NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520970 |
2l4f   |
17239 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4f
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 1215
_Distance_constraint_stats_list.Viol_count 3193
_Distance_constraint_stats_list.Viol_total 5357.050
_Distance_constraint_stats_list.Viol_max 0.442
_Distance_constraint_stats_list.Viol_rms 0.0393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.0839
_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 3 ILE 1.927 0.113 18 0 "[ . 1 . 2]"
1 4 LYS 6.508 0.339 9 0 "[ . 1 . 2]"
1 5 ARG 14.888 0.410 10 0 "[ . 1 . 2]"
1 6 LYS 6.946 0.259 15 0 "[ . 1 . 2]"
1 7 ASP 7.597 0.242 11 0 "[ . 1 . 2]"
1 8 ALA 10.281 0.312 16 0 "[ . 1 . 2]"
1 9 SER 19.592 0.367 7 0 "[ . 1 . 2]"
1 10 PRO 13.963 0.367 7 0 "[ . 1 . 2]"
1 11 GLU 20.715 0.264 2 0 "[ . 1 . 2]"
1 12 GLN 11.558 0.280 16 0 "[ . 1 . 2]"
1 13 GLU 14.764 0.252 20 0 "[ . 1 . 2]"
1 14 ALA 9.789 0.252 20 0 "[ . 1 . 2]"
1 15 ILE 14.290 0.274 18 0 "[ . 1 . 2]"
1 16 GLU 11.072 0.174 11 0 "[ . 1 . 2]"
1 17 SER 16.017 0.311 12 0 "[ . 1 . 2]"
1 18 PHE 20.256 0.311 12 0 "[ . 1 . 2]"
1 19 THR 15.579 0.278 18 0 "[ . 1 . 2]"
1 20 SER 7.421 0.300 13 0 "[ . 1 . 2]"
1 21 LEU 4.711 0.152 9 0 "[ . 1 . 2]"
1 22 THR 7.905 0.236 3 0 "[ . 1 . 2]"
1 23 LYS 6.812 0.236 3 0 "[ . 1 . 2]"
1 24 CYS 1.294 0.084 14 0 "[ . 1 . 2]"
1 25 ASP 0.795 0.096 19 0 "[ . 1 . 2]"
1 26 PRO 0.338 0.075 18 0 "[ . 1 . 2]"
1 27 LYS 4.881 0.223 3 0 "[ . 1 . 2]"
1 28 VAL 3.340 0.223 3 0 "[ . 1 . 2]"
1 29 SER 5.609 0.336 12 0 "[ . 1 . 2]"
1 30 ARG 6.917 0.336 12 0 "[ . 1 . 2]"
1 31 LYS 6.467 0.174 2 0 "[ . 1 . 2]"
1 32 TYR 9.367 0.205 10 0 "[ . 1 . 2]"
1 33 LEU 4.669 0.129 7 0 "[ . 1 . 2]"
1 34 GLN 9.515 0.307 14 0 "[ . 1 . 2]"
1 35 ARG 5.178 0.336 14 0 "[ . 1 . 2]"
1 36 ASN 2.743 0.115 19 0 "[ . 1 . 2]"
1 37 HIS 5.140 0.224 1 0 "[ . 1 . 2]"
1 38 TRP 15.176 0.264 2 0 "[ . 1 . 2]"
1 39 ASN 8.187 0.141 7 0 "[ . 1 . 2]"
1 40 ILE 5.238 0.141 7 0 "[ . 1 . 2]"
1 41 ASN 5.996 0.159 18 0 "[ . 1 . 2]"
1 42 TYR 12.240 0.159 18 0 "[ . 1 . 2]"
1 43 ALA 2.999 0.137 5 0 "[ . 1 . 2]"
1 44 LEU 1.729 0.110 13 0 "[ . 1 . 2]"
1 45 ASN 0.583 0.050 15 0 "[ . 1 . 2]"
1 46 ASP 1.308 0.084 4 0 "[ . 1 . 2]"
1 47 TYR 13.184 0.205 10 0 "[ . 1 . 2]"
1 48 TYR 4.615 0.114 10 0 "[ . 1 . 2]"
1 49 ASP 6.302 0.180 15 0 "[ . 1 . 2]"
1 50 LYS 8.295 0.180 15 0 "[ . 1 . 2]"
1 51 GLU 9.431 0.410 15 0 "[ . 1 . 2]"
1 52 ILE 4.386 0.223 19 0 "[ . 1 . 2]"
1 53 GLY 1.738 0.194 8 0 "[ . 1 . 2]"
1 54 THR 4.101 0.240 18 0 "[ . 1 . 2]"
1 55 PHE 12.390 0.309 11 0 "[ . 1 . 2]"
1 56 THR 10.644 0.309 11 0 "[ . 1 . 2]"
1 57 ASP 14.645 0.331 11 0 "[ . 1 . 2]"
1 58 GLU 22.283 0.442 20 0 "[ . 1 . 2]"
1 59 VAL 5.510 0.243 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ILE HA 1 3 ILE HG12 . . 4.130 2.869 2.515 3.675 . 0 0 "[ . 1 . 2]" 1
2 1 3 ILE HA 1 3 ILE HG13 . . 3.990 3.181 2.304 3.832 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE HA 1 3 ILE MG . . 3.550 2.399 2.211 3.236 . 0 0 "[ . 1 . 2]" 1
4 1 3 ILE HA 1 4 LYS H . . 2.770 2.517 2.164 2.883 0.113 18 0 "[ . 1 . 2]" 1
5 1 3 ILE HB 1 4 LYS H . . 4.580 4.430 4.140 4.561 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE MG 1 4 LYS H . . 4.130 3.787 3.355 4.230 0.100 18 0 "[ . 1 . 2]" 1
7 1 3 ILE MG 1 4 LYS HA . . 4.860 4.289 3.787 4.522 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE MG 1 4 LYS QE . . 5.320 5.222 4.282 5.377 0.057 2 0 "[ . 1 . 2]" 1
9 1 3 ILE MG 1 5 ARG H . . 5.500 4.324 2.036 5.394 . 0 0 "[ . 1 . 2]" 1
10 1 3 ILE MG 1 5 ARG HB2 . . 5.160 4.868 2.356 5.219 0.059 8 0 "[ . 1 . 2]" 1
11 1 3 ILE MG 1 5 ARG QD . . 5.040 3.893 2.193 5.073 0.033 20 0 "[ . 1 . 2]" 1
12 1 4 LYS H 1 4 LYS HB2 . . 3.670 2.415 2.126 3.632 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS H 1 4 LYS HB3 . . 3.400 3.439 2.368 3.619 0.219 5 0 "[ . 1 . 2]" 1
14 1 4 LYS H 1 4 LYS QD . . 5.000 3.845 2.607 4.646 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS H 1 4 LYS HG2 . . 4.200 3.087 1.918 4.336 0.136 3 0 "[ . 1 . 2]" 1
16 1 4 LYS HA 1 5 ARG H . . 2.640 2.340 2.085 2.979 0.339 9 0 "[ . 1 . 2]" 1
17 1 4 LYS HB3 1 6 LYS H . . 3.570 3.263 2.413 3.791 0.221 19 0 "[ . 1 . 2]" 1
18 1 4 LYS HG2 1 5 ARG H . . 4.710 4.610 3.227 4.895 0.185 9 0 "[ . 1 . 2]" 1
19 1 5 ARG H 1 5 ARG HB2 . . 3.560 2.687 2.085 3.838 0.278 16 0 "[ . 1 . 2]" 1
20 1 5 ARG H 1 5 ARG HB3 . . 3.180 3.278 2.408 3.590 0.410 10 0 "[ . 1 . 2]" 1
21 1 5 ARG H 1 5 ARG QD . . 4.990 3.508 1.673 4.585 . 0 0 "[ . 1 . 2]" 1
22 1 5 ARG H 1 5 ARG HG2 . . 3.930 2.777 1.907 4.190 0.260 20 0 "[ . 1 . 2]" 1
23 1 5 ARG H 1 5 ARG HG3 . . 4.340 3.853 3.245 4.480 0.140 9 0 "[ . 1 . 2]" 1
24 1 5 ARG H 1 6 LYS H . . 3.310 2.954 2.274 3.356 0.046 11 0 "[ . 1 . 2]" 1
25 1 5 ARG HA 1 5 ARG QD . . 4.160 2.610 1.942 4.237 0.077 14 0 "[ . 1 . 2]" 1
26 1 5 ARG HA 1 5 ARG HG2 . . 3.600 3.162 2.298 3.697 0.097 16 0 "[ . 1 . 2]" 1
27 1 5 ARG HA 1 5 ARG HG3 . . 4.000 3.733 2.404 4.205 0.205 16 0 "[ . 1 . 2]" 1
28 1 5 ARG HA 1 6 LYS H . . 2.720 2.782 2.328 2.949 0.229 7 0 "[ . 1 . 2]" 1
29 1 5 ARG HA 1 6 LYS HG3 . . 3.970 3.875 3.376 4.229 0.259 15 0 "[ . 1 . 2]" 1
30 1 5 ARG HB2 1 5 ARG QD . . 3.500 3.236 2.158 3.567 0.067 16 0 "[ . 1 . 2]" 1
31 1 5 ARG HB2 1 5 ARG HE . . 5.500 4.549 3.669 5.103 . 0 0 "[ . 1 . 2]" 1
32 1 5 ARG HB2 1 5 ARG HG3 . . 2.780 2.418 2.271 2.597 . 0 0 "[ . 1 . 2]" 1
33 1 5 ARG HB3 1 5 ARG QD . . 3.520 2.554 2.264 3.037 . 0 0 "[ . 1 . 2]" 1
34 1 5 ARG HB3 1 5 ARG HE . . 5.500 4.001 2.187 4.868 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG HB3 1 5 ARG HG3 . . 2.640 2.564 2.440 2.993 0.353 18 0 "[ . 1 . 2]" 1
36 1 5 ARG QD 1 6 LYS H . . 5.500 4.566 3.588 5.645 0.145 20 0 "[ . 1 . 2]" 1
37 1 5 ARG HG2 1 6 LYS H . . 4.990 4.703 3.968 5.031 0.041 9 0 "[ . 1 . 2]" 1
38 1 6 LYS H 1 6 LYS HB2 . . 3.510 3.167 2.510 3.532 0.022 19 0 "[ . 1 . 2]" 1
39 1 6 LYS H 1 6 LYS QD . . 5.230 4.370 3.662 4.547 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 6 LYS HG3 . . 4.900 2.658 1.924 3.038 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS H 1 7 ASP H . . 3.410 2.667 1.787 3.448 0.038 2 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 6 LYS QD . . 4.340 3.971 3.902 4.027 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS HA 1 6 LYS QE . . 4.860 4.610 4.404 4.915 0.055 16 0 "[ . 1 . 2]" 1
44 1 6 LYS HA 1 7 ASP H . . 2.990 2.869 2.597 3.097 0.107 8 0 "[ . 1 . 2]" 1
