NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408952 |
1z60   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z60
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 1002
_Distance_constraint_stats_list.Viol_count 713
_Distance_constraint_stats_list.Viol_total 890.236
_Distance_constraint_stats_list.Viol_max 1.405
_Distance_constraint_stats_list.Viol_rms 0.0455
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.1249
_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 1 LEU 0.940 0.207 5 0 "[ . 1]"
1 2 ASP 0.033 0.033 6 0 "[ . 1]"
1 3 ALA 0.973 0.207 5 0 "[ . 1]"
1 4 PHE 0.802 0.259 8 0 "[ . 1]"
1 5 GLN 2.174 0.269 10 0 "[ . 1]"
1 6 GLU 2.768 0.198 5 0 "[ . 1]"
1 7 ILE 1.265 0.217 6 0 "[ . 1]"
1 8 PRO 4.895 0.305 3 0 "[ . 1]"
1 9 LEU 4.656 0.315 6 0 "[ . 1]"
1 10 GLU 2.284 0.305 3 0 "[ . 1]"
1 11 GLU 0.000 0.000 . 0 "[ . 1]"
1 12 TYR 4.486 1.025 1 1 "[+ . 1]"
1 13 ASN 0.085 0.051 3 0 "[ . 1]"
1 14 GLY 0.090 0.056 4 0 "[ . 1]"
1 15 GLU 0.748 0.330 5 0 "[ . 1]"
1 16 ARG 4.410 1.405 1 1 "[+ . 1]"
1 17 PHE 9.180 0.506 6 1 "[ .+ 1]"
1 18 CYS 9.688 0.552 3 3 "[- + . * 1]"
1 19 TYR 8.159 0.494 5 0 "[ . 1]"
1 20 GLY 1.272 0.218 4 0 "[ . 1]"
1 21 CYS 0.243 0.183 7 0 "[ . 1]"
1 22 GLN 1.560 0.182 3 0 "[ . 1]"
1 23 GLY 0.016 0.016 5 0 "[ . 1]"
1 24 GLU 4.483 0.552 3 3 "[- + . * 1]"
1 25 LEU 10.947 0.506 6 1 "[ .+ 1]"
1 26 LYS 2.007 0.315 4 0 "[ . 1]"
1 27 ASP 0.873 0.110 2 0 "[ . 1]"
1 28 GLN 0.486 0.097 2 0 "[ . 1]"
1 29 HIS 2.731 0.415 3 0 "[ . 1]"
1 30 VAL 5.414 1.405 1 1 "[+ . 1]"
1 31 TYR 7.303 0.416 6 0 "[ . 1]"
1 32 VAL 1.949 0.448 5 0 "[ . 1]"
1 33 CYS 5.748 0.494 5 0 "[ . 1]"
1 34 ALA 0.771 0.259 8 0 "[ . 1]"
1 35 VAL 3.887 0.508 2 1 "[ + . 1]"
1 36 CYS 3.432 0.448 5 0 "[ . 1]"
1 37 GLN 11.355 0.508 2 1 "[ + . 1]"
1 38 ASN 2.967 0.207 8 0 "[ . 1]"
1 39 VAL 3.877 0.688 1 1 "[+ . 1]"
1 40 PHE 2.583 0.313 2 0 "[ . 1]"
1 41 CYS 1.904 0.194 5 0 "[ . 1]"
1 42 VAL 4.174 0.315 6 0 "[ . 1]"
1 43 ASP 1.540 0.278 8 0 "[ . 1]"
1 44 CYS 1.253 0.188 7 0 "[ . 1]"
1 45 ASP 1.818 0.265 4 0 "[ . 1]"
1 46 VAL 2.009 0.407 5 0 "[ . 1]"
1 47 PHE 1.857 0.299 6 0 "[ . 1]"
1 48 VAL 3.559 0.279 2 0 "[ . 1]"
1 49 HIS 1.090 0.181 9 0 "[ . 1]"
1 50 ASP 0.292 0.159 6 0 "[ . 1]"
1 51 SER 1.057 0.299 6 0 "[ . 1]"
1 52 LEU 5.597 0.489 7 0 "[ . 1]"
1 53 HIS 4.432 0.279 2 0 "[ . 1]"
1 54 SER 0.106 0.088 8 0 "[ . 1]"
1 55 CYS 1.622 0.146 5 0 "[ . 1]"
1 56 PRO 9.235 0.489 7 0 "[ . 1]"
1 57 GLY 0.672 0.211 9 0 "[ . 1]"
1 58 CYS 1.123 0.188 8 0 "[ . 1]"
1 59 ILE 1.012 0.300 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU HA 1 1 LEU HB3 2.900 . 4.400 2.464 2.260 2.987 . 0 0 "[ . 1]" 1
2 1 1 LEU HA 1 1 LEU MD1 3.000 . 4.600 3.475 2.094 3.878 . 0 0 "[ . 1]" 1
3 1 1 LEU HA 1 1 LEU HG 3.400 . 5.300 3.196 2.431 4.274 . 0 0 "[ . 1]" 1
4 1 1 LEU HA 1 2 ASP H 2.500 . 3.800 2.224 1.907 3.453 . 0 0 "[ . 1]" 1
5 1 1 LEU HA 1 3 ALA HA 2.800 . 6.500 6.417 5.380 6.707 0.207 5 0 "[ . 1]" 1
6 1 1 LEU HB2 1 1 LEU MD1 3.000 . 4.600 2.472 2.095 3.195 . 0 0 "[ . 1]" 1
7 1 1 LEU HB2 1 2 ASP H 3.700 . 5.900 3.792 3.130 4.243 . 0 0 "[ . 1]" 1
8 1 1 LEU HB3 1 1 LEU MD1 3.100 . 4.800 2.542 2.318 3.198 . 0 0 "[ . 1]" 1
9 1 1 LEU MD1 1 1 LEU MD2 2.400 . 3.600 2.073 2.051 2.101 . 0 0 "[ . 1]" 1
10 1 1 LEU MD1 1 2 ASP H 4.200 . 6.500 4.693 3.370 5.314 . 0 0 "[ . 1]" 1
11 1 1 LEU MD2 1 1 LEU HG 2.400 . 3.600 2.121 2.095 2.137 . 0 0 "[ . 1]" 1
12 1 1 LEU MD2 1 2 ASP H 3.100 . 4.800 3.931 3.354 4.742 . 0 0 "[ . 1]" 1
13 1 1 LEU HG 1 2 ASP H 3.800 . 6.100 4.795 3.366 5.372 . 0 0 "[ . 1]" 1
14 1 2 ASP H 1 2 ASP HA 3.000 . 4.600 2.729 2.169 2.947 . 0 0 "[ . 1]" 1
15 1 2 ASP H 1 2 ASP HB2 3.300 . 5.100 3.401 2.399 3.944 . 0 0 "[ . 1]" 1
16 1 2 ASP H 1 3 ALA H 3.800 . 6.100 3.240 1.967 4.282 0.033 6 0 "[ . 1]" 1
17 1 2 ASP HB2 1 3 ALA H 3.700 . 5.900 3.922 1.996 4.506 . 0 0 "[ . 1]" 1
18 1 2 ASP HB3 1 3 ALA H 3.400 . 5.300 3.646 2.145 4.740 . 0 0 "[ . 1]" 1
19 1 2 ASP HB3 1 3 ALA MB 4.200 . 6.500 4.826 3.746 5.739 . 0 0 "[ . 1]" 1
20 1 3 ALA H 1 4 PHE H 4.400 . 6.500 4.336 3.148 4.789 . 0 0 "[ . 1]" 1
21 1 3 ALA HA 1 3 ALA MB 2.400 . 3.600 2.132 2.080 2.156 . 0 0 "[ . 1]" 1
22 1 3 ALA HA 1 4 PHE H 2.800 . 4.300 2.677 2.289 3.625 . 0 0 "[ . 1]" 1
23 1 3 ALA HA 1 4 PHE QD 3.900 . 6.300 5.098 3.949 6.005 . 0 0 "[ . 1]" 1
24 1 3 ALA MB 1 4 PHE H 3.000 . 4.700 2.567 1.880 2.939 . 0 0 "[ . 1]" 1
25 1 4 PHE H 1 4 PHE HB2 3.600 . 5.700 2.581 2.226 3.395 . 0 0 "[ . 1]" 1
26 1 4 PHE H 1 4 PHE HB3 3.600 . 5.700 3.252 2.652 4.106 . 0 0 "[ . 1]" 1
27 1 4 PHE H 1 4 PHE QD 3.500 . 5.500 3.527 2.064 4.284 . 0 0 "[ . 1]" 1
28 1 4 PHE HA 1 4 PHE QD 2.300 . 3.400 2.870 2.509 3.097 . 0 0 "[ . 1]" 1
29 1 4 PHE HA 1 4 PHE HZ 4.400 . 6.500 5.696 5.559 5.906 . 0 0 "[ . 1]" 1
30 1 4 PHE HA 1 5 GLN H 2.700 . 4.100 2.248 2.010 2.530 . 0 0 "[ . 1]" 1
31 1 4 PHE HA 1 33 CYS HA 4.100 . 6.500 3.954 3.478 4.602 . 0 0 "[ . 1]" 1
32 1 4 PHE HA 1 34 ALA MB 4.300 . 6.500 3.373 2.444 4.995 . 0 0 "[ . 1]" 1
33 1 4 PHE HB2 1 4 PHE QD 2.400 . 3.600 2.308 2.130 2.451 . 0 0 "[ . 1]" 1
34 1 4 PHE HB2 1 5 GLN H 3.700 . 5.900 4.415 4.136 4.670 . 0 0 "[ . 1]" 1
35 1 4 PHE HB3 1 4 PHE QD 2.400 . 3.600 2.446 2.218 2.757 . 0 0 "[ . 1]" 1
36 1 4 PHE HB3 1 5 GLN H 3.700 . 5.900 3.681 3.013 4.096 . 0 0 "[ . 1]" 1
37 1 4 PHE QD 1 5 GLN H 2.900 . 4.400 3.424 2.138 4.431 0.031 8 0 "[ . 1]" 1
38 1 4 PHE QD 1 32 VAL H 3.700 . 5.900 4.430 3.891 5.217 . 0 0 "[ . 1]" 1
39 1 4 PHE QD 1 32 VAL MG1 3.800 . 6.100 4.733 3.519 5.992 . 0 0 "[ . 1]" 1
40 1 4 PHE QD 1 33 CYS HA 2.700 . 4.100 3.180 2.484 3.631 . 0 0 "[ . 1]" 1
41 1 4 PHE QD 1 34 ALA H 3.000 . 4.600 3.743 1.869 4.859 0.259 8 0 "[ . 1]" 1
42 1 4 PHE QD 1 34 ALA MB 3.300 . 5.200 3.407 2.360 5.285 0.085 3 0 "[ . 1]" 1
43 1 4 PHE HZ 1 33 CYS QB 2.800 . 4.300 3.684 3.083 3.996 . 0 0 "[ . 1]" 1
44 1 5 GLN H 1 5 GLN HA 3.000 . 4.600 2.862 2.828 2.947 . 0 0 "[ . 1]" 1
45 1 5 GLN H 1 5 GLN HB2 3.100 . 4.800 3.038 2.802 3.466 . 0 0 "[ . 1]" 1
46 1 5 GLN H 1 5 GLN HB3 3.300 . 5.200 3.363 2.703 3.956 . 0 0 "[ . 1]" 1
47 1 5 GLN H 1 5 GLN HG2 4.400 . 6.500 4.481 4.213 4.907 . 0 0 "[ . 1]" 1
48 1 5 GLN H 1 5 GLN HG3 4.400 . 6.500 4.034 3.321 4.901 . 0 0 "[ . 1]" 1
49 1 5 GLN H 1 6 GLU H 4.200 . 6.500 4.259 4.166 4.354 . 0 0 "[ . 1]" 1
50 1 5 GLN H 1 31 TYR HB2 4.900 . 6.500 6.611 6.543 6.769 0.269 10 0 "[ . 1]" 1
51 1 5 GLN H 1 32 VAL H 3.200 . 5.000 2.751 2.475 3.044 . 0 0 "[ . 1]" 1
52 1 5 GLN H 1 32 VAL HB 3.700 . 5.900 3.838 1.935 4.978 0.055 2 0 "[ . 1]" 1
53 1 5 GLN H 1 32 VAL MG1 3.900 . 6.300 3.171 1.875 4.281 0.125 4 0 "[ . 1]" 1
54 1 5 GLN H 1 32 VAL MG2 4.000 . 6.500 3.140 1.912 4.300 0.088 10 0 "[ . 1]" 1
55 1 5 GLN H 1 33 CYS HA 4.100 . 6.500 4.936 4.215 6.015 . 0 0 "[ . 1]" 1
56 1 5 GLN HA 1 5 GLN HB3 3.000 . 4.600 2.744 2.465 3.036 . 0 0 "[ . 1]" 1
57 1 5 GLN HA 1 5 GLN HG2 3.400 . 5.300 2.880 2.243 3.802 . 0 0 "[ . 1]" 1
58 1 5 GLN HB2 1 6 GLU H 4.300 . 6.500 3.889 3.511 4.239 . 0 0 "[ . 1]" 1
59 1 5 GLN HB2 1 32 VAL MG1 3.500 . 5.500 3.754 2.276 4.949 . 0 0 "[ . 1]" 1
60 1 5 GLN HB3 1 6 GLU H 3.000 . 4.600 3.143 2.109 4.102 . 0 0 "[ . 1]" 1
61 1 5 GLN HB3 1 32 VAL H 3.600 . 5.700 4.606 3.083 5.757 0.057 8 0 "[ . 1]" 1
62 1 5 GLN HG2 1 6 GLU H 4.300 . 6.500 3.395 2.282 4.320 . 0 0 "[ . 1]" 1
63 1 5 GLN HG2 1 6 GLU HG2 4.000 . 6.500 5.299 3.791 6.508 0.008 5 0 "[ . 1]" 1
64 1 5 GLN HG2 1 6 GLU HG3 4.000 . 6.500 5.999 4.288 6.663 0.163 7 0 "[ . 1]" 1
65 1 5 GLN HG3 1 6 GLU H 3.300 . 5.100 3.705 2.566 4.775 . 0 0 "[ . 1]" 1
66 1 6 GLU H 1 6 GLU HB2 3.100 . 4.800 3.427 2.322 3.836 . 0 0 "[ . 1]" 1
67 1 6 GLU H 1 6 GLU HB3 2.700 . 4.100 3.115 2.775 3.514 . 0 0 "[ . 1]" 1
68 1 6 GLU H 1 6 GLU HG2 3.400 . 5.400 2.580 2.128 4.361 . 0 0 "[ . 1]" 1
69 1 6 GLU H 1 6 GLU HG3 3.400 . 5.400 3.549 3.059 4.640 . 0 0 "[ . 1]" 1
70 1 6 GLU H 1 31 TYR QD 4.100 . 6.500 4.959 4.250 5.506 . 0 0 "[ . 1]" 1
71 1 6 GLU H 1 31 TYR QE 2.800 . 6.500 5.421 4.437 6.340 . 0 0 "[ . 1]" 1
72 1 6 GLU HA 1 6 GLU HB2 2.600 . 3.900 2.559 2.366 3.027 . 0 0 "[ . 1]" 1
73 1 6 GLU HA 1 6 GLU HG2 3.000 . 4.700 3.601 2.860 3.874 . 0 0 "[ . 1]" 1
74 1 6 GLU HA 1 6 GLU HG3 3.000 . 4.700 3.713 2.372 4.314 . 0 0 "[ . 1]" 1
75 1 6 GLU HA 1 7 ILE H 2.300 . 3.500 1.996 1.816 2.350 . 0 0 "[ . 1]" 1
76 1 6 GLU HA 1 8 PRO HG3 4.300 . 6.500 6.639 6.570 6.698 0.198 5 0 "[ . 1]" 1
77 1 6 GLU HA 1 29 HIS HD2 3.900 . 6.300 4.255 3.691 5.264 . 0 0 "[ . 1]" 1
78 1 6 GLU HA 1 31 TYR HB2 5.200 . 6.500 5.269 4.868 5.641 . 0 0 "[ . 1]" 1
79 1 6 GLU HA 1 31 TYR QD 2.500 . 3.800 3.285 2.286 3.864 0.064 5 0 "[ . 1]" 1
80 1 6 GLU HA 1 31 TYR QE 3.000 . 4.600 3.856 2.272 4.605 0.005 6 0 "[ . 1]" 1
81 1 6 GLU HB2 1 30 VAL H 3.900 . 6.500 5.070 3.841 6.542 0.042 3 0 "[ . 1]" 1
82 1 6 GLU HB2 1 31 TYR QD 3.900 . 6.300 3.929 3.148 5.129 . 0 0 "[ . 1]" 1
83 1 6 GLU HB2 1 31 TYR QE 2.600 . 4.000 3.241 2.586 4.166 0.166 3 0 "[ . 1]" 1
84 1 6 GLU HB3 1 31 TYR QE 3.000 . 4.600 2.810 2.156 4.632 0.032 5 0 "[ . 1]" 1
85 1 6 GLU HG2 1 31 TYR QE 3.100 . 4.800 4.513 4.080 4.877 0.077 7 0 "[ . 1]" 1
86 1 6 GLU HG3 1 31 TYR QE 3.100 . 4.800 4.358 3.015 4.856 0.056 6 0 "[ . 1]" 1
87 1 7 ILE H 1 7 ILE HG12 3.400 . 5.300 3.032 1.991 4.201 . 0 0 "[ . 1]" 1
88 1 7 ILE H 1 7 ILE MG 3.100 . 4.800 2.949 1.893 3.964 0.007 10 0 "[ . 1]" 1
89 1 7 ILE H 1 29 HIS HD2 3.800 . 6.100 3.363 3.086 3.640 . 0 0 "[ . 1]" 1
90 1 7 ILE H 1 30 VAL MG1 3.700 . 5.900 3.787 3.366 4.681 . 0 0 "[ . 1]" 1
91 1 7 ILE H 1 30 VAL MG2 3.700 . 5.900 4.291 3.444 4.858 . 0 0 "[ . 1]" 1
92 1 7 ILE H 1 31 TYR HA 3.200 . 5.000 3.556 3.056 4.228 . 0 0 "[ . 1]" 1
93 1 7 ILE H 1 31 TYR QD 3.700 . 5.900 4.724 3.705 5.302 . 0 0 "[ . 1]" 1
94 1 7 ILE H 1 31 TYR QE 4.000 . 6.500 5.156 3.748 5.855 . 0 0 "[ . 1]" 1
95 1 7 ILE HA 1 7 ILE HB 3.000 . 4.600 2.584 2.272 3.009 . 0 0 "[ . 1]" 1
96 1 7 ILE HA 1 7 ILE HG13 2.500 . 3.800 3.389 2.690 3.805 0.005 7 0 "[ . 1]" 1
97 1 7 ILE HA 1 7 ILE MG 3.000 . 4.600 2.594 2.222 3.206 . 0 0 "[ . 1]" 1
98 1 7 ILE HA 1 8 PRO HB2 5.600 . 6.500 5.066 4.936 5.148 . 0 0 "[ . 1]" 1
99 1 7 ILE HA 1 8 PRO HD2 3.600 . 6.500 3.077 2.678 3.335 . 0 0 "[ . 1]" 1
100 1 7 ILE HA 1 8 PRO HG2 4.600 . 6.500 4.328 4.177 4.453 . 0 0 "[ . 1]" 1
