NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451484 |
2row   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2row
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 1637
_Distance_constraint_stats_list.Viol_count 1042
_Distance_constraint_stats_list.Viol_total 380.553
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0183
_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 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 5 GLU 0.042 0.011 5 0 "[ . 1 . 2]"
1 6 PRO 0.107 0.019 19 0 "[ . 1 . 2]"
1 7 GLU 0.269 0.069 16 0 "[ . 1 . 2]"
1 8 PHE 0.161 0.069 16 0 "[ . 1 . 2]"
1 9 PRO 0.074 0.042 16 0 "[ . 1 . 2]"
1 10 VAL 0.038 0.009 8 0 "[ . 1 . 2]"
1 11 GLU 0.122 0.034 10 0 "[ . 1 . 2]"
1 12 PRO 0.431 0.135 10 0 "[ . 1 . 2]"
1 13 VAL 0.135 0.073 17 0 "[ . 1 . 2]"
1 14 GLY 0.039 0.017 1 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.053 0.009 12 0 "[ . 1 . 2]"
1 18 ASN 0.059 0.009 12 0 "[ . 1 . 2]"
1 19 TYR 0.402 0.021 9 0 "[ . 1 . 2]"
1 20 ILE 0.307 0.094 5 0 "[ . 1 . 2]"
1 21 CYS 0.006 0.006 7 0 "[ . 1 . 2]"
1 22 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.585 0.034 20 0 "[ . 1 . 2]"
1 24 GLY 1.825 0.078 5 0 "[ . 1 . 2]"
1 25 HIS 1.084 0.051 4 0 "[ . 1 . 2]"
1 26 GLU 0.793 0.046 7 0 "[ . 1 . 2]"
1 27 PHE 1.604 0.054 4 0 "[ . 1 . 2]"
1 28 ILE 2.391 0.054 4 0 "[ . 1 . 2]"
1 29 PRO 2.419 0.067 8 0 "[ . 1 . 2]"
1 30 THR 1.322 0.135 10 0 "[ . 1 . 2]"
1 31 LEU 0.554 0.032 12 0 "[ . 1 . 2]"
1 32 TYR 0.258 0.016 6 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.500 0.034 16 0 "[ . 1 . 2]"
1 35 PRO 0.239 0.034 16 0 "[ . 1 . 2]"
1 36 THR 0.547 0.079 4 0 "[ . 1 . 2]"
1 37 ASN 0.017 0.007 1 0 "[ . 1 . 2]"
1 38 CYS 1.121 0.051 9 0 "[ . 1 . 2]"
1 39 GLU 0.069 0.013 2 0 "[ . 1 . 2]"
1 40 ALA 0.003 0.003 15 0 "[ . 1 . 2]"
1 41 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 MET 0.007 0.004 11 0 "[ . 1 . 2]"
1 43 LYS 0.043 0.010 2 0 "[ . 1 . 2]"
1 44 PRO 0.057 0.010 2 0 "[ . 1 . 2]"
1 45 LEU 2.162 0.119 14 0 "[ . 1 . 2]"
1 46 TRP 0.281 0.019 6 0 "[ . 1 . 2]"
1 47 HIS 0.027 0.006 9 0 "[ . 1 . 2]"
1 48 MET 0.332 0.061 18 0 "[ . 1 . 2]"
1 49 PHE 0.415 0.061 18 0 "[ . 1 . 2]"
1 50 LYS 0.123 0.013 10 0 "[ . 1 . 2]"
1 51 PRO 1.180 0.034 13 0 "[ . 1 . 2]"
1 52 PRO 0.574 0.034 13 0 "[ . 1 . 2]"
1 53 PRO 0.074 0.015 3 0 "[ . 1 . 2]"
1 54 ALA 0.767 0.063 15 0 "[ . 1 . 2]"
1 55 LEU 0.110 0.040 15 0 "[ . 1 . 2]"
1 56 GLU 0.349 0.023 15 0 "[ . 1 . 2]"
1 57 CYS 0.326 0.043 16 0 "[ . 1 . 2]"
1 58 ARG 0.116 0.018 1 0 "[ . 1 . 2]"
1 59 ARG 0.769 0.046 7 0 "[ . 1 . 2]"
1 60 CYS 1.365 0.105 15 0 "[ . 1 . 2]"
1 61 HIS 0.312 0.043 16 0 "[ . 1 . 2]"
1 62 ILE 0.182 0.018 7 0 "[ . 1 . 2]"
1 63 LYS 1.644 0.119 14 0 "[ . 1 . 2]"
1 64 CYS 0.798 0.051 9 0 "[ . 1 . 2]"
1 65 HIS 1.125 0.069 8 0 "[ . 1 . 2]"
1 66 LYS 0.548 0.021 20 0 "[ . 1 . 2]"
1 67 ASP 0.009 0.007 4 0 "[ . 1 . 2]"
1 68 HIS 1.361 0.069 8 0 "[ . 1 . 2]"
1 69 MET 0.348 0.094 5 0 "[ . 1 . 2]"
1 70 ASP 0.106 0.012 17 0 "[ . 1 . 2]"
1 71 LYS 0.117 0.012 19 0 "[ . 1 . 2]"
1 72 LYS 0.100 0.012 19 0 "[ . 1 . 2]"
1 73 GLU 0.311 0.040 11 0 "[ . 1 . 2]"
1 74 GLU 0.249 0.040 11 0 "[ . 1 . 2]"
1 75 ILE 0.045 0.009 11 0 "[ . 1 . 2]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 PRO 0.006 0.006 15 0 "[ . 1 . 2]"
1 79 CYS 2.402 0.078 5 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 1.397 0.105 15 0 "[ . 1 . 2]"
1 82 TYR 0.030 0.020 9 0 "[ . 1 . 2]"
1 83 TYR 0.018 0.005 20 0 "[ . 1 . 2]"
1 84 ASP 0.062 0.043 17 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 2 SER QB 1 3 LYS H 6.120 . 6.120 3.052 1.944 3.964 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS HA 1 4 LYS H 3.310 . 3.310 2.339 2.142 2.911 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS HA 1 4 LYS QD 5.010 . 5.010 3.755 2.493 4.345 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS HA 1 4 LYS QE 5.970 . 5.970 4.487 2.007 5.219 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS HA 1 5 GLU H 2.990 . 2.990 2.293 2.147 2.615 . 0 0 "[ . 1 . 2]" 1
6 1 4 LYS HB3 1 5 GLU H 4.610 . 4.610 3.659 1.997 4.515 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS HB2 1 5 GLU H 4.610 . 4.610 3.833 2.112 4.611 0.001 13 0 "[ . 1 . 2]" 1
8 1 4 LYS QB 1 5 GLU H 4.820 . 4.820 3.156 1.985 3.939 . 0 0 "[ . 1 . 2]" 1
9 1 4 LYS QG 1 5 GLU H 5.520 . 5.520 3.444 2.430 4.451 . 0 0 "[ . 1 . 2]" 1
10 1 4 LYS H 1 4 LYS HB3 4.040 . 4.040 3.434 2.579 3.901 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS H 1 4 LYS HB2 4.040 . 4.040 3.167 2.447 3.982 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLU HA 1 6 PRO HA 4.530 . 4.530 4.432 4.402 4.480 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU HA 1 6 PRO HD3 2.720 . 2.720 2.226 1.953 2.462 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLU HA 1 6 PRO HD2 2.800 . 2.800 2.441 2.177 2.653 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLU HA 1 6 PRO QG 5.070 . 5.070 3.967 3.806 4.186 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLU HB3 1 6 PRO HD3 4.750 . 4.750 4.096 3.473 4.761 0.011 5 0 "[ . 1 . 2]" 1
17 1 5 GLU HB2 1 6 PRO HD3 4.750 . 4.750 4.365 3.431 4.757 0.007 2 0 "[ . 1 . 2]" 1
18 1 5 GLU QB 1 6 PRO HD3 4.860 . 4.860 3.654 3.299 4.239 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLU QB 1 6 PRO HD2 3.880 . 3.880 2.618 1.951 3.495 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLU QG 1 6 PRO HD2 5.070 . 5.070 3.333 1.913 4.430 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU H 1 5 GLU HB3 4.060 . 4.060 3.088 2.537 3.630 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLU H 1 5 GLU HB2 4.060 . 4.060 2.804 2.084 3.614 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLU H 1 5 GLU QG 5.020 . 5.020 2.716 1.980 4.068 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLU H 1 6 PRO HD3 5.260 . 5.260 4.900 4.560 5.152 . 0 0 "[ . 1 . 2]" 1
25 1 6 PRO HA 1 7 GLU H 2.690 . 2.690 2.385 2.145 2.679 . 0 0 "[ . 1 . 2]" 1
26 1 6 PRO QB 1 7 GLU H 3.830 . 3.830 2.686 1.965 3.481 . 0 0 "[ . 1 . 2]" 1
27 1 6 PRO HD2 1 7 GLU H 5.500 . 5.500 5.429 5.224 5.519 0.019 19 0 "[ . 1 . 2]" 1
28 1 7 GLU HA 1 7 GLU HG3 4.010 . 4.010 2.958 2.201 3.839 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLU HA 1 7 GLU HG2 4.010 . 4.010 2.860 2.040 4.006 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU HA 1 8 PHE H 2.810 . 2.810 2.268 2.138 2.817 0.007 7 0 "[ . 1 . 2]" 1
31 1 7 GLU HA 1 9 PRO HD3 4.890 . 4.890 4.368 3.527 4.706 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLU QB 1 8 PHE H 4.940 . 4.940 3.694 3.100 4.032 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLU QG 1 8 PHE H 6.220 . 6.220 4.063 3.155 4.689 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU H 1 7 GLU HG3 4.940 . 4.940 3.927 2.581 4.944 0.004 7 0 "[ . 1 . 2]" 1
35 1 7 GLU H 1 7 GLU HG2 4.940 . 4.940 4.130 2.581 4.848 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLU H 1 7 GLU QG 4.970 . 4.970 3.449 2.484 4.214 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU H 1 8 PHE H 3.940 . 3.940 3.551 2.013 4.009 0.069 16 0 "[ . 1 . 2]" 1
38 1 7 GLU H 1 9 PRO HD3 5.500 . 5.500 4.852 2.973 5.542 0.042 16 0 "[ . 1 . 2]" 1
39 1 8 PHE HA 1 9 PRO HD3 2.890 . 2.890 2.777 2.647 2.893 0.003 10 0 "[ . 1 . 2]" 1
40 1 8 PHE HA 1 9 PRO HD2 2.790 . 2.790 2.055 1.935 2.242 . 0 0 "[ . 1 . 2]" 1
41 1 8 PHE HA 1 9 PRO QG 4.960 . 4.960 3.901 3.788 4.062 . 0 0 "[ . 1 . 2]" 1
42 1 8 PHE HB3 1 9 PRO HD3 5.330 . 5.330 5.017 4.882 5.124 . 0 0 "[ . 1 . 2]" 1
43 1 8 PHE HB3 1 9 PRO HD2 4.910 . 4.910 4.495 4.028 4.868 . 0 0 "[ . 1 . 2]" 1
44 1 8 PHE HB2 1 9 PRO HD3 5.330 . 5.330 5.051 4.881 5.237 . 0 0 "[ . 1 . 2]" 1
45 1 8 PHE HB2 1 9 PRO HD2 4.910 . 4.910 4.680 3.913 4.851 . 0 0 "[ . 1 . 2]" 1
46 1 8 PHE QB 1 9 PRO HD3 5.530 . 5.530 4.483 4.367 4.578 . 0 0 "[ . 1 . 2]" 1
47 1 8 PHE QB 1 9 PRO HD2 4.950 . 4.950 4.055 3.631 4.325 . 0 0 "[ . 1 . 2]" 1
48 1 8 PHE H 1 8 PHE HB3 4.060 . 4.060 3.482 2.514 4.072 0.012 13 0 "[ . 1 . 2]" 1
49 1 8 PHE H 1 8 PHE HB2 4.060 . 4.060 2.972 2.276 3.748 . 0 0 "[ . 1 . 2]" 1
50 1 8 PHE H 1 9 PRO HD3 4.790 . 4.790 3.341 2.475 4.079 . 0 0 "[ . 1 . 2]" 1
51 1 8 PHE H 1 9 PRO HD2 5.240 . 5.240 3.944 3.191 4.551 . 0 0 "[ . 1 . 2]" 1
52 1 9 PRO HA 1 10 VAL QG 6.390 . 6.390 3.708 2.960 4.233 . 0 0 "[ . 1 . 2]" 1
53 1 9 PRO HA 1 10 VAL H 2.740 . 2.740 2.569 2.426 2.690 . 0 0 "[ . 1 . 2]" 1
54 1 9 PRO HB3 1 10 VAL H 3.930 . 3.930 3.280 3.089 3.443 . 0 0 "[ . 1 . 2]" 1
55 1 9 PRO HB2 1 10 VAL HA 4.870 . 4.870 4.248 4.054 4.505 . 0 0 "[ . 1 . 2]" 1
56 1 9 PRO HB2 1 10 VAL QG 6.020 . 6.020 3.647 2.860 4.287 . 0 0 "[ . 1 . 2]" 1
57 1 9 PRO HB2 1 10 VAL H 3.800 . 3.800 2.219 1.985 2.517 . 0 0 "[ . 1 . 2]" 1
58 1 9 PRO HD2 1 10 VAL H 5.500 . 5.500 5.419 5.292 5.505 0.005 19 0 "[ . 1 . 2]" 1
59 1 10 VAL HA 1 11 GLU QB 6.090 . 6.090 4.554 4.350 4.793 . 0 0 "[ . 1 . 2]" 1
60 1 10 VAL HA 1 11 GLU QG 5.290 . 5.290 3.847 3.303 4.180 . 0 0 "[ . 1 . 2]" 1
61 1 10 VAL HA 1 11 GLU H 2.580 . 2.580 2.217 2.143 2.360 . 0 0 "[ . 1 . 2]" 1
62 1 10 VAL HA 1 12 PRO HD3 5.500 . 5.500 5.259 4.845 5.509 0.009 8 0 "[ . 1 . 2]" 1
63 1 10 VAL MG1 1 12 PRO HD3 6.520 . 6.520 3.560 2.684 4.123 . 0 0 "[ . 1 . 2]" 1
64 1 10 VAL MG2 1 12 PRO HD3 6.520 . 6.520 4.294 2.599 5.502 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL QG 1 11 GLU QG 7.430 . 7.430 3.738 2.694 4.393 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL QG 1 11 GLU H 5.490 . 5.490 2.757 1.943 3.443 . 0 0 "[ . 1 . 2]" 1
67 1 10 VAL QG 1 12 PRO HA 6.290 . 6.290 3.743 3.441 3.992 . 0 0 "[ . 1 . 2]" 1
68 1 10 VAL QG 1 12 PRO HD2 7.280 . 7.280 4.431 3.815 4.863 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL H 1 10 VAL HB 3.320 . 3.320 2.922 2.615 3.317 . 0 0 "[ . 1 . 2]" 1
70 1 11 GLU HA 1 12 PRO HB2 5.500 . 5.500 5.463 4.849 5.509 0.009 8 0 "[ . 1 . 2]" 1
71 1 11 GLU HA 1 12 PRO HD3 2.820 . 2.820 2.517 2.267 2.723 . 0 0 "[ . 1 . 2]" 1
72 1 11 GLU HA 1 12 PRO HD2 2.790 . 2.790 1.992 1.897 2.176 . 0 0 "[ . 1 . 2]" 1
73 1 11 GLU HA 1 12 PRO HG3 4.620 . 4.620 4.427 4.389 4.475 . 0 0 "[ . 1 . 2]" 1
74 1 11 GLU HA 1 12 PRO HG2 4.620 . 4.620 4.185 4.080 4.339 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU HA 1 12 PRO QG 4.950 . 4.950 3.825 3.763 3.887 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLU HB3 1 12 PRO HD2 4.400 . 4.400 3.923 3.189 4.227 . 0 0 "[ . 1 . 2]" 1
77 1 11 GLU HB2 1 12 PRO HD2 4.400 . 4.400 3.743 3.282 4.434 0.034 10 0 "[ . 1 . 2]" 1
78 1 11 GLU QB 1 12 PRO HD3 5.910 . 5.910 4.250 4.037 4.434 . 0 0 "[ . 1 . 2]" 1
79 1 11 GLU QB 1 12 PRO HD2 4.750 . 4.750 3.328 3.115 3.539 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLU H 1 11 GLU QB 3.720 . 3.720 2.720 2.460 2.879 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLU H 1 11 GLU QG 4.530 . 4.530 2.116 1.936 2.537 . 0 0 "[ . 1 . 2]" 1
82 1 11 GLU H 1 12 PRO HD3 5.260 . 5.260 4.494 4.296 4.738 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLU H 1 12 PRO HD2 4.880 . 4.880 4.727 4.537 4.897 0.017 17 0 "[ . 1 . 2]" 1
84 1 12 PRO HA 1 13 VAL QG 7.240 . 7.240 3.743 3.390 4.260 . 0 0 "[ . 1 . 2]" 1
85 1 12 PRO HA 1 13 VAL H 2.830 . 2.830 2.523 2.328 2.688 . 0 0 "[ . 1 . 2]" 1
86 1 12 PRO HB3 1 13 VAL H 3.590 . 3.590 3.257 2.593 3.447 . 0 0 "[ . 1 . 2]" 1
87 1 12 PRO HB3 1 30 THR HA 5.500 . 5.500 3.769 2.242 5.173 . 0 0 "[ . 1 . 2]" 1
88 1 12 PRO HB3 1 30 THR HB 4.460 . 4.460 2.739 2.062 3.589 . 0 0 "[ . 1 . 2]" 1
89 1 12 PRO HB3 1 30 THR MG 4.700 . 4.700 3.613 2.561 3.994 . 0 0 "[ . 1 . 2]" 1
90 1 12 PRO HB2 1 13 VAL HA 4.650 . 4.650 4.449 4.113 4.666 0.016 17 0 "[ . 1 . 2]" 1
91 1 12 PRO HB2 1 13 VAL QG 6.840 . 6.840 2.955 2.031 3.825 . 0 0 "[ . 1 . 2]" 1
92 1 12 PRO HB2 1 13 VAL H 3.890 . 3.890 2.360 1.972 3.071 . 0 0 "[ . 1 . 2]" 1
93 1 12 PRO HB2 1 14 GLY H 5.500 . 5.500 5.204 4.553 5.517 0.017 1 0 "[ . 1 . 2]" 1
94 1 12 PRO HB2 1 30 THR HA 5.330 . 5.330 3.876 2.679 4.800 . 0 0 "[ . 1 . 2]" 1
95 1 12 PRO HB2 1 30 THR HB 4.620 . 4.620 3.001 1.922 3.545 . 0 0 "[ . 1 . 2]" 1
96 1 12 PRO HD3 1 13 VAL H 5.500 . 5.500 5.441 5.337 5.573 0.073 17 0 "[ . 1 . 2]" 1
97 1 12 PRO QG 1 28 ILE MG 7.090 . 7.090 4.077 2.534 5.192 . 0 0 "[ . 1 . 2]" 1
98 1 12 PRO QG 1 30 THR HA 6.240 . 6.240 4.375 1.665 5.549 0.135 10 0 "[ . 1 . 2]" 1
99 1 12 PRO QG 1 30 THR MG 6.250 . 6.250 3.862 2.269 4.453 . 0 0 "[ . 1 . 2]" 1
100 1 13 VAL HA 1 14 GLY H 3.070 . 3.070 2.364 2.136 2.965 . 0 0 "[ . 1 . 2]" 1
101 1 13 VAL HB 1 14 GLY QA 6.070 . 6.070 4.516 3.891 5.470 . 0 0 "[ . 1 . 2]" 1
102 1 13 VAL HB 1 14 GLY H 4.420 . 4.420 3.948 3.066 4.422 0.002 19 0 "[ . 1 . 2]" 1
103 1 13 VAL MG1 1 14 GLY H 5.600 . 5.600 3.926 2.797 4.296 . 0 0 "[ . 1 . 2]" 1
104 1 13 VAL MG2 1 14 GLY H 5.600 . 5.600 3.895 2.572 4.342 . 0 0 "[ . 1 . 2]" 1
105 1 13 VAL QG 1 14 GLY QA 7.090 . 7.090 3.688 2.988 4.053 . 0 0 "[ . 1 . 2]" 1
106 1 13 VAL QG 1 14 GLY H 5.960 . 5.960 3.378 2.543 3.763 . 0 0 "[ . 1 . 2]" 1
107 1 13 VAL QG 1 30 THR HA 7.000 . 7.000 3.911 2.676 4.688 . 0 0 "[ . 1 . 2]" 1
108 1 13 VAL QG 1 30 THR HB 7.140 . 7.140 4.177 2.608 5.058 . 0 0 "[ . 1 . 2]" 1
109 1 13 VAL H 1 13 VAL HB 3.750 . 3.750 3.348 2.554 3.764 0.014 8 0 "[ . 1 . 2]" 1
110 1 13 VAL H 1 14 GLY H 4.630 . 4.630 3.932 2.625 4.537 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLY QA 1 15 GLU QG 6.130 . 6.130 3.886 3.469 4.458 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLY QA 1 15 GLU H 3.780 . 3.780 2.391 2.108 2.921 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLY QA 1 16 LYS H 5.390 . 5.390 3.766 3.389 4.517 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLY H 1 15 GLU QG 6.380 . 6.380 4.663 3.430 5.732 . 0 0 "[ . 1 . 2]" 1
115 1 15 GLU QB 1 16 LYS H 4.990 . 4.990 2.749 2.108 3.467 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU QG 1 16 LYS H 5.390 . 5.390 3.290 1.959 4.330 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU H 1 15 GLU QB 3.690 . 3.690 2.507 2.166 2.709 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLU H 1 15 GLU QG 4.370 . 4.370 2.259 1.945 2.895 . 0 0 "[ . 1 . 2]" 1
119 1 16 LYS HA 1 16 LYS QD 4.970 . 4.970 3.797 2.883 4.328 . 0 0 "[ . 1 . 2]" 1
120 1 16 LYS HA 1 16 LYS HG3 3.810 . 3.810 2.977 2.162 3.795 . 0 0 "[ . 1 . 2]" 1
121 1 16 LYS HA 1 16 LYS HG2 3.810 . 3.810 2.754 2.100 3.780 . 0 0 "[ . 1 . 2]" 1
122 1 16 LYS HA 1 17 SER H 2.780 . 2.780 2.240 2.145 2.779 . 0 0 "[ . 1 . 2]" 1
123 1 16 LYS HB3 1 17 SER H 4.720 . 4.720 3.896 1.983 4.476 . 0 0 "[ . 1 . 2]" 1
124 1 16 LYS HB2 1 17 SER H 4.720 . 4.720 4.310 2.684 4.660 . 0 0 "[ . 1 . 2]" 1
125 1 16 LYS QB 1 17 SER HA 5.940 . 5.940 4.251 3.838 4.592 . 0 0 "[ . 1 . 2]" 1
126 1 16 LYS QB 1 17 SER H 4.960 . 4.960 3.574 1.934 3.970 . 0 0 "[ . 1 . 2]" 1
127 1 16 LYS QG 1 17 SER H 5.560 . 5.560 3.839 2.611 4.515 . 0 0 "[ . 1 . 2]" 1
128 1 16 LYS H 1 16 LYS HB3 3.900 . 3.900 3.320 2.626 3.865 . 0 0 "[ . 1 . 2]" 1
129 1 16 LYS H 1 16 LYS HB2 3.900 . 3.900 2.795 2.139 3.675 . 0 0 "[ . 1 . 2]" 1
130 1 16 LYS H 1 16 LYS QB 3.920 . 3.920 2.561 2.106 2.986 . 0 0 "[ . 1 . 2]" 1
131 1 16 LYS H 1 16 LYS QG 5.060 . 5.060 3.399 1.940 4.277 . 0 0 "[ . 1 . 2]" 1
132 1 17 SER HA 1 18 ASN HB3 5.500 . 5.500 5.458 5.259 5.509 0.009 12 0 "[ . 1 . 2]" 1
133 1 17 SER HA 1 18 ASN HB2 5.500 . 5.500 4.191 4.098 4.306 . 0 0 "[ . 1 . 2]" 1
134 1 17 SER HA 1 18 ASN H 2.870 . 2.870 2.174 2.132 2.316 . 0 0 "[ . 1 . 2]" 1
135 1 17 SER HA 1 28 ILE MG 6.120 . 6.120 4.183 3.788 4.574 . 0 0 "[ . 1 . 2]" 1
136 1 17 SER HA 1 29 PRO HG2 5.500 . 5.500 3.796 3.433 4.444 . 0 0 "[ . 1 . 2]" 1
137 1 17 SER QB 1 18 ASN HA 5.360 . 5.360 4.580 4.276 4.684 . 0 0 "[ . 1 . 2]" 1
138 1 17 SER QB 1 18 ASN H 4.390 . 4.390 3.354 2.813 3.791 . 0 0 "[ . 1 . 2]" 1
139 1 17 SER QB 1 28 ILE HB 6.210 . 6.210 4.877 4.490 5.364 . 0 0 "[ . 1 . 2]" 1
140 1 17 SER QB 1 28 ILE MD 6.410 . 6.410 3.805 3.560 4.075 . 0 0 "[ . 1 . 2]" 1
141 1 17 SER QB 1 28 ILE QG 7.100 . 7.100 4.869 4.668 5.136 . 0 0 "[ . 1 . 2]" 1
142 1 17 SER QB 1 28 ILE MG 5.790 . 5.790 2.388 2.073 2.831 . 0 0 "[ . 1 . 2]" 1
143 1 17 SER QB 1 29 PRO HG2 5.430 . 5.430 3.762 2.686 4.849 . 0 0 "[ . 1 . 2]" 1
144 1 18 ASN HA 1 19 TYR HA 4.700 . 4.700 4.483 4.460 4.523 . 0 0 "[ . 1 . 2]" 1
145 1 18 ASN HA 1 19 TYR H 3.210 . 3.210 2.534 2.522 2.543 . 0 0 "[ . 1 . 2]" 1
146 1 18 ASN HA 1 28 ILE MD 6.520 . 6.520 4.834 4.776 4.953 . 0 0 "[ . 1 . 2]" 1
147 1 18 ASN HA 1 28 ILE MG 5.880 . 5.880 4.740 4.721 4.768 . 0 0 "[ . 1 . 2]" 1
148 1 18 ASN HB3 1 28 ILE MG 6.520 . 6.520 5.075 4.637 5.267 . 0 0 "[ . 1 . 2]" 1
149 1 18 ASN HB2 1 28 ILE MG 6.520 . 6.520 5.143 4.844 5.328 . 0 0 "[ . 1 . 2]" 1
150 1 18 ASN QB 1 19 TYR H 4.280 . 4.280 2.403 2.313 2.585 . 0 0 "[ . 1 . 2]" 1
151 1 18 ASN QB 1 20 ILE HA 6.220 . 6.220 4.967 4.873 5.204 . 0 0 "[ . 1 . 2]" 1
152 1 18 ASN H 1 18 ASN HD21 5.260 . 5.260 3.658 2.864 4.509 . 0 0 "[ . 1 . 2]" 1
153 1 18 ASN H 1 18 ASN HD22 5.260 . 5.260 4.912 4.453 5.262 0.002 11 0 "[ . 1 . 2]" 1
154 1 18 ASN H 1 18 ASN QD 5.270 . 5.270 3.547 2.832 4.259 . 0 0 "[ . 1 . 2]" 1
155 1 18 ASN H 1 19 TYR HA 5.500 . 5.500 5.357 5.072 5.503 0.003 2 0 "[ . 1 . 2]" 1
156 1 19 TYR HA 1 20 ILE HA 4.510 . 4.510 4.387 4.380 4.391 . 0 0 "[ . 1 . 2]" 1
157 1 19 TYR HA 1 20 ILE HB 4.860 . 4.860 4.496 4.470 4.545 . 0 0 "[ . 1 . 2]" 1
158 1 19 TYR HA 1 20 ILE MD 5.320 . 5.320 3.135 2.927 3.372 . 0 0 "[ . 1 . 2]" 1
159 1 19 TYR HA 1 20 ILE HG13 5.020 . 5.020 4.774 4.509 5.020 0.000 10 0 "[ . 1 . 2]" 1
160 1 19 TYR HA 1 20 ILE MG 6.520 . 6.520 5.444 5.434 5.456 . 0 0 "[ . 1 . 2]" 1
161 1 19 TYR HA 1 20 ILE H 3.260 . 3.260 2.124 2.121 2.129 . 0 0 "[ . 1 . 2]" 1
162 1 19 TYR HA 1 26 GLU QG 6.220 . 6.220 4.601 3.651 5.324 . 0 0 "[ . 1 . 2]" 1
163 1 19 TYR HA 1 28 ILE HA 3.780 . 3.780 2.663 2.490 2.740 . 0 0 "[ . 1 . 2]" 1
164 1 19 TYR HA 1 28 ILE HB 5.420 . 5.420 5.259 5.172 5.306 . 0 0 "[ . 1 . 2]" 1
165 1 19 TYR HA 1 28 ILE MD 5.120 . 5.120 2.212 2.050 2.388 . 0 0 "[ . 1 . 2]" 1
166 1 19 TYR HA 1 28 ILE HG13 5.220 . 5.220 5.059 4.999 5.121 . 0 0 "[ . 1 . 2]" 1