45 1 6 LYS HA 1 7 ASP HB2 . . 4.920 4.950 4.897 4.992 0.072 3 0 "[ . 1 . 2]" 1
46 1 6 LYS HB2 1 7 ASP H . . 4.780 4.182 3.810 4.448 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS HB3 1 6 LYS QD . . 2.400 2.383 2.346 2.416 0.016 4 0 "[ . 1 . 2]" 1
48 1 6 LYS HB3 1 7 ASP H . . 4.720 4.495 4.450 4.537 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS HG2 1 7 ASP H . . 5.080 5.073 4.979 5.122 0.042 12 0 "[ . 1 . 2]" 1
50 1 7 ASP H 1 7 ASP HB2 . . 3.340 3.077 2.373 3.378 0.038 1 0 "[ . 1 . 2]" 1
51 1 7 ASP H 1 7 ASP HB3 . . 3.650 2.865 2.530 3.629 . 0 0 "[ . 1 . 2]" 1
52 1 7 ASP H 1 8 ALA H . . 3.540 1.858 1.662 2.344 . 0 0 "[ . 1 . 2]" 1
53 1 7 ASP H 1 8 ALA HA . . 4.050 4.080 3.839 4.228 0.178 9 0 "[ . 1 . 2]" 1
54 1 7 ASP H 1 8 ALA MB . . 5.030 4.136 3.547 4.533 . 0 0 "[ . 1 . 2]" 1
55 1 7 ASP HA 1 7 ASP HB2 . . 2.910 2.557 2.486 3.010 0.100 10 0 "[ . 1 . 2]" 1
56 1 7 ASP HA 1 8 ALA MB . . 4.110 4.191 4.024 4.352 0.242 11 0 "[ . 1 . 2]" 1
57 1 7 ASP HA 1 9 SER H . . 5.440 5.415 4.491 5.625 0.185 1 0 "[ . 1 . 2]" 1
58 1 7 ASP HB2 1 8 ALA H . . 3.880 3.920 3.248 4.094 0.214 19 0 "[ . 1 . 2]" 1
59 1 7 ASP HB3 1 8 ALA H . . 3.870 2.925 2.215 4.002 0.132 10 0 "[ . 1 . 2]" 1
60 1 7 ASP HB3 1 8 ALA MB . . 5.220 4.177 3.320 4.908 . 0 0 "[ . 1 . 2]" 1
61 1 8 ALA H 1 8 ALA MB . . 3.020 2.794 2.699 2.897 . 0 0 "[ . 1 . 2]" 1
62 1 8 ALA H 1 9 SER H . . 3.990 3.232 2.593 4.302 0.312 16 0 "[ . 1 . 2]" 1
63 1 8 ALA H 1 9 SER HB3 . . 5.500 5.528 4.966 5.746 0.246 8 0 "[ . 1 . 2]" 1
64 1 8 ALA HA 1 9 SER H . . 2.710 2.327 2.035 3.008 0.298 8 0 "[ . 1 . 2]" 1
65 1 8 ALA HA 1 9 SER HB3 . . 4.600 4.268 3.776 4.763 0.163 12 0 "[ . 1 . 2]" 1
66 1 8 ALA HA 1 12 GLN HB2 . . 4.380 2.748 2.195 3.601 . 0 0 "[ . 1 . 2]" 1
67 1 8 ALA HA 1 12 GLN QG . . 4.660 3.867 3.479 4.246 . 0 0 "[ . 1 . 2]" 1
68 1 8 ALA MB 1 12 GLN H . . 5.160 5.069 4.181 5.228 0.068 12 0 "[ . 1 . 2]" 1
69 1 8 ALA MB 1 12 GLN HB2 . . 4.090 3.655 2.379 4.095 0.005 12 0 "[ . 1 . 2]" 1
70 1 8 ALA MB 1 12 GLN HB3 . . 3.850 3.752 2.576 3.946 0.096 5 0 "[ . 1 . 2]" 1
71 1 8 ALA MB 1 13 GLU H . . 4.290 4.031 3.626 4.297 0.007 18 0 "[ . 1 . 2]" 1
72 1 8 ALA MB 1 13 GLU HA . . 5.260 2.865 2.430 3.301 . 0 0 "[ . 1 . 2]" 1
73 1 8 ALA MB 1 13 GLU QB . . 3.770 2.771 2.365 3.097 . 0 0 "[ . 1 . 2]" 1
74 1 8 ALA MB 1 13 GLU HG2 . . 4.920 4.753 4.365 4.991 0.071 15 0 "[ . 1 . 2]" 1
75 1 9 SER H 1 9 SER HB2 . . 4.010 2.500 1.830 3.860 . 0 0 "[ . 1 . 2]" 1
76 1 9 SER H 1 9 SER HB3 . . 3.310 2.551 2.028 2.962 . 0 0 "[ . 1 . 2]" 1
77 1 9 SER H 1 12 GLN H . . 5.490 3.839 3.652 4.778 . 0 0 "[ . 1 . 2]" 1
78 1 9 SER H 1 12 GLN HB2 . . 5.500 2.200 1.966 3.443 . 0 0 "[ . 1 . 2]" 1
79 1 9 SER H 1 12 GLN HB3 . . 3.880 3.356 3.032 4.103 0.223 15 0 "[ . 1 . 2]" 1
80 1 9 SER HA 1 10 PRO HA . . 4.550 4.378 4.269 4.455 . 0 0 "[ . 1 . 2]" 1
81 1 9 SER HA 1 10 PRO HD2 . . 3.320 3.224 3.110 3.327 0.007 12 0 "[ . 1 . 2]" 1
82 1 9 SER HA 1 10 PRO HG2 . . 4.740 4.701 4.607 4.990 0.250 18 0 "[ . 1 . 2]" 1
83 1 9 SER HA 1 10 PRO HG3 . . 4.770 3.969 3.857 4.490 . 0 0 "[ . 1 . 2]" 1
84 1 9 SER HA 1 11 GLU H . . 4.660 4.192 3.971 4.477 . 0 0 "[ . 1 . 2]" 1
85 1 9 SER HB2 1 10 PRO HD2 . . 3.360 3.425 2.848 3.647 0.287 4 0 "[ . 1 . 2]" 1
86 1 9 SER HB2 1 10 PRO HG3 . . 5.420 5.603 4.989 5.787 0.367 7 0 "[ . 1 . 2]" 1
87 1 9 SER HB2 1 11 GLU H . . 4.270 4.116 3.644 4.345 0.075 9 0 "[ . 1 . 2]" 1
88 1 9 SER HB2 1 12 GLN H . . 4.450 3.673 3.574 3.772 . 0 0 "[ . 1 . 2]" 1
89 1 9 SER HB2 1 12 GLN HB2 . . 4.950 3.236 2.682 3.540 . 0 0 "[ . 1 . 2]" 1
90 1 9 SER HB2 1 12 GLN HB3 . . 4.690 4.619 4.119 4.970 0.280 16 0 "[ . 1 . 2]" 1
91 1 9 SER HB2 1 12 GLN QG . . 4.530 2.988 2.177 3.989 . 0 0 "[ . 1 . 2]" 1
92 1 9 SER HB2 1 13 GLU H . . 5.470 5.566 5.482 5.657 0.187 20 0 "[ . 1 . 2]" 1
93 1 9 SER HB3 1 11 GLU H . . 4.650 3.195 2.530 3.862 . 0 0 "[ . 1 . 2]" 1
94 1 9 SER HB3 1 11 GLU HB3 . . 5.290 5.355 4.941 5.540 0.250 15 0 "[ . 1 . 2]" 1
95 1 9 SER HB3 1 12 GLN H . . 4.670 2.395 2.273 2.817 . 0 0 "[ . 1 . 2]" 1
96 1 9 SER HB3 1 12 GLN HB2 . . 4.000 2.282 1.789 2.959 . 0 0 "[ . 1 . 2]" 1
97 1 9 SER HB3 1 12 GLN HB3 . . 4.280 3.753 3.190 4.372 0.092 18 0 "[ . 1 . 2]" 1
98 1 9 SER HB3 1 12 GLN QG . . 4.900 2.205 1.821 3.487 . 0 0 "[ . 1 . 2]" 1
99 1 9 SER HB3 1 13 GLU H . . 4.890 4.417 4.235 4.707 . 0 0 "[ . 1 . 2]" 1
100 1 10 PRO HA 1 12 GLN H . . 5.250 4.586 4.268 4.780 . 0 0 "[ . 1 . 2]" 1
101 1 10 PRO HA 1 13 GLU H . . 4.030 4.010 3.886 4.063 0.033 15 0 "[ . 1 . 2]" 1
102 1 10 PRO HA 1 13 GLU QB . . 3.940 3.973 3.950 4.030 0.090 15 0 "[ . 1 . 2]" 1
103 1 10 PRO HA 1 13 GLU HG2 . . 4.560 2.774 2.671 2.839 . 0 0 "[ . 1 . 2]" 1
104 1 10 PRO HA 1 13 GLU HG3 . . 4.390 4.303 4.194 4.385 . 0 0 "[ . 1 . 2]" 1
105 1 10 PRO HA 1 14 ALA H . . 5.500 5.587 5.563 5.634 0.134 12 0 "[ . 1 . 2]" 1
106 1 10 PRO HB2 1 11 GLU H . . 4.500 2.811 2.698 3.596 . 0 0 "[ . 1 . 2]" 1
107 1 10 PRO HB3 1 11 GLU H . . 3.900 4.059 4.015 4.088 0.188 9 0 "[ . 1 . 2]" 1
108 1 10 PRO HB3 1 11 GLU HG2 . . 5.110 5.163 5.056 5.248 0.138 18 0 "[ . 1 . 2]" 1
109 1 10 PRO HB3 1 11 GLU HG3 . . 5.110 4.601 4.518 4.886 . 0 0 "[ . 1 . 2]" 1
110 1 10 PRO HD2 1 11 GLU H . . 3.980 2.170 1.885 2.260 . 0 0 "[ . 1 . 2]" 1
111 1 10 PRO HD2 1 11 GLU HG2 . . 5.330 4.552 4.133 4.802 . 0 0 "[ . 1 . 2]" 1
112 1 10 PRO HD2 1 12 GLN QE . . 5.500 5.455 4.463 5.612 0.112 5 0 "[ . 1 . 2]" 1
113 1 10 PRO HD2 1 13 GLU H . . 5.500 5.385 5.111 5.438 . 0 0 "[ . 1 . 2]" 1
114 1 10 PRO HD3 1 11 GLU H . . 5.030 3.546 3.332 3.669 . 0 0 "[ . 1 . 2]" 1
115 1 10 PRO HG2 1 11 GLU H . . 4.680 3.911 2.462 4.085 . 0 0 "[ . 1 . 2]" 1
116 1 10 PRO HG3 1 11 GLU H . . 5.030 4.319 3.772 4.381 . 0 0 "[ . 1 . 2]" 1
117 1 10 PRO HG3 1 11 GLU HG3 . . 5.260 5.111 3.734 5.277 0.017 5 0 "[ . 1 . 2]" 1
118 1 11 GLU H 1 11 GLU HB2 . . 4.020 2.474 2.323 2.617 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLU H 1 11 GLU HB3 . . 3.830 3.611 3.535 3.673 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLU H 1 11 GLU HG2 . . 3.730 3.298 3.059 3.385 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLU H 1 11 GLU HG3 . . 3.930 2.168 2.080 2.251 . 0 0 "[ . 1 . 2]" 1
122 1 11 GLU H 1 12 GLN H . . 3.650 2.212 2.091 2.297 . 0 0 "[ . 1 . 2]" 1
123 1 11 GLU H 1 12 GLN HB2 . . 5.500 4.223 3.836 4.435 . 0 0 "[ . 1 . 2]" 1
124 1 11 GLU H 1 13 GLU H . . 4.830 3.732 3.659 3.830 . 0 0 "[ . 1 . 2]" 1