101 1 7 ILE HA 1 12 TYR HB3 3.400 . 6.500 6.543 6.265 6.717 0.217 6 0 "[ . 1]" 1
102 1 7 ILE HA 1 29 HIS HD2 3.300 . 5.200 3.719 3.216 4.192 . 0 0 "[ . 1]" 1
103 1 7 ILE HA 1 30 VAL MG1 4.200 . 6.500 5.338 4.770 5.770 . 0 0 "[ . 1]" 1
104 1 7 ILE HA 1 30 VAL MG2 4.200 . 6.500 5.153 4.224 5.912 . 0 0 "[ . 1]" 1
105 1 7 ILE HG12 1 30 VAL H 3.200 . 5.000 4.694 4.213 5.134 0.134 1 0 "[ . 1]" 1
106 1 7 ILE HG13 1 7 ILE MG 2.500 . 3.800 3.107 2.274 3.219 . 0 0 "[ . 1]" 1
107 1 7 ILE HG13 1 29 HIS HD2 4.000 . 6.500 5.308 4.622 6.403 . 0 0 "[ . 1]" 1
108 1 7 ILE HG13 1 30 VAL H 4.300 . 6.500 4.608 3.754 5.836 . 0 0 "[ . 1]" 1
109 1 7 ILE HG13 1 30 VAL MG1 3.100 . 4.800 3.521 2.215 4.883 0.083 9 0 "[ . 1]" 1
110 1 7 ILE HG13 1 30 VAL MG2 3.100 . 4.800 3.716 2.376 4.858 0.058 3 0 "[ . 1]" 1
111 1 8 PRO HA 1 9 LEU H 2.600 . 3.900 2.298 2.120 3.019 . 0 0 "[ . 1]" 1
112 1 8 PRO HA 1 29 HIS HD2 2.400 . 3.600 2.390 1.915 2.790 . 0 0 "[ . 1]" 1
113 1 8 PRO HB2 1 9 LEU H 3.100 . 4.800 3.460 3.212 4.012 . 0 0 "[ . 1]" 1
114 1 8 PRO HB2 1 29 HIS HA 4.300 . 6.500 5.845 5.546 6.216 . 0 0 "[ . 1]" 1
115 1 8 PRO HB2 1 29 HIS HD2 3.400 . 5.400 5.030 4.737 5.460 0.060 2 0 "[ . 1]" 1
116 1 8 PRO HB3 1 9 LEU H 3.700 . 5.900 3.306 3.021 4.647 . 0 0 "[ . 1]" 1
117 1 8 PRO HB3 1 11 GLU H 4.400 . 6.500 4.361 3.861 5.514 . 0 0 "[ . 1]" 1
118 1 8 PRO HB3 1 29 HIS HD2 3.400 . 5.400 4.326 3.870 4.724 . 0 0 "[ . 1]" 1
119 1 8 PRO HD2 1 10 GLU HB3 2.800 . 6.500 4.367 3.387 6.303 . 0 0 "[ . 1]" 1
120 1 8 PRO HD2 1 29 HIS HD2 3.300 . 5.200 4.810 4.462 5.226 0.026 6 0 "[ . 1]" 1
121 1 8 PRO HD3 1 9 LEU HA 2.700 . 6.500 6.600 6.188 6.736 0.236 8 0 "[ . 1]" 1
122 1 8 PRO HD3 1 10 GLU HB2 3.800 . 6.100 6.305 6.184 6.405 0.305 3 0 "[ . 1]" 1
123 1 8 PRO HG2 1 9 LEU H 4.600 . 6.500 5.327 5.214 5.445 . 0 0 "[ . 1]" 1
124 1 8 PRO HG2 1 29 HIS HD2 3.500 . 5.600 5.153 4.768 5.652 0.052 6 0 "[ . 1]" 1
125 1 9 LEU H 1 9 LEU HA 2.800 . 4.300 2.685 2.305 2.758 . 0 0 "[ . 1]" 1
126 1 9 LEU H 1 9 LEU HB2 2.600 . 4.000 2.549 2.160 3.682 . 0 0 "[ . 1]" 1
127 1 9 LEU H 1 9 LEU HB3 3.200 . 5.000 3.309 2.524 4.139 . 0 0 "[ . 1]" 1
128 1 9 LEU H 1 9 LEU MD1 3.400 . 5.300 3.792 3.362 4.581 . 0 0 "[ . 1]" 1
129 1 9 LEU H 1 9 LEU MD2 3.400 . 5.300 3.503 2.938 4.284 . 0 0 "[ . 1]" 1
130 1 9 LEU H 1 9 LEU HG 3.200 . 5.000 2.954 2.038 4.495 . 0 0 "[ . 1]" 1
131 1 9 LEU H 1 10 GLU H 3.100 . 4.800 2.622 2.432 3.288 . 0 0 "[ . 1]" 1
132 1 9 LEU H 1 10 GLU HB2 4.400 . 6.500 4.412 4.013 5.229 . 0 0 "[ . 1]" 1
133 1 9 LEU H 1 11 GLU H 4.300 . 6.500 4.293 4.117 4.569 . 0 0 "[ . 1]" 1
134 1 9 LEU H 1 28 GLN HA 3.900 . 6.300 5.261 4.089 6.305 0.005 9 0 "[ . 1]" 1
135 1 9 LEU H 1 29 HIS H 3.800 . 6.100 5.597 4.770 5.998 . 0 0 "[ . 1]" 1
136 1 9 LEU H 1 29 HIS HA 2.700 . 4.100 3.229 2.827 3.603 . 0 0 "[ . 1]" 1
137 1 9 LEU H 1 29 HIS HB3 4.300 . 6.500 5.611 4.652 6.249 . 0 0 "[ . 1]" 1
138 1 9 LEU H 1 29 HIS HD2 3.400 . 5.300 4.222 3.543 4.675 . 0 0 "[ . 1]" 1
139 1 9 LEU H 1 30 VAL H 3.600 . 5.700 4.187 3.432 4.783 . 0 0 "[ . 1]" 1
140 1 9 LEU H 1 30 VAL MG1 3.900 . 6.300 5.644 3.456 6.149 . 0 0 "[ . 1]" 1
141 1 9 LEU H 1 30 VAL MG2 3.900 . 6.300 3.409 3.140 4.016 . 0 0 "[ . 1]" 1
142 1 9 LEU HA 1 9 LEU HB3 3.000 . 4.600 2.629 2.429 3.024 . 0 0 "[ . 1]" 1
143 1 9 LEU HA 1 9 LEU MD1 2.400 . 3.600 3.716 3.495 3.778 0.178 10 0 "[ . 1]" 1
144 1 9 LEU HA 1 9 LEU MD2 2.400 . 3.600 2.248 1.961 3.236 . 0 0 "[ . 1]" 1
145 1 9 LEU HA 1 9 LEU HG 2.800 . 4.300 3.054 2.565 3.642 . 0 0 "[ . 1]" 1
146 1 9 LEU HA 1 10 GLU HB3 3.100 . 6.500 5.702 5.345 6.530 0.030 7 0 "[ . 1]" 1
147 1 9 LEU HA 1 11 GLU H 3.900 . 6.300 4.290 4.010 4.589 . 0 0 "[ . 1]" 1
148 1 9 LEU HA 1 12 TYR HB3 3.600 . 5.700 3.228 2.025 4.538 . 0 0 "[ . 1]" 1
149 1 9 LEU HA 1 12 TYR QD 3.700 . 5.900 4.258 2.441 5.850 . 0 0 "[ . 1]" 1
150 1 9 LEU HA 1 26 LYS HA 3.400 . 5.400 5.272 4.561 5.498 0.098 8 0 "[ . 1]" 1
151 1 9 LEU HA 1 30 VAL H 4.400 . 6.500 4.382 3.682 5.226 . 0 0 "[ . 1]" 1
152 1 9 LEU HA 1 30 VAL MG1 3.200 . 4.900 4.218 2.712 4.577 . 0 0 "[ . 1]" 1
153 1 9 LEU HA 1 30 VAL MG2 3.200 . 4.900 2.220 1.884 3.219 0.036 6 0 "[ . 1]" 1
154 1 9 LEU HB2 1 10 GLU H 3.100 . 4.800 2.975 2.434 4.005 . 0 0 "[ . 1]" 1
155 1 9 LEU HB3 1 10 GLU H 2.500 . 3.800 3.396 2.575 3.790 . 0 0 "[ . 1]" 1
156 1 9 LEU MD1 1 9 LEU HG 2.000 . 3.000 2.116 2.000 2.148 . 0 0 "[ . 1]" 1
157 1 9 LEU MD1 1 26 LYS HA 2.400 . 6.500 2.857 2.082 3.908 . 0 0 "[ . 1]" 1
158 1 9 LEU MD1 1 27 ASP HA 3.800 . 6.100 4.776 4.208 6.112 0.012 4 0 "[ . 1]" 1
159 1 9 LEU MD2 1 9 LEU HG 2.000 . 3.000 2.126 2.107 2.161 . 0 0 "[ . 1]" 1
160 1 9 LEU MD2 1 26 LYS HA 2.400 . 6.500 2.596 1.755 4.015 . 0 0 "[ . 1]" 1
161 1 9 LEU HG 1 10 GLU H 3.800 . 6.100 4.472 4.080 5.221 . 0 0 "[ . 1]" 1
162 1 9 LEU HG 1 29 HIS HA 3.900 . 6.300 3.570 2.459 5.570 . 0 0 "[ . 1]" 1
163 1 9 LEU HG 1 30 VAL MG1 3.600 . 5.700 5.559 4.072 5.836 0.136 5 0 "[ . 1]" 1
164 1 9 LEU HG 1 30 VAL MG2 3.600 . 5.700 3.412 2.916 5.226 . 0 0 "[ . 1]" 1
165 1 9 LEU HG 1 42 VAL MG1 3.700 . 6.500 6.450 5.655 6.815 0.315 6 0 "[ . 1]" 1
166 1 10 GLU H 1 10 GLU HB2 2.700 . 4.100 2.141 1.983 2.396 . 0 0 "[ . 1]" 1
167 1 10 GLU H 1 10 GLU HB3 2.600 . 4.000 2.765 2.464 3.550 . 0 0 "[ . 1]" 1
168 1 10 GLU H 1 11 GLU H 3.200 . 5.000 2.774 2.668 2.880 . 0 0 "[ . 1]" 1
169 1 10 GLU H 1 29 HIS HA 3.700 . 5.900 5.757 5.433 6.001 0.101 8 0 "[ . 1]" 1
170 1 10 GLU HA 1 10 GLU HB2 2.700 . 4.100 2.775 2.525 2.990 . 0 0 "[ . 1]" 1
171 1 10 GLU HA 1 10 GLU HB3 2.600 . 3.900 2.818 2.493 2.959 . 0 0 "[ . 1]" 1
172 1 10 GLU HA 1 11 GLU H 3.600 . 5.700 3.553 3.506 3.616 . 0 0 "[ . 1]" 1
173 1 10 GLU HA 1 12 TYR H 3.900 . 6.300 4.404 4.113 4.703 . 0 0 "[ . 1]" 1
174 1 10 GLU HB3 1 11 GLU H 2.600 . 3.900 2.350 1.822 3.599 . 0 0 "[ . 1]" 1
175 1 11 GLU H 1 11 GLU HB2 2.800 . 4.300 2.481 2.376 2.596 . 0 0 "[ . 1]" 1
176 1 11 GLU H 1 11 GLU HB3 2.800 . 4.300 3.050 2.408 3.675 . 0 0 "[ . 1]" 1
177 1 11 GLU H 1 12 TYR HA 4.300 . 6.500 5.166 4.871 5.352 . 0 0 "[ . 1]" 1
178 1 11 GLU H 1 12 TYR HB2 4.000 . 6.500 4.770 4.264 5.264 . 0 0 "[ . 1]" 1
179 1 11 GLU H 1 12 TYR HB3 4.100 . 6.500 4.515 3.670 4.785 . 0 0 "[ . 1]" 1
180 1 11 GLU HA 1 12 TYR H 3.200 . 5.000 3.401 3.264 3.489 . 0 0 "[ . 1]" 1
181 1 12 TYR H 1 12 TYR HA 2.900 . 4.500 2.899 2.723 2.969 . 0 0 "[ . 1]" 1
182 1 12 TYR H 1 12 TYR HB2 2.600 . 4.000 2.780 2.418 3.032 . 0 0 "[ . 1]" 1
183 1 12 TYR H 1 12 TYR QD 3.500 . 5.500 4.111 3.680 4.278 . 0 0 "[ . 1]" 1
184 1 12 TYR H 1 12 TYR QE 4.700 . 6.500 6.170 5.799 6.344 . 0 0 "[ . 1]" 1
185 1 12 TYR HA 1 12 TYR QD 2.200 . 3.300 2.885 2.412 3.123 . 0 0 "[ . 1]" 1
186 1 12 TYR HA 1 12 TYR QE 3.400 . 5.300 4.839 4.702 5.099 . 0 0 "[ . 1]" 1
187 1 12 TYR HA 1 13 ASN H 2.900 . 4.500 2.396 2.040 3.667 . 0 0 "[ . 1]" 1
188 1 12 TYR HA 1 30 VAL MG1 4.600 . 6.500 4.847 4.071 5.767 . 0 0 "[ . 1]" 1
189 1 12 TYR HA 1 30 VAL MG2 4.600 . 6.500 4.736 4.126 5.232 . 0 0 "[ . 1]" 1
190 1 12 TYR HB2 1 12 TYR QD 2.200 . 3.300 2.433 2.323 2.713 . 0 0 "[ . 1]" 1
191 1 12 TYR HB2 1 30 VAL MG1 3.500 . 5.500 3.126 2.373 4.401 . 0 0 "[ . 1]" 1
192 1 12 TYR HB2 1 30 VAL MG2 3.500 . 5.500 3.007 2.316 3.564 . 0 0 "[ . 1]" 1
193 1 12 TYR HB3 1 12 TYR QD 2.300 . 3.500 2.376 2.259 2.553 . 0 0 "[ . 1]" 1
194 1 12 TYR HB3 1 30 VAL MG1 3.500 . 5.500 3.199 2.541 4.370 . 0 0 "[ . 1]" 1
195 1 12 TYR HB3 1 30 VAL MG2 3.500 . 5.500 2.328 1.936 2.896 0.034 7 0 "[ . 1]" 1
196 1 12 TYR QD 1 13 ASN H 3.300 . 5.100 3.670 2.838 4.022 . 0 0 "[ . 1]" 1
197 1 12 TYR QD 1 14 GLY H 3.100 . 4.800 3.018 2.598 3.707 . 0 0 "[ . 1]" 1
198 1 12 TYR QD 1 30 VAL MG1 2.600 . 3.900 2.620 2.047 3.235 . 0 0 "[ . 1]" 1
199 1 12 TYR QD 1 30 VAL MG2 2.600 . 3.900 2.800 2.033 3.395 . 0 0 "[ . 1]" 1
200 1 12 TYR QE 1 13 ASN HA 3.900 . 6.300 5.835 4.927 6.351 0.051 3 0 "[ . 1]" 1
201 1 12 TYR QE 1 14 GLY H 3.000 . 4.600 3.577 2.879 4.391 . 0 0 "[ . 1]" 1
202 1 12 TYR QE 1 14 GLY HA2 2.900 . 4.500 4.175 2.611 4.556 0.056 4 0 "[ . 1]" 1
203 1 12 TYR QE 1 14 GLY HA3 3.500 . 5.600 3.013 2.447 3.736 . 0 0 "[ . 1]" 1
204 1 12 TYR QE 1 15 GLU H 2.900 . 4.500 3.690 2.287 4.350 . 0 0 "[ . 1]" 1
205 1 12 TYR QE 1 15 GLU HB3 4.400 . 6.500 5.668 4.240 6.545 0.045 10 0 "[ . 1]" 1
206 1 12 TYR QE 1 16 ARG HA 2.900 . 4.500 3.278 2.456 4.576 0.076 5 0 "[ . 1]" 1
207 1 12 TYR QE 1 16 ARG QD 3.500 . 5.500 4.201 3.110 6.525 1.025 1 1 "[+ . 1]" 1
208 1 12 TYR QE 1 16 ARG QG 3.500 . 5.500 2.876 1.739 4.439 0.231 6 0 "[ . 1]" 1
209 1 12 TYR QE 1 30 VAL MG1 3.100 . 4.800 3.215 2.438 3.801 . 0 0 "[ . 1]" 1
210 1 12 TYR QE 1 30 VAL MG2 3.100 . 4.800 3.938 3.123 4.656 . 0 0 "[ . 1]" 1
211 1 12 TYR QE 1 39 VAL HA 4.100 . 6.500 5.961 4.902 6.661 0.161 6 0 "[ . 1]" 1
212 1 12 TYR QE 1 39 VAL HB 3.400 . 5.400 5.457 4.897 5.717 0.317 6 0 "[ . 1]" 1
213 1 12 TYR QE 1 39 VAL MG1 2.600 . 3.900 3.436 2.776 4.166 0.266 4 0 "[ . 1]" 1
214 1 12 TYR QE 1 39 VAL MG2 2.200 . 6.500 4.085 3.283 6.163 . 0 0 "[ . 1]" 1
215 1 13 ASN H 1 13 ASN HB2 3.700 . 5.900 2.830 2.449 4.012 . 0 0 "[ . 1]" 1
216 1 13 ASN H 1 13 ASN HB3 3.800 . 6.100 3.320 2.527 4.096 . 0 0 "[ . 1]" 1
217 1 13 ASN H 1 14 GLY H 4.000 . 6.500 3.058 2.588 4.297 . 0 0 "[ . 1]" 1
218 1 13 ASN HA 1 13 ASN HB2 2.600 . 3.900 2.805 2.425 3.042 . 0 0 "[ . 1]" 1
219 1 13 ASN HA 1 13 ASN HB3 2.700 . 4.100 2.655 2.468 3.039 . 0 0 "[ . 1]" 1
220 1 13 ASN HA 1 13 ASN HD22 4.600 . 6.500 4.521 3.491 5.077 . 0 0 "[ . 1]" 1
221 1 13 ASN HA 1 14 GLY H 3.000 . 4.600 2.932 2.075 3.449 . 0 0 "[ . 1]" 1
222 1 13 ASN HB2 1 13 ASN HD21 3.300 . 5.200 2.621 2.143 3.529 . 0 0 "[ . 1]" 1
223 1 13 ASN HB2 1 14 GLY H 4.400 . 6.500 3.861 2.818 4.433 . 0 0 "[ . 1]" 1
224 1 13 ASN HB3 1 13 ASN HD21 3.200 . 5.000 2.856 2.291 3.510 . 0 0 "[ . 1]" 1
225 1 13 ASN HB3 1 13 ASN HD22 3.800 . 6.100 3.750 3.489 4.068 . 0 0 "[ . 1]" 1
226 1 14 GLY H 1 15 GLU H 3.600 . 5.700 4.013 2.173 4.554 . 0 0 "[ . 1]" 1
227 1 14 GLY HA2 1 15 GLU H 2.600 . 3.900 2.725 2.409 3.582 . 0 0 "[ . 1]" 1
228 1 14 GLY HA3 1 15 GLU H 2.800 . 4.300 2.589 2.308 3.338 . 0 0 "[ . 1]" 1
229 1 15 GLU H 1 15 GLU HA 2.800 . 4.300 2.780 2.267 2.928 . 0 0 "[ . 1]" 1
230 1 15 GLU H 1 15 GLU HB2 2.600 . 4.000 2.593 2.411 3.616 . 0 0 "[ . 1]" 1