167 1 19 TYR HA 1 28 ILE HG12 5.220 . 5.220 4.255 4.157 4.323 . 0 0 "[ . 1 . 2]" 1
168 1 19 TYR HA 1 28 ILE QG 5.440 . 5.440 4.045 3.977 4.097 . 0 0 "[ . 1 . 2]" 1
169 1 19 TYR HA 1 28 ILE MG 4.610 . 4.610 3.329 3.249 3.438 . 0 0 "[ . 1 . 2]" 1
170 1 19 TYR HA 1 29 PRO HD3 4.430 . 4.430 3.354 3.108 3.481 . 0 0 "[ . 1 . 2]" 1
171 1 19 TYR HA 1 29 PRO HD2 4.150 . 4.150 3.476 3.263 3.576 . 0 0 "[ . 1 . 2]" 1
172 1 19 TYR HB3 1 20 ILE H 3.970 . 3.970 3.638 3.561 3.698 . 0 0 "[ . 1 . 2]" 1
173 1 19 TYR HB3 1 26 GLU HA 4.530 . 4.530 4.333 4.217 4.517 . 0 0 "[ . 1 . 2]" 1
174 1 19 TYR HB3 1 26 GLU HB3 4.990 . 4.990 3.105 2.517 3.758 . 0 0 "[ . 1 . 2]" 1
175 1 19 TYR HB3 1 26 GLU HB2 4.990 . 4.990 4.670 4.169 4.999 0.009 2 0 "[ . 1 . 2]" 1
176 1 19 TYR HB3 1 26 GLU HG3 5.170 . 5.170 4.240 2.820 5.172 0.002 4 0 "[ . 1 . 2]" 1
177 1 19 TYR HB3 1 26 GLU HG2 5.170 . 5.170 3.205 2.049 4.447 . 0 0 "[ . 1 . 2]" 1
178 1 19 TYR HB3 1 26 GLU QG 5.400 . 5.400 3.074 2.003 3.963 . 0 0 "[ . 1 . 2]" 1
179 1 19 TYR HB3 1 27 PHE H 5.190 . 5.190 5.203 5.194 5.211 0.021 9 0 "[ . 1 . 2]" 1
180 1 19 TYR HB3 1 28 ILE HA 5.340 . 5.340 4.263 4.099 4.317 . 0 0 "[ . 1 . 2]" 1
181 1 19 TYR HB3 1 28 ILE MD 5.420 . 5.420 2.109 2.059 2.204 . 0 0 "[ . 1 . 2]" 1
182 1 19 TYR HB3 1 28 ILE HG13 5.230 . 5.230 4.884 4.849 4.950 . 0 0 "[ . 1 . 2]" 1
183 1 19 TYR HB3 1 28 ILE HG12 5.230 . 5.230 4.248 4.194 4.284 . 0 0 "[ . 1 . 2]" 1
184 1 19 TYR HB3 1 28 ILE QG 5.460 . 5.460 4.001 3.977 4.017 . 0 0 "[ . 1 . 2]" 1
185 1 19 TYR HB3 1 28 ILE MG 5.400 . 5.400 4.210 4.032 4.285 . 0 0 "[ . 1 . 2]" 1
186 1 19 TYR HB2 1 20 ILE HA 5.210 . 5.210 4.813 4.795 4.828 . 0 0 "[ . 1 . 2]" 1
187 1 19 TYR HB2 1 20 ILE H 3.960 . 3.960 3.922 3.866 3.956 . 0 0 "[ . 1 . 2]" 1
188 1 19 TYR HB2 1 21 CYS HA 5.290 . 5.290 4.967 4.850 5.062 . 0 0 "[ . 1 . 2]" 1
189 1 19 TYR HB2 1 26 GLU HA 4.570 . 4.570 4.369 4.108 4.584 0.014 1 0 "[ . 1 . 2]" 1
190 1 19 TYR HB2 1 26 GLU QB 6.040 . 6.040 3.653 2.961 4.271 . 0 0 "[ . 1 . 2]" 1
191 1 19 TYR HB2 1 28 ILE HA 5.500 . 5.500 5.468 5.319 5.516 0.016 5 0 "[ . 1 . 2]" 1
192 1 19 TYR HB2 1 28 ILE MD 6.030 . 6.030 3.552 3.505 3.636 . 0 0 "[ . 1 . 2]" 1
193 1 19 TYR HB2 1 28 ILE QG 6.220 . 6.220 5.531 5.506 5.550 . 0 0 "[ . 1 . 2]" 1
194 1 19 TYR H 1 19 TYR HB2 3.740 . 3.740 3.218 3.133 3.309 . 0 0 "[ . 1 . 2]" 1
195 1 19 TYR H 1 20 ILE HA 5.440 . 5.440 4.682 4.543 4.770 . 0 0 "[ . 1 . 2]" 1
196 1 19 TYR H 1 20 ILE H 4.610 . 4.610 4.137 4.019 4.213 . 0 0 "[ . 1 . 2]" 1
197 1 20 ILE HA 1 20 ILE MD 4.600 . 4.600 3.287 3.052 3.448 . 0 0 "[ . 1 . 2]" 1
198 1 20 ILE HA 1 20 ILE HG13 3.230 . 3.230 2.264 2.238 2.307 . 0 0 "[ . 1 . 2]" 1
199 1 20 ILE HA 1 20 ILE HG12 3.640 . 3.640 3.469 3.393 3.559 . 0 0 "[ . 1 . 2]" 1
200 1 20 ILE HA 1 21 CYS HA 4.890 . 4.890 4.422 4.411 4.434 . 0 0 "[ . 1 . 2]" 1
201 1 20 ILE HA 1 21 CYS QB 5.810 . 5.810 4.217 4.064 4.525 . 0 0 "[ . 1 . 2]" 1
202 1 20 ILE HA 1 21 CYS H 2.680 . 2.680 2.156 2.148 2.169 . 0 0 "[ . 1 . 2]" 1
203 1 20 ILE HA 1 27 PHE QB 6.220 . 6.220 4.868 4.809 4.922 . 0 0 "[ . 1 . 2]" 1
204 1 20 ILE HA 1 55 LEU MD1 6.520 . 6.520 5.249 5.108 5.325 . 0 0 "[ . 1 . 2]" 1
205 1 20 ILE HB 1 21 CYS H 4.600 . 4.600 4.424 4.407 4.450 . 0 0 "[ . 1 . 2]" 1
206 1 20 ILE HB 1 27 PHE HA 5.300 . 5.300 4.479 4.408 4.514 . 0 0 "[ . 1 . 2]" 1
207 1 20 ILE HB 1 27 PHE HB3 4.340 . 4.340 3.761 3.703 3.821 . 0 0 "[ . 1 . 2]" 1
208 1 20 ILE HB 1 27 PHE HB2 4.340 . 4.340 2.017 1.965 2.075 . 0 0 "[ . 1 . 2]" 1
209 1 20 ILE HB 1 27 PHE QB 4.570 . 4.570 2.009 1.958 2.067 . 0 0 "[ . 1 . 2]" 1
210 1 20 ILE HB 1 27 PHE H 3.840 . 3.840 3.172 2.939 3.322 . 0 0 "[ . 1 . 2]" 1
211 1 20 ILE HB 1 28 ILE HA 4.910 . 4.910 4.598 4.538 4.664 . 0 0 "[ . 1 . 2]" 1
212 1 20 ILE HB 1 55 LEU HB3 4.570 . 4.570 3.913 3.766 4.001 . 0 0 "[ . 1 . 2]" 1
213 1 20 ILE HB 1 55 LEU MD1 4.960 . 4.960 3.093 2.885 3.240 . 0 0 "[ . 1 . 2]" 1
214 1 20 ILE HB 1 55 LEU MD2 5.990 . 5.990 4.026 3.798 4.199 . 0 0 "[ . 1 . 2]" 1
215 1 20 ILE MD 1 27 PHE HA 6.360 . 6.360 4.552 4.307 4.677 . 0 0 "[ . 1 . 2]" 1
216 1 20 ILE MD 1 27 PHE HB3 5.510 . 5.510 3.700 3.388 3.863 . 0 0 "[ . 1 . 2]" 1
217 1 20 ILE MD 1 27 PHE HB2 5.510 . 5.510 2.673 2.366 2.822 . 0 0 "[ . 1 . 2]" 1
218 1 20 ILE MD 1 27 PHE QB 5.830 . 5.830 2.614 2.326 2.756 . 0 0 "[ . 1 . 2]" 1
219 1 20 ILE MD 1 28 ILE HA 5.370 . 5.370 2.791 2.594 2.898 . 0 0 "[ . 1 . 2]" 1
220 1 20 ILE MD 1 28 ILE HB 6.120 . 6.120 5.040 4.871 5.091 . 0 0 "[ . 1 . 2]" 1
221 1 20 ILE MD 1 28 ILE MG 6.390 . 6.390 4.072 3.941 4.189 . 0 0 "[ . 1 . 2]" 1
222 1 20 ILE MD 1 29 PRO HA 5.180 . 5.180 3.418 3.329 3.525 . 0 0 "[ . 1 . 2]" 1
223 1 20 ILE MD 1 29 PRO HB3 5.710 . 5.710 2.857 2.649 2.952 . 0 0 "[ . 1 . 2]" 1
224 1 20 ILE MD 1 29 PRO HB2 5.420 . 5.420 4.249 4.095 4.309 . 0 0 "[ . 1 . 2]" 1
225 1 20 ILE MD 1 29 PRO HD3 5.370 . 5.370 1.886 1.823 1.936 . 0 0 "[ . 1 . 2]" 1
226 1 20 ILE MD 1 29 PRO HD2 5.170 . 5.170 3.305 3.208 3.406 . 0 0 "[ . 1 . 2]" 1
227 1 20 ILE MD 1 29 PRO HG3 5.110 . 5.110 3.135 3.008 3.358 . 0 0 "[ . 1 . 2]" 1
228 1 20 ILE MD 1 29 PRO HG2 5.330 . 5.330 4.165 4.084 4.281 . 0 0 "[ . 1 . 2]" 1
229 1 20 ILE MD 1 55 LEU HA 5.700 . 5.700 3.904 3.683 4.040 . 0 0 "[ . 1 . 2]" 1
230 1 20 ILE MD 1 55 LEU HB2 5.860 . 5.860 4.371 4.020 4.635 . 0 0 "[ . 1 . 2]" 1
231 1 20 ILE MD 1 55 LEU MD1 5.490 . 5.490 2.568 2.185 2.877 . 0 0 "[ . 1 . 2]" 1
232 1 20 ILE MD 1 55 LEU MD2 4.970 . 4.970 2.007 1.824 2.231 . 0 0 "[ . 1 . 2]" 1
233 1 20 ILE MD 1 66 LYS HE3 5.400 . 5.400 2.842 2.335 3.317 . 0 0 "[ . 1 . 2]" 1
234 1 20 ILE MD 1 66 LYS HE2 5.400 . 5.400 3.969 3.216 4.378 . 0 0 "[ . 1 . 2]" 1
235 1 20 ILE MD 1 66 LYS QE 5.740 . 5.740 2.770 2.298 3.216 . 0 0 "[ . 1 . 2]" 1
236 1 20 ILE MD 1 69 MET HB3 6.460 . 6.460 5.119 4.666 5.329 . 0 0 "[ . 1 . 2]" 1
237 1 20 ILE MD 1 69 MET QG 6.700 . 6.700 4.269 3.968 4.627 . 0 0 "[ . 1 . 2]" 1
238 1 20 ILE HG13 1 21 CYS H 4.550 . 4.550 4.359 4.324 4.442 . 0 0 "[ . 1 . 2]" 1
239 1 20 ILE HG13 1 55 LEU MD1 6.060 . 6.060 4.118 4.012 4.229 . 0 0 "[ . 1 . 2]" 1
240 1 20 ILE HG13 1 55 LEU MD2 5.920 . 5.920 4.211 3.914 4.438 . 0 0 "[ . 1 . 2]" 1
241 1 20 ILE HG12 1 55 LEU MD2 5.080 . 5.080 3.232 2.740 3.598 . 0 0 "[ . 1 . 2]" 1
242 1 20 ILE MG 1 21 CYS HA 5.180 . 5.180 4.012 3.932 4.090 . 0 0 "[ . 1 . 2]" 1
243 1 20 ILE MG 1 21 CYS QB 6.610 . 6.610 4.345 4.161 4.719 . 0 0 "[ . 1 . 2]" 1
244 1 20 ILE MG 1 21 CYS H 4.350 . 4.350 3.061 2.860 3.201 . 0 0 "[ . 1 . 2]" 1
245 1 20 ILE MG 1 22 HIS HA 5.690 . 5.690 4.634 4.584 4.678 . 0 0 "[ . 1 . 2]" 1
246 1 20 ILE MG 1 22 HIS HB3 5.580 . 5.580 4.084 3.626 4.538 . 0 0 "[ . 1 . 2]" 1
247 1 20 ILE MG 1 22 HIS HB2 5.580 . 5.580 2.862 2.638 3.140 . 0 0 "[ . 1 . 2]" 1
248 1 20 ILE MG 1 22 HIS QB 5.640 . 5.640 2.805 2.603 3.086 . 0 0 "[ . 1 . 2]" 1
249 1 20 ILE MG 1 22 HIS H 5.850 . 5.850 4.454 4.313 4.622 . 0 0 "[ . 1 . 2]" 1
250 1 20 ILE MG 1 27 PHE HA 6.520 . 6.520 5.371 5.335 5.389 . 0 0 "[ . 1 . 2]" 1
251 1 20 ILE MG 1 27 PHE QB 5.710 . 5.710 3.120 2.981 3.195 . 0 0 "[ . 1 . 2]" 1
252 1 20 ILE MG 1 27 PHE H 5.840 . 5.840 3.595 3.541 3.665 . 0 0 "[ . 1 . 2]" 1
253 1 20 ILE MG 1 29 PRO HD3 6.520 . 6.520 5.483 5.470 5.490 . 0 0 "[ . 1 . 2]" 1
254 1 20 ILE MG 1 55 LEU MD1 5.600 . 5.600 2.715 2.557 2.883 . 0 0 "[ . 1 . 2]" 1
255 1 20 ILE MG 1 69 MET ME 5.500 . 5.500 2.068 1.706 3.481 0.094 5 0 "[ . 1 . 2]" 1
256 1 20 ILE MG 1 69 MET QG 5.220 . 5.220 1.926 1.813 2.170 . 0 0 "[ . 1 . 2]" 1
257 1 20 ILE H 1 20 ILE HB 3.590 . 3.590 2.396 2.377 2.441 . 0 0 "[ . 1 . 2]" 1
258 1 20 ILE H 1 20 ILE MD 5.500 . 5.500 1.969 1.912 2.069 . 0 0 "[ . 1 . 2]" 1
259 1 20 ILE H 1 20 ILE HG13 4.030 . 4.030 3.196 2.984 3.387 . 0 0 "[ . 1 . 2]" 1
260 1 20 ILE H 1 20 ILE HG12 4.320 . 4.320 3.986 3.919 4.026 . 0 0 "[ . 1 . 2]" 1
261 1 20 ILE H 1 21 CYS H 5.310 . 5.310 4.362 4.316 4.397 . 0 0 "[ . 1 . 2]" 1
262 1 20 ILE H 1 27 PHE QB 5.440 . 5.440 3.446 3.354 3.516 . 0 0 "[ . 1 . 2]" 1
263 1 20 ILE H 1 27 PHE H 4.070 . 4.070 3.870 3.747 3.973 . 0 0 "[ . 1 . 2]" 1
264 1 20 ILE H 1 28 ILE HA 3.260 . 3.260 3.119 3.061 3.179 . 0 0 "[ . 1 . 2]" 1
265 1 20 ILE H 1 28 ILE MD 6.070 . 6.070 3.588 3.411 3.804 . 0 0 "[ . 1 . 2]" 1
266 1 21 CYS HA 1 22 HIS HA 4.680 . 4.680 4.441 4.421 4.457 . 0 0 "[ . 1 . 2]" 1
267 1 21 CYS HA 1 22 HIS H 2.660 . 2.660 2.185 2.161 2.210 . 0 0 "[ . 1 . 2]" 1
268 1 21 CYS HA 1 25 HIS H 5.500 . 5.500 4.768 4.559 5.091 . 0 0 "[ . 1 . 2]" 1
269 1 21 CYS HA 1 26 GLU HA 3.640 . 3.640 2.576 2.441 2.775 . 0 0 "[ . 1 . 2]" 1
270 1 21 CYS HA 1 26 GLU QB 6.220 . 6.220 4.235 4.028 4.372 . 0 0 "[ . 1 . 2]" 1
271 1 21 CYS HA 1 26 GLU HG3 4.920 . 4.920 2.905 2.445 3.758 . 0 0 "[ . 1 . 2]" 1
272 1 21 CYS HA 1 26 GLU HG2 4.920 . 4.920 3.799 2.571 4.926 0.006 7 0 "[ . 1 . 2]" 1
273 1 21 CYS HA 1 26 GLU QG 5.130 . 5.130 2.673 2.424 3.183 . 0 0 "[ . 1 . 2]" 1
274 1 21 CYS QB 1 22 HIS H 4.180 . 4.180 3.271 2.913 3.694 . 0 0 "[ . 1 . 2]" 1
275 1 21 CYS QB 1 26 GLU HA 6.380 . 6.380 4.526 4.099 4.848 . 0 0 "[ . 1 . 2]" 1
276 1 21 CYS H 1 21 CYS QB 3.800 . 3.800 2.288 2.107 2.671 . 0 0 "[ . 1 . 2]" 1
277 1 21 CYS H 1 22 HIS H 4.730 . 4.730 4.564 4.543 4.592 . 0 0 "[ . 1 . 2]" 1
278 1 22 HIS HA 1 23 LYS HA 4.790 . 4.790 4.362 4.319 4.406 . 0 0 "[ . 1 . 2]" 1
279 1 22 HIS HA 1 23 LYS HG2 5.080 . 5.080 4.225 3.844 4.864 . 0 0 "[ . 1 . 2]" 1
280 1 22 HIS HA 1 23 LYS H 2.750 . 2.750 2.352 2.134 2.748 . 0 0 "[ . 1 . 2]" 1
281 1 22 HIS HA 1 69 MET ME 5.660 . 5.660 4.334 4.064 4.583 . 0 0 "[ . 1 . 2]" 1
282 1 22 HIS HB3 1 69 MET ME 5.180 . 5.180 3.056 2.564 3.708 . 0 0 "[ . 1 . 2]" 1
283 1 22 HIS HB3 1 76 ILE MD 6.520 . 6.520 5.005 4.676 5.248 . 0 0 "[ . 1 . 2]" 1
284 1 22 HIS HB2 1 69 MET ME 5.180 . 5.180 2.349 1.961 3.239 . 0 0 "[ . 1 . 2]" 1
285 1 22 HIS HB2 1 76 ILE MD 6.520 . 6.520 5.181 4.936 5.301 . 0 0 "[ . 1 . 2]" 1
286 1 22 HIS QB 1 23 LYS H 4.790 . 4.790 3.343 2.371 3.906 . 0 0 "[ . 1 . 2]" 1
287 1 22 HIS QB 1 25 HIS H 4.590 . 4.590 3.579 3.102 3.917 . 0 0 "[ . 1 . 2]" 1
288 1 22 HIS QB 1 69 MET ME 5.390 . 5.390 2.260 1.925 3.046 . 0 0 "[ . 1 . 2]" 1
289 1 22 HIS QB 1 76 ILE MD 6.730 . 6.730 4.529 4.279 4.699 . 0 0 "[ . 1 . 2]" 1
290 1 22 HIS H 1 23 LYS H 4.420 . 4.420 4.004 3.687 4.368 . 0 0 "[ . 1 . 2]" 1
291 1 22 HIS H 1 24 GLY H 4.720 . 4.720 4.417 4.243 4.579 . 0 0 "[ . 1 . 2]" 1
292 1 22 HIS H 1 25 HIS HB3 5.410 . 5.410 4.049 3.810 4.413 . 0 0 "[ . 1 . 2]" 1
293 1 22 HIS H 1 25 HIS HB2 4.940 . 4.940 4.366 4.052 4.766 . 0 0 "[ . 1 . 2]" 1
294 1 22 HIS H 1 25 HIS H 3.810 . 3.810 2.941 2.770 3.205 . 0 0 "[ . 1 . 2]" 1
295 1 22 HIS H 1 26 GLU HA 4.330 . 4.330 3.605 3.482 3.680 . 0 0 "[ . 1 . 2]" 1
296 1 22 HIS H 1 26 GLU QG 6.220 . 6.220 4.078 3.488 4.901 . 0 0 "[ . 1 . 2]" 1
297 1 22 HIS H 1 27 PHE H 5.500 . 5.500 4.675 4.561 4.861 . 0 0 "[ . 1 . 2]" 1
298 1 23 LYS HA 1 23 LYS QE 5.450 . 5.450 4.275 4.210 4.409 . 0 0 "[ . 1 . 2]" 1
299 1 23 LYS HA 1 23 LYS HG3 3.670 . 3.670 3.623 3.605 3.643 . 0 0 "[ . 1 . 2]" 1
300 1 23 LYS HA 1 23 LYS HG2 3.920 . 3.920 3.774 3.737 3.836 . 0 0 "[ . 1 . 2]" 1
301 1 23 LYS HA 1 24 GLY H 3.200 . 3.200 2.308 2.237 2.346 . 0 0 "[ . 1 . 2]" 1
302 1 23 LYS HA 1 25 HIS H 4.530 . 4.530 3.943 3.822 4.013 . 0 0 "[ . 1 . 2]" 1
303 1 23 LYS HA 1 78 PRO HB3 5.120 . 5.120 4.463 4.215 4.674 . 0 0 "[ . 1 . 2]" 1
304 1 23 LYS HB3 1 23 LYS QE 4.740 . 4.740 2.263 2.095 2.389 . 0 0 "[ . 1 . 2]" 1
305 1 23 LYS HB3 1 24 GLY H 4.480 . 4.480 4.479 4.438 4.502 0.022 7 0 "[ . 1 . 2]" 1
306 1 23 LYS HB3 1 25 HIS H 5.500 . 5.500 5.371 5.338 5.394 . 0 0 "[ . 1 . 2]" 1
307 1 23 LYS HB3 1 78 PRO HA 5.040 . 5.040 4.960 4.895 5.046 0.006 15 0 "[ . 1 . 2]" 1
308 1 23 LYS HB2 1 23 LYS QE 4.670 . 4.670 2.454 2.324 2.526 . 0 0 "[ . 1 . 2]" 1
309 1 23 LYS HB2 1 24 GLY H 4.670 . 4.670 4.086 3.963 4.146 . 0 0 "[ . 1 . 2]" 1
310 1 23 LYS HB2 1 25 HIS H 4.930 . 4.930 4.778 4.718 4.854 . 0 0 "[ . 1 . 2]" 1
311 1 23 LYS HB2 1 78 PRO HA 3.690 . 3.690 3.470 3.336 3.571 . 0 0 "[ . 1 . 2]" 1
312 1 23 LYS HB2 1 78 PRO HB3 4.680 . 4.680 2.479 2.207 2.742 . 0 0 "[ . 1 . 2]" 1
313 1 23 LYS HB2 1 78 PRO HG3 4.680 . 4.680 3.961 3.659 4.271 . 0 0 "[ . 1 . 2]" 1
314 1 23 LYS HB2 1 79 CYS H 5.210 . 5.210 5.136 4.990 5.221 0.011 1 0 "[ . 1 . 2]" 1
315 1 23 LYS QD 1 76 ILE HB 5.390 . 5.390 3.946 3.840 4.073 . 0 0 "[ . 1 . 2]" 1
316 1 23 LYS QD 1 76 ILE MD 7.400 . 7.400 5.131 5.066 5.195 . 0 0 "[ . 1 . 2]" 1
317 1 23 LYS QD 1 76 ILE MG 5.530 . 5.530 3.149 3.039 3.327 . 0 0 "[ . 1 . 2]" 1
318 1 23 LYS QD 1 77 ALA HA 5.500 . 5.500 2.669 2.528 2.771 . 0 0 "[ . 1 . 2]" 1
319 1 23 LYS QD 1 78 PRO HA 4.650 . 4.650 2.553 2.357 2.736 . 0 0 "[ . 1 . 2]" 1
320 1 23 LYS QD 1 78 PRO HB3 5.270 . 5.270 2.672 2.451 2.871 . 0 0 "[ . 1 . 2]" 1
321 1 23 LYS QD 1 78 PRO HD3 5.370 . 5.370 2.013 1.951 2.120 . 0 0 "[ . 1 . 2]" 1
322 1 23 LYS QD 1 78 PRO HD2 5.370 . 5.370 3.405 3.302 3.495 . 0 0 "[ . 1 . 2]" 1
323 1 23 LYS QD 1 78 PRO QD 5.680 . 5.680 1.999 1.939 2.102 . 0 0 "[ . 1 . 2]" 1
324 1 23 LYS QD 1 78 PRO HG3 4.970 . 4.970 3.491 3.327 3.695 . 0 0 "[ . 1 . 2]" 1
325 1 23 LYS QD 1 78 PRO HG2 5.430 . 5.430 4.184 4.008 4.349 . 0 0 "[ . 1 . 2]" 1
326 1 23 LYS QE 1 76 ILE MG 6.900 . 6.900 4.991 4.928 5.046 . 0 0 "[ . 1 . 2]" 1
327 1 23 LYS QE 1 77 ALA HA 5.650 . 5.650 3.637 3.205 3.850 . 0 0 "[ . 1 . 2]" 1
328 1 23 LYS QE 1 78 PRO HA 5.360 . 5.360 4.365 4.235 4.556 . 0 0 "[ . 1 . 2]" 1
329 1 23 LYS QE 1 78 PRO HB3 5.310 . 5.310 3.603 3.468 3.814 . 0 0 "[ . 1 . 2]" 1
330 1 23 LYS QE 1 78 PRO HB2 5.790 . 5.790 5.043 4.936 5.219 . 0 0 "[ . 1 . 2]" 1
331 1 23 LYS QE 1 78 PRO HD3 5.650 . 5.650 2.308 2.148 2.523 . 0 0 "[ . 1 . 2]" 1
332 1 23 LYS QE 1 78 PRO HD2 5.650 . 5.650 3.934 3.787 4.086 . 0 0 "[ . 1 . 2]" 1
333 1 23 LYS QE 1 78 PRO QD 5.800 . 5.800 2.293 2.136 2.501 . 0 0 "[ . 1 . 2]" 1
334 1 23 LYS QE 1 78 PRO HG3 5.830 . 5.830 3.535 3.383 3.850 . 0 0 "[ . 1 . 2]" 1
335 1 23 LYS QE 1 78 PRO HG2 6.020 . 6.020 4.801 4.708 5.013 . 0 0 "[ . 1 . 2]" 1
336 1 23 LYS HG3 1 24 GLY H 5.040 . 5.040 4.694 4.645 4.735 . 0 0 "[ . 1 . 2]" 1
337 1 23 LYS HG3 1 78 PRO HA 4.420 . 4.420 3.113 2.873 3.326 . 0 0 "[ . 1 . 2]" 1
338 1 23 LYS HG2 1 24 GLY H 5.500 . 5.500 5.516 5.499 5.534 0.034 20 0 "[ . 1 . 2]" 1
339 1 23 LYS HG2 1 76 ILE MG 5.770 . 5.770 4.414 4.042 4.628 . 0 0 "[ . 1 . 2]" 1
340 1 23 LYS HG2 1 78 PRO HA 4.960 . 4.960 4.652 4.419 4.819 . 0 0 "[ . 1 . 2]" 1
341 1 23 LYS H 1 23 LYS HA 2.820 . 2.820 2.496 2.319 2.768 . 0 0 "[ . 1 . 2]" 1
342 1 23 LYS H 1 23 LYS HB3 4.000 . 4.000 2.926 2.706 3.067 . 0 0 "[ . 1 . 2]" 1
343 1 23 LYS H 1 23 LYS HB2 4.120 . 4.120 3.790 3.559 3.941 . 0 0 "[ . 1 . 2]" 1
344 1 23 LYS H 1 23 LYS QD 5.180 . 5.180 4.428 3.945 4.729 . 0 0 "[ . 1 . 2]" 1
345 1 23 LYS H 1 23 LYS QE 5.520 . 5.520 4.492 4.094 4.701 . 0 0 "[ . 1 . 2]" 1
346 1 23 LYS H 1 23 LYS HG3 3.600 . 3.600 2.939 2.380 3.302 . 0 0 "[ . 1 . 2]" 1
347 1 23 LYS H 1 23 LYS HG2 3.510 . 3.510 2.728 2.145 3.118 . 0 0 "[ . 1 . 2]" 1
348 1 23 LYS H 1 24 GLY H 4.310 . 4.310 3.819 3.565 4.218 . 0 0 "[ . 1 . 2]" 1
349 1 23 LYS H 1 25 HIS H 4.680 . 4.680 3.958 3.837 4.024 . 0 0 "[ . 1 . 2]" 1
350 1 24 GLY HA3 1 79 CYS HB3 4.530 . 4.530 4.068 4.004 4.117 . 0 0 "[ . 1 . 2]" 1
351 1 24 GLY HA3 1 79 CYS HB2 4.490 . 4.490 4.264 4.194 4.319 . 0 0 "[ . 1 . 2]" 1
352 1 24 GLY HA3 1 79 CYS H 4.070 . 4.070 3.164 3.031 3.222 . 0 0 "[ . 1 . 2]" 1
353 1 24 GLY HA2 1 79 CYS HB3 4.730 . 4.730 4.795 4.779 4.808 0.078 5 0 "[ . 1 . 2]" 1
354 1 24 GLY HA2 1 79 CYS HB2 5.250 . 5.250 4.860 4.833 4.892 . 0 0 "[ . 1 . 2]" 1
355 1 24 GLY HA2 1 79 CYS H 5.010 . 5.010 4.467 4.396 4.517 . 0 0 "[ . 1 . 2]" 1
356 1 24 GLY H 1 25 HIS HB2 5.130 . 5.130 4.966 4.903 5.007 . 0 0 "[ . 1 . 2]" 1
357 1 24 GLY H 1 25 HIS H 3.430 . 3.430 2.767 2.735 2.794 . 0 0 "[ . 1 . 2]" 1
358 1 24 GLY H 1 78 PRO HB3 5.500 . 5.500 4.861 4.742 4.954 . 0 0 "[ . 1 . 2]" 1
359 1 24 GLY H 1 79 CYS H 5.480 . 5.480 5.244 5.213 5.278 . 0 0 "[ . 1 . 2]" 1
360 1 25 HIS HA 1 26 GLU HA 4.690 . 4.690 4.388 4.380 4.398 . 0 0 "[ . 1 . 2]" 1
361 1 25 HIS HA 1 26 GLU H 3.140 . 3.140 2.151 2.131 2.166 . 0 0 "[ . 1 . 2]" 1
362 1 25 HIS HA 1 59 ARG HB2 5.460 . 5.460 5.096 4.950 5.489 0.029 11 0 "[ . 1 . 2]" 1
363 1 25 HIS HA 1 59 ARG QD 5.360 . 5.360 3.298 3.044 4.558 . 0 0 "[ . 1 . 2]" 1
364 1 25 HIS HA 1 59 ARG QG 5.690 . 5.690 4.956 3.512 5.147 . 0 0 "[ . 1 . 2]" 1
365 1 25 HIS HA 1 79 CYS HA 5.070 . 5.070 4.590 4.475 4.749 . 0 0 "[ . 1 . 2]" 1
366 1 25 HIS HA 1 79 CYS HB3 4.070 . 4.070 3.864 3.804 3.961 . 0 0 "[ . 1 . 2]" 1
367 1 25 HIS HA 1 79 CYS HB2 4.160 . 4.160 2.384 2.342 2.473 . 0 0 "[ . 1 . 2]" 1
368 1 25 HIS HB3 1 26 GLU H 3.480 . 3.480 3.442 3.363 3.489 0.009 16 0 "[ . 1 . 2]" 1
369 1 25 HIS HB2 1 26 GLU H 4.550 . 4.550 4.374 4.329 4.413 . 0 0 "[ . 1 . 2]" 1
370 1 25 HIS H 1 25 HIS HB3 3.470 . 3.470 3.352 3.341 3.371 . 0 0 "[ . 1 . 2]" 1
371 1 25 HIS H 1 25 HIS HB2 3.570 . 3.570 2.552 2.507 2.580 . 0 0 "[ . 1 . 2]" 1
372 1 25 HIS H 1 26 GLU H 4.730 . 4.730 4.393 4.372 4.416 . 0 0 "[ . 1 . 2]" 1
373 1 25 HIS H 1 79 CYS HB2 4.430 . 4.430 4.461 4.440 4.475 0.045 1 0 "[ . 1 . 2]" 1
374 1 25 HIS H 1 79 CYS H 4.020 . 4.020 4.039 4.018 4.071 0.051 4 0 "[ . 1 . 2]" 1
375 1 26 GLU HA 1 26 GLU HG3 3.710 . 3.710 2.390 2.094 3.106 . 0 0 "[ . 1 . 2]" 1
376 1 26 GLU HA 1 26 GLU HG2 3.710 . 3.710 2.932 2.111 3.669 . 0 0 "[ . 1 . 2]" 1
377 1 26 GLU HA 1 27 PHE HA 4.650 . 4.650 4.560 4.505 4.596 . 0 0 "[ . 1 . 2]" 1
378 1 26 GLU HA 1 27 PHE H 2.870 . 2.870 2.381 2.296 2.434 . 0 0 "[ . 1 . 2]" 1
379 1 26 GLU HA 1 58 ARG HD3 5.270 . 5.270 5.160 4.930 5.275 0.005 13 0 "[ . 1 . 2]" 1
380 1 26 GLU HA 1 58 ARG HG2 5.500 . 5.500 4.918 4.810 5.046 . 0 0 "[ . 1 . 2]" 1
381 1 26 GLU HA 1 59 ARG QD 6.050 . 6.050 4.613 4.421 5.026 . 0 0 "[ . 1 . 2]" 1
382 1 26 GLU HB3 1 27 PHE H 4.900 . 4.900 4.256 4.182 4.348 . 0 0 "[ . 1 . 2]" 1
383 1 26 GLU HB3 1 58 ARG HD3 4.840 . 4.840 2.613 2.326 2.806 . 0 0 "[ . 1 . 2]" 1
384 1 26 GLU HB3 1 58 ARG HG3 4.500 . 4.500 3.616 3.164 4.210 . 0 0 "[ . 1 . 2]" 1