125 1 11 GLU H 1 38 TRP HZ3 . . 5.260 4.650 4.531 4.740 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLU HA 1 11 GLU HG2 . . 3.590 2.511 2.427 2.606 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLU HA 1 11 GLU HG3 . . 3.590 3.200 3.116 3.402 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLU HA 1 13 GLU H . . 4.930 3.927 3.810 4.059 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLU HA 1 14 ALA H . . 4.380 3.809 3.729 3.914 . 0 0 "[ . 1 . 2]" 1
130 1 11 GLU HA 1 14 ALA MB . . 3.880 3.658 3.544 3.853 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLU HA 1 15 ILE H . . 5.240 3.961 3.887 4.040 . 0 0 "[ . 1 . 2]" 1
132 1 11 GLU HA 1 15 ILE MD . . 5.220 3.674 3.566 3.761 . 0 0 "[ . 1 . 2]" 1
133 1 11 GLU HA 1 38 TRP HE3 . . 4.630 2.702 2.559 2.849 . 0 0 "[ . 1 . 2]" 1
134 1 11 GLU HA 1 38 TRP HZ3 . . 4.710 2.133 2.035 2.238 . 0 0 "[ . 1 . 2]" 1
135 1 11 GLU HB2 1 12 GLN H . . 3.960 2.514 2.297 2.885 . 0 0 "[ . 1 . 2]" 1
136 1 11 GLU HB2 1 12 GLN QG . . 4.870 3.481 2.906 4.249 . 0 0 "[ . 1 . 2]" 1
137 1 11 GLU HB2 1 13 GLU H . . 5.500 4.697 4.550 4.862 . 0 0 "[ . 1 . 2]" 1
138 1 11 GLU HB2 1 15 ILE HB . . 4.190 4.282 4.246 4.318 0.128 6 0 "[ . 1 . 2]" 1
139 1 11 GLU HB2 1 15 ILE MD . . 4.810 3.097 2.765 3.404 . 0 0 "[ . 1 . 2]" 1
140 1 11 GLU HB2 1 38 TRP HE3 . . 5.210 5.423 5.392 5.474 0.264 2 0 "[ . 1 . 2]" 1
141 1 11 GLU HB2 1 38 TRP HZ3 . . 3.950 3.492 3.398 3.591 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLU HB3 1 12 GLN H . . 4.190 3.730 3.455 4.097 . 0 0 "[ . 1 . 2]" 1
143 1 11 GLU HB3 1 12 GLN QE . . 5.360 2.737 2.226 3.218 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLU HB3 1 12 GLN QG . . 4.880 4.697 4.247 5.040 0.160 11 0 "[ . 1 . 2]" 1
145 1 11 GLU HG2 1 12 GLN H . . 4.680 4.754 4.684 4.799 0.119 2 0 "[ . 1 . 2]" 1
146 1 11 GLU HG2 1 38 TRP HH2 . . 5.200 3.228 3.018 3.635 . 0 0 "[ . 1 . 2]" 1
147 1 11 GLU HG2 1 38 TRP HZ3 . . 5.010 3.327 3.052 3.671 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLU HG3 1 12 GLN H . . 4.680 3.916 3.867 3.962 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLU HG3 1 13 GLU H . . 5.500 5.653 5.621 5.691 0.191 12 0 "[ . 1 . 2]" 1
150 1 11 GLU HG3 1 15 ILE MD . . 4.860 4.708 4.579 4.821 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLU HG3 1 38 TRP HH2 . . 4.340 4.463 4.425 4.524 0.184 18 0 "[ . 1 . 2]" 1
152 1 11 GLU HG3 1 38 TRP HZ3 . . 4.610 4.408 4.223 4.575 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLN H 1 12 GLN HB2 . . 3.590 2.294 1.946 2.432 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLN H 1 12 GLN HB3 . . 3.490 3.521 3.343 3.563 0.073 4 0 "[ . 1 . 2]" 1
155 1 12 GLN H 1 12 GLN QG . . 3.520 2.694 2.232 3.470 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLN H 1 13 GLU H . . 3.560 2.605 2.477 2.689 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLN H 1 13 GLU HA . . 5.320 5.150 5.039 5.216 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLN H 1 13 GLU QB . . 4.870 4.704 4.596 4.788 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLN H 1 13 GLU HG2 . . 5.080 4.074 3.817 4.226 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLN H 1 14 ALA H . . 4.600 4.137 4.039 4.199 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLN H 1 15 ILE MD . . 5.500 4.376 4.236 4.547 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLN HA 1 12 GLN QE . . 5.040 2.169 1.943 2.325 . 0 0 "[ . 1 . 2]" 1
163 1 12 GLN HA 1 12 GLN QG . . 3.330 2.875 2.493 3.165 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLN HA 1 14 ALA H . . 4.980 3.641 3.562 3.740 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLN HA 1 15 ILE H . . 4.080 3.115 3.019 3.207 . 0 0 "[ . 1 . 2]" 1
166 1 12 GLN HA 1 15 ILE HB . . 4.160 2.198 2.137 2.248 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLN HA 1 15 ILE MD . . 3.750 3.645 3.456 3.786 0.036 14 0 "[ . 1 . 2]" 1
168 1 12 GLN HA 1 15 ILE HG12 . . 5.090 5.227 5.179 5.279 0.189 12 0 "[ . 1 . 2]" 1
169 1 12 GLN HA 1 15 ILE MG . . 3.870 3.229 3.069 3.361 . 0 0 "[ . 1 . 2]" 1
170 1 12 GLN HA 1 16 GLU H . . 4.370 2.409 2.252 2.584 . 0 0 "[ . 1 . 2]" 1
171 1 12 GLN HA 1 17 SER H . . 5.120 4.787 4.572 4.976 . 0 0 "[ . 1 . 2]" 1
172 1 12 GLN HB2 1 13 GLU H . . 4.350 3.261 3.173 3.447 . 0 0 "[ . 1 . 2]" 1
173 1 12 GLN HB3 1 13 GLU H . . 4.450 4.059 3.818 4.218 . 0 0 "[ . 1 . 2]" 1
174 1 12 GLN QE 1 15 ILE HB . . 4.880 2.347 2.119 2.580 . 0 0 "[ . 1 . 2]" 1
175 1 12 GLN QE 1 15 ILE MD . . 4.870 2.221 2.118 2.335 . 0 0 "[ . 1 . 2]" 1
176 1 12 GLN QE 1 15 ILE MG . . 5.040 2.275 1.968 2.832 . 0 0 "[ . 1 . 2]" 1
177 1 12 GLN QE 1 16 GLU HG2 . . 4.710 3.693 3.241 4.295 . 0 0 "[ . 1 . 2]" 1
178 1 12 GLN QE 1 16 GLU HG3 . . 4.590 3.309 2.881 3.627 . 0 0 "[ . 1 . 2]" 1
179 1 12 GLN QE 1 38 TRP HZ3 . . 5.500 3.860 3.575 4.204 . 0 0 "[ . 1 . 2]" 1
180 1 12 GLN QG 1 15 ILE MD . . 4.670 4.406 4.233 4.562 . 0 0 "[ . 1 . 2]" 1
181 1 12 GLN QG 1 16 GLU H . . 5.500 4.637 3.885 5.145 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLU H 1 13 GLU QB . . 3.010 2.646 2.600 2.683 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLU H 1 13 GLU HG2 . . 3.800 2.043 1.960 2.099 . 0 0 "[ . 1 . 2]" 1
184 1 13 GLU H 1 13 GLU HG3 . . 3.890 3.047 2.924 3.118 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLU H 1 14 ALA H . . 3.540 2.333 2.259 2.401 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLU H 1 14 ALA HA . . 4.840 5.047 4.998 5.092 0.252 20 0 "[ . 1 . 2]" 1
187 1 13 GLU H 1 14 ALA MB . . 4.800 4.177 4.105 4.261 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLU HA 1 13 GLU HG2 . . 3.940 3.791 3.770 3.815 . 0 0 "[ . 1 . 2]" 1
189 1 13 GLU HA 1 13 GLU HG3 . . 3.620 3.669 3.663 3.675 0.055 18 0 "[ . 1 . 2]" 1
190 1 13 GLU HA 1 15 ILE H . . 5.290 5.036 4.906 5.216 . 0 0 "[ . 1 . 2]" 1
191 1 13 GLU HA 1 17 SER H . . 4.310 4.460 4.418 4.490 0.180 20 0 "[ . 1 . 2]" 1
192 1 13 GLU QB 1 13 GLU HG3 . . 2.770 2.408 2.398 2.422 . 0 0 "[ . 1 . 2]" 1
193 1 13 GLU QB 1 14 ALA H . . 3.810 3.747 3.726 3.771 . 0 0 "[ . 1 . 2]" 1
194 1 13 GLU HG2 1 14 ALA H . . 4.550 3.109 3.052 3.230 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLU HG3 1 14 ALA H . . 4.600 2.814 2.759 2.879 . 0 0 "[ . 1 . 2]" 1
196 1 13 GLU HG3 1 15 ILE H . . 4.890 4.929 4.909 4.947 0.057 14 0 "[ . 1 . 2]" 1
197 1 14 ALA H 1 14 ALA MB . . 3.150 2.404 2.369 2.446 . 0 0 "[ . 1 . 2]" 1
198 1 14 ALA H 1 15 ILE H . . 3.740 2.189 2.114 2.277 . 0 0 "[ . 1 . 2]" 1
