.556 2.724 4.060 0.210 20 0 "[ . 1 . 2]" 1
836 1 66 LYS HA 1 66 LYS HG3 . . 3.500 3.442 2.698 3.676 0.176 3 0 "[ . 1 . 2]" 1
837 1 66 LYS HA 1 67 ILE H . . 2.720 2.512 1.894 2.890 0.170 20 0 "[ . 1 . 2]" 1
838 1 66 LYS HA 1 67 ILE MD . . 3.990 3.832 3.313 4.032 0.042 12 0 "[ . 1 . 2]" 1
839 1 66 LYS QB 1 66 LYS HG2 . . 2.680 2.435 2.144 2.619 . 0 0 "[ . 1 . 2]" 1
840 1 66 LYS QB 1 67 ILE MD . . 4.720 3.744 3.244 4.260 . 0 0 "[ . 1 . 2]" 1
841 1 66 LYS QB 1 67 ILE MG . . 6.000 5.950 5.734 6.079 0.079 19 0 "[ . 1 . 2]" 1
842 1 66 LYS QD 1 67 ILE H . . 5.110 5.123 4.559 5.264 0.154 2 0 "[ . 1 . 2]" 1
843 1 66 LYS HG3 1 67 ILE H . . 5.260 4.780 3.742 5.286 0.026 4 0 "[ . 1 . 2]" 1
844 1 67 ILE H 1 67 ILE HB . . 3.270 2.361 2.039 2.641 . 0 0 "[ . 1 . 2]" 1
845 1 67 ILE H 1 67 ILE MD . . 4.140 2.447 1.983 2.917 . 0 0 "[ . 1 . 2]" 1
846 1 67 ILE H 1 67 ILE HG12 . . 4.240 4.133 3.724 4.276 0.036 6 0 "[ . 1 . 2]" 1
847 1 67 ILE H 1 67 ILE HG13 . . 4.100 4.065 3.690 4.147 0.047 6 0 "[ . 1 . 2]" 1
848 1 67 ILE HA 1 67 ILE MD . . 3.060 2.800 2.359 3.079 0.019 5 0 "[ . 1 . 2]" 1
849 1 67 ILE HA 1 67 ILE HG13 . . 3.530 2.581 2.284 2.920 . 0 0 "[ . 1 . 2]" 1
850 1 67 ILE HA 1 67 ILE MG . . 3.220 2.586 2.375 2.920 . 0 0 "[ . 1 . 2]" 1
851 1 67 ILE HG13 1 67 ILE MG . . 2.830 2.383 2.236 2.569 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 8:18:28 AM GMT (wattos1)