385 1 26 GLU HB3 1 58 ARG HG2 4.300 . 4.300 2.615 2.241 3.264 . 0 0 "[ . 1 . 2]" 1
386 1 26 GLU HB2 1 27 PHE H 4.900 . 4.900 4.611 4.508 4.665 . 0 0 "[ . 1 . 2]" 1
387 1 26 GLU HB2 1 58 ARG HD3 4.840 . 4.840 3.916 3.141 4.341 . 0 0 "[ . 1 . 2]" 1
388 1 26 GLU HB2 1 58 ARG HG3 4.500 . 4.500 4.017 3.534 4.504 0.004 20 0 "[ . 1 . 2]" 1
389 1 26 GLU HB2 1 58 ARG HG2 4.300 . 4.300 3.475 2.934 3.991 . 0 0 "[ . 1 . 2]" 1
390 1 26 GLU QB 1 27 PHE H 5.100 . 5.100 3.928 3.883 3.993 . 0 0 "[ . 1 . 2]" 1
391 1 26 GLU QB 1 58 ARG HB2 6.220 . 6.220 5.073 4.928 5.194 . 0 0 "[ . 1 . 2]" 1
392 1 26 GLU QB 1 58 ARG HD2 5.390 . 5.390 4.073 3.864 4.231 . 0 0 "[ . 1 . 2]" 1
393 1 26 GLU QB 1 58 ARG HG2 4.610 . 4.610 2.501 2.227 2.734 . 0 0 "[ . 1 . 2]" 1
394 1 26 GLU QB 1 58 ARG H 5.250 . 5.250 3.747 3.562 3.901 . 0 0 "[ . 1 . 2]" 1
395 1 26 GLU QB 1 59 ARG QD 6.380 . 6.380 2.435 2.161 2.880 . 0 0 "[ . 1 . 2]" 1
396 1 26 GLU QG 1 27 PHE H 5.680 . 5.680 4.189 3.911 4.668 . 0 0 "[ . 1 . 2]" 1
397 1 26 GLU QG 1 58 ARG HD3 6.080 . 6.080 3.597 2.480 4.395 . 0 0 "[ . 1 . 2]" 1
398 1 26 GLU QG 1 58 ARG HG3 6.220 . 6.220 4.998 4.360 5.476 . 0 0 "[ . 1 . 2]" 1
399 1 26 GLU QG 1 58 ARG HG2 6.090 . 6.090 4.331 3.496 4.811 . 0 0 "[ . 1 . 2]" 1
400 1 26 GLU QG 1 59 ARG QD 6.150 . 6.150 4.350 3.918 4.792 . 0 0 "[ . 1 . 2]" 1
401 1 26 GLU QG 1 59 ARG QG 6.940 . 6.940 5.353 5.016 5.543 . 0 0 "[ . 1 . 2]" 1
402 1 26 GLU H 1 27 PHE H 5.080 . 5.080 3.480 3.394 3.637 . 0 0 "[ . 1 . 2]" 1
403 1 26 GLU H 1 58 ARG H 4.480 . 4.480 4.208 4.082 4.289 . 0 0 "[ . 1 . 2]" 1
404 1 26 GLU H 1 59 ARG QD 5.280 . 5.280 2.525 2.328 3.340 . 0 0 "[ . 1 . 2]" 1
405 1 26 GLU H 1 59 ARG H 5.480 . 5.480 5.515 5.494 5.526 0.046 7 0 "[ . 1 . 2]" 1
406 1 27 PHE HA 1 28 ILE MD 5.930 . 5.930 4.004 3.885 4.109 . 0 0 "[ . 1 . 2]" 1
407 1 27 PHE HA 1 28 ILE HG13 4.670 . 4.670 4.715 4.710 4.724 0.054 4 0 "[ . 1 . 2]" 1
408 1 27 PHE HA 1 28 ILE HG12 4.670 . 4.670 3.033 3.012 3.063 . 0 0 "[ . 1 . 2]" 1
409 1 27 PHE HA 1 28 ILE MG 6.520 . 6.520 5.336 5.320 5.357 . 0 0 "[ . 1 . 2]" 1
410 1 27 PHE HA 1 28 ILE H 2.810 . 2.810 2.355 2.346 2.363 . 0 0 "[ . 1 . 2]" 1
411 1 27 PHE HA 1 55 LEU HB3 4.390 . 4.390 4.034 3.991 4.094 . 0 0 "[ . 1 . 2]" 1
412 1 27 PHE HA 1 55 LEU HB2 5.500 . 5.500 5.064 4.881 5.169 . 0 0 "[ . 1 . 2]" 1
413 1 27 PHE HA 1 55 LEU MD1 6.390 . 6.390 5.105 5.063 5.150 . 0 0 "[ . 1 . 2]" 1
414 1 27 PHE HA 1 57 CYS HA 3.380 . 3.380 2.110 2.007 2.218 . 0 0 "[ . 1 . 2]" 1
415 1 27 PHE HA 1 57 CYS HB3 5.070 . 5.070 4.903 4.781 5.078 0.008 4 0 "[ . 1 . 2]" 1
416 1 27 PHE HA 1 57 CYS HB2 4.730 . 4.730 3.778 3.642 4.010 . 0 0 "[ . 1 . 2]" 1
417 1 27 PHE HA 1 57 CYS H 4.470 . 4.470 4.115 3.983 4.273 . 0 0 "[ . 1 . 2]" 1
418 1 27 PHE HA 1 58 ARG HG2 5.500 . 5.500 4.535 4.416 4.634 . 0 0 "[ . 1 . 2]" 1
419 1 27 PHE HA 1 58 ARG H 3.520 . 3.520 3.516 3.478 3.538 0.018 1 0 "[ . 1 . 2]" 1
420 1 27 PHE HB3 1 28 ILE H 4.180 . 4.180 2.580 2.499 2.601 . 0 0 "[ . 1 . 2]" 1
421 1 27 PHE HB3 1 55 LEU HA 4.790 . 4.790 3.703 3.624 3.788 . 0 0 "[ . 1 . 2]" 1
422 1 27 PHE HB3 1 55 LEU HB3 4.370 . 4.370 1.876 1.796 1.921 0.004 15 0 "[ . 1 . 2]" 1
423 1 27 PHE HB3 1 55 LEU HB2 4.770 . 4.770 2.781 2.573 2.899 . 0 0 "[ . 1 . 2]" 1
424 1 27 PHE HB3 1 55 LEU MD1 5.250 . 5.250 3.240 3.157 3.335 . 0 0 "[ . 1 . 2]" 1
425 1 27 PHE HB3 1 55 LEU MD2 5.060 . 5.060 3.842 3.744 3.917 . 0 0 "[ . 1 . 2]" 1
426 1 27 PHE HB3 1 56 GLU H 5.070 . 5.070 3.861 3.661 3.936 . 0 0 "[ . 1 . 2]" 1
427 1 27 PHE HB2 1 28 ILE H 4.180 . 4.180 3.395 3.330 3.519 . 0 0 "[ . 1 . 2]" 1
428 1 27 PHE HB2 1 55 LEU HA 4.790 . 4.790 4.515 4.391 4.725 . 0 0 "[ . 1 . 2]" 1
429 1 27 PHE HB2 1 55 LEU HB3 4.370 . 4.370 2.374 2.282 2.525 . 0 0 "[ . 1 . 2]" 1
430 1 27 PHE HB2 1 55 LEU HB2 4.770 . 4.770 3.636 3.425 3.810 . 0 0 "[ . 1 . 2]" 1
431 1 27 PHE HB2 1 55 LEU MD1 5.250 . 5.250 2.615 2.540 2.701 . 0 0 "[ . 1 . 2]" 1
432 1 27 PHE HB2 1 55 LEU MD2 5.060 . 5.060 3.658 3.538 3.837 . 0 0 "[ . 1 . 2]" 1
433 1 27 PHE HB2 1 56 GLU H 5.070 . 5.070 5.082 5.074 5.093 0.023 15 0 "[ . 1 . 2]" 1
434 1 27 PHE QB 1 28 ILE H 4.460 . 4.460 2.505 2.449 2.521 . 0 0 "[ . 1 . 2]" 1
435 1 27 PHE QB 1 55 LEU HA 5.090 . 5.090 3.542 3.469 3.630 . 0 0 "[ . 1 . 2]" 1
436 1 27 PHE QB 1 55 LEU HB3 4.510 . 4.510 1.808 1.760 1.860 0.040 15 0 "[ . 1 . 2]" 1
437 1 27 PHE QB 1 55 LEU HB2 5.040 . 5.040 2.697 2.503 2.815 . 0 0 "[ . 1 . 2]" 1
438 1 27 PHE QB 1 55 LEU MD1 5.600 . 5.600 2.510 2.450 2.588 . 0 0 "[ . 1 . 2]" 1
439 1 27 PHE QB 1 56 GLU H 5.080 . 5.080 3.749 3.583 3.809 . 0 0 "[ . 1 . 2]" 1
440 1 27 PHE H 1 27 PHE HB3 3.770 . 3.770 3.577 3.568 3.606 . 0 0 "[ . 1 . 2]" 1
441 1 27 PHE H 1 27 PHE HB2 3.770 . 3.770 2.794 2.654 2.846 . 0 0 "[ . 1 . 2]" 1
442 1 27 PHE H 1 28 ILE H 4.830 . 4.830 4.625 4.613 4.634 . 0 0 "[ . 1 . 2]" 1
443 1 27 PHE H 1 55 LEU HB3 5.150 . 5.150 5.019 4.952 5.142 . 0 0 "[ . 1 . 2]" 1
444 1 27 PHE H 1 55 LEU MD1 6.280 . 6.280 4.913 4.863 5.009 . 0 0 "[ . 1 . 2]" 1
445 1 28 ILE HA 1 29 PRO HA 4.550 . 4.550 4.438 4.433 4.444 . 0 0 "[ . 1 . 2]" 1
446 1 28 ILE HA 1 29 PRO HB3 4.840 . 4.840 4.878 4.865 4.889 0.049 16 0 "[ . 1 . 2]" 1
447 1 28 ILE HA 1 29 PRO HB2 5.490 . 5.490 5.508 5.499 5.517 0.027 4 0 "[ . 1 . 2]" 1
448 1 28 ILE HA 1 29 PRO HD3 3.170 . 3.170 2.311 2.283 2.342 . 0 0 "[ . 1 . 2]" 1
449 1 28 ILE HA 1 29 PRO HD2 3.110 . 3.110 2.149 2.117 2.198 . 0 0 "[ . 1 . 2]" 1
450 1 28 ILE HA 1 29 PRO HG3 4.410 . 4.410 4.386 4.374 4.395 . 0 0 "[ . 1 . 2]" 1
451 1 28 ILE HA 1 29 PRO HG2 4.380 . 4.380 4.318 4.295 4.355 . 0 0 "[ . 1 . 2]" 1
452 1 28 ILE HA 1 55 LEU MD2 5.600 . 5.600 4.133 4.052 4.282 . 0 0 "[ . 1 . 2]" 1
453 1 28 ILE HB 1 29 PRO HA 5.500 . 5.500 5.127 5.112 5.145 . 0 0 "[ . 1 . 2]" 1
454 1 28 ILE HB 1 29 PRO HD3 4.850 . 4.850 4.863 4.838 4.876 0.026 17 0 "[ . 1 . 2]" 1
455 1 28 ILE HB 1 29 PRO HD2 4.070 . 4.070 3.945 3.900 3.983 . 0 0 "[ . 1 . 2]" 1
456 1 28 ILE HB 1 30 THR HB 5.070 . 5.070 4.144 4.036 4.282 . 0 0 "[ . 1 . 2]" 1
457 1 28 ILE HB 1 30 THR MG 5.170 . 5.170 3.493 3.181 3.694 . 0 0 "[ . 1 . 2]" 1
458 1 28 ILE HB 1 55 LEU HA 5.500 . 5.500 4.701 4.656 4.750 . 0 0 "[ . 1 . 2]" 1
459 1 28 ILE HB 1 55 LEU MD2 6.520 . 6.520 5.230 5.204 5.304 . 0 0 "[ . 1 . 2]" 1
460 1 28 ILE HB 1 56 GLU H 4.070 . 4.070 3.224 3.143 3.285 . 0 0 "[ . 1 . 2]" 1
461 1 28 ILE MD 1 29 PRO HD3 6.520 . 6.520 4.000 3.894 4.136 . 0 0 "[ . 1 . 2]" 1
462 1 28 ILE MD 1 29 PRO HD2 5.460 . 5.460 3.287 3.206 3.490 . 0 0 "[ . 1 . 2]" 1
463 1 28 ILE MD 1 56 GLU HB3 6.320 . 6.320 5.338 5.330 5.346 . 0 0 "[ . 1 . 2]" 1
464 1 28 ILE MD 1 58 ARG HB3 4.300 . 4.300 2.478 2.191 2.576 . 0 0 "[ . 1 . 2]" 1
465 1 28 ILE MD 1 58 ARG HB2 4.880 . 4.880 3.582 3.380 3.664 . 0 0 "[ . 1 . 2]" 1
466 1 28 ILE MD 1 58 ARG HD3 4.860 . 4.860 2.182 1.891 2.432 . 0 0 "[ . 1 . 2]" 1
467 1 28 ILE MD 1 58 ARG HD2 4.750 . 4.750 2.187 1.837 2.503 . 0 0 "[ . 1 . 2]" 1
468 1 28 ILE MD 1 58 ARG HG2 4.890 . 4.890 2.698 2.568 2.849 . 0 0 "[ . 1 . 2]" 1
469 1 28 ILE MD 1 58 ARG H 5.570 . 5.570 3.634 3.562 3.749 . 0 0 "[ . 1 . 2]" 1
470 1 28 ILE HG13 1 29 PRO HD2 5.280 . 5.280 5.091 5.055 5.124 . 0 0 "[ . 1 . 2]" 1
471 1 28 ILE HG13 1 56 GLU H 5.200 . 5.200 5.128 5.040 5.202 0.002 5 0 "[ . 1 . 2]" 1
472 1 28 ILE HG13 1 58 ARG HD3 5.000 . 5.000 4.307 3.857 4.590 . 0 0 "[ . 1 . 2]" 1
473 1 28 ILE HG13 1 58 ARG HD2 4.960 . 4.960 3.614 3.198 3.940 . 0 0 "[ . 1 . 2]" 1
474 1 28 ILE HG12 1 29 PRO HD2 5.280 . 5.280 4.879 4.852 4.911 . 0 0 "[ . 1 . 2]" 1
475 1 28 ILE HG12 1 56 GLU H 5.200 . 5.200 4.459 4.322 4.537 . 0 0 "[ . 1 . 2]" 1
476 1 28 ILE HG12 1 58 ARG HD3 5.000 . 5.000 4.197 3.715 4.524 . 0 0 "[ . 1 . 2]" 1
477 1 28 ILE HG12 1 58 ARG HD2 4.960 . 4.960 4.220 3.755 4.537 . 0 0 "[ . 1 . 2]" 1
478 1 28 ILE QG 1 29 PRO HD3 6.220 . 6.220 5.039 4.999 5.091 . 0 0 "[ . 1 . 2]" 1
479 1 28 ILE QG 1 29 PRO HD2 5.470 . 5.470 4.434 4.414 4.460 . 0 0 "[ . 1 . 2]" 1
480 1 28 ILE QG 1 56 GLU H 5.440 . 5.440 4.200 4.088 4.269 . 0 0 "[ . 1 . 2]" 1
481 1 28 ILE QG 1 58 ARG HD3 5.190 . 5.190 3.785 3.369 4.059 . 0 0 "[ . 1 . 2]" 1
482 1 28 ILE QG 1 58 ARG HD2 5.240 . 5.240 3.419 3.030 3.713 . 0 0 "[ . 1 . 2]" 1
483 1 28 ILE QG 1 58 ARG H 4.580 . 4.580 3.061 3.004 3.112 . 0 0 "[ . 1 . 2]" 1
484 1 28 ILE MG 1 29 PRO HA 5.500 . 5.500 4.320 4.280 4.394 . 0 0 "[ . 1 . 2]" 1
485 1 28 ILE MG 1 29 PRO HB3 6.520 . 6.520 4.830 4.792 4.890 . 0 0 "[ . 1 . 2]" 1
486 1 28 ILE MG 1 29 PRO HB2 5.810 . 5.810 4.591 4.538 4.659 . 0 0 "[ . 1 . 2]" 1
487 1 28 ILE MG 1 29 PRO HD3 4.250 . 4.250 3.275 3.230 3.315 . 0 0 "[ . 1 . 2]" 1
488 1 28 ILE MG 1 29 PRO HD2 4.450 . 4.450 1.949 1.895 1.999 . 0 0 "[ . 1 . 2]" 1
489 1 28 ILE MG 1 29 PRO HG3 5.160 . 5.160 4.113 4.049 4.155 . 0 0 "[ . 1 . 2]" 1
490 1 28 ILE MG 1 29 PRO HG2 4.790 . 4.790 3.194 3.096 3.267 . 0 0 "[ . 1 . 2]" 1
491 1 28 ILE MG 1 30 THR HA 6.230 . 6.230 4.960 4.873 4.986 . 0 0 "[ . 1 . 2]" 1
492 1 28 ILE MG 1 30 THR HB 5.130 . 5.130 3.614 3.470 3.693 . 0 0 "[ . 1 . 2]" 1
493 1 28 ILE MG 1 30 THR MG 6.130 . 6.130 3.909 3.618 4.040 . 0 0 "[ . 1 . 2]" 1
494 1 28 ILE MG 1 30 THR H 6.020 . 6.020 4.781 4.658 4.802 . 0 0 "[ . 1 . 2]" 1
495 1 28 ILE MG 1 58 ARG HB3 5.770 . 5.770 4.163 4.135 4.198 . 0 0 "[ . 1 . 2]" 1
496 1 28 ILE MG 1 58 ARG HB2 6.520 . 6.520 5.329 5.296 5.351 . 0 0 "[ . 1 . 2]" 1
497 1 28 ILE MG 1 58 ARG HD3 6.380 . 6.380 4.915 4.605 5.195 . 0 0 "[ . 1 . 2]" 1
498 1 28 ILE MG 1 58 ARG HD2 5.800 . 5.800 4.469 4.080 4.715 . 0 0 "[ . 1 . 2]" 1
499 1 28 ILE MG 1 58 ARG HG2 6.520 . 6.520 5.383 5.373 5.394 . 0 0 "[ . 1 . 2]" 1
500 1 28 ILE H 1 28 ILE HB 3.290 . 3.290 2.852 2.812 2.876 . 0 0 "[ . 1 . 2]" 1
501 1 28 ILE H 1 28 ILE MD 5.480 . 5.480 3.755 3.700 3.814 . 0 0 "[ . 1 . 2]" 1
502 1 28 ILE H 1 28 ILE HG13 4.130 . 4.130 3.872 3.826 3.911 . 0 0 "[ . 1 . 2]" 1
503 1 28 ILE H 1 28 ILE HG12 4.130 . 4.130 2.515 2.486 2.542 . 0 0 "[ . 1 . 2]" 1
504 1 28 ILE H 1 28 ILE QG 4.330 . 4.330 2.485 2.458 2.510 . 0 0 "[ . 1 . 2]" 1
505 1 28 ILE H 1 29 PRO HD3 5.100 . 5.100 4.710 4.677 4.738 . 0 0 "[ . 1 . 2]" 1
506 1 28 ILE H 1 29 PRO HD2 5.190 . 5.190 4.836 4.811 4.864 . 0 0 "[ . 1 . 2]" 1
507 1 28 ILE H 1 55 LEU HB3 4.270 . 4.270 3.211 3.080 3.294 . 0 0 "[ . 1 . 2]" 1
508 1 28 ILE H 1 55 LEU MD1 6.380 . 6.380 4.831 4.769 4.873 . 0 0 "[ . 1 . 2]" 1
509 1 28 ILE H 1 55 LEU MD2 5.910 . 5.910 4.025 3.965 4.158 . 0 0 "[ . 1 . 2]" 1
510 1 28 ILE H 1 56 GLU HA 5.320 . 5.320 4.037 3.984 4.100 . 0 0 "[ . 1 . 2]" 1
511 1 28 ILE H 1 56 GLU HB3 4.550 . 4.550 3.814 3.773 3.858 . 0 0 "[ . 1 . 2]" 1
512 1 28 ILE H 1 56 GLU HB2 5.210 . 5.210 4.732 4.627 4.781 . 0 0 "[ . 1 . 2]" 1
513 1 28 ILE H 1 56 GLU H 3.420 . 3.420 2.518 2.370 2.597 . 0 0 "[ . 1 . 2]" 1
514 1 28 ILE H 1 57 CYS HA 4.050 . 4.050 3.583 3.478 3.675 . 0 0 "[ . 1 . 2]" 1
515 1 28 ILE H 1 57 CYS H 5.250 . 5.250 4.448 4.343 4.550 . 0 0 "[ . 1 . 2]" 1
516 1 29 PRO HA 1 30 THR HA 4.550 . 4.550 4.354 4.349 4.359 . 0 0 "[ . 1 . 2]" 1
517 1 29 PRO HA 1 30 THR HB 4.990 . 4.990 4.675 4.629 4.743 . 0 0 "[ . 1 . 2]" 1
518 1 29 PRO HA 1 30 THR MG 5.340 . 5.340 3.894 3.766 3.992 . 0 0 "[ . 1 . 2]" 1
519 1 29 PRO HA 1 30 THR H 2.620 . 2.620 2.156 2.145 2.176 . 0 0 "[ . 1 . 2]" 1
520 1 29 PRO HA 1 55 LEU MD1 6.060 . 6.060 4.617 4.505 4.688 . 0 0 "[ . 1 . 2]" 1
521 1 29 PRO HA 1 55 LEU MD2 3.940 . 3.940 2.091 1.945 2.173 . 0 0 "[ . 1 . 2]" 1
522 1 29 PRO HA 1 55 LEU HG 5.300 . 5.300 4.582 4.519 4.629 . 0 0 "[ . 1 . 2]" 1
523 1 29 PRO HB3 1 30 THR HA 5.500 . 5.500 5.552 5.546 5.567 0.067 8 0 "[ . 1 . 2]" 1
524 1 29 PRO HB3 1 30 THR H 4.480 . 4.480 4.177 4.145 4.230 . 0 0 "[ . 1 . 2]" 1
525 1 29 PRO HB3 1 55 LEU HA 5.480 . 5.480 4.967 4.903 5.083 . 0 0 "[ . 1 . 2]" 1
526 1 29 PRO HB3 1 55 LEU MD2 4.850 . 4.850 2.907 2.829 2.963 . 0 0 "[ . 1 . 2]" 1
527 1 29 PRO HB2 1 30 THR HA 4.870 . 4.870 4.240 4.221 4.265 . 0 0 "[ . 1 . 2]" 1
528 1 29 PRO HB2 1 30 THR HB 5.320 . 5.320 5.293 5.237 5.321 0.001 13 0 "[ . 1 . 2]" 1
529 1 29 PRO HB2 1 30 THR H 3.950 . 3.950 3.806 3.754 3.872 . 0 0 "[ . 1 . 2]" 1
530 1 29 PRO HB2 1 55 LEU MD2 5.350 . 5.350 3.959 3.883 4.010 . 0 0 "[ . 1 . 2]" 1
531 1 29 PRO HD3 1 55 LEU MD2 5.510 . 5.510 3.512 3.390 3.634 . 0 0 "[ . 1 . 2]" 1
532 1 29 PRO HD2 1 55 LEU MD2 6.030 . 6.030 4.557 4.474 4.647 . 0 0 "[ . 1 . 2]" 1
533 1 29 PRO HG3 1 55 LEU MD2 6.020 . 6.020 4.417 4.351 4.481 . 0 0 "[ . 1 . 2]" 1
534 1 29 PRO HG2 1 30 THR HA 5.410 . 5.410 5.103 5.072 5.121 . 0 0 "[ . 1 . 2]" 1
535 1 30 THR HA 1 30 THR HB 2.670 . 2.670 2.452 2.421 2.469 . 0 0 "[ . 1 . 2]" 1
536 1 30 THR HA 1 31 LEU QD 6.430 . 6.430 3.904 3.782 4.038 . 0 0 "[ . 1 . 2]" 1
537 1 30 THR HA 1 31 LEU HG 3.780 . 3.780 3.618 3.427 3.704 . 0 0 "[ . 1 . 2]" 1
538 1 30 THR HA 1 31 LEU H 2.610 . 2.610 2.442 2.414 2.501 . 0 0 "[ . 1 . 2]" 1
539 1 30 THR HB 1 56 GLU HB2 5.500 . 5.500 4.731 4.531 5.095 . 0 0 "[ . 1 . 2]" 1
540 1 30 THR MG 1 31 LEU H 4.390 . 4.390 3.386 3.309 3.467 . 0 0 "[ . 1 . 2]" 1
541 1 30 THR MG 1 32 TYR HA 6.390 . 6.390 5.077 4.924 5.186 . 0 0 "[ . 1 . 2]" 1
542 1 30 THR MG 1 54 ALA HA 6.230 . 6.230 5.029 4.964 5.082 . 0 0 "[ . 1 . 2]" 1
543 1 30 THR MG 1 54 ALA MB 5.160 . 5.160 3.051 2.902 3.337 . 0 0 "[ . 1 . 2]" 1
544 1 30 THR MG 1 55 LEU HA 5.200 . 5.200 3.337 3.166 3.514 . 0 0 "[ . 1 . 2]" 1
545 1 30 THR MG 1 56 GLU HA 6.030 . 6.030 4.136 4.007 4.307 . 0 0 "[ . 1 . 2]" 1
546 1 30 THR MG 1 56 GLU HB3 4.870 . 4.870 2.582 2.368 2.873 . 0 0 "[ . 1 . 2]" 1
547 1 30 THR MG 1 56 GLU HB2 4.400 . 4.400 2.337 2.169 2.557 . 0 0 "[ . 1 . 2]" 1
548 1 30 THR MG 1 56 GLU HG3 5.880 . 5.880 3.969 3.779 4.405 . 0 0 "[ . 1 . 2]" 1
549 1 30 THR MG 1 56 GLU HG2 6.440 . 6.440 4.556 4.408 4.715 . 0 0 "[ . 1 . 2]" 1
550 1 30 THR MG 1 56 GLU H 4.580 . 4.580 2.586 2.419 2.810 . 0 0 "[ . 1 . 2]" 1
551 1 30 THR H 1 30 THR HB 3.610 . 3.610 3.391 3.359 3.444 . 0 0 "[ . 1 . 2]" 1
552 1 30 THR H 1 30 THR MG 4.300 . 4.300 2.434 2.330 2.607 . 0 0 "[ . 1 . 2]" 1
553 1 30 THR H 1 31 LEU H 4.400 . 4.400 4.382 4.374 4.388 . 0 0 "[ . 1 . 2]" 1
554 1 30 THR H 1 53 PRO HA 4.740 . 4.740 4.404 4.243 4.516 . 0 0 "[ . 1 . 2]" 1
555 1 30 THR H 1 54 ALA MB 5.110 . 5.110 3.867 3.709 4.049 . 0 0 "[ . 1 . 2]" 1
556 1 30 THR H 1 54 ALA H 3.670 . 3.670 3.657 3.498 3.692 0.022 16 0 "[ . 1 . 2]" 1
557 1 30 THR H 1 55 LEU MD2 4.560 . 4.560 3.211 3.051 3.286 . 0 0 "[ . 1 . 2]" 1
558 1 30 THR H 1 56 GLU H 4.440 . 4.440 3.919 3.778 4.066 . 0 0 "[ . 1 . 2]" 1
559 1 31 LEU HA 1 31 LEU HG 3.570 . 3.570 3.190 3.114 3.254 . 0 0 "[ . 1 . 2]" 1
560 1 31 LEU HA 1 32 TYR HA 4.720 . 4.720 4.449 4.424 4.458 . 0 0 "[ . 1 . 2]" 1
561 1 31 LEU HA 1 32 TYR H 2.860 . 2.860 2.340 2.295 2.360 . 0 0 "[ . 1 . 2]" 1
562 1 31 LEU HA 1 51 PRO HB3 5.140 . 5.140 4.877 4.778 5.008 . 0 0 "[ . 1 . 2]" 1
563 1 31 LEU HA 1 51 PRO HB2 4.010 . 4.010 3.451 3.372 3.544 . 0 0 "[ . 1 . 2]" 1
564 1 31 LEU HA 1 51 PRO QG 5.650 . 5.650 4.662 4.542 4.800 . 0 0 "[ . 1 . 2]" 1
565 1 31 LEU HA 1 52 PRO QD 6.280 . 6.280 5.199 4.987 5.337 . 0 0 "[ . 1 . 2]" 1
566 1 31 LEU HA 1 53 PRO HA 4.130 . 4.130 3.892 3.720 4.076 . 0 0 "[ . 1 . 2]" 1
567 1 31 LEU HA 1 54 ALA MB 4.560 . 4.560 3.113 2.812 3.313 . 0 0 "[ . 1 . 2]" 1
568 1 31 LEU HA 1 54 ALA H 4.190 . 4.190 2.820 2.659 2.933 . 0 0 "[ . 1 . 2]" 1
569 1 31 LEU HB3 1 32 TYR H 3.650 . 3.650 2.593 2.534 2.718 . 0 0 "[ . 1 . 2]" 1
570 1 31 LEU HB3 1 51 PRO HB3 4.640 . 4.640 3.273 3.133 3.396 . 0 0 "[ . 1 . 2]" 1
571 1 31 LEU HB3 1 51 PRO HB2 4.030 . 4.030 1.940 1.887 1.979 . 0 0 "[ . 1 . 2]" 1
572 1 31 LEU HB3 1 51 PRO HD3 5.500 . 5.500 5.159 5.060 5.255 . 0 0 "[ . 1 . 2]" 1
573 1 31 LEU HB3 1 51 PRO HD2 5.500 . 5.500 5.064 4.871 5.258 . 0 0 "[ . 1 . 2]" 1
574 1 31 LEU HB3 1 51 PRO QG 5.000 . 5.000 2.641 2.479 2.809 . 0 0 "[ . 1 . 2]" 1
575 1 31 LEU HB3 1 52 PRO QD 6.390 . 6.390 5.055 4.841 5.218 . 0 0 "[ . 1 . 2]" 1
576 1 31 LEU HB2 1 32 TYR H 3.720 . 3.720 3.724 3.718 3.730 0.010 1 0 "[ . 1 . 2]" 1
577 1 31 LEU HB2 1 51 PRO HB3 5.020 . 5.020 4.791 4.684 4.885 . 0 0 "[ . 1 . 2]" 1
578 1 31 LEU HB2 1 51 PRO HB2 4.290 . 4.290 3.660 3.538 3.721 . 0 0 "[ . 1 . 2]" 1
579 1 31 LEU HB2 1 51 PRO QG 4.960 . 4.960 3.570 3.323 3.721 . 0 0 "[ . 1 . 2]" 1
580 1 31 LEU MD1 1 51 PRO HB3 5.570 . 5.570 4.128 3.796 4.496 . 0 0 "[ . 1 . 2]" 1
581 1 31 LEU MD1 1 51 PRO HB2 4.850 . 4.850 3.007 2.702 3.328 . 0 0 "[ . 1 . 2]" 1
582 1 31 LEU MD1 1 51 PRO QG 5.270 . 5.270 1.941 1.797 2.345 0.003 1 0 "[ . 1 . 2]" 1
583 1 31 LEU MD1 1 52 PRO HA 6.520 . 6.520 4.894 4.649 5.157 . 0 0 "[ . 1 . 2]" 1
584 1 31 LEU MD2 1 51 PRO HB3 5.570 . 5.570 4.141 3.893 4.515 . 0 0 "[ . 1 . 2]" 1
585 1 31 LEU MD2 1 51 PRO HB2 4.850 . 4.850 2.560 2.292 3.035 . 0 0 "[ . 1 . 2]" 1
586 1 31 LEU MD2 1 51 PRO QG 5.270 . 5.270 3.155 2.963 3.317 . 0 0 "[ . 1 . 2]" 1
587 1 31 LEU MD2 1 52 PRO HA 6.520 . 6.520 3.535 3.341 3.720 . 0 0 "[ . 1 . 2]" 1
588 1 31 LEU QD 1 32 TYR HA 7.540 . 7.540 5.110 5.071 5.184 . 0 0 "[ . 1 . 2]" 1
589 1 31 LEU QD 1 32 TYR H 5.580 . 5.580 3.295 3.160 3.447 . 0 0 "[ . 1 . 2]" 1
590 1 31 LEU QD 1 45 LEU QD 9.560 . 9.560 4.709 4.549 4.850 . 0 0 "[ . 1 . 2]" 1
591 1 31 LEU QD 1 50 LYS HA 7.380 . 7.380 4.836 4.692 5.038 . 0 0 "[ . 1 . 2]" 1
592 1 31 LEU QD 1 50 LYS QD 8.420 . 8.420 4.969 4.546 5.340 . 0 0 "[ . 1 . 2]" 1
593 1 31 LEU QD 1 51 PRO HA 6.580 . 6.580 4.003 3.797 4.274 . 0 0 "[ . 1 . 2]" 1
594 1 31 LEU QD 1 51 PRO HB3 6.050 . 6.050 3.681 3.423 4.014 . 0 0 "[ . 1 . 2]" 1
595 1 31 LEU QD 1 51 PRO HB2 5.070 . 5.070 2.421 2.179 2.814 . 0 0 "[ . 1 . 2]" 1
596 1 31 LEU QD 1 51 PRO HD3 6.420 . 6.420 4.309 4.135 4.624 . 0 0 "[ . 1 . 2]" 1
597 1 31 LEU QD 1 51 PRO HD2 5.700 . 5.700 3.581 3.415 3.856 . 0 0 "[ . 1 . 2]" 1
598 1 31 LEU QD 1 51 PRO QG 5.850 . 5.850 1.923 1.787 2.299 0.013 1 0 "[ . 1 . 2]" 1
599 1 31 LEU QD 1 52 PRO HA 6.220 . 6.220 3.457 3.280 3.620 . 0 0 "[ . 1 . 2]" 1
600 1 31 LEU QD 1 52 PRO QD 7.480 . 7.480 3.964 3.706 4.166 . 0 0 "[ . 1 . 2]" 1
601 1 31 LEU QD 1 53 PRO HA 4.800 . 4.800 1.942 1.858 2.101 . 0 0 "[ . 1 . 2]" 1
602 1 31 LEU QD 1 53 PRO HB3 5.750 . 5.750 3.289 3.040 3.440 . 0 0 "[ . 1 . 2]" 1