199 1 14 ALA H 1 15 ILE HA . . 5.500 4.832 4.784 4.884 . 0 0 "[ . 1 . 2]" 1
200 1 14 ALA H 1 15 ILE MD . . 5.300 4.892 4.710 5.067 . 0 0 "[ . 1 . 2]" 1
201 1 14 ALA H 1 15 ILE MG . . 5.380 5.255 5.156 5.333 . 0 0 "[ . 1 . 2]" 1
202 1 14 ALA H 1 16 GLU H . . 4.890 3.795 3.697 3.901 . 0 0 "[ . 1 . 2]" 1
203 1 14 ALA H 1 17 SER H . . 5.500 4.421 4.325 4.511 . 0 0 "[ . 1 . 2]" 1
204 1 14 ALA H 1 33 LEU QD . . 5.370 4.059 3.946 4.135 . 0 0 "[ . 1 . 2]" 1
205 1 14 ALA H 1 38 TRP HZ3 . . 5.360 4.326 4.241 4.475 . 0 0 "[ . 1 . 2]" 1
206 1 14 ALA H 1 40 ILE MD . . 4.800 4.815 4.783 4.833 0.033 14 0 "[ . 1 . 2]" 1
207 1 14 ALA HA 1 16 GLU H . . 5.130 4.747 4.656 4.832 . 0 0 "[ . 1 . 2]" 1
208 1 14 ALA HA 1 17 SER H . . 3.900 3.653 3.532 3.740 . 0 0 "[ . 1 . 2]" 1
209 1 14 ALA HA 1 17 SER HB2 . . 3.770 3.664 3.606 3.697 . 0 0 "[ . 1 . 2]" 1
210 1 14 ALA HA 1 17 SER HB3 . . 3.850 2.856 2.749 2.932 . 0 0 "[ . 1 . 2]" 1
211 1 14 ALA HA 1 18 PHE H . . 5.120 4.046 3.897 4.160 . 0 0 "[ . 1 . 2]" 1
212 1 14 ALA HA 1 18 PHE HB3 . . 4.970 5.076 5.042 5.168 0.198 18 0 "[ . 1 . 2]" 1
213 1 14 ALA HA 1 33 LEU QD . . 5.010 3.663 3.511 3.786 . 0 0 "[ . 1 . 2]" 1
214 1 14 ALA HA 1 40 ILE HB . . 4.970 3.628 3.476 3.873 . 0 0 "[ . 1 . 2]" 1
215 1 14 ALA HA 1 40 ILE MD . . 3.790 2.157 2.138 2.180 . 0 0 "[ . 1 . 2]" 1
216 1 14 ALA MB 1 15 ILE H . . 3.650 2.460 2.329 2.567 . 0 0 "[ . 1 . 2]" 1
217 1 14 ALA MB 1 15 ILE HA . . 5.000 3.843 3.800 3.903 . 0 0 "[ . 1 . 2]" 1
218 1 14 ALA MB 1 15 ILE HB . . 4.560 4.343 4.267 4.463 . 0 0 "[ . 1 . 2]" 1
219 1 14 ALA MB 1 16 GLU H . . 5.130 4.755 4.692 4.813 . 0 0 "[ . 1 . 2]" 1
220 1 14 ALA MB 1 17 SER H . . 5.500 4.652 4.591 4.688 . 0 0 "[ . 1 . 2]" 1
221 1 14 ALA MB 1 17 SER HB2 . . 5.070 5.116 5.077 5.133 0.063 2 0 "[ . 1 . 2]" 1
222 1 14 ALA MB 1 17 SER HB3 . . 5.160 4.346 4.264 4.410 . 0 0 "[ . 1 . 2]" 1
223 1 14 ALA MB 1 18 PHE H . . 5.500 4.607 4.509 4.675 . 0 0 "[ . 1 . 2]" 1
224 1 14 ALA MB 1 18 PHE QD . . 5.440 4.356 3.953 4.635 . 0 0 "[ . 1 . 2]" 1
225 1 14 ALA MB 1 33 LEU HA . . 5.180 5.193 5.030 5.280 0.100 10 0 "[ . 1 . 2]" 1
226 1 14 ALA MB 1 33 LEU HB3 . . 5.010 4.078 3.783 4.301 . 0 0 "[ . 1 . 2]" 1
227 1 14 ALA MB 1 33 LEU QD . . 3.430 1.924 1.810 2.017 . 0 0 "[ . 1 . 2]" 1
228 1 14 ALA MB 1 33 LEU HG . . 4.510 3.690 2.804 4.219 . 0 0 "[ . 1 . 2]" 1
229 1 14 ALA MB 1 38 TRP HA . . 5.140 4.004 3.784 4.192 . 0 0 "[ . 1 . 2]" 1
230 1 14 ALA MB 1 38 TRP HB2 . . 5.140 4.440 4.212 4.756 . 0 0 "[ . 1 . 2]" 1
231 1 14 ALA MB 1 38 TRP HE3 . . 3.320 2.351 2.210 2.485 . 0 0 "[ . 1 . 2]" 1
232 1 14 ALA MB 1 38 TRP HZ3 . . 3.910 3.486 3.269 3.747 . 0 0 "[ . 1 . 2]" 1
233 1 14 ALA MB 1 40 ILE H . . 5.500 4.143 3.891 4.350 . 0 0 "[ . 1 . 2]" 1
234 1 14 ALA MB 1 40 ILE MD . . 3.720 3.009 2.895 3.098 . 0 0 "[ . 1 . 2]" 1
235 1 14 ALA MB 1 40 ILE HG13 . . 5.100 3.016 2.841 3.228 . 0 0 "[ . 1 . 2]" 1
236 1 15 ILE H 1 15 ILE HB . . 3.550 2.251 2.210 2.296 . 0 0 "[ . 1 . 2]" 1
237 1 15 ILE H 1 15 ILE MD . . 4.040 3.465 3.305 3.606 . 0 0 "[ . 1 . 2]" 1
238 1 15 ILE H 1 15 ILE HG12 . . 4.420 3.813 3.745 3.878 . 0 0 "[ . 1 . 2]" 1
239 1 15 ILE H 1 15 ILE HG13 . . 4.390 2.487 2.407 2.581 . 0 0 "[ . 1 . 2]" 1
240 1 15 ILE H 1 15 ILE MG . . 3.930 3.702 3.668 3.726 . 0 0 "[ . 1 . 2]" 1
241 1 15 ILE H 1 16 GLU H . . 3.970 2.980 2.921 3.065 . 0 0 "[ . 1 . 2]" 1
242 1 15 ILE H 1 16 GLU HA . . 5.500 5.454 5.419 5.501 0.001 16 0 "[ . 1 . 2]" 1
243 1 15 ILE H 1 16 GLU HG2 . . 5.500 5.448 5.353 5.516 0.016 7 0 "[ . 1 . 2]" 1
244 1 15 ILE H 1 17 SER HB3 . . 5.350 5.365 5.329 5.393 0.043 11 0 "[ . 1 . 2]" 1
245 1 15 ILE H 1 33 LEU QD . . 4.510 3.025 2.819 3.204 . 0 0 "[ . 1 . 2]" 1
246 1 15 ILE H 1 38 TRP HH2 . . 5.500 5.566 5.523 5.603 0.103 10 0 "[ . 1 . 2]" 1
247 1 15 ILE H 1 38 TRP HZ3 . . 5.000 3.323 3.230 3.425 . 0 0 "[ . 1 . 2]" 1
248 1 15 ILE HA 1 15 ILE MG . . 3.400 2.643 2.598 2.690 . 0 0 "[ . 1 . 2]" 1
249 1 15 ILE HA 1 17 SER H . . 5.350 4.147 4.080 4.205 . 0 0 "[ . 1 . 2]" 1
250 1 15 ILE HA 1 18 PHE H . . 4.460 3.440 3.358 3.528 . 0 0 "[ . 1 . 2]" 1
251 1 15 ILE HA 1 18 PHE HA . . 5.330 5.403 5.374 5.453 0.123 15 0 "[ . 1 . 2]" 1
252 1 15 ILE HA 1 18 PHE HB3 . . 4.920 2.530 2.491 2.634 . 0 0 "[ . 1 . 2]" 1
253 1 15 ILE HA 1 19 THR H . . 4.870 3.287 3.219 3.377 . 0 0 "[ . 1 . 2]" 1
254 1 15 ILE HA 1 19 THR HB . . 4.640 3.702 3.618 3.844 . 0 0 "[ . 1 . 2]" 1
255 1 15 ILE HA 1 29 SER HB3 . . 4.590 3.192 2.252 4.150 . 0 0 "[ . 1 . 2]" 1
256 1 15 ILE HA 1 33 LEU QD . . 3.600 2.568 2.423 2.751 . 0 0 "[ . 1 . 2]" 1
257 1 15 ILE HA 1 40 ILE MD . . 5.060 4.956 4.791 5.091 0.031 8 0 "[ . 1 . 2]" 1
258 1 15 ILE HB 1 16 GLU H . . 3.470 2.773 2.717 2.819 . 0 0 "[ . 1 . 2]" 1
259 1 15 ILE MD 1 16 GLU H . . 4.590 4.636 4.601 4.660 0.070 6 0 "[ . 1 . 2]" 1
260 1 15 ILE MD 1 30 ARG H . . 4.680 3.545 3.329 4.013 . 0 0 "[ . 1 . 2]" 1
261 1 15 ILE MD 1 30 ARG HA . . 3.720 2.831 2.609 3.161 . 0 0 "[ . 1 . 2]" 1
262 1 15 ILE MD 1 30 ARG HB2 . . 4.450 2.327 2.041 2.714 . 0 0 "[ . 1 . 2]" 1
263 1 15 ILE MD 1 30 ARG HD2 . . 5.020 3.009 2.106 4.758 . 0 0 "[ . 1 . 2]" 1
264 1 15 ILE MD 1 30 ARG HD3 . . 4.650 4.090 3.499 4.535 . 0 0 "[ . 1 . 2]" 1
265 1 15 ILE MD 1 30 ARG HE . . 5.500 4.384 2.851 5.447 . 0 0 "[ . 1 . 2]" 1
266 1 15 ILE MD 1 31 LYS H . . 5.500 5.349 5.140 5.514 0.014 19 0 "[ . 1 . 2]" 1
267 1 15 ILE MD 1 33 LEU QD . . 4.300 3.195 3.047 3.459 . 0 0 "[ . 1 . 2]" 1
268 1 15 ILE MD 1 38 TRP HH2 . . 3.550 2.149 2.107 2.199 . 0 0 "[ . 1 . 2]" 1
269 1 15 ILE MD 1 38 TRP HZ2 . . 4.100 3.910 3.775 4.072 . 0 0 "[ . 1 . 2]" 1
270 1 15 ILE MD 1 38 TRP HZ3 . . 3.930 2.225 2.117 2.381 . 0 0 "[ . 1 . 2]" 1
271 1 15 ILE HG12 1 30 ARG HA . . 4.600 3.268 2.988 3.462 . 0 0 "[ . 1 . 2]" 1
272 1 15 ILE HG12 1 33 LEU QD . . 4.410 2.646 2.491 2.950 . 0 0 "[ . 1 . 2]" 1
273 1 15 ILE HG12 1 38 TRP HZ3 . . 5.090 4.002 3.829 4.166 . 0 0 "[ . 1 . 2]" 1
274 1 15 ILE HG13 1 15 ILE MG . . 3.550 3.191 3.171 3.220 . 0 0 "[ . 1 . 2]" 1
275 1 15 ILE HG13 1 16 GLU H . . 5.410 4.667 4.625 4.704 . 0 0 "[ . 1 . 2]" 1
276 1 15 ILE HG13 1 19 THR H . . 5.500 5.728 5.706 5.774 0.274 18 0 "[ . 1 . 2]" 1
277 1 15 ILE HG13 1 30 ARG H . . 5.270 4.458 4.219 5.039 . 0 0 "[ . 1 . 2]" 1
278 1 15 ILE HG13 1 38 TRP HH2 . . 4.010 3.960 3.845 4.054 0.044 18 0 "[ . 1 . 2]" 1
279 1 15 ILE MG 1 16 GLU H . . 4.080 2.872 2.727 3.012 . 0 0 "[ . 1 . 2]" 1
280 1 15 ILE MG 1 16 GLU HA . . 4.400 2.853 2.738 2.932 . 0 0 "[ . 1 . 2]" 1