231 1 15 GLU H 1 15 GLU HB3 3.200 . 5.000 3.534 2.605 4.091 . 0 0 "[ . 1]" 1
232 1 15 GLU H 1 15 GLU HG2 3.600 . 5.700 3.207 2.210 4.713 . 0 0 "[ . 1]" 1
233 1 15 GLU H 1 15 GLU HG3 3.400 . 5.400 3.489 2.109 4.448 . 0 0 "[ . 1]" 1
234 1 15 GLU H 1 16 ARG H 3.900 . 6.300 3.423 2.352 4.406 . 0 0 "[ . 1]" 1
235 1 15 GLU HA 1 15 GLU HG2 3.500 . 5.600 3.162 2.573 3.720 . 0 0 "[ . 1]" 1
236 1 15 GLU HA 1 15 GLU HG3 3.400 . 5.300 3.248 2.424 3.782 . 0 0 "[ . 1]" 1
237 1 15 GLU HA 1 16 ARG H 2.400 . 3.600 2.688 1.736 3.543 . 0 0 "[ . 1]" 1
238 1 15 GLU HB2 1 15 GLU HG2 2.900 . 4.500 2.591 2.391 3.029 . 0 0 "[ . 1]" 1
239 1 15 GLU HB2 1 16 ARG H 3.700 . 5.900 3.706 2.903 4.397 . 0 0 "[ . 1]" 1
240 1 15 GLU HB2 1 17 PHE H 3.700 . 5.900 5.186 3.133 6.230 0.330 5 0 "[ . 1]" 1
241 1 15 GLU HB3 1 15 GLU HG2 2.900 . 4.500 2.705 2.349 3.016 . 0 0 "[ . 1]" 1
242 1 15 GLU HB3 1 17 PHE H 4.000 . 6.500 4.858 3.281 6.301 . 0 0 "[ . 1]" 1
243 1 15 GLU HG2 1 16 ARG H 3.200 . 6.500 4.883 4.387 5.719 . 0 0 "[ . 1]" 1
244 1 15 GLU HG3 1 16 ARG H 3.300 . 6.500 4.824 3.131 5.524 . 0 0 "[ . 1]" 1
245 1 16 ARG H 1 16 ARG HA 2.700 . 4.100 2.684 2.207 2.949 . 0 0 "[ . 1]" 1
246 1 16 ARG H 1 16 ARG HB2 3.000 . 4.700 3.181 2.220 3.868 . 0 0 "[ . 1]" 1
247 1 16 ARG H 1 16 ARG HB3 3.500 . 5.500 3.293 2.355 4.088 . 0 0 "[ . 1]" 1
248 1 16 ARG H 1 16 ARG QD 3.800 . 6.100 3.984 1.946 4.836 0.054 8 0 "[ . 1]" 1
249 1 16 ARG H 1 16 ARG QG 3.000 . 4.700 2.643 1.532 3.874 0.348 1 0 "[ . 1]" 1
250 1 16 ARG H 1 17 PHE H 3.300 . 5.200 3.698 2.282 4.538 . 0 0 "[ . 1]" 1
251 1 16 ARG HA 1 16 ARG HB3 2.600 . 4.000 2.502 2.375 2.969 . 0 0 "[ . 1]" 1
252 1 16 ARG HA 1 16 ARG QD 3.500 . 5.500 3.945 2.268 4.581 . 0 0 "[ . 1]" 1
253 1 16 ARG HA 1 17 PHE H 2.600 . 4.000 2.564 2.015 3.439 . 0 0 "[ . 1]" 1
254 1 16 ARG HA 1 39 VAL MG1 3.800 . 6.100 3.484 2.790 4.394 . 0 0 "[ . 1]" 1
255 1 16 ARG HA 1 39 VAL MG2 3.400 . 5.300 4.568 3.447 5.988 0.688 1 1 "[+ . 1]" 1
256 1 16 ARG HB2 1 17 PHE H 4.200 . 6.500 3.733 2.319 4.444 . 0 0 "[ . 1]" 1
257 1 16 ARG HB2 1 25 LEU MD1 3.500 . 5.500 3.662 1.856 4.937 0.114 2 0 "[ . 1]" 1
258 1 16 ARG HB3 1 16 ARG QD 3.200 . 5.000 2.687 2.336 3.278 . 0 0 "[ . 1]" 1
259 1 16 ARG HB3 1 17 PHE H 4.200 . 6.500 3.898 1.897 4.436 0.103 7 0 "[ . 1]" 1
260 1 16 ARG QD 1 16 ARG QG 2.700 . 4.100 2.058 1.979 2.120 . 0 0 "[ . 1]" 1
261 1 16 ARG QG 1 17 PHE H 4.400 . 6.500 4.011 2.841 4.540 . 0 0 "[ . 1]" 1
262 1 16 ARG QG 1 30 VAL HA 4.500 . 6.500 5.400 3.897 7.905 1.405 1 1 "[+ . 1]" 1
263 1 17 PHE H 1 17 PHE HA 3.000 . 4.600 2.832 2.329 3.014 . 0 0 "[ . 1]" 1
264 1 17 PHE H 1 17 PHE HB2 2.800 . 4.300 2.539 2.135 3.362 . 0 0 "[ . 1]" 1
265 1 17 PHE H 1 17 PHE HB3 2.800 . 4.300 3.681 3.519 3.877 . 0 0 "[ . 1]" 1
266 1 17 PHE H 1 17 PHE QD 3.000 . 4.600 2.994 2.436 3.556 . 0 0 "[ . 1]" 1
267 1 17 PHE H 1 18 CYS H 3.700 . 5.900 4.536 4.339 4.771 . 0 0 "[ . 1]" 1
268 1 17 PHE H 1 24 GLU HA 4.800 . 6.500 4.669 2.871 6.031 . 0 0 "[ . 1]" 1
269 1 17 PHE H 1 25 LEU MD1 3.100 . 4.800 3.487 2.118 5.070 0.270 10 0 "[ . 1]" 1
270 1 17 PHE H 1 25 LEU MD2 4.100 . 6.500 3.630 2.460 4.206 . 0 0 "[ . 1]" 1
271 1 17 PHE H 1 25 LEU HG 3.800 . 6.100 3.234 2.178 4.483 . 0 0 "[ . 1]" 1
272 1 17 PHE H 1 39 VAL MG2 3.400 . 5.300 4.480 3.871 4.917 . 0 0 "[ . 1]" 1
273 1 17 PHE HA 1 17 PHE HB2 2.600 . 3.900 2.792 2.700 3.052 . 0 0 "[ . 1]" 1
274 1 17 PHE HA 1 17 PHE HB3 2.600 . 3.900 2.246 2.077 2.480 . 0 0 "[ . 1]" 1
275 1 17 PHE HA 1 17 PHE QD 2.400 . 3.600 2.777 2.342 2.950 . 0 0 "[ . 1]" 1
276 1 17 PHE HA 1 17 PHE QE 3.800 . 6.100 4.616 4.248 4.741 . 0 0 "[ . 1]" 1
277 1 17 PHE HA 1 18 CYS H 2.500 . 3.800 2.464 2.216 2.809 . 0 0 "[ . 1]" 1
278 1 17 PHE HA 1 18 CYS HB2 5.000 . 6.500 5.813 5.597 5.967 . 0 0 "[ . 1]" 1
279 1 17 PHE HA 1 18 CYS HB3 4.200 . 6.500 4.717 4.459 4.924 . 0 0 "[ . 1]" 1
280 1 17 PHE HA 1 24 GLU H 3.600 . 5.700 4.327 3.190 5.404 . 0 0 "[ . 1]" 1
281 1 17 PHE HA 1 25 LEU H 3.000 . 4.600 2.372 1.908 2.976 . 0 0 "[ . 1]" 1
282 1 17 PHE HA 1 25 LEU HB2 5.100 . 6.500 4.274 3.689 4.687 . 0 0 "[ . 1]" 1
283 1 17 PHE HA 1 25 LEU HB3 5.100 . 6.500 4.439 2.023 4.897 . 0 0 "[ . 1]" 1
284 1 17 PHE HA 1 25 LEU MD1 3.700 . 5.900 3.842 3.249 4.629 . 0 0 "[ . 1]" 1
285 1 17 PHE HA 1 25 LEU MD2 2.900 . 4.400 2.793 2.392 3.175 . 0 0 "[ . 1]" 1
286 1 17 PHE HB2 1 17 PHE QD 2.100 . 3.100 2.494 2.391 2.586 . 0 0 "[ . 1]" 1
287 1 17 PHE HB2 1 17 PHE QE 3.300 . 5.100 4.539 4.464 4.618 . 0 0 "[ . 1]" 1
288 1 17 PHE HB2 1 22 GLN HA 2.900 . 4.400 4.426 3.728 4.582 0.182 3 0 "[ . 1]" 1
289 1 17 PHE HB2 1 24 GLU HA 4.200 . 6.500 4.420 4.017 5.170 . 0 0 "[ . 1]" 1
290 1 17 PHE HB2 1 25 LEU HB2 4.600 . 6.500 6.546 6.119 6.719 0.219 5 0 "[ . 1]" 1
291 1 17 PHE HB2 1 25 LEU HB3 4.600 . 6.500 6.666 4.716 7.006 0.506 6 1 "[ .+ 1]" 1
292 1 17 PHE HB2 1 25 LEU MD1 4.900 . 6.500 4.941 4.028 6.607 0.107 10 0 "[ . 1]" 1
293 1 17 PHE HB3 1 17 PHE QD 2.100 . 3.100 2.455 2.207 2.565 . 0 0 "[ . 1]" 1
294 1 17 PHE HB3 1 17 PHE QE 3.300 . 5.100 4.457 4.220 4.531 . 0 0 "[ . 1]" 1
295 1 17 PHE HB3 1 22 GLN HA 2.900 . 4.400 3.528 2.005 4.361 . 0 0 "[ . 1]" 1
296 1 17 PHE HB3 1 24 GLU HA 4.200 . 6.500 3.267 2.596 4.047 . 0 0 "[ . 1]" 1
297 1 17 PHE HB3 1 25 LEU HB2 4.600 . 6.500 6.385 5.474 6.635 0.135 7 0 "[ . 1]" 1
298 1 17 PHE HB3 1 25 LEU HB3 4.600 . 6.500 6.396 3.945 6.764 0.264 9 0 "[ . 1]" 1
299 1 17 PHE HB3 1 25 LEU MD1 4.900 . 6.500 5.309 4.429 6.199 . 0 0 "[ . 1]" 1
300 1 17 PHE QD 1 24 GLU H 2.700 . 4.100 3.168 1.712 3.851 0.078 10 0 "[ . 1]" 1
301 1 17 PHE QD 1 24 GLU HA 2.200 . 3.300 2.092 1.718 2.450 . 0 0 "[ . 1]" 1
302 1 17 PHE QD 1 24 GLU HB2 3.600 . 5.800 3.093 2.336 4.596 . 0 0 "[ . 1]" 1
303 1 17 PHE QD 1 24 GLU HB3 3.600 . 5.800 3.946 2.122 4.594 . 0 0 "[ . 1]" 1
304 1 17 PHE QD 1 25 LEU MD1 4.900 . 6.500 5.243 4.557 5.776 . 0 0 "[ . 1]" 1
305 1 17 PHE QE 1 24 GLU H 3.300 . 5.200 4.497 2.855 5.304 0.104 6 0 "[ . 1]" 1
306 1 17 PHE QE 1 24 GLU HA 2.600 . 3.900 3.616 2.444 3.920 0.020 1 0 "[ . 1]" 1
307 1 17 PHE QE 1 24 GLU HB2 3.000 . 4.600 3.126 2.442 4.636 0.036 7 0 "[ . 1]" 1
308 1 17 PHE QE 1 24 GLU HB3 3.000 . 4.600 4.276 2.636 4.762 0.162 10 0 "[ . 1]" 1
309 1 17 PHE QE 1 24 GLU HG2 3.200 . 5.000 4.427 2.498 5.051 0.051 10 0 "[ . 1]" 1
310 1 17 PHE QE 1 24 GLU HG3 3.200 . 5.000 3.413 2.147 5.046 0.046 6 0 "[ . 1]" 1
311 1 18 CYS H 1 18 CYS HB2 3.000 . 4.600 3.733 3.637 3.864 . 0 0 "[ . 1]" 1
312 1 18 CYS H 1 18 CYS HB3 2.600 . 3.900 2.842 2.658 3.089 . 0 0 "[ . 1]" 1
313 1 18 CYS H 1 19 TYR H 4.200 . 6.500 4.591 4.385 4.732 . 0 0 "[ . 1]" 1
314 1 18 CYS H 1 25 LEU MD1 3.600 . 5.700 4.684 3.797 5.309 . 0 0 "[ . 1]" 1
315 1 18 CYS H 1 25 LEU HG 3.600 . 5.800 3.951 3.399 4.902 . 0 0 "[ . 1]" 1
316 1 18 CYS H 1 41 CYS H 4.700 . 6.500 5.207 4.766 5.546 . 0 0 "[ . 1]" 1
317 1 18 CYS HA 1 18 CYS HB2 2.900 . 4.400 2.318 2.147 2.408 . 0 0 "[ . 1]" 1
318 1 18 CYS HA 1 18 CYS HB3 3.000 . 4.600 2.608 2.413 2.824 . 0 0 "[ . 1]" 1
319 1 18 CYS HA 1 24 GLU H 4.300 . 6.500 6.877 6.562 7.052 0.552 3 3 "[- + . * 1]" 1
320 1 18 CYS HA 1 25 LEU MD2 2.700 . 4.100 2.476 2.084 3.188 . 0 0 "[ . 1]" 1
321 1 18 CYS HA 1 31 TYR HB3 4.500 . 6.500 6.779 6.586 6.916 0.416 6 0 "[ . 1]" 1
322 1 18 CYS HA 1 37 GLN HE21 3.500 . 5.500 4.645 2.800 5.929 0.429 5 0 "[ . 1]" 1
323 1 18 CYS HA 1 39 VAL H 2.800 . 6.500 5.078 4.154 5.771 . 0 0 "[ . 1]" 1
324 1 18 CYS HA 1 39 VAL MG1 4.000 . 6.500 3.569 2.762 5.309 . 0 0 "[ . 1]" 1
325 1 18 CYS HA 1 39 VAL MG2 3.200 . 6.500 4.631 2.755 5.424 . 0 0 "[ . 1]" 1
326 1 18 CYS HA 1 40 PHE HA 2.800 . 4.300 2.436 1.784 3.403 0.036 2 0 "[ . 1]" 1
327 1 18 CYS HA 1 41 CYS H 4.100 . 6.500 3.859 3.077 4.269 . 0 0 "[ . 1]" 1
328 1 18 CYS HB2 1 19 TYR H 3.000 . 4.600 2.982 2.637 3.283 . 0 0 "[ . 1]" 1
329 1 18 CYS HB2 1 25 LEU MD1 5.000 . 6.500 5.466 4.477 6.436 . 0 0 "[ . 1]" 1
330 1 18 CYS HB2 1 25 LEU MD2 3.700 . 5.900 3.563 3.000 4.573 . 0 0 "[ . 1]" 1
331 1 18 CYS HB2 1 40 PHE HA 3.100 . 4.800 2.397 1.831 3.681 0.069 5 0 "[ . 1]" 1
332 1 18 CYS HB3 1 19 TYR H 4.200 . 6.500 4.278 3.975 4.496 . 0 0 "[ . 1]" 1
333 1 18 CYS HB3 1 21 CYS H 4.000 . 6.500 4.516 4.357 4.748 . 0 0 "[ . 1]" 1
334 1 18 CYS HB3 1 25 LEU MD1 4.200 . 6.500 4.785 4.013 5.665 . 0 0 "[ . 1]" 1
335 1 18 CYS HB3 1 40 PHE HA 3.500 . 5.600 3.035 2.538 3.843 . 0 0 "[ . 1]" 1
336 1 18 CYS HB3 1 41 CYS H 3.000 . 4.600 2.487 2.096 2.964 . 0 0 "[ . 1]" 1
337 1 18 CYS HB3 1 41 CYS HA 3.600 . 5.700 3.420 3.180 3.589 . 0 0 "[ . 1]" 1
338 1 18 CYS HB3 1 41 CYS HB2 3.300 . 5.200 3.052 2.799 3.431 . 0 0 "[ . 1]" 1
339 1 18 CYS HB3 1 42 VAL HA 3.600 . 6.500 6.716 6.595 6.782 0.282 3 0 "[ . 1]" 1
340 1 19 TYR H 1 19 TYR HA 2.700 . 4.100 2.813 2.723 2.884 . 0 0 "[ . 1]" 1
341 1 19 TYR H 1 19 TYR HB2 2.800 . 4.300 3.236 1.875 3.794 . 0 0 "[ . 1]" 1
342 1 19 TYR H 1 19 TYR HB3 2.800 . 4.300 2.390 1.948 2.937 . 0 0 "[ . 1]" 1
343 1 19 TYR H 1 19 TYR QD 2.800 . 4.300 3.022 2.045 4.105 . 0 0 "[ . 1]" 1
344 1 19 TYR H 1 19 TYR QE 3.900 . 6.300 4.836 3.918 5.973 . 0 0 "[ . 1]" 1
345 1 19 TYR H 1 20 GLY H 2.700 . 4.100 2.760 2.503 2.916 . 0 0 "[ . 1]" 1
346 1 19 TYR H 1 20 GLY HA2 5.100 . 6.500 5.324 5.111 5.463 . 0 0 "[ . 1]" 1
347 1 19 TYR H 1 21 CYS H 4.700 . 6.500 4.727 4.404 5.064 . 0 0 "[ . 1]" 1
348 1 19 TYR H 1 22 GLN H 4.500 . 6.500 4.821 4.519 5.301 . 0 0 "[ . 1]" 1
349 1 19 TYR H 1 25 LEU MD1 4.400 . 6.500 6.035 5.230 6.621 0.121 4 0 "[ . 1]" 1
350 1 19 TYR H 1 25 LEU MD2 4.300 . 6.500 4.517 3.768 5.092 . 0 0 "[ . 1]" 1
351 1 19 TYR H 1 39 VAL H 4.000 . 6.500 4.281 3.300 5.066 . 0 0 "[ . 1]" 1
352 1 19 TYR H 1 39 VAL MG1 4.700 . 6.500 4.848 3.747 6.178 . 0 0 "[ . 1]" 1
353 1 19 TYR H 1 39 VAL MG2 3.500 . 5.600 4.870 2.357 5.761 0.161 2 0 "[ . 1]" 1
354 1 19 TYR H 1 40 PHE HA 3.300 . 5.200 3.553 2.407 4.557 . 0 0 "[ . 1]" 1
355 1 19 TYR H 1 40 PHE QD 3.500 . 5.500 4.080 3.255 5.035 . 0 0 "[ . 1]" 1
356 1 19 TYR H 1 40 PHE QE 3.300 . 5.200 4.516 3.441 5.513 0.313 2 0 "[ . 1]" 1
357 1 19 TYR H 1 41 CYS H 4.500 . 6.500 5.093 4.030 5.579 . 0 0 "[ . 1]" 1
358 1 19 TYR HA 1 19 TYR QD 2.600 . 3.900 3.477 2.551 3.806 . 0 0 "[ . 1]" 1
359 1 19 TYR HA 1 22 GLN HE21 3.600 . 5.700 4.156 3.077 5.327 . 0 0 "[ . 1]" 1