603 1 31 LEU QD 1 53 PRO HB2 6.700 . 6.700 4.126 3.957 4.271 . 0 0 "[ . 1 . 2]" 1
604 1 31 LEU QD 1 53 PRO QD 7.180 . 7.180 3.307 3.175 3.443 . 0 0 "[ . 1 . 2]" 1
605 1 31 LEU QD 1 53 PRO QG 7.620 . 7.620 4.165 4.042 4.279 . 0 0 "[ . 1 . 2]" 1
606 1 31 LEU QD 1 54 ALA HA 7.540 . 7.540 4.849 4.697 4.909 . 0 0 "[ . 1 . 2]" 1
607 1 31 LEU QD 1 54 ALA MB 7.240 . 7.240 3.613 3.394 3.711 . 0 0 "[ . 1 . 2]" 1
608 1 31 LEU QD 1 54 ALA H 5.170 . 5.170 2.418 2.270 2.552 . 0 0 "[ . 1 . 2]" 1
609 1 31 LEU HG 1 51 PRO HB2 4.810 . 4.810 4.552 4.305 4.739 . 0 0 "[ . 1 . 2]" 1
610 1 31 LEU HG 1 53 PRO HA 4.700 . 4.700 4.043 3.804 4.248 . 0 0 "[ . 1 . 2]" 1
611 1 31 LEU H 1 31 LEU HB2 2.890 . 2.890 2.555 2.517 2.639 . 0 0 "[ . 1 . 2]" 1
612 1 31 LEU H 1 31 LEU HG 2.890 . 2.890 2.840 2.646 2.897 0.007 19 0 "[ . 1 . 2]" 1
613 1 31 LEU H 1 32 TYR H 4.580 . 4.580 4.517 4.502 4.523 . 0 0 "[ . 1 . 2]" 1
614 1 31 LEU H 1 51 PRO HB2 5.500 . 5.500 5.520 5.510 5.532 0.032 12 0 "[ . 1 . 2]" 1
615 1 32 TYR HA 1 33 HIS H 2.810 . 2.810 2.148 2.131 2.206 . 0 0 "[ . 1 . 2]" 1
616 1 32 TYR HA 1 34 PHE H 3.550 . 3.550 3.412 3.247 3.546 . 0 0 "[ . 1 . 2]" 1
617 1 32 TYR HA 1 36 THR HB 5.500 . 5.500 5.493 5.407 5.516 0.016 6 0 "[ . 1 . 2]" 1
618 1 32 TYR HA 1 46 TRP HA 5.500 . 5.500 5.364 5.216 5.504 0.004 9 0 "[ . 1 . 2]" 1
619 1 32 TYR HA 1 54 ALA MB 6.520 . 6.520 5.144 5.017 5.248 . 0 0 "[ . 1 . 2]" 1
620 1 32 TYR HB3 1 36 THR HB 4.360 . 4.360 2.980 2.842 3.069 . 0 0 "[ . 1 . 2]" 1
621 1 32 TYR HB3 1 36 THR MG 5.590 . 5.590 3.848 3.673 3.976 . 0 0 "[ . 1 . 2]" 1
622 1 32 TYR HB3 1 46 TRP HA 4.730 . 4.730 3.698 3.181 4.124 . 0 0 "[ . 1 . 2]" 1
623 1 32 TYR HB2 1 36 THR HB 4.360 . 4.360 3.282 3.043 3.564 . 0 0 "[ . 1 . 2]" 1
624 1 32 TYR HB2 1 36 THR MG 5.590 . 5.590 3.769 3.487 3.960 . 0 0 "[ . 1 . 2]" 1
625 1 32 TYR HB2 1 46 TRP HA 4.730 . 4.730 3.229 2.957 3.572 . 0 0 "[ . 1 . 2]" 1
626 1 32 TYR QB 1 33 HIS H 4.590 . 4.590 3.509 3.352 3.739 . 0 0 "[ . 1 . 2]" 1
627 1 32 TYR QB 1 34 PHE H 4.420 . 4.420 3.058 2.888 3.331 . 0 0 "[ . 1 . 2]" 1
628 1 32 TYR QB 1 36 THR MG 5.740 . 5.740 3.390 3.182 3.517 . 0 0 "[ . 1 . 2]" 1
629 1 32 TYR QB 1 45 LEU QD 8.070 . 8.070 3.025 2.662 3.712 . 0 0 "[ . 1 . 2]" 1
630 1 32 TYR H 1 32 TYR HB3 3.900 . 3.900 3.727 3.534 3.809 . 0 0 "[ . 1 . 2]" 1
631 1 32 TYR H 1 32 TYR HB2 3.900 . 3.900 2.632 2.517 2.701 . 0 0 "[ . 1 . 2]" 1
632 1 32 TYR H 1 33 HIS H 4.470 . 4.470 4.061 3.802 4.205 . 0 0 "[ . 1 . 2]" 1
633 1 32 TYR H 1 34 PHE H 5.500 . 5.500 5.352 5.106 5.511 0.011 16 0 "[ . 1 . 2]" 1
634 1 32 TYR H 1 46 TRP HA 4.420 . 4.420 4.256 3.952 4.423 0.003 9 0 "[ . 1 . 2]" 1
635 1 32 TYR H 1 47 HIS H 5.440 . 5.440 5.196 4.985 5.343 . 0 0 "[ . 1 . 2]" 1
636 1 32 TYR H 1 51 PRO HA 5.480 . 5.480 4.465 4.344 4.621 . 0 0 "[ . 1 . 2]" 1
637 1 32 TYR H 1 51 PRO HB3 3.810 . 3.810 3.287 3.146 3.484 . 0 0 "[ . 1 . 2]" 1
638 1 32 TYR H 1 51 PRO HB2 3.700 . 3.700 2.656 2.441 2.974 . 0 0 "[ . 1 . 2]" 1
639 1 32 TYR H 1 51 PRO QG 5.270 . 5.270 4.178 3.994 4.448 . 0 0 "[ . 1 . 2]" 1
640 1 32 TYR H 1 52 PRO QD 5.640 . 5.640 4.178 3.986 4.327 . 0 0 "[ . 1 . 2]" 1
641 1 32 TYR H 1 54 ALA MB 5.180 . 5.180 3.694 3.475 3.838 . 0 0 "[ . 1 . 2]" 1
642 1 32 TYR H 1 54 ALA H 5.500 . 5.500 4.512 4.251 4.661 . 0 0 "[ . 1 . 2]" 1
643 1 33 HIS HA 1 47 HIS H 4.010 . 4.010 3.238 3.004 3.546 . 0 0 "[ . 1 . 2]" 1
644 1 33 HIS HA 1 48 MET HA 4.020 . 4.020 3.765 3.471 3.996 . 0 0 "[ . 1 . 2]" 1
645 1 33 HIS HA 1 51 PRO HD3 5.500 . 5.500 4.529 4.186 4.753 . 0 0 "[ . 1 . 2]" 1
646 1 33 HIS HA 1 51 PRO QG 5.500 . 5.500 4.000 3.714 4.241 . 0 0 "[ . 1 . 2]" 1
647 1 33 HIS HA 1 52 PRO QD 6.390 . 6.390 5.458 5.197 5.607 . 0 0 "[ . 1 . 2]" 1
648 1 33 HIS HB3 1 34 PHE H 4.290 . 4.290 3.855 3.289 4.182 . 0 0 "[ . 1 . 2]" 1
649 1 33 HIS HB2 1 34 PHE H 4.290 . 4.290 3.401 3.157 3.824 . 0 0 "[ . 1 . 2]" 1
650 1 33 HIS QB 1 34 PHE H 4.320 . 4.320 3.159 3.037 3.326 . 0 0 "[ . 1 . 2]" 1
651 1 33 HIS QB 1 48 MET HA 5.290 . 5.290 3.984 3.359 4.621 . 0 0 "[ . 1 . 2]" 1
652 1 33 HIS H 1 33 HIS HB3 3.860 . 3.860 3.466 2.962 3.624 . 0 0 "[ . 1 . 2]" 1
653 1 33 HIS H 1 33 HIS HB2 3.860 . 3.860 2.287 2.130 2.534 . 0 0 "[ . 1 . 2]" 1
654 1 33 HIS H 1 34 PHE H 3.080 . 3.080 2.399 2.263 2.595 . 0 0 "[ . 1 . 2]" 1
655 1 34 PHE HA 1 35 PRO QB 5.800 . 5.800 4.852 4.748 4.891 . 0 0 "[ . 1 . 2]" 1
656 1 34 PHE HA 1 35 PRO HD3 3.640 . 3.640 2.162 2.053 2.587 . 0 0 "[ . 1 . 2]" 1
657 1 34 PHE HA 1 35 PRO HD2 3.640 . 3.640 3.069 2.400 3.246 . 0 0 "[ . 1 . 2]" 1
658 1 34 PHE HA 1 35 PRO HG3 4.770 . 4.770 4.164 4.028 4.668 . 0 0 "[ . 1 . 2]" 1
659 1 34 PHE HA 1 35 PRO HG2 4.770 . 4.770 4.687 4.543 4.752 . 0 0 "[ . 1 . 2]" 1
660 1 34 PHE HB3 1 35 PRO HD3 4.070 . 4.070 2.782 2.332 4.074 0.004 10 0 "[ . 1 . 2]" 1
661 1 34 PHE HB3 1 35 PRO HD2 4.070 . 4.070 2.337 1.982 3.251 . 0 0 "[ . 1 . 2]" 1
662 1 34 PHE HB3 1 35 PRO HG3 5.500 . 5.500 4.826 4.468 5.512 0.012 6 0 "[ . 1 . 2]" 1
663 1 34 PHE HB3 1 35 PRO HG2 5.500 . 5.500 4.506 4.189 5.391 . 0 0 "[ . 1 . 2]" 1
664 1 34 PHE HB2 1 35 PRO HD3 4.070 . 4.070 3.508 2.775 3.683 . 0 0 "[ . 1 . 2]" 1
665 1 34 PHE HB2 1 35 PRO HD2 4.070 . 4.070 2.729 1.941 3.084 . 0 0 "[ . 1 . 2]" 1
666 1 34 PHE HB2 1 35 PRO HG3 5.500 . 5.500 5.222 4.398 5.534 0.034 16 0 "[ . 1 . 2]" 1
667 1 34 PHE HB2 1 35 PRO HG2 5.500 . 5.500 4.882 3.348 5.365 . 0 0 "[ . 1 . 2]" 1
668 1 34 PHE QB 1 35 PRO QD 4.880 . 4.880 1.915 1.863 2.002 . 0 0 "[ . 1 . 2]" 1
669 1 34 PHE QB 1 35 PRO QG 5.730 . 5.730 3.673 3.179 3.823 . 0 0 "[ . 1 . 2]" 1
670 1 34 PHE H 1 35 PRO QD 5.730 . 5.730 4.381 4.373 4.394 . 0 0 "[ . 1 . 2]" 1
671 1 34 PHE H 1 36 THR HB 5.500 . 5.500 5.394 5.147 5.504 0.004 8 0 "[ . 1 . 2]" 1
672 1 34 PHE H 1 46 TRP HA 5.500 . 5.500 5.212 5.045 5.390 . 0 0 "[ . 1 . 2]" 1
673 1 34 PHE H 1 46 TRP HB2 4.330 . 4.330 4.342 4.338 4.349 0.019 6 0 "[ . 1 . 2]" 1
674 1 34 PHE H 1 47 HIS H 5.140 . 5.140 4.811 4.643 4.968 . 0 0 "[ . 1 . 2]" 1
675 1 35 PRO HA 1 36 THR HA 4.570 . 4.570 4.405 4.392 4.423 . 0 0 "[ . 1 . 2]" 1
676 1 35 PRO HA 1 36 THR H 2.990 . 2.990 2.204 2.155 2.257 . 0 0 "[ . 1 . 2]" 1
677 1 35 PRO HA 1 46 TRP HE1 4.560 . 4.560 3.939 3.537 4.549 . 0 0 "[ . 1 . 2]" 1
678 1 35 PRO QB 1 36 THR HA 5.630 . 5.630 4.243 4.200 4.315 . 0 0 "[ . 1 . 2]" 1
679 1 35 PRO QB 1 36 THR H 4.920 . 4.920 3.660 3.544 3.752 . 0 0 "[ . 1 . 2]" 1
680 1 35 PRO QB 1 37 ASN H 6.380 . 6.380 5.350 5.115 5.645 . 0 0 "[ . 1 . 2]" 1
681 1 35 PRO QB 1 46 TRP HE1 5.710 . 5.710 4.004 3.582 4.707 . 0 0 "[ . 1 . 2]" 1
682 1 35 PRO QD 1 36 THR H 5.750 . 5.750 4.775 4.703 4.851 . 0 0 "[ . 1 . 2]" 1
683 1 35 PRO QG 1 36 THR H 5.920 . 5.920 4.872 4.829 4.910 . 0 0 "[ . 1 . 2]" 1
684 1 36 THR HA 1 37 ASN HA 4.460 . 4.460 4.369 4.361 4.377 . 0 0 "[ . 1 . 2]" 1
685 1 36 THR HA 1 37 ASN QB 6.220 . 6.220 4.395 4.131 4.536 . 0 0 "[ . 1 . 2]" 1
686 1 36 THR HA 1 37 ASN H 2.680 . 2.680 2.178 2.142 2.235 . 0 0 "[ . 1 . 2]" 1
687 1 36 THR HA 1 45 LEU QB 6.220 . 6.220 4.570 4.421 4.704 . 0 0 "[ . 1 . 2]" 1
688 1 36 THR HA 1 46 TRP HB3 5.210 . 5.210 4.689 4.560 4.776 . 0 0 "[ . 1 . 2]" 1
689 1 36 THR HA 1 63 LYS QD 5.550 . 5.550 4.133 3.505 4.618 . 0 0 "[ . 1 . 2]" 1
690 1 36 THR HA 1 63 LYS QE 6.080 . 6.080 4.823 3.819 5.457 . 0 0 "[ . 1 . 2]" 1
691 1 36 THR HB 1 37 ASN H 4.720 . 4.720 4.298 4.109 4.439 . 0 0 "[ . 1 . 2]" 1
692 1 36 THR HB 1 45 LEU HB3 5.440 . 5.440 3.217 2.885 3.486 . 0 0 "[ . 1 . 2]" 1
693 1 36 THR HB 1 45 LEU HB2 5.440 . 5.440 4.904 4.568 5.082 . 0 0 "[ . 1 . 2]" 1
694 1 36 THR HB 1 45 LEU QB 5.530 . 5.530 3.176 2.856 3.429 . 0 0 "[ . 1 . 2]" 1
695 1 36 THR HB 1 45 LEU MD1 6.270 . 6.270 4.514 3.745 5.056 . 0 0 "[ . 1 . 2]" 1
696 1 36 THR HB 1 45 LEU MD2 6.270 . 6.270 2.974 2.341 4.012 . 0 0 "[ . 1 . 2]" 1
697 1 36 THR HB 1 45 LEU QD 6.530 . 6.530 2.893 2.335 3.751 . 0 0 "[ . 1 . 2]" 1
698 1 36 THR HB 1 46 TRP HA 4.710 . 4.710 3.934 3.792 4.019 . 0 0 "[ . 1 . 2]" 1
699 1 36 THR HB 1 46 TRP HB3 3.820 . 3.820 3.015 2.814 3.165 . 0 0 "[ . 1 . 2]" 1
700 1 36 THR HB 1 46 TRP HB2 4.740 . 4.740 4.605 4.460 4.743 0.003 12 0 "[ . 1 . 2]" 1
701 1 36 THR HB 1 54 ALA MB 6.520 . 6.520 4.815 4.559 4.985 . 0 0 "[ . 1 . 2]" 1
702 1 36 THR MG 1 37 ASN HA 5.330 . 5.330 3.825 3.650 3.953 . 0 0 "[ . 1 . 2]" 1
703 1 36 THR MG 1 37 ASN H 4.170 . 4.170 2.577 2.161 2.900 . 0 0 "[ . 1 . 2]" 1
704 1 36 THR MG 1 38 CYS HA 5.510 . 5.510 3.755 3.499 4.079 . 0 0 "[ . 1 . 2]" 1
705 1 36 THR MG 1 45 LEU HA 6.180 . 6.180 4.833 4.381 5.007 . 0 0 "[ . 1 . 2]" 1
706 1 36 THR MG 1 45 LEU HB3 5.200 . 5.200 2.301 1.957 2.679 . 0 0 "[ . 1 . 2]" 1
707 1 36 THR MG 1 45 LEU HB2 5.200 . 5.200 3.688 3.403 3.959 . 0 0 "[ . 1 . 2]" 1
708 1 36 THR MG 1 45 LEU QB 5.550 . 5.550 2.278 1.946 2.638 . 0 0 "[ . 1 . 2]" 1
709 1 36 THR MG 1 45 LEU MD1 6.320 . 6.320 3.249 2.315 4.086 . 0 0 "[ . 1 . 2]" 1
710 1 36 THR MG 1 45 LEU MD2 6.320 . 6.320 2.275 1.792 3.044 0.008 1 0 "[ . 1 . 2]" 1
711 1 36 THR MG 1 45 LEU QD 6.060 . 6.060 2.154 1.790 2.387 0.010 1 0 "[ . 1 . 2]" 1
712 1 36 THR MG 1 45 LEU HG 5.570 . 5.570 3.832 2.107 4.474 . 0 0 "[ . 1 . 2]" 1
713 1 36 THR MG 1 46 TRP HA 6.220 . 6.220 4.984 4.720 5.127 . 0 0 "[ . 1 . 2]" 1
714 1 36 THR MG 1 46 TRP HB3 5.640 . 5.640 4.492 4.262 4.603 . 0 0 "[ . 1 . 2]" 1
715 1 36 THR MG 1 54 ALA MB 6.090 . 6.090 3.738 3.585 3.999 . 0 0 "[ . 1 . 2]" 1
716 1 36 THR MG 1 63 LYS HA 5.570 . 5.570 4.340 4.188 4.505 . 0 0 "[ . 1 . 2]" 1
717 1 36 THR MG 1 63 LYS QB 5.340 . 5.340 2.050 1.898 2.157 . 0 0 "[ . 1 . 2]" 1
718 1 36 THR MG 1 63 LYS QD 4.970 . 4.970 1.861 1.721 2.043 0.079 4 0 "[ . 1 . 2]" 1
719 1 36 THR MG 1 63 LYS QE 5.370 . 5.370 2.753 1.954 3.503 . 0 0 "[ . 1 . 2]" 1
720 1 36 THR MG 1 63 LYS HG3 5.150 . 5.150 3.347 3.231 3.867 . 0 0 "[ . 1 . 2]" 1
721 1 36 THR MG 1 63 LYS HG2 4.900 . 4.900 2.012 1.855 3.054 . 0 0 "[ . 1 . 2]" 1
722 1 36 THR H 1 36 THR HB 3.440 . 3.440 2.475 2.380 2.544 . 0 0 "[ . 1 . 2]" 1
723 1 36 THR H 1 37 ASN H 4.800 . 4.800 4.380 4.291 4.450 . 0 0 "[ . 1 . 2]" 1
724 1 36 THR H 1 45 LEU QB 5.830 . 5.830 4.020 3.844 4.125 . 0 0 "[ . 1 . 2]" 1
725 1 36 THR H 1 46 TRP HA 4.700 . 4.700 4.108 4.035 4.168 . 0 0 "[ . 1 . 2]" 1
726 1 36 THR H 1 46 TRP HB3 3.710 . 3.710 1.932 1.879 1.981 . 0 0 "[ . 1 . 2]" 1
727 1 36 THR H 1 46 TRP HB2 4.010 . 4.010 3.510 3.442 3.574 . 0 0 "[ . 1 . 2]" 1
728 1 36 THR H 1 46 TRP H 5.400 . 5.400 4.794 4.683 4.900 . 0 0 "[ . 1 . 2]" 1
729 1 37 ASN HA 1 37 ASN HD22 5.400 . 5.400 4.410 3.589 5.383 . 0 0 "[ . 1 . 2]" 1
730 1 37 ASN HA 1 38 CYS HA 4.730 . 4.730 4.381 4.345 4.412 . 0 0 "[ . 1 . 2]" 1
731 1 37 ASN HA 1 44 PRO HA 3.470 . 3.470 3.047 2.681 3.444 . 0 0 "[ . 1 . 2]" 1
732 1 37 ASN HA 1 44 PRO HB2 5.500 . 5.500 5.094 4.520 5.507 0.007 1 0 "[ . 1 . 2]" 1
733 1 37 ASN HA 1 45 LEU QB 5.330 . 5.330 3.333 2.994 3.641 . 0 0 "[ . 1 . 2]" 1
734 1 37 ASN HA 1 45 LEU QD 7.140 . 7.140 4.516 4.291 4.768 . 0 0 "[ . 1 . 2]" 1
735 1 37 ASN QB 1 38 CYS HA 6.030 . 6.030 4.571 4.290 4.853 . 0 0 "[ . 1 . 2]" 1
736 1 37 ASN QB 1 44 PRO HA 6.170 . 6.170 4.462 3.957 4.897 . 0 0 "[ . 1 . 2]" 1
737 1 37 ASN H 1 37 ASN HB3 3.940 . 3.940 3.508 2.782 3.715 . 0 0 "[ . 1 . 2]" 1
738 1 37 ASN H 1 37 ASN HB2 3.940 . 3.940 2.666 2.218 3.666 . 0 0 "[ . 1 . 2]" 1
739 1 37 ASN H 1 37 ASN HD21 4.730 . 4.730 3.274 2.153 4.733 0.003 18 0 "[ . 1 . 2]" 1
740 1 37 ASN H 1 37 ASN HD22 4.730 . 4.730 4.056 3.048 4.704 . 0 0 "[ . 1 . 2]" 1
741 1 37 ASN H 1 37 ASN QD 4.930 . 4.930 3.086 2.124 4.204 . 0 0 "[ . 1 . 2]" 1
742 1 37 ASN H 1 63 LYS QD 6.380 . 6.380 3.789 3.306 4.534 . 0 0 "[ . 1 . 2]" 1
743 1 38 CYS HA 1 45 LEU QB 4.940 . 4.940 3.394 3.295 3.535 . 0 0 "[ . 1 . 2]" 1
744 1 38 CYS HA 1 45 LEU QD 5.520 . 5.520 2.800 2.294 2.942 . 0 0 "[ . 1 . 2]" 1
745 1 38 CYS HA 1 45 LEU HG 5.500 . 5.500 5.402 4.647 5.537 0.037 1 0 "[ . 1 . 2]" 1
746 1 38 CYS HA 1 63 LYS QB 5.550 . 5.550 3.218 2.821 3.557 . 0 0 "[ . 1 . 2]" 1
747 1 38 CYS HA 1 64 CYS HA 3.310 . 3.310 3.238 2.967 3.331 0.021 14 0 "[ . 1 . 2]" 1
748 1 38 CYS HA 1 64 CYS HB3 5.500 . 5.500 5.086 4.090 5.514 0.014 20 0 "[ . 1 . 2]" 1
749 1 38 CYS HA 1 64 CYS HB2 5.500 . 5.500 5.470 5.154 5.551 0.051 9 0 "[ . 1 . 2]" 1
750 1 38 CYS HA 1 64 CYS QB 5.600 . 5.600 4.651 3.959 4.919 . 0 0 "[ . 1 . 2]" 1
751 1 38 CYS HA 1 64 CYS H 5.020 . 5.020 4.783 4.532 4.984 . 0 0 "[ . 1 . 2]" 1
752 1 38 CYS HA 1 65 HIS H 5.450 . 5.450 4.718 4.467 4.888 . 0 0 "[ . 1 . 2]" 1
753 1 38 CYS HB3 1 45 LEU HA 5.120 . 5.120 4.753 4.376 5.123 0.003 14 0 "[ . 1 . 2]" 1
754 1 38 CYS HB3 1 45 LEU MD1 5.730 . 5.730 3.426 2.756 4.664 . 0 0 "[ . 1 . 2]" 1
755 1 38 CYS HB3 1 45 LEU MD2 5.730 . 5.730 4.545 3.843 4.863 . 0 0 "[ . 1 . 2]" 1
756 1 38 CYS HB3 1 64 CYS HA 4.300 . 4.300 4.140 3.978 4.316 0.016 2 0 "[ . 1 . 2]" 1
757 1 38 CYS HB3 1 65 HIS H 5.150 . 5.150 4.434 4.223 4.822 . 0 0 "[ . 1 . 2]" 1
758 1 38 CYS HB2 1 45 LEU HA 5.120 . 5.120 5.041 4.753 5.160 0.040 11 0 "[ . 1 . 2]" 1
759 1 38 CYS HB2 1 45 LEU MD1 5.730 . 5.730 2.478 1.865 3.763 . 0 0 "[ . 1 . 2]" 1
760 1 38 CYS HB2 1 45 LEU MD2 5.730 . 5.730 3.798 2.515 4.633 . 0 0 "[ . 1 . 2]" 1
761 1 38 CYS HB2 1 64 CYS HA 4.300 . 4.300 2.429 2.233 2.702 . 0 0 "[ . 1 . 2]" 1
762 1 38 CYS HB2 1 65 HIS H 5.150 . 5.150 2.997 2.769 3.277 . 0 0 "[ . 1 . 2]" 1
763 1 38 CYS QB 1 45 LEU QB 5.490 . 5.490 2.295 2.082 2.468 . 0 0 "[ . 1 . 2]" 1
764 1 38 CYS QB 1 45 LEU QD 6.460 . 6.460 2.091 1.838 2.484 . 0 0 "[ . 1 . 2]" 1
765 1 38 CYS QB 1 64 CYS HA 4.650 . 4.650 2.413 2.221 2.675 . 0 0 "[ . 1 . 2]" 1
766 1 38 CYS QB 1 65 HIS H 5.220 . 5.220 2.952 2.735 3.226 . 0 0 "[ . 1 . 2]" 1
767 1 39 GLU HA 1 39 GLU HG3 3.630 . 3.630 3.397 2.368 3.591 . 0 0 "[ . 1 . 2]" 1
768 1 39 GLU HA 1 39 GLU HG2 3.630 . 3.630 2.597 2.272 3.614 . 0 0 "[ . 1 . 2]" 1
769 1 39 GLU HA 1 40 ALA HA 5.010 . 5.010 4.814 4.755 4.851 . 0 0 "[ . 1 . 2]" 1
770 1 39 GLU HA 1 40 ALA MB 6.170 . 6.170 4.989 4.981 5.001 . 0 0 "[ . 1 . 2]" 1
771 1 39 GLU HA 1 62 ILE HB 5.050 . 5.050 4.740 4.461 4.952 . 0 0 "[ . 1 . 2]" 1
772 1 39 GLU HA 1 62 ILE MD 6.220 . 6.220 4.878 4.605 5.044 . 0 0 "[ . 1 . 2]" 1
773 1 39 GLU HA 1 62 ILE MG 6.070 . 6.070 4.878 4.670 4.942 . 0 0 "[ . 1 . 2]" 1
774 1 39 GLU HB3 1 40 ALA HA 4.220 . 4.220 3.929 3.831 4.071 . 0 0 "[ . 1 . 2]" 1
775 1 39 GLU HB3 1 40 ALA MB 5.720 . 5.720 4.343 4.131 4.579 . 0 0 "[ . 1 . 2]" 1
776 1 39 GLU HB3 1 62 ILE MD 5.150 . 5.150 2.970 2.578 3.295 . 0 0 "[ . 1 . 2]" 1
777 1 39 GLU HB3 1 62 ILE MG 5.670 . 5.670 4.107 3.889 4.265 . 0 0 "[ . 1 . 2]" 1
778 1 39 GLU HB2 1 40 ALA HA 5.270 . 5.270 5.048 4.692 5.273 0.003 15 0 "[ . 1 . 2]" 1
779 1 39 GLU HB2 1 62 ILE HA 4.840 . 4.840 4.627 4.085 4.853 0.013 2 0 "[ . 1 . 2]" 1
780 1 39 GLU HB2 1 62 ILE HB 4.590 . 4.590 2.523 2.253 2.700 . 0 0 "[ . 1 . 2]" 1
781 1 39 GLU HB2 1 62 ILE MD 5.000 . 5.000 2.500 2.209 2.789 . 0 0 "[ . 1 . 2]" 1
782 1 39 GLU HB2 1 62 ILE MG 5.480 . 5.480 3.675 3.418 3.842 . 0 0 "[ . 1 . 2]" 1
783 1 39 GLU HG3 1 62 ILE HA 5.060 . 5.060 4.447 4.060 5.070 0.010 6 0 "[ . 1 . 2]" 1
784 1 39 GLU HG3 1 62 ILE HB 4.650 . 4.650 2.536 2.032 3.674 . 0 0 "[ . 1 . 2]" 1
785 1 39 GLU HG3 1 62 ILE MD 5.210 . 5.210 2.871 2.261 4.187 . 0 0 "[ . 1 . 2]" 1
786 1 39 GLU HG3 1 62 ILE MG 5.430 . 5.430 2.286 1.954 3.214 . 0 0 "[ . 1 . 2]" 1
787 1 39 GLU HG2 1 62 ILE HA 5.060 . 5.060 4.268 3.721 5.066 0.006 2 0 "[ . 1 . 2]" 1
788 1 39 GLU HG2 1 62 ILE HB 4.650 . 4.650 2.829 1.996 3.593 . 0 0 "[ . 1 . 2]" 1
789 1 39 GLU HG2 1 62 ILE MD 5.210 . 5.210 3.682 2.685 4.117 . 0 0 "[ . 1 . 2]" 1
790 1 39 GLU HG2 1 62 ILE MG 5.430 . 5.430 2.759 1.897 3.172 . 0 0 "[ . 1 . 2]" 1
791 1 39 GLU QG 1 62 ILE HA 5.310 . 5.310 3.844 3.446 4.399 . 0 0 "[ . 1 . 2]" 1
792 1 39 GLU QG 1 62 ILE HB 4.920 . 4.920 2.225 1.960 2.755 . 0 0 "[ . 1 . 2]" 1
793 1 39 GLU QG 1 62 ILE QG 6.620 . 6.620 3.640 3.422 3.969 . 0 0 "[ . 1 . 2]" 1
794 1 39 GLU QG 1 62 ILE MG 5.550 . 5.550 2.063 1.881 2.263 . 0 0 "[ . 1 . 2]" 1
795 1 40 ALA HA 1 41 CYS HA 4.850 . 4.850 4.560 4.547 4.566 . 0 0 "[ . 1 . 2]" 1
796 1 40 ALA HA 1 75 ILE MD 5.430 . 5.430 3.790 3.657 4.055 . 0 0 "[ . 1 . 2]" 1
797 1 40 ALA HA 1 75 ILE HG13 4.670 . 4.670 3.162 2.906 3.441 . 0 0 "[ . 1 . 2]" 1
798 1 40 ALA HA 1 75 ILE MG 6.220 . 6.220 4.979 4.811 5.141 . 0 0 "[ . 1 . 2]" 1
799 1 40 ALA HA 1 76 ILE HA 4.520 . 4.520 3.194 3.015 3.456 . 0 0 "[ . 1 . 2]" 1
800 1 40 ALA HA 1 76 ILE MD 6.520 . 6.520 5.222 4.971 5.470 . 0 0 "[ . 1 . 2]" 1
801 1 40 ALA HA 1 76 ILE MG 6.520 . 6.520 4.554 4.292 4.847 . 0 0 "[ . 1 . 2]" 1
802 1 40 ALA MB 1 41 CYS HA 5.170 . 5.170 3.749 3.729 3.800 . 0 0 "[ . 1 . 2]" 1
803 1 40 ALA MB 1 41 CYS QB 6.760 . 6.760 3.258 3.231 3.326 . 0 0 "[ . 1 . 2]" 1
804 1 40 ALA MB 1 64 CYS HA 5.320 . 5.320 4.088 3.976 4.152 . 0 0 "[ . 1 . 2]" 1
805 1 40 ALA MB 1 64 CYS QB 5.430 . 5.430 3.108 2.668 3.439 . 0 0 "[ . 1 . 2]" 1
806 1 40 ALA MB 1 68 HIS HB3 5.910 . 5.910 3.437 3.182 3.769 . 0 0 "[ . 1 . 2]" 1
807 1 40 ALA MB 1 68 HIS HB2 5.920 . 5.920 3.844 3.601 4.131 . 0 0 "[ . 1 . 2]" 1
808 1 40 ALA MB 1 73 GLU QB 6.850 . 6.850 3.889 3.752 4.089 . 0 0 "[ . 1 . 2]" 1
809 1 40 ALA MB 1 75 ILE HA 6.040 . 6.040 4.883 4.708 4.917 . 0 0 "[ . 1 . 2]" 1
810 1 40 ALA MB 1 75 ILE HB 4.900 . 4.900 3.275 3.061 3.376 . 0 0 "[ . 1 . 2]" 1
811 1 40 ALA MB 1 75 ILE MD 5.120 . 5.120 1.874 1.829 1.921 . 0 0 "[ . 1 . 2]" 1
812 1 40 ALA MB 1 75 ILE HG13 4.660 . 4.660 1.957 1.859 2.088 . 0 0 "[ . 1 . 2]" 1
813 1 40 ALA MB 1 75 ILE HG12 4.800 . 4.800 3.255 3.109 3.411 . 0 0 "[ . 1 . 2]" 1
814 1 40 ALA MB 1 76 ILE HA 4.590 . 4.590 3.006 2.609 3.230 . 0 0 "[ . 1 . 2]" 1
815 1 40 ALA MB 1 76 ILE HB 5.990 . 5.990 4.487 4.280 4.720 . 0 0 "[ . 1 . 2]" 1
816 1 40 ALA MB 1 76 ILE MD 5.570 . 5.570 3.295 3.114 3.454 . 0 0 "[ . 1 . 2]" 1
817 1 40 ALA MB 1 76 ILE HG13 4.870 . 4.870 2.682 2.279 3.091 . 0 0 "[ . 1 . 2]" 1
818 1 41 CYS HA 1 42 MET QB 6.110 . 6.110 4.629 4.279 4.832 . 0 0 "[ . 1 . 2]" 1
819 1 41 CYS HA 1 42 MET ME 6.220 . 6.220 4.255 3.112 5.008 . 0 0 "[ . 1 . 2]" 1