281 1 15 ILE MG 1 16 GLU HB3 . . 5.320 4.392 4.198 4.529 . 0 0 "[ . 1 . 2]" 1
282 1 15 ILE MG 1 16 GLU HG2 . . 4.960 2.363 2.134 2.551 . 0 0 "[ . 1 . 2]" 1
283 1 15 ILE MG 1 16 GLU HG3 . . 4.120 3.042 2.897 3.171 . 0 0 "[ . 1 . 2]" 1
284 1 15 ILE MG 1 19 THR H . . 5.250 3.692 3.643 3.756 . 0 0 "[ . 1 . 2]" 1
285 1 15 ILE MG 1 19 THR MG . . 4.180 2.658 2.559 2.848 . 0 0 "[ . 1 . 2]" 1
286 1 15 ILE MG 1 26 PRO HA . . 3.910 2.479 2.345 2.758 . 0 0 "[ . 1 . 2]" 1
287 1 15 ILE MG 1 26 PRO HB2 . . 4.190 3.301 2.186 3.860 . 0 0 "[ . 1 . 2]" 1
288 1 15 ILE MG 1 26 PRO HB3 . . 4.610 2.307 2.041 3.020 . 0 0 "[ . 1 . 2]" 1
289 1 15 ILE MG 1 27 LYS H . . 5.500 4.939 4.659 5.305 . 0 0 "[ . 1 . 2]" 1
290 1 15 ILE MG 1 29 SER H . . 5.500 4.365 4.101 4.719 . 0 0 "[ . 1 . 2]" 1
291 1 15 ILE MG 1 29 SER HB2 . . 4.800 3.326 2.274 3.684 . 0 0 "[ . 1 . 2]" 1
292 1 15 ILE MG 1 29 SER HB3 . . 4.290 2.942 2.439 3.776 . 0 0 "[ . 1 . 2]" 1
293 1 15 ILE MG 1 30 ARG H . . 4.240 3.875 3.563 4.236 . 0 0 "[ . 1 . 2]" 1
294 1 15 ILE MG 1 33 LEU QD . . 4.480 3.906 3.822 4.031 . 0 0 "[ . 1 . 2]" 1
295 1 15 ILE MG 1 38 TRP HZ3 . . 5.180 4.580 4.341 4.810 . 0 0 "[ . 1 . 2]" 1
296 1 16 GLU H 1 16 GLU HB2 . . 3.560 2.579 2.540 2.618 . 0 0 "[ . 1 . 2]" 1
297 1 16 GLU H 1 16 GLU HB3 . . 3.590 3.627 3.614 3.638 0.048 16 0 "[ . 1 . 2]" 1
298 1 16 GLU H 1 16 GLU HG2 . . 3.620 2.934 2.849 3.009 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLU H 1 16 GLU HG3 . . 3.890 2.174 2.113 2.243 . 0 0 "[ . 1 . 2]" 1
300 1 16 GLU H 1 17 SER H . . 3.550 2.524 2.473 2.575 . 0 0 "[ . 1 . 2]" 1
301 1 16 GLU H 1 17 SER HB3 . . 5.320 4.935 4.859 4.981 . 0 0 "[ . 1 . 2]" 1
302 1 16 GLU H 1 33 LEU QD . . 5.500 4.939 4.793 5.072 . 0 0 "[ . 1 . 2]" 1
303 1 16 GLU HA 1 16 GLU HG2 . . 4.200 2.325 2.252 2.416 . 0 0 "[ . 1 . 2]" 1
304 1 16 GLU HA 1 16 GLU HG3 . . 3.550 3.273 3.228 3.317 . 0 0 "[ . 1 . 2]" 1
305 1 16 GLU HA 1 19 THR H . . 4.390 3.698 3.571 3.810 . 0 0 "[ . 1 . 2]" 1
306 1 16 GLU HA 1 19 THR HB . . 4.280 3.743 3.609 3.819 . 0 0 "[ . 1 . 2]" 1
307 1 16 GLU HA 1 19 THR MG . . 4.100 1.870 1.810 1.917 . 0 0 "[ . 1 . 2]" 1
308 1 16 GLU HA 1 20 SER H . . 4.770 3.725 3.679 3.823 . 0 0 "[ . 1 . 2]" 1
309 1 16 GLU HB2 1 17 SER H . . 3.850 3.222 3.182 3.236 . 0 0 "[ . 1 . 2]" 1
310 1 16 GLU HB2 1 17 SER HB3 . . 5.490 5.494 5.428 5.512 0.022 9 0 "[ . 1 . 2]" 1
311 1 16 GLU HB2 1 19 THR MG . . 5.410 4.358 4.246 4.431 . 0 0 "[ . 1 . 2]" 1
312 1 16 GLU HB3 1 16 GLU HG3 . . 2.880 3.008 2.996 3.017 0.137 4 0 "[ . 1 . 2]" 1
313 1 16 GLU HB3 1 17 SER H . . 4.090 4.169 4.143 4.193 0.103 12 0 "[ . 1 . 2]" 1
314 1 16 GLU HG2 1 17 SER H . . 4.700 4.805 4.769 4.831 0.131 19 0 "[ . 1 . 2]" 1
315 1 16 GLU HG3 1 17 SER H . . 5.500 4.362 4.282 4.440 . 0 0 "[ . 1 . 2]" 1
316 1 16 GLU HG3 1 19 THR MG . . 4.240 4.387 4.356 4.414 0.174 11 0 "[ . 1 . 2]" 1
317 1 17 SER H 1 17 SER HB2 . . 3.270 2.515 2.473 2.542 . 0 0 "[ . 1 . 2]" 1
318 1 17 SER H 1 17 SER HB3 . . 3.500 2.589 2.571 2.615 . 0 0 "[ . 1 . 2]" 1
319 1 17 SER H 1 18 PHE H . . 3.750 2.199 2.167 2.269 . 0 0 "[ . 1 . 2]" 1
320 1 17 SER H 1 18 PHE HB2 . . 5.250 4.238 4.145 4.298 . 0 0 "[ . 1 . 2]" 1
321 1 17 SER H 1 18 PHE HB3 . . 5.150 4.274 4.189 4.467 . 0 0 "[ . 1 . 2]" 1
322 1 17 SER H 1 18 PHE QD . . 5.500 5.785 5.754 5.811 0.311 12 0 "[ . 1 . 2]" 1
323 1 17 SER H 1 19 THR H . . 5.500 4.106 4.030 4.238 . 0 0 "[ . 1 . 2]" 1
324 1 17 SER H 1 19 THR MG . . 5.340 4.067 3.960 4.133 . 0 0 "[ . 1 . 2]" 1
325 1 17 SER H 1 20 SER H . . 5.400 4.602 4.543 4.635 . 0 0 "[ . 1 . 2]" 1
326 1 17 SER H 1 40 ILE MD . . 4.630 3.800 3.732 3.893 . 0 0 "[ . 1 . 2]" 1
327 1 17 SER HA 1 18 PHE HA . . 4.720 4.775 4.736 4.792 0.072 17 0 "[ . 1 . 2]" 1
328 1 17 SER HA 1 20 SER H . . 4.710 3.901 3.771 3.982 . 0 0 "[ . 1 . 2]" 1
329 1 17 SER HA 1 40 ILE MD . . 5.180 4.223 4.152 4.330 . 0 0 "[ . 1 . 2]" 1
330 1 17 SER HB2 1 18 PHE H . . 3.880 3.821 3.751 3.939 0.059 16 0 "[ . 1 . 2]" 1
331 1 17 SER HB2 1 40 ILE MD . . 3.750 3.371 3.313 3.405 . 0 0 "[ . 1 . 2]" 1
332 1 17 SER HB3 1 18 PHE H . . 3.830 2.782 2.662 2.952 . 0 0 "[ . 1 . 2]" 1
333 1 17 SER HB3 1 18 PHE HA . . 4.100 4.097 4.050 4.141 0.041 16 0 "[ . 1 . 2]" 1
334 1 17 SER HB3 1 21 LEU QD . . 5.040 5.081 5.056 5.097 0.057 4 0 "[ . 1 . 2]" 1
335 1 17 SER HB3 1 40 ILE MD . . 3.500 2.032 1.980 2.062 . 0 0 "[ . 1 . 2]" 1
336 1 18 PHE H 1 18 PHE HB2 . . 3.870 2.394 2.321 2.466 . 0 0 "[ . 1 . 2]" 1
337 1 18 PHE H 1 18 PHE HB3 . . 3.760 2.360 2.300 2.435 . 0 0 "[ . 1 . 2]" 1
338 1 18 PHE H 1 18 PHE QD . . 4.450 4.070 4.057 4.099 . 0 0 "[ . 1 . 2]" 1
339 1 18 PHE H 1 19 THR H . . 4.090 2.511 2.339 2.666 . 0 0 "[ . 1 . 2]" 1
340 1 18 PHE H 1 20 SER H . . 4.900 3.719 3.619 3.826 . 0 0 "[ . 1 . 2]" 1
341 1 18 PHE H 1 29 SER HB2 . . 4.900 4.934 4.493 5.174 0.274 16 0 "[ . 1 . 2]" 1
342 1 18 PHE H 1 33 LEU QD . . 4.830 4.213 4.083 4.402 . 0 0 "[ . 1 . 2]" 1
343 1 18 PHE H 1 40 ILE MD . . 4.070 3.019 2.843 3.296 . 0 0 "[ . 1 . 2]" 1
344 1 18 PHE HA 1 20 SER H . . 5.500 4.297 4.216 4.354 . 0 0 "[ . 1 . 2]" 1
345 1 18 PHE HA 1 21 LEU H . . 4.710 3.400 3.329 3.440 . 0 0 "[ . 1 . 2]" 1
346 1 18 PHE HA 1 21 LEU HB2 . . 4.640 3.883 3.813 3.997 . 0 0 "[ . 1 . 2]" 1
347 1 18 PHE HA 1 21 LEU HB3 . . 3.790 2.677 2.601 2.759 . 0 0 "[ . 1 . 2]" 1
348 1 18 PHE HA 1 21 LEU QD . . 4.210 3.409 3.329 3.506 . 0 0 "[ . 1 . 2]" 1
349 1 18 PHE HA 1 22 THR MG . . 5.170 3.215 3.099 3.321 . 0 0 "[ . 1 . 2]" 1
350 1 18 PHE HA 1 40 ILE MD . . 3.990 2.826 2.625 3.121 . 0 0 "[ . 1 . 2]" 1
351 1 18 PHE HA 1 44 LEU QD . . 4.300 2.966 2.710 3.280 . 0 0 "[ . 1 . 2]" 1
352 1 18 PHE HB2 1 19 THR H . . 4.470 3.465 3.439 3.500 . 0 0 "[ . 1 . 2]" 1
353 1 18 PHE HB2 1 19 THR HB . . 4.940 5.188 5.168 5.218 0.278 18 0 "[ . 1 . 2]" 1
354 1 18 PHE HB2 1 21 LEU H . . 5.500 5.537 5.507 5.579 0.079 14 0 "[ . 1 . 2]" 1
355 1 18 PHE HB2 1 29 SER HB2 . . 4.970 4.469 3.700 4.958 . 0 0 "[ . 1 . 2]" 1
356 1 18 PHE HB2 1 33 LEU QD . . 5.090 2.893 2.725 3.144 . 0 0 "[ . 1 . 2]" 1
357 1 18 PHE HB2 1 40 ILE MD . . 5.160 2.475 2.285 2.693 . 0 0 "[ . 1 . 2]" 1
358 1 18 PHE HB3 1 19 THR H . . 4.630 2.030 1.967 2.153 . 0 0 "[ . 1 . 2]" 1
359 1 18 PHE HB3 1 29 SER HA . . 4.860 4.272 3.836 4.458 . 0 0 "[ . 1 . 2]" 1
360 1 18 PHE HB3 1 29 SER HB2 . . 4.760 2.920 2.247 3.449 . 0 0 "[ . 1 . 2]" 1
361 1 18 PHE HB3 1 33 LEU QD . . 4.720 3.129 2.923 3.379 . 0 0 "[ . 1 . 2]" 1