360 1 19 TYR HA 1 22 GLN HE22 3.700 . 5.900 5.495 2.546 6.026 0.126 9 0 "[ . 1]" 1
361 1 19 TYR HB2 1 19 TYR QD 2.300 . 3.500 2.477 2.238 2.688 . 0 0 "[ . 1]" 1
362 1 19 TYR HB2 1 37 GLN HB2 3.400 . 6.500 4.671 4.019 6.105 . 0 0 "[ . 1]" 1
363 1 19 TYR HB2 1 37 GLN HB3 3.400 . 6.500 4.288 3.008 5.466 . 0 0 "[ . 1]" 1
364 1 19 TYR HB2 1 37 GLN HG2 2.700 . 4.100 3.742 2.985 4.292 0.192 5 0 "[ . 1]" 1
365 1 19 TYR HB2 1 38 ASN H 4.400 . 6.500 6.028 3.625 6.707 0.207 8 0 "[ . 1]" 1
366 1 19 TYR HB3 1 19 TYR QD 2.300 . 3.500 2.343 2.062 2.687 . 0 0 "[ . 1]" 1
367 1 19 TYR HB3 1 37 GLN HB2 3.400 . 6.500 4.391 2.869 6.430 . 0 0 "[ . 1]" 1
368 1 19 TYR HB3 1 37 GLN HB3 3.400 . 6.500 4.137 2.154 6.605 0.105 4 0 "[ . 1]" 1
369 1 19 TYR HB3 1 37 GLN HG2 2.700 . 4.100 3.176 2.503 4.289 0.189 4 0 "[ . 1]" 1
370 1 19 TYR HB3 1 38 ASN H 4.400 . 6.500 5.516 5.008 6.071 . 0 0 "[ . 1]" 1
371 1 19 TYR QD 1 20 GLY HA2 3.500 . 5.500 3.200 2.476 3.965 . 0 0 "[ . 1]" 1
372 1 19 TYR QD 1 33 CYS H 3.600 . 5.700 5.618 4.809 5.883 0.183 9 0 "[ . 1]" 1
373 1 19 TYR QD 1 33 CYS QB 2.500 . 6.500 4.740 3.351 5.300 . 0 0 "[ . 1]" 1
374 1 19 TYR QD 1 38 ASN H 3.600 . 5.800 4.124 1.983 4.970 . 0 0 "[ . 1]" 1
375 1 19 TYR QD 1 38 ASN HA 3.600 . 5.700 5.557 4.580 5.896 0.196 10 0 "[ . 1]" 1
376 1 19 TYR QD 1 39 VAL H 3.500 . 5.500 3.732 2.955 4.367 . 0 0 "[ . 1]" 1
377 1 19 TYR QD 1 39 VAL MG2 3.700 . 5.900 5.258 3.864 6.044 0.144 9 0 "[ . 1]" 1
378 1 19 TYR QD 1 56 PRO HB3 2.900 . 6.500 4.893 3.174 5.901 . 0 0 "[ . 1]" 1
379 1 19 TYR QD 1 56 PRO HG2 2.900 . 6.500 4.450 2.354 5.576 . 0 0 "[ . 1]" 1
380 1 19 TYR QD 1 56 PRO HG3 2.900 . 6.500 5.560 2.827 6.578 0.078 5 0 "[ . 1]" 1
381 1 19 TYR QD 1 57 GLY H 3.600 . 5.700 4.761 3.069 5.911 0.211 9 0 "[ . 1]" 1
382 1 19 TYR QE 1 20 GLY HA3 3.300 . 5.200 4.909 4.504 5.418 0.218 4 0 "[ . 1]" 1
383 1 19 TYR QE 1 33 CYS H 3.800 . 6.100 5.723 3.958 6.286 0.186 10 0 "[ . 1]" 1
384 1 19 TYR QE 1 33 CYS QB 2.800 . 4.300 4.065 2.676 4.794 0.494 5 0 "[ . 1]" 1
385 1 19 TYR QE 1 38 ASN HA 3.900 . 6.300 5.710 4.076 6.387 0.087 3 0 "[ . 1]" 1
386 1 19 TYR QE 1 39 VAL H 3.800 . 6.100 4.959 3.322 6.058 . 0 0 "[ . 1]" 1
387 1 19 TYR QE 1 56 PRO HA 4.100 . 6.500 4.870 3.884 5.493 . 0 0 "[ . 1]" 1
388 1 19 TYR QE 1 56 PRO HB2 2.500 . 3.800 2.860 2.153 3.829 0.029 5 0 "[ . 1]" 1
389 1 19 TYR QE 1 56 PRO HB3 3.100 . 4.800 4.124 3.492 4.856 0.056 5 0 "[ . 1]" 1
390 1 19 TYR QE 1 57 GLY H 3.100 . 4.800 3.162 2.548 4.242 . 0 0 "[ . 1]" 1
391 1 19 TYR QE 1 57 GLY HA2 2.500 . 3.800 3.255 1.863 3.798 . 0 0 "[ . 1]" 1
392 1 19 TYR QE 1 57 GLY HA3 2.500 . 3.800 2.327 1.882 2.800 . 0 0 "[ . 1]" 1
393 1 19 TYR QE 1 58 CYS H 3.800 . 6.100 4.810 4.077 5.430 . 0 0 "[ . 1]" 1
394 1 19 TYR QE 1 58 CYS HA 2.900 . 6.500 5.600 3.836 6.507 0.007 3 0 "[ . 1]" 1
395 1 20 GLY H 1 20 GLY HA2 2.500 . 3.800 2.802 2.757 2.898 . 0 0 "[ . 1]" 1
396 1 20 GLY H 1 21 CYS H 2.700 . 4.100 2.865 2.414 3.043 . 0 0 "[ . 1]" 1
397 1 20 GLY H 1 22 GLN HA 4.300 . 6.500 5.400 5.018 6.016 . 0 0 "[ . 1]" 1
398 1 20 GLY HA2 1 47 PHE QD 3.000 . 4.600 4.558 3.772 4.767 0.167 1 0 "[ . 1]" 1
399 1 20 GLY HA3 1 21 CYS H 3.600 . 5.700 2.806 2.518 3.131 . 0 0 "[ . 1]" 1
400 1 21 CYS H 1 21 CYS HB2 3.700 . 5.900 3.297 2.533 4.011 . 0 0 "[ . 1]" 1
401 1 21 CYS H 1 21 CYS HB3 3.100 . 4.800 3.482 3.133 3.731 . 0 0 "[ . 1]" 1
402 1 21 CYS H 1 22 GLN H 2.600 . 3.900 2.095 1.740 2.532 0.020 9 0 "[ . 1]" 1
403 1 21 CYS H 1 22 GLN HA 4.100 . 6.500 4.178 3.683 4.683 . 0 0 "[ . 1]" 1
404 1 21 CYS H 1 23 GLY H 3.700 . 6.000 3.512 2.888 4.253 . 0 0 "[ . 1]" 1
405 1 21 CYS H 1 40 PHE QD 3.900 . 6.300 5.764 5.001 6.483 0.183 7 0 "[ . 1]" 1
406 1 21 CYS HA 1 21 CYS HB2 2.600 . 3.900 2.729 2.367 3.046 . 0 0 "[ . 1]" 1
407 1 21 CYS HA 1 21 CYS HB3 2.500 . 3.800 2.483 2.350 2.536 . 0 0 "[ . 1]" 1
408 1 21 CYS HA 1 23 GLY H 4.100 . 6.500 4.570 4.306 4.749 . 0 0 "[ . 1]" 1
409 1 21 CYS HB2 1 22 GLN H 3.900 . 6.300 3.719 2.942 4.472 . 0 0 "[ . 1]" 1
410 1 21 CYS HB3 1 22 GLN H 4.300 . 6.500 4.201 3.905 4.509 . 0 0 "[ . 1]" 1
411 1 21 CYS HB3 1 23 GLY H 4.000 . 6.500 4.131 3.397 4.656 . 0 0 "[ . 1]" 1
412 1 22 GLN H 1 22 GLN HA 2.300 . 3.400 2.228 2.189 2.267 . 0 0 "[ . 1]" 1
413 1 22 GLN H 1 22 GLN HB2 3.700 . 5.900 3.520 3.432 3.579 . 0 0 "[ . 1]" 1
414 1 22 GLN H 1 22 GLN HB3 3.700 . 5.900 4.005 3.930 4.059 . 0 0 "[ . 1]" 1
415 1 22 GLN H 1 22 GLN HG2 3.300 . 5.100 3.264 2.882 3.419 . 0 0 "[ . 1]" 1
416 1 22 GLN H 1 22 GLN HG3 2.900 . 4.400 2.857 2.448 4.406 0.006 10 0 "[ . 1]" 1
417 1 22 GLN H 1 23 GLY H 2.900 . 4.500 2.524 2.403 2.822 . 0 0 "[ . 1]" 1
418 1 22 GLN HA 1 22 GLN HB2 2.700 . 4.100 3.047 3.027 3.062 . 0 0 "[ . 1]" 1
419 1 22 GLN HA 1 22 GLN HB3 2.700 . 4.100 2.499 2.473 2.524 . 0 0 "[ . 1]" 1
420 1 22 GLN HA 1 22 GLN HE21 4.300 . 6.500 4.580 4.020 4.784 . 0 0 "[ . 1]" 1
421 1 22 GLN HA 1 22 GLN HE22 4.100 . 6.500 5.642 4.007 5.921 . 0 0 "[ . 1]" 1
422 1 22 GLN HA 1 22 GLN HG2 2.800 . 4.300 2.571 2.417 3.100 . 0 0 "[ . 1]" 1
423 1 22 GLN HA 1 22 GLN HG3 2.600 . 4.000 3.119 2.976 3.796 . 0 0 "[ . 1]" 1
424 1 22 GLN HB2 1 22 GLN HE21 4.200 . 6.500 4.307 2.996 4.523 . 0 0 "[ . 1]" 1
425 1 22 GLN HB3 1 22 GLN HE21 4.200 . 6.500 3.901 1.970 4.402 0.030 9 0 "[ . 1]" 1
426 1 22 GLN HE21 1 22 GLN HG3 3.300 . 5.200 2.891 2.724 3.536 . 0 0 "[ . 1]" 1
427 1 22 GLN HE22 1 22 GLN HG3 3.700 . 5.900 3.753 3.676 4.027 . 0 0 "[ . 1]" 1
428 1 23 GLY H 1 24 GLU H 2.900 . 4.400 3.949 2.710 4.261 . 0 0 "[ . 1]" 1
429 1 23 GLY HA2 1 24 GLU H 2.600 . 3.900 2.686 1.904 3.439 . 0 0 "[ . 1]" 1
430 1 23 GLY HA2 1 24 GLU HG2 3.900 . 6.500 5.966 4.435 6.516 0.016 5 0 "[ . 1]" 1
431 1 23 GLY HA2 1 24 GLU HG3 3.900 . 6.500 5.535 3.579 6.261 . 0 0 "[ . 1]" 1
432 1 23 GLY HA3 1 24 GLU H 2.700 . 4.100 2.473 2.245 2.944 . 0 0 "[ . 1]" 1
433 1 24 GLU H 1 24 GLU HA 2.600 . 4.000 2.757 2.194 2.951 . 0 0 "[ . 1]" 1
434 1 24 GLU H 1 24 GLU HG2 3.100 . 4.800 4.102 2.150 4.777 . 0 0 "[ . 1]" 1
435 1 24 GLU H 1 24 GLU HG3 3.100 . 4.800 4.152 2.189 4.703 . 0 0 "[ . 1]" 1
436 1 24 GLU H 1 25 LEU H 3.800 . 6.100 4.262 3.862 4.507 . 0 0 "[ . 1]" 1
437 1 24 GLU HA 1 24 GLU HG2 3.000 . 4.700 3.016 2.485 3.714 . 0 0 "[ . 1]" 1
438 1 24 GLU HA 1 24 GLU HG3 3.000 . 4.700 2.797 2.547 3.689 . 0 0 "[ . 1]" 1
439 1 24 GLU HA 1 25 LEU HG 4.100 . 6.500 3.746 3.131 5.237 . 0 0 "[ . 1]" 1
440 1 24 GLU HG2 1 25 LEU H 3.500 . 5.500 3.216 2.523 4.783 . 0 0 "[ . 1]" 1
441 1 24 GLU HG3 1 25 LEU H 3.500 . 5.500 3.460 2.713 4.961 . 0 0 "[ . 1]" 1
442 1 25 LEU H 1 25 LEU MD1 3.600 . 5.700 3.726 3.442 4.279 . 0 0 "[ . 1]" 1
443 1 25 LEU H 1 25 LEU MD2 2.700 . 4.100 3.008 2.698 4.129 0.029 10 0 "[ . 1]" 1
444 1 25 LEU H 1 25 LEU HG 2.200 . 3.300 2.246 1.744 3.487 0.187 10 0 "[ . 1]" 1
445 1 25 LEU H 1 26 LYS H 3.300 . 5.200 2.690 2.203 3.782 . 0 0 "[ . 1]" 1
446 1 25 LEU HA 1 25 LEU HB2 2.700 . 4.100 2.943 2.205 3.085 . 0 0 "[ . 1]" 1
447 1 25 LEU HA 1 25 LEU HB3 2.700 . 4.100 2.249 2.066 2.926 . 0 0 "[ . 1]" 1
448 1 25 LEU HA 1 25 LEU MD2 2.700 . 4.100 2.238 1.913 4.121 0.021 10 0 "[ . 1]" 1
449 1 25 LEU HA 1 25 LEU HG 3.000 . 4.700 3.319 3.108 3.585 . 0 0 "[ . 1]" 1
450 1 25 LEU HA 1 26 LYS H 2.700 . 4.100 3.229 3.038 3.409 . 0 0 "[ . 1]" 1
451 1 25 LEU HA 1 27 ASP H 3.200 . 5.000 3.971 3.061 4.440 . 0 0 "[ . 1]" 1
452 1 25 LEU HB2 1 25 LEU MD1 2.400 . 3.600 2.092 1.951 2.251 . 0 0 "[ . 1]" 1
453 1 25 LEU HB2 1 31 TYR QE 3.300 . 6.500 6.500 5.170 6.713 0.213 4 0 "[ . 1]" 1
454 1 25 LEU HB3 1 25 LEU MD1 2.400 . 3.600 2.230 2.051 2.967 . 0 0 "[ . 1]" 1
455 1 25 LEU HB3 1 31 TYR QE 3.300 . 6.500 5.436 5.056 6.750 0.250 10 0 "[ . 1]" 1
456 1 25 LEU MD1 1 25 LEU MD2 1.800 . 2.700 2.010 1.848 2.071 . 0 0 "[ . 1]" 1
457 1 25 LEU MD1 1 25 LEU HG 2.100 . 3.100 2.159 2.103 2.205 . 0 0 "[ . 1]" 1
458 1 25 LEU MD1 1 26 LYS H 3.700 . 5.900 4.256 1.908 4.998 0.082 10 0 "[ . 1]" 1
459 1 25 LEU MD1 1 26 LYS HA 4.200 . 6.500 4.665 3.427 5.730 . 0 0 "[ . 1]" 1
460 1 25 LEU MD1 1 27 ASP H 4.200 . 6.500 5.721 2.627 6.470 . 0 0 "[ . 1]" 1
461 1 25 LEU MD1 1 29 HIS H 3.800 . 6.100 5.835 4.107 6.207 0.107 6 0 "[ . 1]" 1
462 1 25 LEU MD1 1 30 VAL H 3.900 . 6.300 4.669 3.987 5.444 . 0 0 "[ . 1]" 1
463 1 25 LEU MD1 1 30 VAL MG1 2.300 . 3.500 2.095 1.814 2.795 . 0 0 "[ . 1]" 1
464 1 25 LEU MD1 1 30 VAL MG2 2.300 . 3.500 2.579 1.897 3.577 0.077 9 0 "[ . 1]" 1
465 1 25 LEU MD1 1 31 TYR H 3.100 . 4.800 2.680 2.254 3.533 . 0 0 "[ . 1]" 1
466 1 25 LEU MD1 1 39 VAL MG2 2.600 . 6.500 4.028 2.977 5.561 . 0 0 "[ . 1]" 1
467 1 25 LEU MD1 1 40 PHE HA 3.900 . 6.300 4.374 3.500 5.879 . 0 0 "[ . 1]" 1
468 1 25 LEU MD1 1 41 CYS H 4.200 . 6.500 5.080 4.289 6.417 . 0 0 "[ . 1]" 1
469 1 25 LEU MD1 1 41 CYS HA 3.200 . 5.000 3.940 2.304 5.007 0.007 4 0 "[ . 1]" 1
470 1 25 LEU MD1 1 42 VAL H 4.200 . 6.500 5.524 3.810 6.461 . 0 0 "[ . 1]" 1
471 1 25 LEU MD2 1 40 PHE HA 3.400 . 5.400 3.019 2.038 3.955 . 0 0 "[ . 1]" 1
472 1 25 LEU MD2 1 40 PHE QD 3.700 . 6.000 4.744 4.300 5.505 . 0 0 "[ . 1]" 1
473 1 25 LEU MD2 1 41 CYS H 3.100 . 4.800 3.432 2.898 4.557 . 0 0 "[ . 1]" 1
474 1 25 LEU MD2 1 41 CYS HA 2.400 . 3.600 2.556 1.803 3.609 0.009 10 0 "[ . 1]" 1
475 1 25 LEU MD2 1 41 CYS HB3 2.900 . 4.500 4.003 2.518 4.694 0.194 5 0 "[ . 1]" 1
476 1 25 LEU MD2 1 42 VAL H 3.900 . 6.300 4.497 3.671 5.737 . 0 0 "[ . 1]" 1
477 1 25 LEU HG 1 26 LYS HA 3.300 . 6.500 5.281 3.572 5.882 . 0 0 "[ . 1]" 1
478 1 25 LEU HG 1 26 LYS HD2 2.200 . 6.500 6.342 5.477 6.815 0.315 4 0 "[ . 1]" 1
479 1 25 LEU HG 1 26 LYS HD3 2.200 . 6.500 6.450 5.880 6.748 0.248 3 0 "[ . 1]" 1
480 1 26 LYS H 1 26 LYS HA 3.000 . 4.600 2.645 2.275 2.807 . 0 0 "[ . 1]" 1
481 1 26 LYS H 1 26 LYS HB2 3.200 . 5.000 2.681 2.231 3.615 . 0 0 "[ . 1]" 1
482 1 26 LYS H 1 26 LYS HB3 3.200 . 5.000 3.119 2.436 4.123 . 0 0 "[ . 1]" 1
483 1 26 LYS H 1 26 LYS HD2 4.700 . 6.500 4.496 3.910 5.302 . 0 0 "[ . 1]" 1
484 1 26 LYS H 1 26 LYS HD3 4.700 . 6.500 4.446 3.644 5.630 . 0 0 "[ . 1]" 1
485 1 26 LYS H 1 26 LYS HE2 5.100 . 6.500 5.779 4.886 6.370 . 0 0 "[ . 1]" 1
486 1 26 LYS H 1 26 LYS HE3 5.100 . 6.500 5.701 4.360 6.528 0.028 7 0 "[ . 1]" 1
487 1 26 LYS H 1 27 ASP H 2.800 . 4.300 2.865 2.327 3.214 . 0 0 "[ . 1]" 1