820 1 41 CYS HA 1 42 MET QG 5.170 . 5.170 3.725 3.288 4.471 . 0 0 "[ . 1 . 2]" 1
821 1 41 CYS HA 1 75 ILE MD 4.640 . 4.640 3.216 2.972 3.479 . 0 0 "[ . 1 . 2]" 1
822 1 41 CYS HA 1 75 ILE MG 5.620 . 5.620 4.029 3.756 4.222 . 0 0 "[ . 1 . 2]" 1
823 1 41 CYS HB3 1 75 ILE MD 5.040 . 5.040 2.425 2.189 2.624 . 0 0 "[ . 1 . 2]" 1
824 1 41 CYS HB2 1 75 ILE MD 5.040 . 5.040 3.774 3.603 3.987 . 0 0 "[ . 1 . 2]" 1
825 1 42 MET HA 1 42 MET ME 5.590 . 5.590 3.570 1.944 4.536 . 0 0 "[ . 1 . 2]" 1
826 1 42 MET HA 1 42 MET HG3 3.810 . 3.810 3.411 2.346 3.814 0.004 11 0 "[ . 1 . 2]" 1
827 1 42 MET HA 1 42 MET HG2 3.810 . 3.810 2.890 2.315 3.755 . 0 0 "[ . 1 . 2]" 1
828 1 43 LYS HA 1 43 LYS QD 4.600 . 4.600 3.190 2.380 3.709 . 0 0 "[ . 1 . 2]" 1
829 1 43 LYS HA 1 43 LYS QE 5.290 . 5.290 4.078 1.988 4.674 . 0 0 "[ . 1 . 2]" 1
830 1 43 LYS HA 1 43 LYS HG3 3.960 . 3.960 2.819 2.087 3.521 . 0 0 "[ . 1 . 2]" 1
831 1 43 LYS HA 1 43 LYS HG2 3.960 . 3.960 2.661 2.024 3.589 . 0 0 "[ . 1 . 2]" 1
832 1 43 LYS HA 1 44 PRO HB3 4.870 . 4.870 4.865 4.814 4.880 0.010 2 0 "[ . 1 . 2]" 1
833 1 43 LYS HA 1 44 PRO HD3 3.560 . 3.560 2.337 2.293 2.391 . 0 0 "[ . 1 . 2]" 1
834 1 43 LYS HA 1 44 PRO HD2 3.430 . 3.430 2.459 2.346 2.567 . 0 0 "[ . 1 . 2]" 1
835 1 43 LYS HA 1 44 PRO HG3 4.630 . 4.630 4.517 4.466 4.584 . 0 0 "[ . 1 . 2]" 1
836 1 43 LYS HA 1 44 PRO HG2 4.630 . 4.630 4.564 4.477 4.635 0.005 2 0 "[ . 1 . 2]" 1
837 1 43 LYS QB 1 44 PRO HD3 5.170 . 5.170 3.753 3.341 4.017 . 0 0 "[ . 1 . 2]" 1
838 1 43 LYS QB 1 44 PRO HD2 4.750 . 4.750 2.572 1.969 2.996 . 0 0 "[ . 1 . 2]" 1
839 1 43 LYS QD 1 44 PRO HD3 5.060 . 5.060 4.055 3.363 4.565 . 0 0 "[ . 1 . 2]" 1
840 1 43 LYS QD 1 44 PRO HD2 5.000 . 5.000 2.941 1.927 4.104 . 0 0 "[ . 1 . 2]" 1
841 1 43 LYS QD 1 44 PRO QG 7.120 . 7.120 4.151 2.909 5.499 . 0 0 "[ . 1 . 2]" 1
842 1 43 LYS HG3 1 44 PRO HD2 4.440 . 4.440 3.094 1.985 4.275 . 0 0 "[ . 1 . 2]" 1
843 1 43 LYS HG2 1 44 PRO HD2 4.440 . 4.440 2.684 1.964 3.503 . 0 0 "[ . 1 . 2]" 1
844 1 43 LYS QG 1 44 PRO HD3 5.170 . 5.170 3.098 2.718 3.894 . 0 0 "[ . 1 . 2]" 1
845 1 43 LYS QG 1 44 PRO HD2 4.750 . 4.750 2.214 1.933 3.306 . 0 0 "[ . 1 . 2]" 1
846 1 43 LYS QG 1 44 PRO QG 6.290 . 6.290 3.912 3.526 4.848 . 0 0 "[ . 1 . 2]" 1
847 1 44 PRO HA 1 46 TRP HE1 5.500 . 5.500 4.130 3.343 5.006 . 0 0 "[ . 1 . 2]" 1
848 1 44 PRO HB3 1 46 TRP HE1 4.550 . 4.550 2.696 2.353 3.344 . 0 0 "[ . 1 . 2]" 1
849 1 44 PRO HB2 1 46 TRP HE1 4.370 . 4.370 2.052 1.973 2.337 . 0 0 "[ . 1 . 2]" 1
850 1 44 PRO HB2 1 46 TRP H 4.890 . 4.890 4.417 4.250 4.623 . 0 0 "[ . 1 . 2]" 1
851 1 44 PRO QG 1 46 TRP HE1 5.990 . 5.990 3.277 2.590 3.858 . 0 0 "[ . 1 . 2]" 1
852 1 45 LEU HA 1 45 LEU HG 4.170 . 4.170 2.684 2.332 3.315 . 0 0 "[ . 1 . 2]" 1
853 1 45 LEU HA 1 46 TRP H 3.260 . 3.260 2.185 2.168 2.217 . 0 0 "[ . 1 . 2]" 1
854 1 45 LEU HA 1 52 PRO QD 6.360 . 6.360 5.335 5.119 5.485 . 0 0 "[ . 1 . 2]" 1
855 1 45 LEU HA 1 52 PRO HG3 5.070 . 5.070 4.864 4.430 5.050 . 0 0 "[ . 1 . 2]" 1
856 1 45 LEU HA 1 52 PRO HG2 4.820 . 4.820 4.712 4.491 4.827 0.007 20 0 "[ . 1 . 2]" 1
857 1 45 LEU HB3 1 46 TRP H 4.810 . 4.810 4.363 4.235 4.471 . 0 0 "[ . 1 . 2]" 1
858 1 45 LEU HB3 1 64 CYS HA 5.430 . 5.430 5.266 5.017 5.457 0.027 1 0 "[ . 1 . 2]" 1
859 1 45 LEU HB2 1 46 TRP H 4.810 . 4.810 4.513 4.418 4.640 . 0 0 "[ . 1 . 2]" 1
860 1 45 LEU HB2 1 64 CYS HA 5.430 . 5.430 4.550 4.368 4.787 . 0 0 "[ . 1 . 2]" 1
861 1 45 LEU QB 1 46 TRP H 5.070 . 5.070 3.947 3.913 3.977 . 0 0 "[ . 1 . 2]" 1
862 1 45 LEU QB 1 54 ALA MB 6.450 . 6.450 4.167 3.905 4.312 . 0 0 "[ . 1 . 2]" 1
863 1 45 LEU QB 1 64 CYS HA 5.600 . 5.600 4.291 4.112 4.489 . 0 0 "[ . 1 . 2]" 1
864 1 45 LEU MD1 1 46 TRP H 6.350 . 6.350 4.277 2.637 5.133 . 0 0 "[ . 1 . 2]" 1
865 1 45 LEU MD1 1 54 ALA HA 4.970 . 4.970 3.202 3.033 3.561 . 0 0 "[ . 1 . 2]" 1
866 1 45 LEU MD1 1 54 ALA MB 4.930 . 4.930 2.198 1.914 2.666 . 0 0 "[ . 1 . 2]" 1
867 1 45 LEU MD1 1 54 ALA H 6.380 . 6.380 4.900 4.338 5.185 . 0 0 "[ . 1 . 2]" 1
868 1 45 LEU MD1 1 55 LEU H 5.430 . 5.430 3.691 3.216 4.387 . 0 0 "[ . 1 . 2]" 1
869 1 45 LEU MD1 1 63 LYS QB 6.390 . 6.390 3.046 1.976 3.883 . 0 0 "[ . 1 . 2]" 1
870 1 45 LEU MD1 1 63 LYS HG2 6.520 . 6.520 4.921 3.698 5.439 . 0 0 "[ . 1 . 2]" 1
871 1 45 LEU MD1 1 64 CYS H 5.840 . 5.840 3.568 2.725 4.624 . 0 0 "[ . 1 . 2]" 1
872 1 45 LEU MD1 1 65 HIS HA 5.420 . 5.420 2.666 2.245 3.161 . 0 0 "[ . 1 . 2]" 1
873 1 45 LEU MD1 1 65 HIS H 5.750 . 5.750 2.142 1.799 2.870 0.001 17 0 "[ . 1 . 2]" 1
874 1 45 LEU MD1 1 66 LYS H 6.520 . 6.520 4.485 4.157 4.952 . 0 0 "[ . 1 . 2]" 1
875 1 45 LEU MD2 1 46 TRP H 6.350 . 6.350 3.846 2.556 5.057 . 0 0 "[ . 1 . 2]" 1
876 1 45 LEU MD2 1 54 ALA HA 4.970 . 4.970 3.553 3.150 3.680 . 0 0 "[ . 1 . 2]" 1
877 1 45 LEU MD2 1 54 ALA MB 4.930 . 4.930 1.846 1.737 2.125 0.063 15 0 "[ . 1 . 2]" 1
878 1 45 LEU MD2 1 54 ALA H 6.380 . 6.380 4.498 3.989 5.125 . 0 0 "[ . 1 . 2]" 1
879 1 45 LEU MD2 1 55 LEU H 5.430 . 5.430 3.992 3.445 4.362 . 0 0 "[ . 1 . 2]" 1
880 1 45 LEU MD2 1 63 LYS QB 6.390 . 6.390 2.551 1.683 3.610 0.117 14 0 "[ . 1 . 2]" 1
881 1 45 LEU MD2 1 63 LYS HG2 6.520 . 6.520 3.944 3.128 4.970 . 0 0 "[ . 1 . 2]" 1
882 1 45 LEU MD2 1 64 CYS H 5.840 . 5.840 3.819 2.867 4.682 . 0 0 "[ . 1 . 2]" 1
883 1 45 LEU MD2 1 65 HIS HA 5.420 . 5.420 3.672 3.002 3.852 . 0 0 "[ . 1 . 2]" 1
884 1 45 LEU MD2 1 65 HIS H 5.750 . 5.750 3.535 2.356 4.178 . 0 0 "[ . 1 . 2]" 1
885 1 45 LEU MD2 1 66 LYS H 6.520 . 6.520 5.230 4.622 5.324 . 0 0 "[ . 1 . 2]" 1
886 1 45 LEU QD 1 46 TRP H 6.180 . 6.180 3.107 2.549 3.900 . 0 0 "[ . 1 . 2]" 1
887 1 45 LEU QD 1 52 PRO QB 7.050 . 7.050 4.099 3.806 4.307 . 0 0 "[ . 1 . 2]" 1
888 1 45 LEU QD 1 52 PRO QD 7.470 . 7.470 3.908 3.666 4.727 . 0 0 "[ . 1 . 2]" 1
889 1 45 LEU QD 1 52 PRO HG3 6.140 . 6.140 4.015 3.571 4.502 . 0 0 "[ . 1 . 2]" 1
890 1 45 LEU QD 1 52 PRO HG2 5.750 . 5.750 3.004 2.663 3.747 . 0 0 "[ . 1 . 2]" 1
891 1 45 LEU QD 1 54 ALA HA 5.180 . 5.180 2.969 2.861 3.115 . 0 0 "[ . 1 . 2]" 1
892 1 45 LEU QD 1 54 ALA H 6.530 . 6.530 4.073 3.865 4.256 . 0 0 "[ . 1 . 2]" 1
893 1 45 LEU QD 1 55 LEU H 5.860 . 5.860 3.304 3.124 3.481 . 0 0 "[ . 1 . 2]" 1
894 1 45 LEU QD 1 63 LYS HA 6.630 . 6.630 3.828 3.505 4.258 . 0 0 "[ . 1 . 2]" 1
895 1 45 LEU QD 1 63 LYS QB 6.530 . 6.530 2.155 1.681 2.646 0.119 14 0 "[ . 1 . 2]" 1
896 1 45 LEU QD 1 63 LYS QD 7.060 . 7.060 3.803 3.505 4.192 . 0 0 "[ . 1 . 2]" 1
897 1 45 LEU QD 1 63 LYS HG3 6.790 . 6.790 4.374 3.915 4.899 . 0 0 "[ . 1 . 2]" 1
898 1 45 LEU QD 1 63 LYS HG2 6.290 . 6.290 3.674 3.108 4.111 . 0 0 "[ . 1 . 2]" 1
899 1 45 LEU QD 1 64 CYS HA 6.370 . 6.370 2.327 2.102 2.515 . 0 0 "[ . 1 . 2]" 1
900 1 45 LEU QD 1 64 CYS QB 7.490 . 7.490 3.814 3.676 3.957 . 0 0 "[ . 1 . 2]" 1
901 1 45 LEU QD 1 64 CYS H 5.450 . 5.450 2.974 2.707 3.326 . 0 0 "[ . 1 . 2]" 1
902 1 45 LEU QD 1 65 HIS HA 5.030 . 5.030 2.580 2.227 2.844 . 0 0 "[ . 1 . 2]" 1
903 1 45 LEU QD 1 65 HIS QB 6.220 . 6.220 3.077 2.664 3.366 . 0 0 "[ . 1 . 2]" 1
904 1 45 LEU QD 1 65 HIS H 5.990 . 5.990 1.987 1.797 2.309 0.003 17 0 "[ . 1 . 2]" 1
905 1 45 LEU QD 1 66 LYS H 6.130 . 6.130 4.225 4.004 4.343 . 0 0 "[ . 1 . 2]" 1
906 1 45 LEU QD 1 67 ASP H 7.540 . 7.540 5.314 5.035 5.503 . 0 0 "[ . 1 . 2]" 1
907 1 45 LEU HG 1 46 TRP H 4.990 . 4.990 3.779 3.310 4.458 . 0 0 "[ . 1 . 2]" 1
908 1 45 LEU HG 1 54 ALA HA 5.500 . 5.500 4.927 4.519 5.399 . 0 0 "[ . 1 . 2]" 1
909 1 45 LEU HG 1 54 ALA MB 4.440 . 4.440 3.296 2.680 3.567 . 0 0 "[ . 1 . 2]" 1
910 1 45 LEU HG 1 64 CYS HA 5.460 . 5.460 5.065 3.984 5.485 0.025 2 0 "[ . 1 . 2]" 1
911 1 46 TRP HA 1 47 HIS H 3.420 . 3.420 2.596 2.532 2.625 . 0 0 "[ . 1 . 2]" 1
912 1 46 TRP HA 1 51 PRO HA 4.970 . 4.970 4.546 4.354 4.700 . 0 0 "[ . 1 . 2]" 1
913 1 46 TRP HA 1 51 PRO HB3 4.940 . 4.940 4.691 4.516 4.815 . 0 0 "[ . 1 . 2]" 1
914 1 46 TRP HA 1 51 PRO HB2 5.390 . 5.390 5.292 5.110 5.397 0.007 19 0 "[ . 1 . 2]" 1
915 1 46 TRP HA 1 52 PRO QD 5.140 . 5.140 3.433 3.214 3.617 . 0 0 "[ . 1 . 2]" 1
916 1 46 TRP HB3 1 47 HIS H 4.080 . 4.080 3.473 3.415 3.564 . 0 0 "[ . 1 . 2]" 1
917 1 46 TRP H 1 46 TRP HB3 3.770 . 3.770 3.681 3.604 3.736 . 0 0 "[ . 1 . 2]" 1
918 1 46 TRP H 1 46 TRP HB2 4.170 . 4.170 4.094 4.080 4.113 . 0 0 "[ . 1 . 2]" 1
919 1 46 TRP H 1 47 HIS H 4.470 . 4.470 4.365 4.358 4.368 . 0 0 "[ . 1 . 2]" 1
920 1 46 TRP H 1 52 PRO QD 4.820 . 4.820 3.926 3.749 4.084 . 0 0 "[ . 1 . 2]" 1
921 1 46 TRP H 1 52 PRO HG3 4.150 . 4.150 3.989 3.631 4.155 0.005 5 0 "[ . 1 . 2]" 1
922 1 46 TRP H 1 52 PRO HG2 5.090 . 5.090 4.041 3.825 4.267 . 0 0 "[ . 1 . 2]" 1
923 1 47 HIS HA 1 48 MET HA 4.790 . 4.790 4.361 4.350 4.392 . 0 0 "[ . 1 . 2]" 1
924 1 47 HIS HA 1 48 MET H 2.560 . 2.560 2.203 2.141 2.390 . 0 0 "[ . 1 . 2]" 1
925 1 47 HIS HA 1 49 PHE H 4.690 . 4.690 4.139 3.868 4.522 . 0 0 "[ . 1 . 2]" 1
926 1 47 HIS HA 1 50 LYS H 5.500 . 5.500 5.217 4.855 5.504 0.004 15 0 "[ . 1 . 2]" 1
927 1 47 HIS HA 1 51 PRO HA 5.340 . 5.340 4.444 4.360 4.510 . 0 0 "[ . 1 . 2]" 1
928 1 47 HIS HA 1 52 PRO QD 6.130 . 6.130 4.232 4.164 4.348 . 0 0 "[ . 1 . 2]" 1
929 1 47 HIS HB3 1 48 MET H 3.670 . 3.670 3.504 2.930 3.676 0.006 9 0 "[ . 1 . 2]" 1
930 1 47 HIS HB3 1 49 PHE H 4.420 . 4.420 3.913 3.771 4.157 . 0 0 "[ . 1 . 2]" 1
931 1 47 HIS HB3 1 50 LYS H 3.840 . 3.840 3.409 2.896 3.727 . 0 0 "[ . 1 . 2]" 1
932 1 47 HIS HB3 1 51 PRO HA 4.560 . 4.560 2.068 1.981 2.395 . 0 0 "[ . 1 . 2]" 1
933 1 47 HIS HB3 1 52 PRO QD 6.210 . 6.210 2.872 2.728 2.985 . 0 0 "[ . 1 . 2]" 1
934 1 47 HIS HB2 1 50 LYS H 5.500 . 5.500 4.900 4.574 5.115 . 0 0 "[ . 1 . 2]" 1
935 1 47 HIS HB2 1 51 PRO HA 3.580 . 3.580 2.080 1.981 2.239 . 0 0 "[ . 1 . 2]" 1
936 1 47 HIS HB2 1 51 PRO HB3 4.810 . 4.810 3.843 3.725 3.970 . 0 0 "[ . 1 . 2]" 1
937 1 47 HIS HB2 1 51 PRO HB2 4.940 . 4.940 4.625 4.510 4.818 . 0 0 "[ . 1 . 2]" 1
938 1 47 HIS HB2 1 52 PRO QD 5.130 . 5.130 1.861 1.818 2.000 . 0 0 "[ . 1 . 2]" 1
939 1 47 HIS H 1 47 HIS HB3 3.860 . 3.860 3.635 3.558 3.764 . 0 0 "[ . 1 . 2]" 1
940 1 47 HIS H 1 47 HIS HB2 4.170 . 4.170 3.176 3.120 3.245 . 0 0 "[ . 1 . 2]" 1
941 1 47 HIS H 1 51 PRO HA 4.180 . 4.180 4.003 3.773 4.184 0.004 8 0 "[ . 1 . 2]" 1
942 1 47 HIS H 1 51 PRO HB3 4.050 . 4.050 3.928 3.719 4.055 0.005 15 0 "[ . 1 . 2]" 1
943 1 47 HIS H 1 52 PRO QD 5.140 . 5.140 3.940 3.815 4.129 . 0 0 "[ . 1 . 2]" 1
944 1 48 MET HA 1 48 MET ME 5.570 . 5.570 4.044 1.875 4.563 . 0 0 "[ . 1 . 2]" 1
945 1 48 MET HA 1 48 MET HG3 3.870 . 3.870 3.190 2.321 3.857 . 0 0 "[ . 1 . 2]" 1
946 1 48 MET HA 1 48 MET HG2 3.870 . 3.870 3.165 2.440 3.733 . 0 0 "[ . 1 . 2]" 1
947 1 48 MET HB3 1 48 MET ME 4.610 . 4.610 2.993 2.014 3.718 . 0 0 "[ . 1 . 2]" 1
948 1 48 MET HB3 1 49 PHE HA 5.500 . 5.500 4.817 4.195 5.561 0.061 18 0 "[ . 1 . 2]" 1
949 1 48 MET HB3 1 49 PHE H 4.140 . 4.140 3.750 3.355 3.990 . 0 0 "[ . 1 . 2]" 1
950 1 48 MET HB2 1 48 MET ME 4.610 . 4.610 2.701 1.940 3.813 . 0 0 "[ . 1 . 2]" 1
951 1 48 MET HB2 1 49 PHE HA 5.500 . 5.500 4.287 4.052 4.532 . 0 0 "[ . 1 . 2]" 1
952 1 48 MET HB2 1 49 PHE H 4.140 . 4.140 2.852 2.429 3.625 . 0 0 "[ . 1 . 2]" 1
953 1 48 MET QB 1 49 PHE HA 5.630 . 5.630 3.968 3.844 4.279 . 0 0 "[ . 1 . 2]" 1
954 1 48 MET QB 1 49 PHE H 4.490 . 4.490 2.745 2.385 3.310 . 0 0 "[ . 1 . 2]" 1
955 1 48 MET QG 1 49 PHE H 5.650 . 5.650 3.412 1.923 4.398 . 0 0 "[ . 1 . 2]" 1
956 1 48 MET H 1 48 MET QB 3.660 . 3.660 2.570 2.276 3.060 . 0 0 "[ . 1 . 2]" 1
957 1 48 MET H 1 48 MET ME 4.630 . 4.630 3.006 1.931 3.744 . 0 0 "[ . 1 . 2]" 1
958 1 48 MET H 1 48 MET HG3 4.080 . 4.080 2.737 2.069 3.624 . 0 0 "[ . 1 . 2]" 1
959 1 48 MET H 1 48 MET HG2 4.080 . 4.080 3.117 1.916 4.082 0.002 5 0 "[ . 1 . 2]" 1
960 1 48 MET H 1 49 PHE QB 6.220 . 6.220 4.338 4.116 4.533 . 0 0 "[ . 1 . 2]" 1
961 1 48 MET H 1 49 PHE H 3.380 . 3.380 2.376 2.213 2.533 . 0 0 "[ . 1 . 2]" 1
962 1 48 MET H 1 50 LYS H 4.640 . 4.640 4.516 3.689 4.645 0.005 10 0 "[ . 1 . 2]" 1
963 1 48 MET H 1 52 PRO QD 6.390 . 6.390 5.600 5.310 5.741 . 0 0 "[ . 1 . 2]" 1
964 1 49 PHE HA 1 50 LYS QG 5.370 . 5.370 4.223 3.974 4.452 . 0 0 "[ . 1 . 2]" 1
965 1 49 PHE HA 1 51 PRO HD3 4.790 . 4.790 4.699 4.562 4.793 0.003 9 0 "[ . 1 . 2]" 1
966 1 49 PHE HA 1 51 PRO HD2 5.500 . 5.500 5.505 5.500 5.510 0.010 19 0 "[ . 1 . 2]" 1
967 1 49 PHE HB3 1 50 LYS HB3 5.500 . 5.500 5.345 5.248 5.451 . 0 0 "[ . 1 . 2]" 1
968 1 49 PHE HB3 1 50 LYS HB2 5.500 . 5.500 4.218 3.951 4.471 . 0 0 "[ . 1 . 2]" 1
969 1 49 PHE HB3 1 50 LYS QD 6.380 . 6.380 4.531 3.842 5.087 . 0 0 "[ . 1 . 2]" 1
970 1 49 PHE HB3 1 50 LYS QG 4.740 . 4.740 2.798 2.451 3.108 . 0 0 "[ . 1 . 2]" 1
971 1 49 PHE HB3 1 50 LYS H 3.650 . 3.650 2.826 2.659 3.202 . 0 0 "[ . 1 . 2]" 1
972 1 49 PHE HB2 1 50 LYS HB3 5.500 . 5.500 5.454 5.354 5.505 0.005 20 0 "[ . 1 . 2]" 1
973 1 49 PHE HB2 1 50 LYS HB2 5.500 . 5.500 4.039 3.837 4.277 . 0 0 "[ . 1 . 2]" 1
974 1 49 PHE HB2 1 50 LYS QD 6.380 . 6.380 5.360 4.851 5.731 . 0 0 "[ . 1 . 2]" 1
975 1 49 PHE HB2 1 50 LYS QG 4.740 . 4.740 3.633 3.249 4.058 . 0 0 "[ . 1 . 2]" 1
976 1 49 PHE HB2 1 50 LYS H 3.650 . 3.650 2.073 1.991 2.358 . 0 0 "[ . 1 . 2]" 1
977 1 49 PHE QB 1 50 LYS QB 5.670 . 5.670 3.560 3.426 3.722 . 0 0 "[ . 1 . 2]" 1
978 1 49 PHE QB 1 50 LYS QD 6.420 . 6.420 4.299 3.713 4.735 . 0 0 "[ . 1 . 2]" 1
979 1 49 PHE H 1 49 PHE HB3 3.790 . 3.790 3.586 3.566 3.610 . 0 0 "[ . 1 . 2]" 1
980 1 49 PHE H 1 49 PHE HB2 3.790 . 3.790 2.369 2.314 2.445 . 0 0 "[ . 1 . 2]" 1
981 1 49 PHE H 1 50 LYS HA 5.500 . 5.500 5.170 5.029 5.259 . 0 0 "[ . 1 . 2]" 1
982 1 49 PHE H 1 50 LYS QG 6.330 . 6.330 5.183 4.887 5.468 . 0 0 "[ . 1 . 2]" 1
983 1 49 PHE H 1 50 LYS H 3.240 . 3.240 2.916 2.691 3.035 . 0 0 "[ . 1 . 2]" 1
984 1 49 PHE H 1 51 PRO HD3 5.210 . 5.210 4.827 4.630 4.914 . 0 0 "[ . 1 . 2]" 1
985 1 50 LYS HA 1 50 LYS QD 4.780 . 4.780 2.352 1.987 2.670 . 0 0 "[ . 1 . 2]" 1
986 1 50 LYS HA 1 51 PRO HB2 5.500 . 5.500 5.493 5.479 5.507 0.007 3 0 "[ . 1 . 2]" 1
987 1 50 LYS HA 1 51 PRO HD3 3.250 . 3.250 2.719 2.668 2.755 . 0 0 "[ . 1 . 2]" 1
988 1 50 LYS HA 1 51 PRO HD2 3.140 . 3.140 1.940 1.923 1.967 . 0 0 "[ . 1 . 2]" 1
989 1 50 LYS HA 1 51 PRO QG 5.070 . 5.070 3.804 3.787 3.828 . 0 0 "[ . 1 . 2]" 1
990 1 50 LYS HB3 1 51 PRO HD3 5.220 . 5.220 4.910 4.860 4.953 . 0 0 "[ . 1 . 2]" 1
991 1 50 LYS HB2 1 51 PRO HD3 5.220 . 5.220 5.211 5.185 5.233 0.013 10 0 "[ . 1 . 2]" 1
992 1 50 LYS QB 1 51 PRO HD3 5.440 . 5.440 4.494 4.460 4.524 . 0 0 "[ . 1 . 2]" 1
993 1 50 LYS QB 1 51 PRO HD2 4.770 . 4.770 3.711 3.610 3.778 . 0 0 "[ . 1 . 2]" 1
994 1 50 LYS QD 1 51 PRO HD3 5.500 . 5.500 4.574 4.256 4.939 . 0 0 "[ . 1 . 2]" 1
995 1 50 LYS QD 1 51 PRO HD2 5.130 . 5.130 3.433 2.970 3.853 . 0 0 "[ . 1 . 2]" 1
996 1 50 LYS QG 1 51 PRO HD3 5.880 . 5.880 5.013 4.793 5.154 . 0 0 "[ . 1 . 2]" 1
997 1 50 LYS QG 1 51 PRO HD2 5.620 . 5.620 4.457 4.204 4.633 . 0 0 "[ . 1 . 2]" 1
998 1 50 LYS H 1 50 LYS HB3 4.200 . 4.200 3.727 3.630 3.796 . 0 0 "[ . 1 . 2]" 1
999 1 50 LYS H 1 50 LYS HB2 4.200 . 4.200 2.569 2.417 2.686 . 0 0 "[ . 1 . 2]" 1
1000 1 50 LYS H 1 50 LYS QD 5.560 . 5.560 4.235 3.856 4.503 . 0 0 "[ . 1 . 2]" 1
1001 1 50 LYS H 1 50 LYS QG 4.370 . 4.370 2.932 2.497 3.223 . 0 0 "[ . 1 . 2]" 1
1002 1 50 LYS H 1 51 PRO HA 4.970 . 4.970 4.805 4.657 4.938 . 0 0 "[ . 1 . 2]" 1
1003 1 50 LYS H 1 51 PRO HD3 4.240 . 4.240 4.028 3.855 4.163 . 0 0 "[ . 1 . 2]" 1
1004 1 51 PRO HA 1 52 PRO QD 4.390 . 4.390 1.931 1.899 1.972 . 0 0 "[ . 1 . 2]" 1
1005 1 51 PRO HA 1 52 PRO HG3 4.360 . 4.360 4.387 4.378 4.394 0.034 13 0 "[ . 1 . 2]" 1
1006 1 51 PRO HA 1 52 PRO HG2 4.920 . 4.920 4.232 4.171 4.319 . 0 0 "[ . 1 . 2]" 1
1007 1 51 PRO HB3 1 52 PRO QD 4.970 . 4.970 3.508 3.423 3.564 . 0 0 "[ . 1 . 2]" 1
1008 1 51 PRO HB2 1 52 PRO QD 5.090 . 5.090 3.480 3.305 3.592 . 0 0 "[ . 1 . 2]" 1
1009 1 52 PRO HA 1 53 PRO HA 4.510 . 4.510 4.417 4.413 4.428 . 0 0 "[ . 1 . 2]" 1
1010 1 52 PRO HA 1 53 PRO HB3 5.100 . 5.100 4.957 4.911 5.014 . 0 0 "[ . 1 . 2]" 1
1011 1 52 PRO HA 1 53 PRO HD3 3.280 . 3.280 2.413 2.380 2.462 . 0 0 "[ . 1 . 2]" 1
1012 1 52 PRO HA 1 53 PRO HD2 3.280 . 3.280 2.322 2.218 2.415 . 0 0 "[ . 1 . 2]" 1
1013 1 52 PRO HA 1 53 PRO HG3 4.640 . 4.640 4.521 4.494 4.545 . 0 0 "[ . 1 . 2]" 1
1014 1 52 PRO HA 1 53 PRO HG2 4.640 . 4.640 4.471 4.390 4.541 . 0 0 "[ . 1 . 2]" 1
1015 1 52 PRO HB3 1 53 PRO HD3 4.450 . 4.450 4.143 4.025 4.316 . 0 0 "[ . 1 . 2]" 1
1016 1 52 PRO HB3 1 53 PRO HD2 4.450 . 4.450 2.975 2.897 3.081 . 0 0 "[ . 1 . 2]" 1
1017 1 52 PRO HB2 1 53 PRO HD3 4.450 . 4.450 3.949 3.821 4.094 . 0 0 "[ . 1 . 2]" 1
1018 1 52 PRO HB2 1 53 PRO HD2 4.450 . 4.450 2.545 2.429 2.684 . 0 0 "[ . 1 . 2]" 1
1019 1 52 PRO QB 1 53 PRO QD 5.240 . 5.240 2.374 2.286 2.488 . 0 0 "[ . 1 . 2]" 1
1020 1 52 PRO HG2 1 54 ALA MB 5.150 . 5.150 3.709 3.530 3.877 . 0 0 "[ . 1 . 2]" 1
1021 1 53 PRO HA 1 54 ALA HA 4.680 . 4.680 4.471 4.465 4.476 . 0 0 "[ . 1 . 2]" 1
1022 1 53 PRO HA 1 54 ALA MB 5.420 . 5.420 4.164 4.120 4.198 . 0 0 "[ . 1 . 2]" 1
1023 1 53 PRO HA 1 54 ALA H 2.540 . 2.540 2.278 2.262 2.291 . 0 0 "[ . 1 . 2]" 1
1024 1 53 PRO HA 1 66 LYS HB3 5.150 . 5.150 4.865 4.786 4.911 . 0 0 "[ . 1 . 2]" 1
1025 1 53 PRO HA 1 66 LYS QD 5.610 . 5.610 4.978 4.842 5.060 . 0 0 "[ . 1 . 2]" 1
1026 1 53 PRO HB3 1 54 ALA H 4.420 . 4.420 4.412 4.393 4.429 0.009 16 0 "[ . 1 . 2]" 1
1027 1 53 PRO HB3 1 66 LYS HB3 4.340 . 4.340 4.122 3.966 4.207 . 0 0 "[ . 1 . 2]" 1
1028 1 53 PRO HB3 1 66 LYS HB2 4.590 . 4.590 4.095 3.921 4.138 . 0 0 "[ . 1 . 2]" 1
1029 1 53 PRO HB3 1 66 LYS QD 5.080 . 5.080 3.886 3.736 4.028 . 0 0 "[ . 1 . 2]" 1
1030 1 53 PRO HB2 1 54 ALA HA 4.980 . 4.980 4.684 4.663 4.699 . 0 0 "[ . 1 . 2]" 1
1031 1 53 PRO HB2 1 54 ALA H 4.260 . 4.260 4.120 4.097 4.142 . 0 0 "[ . 1 . 2]" 1
1032 1 53 PRO HB2 1 66 LYS HA 4.740 . 4.740 4.716 4.559 4.755 0.015 3 0 "[ . 1 . 2]" 1
1033 1 53 PRO HB2 1 66 LYS HB3 3.780 . 3.780 2.554 2.411 2.656 . 0 0 "[ . 1 . 2]" 1
1034 1 53 PRO HB2 1 66 LYS HB2 4.380 . 4.380 2.340 2.173 2.392 . 0 0 "[ . 1 . 2]" 1
1035 1 53 PRO HB2 1 66 LYS QD 4.800 . 4.800 2.803 2.555 2.980 . 0 0 "[ . 1 . 2]" 1
1036 1 53 PRO HB2 1 66 LYS HG3 4.850 . 4.850 4.565 4.393 4.612 . 0 0 "[ . 1 . 2]" 1