362 1 18 PHE HB3 1 40 ILE MD . . 4.320 3.879 3.671 4.159 . 0 0 "[ . 1 . 2]" 1
363 1 18 PHE QD 1 19 THR H . . 4.870 3.001 2.786 3.471 . 0 0 "[ . 1 . 2]" 1
364 1 18 PHE QD 1 19 THR HA . . 4.670 2.922 2.741 3.411 . 0 0 "[ . 1 . 2]" 1
365 1 18 PHE QD 1 22 THR MG . . 3.930 3.214 2.957 3.331 . 0 0 "[ . 1 . 2]" 1
366 1 18 PHE QD 1 28 VAL QG . . 5.470 5.026 4.224 5.401 . 0 0 "[ . 1 . 2]" 1
367 1 18 PHE QD 1 29 SER H . . 4.990 4.229 4.105 4.331 . 0 0 "[ . 1 . 2]" 1
368 1 18 PHE QD 1 29 SER HA . . 4.520 2.748 2.371 3.035 . 0 0 "[ . 1 . 2]" 1
369 1 18 PHE QD 1 30 ARG H . . 5.400 5.374 5.036 5.465 0.065 1 0 "[ . 1 . 2]" 1
370 1 18 PHE QD 1 33 LEU QD . . 4.160 2.776 2.506 3.036 . 0 0 "[ . 1 . 2]" 1
371 1 18 PHE QD 1 33 LEU HG . . 5.270 4.342 3.768 5.076 . 0 0 "[ . 1 . 2]" 1
372 1 18 PHE QD 1 40 ILE HA . . 5.020 3.257 3.167 3.414 . 0 0 "[ . 1 . 2]" 1
373 1 18 PHE QD 1 40 ILE MD . . 4.090 3.010 2.798 3.095 . 0 0 "[ . 1 . 2]" 1
374 1 18 PHE QD 1 40 ILE HG12 . . 4.390 2.305 2.260 2.355 . 0 0 "[ . 1 . 2]" 1
375 1 18 PHE QD 1 40 ILE HG13 . . 5.000 2.087 2.018 2.152 . 0 0 "[ . 1 . 2]" 1
376 1 18 PHE QD 1 40 ILE MG . . 4.260 4.314 4.299 4.334 0.074 17 0 "[ . 1 . 2]" 1
377 1 18 PHE QD 1 43 ALA MB . . 4.030 3.309 3.153 3.478 . 0 0 "[ . 1 . 2]" 1
378 1 18 PHE QD 1 44 LEU H . . 5.390 4.607 4.503 4.834 . 0 0 "[ . 1 . 2]" 1
379 1 18 PHE QD 1 44 LEU QD . . 3.880 2.933 2.827 3.094 . 0 0 "[ . 1 . 2]" 1
380 1 18 PHE QD 1 44 LEU HG . . 5.320 2.710 2.539 3.027 . 0 0 "[ . 1 . 2]" 1
381 1 18 PHE QE 1 22 THR MG . . 4.040 2.905 2.666 3.094 . 0 0 "[ . 1 . 2]" 1
382 1 18 PHE QE 1 29 SER HA . . 4.140 2.555 2.219 2.950 . 0 0 "[ . 1 . 2]" 1
383 1 18 PHE QE 1 32 TYR HB2 . . 5.110 3.475 3.013 3.879 . 0 0 "[ . 1 . 2]" 1
384 1 18 PHE QE 1 33 LEU H . . 5.430 5.420 5.255 5.468 0.038 13 0 "[ . 1 . 2]" 1
385 1 18 PHE QE 1 33 LEU QD . . 4.140 3.322 2.929 3.669 . 0 0 "[ . 1 . 2]" 1
386 1 18 PHE QE 1 40 ILE MD . . 5.180 4.908 4.651 4.989 . 0 0 "[ . 1 . 2]" 1
387 1 18 PHE QE 1 40 ILE HG12 . . 3.980 3.930 3.551 4.006 0.026 10 0 "[ . 1 . 2]" 1
388 1 18 PHE QE 1 43 ALA MB . . 3.950 2.297 2.105 2.623 . 0 0 "[ . 1 . 2]" 1
389 1 18 PHE QE 1 44 LEU H . . 4.670 3.022 2.880 3.178 . 0 0 "[ . 1 . 2]" 1
390 1 18 PHE QE 1 44 LEU HA . . 3.850 2.586 2.327 2.859 . 0 0 "[ . 1 . 2]" 1
391 1 18 PHE QE 1 44 LEU QD . . 4.250 2.706 2.585 2.789 . 0 0 "[ . 1 . 2]" 1
392 1 18 PHE QE 1 47 TYR HB3 . . 5.130 3.816 3.718 3.936 . 0 0 "[ . 1 . 2]" 1
393 1 18 PHE QE 1 47 TYR QD . . 3.620 3.122 2.787 3.538 . 0 0 "[ . 1 . 2]" 1
394 1 18 PHE QE 1 47 TYR QE . . 4.130 3.748 3.534 4.091 . 0 0 "[ . 1 . 2]" 1
395 1 18 PHE HZ 1 22 THR MG . . 5.500 3.402 3.110 3.673 . 0 0 "[ . 1 . 2]" 1
396 1 18 PHE HZ 1 43 ALA MB . . 4.970 3.380 2.971 3.745 . 0 0 "[ . 1 . 2]" 1
397 1 18 PHE HZ 1 47 TYR H . . 4.230 3.828 3.513 4.208 . 0 0 "[ . 1 . 2]" 1
398 1 18 PHE HZ 1 47 TYR HB2 . . 3.750 2.210 2.146 2.305 . 0 0 "[ . 1 . 2]" 1
399 1 18 PHE HZ 1 47 TYR HB3 . . 3.960 2.755 2.544 2.930 . 0 0 "[ . 1 . 2]" 1
400 1 18 PHE HZ 1 47 TYR QD . . 4.040 3.291 3.056 3.613 . 0 0 "[ . 1 . 2]" 1
401 1 18 PHE HZ 1 48 TYR H . . 5.500 5.262 5.062 5.427 . 0 0 "[ . 1 . 2]" 1
402 1 19 THR H 1 19 THR HB . . 3.710 2.040 1.974 2.085 . 0 0 "[ . 1 . 2]" 1
403 1 19 THR H 1 19 THR MG . . 3.910 2.452 2.348 2.549 . 0 0 "[ . 1 . 2]" 1
404 1 19 THR H 1 20 SER H . . 3.710 2.945 2.888 3.044 . 0 0 "[ . 1 . 2]" 1
405 1 19 THR H 1 21 LEU H . . 5.500 4.189 4.132 4.391 . 0 0 "[ . 1 . 2]" 1
406 1 19 THR H 1 29 SER H . . 5.450 5.477 5.357 5.548 0.098 3 0 "[ . 1 . 2]" 1
407 1 19 THR H 1 40 ILE MD . . 5.500 4.901 4.713 5.141 . 0 0 "[ . 1 . 2]" 1
408 1 19 THR HA 1 19 THR MG . . 3.220 3.191 3.183 3.201 . 0 0 "[ . 1 . 2]" 1
409 1 19 THR HA 1 22 THR H . . 4.510 3.438 3.367 3.566 . 0 0 "[ . 1 . 2]" 1
410 1 19 THR HA 1 22 THR MG . . 5.220 4.037 3.928 4.218 . 0 0 "[ . 1 . 2]" 1
411 1 19 THR HA 1 23 LYS H . . 4.600 3.857 3.749 3.922 . 0 0 "[ . 1 . 2]" 1
412 1 19 THR HA 1 24 CYS H . . 4.010 3.159 3.050 3.300 . 0 0 "[ . 1 . 2]" 1
413 1 19 THR HB 1 20 SER H . . 3.930 3.939 3.918 3.950 0.020 9 0 "[ . 1 . 2]" 1
414 1 19 THR HB 1 29 SER HB2 . . 4.660 2.688 2.335 3.312 . 0 0 "[ . 1 . 2]" 1
415 1 19 THR MG 1 20 SER H . . 4.110 2.130 2.065 2.185 . 0 0 "[ . 1 . 2]" 1
416 1 19 THR MG 1 20 SER HA . . 4.700 3.377 3.321 3.416 . 0 0 "[ . 1 . 2]" 1
417 1 19 THR MG 1 20 SER HB2 . . 5.240 3.631 3.425 4.490 . 0 0 "[ . 1 . 2]" 1
418 1 19 THR MG 1 20 SER HB3 . . 5.240 4.336 3.074 4.521 . 0 0 "[ . 1 . 2]" 1
419 1 19 THR MG 1 22 THR H . . 5.500 4.853 4.815 4.905 . 0 0 "[ . 1 . 2]" 1
420 1 19 THR MG 1 22 THR MG . . 5.500 5.577 5.545 5.604 0.104 16 0 "[ . 1 . 2]" 1
421 1 19 THR MG 1 23 LYS H . . 4.880 4.913 4.884 4.932 0.052 8 0 "[ . 1 . 2]" 1
422 1 19 THR MG 1 25 ASP HA . . 5.190 4.880 4.703 5.070 . 0 0 "[ . 1 . 2]" 1
423 1 19 THR MG 1 26 PRO HA . . 4.580 3.134 2.940 3.332 . 0 0 "[ . 1 . 2]" 1
424 1 19 THR MG 1 26 PRO HB3 . . 4.800 3.243 2.345 3.583 . 0 0 "[ . 1 . 2]" 1
425 1 20 SER H 1 20 SER HB2 . . 3.180 2.280 2.114 3.476 0.296 14 0 "[ . 1 . 2]" 1
426 1 20 SER H 1 20 SER HB3 . . 3.160 3.339 2.421 3.460 0.300 13 0 "[ . 1 . 2]" 1
427 1 20 SER H 1 21 LEU H . . 3.580 2.420 2.388 2.454 . 0 0 "[ . 1 . 2]" 1
428 1 20 SER H 1 21 LEU HB2 . . 5.500 4.719 4.694 4.763 . 0 0 "[ . 1 . 2]" 1
429 1 20 SER H 1 22 THR H . . 5.200 3.860 3.782 3.925 . 0 0 "[ . 1 . 2]" 1
430 1 20 SER H 1 22 THR MG . . 5.500 5.149 5.081 5.187 . 0 0 "[ . 1 . 2]" 1
431 1 20 SER HA 1 23 LYS QD . . 4.290 3.537 3.422 3.792 . 0 0 "[ . 1 . 2]" 1
432 1 20 SER HB2 1 21 LEU H . . 3.670 2.999 2.848 3.677 0.007 14 0 "[ . 1 . 2]" 1
433 1 20 SER HB2 1 21 LEU HB2 . . 4.840 4.344 4.195 4.908 0.068 14 0 "[ . 1 . 2]" 1
434 1 20 SER HB3 1 21 LEU H . . 3.640 3.707 3.681 3.792 0.152 9 0 "[ . 1 . 2]" 1
435 1 20 SER HB3 1 22 THR H . . 5.500 5.371 5.227 5.509 0.009 14 0 "[ . 1 . 2]" 1
436 1 20 SER HB3 1 23 LYS H . . 5.500 5.366 5.257 5.556 0.056 9 0 "[ . 1 . 2]" 1
437 1 21 LEU H 1 21 LEU HB2 . . 3.420 2.597 2.484 2.635 . 0 0 "[ . 1 . 2]" 1
438 1 21 LEU H 1 21 LEU HB3 . . 3.380 2.347 2.322 2.374 . 0 0 "[ . 1 . 2]" 1
439 1 21 LEU H 1 21 LEU QD . . 4.070 3.705 3.665 3.727 . 0 0 "[ . 1 . 2]" 1
440 1 21 LEU H 1 22 THR H . . 3.690 2.426 2.344 2.585 . 0 0 "[ . 1 . 2]" 1
441 1 21 LEU H 1 22 THR MG . . 4.840 3.746 3.678 3.846 . 0 0 "[ . 1 . 2]" 1
442 1 21 LEU H 1 23 LYS H . . 4.750 3.738 3.626 3.892 . 0 0 "[ . 1 . 2]" 1
443 1 21 LEU HA 1 21 LEU QD . . 3.520 2.143 2.066 3.105 . 0 0 "[ . 1 . 2]" 1