488 1 26 LYS HA 1 26 LYS HB2 2.400 . 3.600 2.700 2.322 3.045 . 0 0 "[ . 1]" 1
489 1 26 LYS HA 1 26 LYS HB3 2.400 . 3.600 2.670 2.342 2.998 . 0 0 "[ . 1]" 1
490 1 26 LYS HA 1 26 LYS HD2 4.200 . 6.500 3.571 1.987 4.735 0.013 2 0 "[ . 1]" 1
491 1 26 LYS HA 1 26 LYS HD3 4.200 . 6.500 3.886 3.086 4.616 . 0 0 "[ . 1]" 1
492 1 26 LYS HA 1 27 ASP H 2.900 . 4.400 3.282 2.945 3.517 . 0 0 "[ . 1]" 1
493 1 26 LYS HB2 1 26 LYS HE2 3.500 . 5.500 4.352 3.029 4.724 . 0 0 "[ . 1]" 1
494 1 26 LYS HB2 1 26 LYS HE3 3.500 . 5.500 4.173 2.875 4.565 . 0 0 "[ . 1]" 1
495 1 26 LYS HB2 1 27 ASP H 3.300 . 5.100 3.985 3.185 4.391 . 0 0 "[ . 1]" 1
496 1 26 LYS HB3 1 26 LYS HE2 3.500 . 5.500 4.259 2.139 4.886 . 0 0 "[ . 1]" 1
497 1 26 LYS HB3 1 26 LYS HE3 3.500 . 5.500 4.460 2.163 5.435 . 0 0 "[ . 1]" 1
498 1 26 LYS HB3 1 27 ASP H 3.300 . 5.100 3.878 3.177 4.432 . 0 0 "[ . 1]" 1
499 1 26 LYS HD2 1 26 LYS HE2 2.500 . 3.800 2.803 2.447 3.076 . 0 0 "[ . 1]" 1
500 1 26 LYS HD2 1 26 LYS HE3 2.500 . 3.800 2.560 2.428 3.027 . 0 0 "[ . 1]" 1
501 1 26 LYS HD3 1 26 LYS HE2 2.500 . 3.800 2.592 2.291 3.030 . 0 0 "[ . 1]" 1
502 1 26 LYS HD3 1 26 LYS HE3 2.500 . 3.800 2.770 2.375 3.017 . 0 0 "[ . 1]" 1
503 1 26 LYS HE2 1 26 LYS HG2 3.300 . 5.200 2.925 2.415 3.749 . 0 0 "[ . 1]" 1
504 1 26 LYS HE2 1 26 LYS HG3 3.300 . 5.200 3.082 2.550 4.242 . 0 0 "[ . 1]" 1
505 1 26 LYS HE3 1 26 LYS HG2 3.300 . 5.200 3.234 2.540 3.717 . 0 0 "[ . 1]" 1
506 1 26 LYS HE3 1 26 LYS HG3 3.300 . 5.200 3.088 2.343 3.753 . 0 0 "[ . 1]" 1
507 1 27 ASP H 1 27 ASP HB2 3.000 . 4.600 2.458 2.374 2.530 . 0 0 "[ . 1]" 1
508 1 27 ASP H 1 27 ASP HB3 3.200 . 5.000 2.974 2.658 3.603 . 0 0 "[ . 1]" 1
509 1 27 ASP H 1 28 GLN H 3.300 . 5.200 2.804 2.421 3.077 . 0 0 "[ . 1]" 1
510 1 27 ASP H 1 42 VAL MG1 3.000 . 6.500 4.578 3.583 5.280 . 0 0 "[ . 1]" 1
511 1 27 ASP HA 1 29 HIS H 5.400 . 6.500 5.546 4.843 5.868 . 0 0 "[ . 1]" 1
512 1 27 ASP HA 1 42 VAL MG1 4.900 . 6.500 5.370 4.508 5.947 . 0 0 "[ . 1]" 1
513 1 27 ASP HB2 1 28 GLN H 2.900 . 4.500 3.399 2.285 3.986 . 0 0 "[ . 1]" 1
514 1 27 ASP HB2 1 28 GLN HE21 3.300 . 5.200 5.113 4.583 5.297 0.097 2 0 "[ . 1]" 1
515 1 27 ASP HB2 1 29 HIS H 4.200 . 6.500 4.759 2.642 5.808 . 0 0 "[ . 1]" 1
516 1 27 ASP HB2 1 42 VAL MG1 2.900 . 4.500 3.812 2.011 4.610 0.110 2 0 "[ . 1]" 1
517 1 27 ASP HB3 1 28 GLN H 2.800 . 4.300 2.848 2.479 3.568 . 0 0 "[ . 1]" 1
518 1 28 GLN H 1 28 GLN HA 2.800 . 4.300 2.787 2.690 2.847 . 0 0 "[ . 1]" 1
519 1 28 GLN H 1 28 GLN HG2 3.200 . 4.900 2.987 2.754 3.256 . 0 0 "[ . 1]" 1
520 1 28 GLN H 1 28 GLN HG3 3.000 . 4.700 3.608 3.383 3.909 . 0 0 "[ . 1]" 1
521 1 28 GLN H 1 29 HIS H 2.600 . 3.900 2.143 1.742 2.389 0.018 3 0 "[ . 1]" 1
522 1 28 GLN H 1 42 VAL MG1 3.300 . 5.100 3.499 3.031 3.990 . 0 0 "[ . 1]" 1
523 1 28 GLN HA 1 28 GLN HB2 2.600 . 3.900 2.485 2.412 2.529 . 0 0 "[ . 1]" 1
524 1 28 GLN HA 1 28 GLN HB3 2.600 . 3.900 2.393 2.348 2.473 . 0 0 "[ . 1]" 1
525 1 28 GLN HA 1 28 GLN HG2 3.400 . 5.300 3.714 3.651 3.807 . 0 0 "[ . 1]" 1
526 1 28 GLN HA 1 28 GLN HG3 3.200 . 5.000 3.801 3.760 3.868 . 0 0 "[ . 1]" 1
527 1 28 GLN HA 1 29 HIS H 3.400 . 5.400 3.522 3.434 3.581 . 0 0 "[ . 1]" 1
528 1 28 GLN HB2 1 28 GLN HG3 2.200 . 3.300 2.408 2.356 2.454 . 0 0 "[ . 1]" 1
529 1 28 GLN HB3 1 28 GLN HG3 2.200 . 3.300 2.999 2.988 3.007 . 0 0 "[ . 1]" 1
530 1 28 GLN HG3 1 42 VAL MG2 4.100 . 6.500 3.723 2.445 4.969 . 0 0 "[ . 1]" 1
531 1 29 HIS H 1 29 HIS HB3 3.800 . 6.100 3.522 2.764 3.859 . 0 0 "[ . 1]" 1
532 1 29 HIS H 1 29 HIS HD2 4.400 . 6.500 5.251 4.698 5.562 . 0 0 "[ . 1]" 1
533 1 29 HIS H 1 30 VAL H 4.000 . 6.500 4.385 4.316 4.453 . 0 0 "[ . 1]" 1
534 1 29 HIS H 1 31 TYR QE 3.600 . 5.800 3.627 2.917 4.057 . 0 0 "[ . 1]" 1
535 1 29 HIS H 1 42 VAL MG1 3.700 . 5.900 2.696 1.950 3.574 0.040 5 0 "[ . 1]" 1
536 1 29 HIS HA 1 29 HIS HB3 3.000 . 4.600 2.701 2.462 3.014 . 0 0 "[ . 1]" 1
537 1 29 HIS HA 1 29 HIS HD2 2.900 . 4.400 2.871 2.415 3.408 . 0 0 "[ . 1]" 1
538 1 29 HIS HA 1 30 VAL H 2.700 . 4.100 2.287 2.052 2.471 . 0 0 "[ . 1]" 1
539 1 29 HIS HA 1 30 VAL MG1 3.500 . 5.600 5.030 3.306 5.462 . 0 0 "[ . 1]" 1
540 1 29 HIS HA 1 30 VAL MG2 3.500 . 5.600 3.218 2.648 4.001 . 0 0 "[ . 1]" 1
541 1 29 HIS HB2 1 29 HIS HD2 3.400 . 5.400 3.811 3.684 4.004 . 0 0 "[ . 1]" 1
542 1 29 HIS HB2 1 30 VAL H 3.700 . 5.900 3.810 3.492 4.263 . 0 0 "[ . 1]" 1
543 1 29 HIS HB2 1 31 TYR QE 3.200 . 5.000 3.066 2.670 3.729 . 0 0 "[ . 1]" 1
544 1 29 HIS HB3 1 29 HIS HD2 2.900 . 4.400 2.925 2.578 3.709 . 0 0 "[ . 1]" 1
545 1 29 HIS HB3 1 30 VAL H 3.000 . 4.600 2.591 1.996 3.705 . 0 0 "[ . 1]" 1
546 1 29 HIS HB3 1 30 VAL MG1 4.300 . 6.500 5.215 4.401 6.069 . 0 0 "[ . 1]" 1
547 1 29 HIS HB3 1 30 VAL MG2 4.300 . 6.500 4.439 3.954 5.119 . 0 0 "[ . 1]" 1
548 1 29 HIS HD2 1 30 VAL H 3.500 . 5.500 2.668 1.951 3.884 0.019 6 0 "[ . 1]" 1
549 1 29 HIS HD2 1 30 VAL MG1 3.300 . 5.100 5.306 5.113 5.515 0.415 3 0 "[ . 1]" 1
550 1 29 HIS HD2 1 30 VAL MG2 3.300 . 5.100 4.284 3.840 5.162 0.062 9 0 "[ . 1]" 1
551 1 30 VAL H 1 30 VAL HB 3.500 . 5.500 2.502 2.178 3.782 . 0 0 "[ . 1]" 1
552 1 30 VAL H 1 30 VAL MG1 3.100 . 4.800 3.516 2.546 3.778 . 0 0 "[ . 1]" 1
553 1 30 VAL H 1 30 VAL MG2 3.100 . 4.800 2.405 2.262 2.620 . 0 0 "[ . 1]" 1
554 1 30 VAL HA 1 30 VAL HB 2.600 . 3.900 2.956 2.424 3.033 . 0 0 "[ . 1]" 1
555 1 30 VAL HA 1 30 VAL MG1 2.900 . 4.400 2.358 2.306 2.434 . 0 0 "[ . 1]" 1
556 1 30 VAL HA 1 30 VAL MG2 2.900 . 4.400 2.492 2.262 3.207 . 0 0 "[ . 1]" 1
557 1 30 VAL HA 1 31 TYR H 2.600 . 3.900 2.191 2.060 2.311 . 0 0 "[ . 1]" 1
558 1 30 VAL HA 1 31 TYR QD 2.600 . 3.900 3.484 2.938 3.788 . 0 0 "[ . 1]" 1
559 1 30 VAL HA 1 39 VAL MG1 3.500 . 5.600 4.469 3.844 5.704 0.104 4 0 "[ . 1]" 1
560 1 30 VAL MG1 1 31 TYR H 3.400 . 5.400 2.739 2.311 3.939 . 0 0 "[ . 1]" 1
561 1 30 VAL MG1 1 31 TYR HA 3.700 . 5.900 3.883 3.553 5.455 . 0 0 "[ . 1]" 1
562 1 30 VAL MG1 1 39 VAL MG1 2.400 . 3.600 2.998 2.255 3.858 0.258 4 0 "[ . 1]" 1
563 1 30 VAL MG2 1 31 TYR H 3.400 . 5.400 3.982 3.408 4.144 . 0 0 "[ . 1]" 1
564 1 31 TYR H 1 31 TYR HB2 3.100 . 4.800 2.224 1.876 2.399 0.024 6 0 "[ . 1]" 1
565 1 31 TYR H 1 31 TYR HB3 4.200 . 6.500 3.606 3.338 3.703 . 0 0 "[ . 1]" 1
566 1 31 TYR H 1 39 VAL HA 4.100 . 6.500 4.521 4.140 5.556 . 0 0 "[ . 1]" 1
567 1 31 TYR H 1 39 VAL MG1 3.400 . 5.300 3.610 2.777 4.934 . 0 0 "[ . 1]" 1
568 1 31 TYR H 1 40 PHE H 3.500 . 5.500 2.857 2.449 3.630 . 0 0 "[ . 1]" 1
569 1 31 TYR HA 1 31 TYR HB3 3.000 . 4.600 2.741 2.516 2.915 . 0 0 "[ . 1]" 1
570 1 31 TYR HA 1 31 TYR QD 2.600 . 3.900 2.689 2.307 2.901 . 0 0 "[ . 1]" 1
571 1 31 TYR HA 1 31 TYR QE 3.800 . 6.100 4.410 4.201 4.606 . 0 0 "[ . 1]" 1
572 1 31 TYR HA 1 32 VAL H 2.600 . 3.900 2.208 2.117 2.310 . 0 0 "[ . 1]" 1
573 1 31 TYR HB2 1 31 TYR QD 2.200 . 3.300 2.197 2.136 2.249 . 0 0 "[ . 1]" 1
574 1 31 TYR HB2 1 32 VAL H 4.100 . 6.500 3.991 3.794 4.103 . 0 0 "[ . 1]" 1
575 1 31 TYR HB2 1 39 VAL MG1 3.700 . 5.900 4.539 4.069 5.651 . 0 0 "[ . 1]" 1
576 1 31 TYR HB3 1 32 VAL H 3.600 . 5.700 3.251 2.859 3.615 . 0 0 "[ . 1]" 1
577 1 31 TYR HB3 1 42 VAL MG1 4.500 . 6.500 6.324 5.904 6.682 0.182 7 0 "[ . 1]" 1
578 1 31 TYR HB3 1 45 ASP HB2 3.800 . 6.100 4.896 4.495 6.140 0.040 3 0 "[ . 1]" 1
579 1 31 TYR HB3 1 45 ASP HB3 3.800 . 6.100 5.834 4.128 6.277 0.177 5 0 "[ . 1]" 1
580 1 31 TYR QD 1 32 VAL H 3.800 . 6.100 3.805 3.432 4.081 . 0 0 "[ . 1]" 1
581 1 31 TYR QD 1 40 PHE HB2 3.100 . 6.500 3.928 3.365 5.355 . 0 0 "[ . 1]" 1
582 1 31 TYR QD 1 41 CYS HA 2.900 . 6.500 3.087 2.649 3.314 . 0 0 "[ . 1]" 1
583 1 31 TYR QD 1 41 CYS HB2 4.000 . 6.500 4.998 4.466 5.172 . 0 0 "[ . 1]" 1
584 1 31 TYR QD 1 42 VAL HA 2.900 . 4.500 3.372 2.585 3.848 . 0 0 "[ . 1]" 1
585 1 31 TYR QE 1 42 VAL H 3.500 . 5.500 3.126 2.608 3.755 . 0 0 "[ . 1]" 1
586 1 31 TYR QE 1 42 VAL HA 2.300 . 3.500 2.379 1.824 3.321 . 0 0 "[ . 1]" 1
587 1 31 TYR QE 1 42 VAL HB 3.200 . 5.000 3.510 1.934 4.116 . 0 0 "[ . 1]" 1
588 1 31 TYR QE 1 42 VAL MG1 2.300 . 3.500 2.068 1.781 2.884 . 0 0 "[ . 1]" 1
589 1 31 TYR QE 1 42 VAL MG2 3.100 . 4.800 3.534 1.876 4.152 0.024 7 0 "[ . 1]" 1
590 1 31 TYR QE 1 43 ASP H 4.800 . 6.500 5.045 4.673 5.583 . 0 0 "[ . 1]" 1
591 1 32 VAL H 1 32 VAL HB 3.100 . 4.800 3.287 2.576 3.912 . 0 0 "[ . 1]" 1
592 1 32 VAL H 1 32 VAL MG1 3.100 . 4.800 2.924 2.075 3.903 . 0 0 "[ . 1]" 1
593 1 32 VAL H 1 32 VAL MG2 3.300 . 5.200 2.962 2.263 3.927 . 0 0 "[ . 1]" 1
594 1 32 VAL HA 1 32 VAL MG1 2.700 . 4.100 2.677 2.423 3.206 . 0 0 "[ . 1]" 1
595 1 32 VAL HA 1 32 VAL MG2 2.700 . 4.100 2.682 2.067 3.229 . 0 0 "[ . 1]" 1
596 1 32 VAL HA 1 33 CYS QB 4.500 . 6.500 4.615 4.293 4.978 . 0 0 "[ . 1]" 1
597 1 32 VAL HA 1 39 VAL MG2 4.100 . 6.500 3.805 3.306 4.743 . 0 0 "[ . 1]" 1
598 1 32 VAL HA 1 40 PHE H 3.600 . 5.700 3.033 1.948 3.496 0.032 6 0 "[ . 1]" 1
599 1 32 VAL HB 1 32 VAL MG2 2.300 . 3.500 2.111 2.089 2.129 . 0 0 "[ . 1]" 1
600 1 32 VAL MG1 1 33 CYS H 3.500 . 5.500 3.759 2.698 4.270 . 0 0 "[ . 1]" 1
601 1 32 VAL MG1 1 39 VAL HB 3.400 . 6.500 5.678 4.871 6.676 0.176 6 0 "[ . 1]" 1
602 1 32 VAL MG2 1 33 CYS H 3.300 . 5.100 3.600 2.839 3.981 . 0 0 "[ . 1]" 1
603 1 32 VAL MG2 1 33 CYS HA 4.400 . 6.500 4.255 3.329 5.456 . 0 0 "[ . 1]" 1
604 1 32 VAL MG2 1 36 CYS H 4.400 . 6.500 6.094 4.730 6.948 0.448 5 0 "[ . 1]" 1
605 1 32 VAL MG2 1 38 ASN H 3.900 . 6.300 5.805 4.601 6.353 0.053 8 0 "[ . 1]" 1
606 1 32 VAL MG2 1 38 ASN HA 4.000 . 6.500 4.211 2.991 5.056 . 0 0 "[ . 1]" 1
607 1 32 VAL MG2 1 39 VAL H 4.300 . 6.500 5.303 4.378 6.406 . 0 0 "[ . 1]" 1
608 1 33 CYS H 1 33 CYS HA 2.800 . 4.300 2.955 2.852 3.023 . 0 0 "[ . 1]" 1
609 1 33 CYS H 1 33 CYS QB 2.800 . 4.300 2.637 2.469 2.783 . 0 0 "[ . 1]" 1
610 1 33 CYS H 1 34 ALA H 3.500 . 5.500 3.527 2.366 4.507 . 0 0 "[ . 1]" 1
611 1 33 CYS H 1 36 CYS H 4.800 . 6.500 4.436 3.896 4.822 . 0 0 "[ . 1]" 1
612 1 33 CYS H 1 37 GLN HG3 3.000 . 4.600 4.746 4.374 5.067 0.467 4 0 "[ . 1]" 1
613 1 33 CYS H 1 38 ASN HA 3.300 . 6.500 2.295 1.825 3.247 0.115 8 0 "[ . 1]" 1
614 1 33 CYS H 1 40 PHE QD 2.900 . 4.500 3.390 2.737 4.379 . 0 0 "[ . 1]" 1
615 1 33 CYS HA 1 34 ALA H 2.600 . 3.900 2.683 2.249 3.318 . 0 0 "[ . 1]" 1
616 1 33 CYS QB 1 34 ALA H 3.700 . 5.900 3.489 2.900 3.996 . 0 0 "[ . 1]" 1