1037 1 53 PRO HB2 1 66 LYS H 4.310 . 4.310 3.725 3.588 3.785 . 0 0 "[ . 1 . 2]" 1
1038 1 53 PRO HB2 1 67 ASP H 5.500 . 5.500 5.184 5.060 5.287 . 0 0 "[ . 1 . 2]" 1
1039 1 53 PRO HG3 1 66 LYS QD 5.500 . 5.500 4.244 4.090 4.511 . 0 0 "[ . 1 . 2]" 1
1040 1 53 PRO HG2 1 66 LYS QD 5.500 . 5.500 4.115 3.936 4.349 . 0 0 "[ . 1 . 2]" 1
1041 1 53 PRO QG 1 66 LYS HB3 5.430 . 5.430 2.205 2.121 2.323 . 0 0 "[ . 1 . 2]" 1
1042 1 53 PRO QG 1 66 LYS HB2 5.500 . 5.500 3.321 3.205 3.456 . 0 0 "[ . 1 . 2]" 1
1043 1 54 ALA HA 1 55 LEU HB2 5.310 . 5.310 4.737 4.699 4.800 . 0 0 "[ . 1 . 2]" 1
1044 1 54 ALA HA 1 55 LEU MD1 6.050 . 6.050 4.927 4.821 5.065 . 0 0 "[ . 1 . 2]" 1
1045 1 54 ALA HA 1 55 LEU MD2 5.110 . 5.110 3.752 3.585 3.901 . 0 0 "[ . 1 . 2]" 1
1046 1 54 ALA HA 1 55 LEU HG 4.660 . 4.660 3.472 3.369 3.623 . 0 0 "[ . 1 . 2]" 1
1047 1 54 ALA HA 1 55 LEU H 2.860 . 2.860 2.327 2.194 2.407 . 0 0 "[ . 1 . 2]" 1
1048 1 54 ALA HA 1 63 LYS QB 6.250 . 6.250 4.943 4.719 5.100 . 0 0 "[ . 1 . 2]" 1
1049 1 54 ALA HA 1 64 CYS H 4.290 . 4.290 4.250 4.178 4.306 0.016 16 0 "[ . 1 . 2]" 1
1050 1 54 ALA HA 1 65 HIS HA 3.200 . 3.200 1.975 1.899 2.116 . 0 0 "[ . 1 . 2]" 1
1051 1 54 ALA HA 1 65 HIS QB 5.360 . 5.360 3.809 3.738 3.936 . 0 0 "[ . 1 . 2]" 1
1052 1 54 ALA HA 1 66 LYS HA 4.920 . 4.920 4.469 4.392 4.652 . 0 0 "[ . 1 . 2]" 1
1053 1 54 ALA HA 1 66 LYS HB3 5.500 . 5.500 4.623 4.573 4.730 . 0 0 "[ . 1 . 2]" 1
1054 1 54 ALA HA 1 66 LYS HB2 4.770 . 4.770 4.073 3.981 4.308 . 0 0 "[ . 1 . 2]" 1
1055 1 54 ALA HA 1 66 LYS H 3.150 . 3.150 2.456 2.394 2.650 . 0 0 "[ . 1 . 2]" 1
1056 1 54 ALA HA 1 67 ASP H 5.500 . 5.500 4.939 4.880 5.104 . 0 0 "[ . 1 . 2]" 1
1057 1 54 ALA MB 1 55 LEU HA 5.380 . 5.380 4.061 3.999 4.171 . 0 0 "[ . 1 . 2]" 1
1058 1 54 ALA MB 1 55 LEU MD2 6.970 . 6.970 4.298 4.197 4.407 . 0 0 "[ . 1 . 2]" 1
1059 1 54 ALA MB 1 55 LEU H 3.850 . 3.850 2.598 2.419 2.899 . 0 0 "[ . 1 . 2]" 1
1060 1 54 ALA MB 1 56 GLU H 6.330 . 6.330 4.548 4.353 4.732 . 0 0 "[ . 1 . 2]" 1
1061 1 54 ALA MB 1 64 CYS HA 6.520 . 6.520 4.480 4.338 4.760 . 0 0 "[ . 1 . 2]" 1
1062 1 54 ALA MB 1 64 CYS H 4.640 . 4.640 3.295 3.131 3.510 . 0 0 "[ . 1 . 2]" 1
1063 1 54 ALA MB 1 65 HIS HA 5.100 . 5.100 3.056 2.949 3.199 . 0 0 "[ . 1 . 2]" 1
1064 1 54 ALA MB 1 66 LYS H 5.600 . 5.600 4.069 4.012 4.218 . 0 0 "[ . 1 . 2]" 1
1065 1 54 ALA H 1 55 LEU H 4.770 . 4.770 4.575 4.549 4.583 . 0 0 "[ . 1 . 2]" 1
1066 1 54 ALA H 1 66 LYS HB3 5.500 . 5.500 5.514 5.503 5.521 0.021 2 0 "[ . 1 . 2]" 1
1067 1 54 ALA H 1 66 LYS H 5.240 . 5.240 4.408 4.371 4.499 . 0 0 "[ . 1 . 2]" 1
1068 1 55 LEU HA 1 55 LEU MD2 4.420 . 4.420 2.131 1.926 2.262 . 0 0 "[ . 1 . 2]" 1
1069 1 55 LEU HA 1 55 LEU HG 4.140 . 4.140 3.306 3.277 3.354 . 0 0 "[ . 1 . 2]" 1
1070 1 55 LEU HA 1 56 GLU H 2.800 . 2.800 2.134 2.126 2.144 . 0 0 "[ . 1 . 2]" 1
1071 1 55 LEU HA 1 63 LYS QB 6.380 . 6.380 5.431 5.409 5.461 . 0 0 "[ . 1 . 2]" 1
1072 1 55 LEU HA 1 64 CYS H 4.770 . 4.770 4.292 4.224 4.340 . 0 0 "[ . 1 . 2]" 1
1073 1 55 LEU HA 1 66 LYS HA 5.450 . 5.450 5.261 5.180 5.421 . 0 0 "[ . 1 . 2]" 1
1074 1 55 LEU HB3 1 56 GLU H 4.100 . 4.100 3.564 3.419 3.664 . 0 0 "[ . 1 . 2]" 1
1075 1 55 LEU HB3 1 64 CYS H 4.790 . 4.790 4.585 4.475 4.678 . 0 0 "[ . 1 . 2]" 1
1076 1 55 LEU HB2 1 56 GLU H 4.470 . 4.470 4.243 4.142 4.313 . 0 0 "[ . 1 . 2]" 1
1077 1 55 LEU HB2 1 64 CYS QB 5.760 . 5.760 3.163 2.772 4.136 . 0 0 "[ . 1 . 2]" 1
1078 1 55 LEU HB2 1 64 CYS H 3.960 . 3.960 3.254 3.140 3.361 . 0 0 "[ . 1 . 2]" 1
1079 1 55 LEU MD1 1 56 GLU H 6.520 . 6.520 5.242 5.171 5.285 . 0 0 "[ . 1 . 2]" 1
1080 1 55 LEU MD1 1 64 CYS QB 6.470 . 6.470 3.880 3.593 4.562 . 0 0 "[ . 1 . 2]" 1
1081 1 55 LEU MD1 1 66 LYS HA 4.090 . 4.090 2.047 1.966 2.114 . 0 0 "[ . 1 . 2]" 1
1082 1 55 LEU MD1 1 66 LYS HB3 5.530 . 5.530 4.397 4.290 4.489 . 0 0 "[ . 1 . 2]" 1
1083 1 55 LEU MD1 1 66 LYS HB2 5.250 . 5.250 3.421 3.292 3.518 . 0 0 "[ . 1 . 2]" 1
1084 1 55 LEU MD1 1 66 LYS QD 6.520 . 6.520 3.277 2.791 3.677 . 0 0 "[ . 1 . 2]" 1
1085 1 55 LEU MD1 1 66 LYS HE3 5.670 . 5.670 2.843 2.126 3.751 . 0 0 "[ . 1 . 2]" 1
1086 1 55 LEU MD1 1 66 LYS HE2 5.670 . 5.670 3.102 2.177 3.950 . 0 0 "[ . 1 . 2]" 1
1087 1 55 LEU MD1 1 66 LYS QE 5.950 . 5.950 2.455 2.113 3.129 . 0 0 "[ . 1 . 2]" 1
1088 1 55 LEU MD1 1 66 LYS HG3 5.010 . 5.010 3.064 2.907 3.216 . 0 0 "[ . 1 . 2]" 1
1089 1 55 LEU MD1 1 66 LYS HG2 5.750 . 5.750 4.443 4.293 4.568 . 0 0 "[ . 1 . 2]" 1
1090 1 55 LEU MD1 1 66 LYS H 5.510 . 5.510 4.147 4.064 4.205 . 0 0 "[ . 1 . 2]" 1
1091 1 55 LEU MD1 1 67 ASP H 6.070 . 6.070 4.871 4.809 4.917 . 0 0 "[ . 1 . 2]" 1
1092 1 55 LEU MD1 1 68 HIS H 6.120 . 6.120 4.715 4.617 4.814 . 0 0 "[ . 1 . 2]" 1
1093 1 55 LEU MD1 1 69 MET HA 5.790 . 5.790 4.338 4.160 4.516 . 0 0 "[ . 1 . 2]" 1
1094 1 55 LEU MD1 1 69 MET HB3 4.720 . 4.720 2.504 2.364 2.714 . 0 0 "[ . 1 . 2]" 1
1095 1 55 LEU MD1 1 69 MET HB2 4.960 . 4.960 2.369 2.195 2.487 . 0 0 "[ . 1 . 2]" 1
1096 1 55 LEU MD1 1 69 MET ME 6.090 . 6.090 2.913 2.501 3.815 . 0 0 "[ . 1 . 2]" 1
1097 1 55 LEU MD1 1 69 MET QG 5.590 . 5.590 2.948 2.780 3.156 . 0 0 "[ . 1 . 2]" 1
1098 1 55 LEU MD1 1 69 MET H 4.980 . 4.980 3.171 3.024 3.292 . 0 0 "[ . 1 . 2]" 1
1099 1 55 LEU MD1 1 70 ASP H 5.440 . 5.440 4.186 4.033 4.341 . 0 0 "[ . 1 . 2]" 1
1100 1 55 LEU MD1 1 76 ILE MD 6.340 . 6.340 4.106 3.960 4.266 . 0 0 "[ . 1 . 2]" 1
1101 1 55 LEU MD2 1 56 GLU H 5.500 . 5.500 3.804 3.703 3.881 . 0 0 "[ . 1 . 2]" 1
1102 1 55 LEU MD2 1 66 LYS HA 4.500 . 4.500 2.832 2.661 2.978 . 0 0 "[ . 1 . 2]" 1
1103 1 55 LEU MD2 1 66 LYS HB3 5.400 . 5.400 3.834 3.693 3.968 . 0 0 "[ . 1 . 2]" 1
1104 1 55 LEU MD2 1 66 LYS HB2 5.250 . 5.250 2.343 2.127 2.501 . 0 0 "[ . 1 . 2]" 1
1105 1 55 LEU MD2 1 66 LYS QD 6.030 . 6.030 2.108 1.884 2.506 . 0 0 "[ . 1 . 2]" 1
1106 1 55 LEU MD2 1 66 LYS HE3 4.980 . 4.980 2.475 1.986 3.259 . 0 0 "[ . 1 . 2]" 1
1107 1 55 LEU MD2 1 66 LYS HE2 4.980 . 4.980 3.343 2.457 3.829 . 0 0 "[ . 1 . 2]" 1
1108 1 55 LEU MD2 1 66 LYS QE 5.320 . 5.320 2.361 1.929 3.089 . 0 0 "[ . 1 . 2]" 1
1109 1 55 LEU MD2 1 66 LYS HG3 4.750 . 4.750 3.504 3.317 3.699 . 0 0 "[ . 1 . 2]" 1
1110 1 55 LEU MD2 1 66 LYS HG2 5.550 . 5.550 4.231 4.117 4.387 . 0 0 "[ . 1 . 2]" 1
1111 1 55 LEU MD2 1 66 LYS H 5.700 . 5.700 3.657 3.537 3.750 . 0 0 "[ . 1 . 2]" 1
1112 1 55 LEU HG 1 64 CYS QB 6.220 . 6.220 4.485 4.227 5.174 . 0 0 "[ . 1 . 2]" 1
1113 1 55 LEU HG 1 66 LYS HA 3.580 . 3.580 2.049 1.959 2.188 . 0 0 "[ . 1 . 2]" 1
1114 1 55 LEU HG 1 66 LYS HB3 4.620 . 4.620 4.247 4.143 4.357 . 0 0 "[ . 1 . 2]" 1
1115 1 55 LEU HG 1 66 LYS HB2 4.540 . 4.540 3.006 2.871 3.097 . 0 0 "[ . 1 . 2]" 1
1116 1 55 LEU HG 1 66 LYS HG3 4.930 . 4.930 4.314 4.184 4.445 . 0 0 "[ . 1 . 2]" 1
1117 1 55 LEU HG 1 66 LYS H 3.800 . 3.800 3.075 3.019 3.145 . 0 0 "[ . 1 . 2]" 1
1118 1 55 LEU H 1 55 LEU HB2 3.240 . 3.240 2.708 2.644 2.767 . 0 0 "[ . 1 . 2]" 1
1119 1 55 LEU H 1 55 LEU MD1 5.340 . 5.340 4.012 3.845 4.110 . 0 0 "[ . 1 . 2]" 1
1120 1 55 LEU H 1 55 LEU MD2 4.660 . 4.660 3.406 3.194 3.548 . 0 0 "[ . 1 . 2]" 1
1121 1 55 LEU H 1 55 LEU HG 3.240 . 3.240 2.683 2.449 2.811 . 0 0 "[ . 1 . 2]" 1
1122 1 55 LEU H 1 63 LYS HA 4.390 . 4.390 4.139 3.992 4.391 0.001 16 0 "[ . 1 . 2]" 1
1123 1 55 LEU H 1 63 LYS QB 5.400 . 5.400 3.992 3.820 4.325 . 0 0 "[ . 1 . 2]" 1
1124 1 55 LEU H 1 64 CYS HA 4.490 . 4.490 4.210 4.125 4.357 . 0 0 "[ . 1 . 2]" 1
1125 1 55 LEU H 1 64 CYS H 3.260 . 3.260 2.338 2.197 2.580 . 0 0 "[ . 1 . 2]" 1
1126 1 55 LEU H 1 65 HIS HA 4.250 . 4.250 3.288 3.138 3.430 . 0 0 "[ . 1 . 2]" 1
1127 1 55 LEU H 1 66 LYS H 4.690 . 4.690 3.811 3.544 3.987 . 0 0 "[ . 1 . 2]" 1
1128 1 56 GLU HA 1 56 GLU HG3 4.210 . 4.210 2.880 2.580 3.030 . 0 0 "[ . 1 . 2]" 1
1129 1 56 GLU HA 1 57 CYS H 2.930 . 2.930 2.187 2.164 2.231 . 0 0 "[ . 1 . 2]" 1
1130 1 56 GLU HA 1 61 HIS HA 5.500 . 5.500 5.288 5.187 5.519 0.019 1 0 "[ . 1 . 2]" 1
1131 1 56 GLU HA 1 63 LYS HA 3.230 . 3.230 2.086 1.996 2.158 . 0 0 "[ . 1 . 2]" 1
1132 1 56 GLU HA 1 63 LYS QB 5.510 . 5.510 3.726 3.568 3.797 . 0 0 "[ . 1 . 2]" 1
1133 1 56 GLU HA 1 63 LYS QD 5.940 . 5.940 4.520 3.827 5.335 . 0 0 "[ . 1 . 2]" 1
1134 1 56 GLU HA 1 63 LYS QE 6.210 . 6.210 4.688 3.898 5.362 . 0 0 "[ . 1 . 2]" 1
1135 1 56 GLU HA 1 63 LYS HG3 4.880 . 4.880 2.981 2.657 3.402 . 0 0 "[ . 1 . 2]" 1
1136 1 56 GLU HA 1 63 LYS HG2 4.660 . 4.660 4.409 3.674 4.651 . 0 0 "[ . 1 . 2]" 1
1137 1 56 GLU HA 1 64 CYS H 4.040 . 4.040 3.704 3.597 3.783 . 0 0 "[ . 1 . 2]" 1
1138 1 56 GLU HB3 1 57 CYS HA 5.300 . 5.300 5.024 4.970 5.094 . 0 0 "[ . 1 . 2]" 1
1139 1 56 GLU HB3 1 57 CYS H 4.300 . 4.300 3.996 3.916 4.084 . 0 0 "[ . 1 . 2]" 1
1140 1 56 GLU HB3 1 63 LYS HA 5.080 . 5.080 4.846 4.703 4.932 . 0 0 "[ . 1 . 2]" 1
1141 1 56 GLU HB2 1 63 LYS HA 4.630 . 4.630 3.723 3.562 3.824 . 0 0 "[ . 1 . 2]" 1
1142 1 56 GLU HB2 1 63 LYS QB 6.220 . 6.220 3.962 3.835 4.086 . 0 0 "[ . 1 . 2]" 1
1143 1 56 GLU HB2 1 63 LYS HG3 5.210 . 5.210 3.030 2.471 3.658 . 0 0 "[ . 1 . 2]" 1
1144 1 56 GLU HB2 1 63 LYS HG2 5.120 . 5.120 3.786 2.846 4.111 . 0 0 "[ . 1 . 2]" 1
1145 1 56 GLU HB2 1 64 CYS H 5.270 . 5.270 5.011 4.866 5.100 . 0 0 "[ . 1 . 2]" 1
1146 1 56 GLU HG3 1 57 CYS H 4.090 . 4.090 3.671 3.199 3.920 . 0 0 "[ . 1 . 2]" 1
1147 1 56 GLU HG3 1 61 HIS HA 4.520 . 4.520 4.413 4.154 4.522 0.002 4 0 "[ . 1 . 2]" 1
1148 1 56 GLU HG3 1 61 HIS QB 6.380 . 6.380 5.098 4.774 5.731 . 0 0 "[ . 1 . 2]" 1
1149 1 56 GLU HG3 1 63 LYS HA 4.710 . 4.710 3.832 3.354 4.097 . 0 0 "[ . 1 . 2]" 1
1150 1 56 GLU HG3 1 63 LYS QB 6.010 . 6.010 4.143 3.843 4.381 . 0 0 "[ . 1 . 2]" 1
1151 1 56 GLU HG3 1 63 LYS QE 5.600 . 5.600 3.002 2.007 3.974 . 0 0 "[ . 1 . 2]" 1
1152 1 56 GLU HG3 1 63 LYS HG3 4.400 . 4.400 2.133 1.903 2.517 . 0 0 "[ . 1 . 2]" 1
1153 1 56 GLU HG3 1 63 LYS HG2 4.810 . 4.810 3.342 2.626 3.612 . 0 0 "[ . 1 . 2]" 1
1154 1 56 GLU HG2 1 57 CYS H 3.680 . 3.680 2.402 2.194 2.551 . 0 0 "[ . 1 . 2]" 1
1155 1 56 GLU HG2 1 61 HIS HA 3.850 . 3.850 3.269 3.179 3.356 . 0 0 "[ . 1 . 2]" 1
1156 1 56 GLU HG2 1 61 HIS QB 6.010 . 6.010 4.717 4.430 5.086 . 0 0 "[ . 1 . 2]" 1
1157 1 56 GLU HG2 1 61 HIS H 5.200 . 5.200 5.063 5.005 5.131 . 0 0 "[ . 1 . 2]" 1
1158 1 56 GLU HG2 1 62 ILE HA 4.950 . 4.950 4.763 4.567 4.968 0.018 7 0 "[ . 1 . 2]" 1
1159 1 56 GLU HG2 1 62 ILE QG 6.220 . 6.220 4.454 4.024 4.638 . 0 0 "[ . 1 . 2]" 1
1160 1 56 GLU HG2 1 63 LYS HA 5.070 . 5.070 4.182 3.971 4.378 . 0 0 "[ . 1 . 2]" 1
1161 1 56 GLU HG2 1 63 LYS QE 5.670 . 5.670 4.049 2.930 4.829 . 0 0 "[ . 1 . 2]" 1
1162 1 56 GLU HG2 1 63 LYS HG2 5.350 . 5.350 4.910 4.085 5.261 . 0 0 "[ . 1 . 2]" 1
1163 1 56 GLU H 1 56 GLU HB3 3.490 . 3.490 2.625 2.558 2.733 . 0 0 "[ . 1 . 2]" 1
1164 1 56 GLU H 1 56 GLU HB2 3.580 . 3.580 2.721 2.658 2.790 . 0 0 "[ . 1 . 2]" 1
1165 1 56 GLU H 1 56 GLU HG3 4.780 . 4.780 4.644 4.585 4.697 . 0 0 "[ . 1 . 2]" 1
1166 1 56 GLU H 1 56 GLU HG2 4.580 . 4.580 4.466 4.434 4.510 . 0 0 "[ . 1 . 2]" 1
1167 1 56 GLU H 1 57 CYS HA 5.180 . 5.180 5.163 5.092 5.192 0.012 2 0 "[ . 1 . 2]" 1
1168 1 56 GLU H 1 57 CYS H 5.130 . 5.130 4.502 4.469 4.541 . 0 0 "[ . 1 . 2]" 1
1169 1 56 GLU H 1 63 LYS HA 5.090 . 5.090 4.287 4.209 4.387 . 0 0 "[ . 1 . 2]" 1
1170 1 57 CYS HA 1 58 ARG HG2 5.500 . 5.500 3.983 3.888 4.049 . 0 0 "[ . 1 . 2]" 1
1171 1 57 CYS HA 1 58 ARG H 2.850 . 2.850 2.180 2.168 2.194 . 0 0 "[ . 1 . 2]" 1
1172 1 57 CYS HA 1 59 ARG QD 6.380 . 6.380 4.331 3.953 4.951 . 0 0 "[ . 1 . 2]" 1
1173 1 57 CYS HA 1 59 ARG H 4.260 . 4.260 3.864 3.819 3.913 . 0 0 "[ . 1 . 2]" 1
1174 1 57 CYS HA 1 62 ILE QG 5.580 . 5.580 3.804 3.660 3.896 . 0 0 "[ . 1 . 2]" 1
1175 1 57 CYS HB3 1 58 ARG H 4.430 . 4.430 4.131 4.042 4.169 . 0 0 "[ . 1 . 2]" 1
1176 1 57 CYS HB3 1 59 ARG QD 6.380 . 6.380 4.960 4.681 5.803 . 0 0 "[ . 1 . 2]" 1
1177 1 57 CYS HB3 1 59 ARG H 4.360 . 4.360 3.363 3.194 3.419 . 0 0 "[ . 1 . 2]" 1
1178 1 57 CYS HB3 1 60 CYS H 3.950 . 3.950 3.660 3.477 3.791 . 0 0 "[ . 1 . 2]" 1
1179 1 57 CYS HB3 1 61 HIS H 3.420 . 3.420 2.714 2.522 2.849 . 0 0 "[ . 1 . 2]" 1
1180 1 57 CYS HB3 1 62 ILE HB 4.710 . 4.710 4.543 4.425 4.716 0.006 11 0 "[ . 1 . 2]" 1
1181 1 57 CYS HB3 1 62 ILE MD 6.000 . 6.000 3.580 3.386 3.849 . 0 0 "[ . 1 . 2]" 1
1182 1 57 CYS HB3 1 62 ILE HG13 5.300 . 5.300 2.210 2.079 2.844 . 0 0 "[ . 1 . 2]" 1
1183 1 57 CYS HB3 1 62 ILE HG12 5.300 . 5.300 2.450 2.053 2.739 . 0 0 "[ . 1 . 2]" 1
1184 1 57 CYS HB3 1 62 ILE QG 5.470 . 5.470 2.029 1.893 2.275 . 0 0 "[ . 1 . 2]" 1
1185 1 57 CYS HB3 1 62 ILE MG 5.010 . 5.010 3.422 3.313 3.468 . 0 0 "[ . 1 . 2]" 1
1186 1 57 CYS HB2 1 58 ARG H 4.470 . 4.470 4.102 4.059 4.178 . 0 0 "[ . 1 . 2]" 1
1187 1 57 CYS HB2 1 59 ARG H 5.190 . 5.190 4.299 4.281 4.322 . 0 0 "[ . 1 . 2]" 1
1188 1 57 CYS HB2 1 60 CYS H 4.670 . 4.670 4.552 4.459 4.617 . 0 0 "[ . 1 . 2]" 1
1189 1 57 CYS HB2 1 61 HIS H 4.790 . 4.790 4.321 4.192 4.486 . 0 0 "[ . 1 . 2]" 1
1190 1 57 CYS HB2 1 62 ILE MD 5.740 . 5.740 2.648 2.407 2.816 . 0 0 "[ . 1 . 2]" 1
1191 1 57 CYS HB2 1 62 ILE HG13 5.140 . 5.140 1.974 1.847 2.074 . 0 0 "[ . 1 . 2]" 1
1192 1 57 CYS HB2 1 62 ILE HG12 5.140 . 5.140 2.514 2.104 2.774 . 0 0 "[ . 1 . 2]" 1
1193 1 57 CYS HB2 1 62 ILE QG 5.340 . 5.340 1.898 1.783 1.949 0.017 11 0 "[ . 1 . 2]" 1
1194 1 57 CYS HB2 1 62 ILE MG 5.790 . 5.790 4.130 3.944 4.228 . 0 0 "[ . 1 . 2]" 1
1195 1 57 CYS H 1 57 CYS HB3 3.260 . 3.260 2.433 2.393 2.539 . 0 0 "[ . 1 . 2]" 1
1196 1 57 CYS H 1 57 CYS HB2 3.230 . 3.230 2.699 2.595 2.754 . 0 0 "[ . 1 . 2]" 1
1197 1 57 CYS H 1 58 ARG H 5.000 . 5.000 4.567 4.546 4.588 . 0 0 "[ . 1 . 2]" 1
1198 1 57 CYS H 1 61 HIS H 4.600 . 4.600 4.609 4.558 4.643 0.043 16 0 "[ . 1 . 2]" 1
1199 1 57 CYS H 1 62 ILE HA 4.310 . 4.310 4.261 4.213 4.302 . 0 0 "[ . 1 . 2]" 1
1200 1 57 CYS H 1 62 ILE MD 5.610 . 5.610 3.910 3.687 4.364 . 0 0 "[ . 1 . 2]" 1
1201 1 57 CYS H 1 62 ILE QG 4.970 . 4.970 2.470 2.173 2.739 . 0 0 "[ . 1 . 2]" 1
1202 1 57 CYS H 1 62 ILE MG 5.610 . 5.610 4.551 4.451 4.604 . 0 0 "[ . 1 . 2]" 1
1203 1 57 CYS H 1 63 LYS HA 4.030 . 4.030 3.565 3.477 3.618 . 0 0 "[ . 1 . 2]" 1
1204 1 57 CYS H 1 63 LYS HG3 4.570 . 4.570 4.253 3.876 4.471 . 0 0 "[ . 1 . 2]" 1
1205 1 58 ARG HA 1 58 ARG HD3 5.500 . 5.500 5.350 5.211 5.442 . 0 0 "[ . 1 . 2]" 1
1206 1 58 ARG HA 1 58 ARG HD2 4.770 . 4.770 4.535 4.513 4.564 . 0 0 "[ . 1 . 2]" 1
1207 1 58 ARG HA 1 58 ARG HG3 3.820 . 3.820 3.742 3.709 3.788 . 0 0 "[ . 1 . 2]" 1
1208 1 58 ARG HA 1 58 ARG HG2 3.960 . 3.960 3.766 3.725 3.800 . 0 0 "[ . 1 . 2]" 1
1209 1 58 ARG HA 1 61 HIS H 4.900 . 4.900 4.458 4.370 4.551 . 0 0 "[ . 1 . 2]" 1
1210 1 58 ARG HB3 1 58 ARG HD3 3.870 . 3.870 3.268 3.044 3.441 . 0 0 "[ . 1 . 2]" 1
1211 1 58 ARG HB3 1 58 ARG HD2 3.810 . 3.810 2.393 2.271 2.502 . 0 0 "[ . 1 . 2]" 1
1212 1 58 ARG HB2 1 58 ARG HD3 3.830 . 3.830 3.669 3.559 3.781 . 0 0 "[ . 1 . 2]" 1
1213 1 58 ARG HB2 1 58 ARG HD2 3.910 . 3.910 2.475 2.336 2.731 . 0 0 "[ . 1 . 2]" 1
1214 1 58 ARG HB2 1 59 ARG QD 6.380 . 6.380 4.932 3.675 5.492 . 0 0 "[ . 1 . 2]" 1
1215 1 58 ARG HB2 1 59 ARG H 4.820 . 4.820 4.486 4.469 4.501 . 0 0 "[ . 1 . 2]" 1
1216 1 58 ARG HD3 1 59 ARG QG 6.220 . 6.220 4.894 4.637 5.394 . 0 0 "[ . 1 . 2]" 1
1217 1 58 ARG HG3 1 59 ARG HA 4.930 . 4.930 4.276 4.203 4.399 . 0 0 "[ . 1 . 2]" 1
1218 1 58 ARG HG3 1 59 ARG H 4.730 . 4.730 4.121 4.053 4.203 . 0 0 "[ . 1 . 2]" 1
1219 1 58 ARG HG2 1 59 ARG HA 5.500 . 5.500 5.417 5.319 5.501 0.001 7 0 "[ . 1 . 2]" 1
1220 1 58 ARG HG2 1 59 ARG QD 5.460 . 5.460 3.056 2.343 3.492 . 0 0 "[ . 1 . 2]" 1
1221 1 58 ARG HG2 1 59 ARG QG 5.670 . 5.670 3.448 3.225 4.291 . 0 0 "[ . 1 . 2]" 1
1222 1 58 ARG HG2 1 59 ARG H 4.560 . 4.560 4.243 4.141 4.341 . 0 0 "[ . 1 . 2]" 1
1223 1 58 ARG H 1 58 ARG HB3 3.240 . 3.240 2.785 2.746 2.839 . 0 0 "[ . 1 . 2]" 1
1224 1 58 ARG H 1 58 ARG HB2 3.850 . 3.850 3.667 3.660 3.677 . 0 0 "[ . 1 . 2]" 1
1225 1 58 ARG H 1 58 ARG HD3 4.760 . 4.760 4.193 4.031 4.305 . 0 0 "[ . 1 . 2]" 1
1226 1 58 ARG H 1 58 ARG HD2 4.550 . 4.550 4.404 4.176 4.538 . 0 0 "[ . 1 . 2]" 1
1227 1 58 ARG H 1 58 ARG HG3 3.930 . 3.930 3.143 3.074 3.210 . 0 0 "[ . 1 . 2]" 1
1228 1 58 ARG H 1 58 ARG HG2 3.340 . 3.340 2.065 1.973 2.140 . 0 0 "[ . 1 . 2]" 1
1229 1 58 ARG H 1 60 CYS H 5.500 . 5.500 5.074 4.965 5.157 . 0 0 "[ . 1 . 2]" 1
1230 1 59 ARG HA 1 81 VAL MG1 6.160 . 6.160 4.872 4.621 5.013 . 0 0 "[ . 1 . 2]" 1
1231 1 59 ARG HA 1 81 VAL MG2 6.160 . 6.160 3.217 3.131 3.396 . 0 0 "[ . 1 . 2]" 1
1232 1 59 ARG HA 1 81 VAL QG 5.760 . 5.760 3.173 3.096 3.327 . 0 0 "[ . 1 . 2]" 1
1233 1 59 ARG HB3 1 60 CYS HA 5.110 . 5.110 4.464 4.191 5.040 . 0 0 "[ . 1 . 2]" 1
1234 1 59 ARG HB3 1 60 CYS H 3.730 . 3.730 3.009 2.716 3.518 . 0 0 "[ . 1 . 2]" 1
1235 1 59 ARG HB3 1 61 HIS H 5.410 . 5.410 4.965 4.760 5.304 . 0 0 "[ . 1 . 2]" 1
1236 1 59 ARG HB3 1 81 VAL MG1 5.520 . 5.520 4.143 3.931 4.470 . 0 0 "[ . 1 . 2]" 1
1237 1 59 ARG HB3 1 81 VAL MG2 5.520 . 5.520 1.890 1.832 2.128 . 0 0 "[ . 1 . 2]" 1
1238 1 59 ARG HB3 1 81 VAL QG 5.480 . 5.480 1.887 1.829 2.124 . 0 0 "[ . 1 . 2]" 1
1239 1 59 ARG HB2 1 60 CYS HA 5.500 . 5.500 4.364 3.981 4.521 . 0 0 "[ . 1 . 2]" 1
1240 1 59 ARG HB2 1 60 CYS HB3 5.140 . 5.140 3.798 3.385 3.977 . 0 0 "[ . 1 . 2]" 1
1241 1 59 ARG HB2 1 60 CYS HB2 5.370 . 5.370 5.235 4.911 5.392 0.022 16 0 "[ . 1 . 2]" 1
1242 1 59 ARG HB2 1 60 CYS H 3.270 . 3.270 1.912 1.865 1.967 . 0 0 "[ . 1 . 2]" 1
1243 1 59 ARG HB2 1 61 HIS H 4.200 . 4.200 3.953 3.881 4.149 . 0 0 "[ . 1 . 2]" 1
1244 1 59 ARG HB2 1 81 VAL MG1 5.810 . 5.810 4.474 3.744 4.757 . 0 0 "[ . 1 . 2]" 1
1245 1 59 ARG HB2 1 81 VAL MG2 5.810 . 5.810 2.573 1.889 2.842 . 0 0 "[ . 1 . 2]" 1
1246 1 59 ARG HB2 1 81 VAL QG 5.420 . 5.420 2.557 1.884 2.821 . 0 0 "[ . 1 . 2]" 1
1247 1 59 ARG QD 1 60 CYS H 5.970 . 5.970 3.632 3.420 4.545 . 0 0 "[ . 1 . 2]" 1
1248 1 59 ARG QD 1 81 VAL QG 7.090 . 7.090 3.708 3.405 4.132 . 0 0 "[ . 1 . 2]" 1
1249 1 59 ARG QG 1 60 CYS H 4.790 . 4.790 3.866 2.960 4.013 . 0 0 "[ . 1 . 2]" 1
1250 1 59 ARG QG 1 81 VAL QG 6.910 . 6.910 3.296 3.116 3.357 . 0 0 "[ . 1 . 2]" 1
1251 1 59 ARG H 1 59 ARG HB3 4.020 . 4.020 3.854 3.797 3.872 . 0 0 "[ . 1 . 2]" 1