444 1 21 LEU HA 1 21 LEU HG . . 3.820 3.188 2.477 3.251 . 0 0 "[ . 1 . 2]" 1
445 1 21 LEU HA 1 22 THR HA . . 4.890 4.579 4.543 4.600 . 0 0 "[ . 1 . 2]" 1
446 1 21 LEU HA 1 23 LYS H . . 4.890 4.187 4.077 4.281 . 0 0 "[ . 1 . 2]" 1
447 1 21 LEU HA 1 23 LYS QD . . 4.380 4.259 4.129 4.390 0.010 9 0 "[ . 1 . 2]" 1
448 1 21 LEU HA 1 23 LYS HE2 . . 3.850 3.302 2.413 3.895 0.045 9 0 "[ . 1 . 2]" 1
449 1 21 LEU HA 1 23 LYS HE3 . . 3.850 3.389 2.916 3.964 0.114 15 0 "[ . 1 . 2]" 1
450 1 21 LEU HB2 1 22 THR H . . 4.280 4.203 4.128 4.268 . 0 0 "[ . 1 . 2]" 1
451 1 21 LEU HB2 1 22 THR MG . . 4.350 4.349 4.282 4.395 0.045 15 0 "[ . 1 . 2]" 1
452 1 21 LEU HB2 1 44 LEU QD . . 4.980 4.053 3.939 4.185 . 0 0 "[ . 1 . 2]" 1
453 1 21 LEU HB3 1 22 THR H . . 3.990 3.164 3.021 3.299 . 0 0 "[ . 1 . 2]" 1
454 1 21 LEU HB3 1 22 THR MG . . 3.890 2.827 2.755 2.859 . 0 0 "[ . 1 . 2]" 1
455 1 21 LEU HB3 1 23 LYS H . . 5.490 5.004 4.883 5.102 . 0 0 "[ . 1 . 2]" 1
456 1 21 LEU HB3 1 44 LEU QD . . 4.560 3.035 2.919 3.163 . 0 0 "[ . 1 . 2]" 1
457 1 21 LEU QD 1 22 THR H . . 4.730 4.185 3.568 4.263 . 0 0 "[ . 1 . 2]" 1
458 1 21 LEU QD 1 22 THR HA . . 4.460 4.402 3.263 4.480 0.020 9 0 "[ . 1 . 2]" 1
459 1 21 LEU QD 1 22 THR MG . . 3.920 3.340 2.215 3.493 . 0 0 "[ . 1 . 2]" 1
460 1 21 LEU QD 1 44 LEU QD . . 3.170 1.927 1.864 1.980 . 0 0 "[ . 1 . 2]" 1
461 1 21 LEU QD 1 48 TYR QE . . 4.100 4.070 3.442 4.120 0.020 4 0 "[ . 1 . 2]" 1
462 1 21 LEU HG 1 22 THR H . . 5.070 4.307 4.170 4.815 . 0 0 "[ . 1 . 2]" 1
463 1 21 LEU HG 1 22 THR HA . . 5.000 4.260 4.117 5.005 0.005 16 0 "[ . 1 . 2]" 1
464 1 21 LEU HG 1 22 THR MG . . 4.960 3.212 3.035 4.314 . 0 0 "[ . 1 . 2]" 1
465 1 21 LEU HG 1 44 LEU QD . . 5.150 3.020 2.791 4.112 . 0 0 "[ . 1 . 2]" 1
466 1 22 THR H 1 22 THR MG . . 3.620 2.565 2.466 2.676 . 0 0 "[ . 1 . 2]" 1
467 1 22 THR H 1 23 LYS H . . 3.880 2.009 1.943 2.085 . 0 0 "[ . 1 . 2]" 1
468 1 22 THR H 1 23 LYS HA . . 4.770 4.245 4.173 4.329 . 0 0 "[ . 1 . 2]" 1
469 1 22 THR H 1 23 LYS HG3 . . 5.500 5.532 5.517 5.556 0.056 16 0 "[ . 1 . 2]" 1
470 1 22 THR H 1 24 CYS H . . 4.680 3.692 3.638 3.740 . 0 0 "[ . 1 . 2]" 1
471 1 22 THR H 1 44 LEU QD . . 5.500 4.442 4.263 4.667 . 0 0 "[ . 1 . 2]" 1
472 1 22 THR HA 1 22 THR MG . . 3.750 2.486 2.427 2.517 . 0 0 "[ . 1 . 2]" 1
473 1 22 THR HA 1 23 LYS HG3 . . 4.070 4.283 4.254 4.306 0.236 3 0 "[ . 1 . 2]" 1
474 1 22 THR HA 1 44 LEU QD . . 5.080 4.463 4.300 4.579 . 0 0 "[ . 1 . 2]" 1
475 1 22 THR HB 1 23 LYS H . . 4.930 4.327 4.278 4.367 . 0 0 "[ . 1 . 2]" 1
476 1 22 THR HB 1 24 CYS H . . 4.300 3.761 3.613 3.856 . 0 0 "[ . 1 . 2]" 1
477 1 22 THR HB 1 47 TYR QE . . 3.710 2.820 2.540 3.200 . 0 0 "[ . 1 . 2]" 1
478 1 22 THR MG 1 23 LYS H . . 4.550 4.064 4.024 4.111 . 0 0 "[ . 1 . 2]" 1
479 1 22 THR MG 1 24 CYS H . . 4.400 4.452 4.424 4.484 0.084 14 0 "[ . 1 . 2]" 1
480 1 22 THR MG 1 44 LEU HA . . 5.270 3.795 3.657 3.941 . 0 0 "[ . 1 . 2]" 1
481 1 22 THR MG 1 44 LEU QD . . 3.620 2.063 1.932 2.268 . 0 0 "[ . 1 . 2]" 1
482 1 22 THR MG 1 47 TYR QD . . 4.220 3.362 3.218 3.469 . 0 0 "[ . 1 . 2]" 1
483 1 22 THR MG 1 47 TYR QE . . 3.720 3.633 3.313 3.744 0.024 3 0 "[ . 1 . 2]" 1
484 1 22 THR MG 1 48 TYR QE . . 3.550 2.630 2.216 2.845 . 0 0 "[ . 1 . 2]" 1
485 1 23 LYS H 1 23 LYS QD . . 3.900 2.782 2.649 3.031 . 0 0 "[ . 1 . 2]" 1
486 1 23 LYS H 1 23 LYS HG2 . . 4.750 2.651 2.602 2.679 . 0 0 "[ . 1 . 2]" 1
487 1 23 LYS H 1 23 LYS HG3 . . 4.640 4.172 4.149 4.186 . 0 0 "[ . 1 . 2]" 1
488 1 23 LYS H 1 24 CYS H . . 3.740 2.737 2.694 2.774 . 0 0 "[ . 1 . 2]" 1
489 1 23 LYS H 1 24 CYS HA . . 5.500 5.382 5.362 5.401 . 0 0 "[ . 1 . 2]" 1
490 1 23 LYS HA 1 23 LYS QD . . 3.460 2.248 2.225 2.272 . 0 0 "[ . 1 . 2]" 1
491 1 23 LYS HA 1 24 CYS H . . 3.510 3.163 3.138 3.194 . 0 0 "[ . 1 . 2]" 1
492 1 23 LYS HB2 1 24 CYS H . . 5.150 3.870 3.827 3.908 . 0 0 "[ . 1 . 2]" 1
493 1 23 LYS HB3 1 23 LYS HE3 . . 5.090 4.583 4.493 4.646 . 0 0 "[ . 1 . 2]" 1
494 1 23 LYS HB3 1 24 CYS H . . 5.040 4.575 4.561 4.589 . 0 0 "[ . 1 . 2]" 1
495 1 23 LYS QD 1 24 CYS H . . 5.350 4.793 4.735 4.924 . 0 0 "[ . 1 . 2]" 1
496 1 23 LYS HE2 1 23 LYS HG2 . . 4.140 3.132 2.354 3.636 . 0 0 "[ . 1 . 2]" 1
497 1 23 LYS HE2 1 23 LYS HG3 . . 4.240 3.580 3.229 3.823 . 0 0 "[ . 1 . 2]" 1
498 1 23 LYS HE3 1 23 LYS HG3 . . 4.160 2.866 2.571 3.073 . 0 0 "[ . 1 . 2]" 1
499 1 24 CYS H 1 24 CYS HB2 . . 4.080 3.299 2.494 3.657 . 0 0 "[ . 1 . 2]" 1
500 1 24 CYS H 1 24 CYS HB3 . . 3.530 2.612 2.569 2.670 . 0 0 "[ . 1 . 2]" 1
501 1 24 CYS H 1 25 ASP H . . 4.560 4.448 4.376 4.525 . 0 0 "[ . 1 . 2]" 1
502 1 24 CYS H 1 47 TYR QE . . 5.190 5.163 5.054 5.239 0.049 11 0 "[ . 1 . 2]" 1
503 1 24 CYS HA 1 25 ASP H . . 3.330 2.720 2.617 2.823 . 0 0 "[ . 1 . 2]" 1
504 1 24 CYS HA 1 25 ASP HA . . 4.630 4.403 4.370 4.432 . 0 0 "[ . 1 . 2]" 1
505 1 24 CYS HA 1 28 VAL QG . . 5.130 4.382 3.994 4.708 . 0 0 "[ . 1 . 2]" 1
506 1 24 CYS HB2 1 25 ASP H . . 3.880 2.556 1.959 3.725 . 0 0 "[ . 1 . 2]" 1
507 1 24 CYS HB2 1 28 VAL QG . . 4.520 3.075 2.113 4.116 . 0 0 "[ . 1 . 2]" 1
508 1 24 CYS HB3 1 25 ASP H . . 3.700 3.386 2.728 3.689 . 0 0 "[ . 1 . 2]" 1
509 1 24 CYS HB3 1 28 VAL QG . . 5.260 3.568 3.159 3.910 . 0 0 "[ . 1 . 2]" 1
510 1 24 CYS HB3 1 47 TYR QE . . 3.950 3.495 3.210 3.883 . 0 0 "[ . 1 . 2]" 1
511 1 25 ASP H 1 25 ASP HB2 . . 3.520 2.615 2.315 2.737 . 0 0 "[ . 1 . 2]" 1
512 1 25 ASP H 1 25 ASP HB3 . . 3.560 2.601 2.383 3.570 0.010 8 0 "[ . 1 . 2]" 1
513 1 25 ASP H 1 26 PRO HD2 . . 5.430 5.234 4.807 5.340 . 0 0 "[ . 1 . 2]" 1
514 1 25 ASP H 1 26 PRO HD3 . . 4.980 4.787 4.710 5.046 0.066 8 0 "[ . 1 . 2]" 1
515 1 25 ASP H 1 28 VAL H . . 5.040 4.009 3.820 4.203 . 0 0 "[ . 1 . 2]" 1
516 1 25 ASP H 1 28 VAL QG . . 3.920 2.799 2.296 3.022 . 0 0 "[ . 1 . 2]" 1
517 1 25 ASP H 1 47 TYR QE . . 5.500 5.504 5.256 5.538 0.038 10 0 "[ . 1 . 2]" 1
518 1 25 ASP HA 1 26 PRO HD2 . . 4.000 2.791 2.286 2.920 . 0 0 "[ . 1 . 2]" 1
519 1 25 ASP HA 1 26 PRO HD3 . . 3.950 2.005 1.913 2.378 . 0 0 "[ . 1 . 2]" 1
520 1 25 ASP HA 1 26 PRO HG2 . . 4.920 4.557 4.468 4.586 . 0 0 "[ . 1 . 2]" 1
521 1 25 ASP HA 1 26 PRO HG3 . . 4.870 4.172 4.036 4.529 . 0 0 "[ . 1 . 2]" 1
522 1 25 ASP HA 1 27 LYS H . . 4.840 4.094 3.916 4.210 . 0 0 "[ . 1 . 2]" 1
523 1 25 ASP HB2 1 26 PRO HD2 . . 4.880 4.097 3.700 4.237 . 0 0 "[ . 1 . 2]" 1
524 1 25 ASP HB2 1 26 PRO HD3 . . 5.100 4.231 4.047 4.746 . 0 0 "[ . 1 . 2]" 1