617 1 33 CYS QB 1 36 CYS H 3.400 . 5.300 2.046 1.694 2.493 0.266 6 0 "[ . 1]" 1
618 1 33 CYS QB 1 37 GLN H 3.600 . 5.700 4.439 3.729 4.969 . 0 0 "[ . 1]" 1
619 1 33 CYS QB 1 38 ASN H 3.000 . 4.600 3.233 2.478 4.224 . 0 0 "[ . 1]" 1
620 1 33 CYS QB 1 38 ASN HD22 4.500 . 6.500 4.929 4.151 5.458 . 0 0 "[ . 1]" 1
621 1 33 CYS QB 1 39 VAL H 4.000 . 6.500 4.446 3.336 5.204 . 0 0 "[ . 1]" 1
622 1 33 CYS QB 1 39 VAL MG2 3.900 . 6.300 5.606 5.165 5.855 . 0 0 "[ . 1]" 1
623 1 34 ALA H 1 34 ALA HA 2.600 . 3.900 2.624 2.270 2.886 . 0 0 "[ . 1]" 1
624 1 34 ALA H 1 35 VAL H 2.700 . 4.100 2.769 2.402 3.312 . 0 0 "[ . 1]" 1
625 1 34 ALA H 1 36 CYS H 4.700 . 6.500 4.073 3.581 4.801 . 0 0 "[ . 1]" 1
626 1 34 ALA HA 1 34 ALA MB 2.100 . 3.200 2.127 2.107 2.153 . 0 0 "[ . 1]" 1
627 1 34 ALA HA 1 35 VAL H 3.300 . 5.100 3.297 3.090 3.522 . 0 0 "[ . 1]" 1
628 1 34 ALA MB 1 35 VAL H 3.200 . 5.000 3.044 2.764 3.368 . 0 0 "[ . 1]" 1
629 1 34 ALA MB 1 35 VAL HA 3.200 . 5.000 4.069 3.733 4.305 . 0 0 "[ . 1]" 1
630 1 34 ALA MB 1 36 CYS H 4.900 . 6.500 4.587 4.374 5.148 . 0 0 "[ . 1]" 1
631 1 35 VAL H 1 35 VAL HA 2.700 . 4.100 2.905 2.867 2.978 . 0 0 "[ . 1]" 1
632 1 35 VAL H 1 35 VAL HB 2.600 . 4.000 2.829 2.500 3.835 . 0 0 "[ . 1]" 1
633 1 35 VAL H 1 35 VAL MG1 2.700 . 4.100 3.668 2.860 4.015 . 0 0 "[ . 1]" 1
634 1 35 VAL H 1 35 VAL MG2 2.700 . 4.100 2.757 2.302 4.078 . 0 0 "[ . 1]" 1
635 1 35 VAL H 1 36 CYS H 2.200 . 3.300 2.076 1.613 2.497 . 0 0 "[ . 1]" 1
636 1 35 VAL H 1 36 CYS HA 4.900 . 6.500 4.612 4.360 4.899 . 0 0 "[ . 1]" 1
637 1 35 VAL H 1 37 GLN H 3.900 . 6.300 5.567 4.994 6.343 0.043 2 0 "[ . 1]" 1
638 1 35 VAL H 1 37 GLN HA 4.500 . 6.500 6.807 6.625 7.008 0.508 2 1 "[ + . 1]" 1
639 1 35 VAL HA 1 35 VAL HB 3.000 . 4.700 2.912 2.377 3.066 . 0 0 "[ . 1]" 1
640 1 35 VAL HA 1 36 CYS H 3.600 . 5.700 3.385 3.141 3.714 . 0 0 "[ . 1]" 1
641 1 35 VAL HA 1 37 GLN H 4.100 . 6.500 5.515 4.445 6.746 0.246 5 0 "[ . 1]" 1
642 1 35 VAL HB 1 36 CYS H 2.600 . 4.000 3.357 2.480 4.162 0.162 8 0 "[ . 1]" 1
643 1 35 VAL MG1 1 36 CYS H 3.300 . 5.100 3.751 3.030 4.313 . 0 0 "[ . 1]" 1
644 1 35 VAL MG1 1 58 CYS HA 2.900 . 6.500 4.626 3.485 6.688 0.188 8 0 "[ . 1]" 1
645 1 35 VAL MG2 1 36 CYS H 3.300 . 5.100 3.983 3.073 4.344 . 0 0 "[ . 1]" 1
646 1 36 CYS H 1 36 CYS HA 2.700 . 4.100 2.783 2.659 2.879 . 0 0 "[ . 1]" 1
647 1 36 CYS H 1 36 CYS HB2 3.400 . 5.300 3.482 2.281 4.073 . 0 0 "[ . 1]" 1
648 1 36 CYS H 1 36 CYS HB3 3.100 . 4.800 3.526 2.788 3.973 . 0 0 "[ . 1]" 1
649 1 36 CYS H 1 37 GLN H 2.800 . 4.300 3.752 3.159 4.261 . 0 0 "[ . 1]" 1
650 1 36 CYS H 1 37 GLN HA 3.700 . 5.900 5.214 4.914 5.841 . 0 0 "[ . 1]" 1
651 1 36 CYS H 1 37 GLN HB2 4.000 . 6.500 6.460 4.936 6.861 0.361 6 0 "[ . 1]" 1
652 1 36 CYS H 1 37 GLN HB3 4.000 . 6.500 6.079 5.538 6.531 0.031 6 0 "[ . 1]" 1
653 1 36 CYS H 1 38 ASN H 3.600 . 5.700 3.497 2.603 5.128 . 0 0 "[ . 1]" 1
654 1 36 CYS H 1 58 CYS HA 4.000 . 6.500 5.647 4.636 6.299 . 0 0 "[ . 1]" 1
655 1 36 CYS HA 1 36 CYS HB3 2.500 . 3.800 2.413 2.098 2.607 . 0 0 "[ . 1]" 1
656 1 36 CYS HB3 1 37 GLN H 4.600 . 6.500 4.022 3.461 4.444 . 0 0 "[ . 1]" 1
657 1 36 CYS HB3 1 38 ASN H 4.200 . 6.500 5.036 4.255 6.369 . 0 0 "[ . 1]" 1
658 1 36 CYS HB3 1 38 ASN HD21 3.600 . 5.800 5.429 4.865 5.947 0.147 6 0 "[ . 1]" 1
659 1 36 CYS HB3 1 58 CYS H 4.100 . 6.500 4.628 3.087 6.014 . 0 0 "[ . 1]" 1
660 1 36 CYS HB3 1 58 CYS HA 3.200 . 5.000 3.129 2.201 3.922 . 0 0 "[ . 1]" 1
661 1 37 GLN H 1 37 GLN HA 2.400 . 3.600 2.169 1.975 2.350 . 0 0 "[ . 1]" 1
662 1 37 GLN H 1 37 GLN HB2 3.300 . 5.100 3.949 3.693 4.173 . 0 0 "[ . 1]" 1
663 1 37 GLN H 1 37 GLN HB3 3.300 . 5.100 3.194 2.738 4.106 . 0 0 "[ . 1]" 1
664 1 37 GLN H 1 37 GLN HG2 3.600 . 5.700 4.105 3.260 5.146 . 0 0 "[ . 1]" 1
665 1 37 GLN H 1 37 GLN HG3 3.400 . 5.400 3.938 3.195 4.486 . 0 0 "[ . 1]" 1
666 1 37 GLN H 1 38 ASN H 3.000 . 4.600 2.844 2.411 3.223 . 0 0 "[ . 1]" 1
667 1 37 GLN HA 1 37 GLN HB2 2.400 . 3.600 2.448 2.252 3.089 . 0 0 "[ . 1]" 1
668 1 37 GLN HA 1 37 GLN HG3 2.900 . 4.500 3.522 2.962 3.754 . 0 0 "[ . 1]" 1
669 1 37 GLN HA 1 38 ASN H 3.000 . 4.700 2.897 2.445 3.132 . 0 0 "[ . 1]" 1
670 1 37 GLN HB2 1 38 ASN H 3.400 . 5.400 3.779 3.475 4.474 . 0 0 "[ . 1]" 1
671 1 37 GLN HB3 1 38 ASN H 3.400 . 5.400 3.740 3.252 4.017 . 0 0 "[ . 1]" 1
672 1 37 GLN HE21 1 37 GLN HG3 3.000 . 4.600 2.730 2.248 3.635 . 0 0 "[ . 1]" 1
673 1 37 GLN HE21 1 56 PRO HB3 2.800 . 6.500 6.464 4.888 6.824 0.324 6 0 "[ . 1]" 1
674 1 37 GLN HE21 1 56 PRO HG2 2.800 . 6.500 5.074 2.951 6.115 . 0 0 "[ . 1]" 1
675 1 37 GLN HE21 1 56 PRO HG3 2.800 . 6.500 6.448 4.704 6.759 0.259 2 0 "[ . 1]" 1
676 1 37 GLN HE22 1 37 GLN HG3 4.000 . 6.500 3.623 3.452 4.114 . 0 0 "[ . 1]" 1
677 1 37 GLN HG3 1 38 ASN HA 4.400 . 6.500 4.233 3.223 5.757 . 0 0 "[ . 1]" 1
678 1 37 GLN HG3 1 38 ASN HD21 3.600 . 5.700 5.069 4.333 5.762 0.062 5 0 "[ . 1]" 1
679 1 37 GLN HG3 1 38 ASN HD22 4.600 . 6.500 6.146 5.628 6.613 0.113 5 0 "[ . 1]" 1
680 1 37 GLN HG3 1 40 PHE QD 4.100 . 6.500 5.458 4.583 6.047 . 0 0 "[ . 1]" 1
681 1 38 ASN H 1 38 ASN HA 2.600 . 3.900 2.157 1.975 2.771 . 0 0 "[ . 1]" 1
682 1 38 ASN H 1 38 ASN HB2 3.300 . 5.100 3.705 2.454 4.058 . 0 0 "[ . 1]" 1
683 1 38 ASN H 1 38 ASN HD21 2.600 . 3.900 2.724 2.332 3.946 0.046 8 0 "[ . 1]" 1
684 1 38 ASN H 1 38 ASN HD22 5.200 . 6.500 3.918 3.569 4.270 . 0 0 "[ . 1]" 1
685 1 38 ASN H 1 39 VAL H 3.300 . 5.100 2.913 2.480 3.168 . 0 0 "[ . 1]" 1
686 1 38 ASN HA 1 38 ASN HD21 2.900 . 4.500 2.478 1.827 4.168 0.023 5 0 "[ . 1]" 1
687 1 38 ASN HA 1 39 VAL H 2.500 . 3.800 3.351 2.995 3.654 . 0 0 "[ . 1]" 1
688 1 38 ASN HA 1 39 VAL MG1 4.200 . 6.500 5.550 4.368 5.912 . 0 0 "[ . 1]" 1
689 1 38 ASN HA 1 39 VAL MG2 3.100 . 4.800 4.283 3.892 4.825 0.025 4 0 "[ . 1]" 1
690 1 38 ASN HB2 1 39 VAL H 3.500 . 5.500 4.030 2.988 4.359 . 0 0 "[ . 1]" 1
691 1 38 ASN HD21 1 39 VAL H 3.800 . 6.100 5.056 4.689 5.669 . 0 0 "[ . 1]" 1
692 1 39 VAL H 1 39 VAL HA 3.000 . 4.700 2.939 2.867 2.989 . 0 0 "[ . 1]" 1
693 1 39 VAL H 1 39 VAL MG1 3.700 . 5.900 3.825 3.148 4.015 . 0 0 "[ . 1]" 1
694 1 39 VAL H 1 39 VAL MG2 2.500 . 3.800 2.569 2.278 2.827 . 0 0 "[ . 1]" 1
695 1 39 VAL H 1 40 PHE H 4.300 . 6.500 4.462 4.358 4.607 . 0 0 "[ . 1]" 1
696 1 39 VAL H 1 40 PHE QD 3.400 . 5.300 4.487 3.483 5.056 . 0 0 "[ . 1]" 1
697 1 39 VAL HB 1 39 VAL MG1 2.400 . 3.600 2.050 1.910 2.136 . 0 0 "[ . 1]" 1
698 1 39 VAL HB 1 39 VAL MG2 2.400 . 3.600 2.104 2.044 2.149 . 0 0 "[ . 1]" 1
699 1 39 VAL MG1 1 39 VAL MG2 2.300 . 3.500 2.080 2.030 2.156 . 0 0 "[ . 1]" 1
700 1 39 VAL MG1 1 40 PHE HA 4.100 . 6.500 3.867 2.897 5.215 . 0 0 "[ . 1]" 1
701 1 39 VAL MG2 1 40 PHE H 4.000 . 6.500 4.038 3.780 4.330 . 0 0 "[ . 1]" 1
702 1 39 VAL MG2 1 40 PHE HA 4.500 . 6.500 5.131 3.747 5.636 . 0 0 "[ . 1]" 1
703 1 39 VAL MG2 1 40 PHE HB2 3.000 . 6.500 6.188 5.773 6.604 0.104 2 0 "[ . 1]" 1
704 1 40 PHE HA 1 40 PHE HB2 2.800 . 4.300 2.858 2.295 2.983 . 0 0 "[ . 1]" 1
705 1 40 PHE HA 1 40 PHE HB3 3.000 . 4.600 2.484 2.209 2.658 . 0 0 "[ . 1]" 1
706 1 40 PHE HA 1 40 PHE QD 2.600 . 3.900 2.769 2.331 3.610 . 0 0 "[ . 1]" 1
707 1 40 PHE HA 1 41 CYS H 2.300 . 3.500 2.342 2.181 2.613 . 0 0 "[ . 1]" 1
708 1 40 PHE HA 1 41 CYS HA 3.800 . 6.100 4.311 3.983 4.427 . 0 0 "[ . 1]" 1
709 1 40 PHE HA 1 41 CYS HB2 4.700 . 6.500 4.776 4.385 5.385 . 0 0 "[ . 1]" 1
710 1 40 PHE HA 1 41 CYS HB3 4.100 . 6.500 5.578 4.926 5.869 . 0 0 "[ . 1]" 1
711 1 40 PHE HA 1 44 CYS HB2 4.100 . 6.500 3.920 3.224 4.700 . 0 0 "[ . 1]" 1
712 1 40 PHE HB3 1 40 PHE QD 2.400 . 3.600 2.299 2.072 2.684 . 0 0 "[ . 1]" 1
713 1 40 PHE QD 1 41 CYS H 2.700 . 4.100 2.687 2.221 3.187 . 0 0 "[ . 1]" 1
714 1 40 PHE QD 1 43 ASP H 4.900 . 6.500 6.571 6.250 6.778 0.278 8 0 "[ . 1]" 1
715 1 40 PHE QD 1 44 CYS H 3.800 . 6.100 4.565 4.078 4.996 . 0 0 "[ . 1]" 1
716 1 40 PHE QD 1 44 CYS HB2 2.500 . 3.800 2.505 2.086 3.692 . 0 0 "[ . 1]" 1
717 1 40 PHE QD 1 45 ASP H 3.500 . 5.500 4.186 3.302 4.895 . 0 0 "[ . 1]" 1
718 1 40 PHE QE 1 56 PRO HG2 2.600 . 3.900 2.400 1.827 3.256 . 0 0 "[ . 1]" 1
719 1 40 PHE QE 1 56 PRO HG3 2.600 . 3.900 3.249 2.328 3.925 0.025 5 0 "[ . 1]" 1
720 1 40 PHE HZ 1 48 VAL MG1 3.800 . 6.100 5.250 4.586 5.820 . 0 0 "[ . 1]" 1
721 1 40 PHE HZ 1 56 PRO HG2 3.000 . 4.600 2.933 1.981 4.220 . 0 0 "[ . 1]" 1
722 1 40 PHE HZ 1 56 PRO HG3 3.000 . 4.600 4.279 3.632 4.726 0.126 2 0 "[ . 1]" 1
723 1 40 PHE HZ 1 57 GLY H 3.400 . 5.300 3.848 2.157 5.380 0.080 2 0 "[ . 1]" 1
724 1 41 CYS H 1 41 CYS HA 2.700 . 4.100 2.974 2.934 3.002 . 0 0 "[ . 1]" 1
725 1 41 CYS H 1 41 CYS HB2 2.700 . 4.100 2.612 2.329 3.367 . 0 0 "[ . 1]" 1
726 1 41 CYS H 1 41 CYS HB3 3.300 . 5.100 3.654 3.422 3.732 . 0 0 "[ . 1]" 1
727 1 41 CYS H 1 42 VAL H 4.300 . 6.500 4.460 4.381 4.527 . 0 0 "[ . 1]" 1
728 1 41 CYS H 1 44 CYS H 4.300 . 6.500 3.477 3.119 3.739 . 0 0 "[ . 1]" 1
729 1 41 CYS H 1 44 CYS HB2 3.100 . 4.800 2.168 1.801 2.646 0.099 10 0 "[ . 1]" 1
730 1 41 CYS HA 1 41 CYS HB2 2.900 . 4.500 2.894 2.350 3.038 . 0 0 "[ . 1]" 1
731 1 41 CYS HA 1 41 CYS HB3 2.500 . 3.800 2.472 2.311 2.567 . 0 0 "[ . 1]" 1
732 1 41 CYS HA 1 42 VAL H 2.300 . 3.500 2.341 2.180 2.590 . 0 0 "[ . 1]" 1
733 1 41 CYS HA 1 42 VAL HB 4.400 . 6.500 5.476 4.629 5.928 . 0 0 "[ . 1]" 1
734 1 41 CYS HA 1 42 VAL MG1 3.700 . 5.900 4.019 3.566 5.326 . 0 0 "[ . 1]" 1
735 1 41 CYS HA 1 42 VAL MG2 4.000 . 6.500 4.290 3.329 5.492 . 0 0 "[ . 1]" 1
736 1 41 CYS HA 1 43 ASP H 4.400 . 6.500 4.079 3.793 4.389 . 0 0 "[ . 1]" 1
737 1 41 CYS HB2 1 42 VAL H 3.200 . 5.000 3.267 1.942 3.721 . 0 0 "[ . 1]" 1
738 1 41 CYS HB2 1 42 VAL HB 4.900 . 6.500 5.774 3.972 6.467 . 0 0 "[ . 1]" 1
739 1 41 CYS HB2 1 42 VAL MG1 4.300 . 6.500 5.018 3.938 5.654 . 0 0 "[ . 1]" 1
740 1 41 CYS HB2 1 42 VAL MG2 4.300 . 6.500 4.570 3.446 5.560 . 0 0 "[ . 1]" 1
741 1 41 CYS HB2 1 43 ASP H 3.900 . 6.300 2.861 2.214 3.181 . 0 0 "[ . 1]" 1
742 1 41 CYS HB2 1 44 CYS H 3.200 . 4.900 1.925 1.732 2.728 0.188 7 0 "[ . 1]" 1
743 1 41 CYS HB2 1 46 VAL H 4.700 . 6.500 6.229 5.877 6.599 0.099 6 0 "[ . 1]" 1
744 1 41 CYS HB2 1 47 PHE QB 3.500 . 6.500 5.974 5.210 6.640 0.140 10 0 "[ . 1]" 1
745 1 41 CYS HB3 1 42 VAL H 2.700 . 4.100 2.527 2.078 3.312 . 0 0 "[ . 1]" 1