1252 1 59 ARG H 1 59 ARG HB2 3.270 . 3.270 2.828 2.691 3.244 . 0 0 "[ . 1 . 2]" 1
1253 1 59 ARG H 1 59 ARG QD 5.430 . 5.430 3.414 2.825 3.720 . 0 0 "[ . 1 . 2]" 1
1254 1 59 ARG H 1 59 ARG QG 4.300 . 4.300 3.055 2.234 3.727 . 0 0 "[ . 1 . 2]" 1
1255 1 59 ARG H 1 60 CYS HA 4.850 . 4.850 4.774 4.740 4.816 . 0 0 "[ . 1 . 2]" 1
1256 1 59 ARG H 1 60 CYS HB3 5.390 . 5.390 5.289 5.223 5.332 . 0 0 "[ . 1 . 2]" 1
1257 1 59 ARG H 1 60 CYS H 3.150 . 3.150 2.661 2.591 2.745 . 0 0 "[ . 1 . 2]" 1
1258 1 59 ARG H 1 61 HIS H 3.820 . 3.820 2.473 2.438 2.529 . 0 0 "[ . 1 . 2]" 1
1259 1 59 ARG H 1 81 VAL QG 6.660 . 6.660 4.196 4.090 4.269 . 0 0 "[ . 1 . 2]" 1
1260 1 60 CYS HA 1 62 ILE MG 5.950 . 5.950 4.732 4.659 4.781 . 0 0 "[ . 1 . 2]" 1
1261 1 60 CYS HA 1 81 VAL HA 5.500 . 5.500 5.498 5.439 5.527 0.027 5 0 "[ . 1 . 2]" 1
1262 1 60 CYS HA 1 81 VAL HB 4.380 . 4.380 4.255 4.103 4.388 0.008 13 0 "[ . 1 . 2]" 1
1263 1 60 CYS HA 1 81 VAL MG1 4.130 . 4.130 2.000 1.920 2.166 . 0 0 "[ . 1 . 2]" 1
1264 1 60 CYS HA 1 81 VAL MG2 4.130 . 4.130 2.687 2.395 2.883 . 0 0 "[ . 1 . 2]" 1
1265 1 60 CYS HA 1 81 VAL QG 4.710 . 4.710 1.944 1.893 2.078 . 0 0 "[ . 1 . 2]" 1
1266 1 60 CYS HA 1 81 VAL H 4.890 . 4.890 4.418 4.237 4.645 . 0 0 "[ . 1 . 2]" 1
1267 1 60 CYS HB3 1 61 HIS H 4.410 . 4.410 4.261 4.194 4.313 . 0 0 "[ . 1 . 2]" 1
1268 1 60 CYS HB3 1 80 LYS H 4.640 . 4.640 3.170 2.995 3.337 . 0 0 "[ . 1 . 2]" 1
1269 1 60 CYS HB3 1 81 VAL HA 5.270 . 5.270 4.598 4.500 4.711 . 0 0 "[ . 1 . 2]" 1
1270 1 60 CYS HB3 1 81 VAL HB 4.610 . 4.610 4.278 4.159 4.401 . 0 0 "[ . 1 . 2]" 1
1271 1 60 CYS HB3 1 81 VAL MG1 4.460 . 4.460 2.004 1.923 2.374 . 0 0 "[ . 1 . 2]" 1
1272 1 60 CYS HB3 1 81 VAL MG2 4.460 . 4.460 1.926 1.873 1.978 . 0 0 "[ . 1 . 2]" 1
1273 1 60 CYS HB3 1 81 VAL QG 4.990 . 4.990 1.745 1.695 1.855 0.105 15 0 "[ . 1 . 2]" 1
1274 1 60 CYS HB3 1 81 VAL H 3.900 . 3.900 2.414 2.182 2.634 . 0 0 "[ . 1 . 2]" 1
1275 1 60 CYS HB2 1 81 VAL HB 5.500 . 5.500 5.257 5.114 5.423 . 0 0 "[ . 1 . 2]" 1
1276 1 60 CYS HB2 1 81 VAL MG1 4.970 . 4.970 2.382 2.308 2.590 . 0 0 "[ . 1 . 2]" 1
1277 1 60 CYS HB2 1 81 VAL MG2 4.970 . 4.970 3.374 3.233 3.452 . 0 0 "[ . 1 . 2]" 1
1278 1 60 CYS HB2 1 81 VAL QG 5.120 . 5.120 2.335 2.266 2.507 . 0 0 "[ . 1 . 2]" 1
1279 1 60 CYS HB2 1 81 VAL H 4.860 . 4.860 3.642 3.458 3.866 . 0 0 "[ . 1 . 2]" 1
1280 1 60 CYS H 1 60 CYS HB3 3.600 . 3.600 2.643 2.596 2.682 . 0 0 "[ . 1 . 2]" 1
1281 1 60 CYS H 1 61 HIS HA 4.720 . 4.720 4.654 4.613 4.724 0.004 16 0 "[ . 1 . 2]" 1
1282 1 60 CYS H 1 61 HIS H 3.060 . 3.060 2.413 2.343 2.486 . 0 0 "[ . 1 . 2]" 1
1283 1 60 CYS H 1 81 VAL QG 6.180 . 6.180 2.502 2.364 2.594 . 0 0 "[ . 1 . 2]" 1
1284 1 61 HIS H 1 61 HIS HA 2.780 . 2.780 2.270 2.264 2.282 . 0 0 "[ . 1 . 2]" 1
1285 1 61 HIS H 1 62 ILE MG 5.530 . 5.530 3.828 3.725 3.919 . 0 0 "[ . 1 . 2]" 1
1286 1 61 HIS H 1 81 VAL QG 6.880 . 6.880 4.022 3.959 4.076 . 0 0 "[ . 1 . 2]" 1
1287 1 62 ILE HA 1 62 ILE HG13 4.070 . 4.070 3.548 3.529 3.613 . 0 0 "[ . 1 . 2]" 1
1288 1 62 ILE HA 1 62 ILE HG12 4.070 . 4.070 3.996 3.865 4.079 0.009 12 0 "[ . 1 . 2]" 1
1289 1 62 ILE HA 1 63 LYS QB 5.820 . 5.820 4.554 4.466 4.649 . 0 0 "[ . 1 . 2]" 1
1290 1 62 ILE HA 1 63 LYS HG3 5.000 . 5.000 4.129 3.606 4.583 . 0 0 "[ . 1 . 2]" 1
1291 1 62 ILE HA 1 63 LYS HG2 5.500 . 5.500 5.374 4.938 5.512 0.012 8 0 "[ . 1 . 2]" 1
1292 1 62 ILE MD 1 79 CYS HA 6.040 . 6.040 4.510 4.105 4.772 . 0 0 "[ . 1 . 2]" 1
1293 1 62 ILE MG 1 63 LYS HA 6.520 . 6.520 5.514 5.396 5.543 . 0 0 "[ . 1 . 2]" 1
1294 1 62 ILE MG 1 79 CYS HA 6.520 . 6.520 5.278 5.140 5.304 . 0 0 "[ . 1 . 2]" 1
1295 1 63 LYS HA 1 63 LYS HE3 5.500 . 5.500 5.007 3.921 5.513 0.013 16 0 "[ . 1 . 2]" 1
1296 1 63 LYS HA 1 63 LYS HE2 5.500 . 5.500 4.977 3.778 5.508 0.008 18 0 "[ . 1 . 2]" 1
1297 1 63 LYS HA 1 63 LYS QE 5.700 . 5.700 4.353 3.660 4.843 . 0 0 "[ . 1 . 2]" 1
1298 1 63 LYS HA 1 63 LYS HG3 3.750 . 3.750 2.594 2.524 2.719 . 0 0 "[ . 1 . 2]" 1
1299 1 63 LYS HA 1 63 LYS HG2 3.870 . 3.870 3.644 3.282 3.726 . 0 0 "[ . 1 . 2]" 1
1300 1 63 LYS HA 1 64 CYS H 2.660 . 2.660 2.236 2.208 2.261 . 0 0 "[ . 1 . 2]" 1
1301 1 63 LYS QB 1 64 CYS HA 5.430 . 5.430 3.938 3.918 3.974 . 0 0 "[ . 1 . 2]" 1
1302 1 63 LYS QB 1 64 CYS HB3 6.380 . 6.380 5.557 4.894 5.769 . 0 0 "[ . 1 . 2]" 1
1303 1 63 LYS QB 1 64 CYS HB2 6.380 . 6.380 5.269 5.035 5.757 . 0 0 "[ . 1 . 2]" 1
1304 1 63 LYS QB 1 64 CYS H 4.120 . 4.120 2.750 2.668 2.842 . 0 0 "[ . 1 . 2]" 1
1305 1 63 LYS HE3 1 63 LYS HG2 4.220 . 4.220 3.379 2.776 4.134 . 0 0 "[ . 1 . 2]" 1
1306 1 63 LYS HE2 1 63 LYS HG2 4.220 . 4.220 2.745 2.072 3.693 . 0 0 "[ . 1 . 2]" 1
1307 1 64 CYS HA 1 65 HIS HA 5.060 . 5.060 4.390 4.354 4.422 . 0 0 "[ . 1 . 2]" 1
1308 1 64 CYS HA 1 65 HIS QB 5.500 . 5.500 4.845 4.814 4.884 . 0 0 "[ . 1 . 2]" 1
1309 1 64 CYS HA 1 65 HIS H 3.130 . 3.130 2.155 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
1310 1 64 CYS HB3 1 76 ILE MD 5.500 . 5.500 3.824 3.398 4.368 . 0 0 "[ . 1 . 2]" 1
1311 1 64 CYS HB3 1 76 ILE MG 6.520 . 6.520 4.649 4.435 4.973 . 0 0 "[ . 1 . 2]" 1
1312 1 64 CYS HB2 1 76 ILE MD 5.500 . 5.500 4.066 3.303 4.377 . 0 0 "[ . 1 . 2]" 1
1313 1 64 CYS HB2 1 76 ILE MG 6.520 . 6.520 4.632 4.358 4.866 . 0 0 "[ . 1 . 2]" 1
1314 1 64 CYS QB 1 65 HIS H 4.370 . 4.370 3.338 3.140 3.476 . 0 0 "[ . 1 . 2]" 1
1315 1 64 CYS QB 1 69 MET ME 7.240 . 7.240 4.885 4.361 5.315 . 0 0 "[ . 1 . 2]" 1
1316 1 64 CYS QB 1 76 ILE MD 5.720 . 5.720 3.403 3.207 3.784 . 0 0 "[ . 1 . 2]" 1
1317 1 64 CYS QB 1 76 ILE HG12 5.290 . 5.290 3.830 3.508 4.174 . 0 0 "[ . 1 . 2]" 1
1318 1 64 CYS H 1 65 HIS HA 5.140 . 5.140 4.618 4.592 4.688 . 0 0 "[ . 1 . 2]" 1
1319 1 64 CYS H 1 65 HIS H 4.970 . 4.970 4.000 3.850 4.136 . 0 0 "[ . 1 . 2]" 1
1320 1 65 HIS HA 1 66 LYS H 2.940 . 2.940 2.154 2.139 2.167 . 0 0 "[ . 1 . 2]" 1
1321 1 65 HIS HA 1 67 ASP QB 5.990 . 5.990 4.706 4.547 4.899 . 0 0 "[ . 1 . 2]" 1
1322 1 65 HIS HA 1 67 ASP H 4.100 . 4.100 3.709 3.663 3.748 . 0 0 "[ . 1 . 2]" 1
1323 1 65 HIS HA 1 68 HIS H 4.680 . 4.680 4.736 4.724 4.749 0.069 8 0 "[ . 1 . 2]" 1
1324 1 65 HIS QB 1 66 LYS H 3.830 . 3.830 3.024 2.983 3.073 . 0 0 "[ . 1 . 2]" 1
1325 1 65 HIS QB 1 67 ASP QB 4.520 . 4.520 2.171 2.052 2.547 . 0 0 "[ . 1 . 2]" 1
1326 1 65 HIS QB 1 67 ASP H 3.190 . 3.190 2.383 2.364 2.398 . 0 0 "[ . 1 . 2]" 1
1327 1 65 HIS QB 1 68 HIS H . . 3.540 2.671 2.654 2.685 . 0 0 "[ . 1 . 2]" 1
1328 1 65 HIS H 1 65 HIS QB . . 3.640 3.004 2.985 3.023 . 0 0 "[ . 1 . 2]" 1
1329 1 66 LYS HA 1 66 LYS QD 5.130 . 5.130 3.402 3.202 3.644 . 0 0 "[ . 1 . 2]" 1
1330 1 66 LYS HA 1 66 LYS HE3 5.300 . 5.300 4.117 3.149 4.974 . 0 0 "[ . 1 . 2]" 1
1331 1 66 LYS HA 1 66 LYS HE2 5.300 . 5.300 3.986 3.157 4.933 . 0 0 "[ . 1 . 2]" 1
1332 1 66 LYS HA 1 66 LYS QE 5.300 . 5.300 3.479 3.070 3.960 . 0 0 "[ . 1 . 2]" 1
1333 1 66 LYS HA 1 66 LYS HG3 3.660 . 3.660 2.571 2.528 2.623 . 0 0 "[ . 1 . 2]" 1
1334 1 66 LYS HA 1 66 LYS HG2 4.140 . 4.140 3.739 3.687 3.778 . 0 0 "[ . 1 . 2]" 1
1335 1 66 LYS HA 1 68 HIS H 4.360 . 4.360 4.254 4.190 4.286 . 0 0 "[ . 1 . 2]" 1
1336 1 66 LYS HA 1 69 MET HB3 4.680 . 4.680 3.326 3.090 3.483 . 0 0 "[ . 1 . 2]" 1
1337 1 66 LYS HA 1 69 MET HB2 5.090 . 5.090 4.017 3.842 4.212 . 0 0 "[ . 1 . 2]" 1
1338 1 66 LYS HA 1 69 MET H 4.110 . 4.110 3.527 3.440 3.618 . 0 0 "[ . 1 . 2]" 1
1339 1 66 LYS HA 1 70 ASP H 4.840 . 4.840 4.216 4.061 4.364 . 0 0 "[ . 1 . 2]" 1
1340 1 66 LYS HB3 1 66 LYS QE 4.940 . 4.940 4.220 4.063 4.372 . 0 0 "[ . 1 . 2]" 1
1341 1 66 LYS HB3 1 67 ASP H 3.350 . 3.350 2.855 2.836 2.883 . 0 0 "[ . 1 . 2]" 1
1342 1 66 LYS HB3 1 68 HIS H 5.500 . 5.500 5.392 5.359 5.438 . 0 0 "[ . 1 . 2]" 1
1343 1 66 LYS HB2 1 66 LYS HE3 4.790 . 4.790 3.824 3.271 4.325 . 0 0 "[ . 1 . 2]" 1
1344 1 66 LYS HB2 1 66 LYS HE2 4.790 . 4.790 4.003 3.499 4.415 . 0 0 "[ . 1 . 2]" 1
1345 1 66 LYS HB2 1 66 LYS QE 4.970 . 4.970 3.444 3.079 3.771 . 0 0 "[ . 1 . 2]" 1
1346 1 66 LYS HB2 1 67 ASP H 4.380 . 4.380 4.040 4.016 4.082 . 0 0 "[ . 1 . 2]" 1
1347 1 66 LYS HE3 1 66 LYS HG3 4.020 . 4.020 3.021 2.096 3.536 . 0 0 "[ . 1 . 2]" 1
1348 1 66 LYS HE2 1 66 LYS HG3 4.020 . 4.020 2.185 1.973 2.830 . 0 0 "[ . 1 . 2]" 1
1349 1 66 LYS HG3 1 67 ASP HA 5.200 . 5.200 4.369 4.277 4.520 . 0 0 "[ . 1 . 2]" 1
1350 1 66 LYS HG3 1 67 ASP H 4.470 . 4.470 4.223 4.167 4.311 . 0 0 "[ . 1 . 2]" 1
1351 1 66 LYS HG3 1 68 HIS H 5.500 . 5.500 5.511 5.497 5.521 0.021 20 0 "[ . 1 . 2]" 1
1352 1 66 LYS HG3 1 69 MET HB3 4.350 . 4.350 3.216 3.016 3.525 . 0 0 "[ . 1 . 2]" 1
1353 1 66 LYS HG3 1 69 MET H 5.140 . 5.140 4.447 4.295 4.631 . 0 0 "[ . 1 . 2]" 1
1354 1 66 LYS HG3 1 70 ASP H 5.050 . 5.050 3.357 3.156 3.516 . 0 0 "[ . 1 . 2]" 1
1355 1 66 LYS HG2 1 67 ASP HA 4.940 . 4.940 4.320 4.177 4.459 . 0 0 "[ . 1 . 2]" 1
1356 1 66 LYS H 1 66 LYS HB3 3.140 . 3.140 2.477 2.414 2.503 . 0 0 "[ . 1 . 2]" 1
1357 1 66 LYS H 1 66 LYS HB2 3.310 . 3.310 2.571 2.551 2.629 . 0 0 "[ . 1 . 2]" 1
1358 1 66 LYS H 1 67 ASP QB 5.600 . 5.600 4.492 4.282 4.699 . 0 0 "[ . 1 . 2]" 1
1359 1 66 LYS H 1 67 ASP H 3.480 . 3.480 2.652 2.619 2.663 . 0 0 "[ . 1 . 2]" 1
1360 1 66 LYS H 1 68 HIS H 4.770 . 4.770 4.578 4.548 4.605 . 0 0 "[ . 1 . 2]" 1
1361 1 67 ASP HA 1 70 ASP HB3 3.480 . 3.480 3.072 2.882 3.275 . 0 0 "[ . 1 . 2]" 1
1362 1 67 ASP HA 1 70 ASP HB2 3.190 . 3.190 3.005 2.855 3.114 . 0 0 "[ . 1 . 2]" 1
1363 1 67 ASP HA 1 70 ASP H 3.740 . 3.740 3.534 3.456 3.601 . 0 0 "[ . 1 . 2]" 1
1364 1 67 ASP HA 1 71 LYS QE 5.350 . 5.350 4.145 3.701 4.461 . 0 0 "[ . 1 . 2]" 1
1365 1 67 ASP QB 1 68 HIS HA 5.110 . 5.110 3.852 3.710 4.630 . 0 0 "[ . 1 . 2]" 1
1366 1 67 ASP QB 1 68 HIS H 4.150 . 4.150 2.612 2.477 3.268 . 0 0 "[ . 1 . 2]" 1
1367 1 67 ASP QB 1 69 MET H 6.380 . 6.380 4.824 4.645 5.273 . 0 0 "[ . 1 . 2]" 1
1368 1 67 ASP QB 1 70 ASP HB3 5.770 . 5.770 4.829 4.546 5.096 . 0 0 "[ . 1 . 2]" 1
1369 1 67 ASP QB 1 70 ASP HB2 5.770 . 5.770 5.020 4.717 5.189 . 0 0 "[ . 1 . 2]" 1
1370 1 67 ASP QB 1 70 ASP H 5.960 . 5.960 5.012 4.911 5.110 . 0 0 "[ . 1 . 2]" 1
1371 1 67 ASP QB 1 71 LYS QD 6.300 . 6.300 4.387 3.917 4.741 . 0 0 "[ . 1 . 2]" 1
1372 1 67 ASP QB 1 71 LYS QE 5.520 . 5.520 3.683 3.298 4.373 . 0 0 "[ . 1 . 2]" 1
1373 1 67 ASP QB 1 71 LYS HG3 5.600 . 5.600 3.012 2.800 3.655 . 0 0 "[ . 1 . 2]" 1
1374 1 67 ASP QB 1 71 LYS HG2 5.250 . 5.250 3.972 3.633 4.696 . 0 0 "[ . 1 . 2]" 1
1375 1 67 ASP H 1 67 ASP QB 3.670 . 3.670 2.270 2.046 2.479 . 0 0 "[ . 1 . 2]" 1
1376 1 67 ASP H 1 68 HIS H 3.520 . 3.520 2.927 2.903 2.948 . 0 0 "[ . 1 . 2]" 1
1377 1 67 ASP H 1 69 MET H 4.630 . 4.630 4.522 4.331 4.637 0.007 4 0 "[ . 1 . 2]" 1
1378 1 68 HIS HA 1 70 ASP H 4.940 . 4.940 4.807 4.676 4.944 0.004 13 0 "[ . 1 . 2]" 1
1379 1 68 HIS HA 1 71 LYS HB3 5.020 . 5.020 4.577 4.417 4.735 . 0 0 "[ . 1 . 2]" 1
1380 1 68 HIS HA 1 71 LYS HB2 3.990 . 3.990 2.908 2.756 3.037 . 0 0 "[ . 1 . 2]" 1
1381 1 68 HIS HA 1 71 LYS H 3.990 . 3.990 3.671 3.585 3.765 . 0 0 "[ . 1 . 2]" 1
1382 1 68 HIS HA 1 72 LYS H 5.220 . 5.220 4.295 4.123 4.443 . 0 0 "[ . 1 . 2]" 1
1383 1 68 HIS HA 1 73 GLU QB 4.720 . 4.720 3.398 3.076 3.699 . 0 0 "[ . 1 . 2]" 1
1384 1 68 HIS HA 1 73 GLU HG3 4.240 . 4.240 2.262 1.981 2.498 . 0 0 "[ . 1 . 2]" 1
1385 1 68 HIS HA 1 73 GLU HG2 4.220 . 4.220 3.970 3.698 4.204 . 0 0 "[ . 1 . 2]" 1
1386 1 68 HIS HA 1 73 GLU H 4.190 . 4.190 3.748 3.500 4.081 . 0 0 "[ . 1 . 2]" 1
1387 1 68 HIS HA 1 75 ILE MD 5.930 . 5.930 3.979 3.786 4.167 . 0 0 "[ . 1 . 2]" 1
1388 1 68 HIS HA 1 76 ILE MD 5.380 . 5.380 3.878 3.689 4.129 . 0 0 "[ . 1 . 2]" 1
1389 1 68 HIS HB3 1 69 MET ME 6.310 . 6.310 4.708 4.114 5.087 . 0 0 "[ . 1 . 2]" 1
1390 1 68 HIS HB3 1 69 MET H 4.040 . 4.040 3.342 3.231 3.520 . 0 0 "[ . 1 . 2]" 1
1391 1 68 HIS HB3 1 72 LYS H 5.500 . 5.500 5.183 4.969 5.334 . 0 0 "[ . 1 . 2]" 1
1392 1 68 HIS HB3 1 73 GLU QB 4.900 . 4.900 3.107 2.854 3.322 . 0 0 "[ . 1 . 2]" 1
1393 1 68 HIS HB3 1 73 GLU H 4.870 . 4.870 3.915 3.670 4.158 . 0 0 "[ . 1 . 2]" 1
1394 1 68 HIS HB3 1 75 ILE MD 5.650 . 5.650 3.451 3.179 3.643 . 0 0 "[ . 1 . 2]" 1
1395 1 68 HIS HB3 1 76 ILE MD 4.790 . 4.790 1.966 1.862 2.165 . 0 0 "[ . 1 . 2]" 1
1396 1 68 HIS HB3 1 76 ILE HG13 4.980 . 4.980 3.050 2.931 3.188 . 0 0 "[ . 1 . 2]" 1
1397 1 68 HIS HB3 1 76 ILE HG12 5.220 . 5.220 3.317 3.105 3.519 . 0 0 "[ . 1 . 2]" 1
1398 1 68 HIS HB2 1 69 MET H 3.580 . 3.580 2.599 2.495 2.740 . 0 0 "[ . 1 . 2]" 1
1399 1 68 HIS HB2 1 70 ASP H 5.310 . 5.310 5.156 4.958 5.316 0.006 19 0 "[ . 1 . 2]" 1
1400 1 68 HIS HB2 1 73 GLU QB 5.850 . 5.850 4.685 4.432 4.909 . 0 0 "[ . 1 . 2]" 1
1401 1 68 HIS HB2 1 73 GLU H 5.500 . 5.500 5.361 5.166 5.504 0.004 11 0 "[ . 1 . 2]" 1
1402 1 68 HIS HB2 1 75 ILE MD 6.000 . 6.000 4.427 4.153 4.602 . 0 0 "[ . 1 . 2]" 1
1403 1 68 HIS HB2 1 76 ILE MD 4.670 . 4.670 2.681 2.401 2.976 . 0 0 "[ . 1 . 2]" 1
1404 1 68 HIS HB2 1 76 ILE HG13 5.290 . 5.290 4.507 4.362 4.677 . 0 0 "[ . 1 . 2]" 1
1405 1 68 HIS HB2 1 76 ILE HG12 5.120 . 5.120 4.172 4.061 4.295 . 0 0 "[ . 1 . 2]" 1
1406 1 68 HIS H 1 68 HIS HB3 3.730 . 3.730 3.630 3.625 3.633 . 0 0 "[ . 1 . 2]" 1
1407 1 68 HIS H 1 68 HIS HB2 3.730 . 3.730 2.425 2.406 2.437 . 0 0 "[ . 1 . 2]" 1
1408 1 68 HIS H 1 69 MET HB3 5.350 . 5.350 5.064 4.930 5.176 . 0 0 "[ . 1 . 2]" 1
1409 1 68 HIS H 1 69 MET H 3.020 . 3.020 2.877 2.791 2.948 . 0 0 "[ . 1 . 2]" 1
1410 1 68 HIS H 1 70 ASP H 4.500 . 4.500 4.375 4.211 4.484 . 0 0 "[ . 1 . 2]" 1
1411 1 68 HIS H 1 71 LYS HB2 5.190 . 5.190 5.052 4.918 5.185 . 0 0 "[ . 1 . 2]" 1
1412 1 68 HIS H 1 71 LYS H 5.090 . 5.090 4.708 4.616 4.783 . 0 0 "[ . 1 . 2]" 1
1413 1 68 HIS H 1 76 ILE MD 6.340 . 6.340 4.625 4.455 4.821 . 0 0 "[ . 1 . 2]" 1
1414 1 69 MET HA 1 69 MET ME 4.780 . 4.780 2.623 1.861 3.168 . 0 0 "[ . 1 . 2]" 1
1415 1 69 MET HA 1 73 GLU H 4.610 . 4.610 4.011 3.724 4.292 . 0 0 "[ . 1 . 2]" 1
1416 1 69 MET HA 1 76 ILE MD 4.720 . 4.720 2.960 2.764 3.081 . 0 0 "[ . 1 . 2]" 1
1417 1 69 MET HB3 1 70 ASP H 3.300 . 3.300 2.408 2.315 2.527 . 0 0 "[ . 1 . 2]" 1
1418 1 69 MET HB3 1 76 ILE MD 5.740 . 5.740 4.634 4.417 4.736 . 0 0 "[ . 1 . 2]" 1
1419 1 69 MET HB2 1 69 MET ME 4.360 . 4.360 1.963 1.908 2.176 . 0 0 "[ . 1 . 2]" 1
1420 1 69 MET HB2 1 70 ASP H 3.980 . 3.980 3.778 3.717 3.826 . 0 0 "[ . 1 . 2]" 1
1421 1 69 MET HB2 1 76 ILE MD 5.350 . 5.350 3.474 3.213 3.626 . 0 0 "[ . 1 . 2]" 1
1422 1 69 MET HB2 1 76 ILE MG 6.520 . 6.520 5.208 4.973 5.301 . 0 0 "[ . 1 . 2]" 1
1423 1 69 MET ME 1 76 ILE MD 5.290 . 5.290 2.440 1.843 2.681 . 0 0 "[ . 1 . 2]" 1
1424 1 69 MET QG 1 70 ASP H 4.760 . 4.760 3.419 3.193 3.641 . 0 0 "[ . 1 . 2]" 1
1425 1 69 MET QG 1 76 ILE MD 6.440 . 6.440 4.650 4.254 4.823 . 0 0 "[ . 1 . 2]" 1
1426 1 69 MET H 1 69 MET HB3 3.010 . 3.010 2.506 2.398 2.597 . 0 0 "[ . 1 . 2]" 1
1427 1 69 MET H 1 69 MET HB2 3.060 . 3.060 2.552 2.465 2.678 . 0 0 "[ . 1 . 2]" 1
1428 1 69 MET H 1 69 MET QG 5.130 . 5.130 4.019 3.982 4.053 . 0 0 "[ . 1 . 2]" 1
1429 1 69 MET H 1 70 ASP HB3 5.500 . 5.500 5.465 5.319 5.505 0.005 17 0 "[ . 1 . 2]" 1
1430 1 69 MET H 1 70 ASP HB2 4.640 . 4.640 4.611 4.558 4.645 0.005 2 0 "[ . 1 . 2]" 1
1431 1 69 MET H 1 70 ASP H 2.860 . 2.860 2.717 2.664 2.766 . 0 0 "[ . 1 . 2]" 1
1432 1 69 MET H 1 71 LYS H 4.210 . 4.210 3.917 3.831 3.978 . 0 0 "[ . 1 . 2]" 1
1433 1 69 MET H 1 72 LYS H 4.960 . 4.960 4.510 4.411 4.633 . 0 0 "[ . 1 . 2]" 1
1434 1 69 MET H 1 73 GLU QG 6.380 . 6.380 5.247 5.045 5.384 . 0 0 "[ . 1 . 2]" 1
1435 1 69 MET H 1 76 ILE MD 5.180 . 5.180 3.402 3.127 3.559 . 0 0 "[ . 1 . 2]" 1
1436 1 70 ASP HB3 1 71 LYS HG3 5.070 . 5.070 4.316 4.062 4.574 . 0 0 "[ . 1 . 2]" 1
1437 1 70 ASP HB3 1 71 LYS HG2 4.930 . 4.930 2.975 2.780 3.174 . 0 0 "[ . 1 . 2]" 1
1438 1 70 ASP HB3 1 71 LYS H 3.490 . 3.490 3.017 2.902 3.145 . 0 0 "[ . 1 . 2]" 1
1439 1 70 ASP HB3 1 72 LYS H 5.370 . 5.370 4.987 4.930 5.053 . 0 0 "[ . 1 . 2]" 1
1440 1 70 ASP HB2 1 71 LYS HG3 5.500 . 5.500 5.404 5.196 5.504 0.004 18 0 "[ . 1 . 2]" 1
1441 1 70 ASP HB2 1 71 LYS HG2 4.790 . 4.790 4.411 4.127 4.688 . 0 0 "[ . 1 . 2]" 1
1442 1 70 ASP HB2 1 71 LYS H 3.730 . 3.730 3.596 3.555 3.642 . 0 0 "[ . 1 . 2]" 1
1443 1 70 ASP HB2 1 72 LYS H 5.380 . 5.380 5.362 5.297 5.388 0.008 17 0 "[ . 1 . 2]" 1
1444 1 70 ASP H 1 70 ASP HA 2.800 . 2.800 2.791 2.776 2.812 0.012 17 0 "[ . 1 . 2]" 1
1445 1 70 ASP H 1 70 ASP HB3 3.220 . 3.220 3.073 3.025 3.117 . 0 0 "[ . 1 . 2]" 1
1446 1 70 ASP H 1 70 ASP HB2 3.050 . 3.050 2.114 2.095 2.137 . 0 0 "[ . 1 . 2]" 1
1447 1 71 LYS HA 1 71 LYS QD 4.200 . 4.200 2.845 2.577 3.182 . 0 0 "[ . 1 . 2]" 1
1448 1 71 LYS HA 1 71 LYS QE 4.810 . 4.810 3.799 3.417 4.164 . 0 0 "[ . 1 . 2]" 1
1449 1 71 LYS HA 1 71 LYS HG3 3.850 . 3.850 3.755 3.666 3.838 . 0 0 "[ . 1 . 2]" 1
1450 1 71 LYS HA 1 71 LYS HG2 3.360 . 3.360 2.600 2.453 2.792 . 0 0 "[ . 1 . 2]" 1
1451 1 71 LYS HA 1 72 LYS HB3 5.500 . 5.500 5.279 4.926 5.507 0.007 14 0 "[ . 1 . 2]" 1
1452 1 71 LYS HA 1 72 LYS HB2 4.610 . 4.610 4.003 3.939 4.120 . 0 0 "[ . 1 . 2]" 1
1453 1 71 LYS HA 1 72 LYS H 3.430 . 3.430 3.423 3.389 3.442 0.012 19 0 "[ . 1 . 2]" 1
1454 1 71 LYS HA 1 73 GLU HG3 5.500 . 5.500 5.357 5.074 5.503 0.003 4 0 "[ . 1 . 2]" 1
1455 1 71 LYS HA 1 73 GLU HG2 5.320 . 5.320 5.224 5.073 5.323 0.003 20 0 "[ . 1 . 2]" 1
1456 1 71 LYS HB3 1 72 LYS H 4.550 . 4.550 4.083 3.996 4.190 . 0 0 "[ . 1 . 2]" 1
1457 1 71 LYS HB3 1 73 GLU HG3 4.430 . 4.430 3.632 3.278 3.912 . 0 0 "[ . 1 . 2]" 1
1458 1 71 LYS HB3 1 73 GLU HG2 4.100 . 4.100 3.234 2.928 3.563 . 0 0 "[ . 1 . 2]" 1
1459 1 71 LYS HB2 1 73 GLU HG3 3.830 . 3.830 2.524 2.245 2.757 . 0 0 "[ . 1 . 2]" 1
1460 1 71 LYS HB2 1 73 GLU HG2 3.830 . 3.830 3.013 2.735 3.243 . 0 0 "[ . 1 . 2]" 1
1461 1 71 LYS QD 1 73 GLU HG3 6.380 . 6.380 4.710 4.215 5.147 . 0 0 "[ . 1 . 2]" 1
1462 1 71 LYS H 1 71 LYS HB2 3.120 . 3.120 2.496 2.423 2.577 . 0 0 "[ . 1 . 2]" 1
1463 1 71 LYS H 1 71 LYS QE 5.510 . 5.510 4.541 4.242 4.748 . 0 0 "[ . 1 . 2]" 1
1464 1 71 LYS H 1 71 LYS HG3 3.660 . 3.660 3.247 3.047 3.435 . 0 0 "[ . 1 . 2]" 1
1465 1 71 LYS H 1 71 LYS HG2 3.010 . 3.010 2.651 2.433 2.864 . 0 0 "[ . 1 . 2]" 1
1466 1 71 LYS H 1 72 LYS HA 4.590 . 4.590 4.538 4.455 4.592 0.002 20 0 "[ . 1 . 2]" 1