746 1 41 CYS HB3 1 43 ASP H 3.100 . 4.800 2.480 1.871 3.915 0.029 4 0 "[ . 1]" 1
747 1 41 CYS HB3 1 44 CYS H 3.300 . 6.500 2.910 2.287 4.152 . 0 0 "[ . 1]" 1
748 1 42 VAL H 1 42 VAL HA 2.600 . 4.000 2.727 2.688 2.803 . 0 0 "[ . 1]" 1
749 1 42 VAL H 1 42 VAL HB 2.600 . 3.900 3.312 2.477 3.706 . 0 0 "[ . 1]" 1
750 1 42 VAL H 1 42 VAL MG1 2.600 . 4.000 2.396 1.892 3.612 . 0 0 "[ . 1]" 1
751 1 42 VAL H 1 42 VAL MG2 2.600 . 4.000 2.363 1.793 3.737 . 0 0 "[ . 1]" 1
752 1 42 VAL H 1 43 ASP H 2.600 . 3.900 2.539 2.342 2.879 . 0 0 "[ . 1]" 1
753 1 42 VAL H 1 44 CYS H 4.900 . 6.500 3.891 3.758 4.137 . 0 0 "[ . 1]" 1
754 1 42 VAL HA 1 42 VAL MG1 2.500 . 3.800 2.538 2.309 3.175 . 0 0 "[ . 1]" 1
755 1 42 VAL HA 1 43 ASP H 3.300 . 5.100 3.490 3.389 3.568 . 0 0 "[ . 1]" 1
756 1 42 VAL HA 1 43 ASP HB2 4.100 . 6.500 6.053 5.641 6.601 0.101 7 0 "[ . 1]" 1
757 1 42 VAL HA 1 44 CYS H 4.500 . 6.500 4.093 3.832 4.312 . 0 0 "[ . 1]" 1
758 1 42 VAL HA 1 45 ASP H 3.100 . 4.800 3.639 2.976 4.423 . 0 0 "[ . 1]" 1
759 1 42 VAL HB 1 42 VAL MG1 2.400 . 3.600 2.090 2.043 2.118 . 0 0 "[ . 1]" 1
760 1 42 VAL HB 1 42 VAL MG2 2.400 . 3.600 2.122 2.080 2.139 . 0 0 "[ . 1]" 1
761 1 42 VAL HB 1 43 ASP H 2.900 . 4.500 3.682 2.320 4.238 . 0 0 "[ . 1]" 1
762 1 42 VAL MG1 1 42 VAL MG2 2.200 . 3.300 2.042 1.943 2.111 . 0 0 "[ . 1]" 1
763 1 42 VAL MG1 1 43 ASP H 3.400 . 5.300 3.629 2.333 3.967 . 0 0 "[ . 1]" 1
764 1 42 VAL MG1 1 45 ASP H 4.700 . 6.500 5.360 4.779 5.832 . 0 0 "[ . 1]" 1
765 1 42 VAL MG2 1 43 ASP H 2.800 . 4.300 2.690 2.243 3.663 . 0 0 "[ . 1]" 1
766 1 42 VAL MG2 1 44 CYS H 4.400 . 6.500 4.479 4.137 5.120 . 0 0 "[ . 1]" 1
767 1 43 ASP H 1 43 ASP HA 2.600 . 3.900 2.834 2.785 2.874 . 0 0 "[ . 1]" 1
768 1 43 ASP H 1 43 ASP HB2 2.500 . 3.800 3.016 2.418 3.691 . 0 0 "[ . 1]" 1
769 1 43 ASP H 1 43 ASP HB3 2.900 . 4.400 3.102 2.179 3.745 . 0 0 "[ . 1]" 1
770 1 43 ASP H 1 44 CYS H 2.500 . 3.800 2.455 2.262 2.608 . 0 0 "[ . 1]" 1
771 1 43 ASP H 1 44 CYS HB2 5.000 . 6.500 4.777 4.383 5.106 . 0 0 "[ . 1]" 1
772 1 43 ASP H 1 45 ASP H 3.800 . 6.100 4.470 4.146 4.972 . 0 0 "[ . 1]" 1
773 1 43 ASP HA 1 43 ASP HB3 2.700 . 4.100 2.538 2.343 3.025 . 0 0 "[ . 1]" 1
774 1 43 ASP HA 1 44 CYS H 3.400 . 5.300 3.396 3.314 3.461 . 0 0 "[ . 1]" 1
775 1 43 ASP HA 1 45 ASP H 4.200 . 6.500 4.492 4.252 5.323 . 0 0 "[ . 1]" 1
776 1 43 ASP HA 1 46 VAL H 3.000 . 4.600 4.181 3.752 4.620 0.020 8 0 "[ . 1]" 1
777 1 43 ASP HA 1 46 VAL MG1 3.300 . 5.100 3.123 1.959 4.393 . 0 0 "[ . 1]" 1
778 1 43 ASP HB2 1 44 CYS H 3.100 . 4.800 3.037 2.027 4.107 . 0 0 "[ . 1]" 1
779 1 43 ASP HB3 1 44 CYS H 3.100 . 4.800 3.463 2.325 4.103 . 0 0 "[ . 1]" 1
780 1 44 CYS H 1 44 CYS HA 2.800 . 4.300 2.725 2.670 2.771 . 0 0 "[ . 1]" 1
781 1 44 CYS H 1 44 CYS HB2 2.700 . 4.100 2.554 2.438 2.686 . 0 0 "[ . 1]" 1
782 1 44 CYS H 1 44 CYS HB3 3.300 . 5.200 3.683 3.575 3.791 . 0 0 "[ . 1]" 1
783 1 44 CYS H 1 45 ASP H 2.900 . 4.400 2.963 2.858 3.079 . 0 0 "[ . 1]" 1
784 1 44 CYS H 1 45 ASP HA 4.900 . 6.500 5.418 5.330 5.569 . 0 0 "[ . 1]" 1
785 1 44 CYS H 1 47 PHE H 4.200 . 6.500 5.042 4.552 5.707 . 0 0 "[ . 1]" 1
786 1 44 CYS HA 1 46 VAL HB 2.800 . 6.500 5.436 3.972 6.082 . 0 0 "[ . 1]" 1
787 1 44 CYS HB2 1 45 ASP H 3.300 . 5.200 3.728 3.475 3.842 . 0 0 "[ . 1]" 1
788 1 44 CYS HB3 1 45 ASP H 3.600 . 5.800 4.138 4.024 4.261 . 0 0 "[ . 1]" 1
789 1 45 ASP H 1 45 ASP HA 3.000 . 4.600 2.810 2.745 2.861 . 0 0 "[ . 1]" 1
790 1 45 ASP H 1 45 ASP HB2 3.000 . 4.600 2.770 2.435 3.773 . 0 0 "[ . 1]" 1
791 1 45 ASP H 1 45 ASP HB3 3.000 . 4.600 2.602 2.530 2.813 . 0 0 "[ . 1]" 1
792 1 45 ASP H 1 46 VAL H 3.000 . 4.600 2.709 2.488 2.875 . 0 0 "[ . 1]" 1
793 1 45 ASP H 1 46 VAL HB 4.900 . 6.500 5.092 4.301 5.568 . 0 0 "[ . 1]" 1
794 1 45 ASP H 1 46 VAL MG1 4.900 . 6.500 4.383 4.004 5.561 . 0 0 "[ . 1]" 1
795 1 45 ASP H 1 56 PRO HG2 2.200 . 6.500 6.408 6.012 6.647 0.147 4 0 "[ . 1]" 1
796 1 45 ASP H 1 56 PRO HG3 2.200 . 6.500 5.929 5.233 6.517 0.017 5 0 "[ . 1]" 1
797 1 45 ASP HA 1 46 VAL MG2 4.800 . 6.500 5.989 4.798 6.190 . 0 0 "[ . 1]" 1
798 1 45 ASP HA 1 48 VAL MG2 3.000 . 4.600 3.905 2.526 4.865 0.265 4 0 "[ . 1]" 1
799 1 45 ASP HA 1 56 PRO HD2 2.800 . 6.500 4.792 3.560 5.329 . 0 0 "[ . 1]" 1
800 1 45 ASP HA 1 56 PRO HG2 2.800 . 6.500 4.838 3.907 5.503 . 0 0 "[ . 1]" 1
801 1 45 ASP HA 1 56 PRO HG3 2.800 . 6.500 4.380 3.794 5.266 . 0 0 "[ . 1]" 1
802 1 45 ASP HB2 1 46 VAL MG1 4.800 . 6.500 5.948 5.647 6.671 0.171 5 0 "[ . 1]" 1
803 1 45 ASP HB3 1 46 VAL MG1 4.800 . 6.500 5.105 4.452 6.098 . 0 0 "[ . 1]" 1
804 1 46 VAL H 1 46 VAL HA 2.800 . 4.300 2.795 2.752 2.854 . 0 0 "[ . 1]" 1
805 1 46 VAL H 1 46 VAL HB 2.500 . 3.800 2.556 2.304 2.762 . 0 0 "[ . 1]" 1
806 1 46 VAL H 1 46 VAL MG1 2.800 . 4.300 2.576 2.366 3.667 . 0 0 "[ . 1]" 1
807 1 46 VAL H 1 46 VAL MG2 3.100 . 4.800 3.660 2.140 3.882 . 0 0 "[ . 1]" 1
808 1 46 VAL H 1 47 PHE H 2.900 . 4.500 2.692 2.596 2.863 . 0 0 "[ . 1]" 1
809 1 46 VAL HA 1 46 VAL MG1 2.600 . 3.900 3.159 2.532 3.256 . 0 0 "[ . 1]" 1
810 1 46 VAL HA 1 46 VAL MG2 2.300 . 3.400 2.293 2.028 2.393 . 0 0 "[ . 1]" 1
811 1 46 VAL HA 1 47 PHE H 3.500 . 5.500 3.301 3.193 3.385 . 0 0 "[ . 1]" 1
812 1 46 VAL HA 1 49 HIS H 3.700 . 6.000 4.475 2.805 6.156 0.156 9 0 "[ . 1]" 1
813 1 46 VAL HB 1 46 VAL MG1 2.200 . 3.300 2.112 2.089 2.133 . 0 0 "[ . 1]" 1
814 1 46 VAL HB 1 46 VAL MG2 2.200 . 3.300 2.119 2.057 2.141 . 0 0 "[ . 1]" 1
815 1 46 VAL HB 1 47 PHE H 3.500 . 5.500 4.167 3.402 4.411 . 0 0 "[ . 1]" 1
816 1 46 VAL MG1 1 47 PHE H 2.900 . 4.500 3.010 2.728 3.781 . 0 0 "[ . 1]" 1
817 1 46 VAL MG1 1 47 PHE QB 4.600 . 6.500 4.227 3.794 4.949 . 0 0 "[ . 1]" 1
818 1 46 VAL MG1 1 50 ASP H 4.100 . 6.500 6.023 4.793 6.659 0.159 6 0 "[ . 1]" 1
819 1 46 VAL MG2 1 47 PHE H 3.700 . 5.900 4.103 3.893 4.249 . 0 0 "[ . 1]" 1
820 1 46 VAL MG2 1 49 HIS HA 4.100 . 6.500 5.428 3.687 6.561 0.061 5 0 "[ . 1]" 1
821 1 46 VAL MG2 1 52 LEU MD1 3.800 . 6.500 6.590 6.259 6.907 0.407 5 0 "[ . 1]" 1
822 1 47 PHE H 1 47 PHE QB 2.700 . 4.100 2.289 2.105 2.439 . 0 0 "[ . 1]" 1
823 1 47 PHE H 1 47 PHE QD 3.700 . 5.900 4.142 4.100 4.230 . 0 0 "[ . 1]" 1
824 1 47 PHE H 1 48 VAL H 3.300 . 5.200 2.571 2.410 2.644 . 0 0 "[ . 1]" 1
825 1 47 PHE H 1 48 VAL MG1 4.800 . 6.500 4.215 3.358 5.526 . 0 0 "[ . 1]" 1
826 1 47 PHE H 1 48 VAL MG2 4.200 . 6.500 3.992 3.474 5.634 . 0 0 "[ . 1]" 1
827 1 47 PHE HA 1 47 PHE QE 3.500 . 5.500 4.685 4.533 4.801 . 0 0 "[ . 1]" 1
828 1 47 PHE HA 1 51 SER H 3.600 . 6.500 6.358 5.857 6.799 0.299 6 0 "[ . 1]" 1
829 1 47 PHE QB 1 47 PHE QD 2.300 . 3.400 2.092 1.997 2.138 . 0 0 "[ . 1]" 1
830 1 47 PHE QB 1 48 VAL MG1 3.700 . 5.900 2.913 1.957 4.676 0.033 9 0 "[ . 1]" 1
831 1 47 PHE QB 1 55 CYS HA 3.800 . 6.500 5.403 4.982 5.920 . 0 0 "[ . 1]" 1
832 1 47 PHE QB 1 57 GLY H 4.400 . 6.500 5.691 5.272 6.103 . 0 0 "[ . 1]" 1
833 1 47 PHE QD 1 48 VAL H 3.700 . 5.900 3.853 3.492 4.184 . 0 0 "[ . 1]" 1
834 1 47 PHE QD 1 52 LEU MD2 2.400 . 3.600 1.878 1.700 2.132 . 0 0 "[ . 1]" 1
835 1 47 PHE QD 1 56 PRO HB3 3.600 . 5.700 2.495 2.013 3.379 . 0 0 "[ . 1]" 1
836 1 47 PHE QD 1 56 PRO HG2 3.600 . 5.700 4.430 4.017 5.113 . 0 0 "[ . 1]" 1
837 1 47 PHE QD 1 56 PRO HG3 3.600 . 5.700 3.268 2.726 3.829 . 0 0 "[ . 1]" 1
838 1 47 PHE QE 1 48 VAL MG1 3.800 . 6.100 5.122 4.099 6.298 0.198 2 0 "[ . 1]" 1
839 1 47 PHE QE 1 52 LEU MD1 2.400 . 3.600 2.563 1.964 3.666 0.066 6 0 "[ . 1]" 1
840 1 47 PHE QE 1 52 LEU MD2 2.500 . 3.800 2.165 1.897 2.763 . 0 0 "[ . 1]" 1
841 1 47 PHE QE 1 52 LEU HG 4.100 . 6.500 3.813 2.492 4.225 . 0 0 "[ . 1]" 1
842 1 47 PHE QE 1 56 PRO HB3 2.700 . 6.500 3.382 2.870 3.939 . 0 0 "[ . 1]" 1
843 1 47 PHE HZ 1 52 LEU MD1 3.100 . 4.800 3.957 3.312 4.738 . 0 0 "[ . 1]" 1
844 1 47 PHE HZ 1 52 LEU MD2 3.500 . 5.500 4.278 3.854 4.871 . 0 0 "[ . 1]" 1
845 1 48 VAL H 1 48 VAL HB 3.700 . 6.000 3.258 2.270 3.733 . 0 0 "[ . 1]" 1
846 1 48 VAL H 1 48 VAL MG2 2.900 . 4.500 2.247 1.805 3.683 0.045 7 0 "[ . 1]" 1
847 1 48 VAL H 1 49 HIS H 3.500 . 5.500 3.331 2.592 4.278 . 0 0 "[ . 1]" 1
848 1 48 VAL HA 1 48 VAL HB 3.000 . 4.700 2.518 2.378 2.979 . 0 0 "[ . 1]" 1
849 1 48 VAL HA 1 48 VAL MG1 2.600 . 4.000 2.392 2.015 3.187 . 0 0 "[ . 1]" 1
850 1 48 VAL HA 1 48 VAL MG2 2.700 . 4.100 2.913 2.235 3.219 . 0 0 "[ . 1]" 1
851 1 48 VAL HA 1 49 HIS H 3.300 . 5.200 2.987 1.918 3.558 0.022 5 0 "[ . 1]" 1
852 1 48 VAL HA 1 51 SER H 4.100 . 6.500 4.774 4.101 5.260 . 0 0 "[ . 1]" 1
853 1 48 VAL HA 1 52 LEU HA 3.900 . 6.300 4.868 4.428 5.687 . 0 0 "[ . 1]" 1
854 1 48 VAL HA 1 52 LEU HB2 2.800 . 4.300 2.539 1.878 4.462 0.162 3 0 "[ . 1]" 1
855 1 48 VAL HA 1 52 LEU HB3 3.300 . 5.200 3.376 1.858 5.206 0.082 8 0 "[ . 1]" 1
856 1 48 VAL HA 1 52 LEU MD2 2.600 . 4.000 2.637 1.845 3.715 . 0 0 "[ . 1]" 1
857 1 48 VAL HA 1 53 HIS H 3.500 . 5.500 4.205 3.097 5.520 0.020 5 0 "[ . 1]" 1
858 1 48 VAL HA 1 53 HIS HD2 3.900 . 6.300 6.050 5.202 6.513 0.213 6 0 "[ . 1]" 1
859 1 48 VAL HB 1 48 VAL MG2 3.300 . 5.200 2.102 1.997 2.149 . 0 0 "[ . 1]" 1
860 1 48 VAL HB 1 53 HIS HD2 4.100 . 6.500 5.616 4.847 6.754 0.254 7 0 "[ . 1]" 1
861 1 48 VAL MG1 1 48 VAL MG2 2.300 . 3.500 1.969 1.797 2.067 . 0 0 "[ . 1]" 1
862 1 48 VAL MG1 1 49 HIS H 3.900 . 6.300 3.599 2.648 4.189 . 0 0 "[ . 1]" 1
863 1 48 VAL MG1 1 49 HIS HA 4.200 . 6.500 4.624 2.761 5.314 . 0 0 "[ . 1]" 1
864 1 48 VAL MG1 1 52 LEU H 3.900 . 6.300 4.628 3.353 5.750 . 0 0 "[ . 1]" 1
865 1 48 VAL MG1 1 52 LEU HB2 3.400 . 5.300 3.412 1.913 4.765 0.047 9 0 "[ . 1]" 1
866 1 48 VAL MG1 1 52 LEU HB3 4.000 . 6.500 3.541 1.986 5.787 0.014 9 0 "[ . 1]" 1
867 1 48 VAL MG1 1 52 LEU MD2 3.300 . 5.200 2.530 1.897 4.224 0.043 5 0 "[ . 1]" 1
868 1 48 VAL MG1 1 52 LEU HG 4.200 . 6.500 4.714 3.790 6.377 . 0 0 "[ . 1]" 1
869 1 48 VAL MG1 1 53 HIS HD2 2.900 . 4.500 3.999 3.032 4.779 0.279 2 0 "[ . 1]" 1
870 1 48 VAL MG1 1 55 CYS H 4.000 . 6.500 3.433 2.734 3.970 . 0 0 "[ . 1]" 1
871 1 48 VAL MG1 1 55 CYS HA 2.800 . 4.300 2.217 1.762 2.970 0.058 4 0 "[ . 1]" 1
872 1 48 VAL MG1 1 55 CYS HB2 4.400 . 6.500 4.073 3.478 4.432 . 0 0 "[ . 1]" 1
873 1 48 VAL MG1 1 55 CYS HB3 4.400 . 6.500 4.413 3.997 4.841 . 0 0 "[ . 1]" 1
874 1 48 VAL MG1 1 56 PRO HG2 3.600 . 5.700 4.034 3.359 5.745 0.045 7 0 "[ . 1]" 1
875 1 48 VAL MG1 1 56 PRO HG3 3.600 . 5.700 3.109 1.970 5.128 0.010 5 0 "[ . 1]" 1
876 1 48 VAL MG2 1 49 HIS H 3.100 . 4.800 3.065 2.160 4.301 . 0 0 "[ . 1]" 1
877 1 48 VAL MG2 1 55 CYS HA 3.200 . 5.000 2.686 1.972 3.875 . 0 0 "[ . 1]" 1
878 1 48 VAL MG2 1 56 PRO HB3 3.300 . 5.200 4.803 3.949 5.405 0.205 10 0 "[ . 1]" 1
879 1 48 VAL MG2 1 56 PRO HG2 3.300 . 5.200 4.523 3.268 5.266 0.066 3 0 "[ . 1]" 1
880 1 48 VAL MG2 1 56 PRO HG3 3.300 . 5.200 3.618 2.303 4.340 . 0 0 "[ . 1]" 1
881 1 49 HIS H 1 49 HIS HB2 3.100 . 4.800 2.950 2.524 3.671 . 0 0 "[ . 1]" 1
882 1 49 HIS H 1 49 HIS HB3 3.300 . 5.200 3.728 2.914 4.171 . 0 0 "[ . 1]" 1
883 1 49 HIS H 1 50 ASP HA 4.800 . 6.500 5.168 4.508 5.516 . 0 0 "[ . 1]" 1
884 1 49 HIS HA 1 52 LEU H 4.300 . 6.500 4.921 4.314 6.075 . 0 0 "[ . 1]" 1
885 1 49 HIS HA 1 52 LEU MD2 2.600 . 6.500 6.394 5.773 6.681 0.181 9 0 "[ . 1]" 1
886 1 49 HIS HB2 1 50 ASP H 4.100 . 6.500 3.191 2.255 4.290 . 0 0 "[ . 1]" 1
887 1 49 HIS HB2 1 52 LEU H 3.700 . 6.500 6.220 5.019 6.658 0.158 4 0 "[ . 1]" 1
888 1 49 HIS HB3 1 50 ASP H 4.500 . 6.500 3.719 1.932 4.339 0.038 5 0 "[ . 1]" 1
889 1 50 ASP H 1 50 ASP HB2 3.600 . 5.700 2.930 2.434 3.727 . 0 0 "[ . 1]" 1
890 1 50 ASP H 1 50 ASP HB3 3.600 . 5.700 2.798 2.392 4.180 . 0 0 "[ . 1]" 1
891 1 50 ASP H 1 51 SER H 3.200 . 5.000 2.878 1.932 3.894 . 0 0 "[ . 1]" 1
892 1 50 ASP HA 1 50 ASP HB2 2.800 . 4.300 2.537 2.407 3.016 . 0 0 "[ . 1]" 1
893 1 50 ASP HA 1 51 SER H 3.700 . 5.900 3.431 3.102 3.655 . 0 0 "[ . 1]" 1
894 1 50 ASP HB2 1 51 SER H 4.100 . 6.500 3.580 2.980 4.173 . 0 0 "[ . 1]" 1
895 1 50 ASP HB3 1 51 SER H 3.600 . 5.700 2.714 1.976 4.014 0.004 9 0 "[ . 1]" 1
896 1 51 SER H 1 51 SER HB2 3.100 . 4.800 2.614 2.354 3.255 . 0 0 "[ . 1]" 1
897 1 51 SER H 1 51 SER HB3 3.100 . 4.800 3.238 2.445 4.092 . 0 0 "[ . 1]" 1
898 1 51 SER H 1 52 LEU H 3.000 . 4.600 2.620 1.732 3.041 0.148 7 0 "[ . 1]" 1
899 1 51 SER H 1 52 LEU HA 5.000 . 6.500 5.060 4.076 5.425 . 0 0 "[ . 1]" 1
900 1 51 SER H 1 52 LEU HG 4.300 . 6.500 6.045 5.428 6.548 0.048 8 0 "[ . 1]" 1
901 1 51 SER HA 1 51 SER HB2 2.800 . 4.300 2.789 2.416 3.051 . 0 0 "[ . 1]" 1
902 1 51 SER HA 1 51 SER HB3 2.800 . 4.300 2.688 2.410 3.014 . 0 0 "[ . 1]" 1
903 1 51 SER HA 1 52 LEU H 3.800 . 6.100 3.457 3.057 3.616 . 0 0 "[ . 1]" 1
904 1 51 SER HB2 1 52 LEU MD1 3.600 . 5.700 3.298 1.955 5.078 0.025 2 0 "[ . 1]" 1
905 1 51 SER HB2 1 52 LEU HG 4.000 . 6.500 5.542 3.936 6.548 0.048 6 0 "[ . 1]" 1
906 1 51 SER HB3 1 52 LEU MD1 3.600 . 5.700 3.232 2.001 5.577 . 0 0 "[ . 1]" 1
907 1 51 SER HB3 1 52 LEU HG 4.000 . 6.500 5.077 4.416 6.599 0.099 7 0 "[ . 1]" 1
908 1 52 LEU H 1 52 LEU HA 3.000 . 4.600 2.864 2.692 2.954 . 0 0 "[ . 1]" 1
909 1 52 LEU H 1 52 LEU HB2 3.500 . 5.500 2.539 2.050 3.871 . 0 0 "[ . 1]" 1
910 1 52 LEU H 1 52 LEU HB3 3.700 . 5.900 3.400 2.348 3.891 . 0 0 "[ . 1]" 1
911 1 52 LEU H 1 52 LEU MD1 3.200 . 5.000 2.741 1.935 3.839 . 0 0 "[ . 1]" 1
912 1 52 LEU H 1 52 LEU MD2 3.900 . 6.300 4.117 3.275 4.447 . 0 0 "[ . 1]" 1
913 1 52 LEU H 1 52 LEU HG 3.300 . 5.200 4.094 3.611 4.557 . 0 0 "[ . 1]" 1
914 1 52 LEU HA 1 52 LEU HB3 2.800 . 4.300 2.578 2.273 2.947 . 0 0 "[ . 1]" 1
915 1 52 LEU HA 1 52 LEU MD1 2.800 . 4.300 2.868 2.175 3.450 . 0 0 "[ . 1]" 1
916 1 52 LEU HA 1 52 LEU MD2 3.000 . 4.600 3.695 3.584 3.882 . 0 0 "[ . 1]" 1
917 1 52 LEU HA 1 52 LEU HG 3.400 . 5.300 2.613 2.132 4.204 . 0 0 "[ . 1]" 1
918 1 52 LEU HA 1 53 HIS H 2.800 . 4.300 2.914 2.041 3.654 . 0 0 "[ . 1]" 1
919 1 52 LEU HB2 1 52 LEU MD1 2.600 . 4.000 2.314 2.080 3.181 . 0 0 "[ . 1]" 1
920 1 52 LEU HB2 1 52 LEU MD2 3.000 . 4.700 2.458 2.139 2.744 . 0 0 "[ . 1]" 1
921 1 52 LEU HB3 1 52 LEU MD2 2.300 . 3.500 2.266 2.091 3.196 . 0 0 "[ . 1]" 1
922 1 52 LEU MD1 1 52 LEU MD2 2.000 . 3.000 2.123 2.060 2.153 . 0 0 "[ . 1]" 1
923 1 52 LEU MD1 1 53 HIS H 4.600 . 6.500 4.070 3.331 4.607 . 0 0 "[ . 1]" 1
924 1 52 LEU MD1 1 53 HIS HA 4.600 . 6.500 6.016 5.678 6.339 . 0 0 "[ . 1]" 1
925 1 52 LEU MD2 1 52 LEU HG 2.300 . 3.400 2.131 2.111 2.165 . 0 0 "[ . 1]" 1
926 1 52 LEU MD2 1 53 HIS HD2 3.900 . 6.300 3.656 2.000 4.540 . 0 0 "[ . 1]" 1
927 1 52 LEU MD2 1 55 CYS HB2 4.500 . 6.500 6.134 4.942 6.599 0.099 1 0 "[ . 1]" 1
928 1 52 LEU MD2 1 55 CYS HB3 4.500 . 6.500 5.794 4.912 6.515 0.015 9 0 "[ . 1]" 1
929 1 52 LEU MD2 1 56 PRO HG2 2.800 . 4.300 4.519 4.409 4.789 0.489 7 0 "[ . 1]" 1
930 1 52 LEU MD2 1 56 PRO HG3 2.800 . 4.300 3.710 3.328 4.335 0.035 6 0 "[ . 1]" 1
931 1 52 LEU HG 1 53 HIS HA 3.900 . 6.500 5.860 4.628 6.621 0.121 6 0 "[ . 1]" 1
932 1 53 HIS HB2 1 54 SER H 3.600 . 5.700 3.451 1.962 4.102 0.018 9 0 "[ . 1]" 1
933 1 53 HIS HD2 1 54 SER HA 4.700 . 6.500 5.349 4.638 6.588 0.088 8 0 "[ . 1]" 1
934 1 53 HIS HD2 1 55 CYS H 3.900 . 6.300 2.248 1.884 3.771 0.116 4 0 "[ . 1]" 1
935 1 53 HIS HD2 1 55 CYS HA 3.100 . 4.800 4.178 3.800 4.932 0.132 8 0 "[ . 1]" 1
936 1 53 HIS HD2 1 56 PRO HB3 4.200 . 6.500 5.978 4.960 6.439 . 0 0 "[ . 1]" 1
937 1 53 HIS HD2 1 56 PRO HG2 4.200 . 6.500 6.454 5.613 6.712 0.212 9 0 "[ . 1]" 1
938 1 53 HIS HD2 1 56 PRO HG3 4.200 . 6.500 6.430 5.803 6.759 0.259 2 0 "[ . 1]" 1
939 1 53 HIS HD2 1 58 CYS H 4.000 . 6.500 3.095 2.291 4.246 . 0 0 "[ . 1]" 1
940 1 53 HIS HD2 1 58 CYS HA 3.900 . 6.300 5.388 4.571 6.431 0.131 2 0 "[ . 1]" 1
941 1 53 HIS HD2 1 59 ILE MD 2.600 . 6.500 4.562 3.956 5.546 . 0 0 "[ . 1]" 1
942 1 53 HIS HD2 1 59 ILE MG 2.600 . 6.500 6.320 5.899 6.636 0.136 9 0 "[ . 1]" 1
943 1 53 HIS HE1 1 59 ILE H 4.200 . 6.500 4.368 3.042 5.818 . 0 0 "[ . 1]" 1
944 1 54 SER H 1 54 SER HB2 3.200 . 4.900 2.834 2.437 3.641 . 0 0 "[ . 1]" 1
945 1 54 SER H 1 54 SER HB3 3.200 . 5.000 3.099 2.421 3.568 . 0 0 "[ . 1]" 1
946 1 54 SER H 1 55 CYS H 4.100 . 6.500 2.794 2.126 3.065 . 0 0 "[ . 1]" 1
947 1 54 SER HA 1 54 SER HB3 3.000 . 4.600 2.617 2.422 3.042 . 0 0 "[ . 1]" 1
948 1 54 SER HB2 1 55 CYS H 3.400 . 5.300 3.400 2.760 4.282 . 0 0 "[ . 1]" 1
949 1 54 SER HB3 1 55 CYS H 3.300 . 5.200 3.588 2.545 4.198 . 0 0 "[ . 1]" 1
950 1 55 CYS H 1 55 CYS HB2 3.000 . 4.600 3.312 2.983 3.834 . 0 0 "[ . 1]" 1
951 1 55 CYS H 1 55 CYS HB3 3.000 . 4.600 2.695 2.412 3.220 . 0 0 "[ . 1]" 1
952 1 55 CYS H 1 58 CYS HA 4.800 . 6.500 6.284 5.045 6.646 0.146 5 0 "[ . 1]" 1
953 1 55 CYS H 1 58 CYS HB2 3.700 . 5.900 3.974 2.674 4.744 . 0 0 "[ . 1]" 1
954 1 55 CYS H 1 58 CYS HB3 3.700 . 5.900 5.328 2.942 6.024 0.124 7 0 "[ . 1]" 1
955 1 55 CYS HA 1 57 GLY H 4.300 . 6.500 4.717 3.927 5.930 . 0 0 "[ . 1]" 1
956 1 55 CYS HB2 1 56 PRO HG2 4.200 . 6.500 5.626 4.241 6.298 . 0 0 "[ . 1]" 1
957 1 55 CYS HB2 1 56 PRO HG3 4.200 . 6.500 6.107 4.947 6.527 0.027 7 0 "[ . 1]" 1
958 1 55 CYS HB3 1 56 PRO HG2 4.200 . 6.500 5.869 4.726 6.581 0.081 5 0 "[ . 1]" 1
959 1 55 CYS HB3 1 56 PRO HG3 4.200 . 6.500 6.392 6.129 6.580 0.080 4 0 "[ . 1]" 1
960 1 56 PRO HA 1 56 PRO HB3 2.400 . 3.600 2.367 2.239 2.578 . 0 0 "[ . 1]" 1
961 1 56 PRO HA 1 57 GLY H 3.500 . 5.500 2.908 1.949 3.457 0.021 9 0 "[ . 1]" 1
962 1 56 PRO HA 1 59 ILE H 3.600 . 6.500 5.605 4.517 6.800 0.300 7 0 "[ . 1]" 1
963 1 56 PRO HB2 1 56 PRO HG3 2.000 . 3.000 2.863 2.730 2.964 . 0 0 "[ . 1]" 1
964 1 56 PRO HB2 1 57 GLY H 3.400 . 5.300 2.552 1.937 3.851 0.023 1 0 "[ . 1]" 1
965 1 56 PRO HB2 1 57 GLY HA2 3.800 . 6.100 4.047 3.133 5.113 . 0 0 "[ . 1]" 1
966 1 56 PRO HB2 1 57 GLY HA3 3.800 . 6.100 3.809 3.542 4.088 . 0 0 "[ . 1]" 1
967 1 56 PRO HB3 1 57 GLY H 3.800 . 6.100 3.511 3.251 3.810 . 0 0 "[ . 1]" 1
968 1 56 PRO HG2 1 57 GLY H 3.800 . 6.100 3.444 1.875 5.460 0.125 2 0 "[ . 1]" 1
969 1 56 PRO HG3 1 57 GLY H 3.800 . 6.100 4.243 3.354 5.126 . 0 0 "[ . 1]" 1
970 1 57 GLY H 1 57 GLY HA2 2.700 . 4.100 2.651 2.186 2.978 . 0 0 "[ . 1]" 1
971 1 57 GLY H 1 57 GLY HA3 2.700 . 4.100 2.593 2.286 2.874 . 0 0 "[ . 1]" 1
972 1 57 GLY H 1 58 CYS H 2.800 . 4.200 2.871 2.728 3.071 . 0 0 "[ . 1]" 1
973 1 57 GLY H 1 58 CYS HA 4.100 . 6.500 5.029 4.594 5.422 . 0 0 "[ . 1]" 1
974 1 57 GLY H 1 58 CYS HB2 4.200 . 6.500 5.147 4.593 5.451 . 0 0 "[ . 1]" 1
975 1 57 GLY H 1 58 CYS HB3 4.200 . 6.500 6.234 4.984 6.675 0.175 9 0 "[ . 1]" 1
976 1 57 GLY H 1 59 ILE H 4.300 . 6.500 4.730 3.871 5.485 . 0 0 "[ . 1]" 1
977 1 57 GLY HA2 1 58 CYS H 2.900 . 4.400 3.195 2.333 3.482 . 0 0 "[ . 1]" 1
978 1 57 GLY HA2 1 59 ILE H 4.100 . 6.500 3.764 2.429 4.489 . 0 0 "[ . 1]" 1
979 1 57 GLY HA3 1 58 CYS H 2.900 . 4.400 3.293 2.960 3.615 . 0 0 "[ . 1]" 1
980 1 57 GLY HA3 1 59 ILE H 4.100 . 6.500 4.599 3.228 5.105 . 0 0 "[ . 1]" 1
981 1 58 CYS H 1 58 CYS HA 2.900 . 4.400 2.782 2.656 2.910 . 0 0 "[ . 1]" 1
982 1 58 CYS H 1 58 CYS HB2 2.800 . 4.300 2.479 2.322 2.661 . 0 0 "[ . 1]" 1
983 1 58 CYS H 1 58 CYS HB3 2.800 . 4.300 3.496 2.351 3.745 . 0 0 "[ . 1]" 1
984 1 58 CYS H 1 59 ILE H 3.100 . 4.800 2.793 2.342 3.147 . 0 0 "[ . 1]" 1
985 1 58 CYS H 1 59 ILE HG13 4.500 . 6.500 4.983 3.591 6.453 . 0 0 "[ . 1]" 1
986 1 58 CYS HA 1 58 CYS HB2 2.800 . 4.300 2.916 2.419 3.055 . 0 0 "[ . 1]" 1
987 1 58 CYS HA 1 58 CYS HB3 2.800 . 4.300 2.598 2.271 3.040 . 0 0 "[ . 1]" 1
988 1 58 CYS HA 1 59 ILE H 3.100 . 4.800 3.420 3.227 3.621 . 0 0 "[ . 1]" 1
989 1 58 CYS HB2 1 59 ILE H 3.300 . 5.100 3.398 2.831 4.068 . 0 0 "[ . 1]" 1
990 1 58 CYS HB3 1 59 ILE H 3.300 . 5.100 3.806 2.755 4.109 . 0 0 "[ . 1]" 1
991 1 59 ILE H 1 59 ILE HA 2.700 . 4.100 2.803 2.778 2.832 . 0 0 "[ . 1]" 1
992 1 59 ILE H 1 59 ILE HB 2.800 . 4.200 2.529 2.449 2.589 . 0 0 "[ . 1]" 1
993 1 59 ILE H 1 59 ILE MD 3.100 . 4.800 3.268 2.683 3.565 . 0 0 "[ . 1]" 1
994 1 59 ILE H 1 59 ILE HG12 3.100 . 4.800 2.869 1.999 3.380 . 0 0 "[ . 1]" 1
995 1 59 ILE H 1 59 ILE HG13 3.000 . 4.600 2.694 1.973 3.755 . 0 0 "[ . 1]" 1
996 1 59 ILE H 1 59 ILE MG 3.100 . 4.800 3.752 3.695 3.807 . 0 0 "[ . 1]" 1
997 1 59 ILE HA 1 59 ILE HB 2.600 . 4.000 3.034 3.019 3.045 . 0 0 "[ . 1]" 1
998 1 59 ILE HA 1 59 ILE MD 2.600 . 3.900 3.136 2.003 3.876 . 0 0 "[ . 1]" 1
999 1 59 ILE HA 1 59 ILE HG12 3.700 . 6.000 2.835 2.512 3.356 . 0 0 "[ . 1]" 1
1000 1 59 ILE HB 1 59 ILE MD 2.200 . 3.300 2.748 2.402 3.246 . 0 0 "[ . 1]" 1
1001 1 59 ILE HB 1 59 ILE MG 2.200 . 3.300 2.124 2.087 2.144 . 0 0 "[ . 1]" 1
1002 1 59 ILE MD 1 59 ILE HG13 2.200 . 3.300 2.123 2.115 2.130 . 0 0 "[ . 1]" 1
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