1467 1 71 LYS H 1 73 GLU QG 5.060 . 5.060 4.185 4.008 4.284 . 0 0 "[ . 1 . 2]" 1
1468 1 72 LYS HA 1 72 LYS QD 4.840 . 4.840 2.238 2.049 2.736 . 0 0 "[ . 1 . 2]" 1
1469 1 72 LYS HA 1 72 LYS QE 5.570 . 5.570 3.930 3.331 4.217 . 0 0 "[ . 1 . 2]" 1
1470 1 72 LYS HA 1 72 LYS QG 3.850 . 3.850 2.430 2.197 2.602 . 0 0 "[ . 1 . 2]" 1
1471 1 72 LYS HA 1 73 GLU H 3.050 . 3.050 2.593 2.340 2.826 . 0 0 "[ . 1 . 2]" 1
1472 1 72 LYS HB3 1 72 LYS QE 5.060 . 5.060 3.606 2.197 4.352 . 0 0 "[ . 1 . 2]" 1
1473 1 72 LYS HB2 1 72 LYS QE 5.040 . 5.040 3.997 3.341 4.457 . 0 0 "[ . 1 . 2]" 1
1474 1 72 LYS QD 1 73 GLU H 4.790 . 4.790 4.083 3.564 4.350 . 0 0 "[ . 1 . 2]" 1
1475 1 72 LYS QG 1 73 GLU H 5.750 . 5.750 4.731 4.252 4.920 . 0 0 "[ . 1 . 2]" 1
1476 1 72 LYS H 1 72 LYS HA 2.660 . 2.660 2.272 2.269 2.275 . 0 0 "[ . 1 . 2]" 1
1477 1 72 LYS H 1 72 LYS QD 5.650 . 5.650 3.843 2.465 4.654 . 0 0 "[ . 1 . 2]" 1
1478 1 72 LYS H 1 72 LYS QE 6.380 . 6.380 5.330 4.512 5.733 . 0 0 "[ . 1 . 2]" 1
1479 1 72 LYS H 1 72 LYS QG 4.380 . 4.380 3.646 3.240 3.962 . 0 0 "[ . 1 . 2]" 1
1480 1 72 LYS H 1 73 GLU QG 5.200 . 5.200 3.944 3.773 4.177 . 0 0 "[ . 1 . 2]" 1
1481 1 72 LYS H 1 73 GLU H 3.210 . 3.210 2.827 2.594 3.127 . 0 0 "[ . 1 . 2]" 1
1482 1 73 GLU HA 1 73 GLU HG3 3.720 . 3.720 3.488 3.433 3.552 . 0 0 "[ . 1 . 2]" 1
1483 1 73 GLU HA 1 73 GLU HG2 3.360 . 3.360 2.374 2.272 2.445 . 0 0 "[ . 1 . 2]" 1
1484 1 73 GLU HA 1 74 GLU HB3 4.720 . 4.720 4.478 4.441 4.512 . 0 0 "[ . 1 . 2]" 1
1485 1 73 GLU HA 1 74 GLU H 3.020 . 3.020 2.172 2.137 2.242 . 0 0 "[ . 1 . 2]" 1
1486 1 73 GLU HA 1 75 ILE MD 5.660 . 5.660 4.546 4.435 4.621 . 0 0 "[ . 1 . 2]" 1
1487 1 73 GLU HA 1 75 ILE HG12 4.490 . 4.490 4.168 3.986 4.476 . 0 0 "[ . 1 . 2]" 1
1488 1 73 GLU HA 1 75 ILE MG 5.430 . 5.430 4.237 4.148 4.272 . 0 0 "[ . 1 . 2]" 1
1489 1 73 GLU HA 1 76 ILE MD 6.520 . 6.520 5.191 5.101 5.242 . 0 0 "[ . 1 . 2]" 1
1490 1 73 GLU QB 1 74 GLU H 4.430 . 4.430 3.069 2.757 3.290 . 0 0 "[ . 1 . 2]" 1
1491 1 73 GLU QB 1 75 ILE HA 5.680 . 5.680 4.712 4.675 4.752 . 0 0 "[ . 1 . 2]" 1
1492 1 73 GLU QB 1 75 ILE MD 5.790 . 5.790 2.248 2.110 2.382 . 0 0 "[ . 1 . 2]" 1
1493 1 73 GLU QB 1 75 ILE HG13 5.290 . 5.290 3.230 3.098 3.440 . 0 0 "[ . 1 . 2]" 1
1494 1 73 GLU QB 1 75 ILE HG12 5.000 . 5.000 1.917 1.843 2.098 . 0 0 "[ . 1 . 2]" 1
1495 1 73 GLU QB 1 75 ILE MG 5.220 . 5.220 2.477 2.380 2.635 . 0 0 "[ . 1 . 2]" 1
1496 1 73 GLU QB 1 75 ILE H 5.280 . 5.280 2.637 2.565 2.832 . 0 0 "[ . 1 . 2]" 1
1497 1 73 GLU HG3 1 75 ILE MD 6.240 . 6.240 3.476 3.273 3.662 . 0 0 "[ . 1 . 2]" 1
1498 1 73 GLU HG3 1 75 ILE HG13 5.440 . 5.440 5.377 5.292 5.449 0.009 11 0 "[ . 1 . 2]" 1
1499 1 73 GLU HG3 1 75 ILE HG12 5.480 . 5.480 4.221 4.134 4.288 . 0 0 "[ . 1 . 2]" 1
1500 1 73 GLU HG3 1 75 ILE MG 6.250 . 6.250 4.920 4.769 5.034 . 0 0 "[ . 1 . 2]" 1
1501 1 73 GLU HG3 1 76 ILE MD 6.500 . 6.500 4.348 4.209 4.661 . 0 0 "[ . 1 . 2]" 1
1502 1 73 GLU HG2 1 75 ILE MD 6.380 . 6.380 4.050 3.897 4.204 . 0 0 "[ . 1 . 2]" 1
1503 1 73 GLU HG2 1 75 ILE MG 5.920 . 5.920 4.686 4.598 4.766 . 0 0 "[ . 1 . 2]" 1
1504 1 73 GLU H 1 73 GLU QB 3.720 . 3.720 2.431 2.353 2.515 . 0 0 "[ . 1 . 2]" 1
1505 1 73 GLU H 1 73 GLU QG 3.920 . 3.920 2.560 2.395 2.792 . 0 0 "[ . 1 . 2]" 1
1506 1 73 GLU H 1 74 GLU H 4.570 . 4.570 4.516 4.363 4.610 0.040 11 0 "[ . 1 . 2]" 1
1507 1 73 GLU H 1 76 ILE MD 5.610 . 5.610 3.253 2.899 3.636 . 0 0 "[ . 1 . 2]" 1
1508 1 74 GLU HA 1 74 GLU HG3 3.870 . 3.870 3.768 3.653 3.872 0.002 8 0 "[ . 1 . 2]" 1
1509 1 74 GLU HA 1 74 GLU HG2 3.870 . 3.870 3.738 3.645 3.867 . 0 0 "[ . 1 . 2]" 1
1510 1 74 GLU HA 1 75 ILE MG 6.160 . 6.160 4.776 4.376 5.022 . 0 0 "[ . 1 . 2]" 1
1511 1 74 GLU HA 1 76 ILE H 5.070 . 5.070 3.689 3.565 4.068 . 0 0 "[ . 1 . 2]" 1
1512 1 74 GLU HB3 1 75 ILE MG 6.280 . 6.280 5.071 5.004 5.107 . 0 0 "[ . 1 . 2]" 1
1513 1 74 GLU HB2 1 75 ILE HA 4.900 . 4.900 4.834 4.764 4.900 . 4 0 "[ . 1 . 2]" 1
1514 1 74 GLU HG3 1 75 ILE MG 5.580 . 5.580 3.298 3.049 3.607 . 0 0 "[ . 1 . 2]" 1
1515 1 74 GLU HG2 1 75 ILE MG 5.580 . 5.580 3.396 2.985 3.993 . 0 0 "[ . 1 . 2]" 1
1516 1 74 GLU QG 1 75 ILE HA 5.170 . 5.170 3.515 3.105 4.004 . 0 0 "[ . 1 . 2]" 1
1517 1 74 GLU QG 1 75 ILE MG 5.640 . 5.640 2.941 2.765 3.099 . 0 0 "[ . 1 . 2]" 1
1518 1 74 GLU QG 1 75 ILE H 5.900 . 5.900 3.015 2.361 3.913 . 0 0 "[ . 1 . 2]" 1
1519 1 74 GLU H 1 74 GLU HB3 3.290 . 3.290 2.571 2.425 2.797 . 0 0 "[ . 1 . 2]" 1
1520 1 74 GLU H 1 74 GLU QG 3.960 . 3.960 2.176 1.981 2.315 . 0 0 "[ . 1 . 2]" 1
1521 1 74 GLU H 1 75 ILE HG12 5.240 . 5.240 4.174 4.055 4.270 . 0 0 "[ . 1 . 2]" 1
1522 1 74 GLU H 1 75 ILE MG 5.500 . 5.500 3.641 3.201 3.949 . 0 0 "[ . 1 . 2]" 1
1523 1 74 GLU H 1 75 ILE H 3.960 . 3.960 2.850 2.633 3.226 . 0 0 "[ . 1 . 2]" 1
1524 1 75 ILE HA 1 75 ILE HB 2.960 . 2.960 2.439 2.421 2.460 . 0 0 "[ . 1 . 2]" 1
1525 1 75 ILE HA 1 75 ILE HG13 3.840 . 3.840 3.765 3.721 3.804 . 0 0 "[ . 1 . 2]" 1
1526 1 75 ILE HA 1 75 ILE HG12 3.970 . 3.970 3.674 3.646 3.709 . 0 0 "[ . 1 . 2]" 1
1527 1 75 ILE HA 1 75 ILE MG 3.640 . 3.640 2.292 2.224 2.377 . 0 0 "[ . 1 . 2]" 1
1528 1 75 ILE MD 1 76 ILE MD 6.310 . 6.310 4.022 3.676 4.199 . 0 0 "[ . 1 . 2]" 1
1529 1 75 ILE MG 1 76 ILE HA 6.500 . 6.500 5.442 5.415 5.471 . 0 0 "[ . 1 . 2]" 1
1530 1 75 ILE MG 1 76 ILE HG13 5.840 . 5.840 4.750 4.699 4.788 . 0 0 "[ . 1 . 2]" 1
1531 1 75 ILE MG 1 76 ILE H 5.540 . 5.540 3.958 3.888 4.047 . 0 0 "[ . 1 . 2]" 1
1532 1 75 ILE H 1 75 ILE HG13 4.430 . 4.430 3.399 3.130 3.571 . 0 0 "[ . 1 . 2]" 1
1533 1 75 ILE H 1 75 ILE HG12 4.220 . 4.220 2.128 1.925 2.293 . 0 0 "[ . 1 . 2]" 1
1534 1 75 ILE H 1 76 ILE H 4.050 . 4.050 2.470 1.912 2.848 . 0 0 "[ . 1 . 2]" 1
1535 1 76 ILE HA 1 76 ILE HG13 3.530 . 3.530 2.990 2.675 3.153 . 0 0 "[ . 1 . 2]" 1
1536 1 76 ILE HA 1 76 ILE HG12 3.400 . 3.400 2.634 2.503 2.826 . 0 0 "[ . 1 . 2]" 1
1537 1 76 ILE HA 1 77 ALA MB 5.200 . 5.200 3.894 3.825 3.947 . 0 0 "[ . 1 . 2]" 1
1538 1 76 ILE HA 1 77 ALA H 2.630 . 2.630 2.188 2.149 2.269 . 0 0 "[ . 1 . 2]" 1
1539 1 76 ILE HB 1 77 ALA H 4.410 . 4.410 4.054 3.780 4.233 . 0 0 "[ . 1 . 2]" 1
1540 1 76 ILE MG 1 77 ALA HA 5.610 . 5.610 3.732 3.517 3.898 . 0 0 "[ . 1 . 2]" 1
1541 1 76 ILE MG 1 77 ALA MB 6.270 . 6.270 3.941 3.804 4.056 . 0 0 "[ . 1 . 2]" 1
1542 1 76 ILE MG 1 77 ALA H 4.320 . 4.320 2.334 1.964 2.701 . 0 0 "[ . 1 . 2]" 1
1543 1 76 ILE MG 1 78 PRO HA 5.600 . 5.600 4.517 4.467 4.590 . 0 0 "[ . 1 . 2]" 1
1544 1 76 ILE H 1 76 ILE HB 3.660 . 3.660 2.549 2.486 2.618 . 0 0 "[ . 1 . 2]" 1
1545 1 76 ILE H 1 76 ILE MD 5.790 . 5.790 3.488 3.146 3.697 . 0 0 "[ . 1 . 2]" 1
1546 1 76 ILE H 1 76 ILE HG13 4.100 . 4.100 2.140 1.996 2.272 . 0 0 "[ . 1 . 2]" 1
1547 1 76 ILE H 1 76 ILE HG12 4.160 . 4.160 3.448 3.192 3.742 . 0 0 "[ . 1 . 2]" 1
1548 1 76 ILE H 1 77 ALA H 4.660 . 4.660 4.569 4.492 4.612 . 0 0 "[ . 1 . 2]" 1
1549 1 77 ALA HA 1 78 PRO HB3 5.060 . 5.060 4.997 4.939 5.039 . 0 0 "[ . 1 . 2]" 1
1550 1 77 ALA HA 1 78 PRO HD3 3.140 . 3.140 2.469 2.402 2.518 . 0 0 "[ . 1 . 2]" 1
1551 1 77 ALA HA 1 78 PRO HD2 3.140 . 3.140 2.525 2.500 2.583 . 0 0 "[ . 1 . 2]" 1
1552 1 77 ALA HA 1 78 PRO HG3 4.680 . 4.680 4.631 4.598 4.658 . 0 0 "[ . 1 . 2]" 1
1553 1 77 ALA HA 1 78 PRO HG2 4.730 . 4.730 4.632 4.616 4.665 . 0 0 "[ . 1 . 2]" 1
1554 1 77 ALA MB 1 78 PRO HA 5.370 . 5.370 4.350 4.304 4.375 . 0 0 "[ . 1 . 2]" 1
1555 1 77 ALA MB 1 78 PRO HB3 6.030 . 6.030 4.913 4.870 4.945 . 0 0 "[ . 1 . 2]" 1
1556 1 77 ALA MB 1 78 PRO HB2 5.930 . 5.930 4.818 4.747 4.874 . 0 0 "[ . 1 . 2]" 1
1557 1 77 ALA MB 1 78 PRO HD3 4.190 . 4.190 3.106 3.042 3.167 . 0 0 "[ . 1 . 2]" 1
1558 1 77 ALA MB 1 78 PRO HD2 4.190 . 4.190 1.912 1.898 1.925 . 0 0 "[ . 1 . 2]" 1
1559 1 77 ALA MB 1 78 PRO QD 4.610 . 4.610 1.895 1.880 1.908 . 0 0 "[ . 1 . 2]" 1
1560 1 77 ALA MB 1 78 PRO HG3 5.380 . 5.380 4.205 4.168 4.229 . 0 0 "[ . 1 . 2]" 1
1561 1 77 ALA MB 1 78 PRO HG2 4.570 . 4.570 3.473 3.338 3.575 . 0 0 "[ . 1 . 2]" 1
1562 1 77 ALA H 1 78 PRO HD3 5.250 . 5.250 5.150 5.087 5.199 . 0 0 "[ . 1 . 2]" 1
1563 1 77 ALA H 1 78 PRO HD2 5.250 . 5.250 4.732 4.708 4.761 . 0 0 "[ . 1 . 2]" 1
1564 1 77 ALA H 1 78 PRO QD 5.380 . 5.380 4.374 4.366 4.378 . 0 0 "[ . 1 . 2]" 1
1565 1 78 PRO HB2 1 79 CYS H 3.590 . 3.590 2.851 2.630 3.130 . 0 0 "[ . 1 . 2]" 1
1566 1 79 CYS HA 1 80 LYS HA 4.790 . 4.790 4.347 4.332 4.365 . 0 0 "[ . 1 . 2]" 1
1567 1 79 CYS HA 1 80 LYS QG 6.150 . 6.150 3.823 3.643 4.032 . 0 0 "[ . 1 . 2]" 1
1568 1 79 CYS HA 1 80 LYS H 2.960 . 2.960 2.253 2.228 2.266 . 0 0 "[ . 1 . 2]" 1
1569 1 79 CYS HA 1 81 VAL QG 7.450 . 7.450 4.336 4.190 4.490 . 0 0 "[ . 1 . 2]" 1
1570 1 79 CYS HA 1 81 VAL H 4.350 . 4.350 4.232 4.053 4.352 0.002 6 0 "[ . 1 . 2]" 1
1571 1 79 CYS HA 1 82 TYR H 5.450 . 5.450 4.708 4.579 4.982 . 0 0 "[ . 1 . 2]" 1
1572 1 79 CYS HB3 1 80 LYS H 4.590 . 4.590 3.728 3.685 3.814 . 0 0 "[ . 1 . 2]" 1
1573 1 79 CYS HB3 1 81 VAL QG 6.370 . 6.370 3.666 3.361 3.872 . 0 0 "[ . 1 . 2]" 1
1574 1 79 CYS HB3 1 82 TYR QB 5.520 . 5.520 2.105 1.919 2.828 . 0 0 "[ . 1 . 2]" 1
1575 1 79 CYS HB3 1 82 TYR H 5.500 . 5.500 2.989 2.825 3.306 . 0 0 "[ . 1 . 2]" 1
1576 1 79 CYS HB2 1 80 LYS H 4.690 . 4.690 4.155 4.119 4.200 . 0 0 "[ . 1 . 2]" 1
1577 1 79 CYS HB2 1 81 VAL H 5.320 . 5.320 5.176 4.890 5.329 0.009 10 0 "[ . 1 . 2]" 1
1578 1 79 CYS HB2 1 82 TYR QB 5.360 . 5.360 3.593 3.244 4.465 . 0 0 "[ . 1 . 2]" 1
1579 1 79 CYS HB2 1 82 TYR H 4.940 . 4.940 4.534 4.175 4.942 0.002 9 0 "[ . 1 . 2]" 1
1580 1 79 CYS H 1 79 CYS HB3 3.190 . 3.190 2.775 2.747 2.824 . 0 0 "[ . 1 . 2]" 1
1581 1 79 CYS H 1 79 CYS HB2 3.170 . 3.170 2.325 2.282 2.365 . 0 0 "[ . 1 . 2]" 1
1582 1 79 CYS H 1 80 LYS H 4.760 . 4.760 4.634 4.623 4.645 . 0 0 "[ . 1 . 2]" 1
1583 1 79 CYS H 1 82 TYR QB 6.120 . 6.120 4.160 3.915 4.769 . 0 0 "[ . 1 . 2]" 1
1584 1 80 LYS HA 1 80 LYS HB3 3.020 . 3.020 2.404 2.336 2.463 . 0 0 "[ . 1 . 2]" 1
1585 1 80 LYS HA 1 80 LYS QE 5.580 . 5.580 4.612 3.700 4.999 . 0 0 "[ . 1 . 2]" 1
1586 1 80 LYS HA 1 80 LYS HG3 4.230 . 4.230 3.730 3.572 3.920 . 0 0 "[ . 1 . 2]" 1
1587 1 80 LYS HA 1 80 LYS HG2 4.230 . 4.230 3.813 3.625 4.198 . 0 0 "[ . 1 . 2]" 1
1588 1 80 LYS HA 1 81 VAL HA 4.940 . 4.940 4.751 4.647 4.807 . 0 0 "[ . 1 . 2]" 1
1589 1 80 LYS HA 1 81 VAL MG1 6.350 . 6.350 4.964 4.808 5.043 . 0 0 "[ . 1 . 2]" 1
1590 1 80 LYS HA 1 81 VAL MG2 6.350 . 6.350 5.016 4.924 5.119 . 0 0 "[ . 1 . 2]" 1
1591 1 80 LYS HA 1 81 VAL QG 6.720 . 6.720 4.443 4.394 4.476 . 0 0 "[ . 1 . 2]" 1
1592 1 80 LYS HA 1 82 TYR QB 5.700 . 5.700 4.541 4.204 5.042 . 0 0 "[ . 1 . 2]" 1
1593 1 80 LYS HB3 1 81 VAL QG 7.040 . 7.040 4.519 4.390 4.671 . 0 0 "[ . 1 . 2]" 1
1594 1 80 LYS HB3 1 81 VAL H 4.260 . 4.260 3.978 3.812 4.164 . 0 0 "[ . 1 . 2]" 1
1595 1 80 LYS HB2 1 81 VAL HA 5.130 . 5.130 4.382 4.217 4.489 . 0 0 "[ . 1 . 2]" 1
1596 1 80 LYS HB2 1 81 VAL QG 6.800 . 6.800 3.989 3.677 4.197 . 0 0 "[ . 1 . 2]" 1
1597 1 80 LYS QD 1 81 VAL HA 6.380 . 6.380 4.922 2.493 5.555 . 0 0 "[ . 1 . 2]" 1
1598 1 80 LYS QD 1 81 VAL QG 6.950 . 6.950 3.228 1.813 3.741 . 0 0 "[ . 1 . 2]" 1
1599 1 80 LYS QE 1 81 VAL HA 5.740 . 5.740 4.166 2.495 5.085 . 0 0 "[ . 1 . 2]" 1
1600 1 80 LYS QE 1 81 VAL QG 7.610 . 7.610 2.831 1.830 3.650 . 0 0 "[ . 1 . 2]" 1
1601 1 80 LYS HG3 1 81 VAL H 4.420 . 4.420 2.110 1.936 2.690 . 0 0 "[ . 1 . 2]" 1
1602 1 80 LYS HG2 1 81 VAL H 4.420 . 4.420 2.907 1.984 3.652 . 0 0 "[ . 1 . 2]" 1
1603 1 80 LYS QG 1 81 VAL QG 6.430 . 6.430 2.231 1.941 2.467 . 0 0 "[ . 1 . 2]" 1
1604 1 80 LYS H 1 80 LYS HB3 3.640 . 3.640 2.865 2.722 3.050 . 0 0 "[ . 1 . 2]" 1
1605 1 80 LYS H 1 80 LYS HB2 4.100 . 4.100 3.635 3.602 3.676 . 0 0 "[ . 1 . 2]" 1
1606 1 80 LYS H 1 80 LYS QD 5.350 . 5.350 3.747 3.262 4.015 . 0 0 "[ . 1 . 2]" 1
1607 1 80 LYS H 1 80 LYS HG3 3.790 . 3.790 2.708 1.969 3.517 . 0 0 "[ . 1 . 2]" 1
1608 1 80 LYS H 1 80 LYS HG2 3.790 . 3.790 2.241 1.961 3.242 . 0 0 "[ . 1 . 2]" 1
1609 1 80 LYS H 1 81 VAL QG 6.590 . 6.590 3.320 3.185 3.474 . 0 0 "[ . 1 . 2]" 1
1610 1 80 LYS H 1 81 VAL H 3.370 . 3.370 2.336 2.209 2.416 . 0 0 "[ . 1 . 2]" 1
1611 1 81 VAL HA 1 83 TYR H 4.580 . 4.580 3.708 3.366 4.502 . 0 0 "[ . 1 . 2]" 1
1612 1 81 VAL HA 1 84 ASP HB3 5.340 . 5.340 3.340 2.289 5.095 . 0 0 "[ . 1 . 2]" 1
1613 1 81 VAL HA 1 84 ASP HB2 5.340 . 5.340 3.537 2.610 5.220 . 0 0 "[ . 1 . 2]" 1
1614 1 81 VAL HA 1 84 ASP QB 5.440 . 5.440 2.970 2.150 3.915 . 0 0 "[ . 1 . 2]" 1
1615 1 81 VAL HA 1 84 ASP H 4.850 . 4.850 3.402 2.722 4.465 . 0 0 "[ . 1 . 2]" 1
1616 1 81 VAL HB 1 82 TYR H 4.380 . 4.380 4.062 3.546 4.400 0.020 9 0 "[ . 1 . 2]" 1
1617 1 81 VAL HB 1 83 TYR H 5.410 . 5.410 5.117 4.500 5.414 0.004 15 0 "[ . 1 . 2]" 1
1618 1 81 VAL QG 1 82 TYR HA 5.920 . 5.920 3.246 3.043 3.499 . 0 0 "[ . 1 . 2]" 1
1619 1 81 VAL QG 1 82 TYR H 5.460 . 5.460 2.368 1.854 3.172 . 0 0 "[ . 1 . 2]" 1
1620 1 81 VAL QG 1 83 TYR H 6.650 . 6.650 4.191 4.059 4.316 . 0 0 "[ . 1 . 2]" 1
1621 1 81 VAL QG 1 84 ASP QB 7.310 . 7.310 3.759 2.913 4.429 . 0 0 "[ . 1 . 2]" 1
1622 1 81 VAL QG 1 84 ASP H 7.430 . 7.430 4.610 4.190 5.029 . 0 0 "[ . 1 . 2]" 1
1623 1 81 VAL H 1 81 VAL HB 3.690 . 3.690 3.630 3.616 3.664 . 0 0 "[ . 1 . 2]" 1
1624 1 81 VAL H 1 81 VAL MG1 4.050 . 4.050 2.224 2.038 2.575 . 0 0 "[ . 1 . 2]" 1
1625 1 81 VAL H 1 81 VAL MG2 4.050 . 4.050 2.196 1.965 2.349 . 0 0 "[ . 1 . 2]" 1
1626 1 83 TYR HB3 1 84 ASP HA 4.980 . 4.980 4.040 3.870 4.343 . 0 0 "[ . 1 . 2]" 1
1627 1 83 TYR HB3 1 84 ASP H 3.750 . 3.750 3.052 2.644 3.435 . 0 0 "[ . 1 . 2]" 1
1628 1 83 TYR HB2 1 84 ASP HA 4.980 . 4.980 4.657 4.223 4.985 0.005 20 0 "[ . 1 . 2]" 1
1629 1 83 TYR HB2 1 84 ASP H 3.750 . 3.750 2.593 2.120 3.069 . 0 0 "[ . 1 . 2]" 1
1630 1 83 TYR QB 1 84 ASP H 3.980 . 3.980 2.435 2.045 2.796 . 0 0 "[ . 1 . 2]" 1
1631 1 83 TYR H 1 83 TYR HB3 3.810 . 3.810 3.564 3.367 3.812 0.002 1 0 "[ . 1 . 2]" 1
1632 1 83 TYR H 1 83 TYR HB2 3.810 . 3.810 2.409 2.131 3.087 . 0 0 "[ . 1 . 2]" 1
1633 1 83 TYR H 1 84 ASP H 3.610 . 3.610 2.406 1.987 3.088 . 0 0 "[ . 1 . 2]" 1
1634 1 84 ASP H 1 84 ASP HA 2.800 . 2.800 2.774 2.282 2.803 0.003 19 0 "[ . 1 . 2]" 1
1635 1 84 ASP H 1 84 ASP HB3 3.310 . 3.310 2.957 2.641 3.353 0.043 17 0 "[ . 1 . 2]" 1
1636 1 84 ASP H 1 84 ASP HB2 3.310 . 3.310 2.248 2.086 3.063 . 0 0 "[ . 1 . 2]" 1
1637 1 84 ASP H 1 84 ASP QB 3.750 . 3.750 2.169 2.058 2.838 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 130
_Distance_constraint_stats_list.Viol_total 45.028
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0173
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 20 ILE 1.171 0.056 8 0 "[ . 1 . 2]"
1 22 HIS 0.144 0.017 17 0 "[ . 1 . 2]"
1 25 HIS 0.144 0.017 17 0 "[ . 1 . 2]"
1 27 PHE 1.171 0.056 8 0 "[ . 1 . 2]"
1 28 ILE 0.019 0.005 20 0 "[ . 1 . 2]"
1 30 THR 0.090 0.014 14 0 "[ . 1 . 2]"
1 36 THR 0.554 0.045 1 0 "[ . 1 . 2]"
1 45 LEU 0.554 0.045 1 0 "[ . 1 . 2]"
1 54 ALA 0.090 0.014 14 0 "[ . 1 . 2]"
1 55 LEU 0.062 0.016 9 0 "[ . 1 . 2]"
1 56 GLU 0.019 0.005 20 0 "[ . 1 . 2]"
1 57 CYS 0.178 0.020 20 0 "[ . 1 . 2]"
1 62 ILE 0.178 0.020 20 0 "[ . 1 . 2]"
1 64 CYS 0.062 0.016 9 0 "[ . 1 . 2]"
1 66 LYS 0.008 0.004 20 0 "[ . 1 . 2]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 HIS 0.026 0.006 17 0 "[ . 1 . 2]"
1 70 ASP 0.008 0.004 20 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.026 0.006 17 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 20 ILE O 1 27 PHE H 2.200 . 2.200 2.214 2.205 2.227 0.027 1 0 "[ . 1 . 2]" 2
2 1 20 ILE O 1 27 PHE N 3.300 2.200 3.300 2.876 2.811 2.946 . 0 0 "[ . 1 . 2]" 2
3 1 20 ILE H 1 27 PHE O 2.200 . 2.200 1.756 1.744 1.764 0.056 8 0 "[ . 1 . 2]" 2
4 1 20 ILE N 1 27 PHE O 3.300 2.200 3.300 2.585 2.554 2.610 . 0 0 "[ . 1 . 2]" 2
5 1 22 HIS O 1 25 HIS H 2.200 . 2.200 1.969 1.859 2.204 0.004 2 0 "[ . 1 . 2]" 2
6 1 22 HIS O 1 25 HIS N 3.300 2.200 3.300 2.763 2.570 3.109 . 0 0 "[ . 1 . 2]" 2
7 1 22 HIS H 1 25 HIS O 2.200 . 2.200 1.856 1.783 2.036 0.017 17 0 "[ . 1 . 2]" 2
8 1 22 HIS N 1 25 HIS O 3.300 2.200 3.300 2.601 2.526 2.682 . 0 0 "[ . 1 . 2]" 2
9 1 28 ILE O 1 56 GLU H 2.200 . 2.200 1.835 1.795 1.967 0.005 20 0 "[ . 1 . 2]" 2
10 1 28 ILE O 1 56 GLU N 3.300 2.200 3.300 2.759 2.715 2.890 . 0 0 "[ . 1 . 2]" 2
11 1 28 ILE H 1 56 GLU O 2.200 . 2.200 1.849 1.797 1.874 0.003 16 0 "[ . 1 . 2]" 2
12 1 28 ILE N 1 56 GLU O 3.300 2.200 3.300 2.543 2.502 2.563 . 0 0 "[ . 1 . 2]" 2
13 1 30 THR O 1 54 ALA H 2.200 . 2.200 2.116 2.009 2.200 0.000 4 0 "[ . 1 . 2]" 2
14 1 30 THR O 1 54 ALA N 3.300 2.200 3.300 2.804 2.683 2.893 . 0 0 "[ . 1 . 2]" 2
15 1 30 THR H 1 54 ALA O 2.200 . 2.200 1.804 1.786 1.870 0.014 14 0 "[ . 1 . 2]" 2
16 1 30 THR N 1 54 ALA O 3.300 2.200 3.300 2.772 2.740 2.811 . 0 0 "[ . 1 . 2]" 2
17 1 36 THR H 1 45 LEU O 2.200 . 2.200 2.227 2.219 2.245 0.045 1 0 "[ . 1 . 2]" 2
18 1 36 THR N 1 45 LEU O 3.300 2.200 3.300 2.953 2.926 2.974 . 0 0 "[ . 1 . 2]" 2
19 1 36 THR O 1 45 LEU H 2.200 . 2.200 1.958 1.792 2.159 0.008 1 0 "[ . 1 . 2]" 2
20 1 36 THR O 1 45 LEU N 3.300 2.200 3.300 2.649 2.565 2.890 . 0 0 "[ . 1 . 2]" 2
21 1 55 LEU O 1 64 CYS H 2.200 . 2.200 1.956 1.850 2.047 . 0 0 "[ . 1 . 2]" 2
22 1 55 LEU O 1 64 CYS N 3.300 2.200 3.300 2.689 2.577 2.827 . 0 0 "[ . 1 . 2]" 2
23 1 55 LEU H 1 64 CYS O 2.200 . 2.200 1.886 1.784 2.201 0.016 9 0 "[ . 1 . 2]" 2
24 1 55 LEU N 1 64 CYS O 3.300 2.200 3.300 2.692 2.563 3.015 . 0 0 "[ . 1 . 2]" 2
25 1 57 CYS H 1 62 ILE O 2.200 . 2.200 1.818 1.780 2.023 0.020 20 0 "[ . 1 . 2]" 2
26 1 57 CYS N 1 62 ILE O 3.300 2.200 3.300 2.696 2.639 2.901 . 0 0 "[ . 1 . 2]" 2
27 1 66 LYS O 1 70 ASP N 3.300 2.200 3.300 2.881 2.764 2.999 . 0 0 "[ . 1 . 2]" 2
28 1 66 LYS O 1 70 ASP H 2.200 . 2.200 1.905 1.796 2.023 0.004 20 0 "[ . 1 . 2]" 2
29 1 67 ASP O 1 71 LYS N 3.300 2.200 3.300 2.722 2.620 2.832 . 0 0 "[ . 1 . 2]" 2
30 1 67 ASP O 1 71 LYS H 2.200 . 2.200 1.893 1.802 2.018 . 0 0 "[ . 1 . 2]" 2
31 1 68 HIS O 1 72 LYS N 3.300 2.200 3.300 2.737 2.574 2.846 . 0 0 "[ . 1 . 2]" 2
32 1 68 HIS O 1 72 LYS H 2.200 . 2.200 2.115 1.888 2.206 0.006 17 0 "[ . 1 . 2]" 2
stop_
save_
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