525 1 25 ASP HB2 1 27 LYS H . . 4.880 4.328 3.152 4.598 . 0 0 "[ . 1 . 2]" 1
526 1 25 ASP HB2 1 28 VAL H . . 5.110 4.546 3.099 4.952 . 0 0 "[ . 1 . 2]" 1
527 1 25 ASP HB2 1 28 VAL QG . . 3.850 3.353 2.103 3.876 0.026 3 0 "[ . 1 . 2]" 1
528 1 25 ASP HB3 1 26 PRO HD2 . . 4.920 3.876 2.116 4.241 . 0 0 "[ . 1 . 2]" 1
529 1 25 ASP HB3 1 26 PRO HD3 . . 4.930 4.351 3.273 4.920 . 0 0 "[ . 1 . 2]" 1
530 1 25 ASP HB3 1 27 LYS H . . 4.510 3.203 2.514 3.492 . 0 0 "[ . 1 . 2]" 1
531 1 25 ASP HB3 1 28 VAL H . . 4.530 3.233 2.814 3.730 . 0 0 "[ . 1 . 2]" 1
532 1 25 ASP HB3 1 28 VAL QG . . 3.360 2.379 2.095 3.362 0.002 19 0 "[ . 1 . 2]" 1
533 1 25 ASP HB3 1 29 SER H . . 5.220 5.046 4.737 5.316 0.096 19 0 "[ . 1 . 2]" 1
534 1 26 PRO HA 1 28 VAL H . . 5.000 3.915 3.675 4.295 . 0 0 "[ . 1 . 2]" 1
535 1 26 PRO HA 1 29 SER H . . 4.050 3.365 3.076 3.594 . 0 0 "[ . 1 . 2]" 1
536 1 26 PRO HA 1 29 SER HB2 . . 4.510 3.610 2.688 4.529 0.019 17 0 "[ . 1 . 2]" 1
537 1 26 PRO HA 1 29 SER HB3 . . 4.190 3.227 2.749 4.265 0.075 18 0 "[ . 1 . 2]" 1
538 1 26 PRO HA 1 30 ARG H . . 5.170 4.225 4.073 4.360 . 0 0 "[ . 1 . 2]" 1
539 1 26 PRO HB2 1 27 LYS H . . 4.540 3.223 2.971 4.039 . 0 0 "[ . 1 . 2]" 1
540 1 26 PRO HB3 1 27 LYS H . . 4.590 4.340 4.246 4.519 . 0 0 "[ . 1 . 2]" 1
541 1 26 PRO HD2 1 27 LYS H . . 5.180 2.951 2.718 3.097 . 0 0 "[ . 1 . 2]" 1
542 1 26 PRO HD2 1 28 VAL H . . 5.500 4.829 4.455 5.022 . 0 0 "[ . 1 . 2]" 1
543 1 26 PRO HD3 1 27 LYS H . . 4.640 4.075 3.896 4.207 . 0 0 "[ . 1 . 2]" 1
544 1 26 PRO HG2 1 27 LYS H . . 5.080 4.364 2.582 4.843 . 0 0 "[ . 1 . 2]" 1
545 1 27 LYS H 1 27 LYS HB2 . . 3.580 2.823 2.292 3.675 0.095 14 0 "[ . 1 . 2]" 1
546 1 27 LYS H 1 27 LYS HB3 . . 3.710 3.315 2.525 3.679 . 0 0 "[ . 1 . 2]" 1
547 1 27 LYS H 1 27 LYS QD . . 4.320 4.027 3.322 4.355 0.035 12 0 "[ . 1 . 2]" 1
548 1 27 LYS H 1 27 LYS QE . . 4.410 3.907 2.993 4.474 0.064 19 0 "[ . 1 . 2]" 1
549 1 27 LYS H 1 27 LYS HG2 . . 3.930 2.690 1.912 3.478 . 0 0 "[ . 1 . 2]" 1
550 1 27 LYS H 1 27 LYS HG3 . . 4.220 2.947 2.208 3.819 . 0 0 "[ . 1 . 2]" 1
551 1 27 LYS H 1 28 VAL H . . 3.550 2.389 2.140 2.525 . 0 0 "[ . 1 . 2]" 1
552 1 27 LYS H 1 28 VAL HA . . 5.110 5.046 4.848 5.132 0.022 3 0 "[ . 1 . 2]" 1
553 1 27 LYS H 1 28 VAL HB . . 5.500 4.702 4.440 4.857 . 0 0 "[ . 1 . 2]" 1
554 1 27 LYS H 1 28 VAL QG . . 4.250 3.619 3.355 4.061 . 0 0 "[ . 1 . 2]" 1
555 1 27 LYS H 1 29 SER H . . 4.440 4.040 3.796 4.199 . 0 0 "[ . 1 . 2]" 1
556 1 27 LYS HA 1 27 LYS QD . . 4.700 3.714 2.154 4.551 . 0 0 "[ . 1 . 2]" 1
557 1 27 LYS HA 1 27 LYS QE . . 4.620 3.847 1.779 4.541 . 0 0 "[ . 1 . 2]" 1
558 1 27 LYS HA 1 27 LYS HG2 . . 4.200 2.990 2.233 3.824 . 0 0 "[ . 1 . 2]" 1
559 1 27 LYS HA 1 27 LYS HG3 . . 4.080 3.500 3.033 3.851 . 0 0 "[ . 1 . 2]" 1
560 1 27 LYS HA 1 28 VAL QG . . 5.090 4.621 4.480 4.974 . 0 0 "[ . 1 . 2]" 1
561 1 27 LYS HA 1 30 ARG H . . 4.240 3.443 3.218 3.839 . 0 0 "[ . 1 . 2]" 1
562 1 27 LYS HA 1 30 ARG HB2 . . 4.850 3.198 2.841 4.954 0.104 4 0 "[ . 1 . 2]" 1
563 1 27 LYS HA 1 30 ARG HD2 . . 4.930 3.449 2.615 3.810 . 0 0 "[ . 1 . 2]" 1
564 1 27 LYS HA 1 30 ARG HD3 . . 4.920 3.237 2.881 3.918 . 0 0 "[ . 1 . 2]" 1
565 1 27 LYS HA 1 30 ARG HG3 . . 4.850 4.823 3.813 4.982 0.132 3 0 "[ . 1 . 2]" 1
566 1 27 LYS HA 1 31 LYS H . . 4.850 4.330 3.908 4.759 . 0 0 "[ . 1 . 2]" 1
567 1 27 LYS HB2 1 27 LYS QE . . 3.880 2.600 1.979 3.753 . 0 0 "[ . 1 . 2]" 1
568 1 27 LYS HB2 1 28 VAL H . . 4.290 3.539 2.819 4.343 0.053 4 0 "[ . 1 . 2]" 1
569 1 27 LYS HB2 1 28 VAL QG . . 4.370 3.672 3.275 4.403 0.033 6 0 "[ . 1 . 2]" 1
570 1 27 LYS HB3 1 27 LYS QE . . 5.040 2.489 1.948 3.392 . 0 0 "[ . 1 . 2]" 1
571 1 27 LYS HB3 1 28 VAL H . . 4.380 4.178 3.673 4.347 . 0 0 "[ . 1 . 2]" 1
572 1 27 LYS HB3 1 28 VAL QG . . 4.590 4.437 4.261 4.719 0.129 3 0 "[ . 1 . 2]" 1
573 1 27 LYS QE 1 27 LYS HG2 . . 3.420 3.118 2.261 3.497 0.077 13 0 "[ . 1 . 2]" 1
574 1 27 LYS QE 1 27 LYS HG3 . . 3.450 2.878 2.361 3.500 0.050 6 0 "[ . 1 . 2]" 1
575 1 27 LYS QE 1 28 VAL QG . . 5.500 4.649 3.912 5.480 . 0 0 "[ . 1 . 2]" 1
576 1 27 LYS HG2 1 28 VAL H . . 4.720 4.232 2.809 4.943 0.223 3 0 "[ . 1 . 2]" 1
577 1 27 LYS HG3 1 28 VAL H . . 5.500 4.274 3.026 5.449 . 0 0 "[ . 1 . 2]" 1
578 1 28 VAL H 1 28 VAL HB . . 3.520 2.543 2.506 2.617 . 0 0 "[ . 1 . 2]" 1
579 1 28 VAL H 1 28 VAL QG . . 3.180 2.308 2.186 2.415 . 0 0 "[ . 1 . 2]" 1
580 1 28 VAL H 1 29 SER H . . 3.640 2.291 2.077 2.411 . 0 0 "[ . 1 . 2]" 1
581 1 28 VAL H 1 29 SER HA . . 5.250 4.982 4.775 5.099 . 0 0 "[ . 1 . 2]" 1
582 1 28 VAL HA 1 28 VAL QG . . 3.130 2.106 2.096 2.115 . 0 0 "[ . 1 . 2]" 1
583 1 28 VAL HA 1 30 ARG H . . 5.480 4.322 3.903 4.540 . 0 0 "[ . 1 . 2]" 1
584 1 28 VAL HA 1 31 LYS H . . 4.050 3.119 2.905 3.348 . 0 0 "[ . 1 . 2]" 1
585 1 28 VAL HA 1 31 LYS QB . . 3.770 2.756 2.402 2.984 . 0 0 "[ . 1 . 2]" 1
586 1 28 VAL HA 1 31 LYS HD2 . . 4.910 4.835 4.611 4.953 0.043 14 0 "[ . 1 . 2]" 1
587 1 28 VAL HA 1 31 LYS HD3 . . 4.770 4.337 2.937 4.805 0.035 18 0 "[ . 1 . 2]" 1
588 1 28 VAL HA 1 31 LYS HE2 . . 4.870 3.080 2.432 4.883 0.013 16 0 "[ . 1 . 2]" 1
589 1 28 VAL HA 1 31 LYS HE3 . . 4.800 3.100 2.432 4.427 . 0 0 "[ . 1 . 2]" 1
590 1 28 VAL HA 1 31 LYS HG3 . . 5.060 3.735 3.526 4.009 . 0 0 "[ . 1 . 2]" 1
591 1 28 VAL HA 1 32 TYR H . . 5.190 4.458 4.063 4.655 . 0 0 "[ . 1 . 2]" 1
592 1 28 VAL HB 1 29 SER H . . 4.030 2.840 2.682 4.096 0.066 3 0 "[ . 1 . 2]" 1
593 1 28 VAL HB 1 47 TYR QE . . 3.900 3.940 3.919 4.019 0.119 3 0 "[ . 1 . 2]" 1
594 1 28 VAL QG 1 29 SER H . . 3.920 3.312 2.535 3.396 . 0 0 "[ . 1 . 2]" 1
595 1 28 VAL QG 1 29 SER HA . . 4.580 3.752 3.412 3.907 . 0 0 "[ . 1 . 2]" 1
596 1 28 VAL QG 1 30 ARG H . . 5.500 4.642 4.397 4.816 . 0 0 "[ . 1 . 2]" 1
597 1 28 VAL QG 1 31 LYS H . . 4.510 4.131 3.891 4.299 . 0 0 "[ . 1 . 2]" 1
598 1 28 VAL QG 1 31 LYS QB . . 4.370 3.398 3.043 3.528 . 0 0 "[ . 1 . 2]" 1
599 1 28 VAL QG 1 31 LYS HD3 . . 5.070 4.563 3.479 5.079 0.009 3 0 "[ . 1 . 2]" 1
600 1 28 VAL QG 1 31 LYS HE3 . . 5.120 3.293 2.492 4.363 . 0 0 "[ . 1 . 2]" 1
601 1 28 VAL QG 1 32 TYR H . . 5.070 4.257 4.046 4.311 . 0 0 "[ . 1 . 2]" 1
602 1 28 VAL QG 1 32 TYR QD . . 3.480 2.695 2.508 3.002 . 0 0 "[ . 1 . 2]" 1
603 1 28 VAL QG 1 32 TYR QE . . 3.040 2.481 2.223 2.700 . 0 0 "[ . 1 . 2]" 1
604 1 28 VAL QG 1 47 TYR QD . . 4.140 3.200 2.670 3.383 . 0 0 "[ . 1 . 2]" 1
605 1 28 VAL QG 1 47 TYR QE . . 3.210 2.225 1.869 2.401 . 0 0 "[ . 1 . 2]" 1
606 1 29 SER H 1 29 SER HB2 . . 4.150 2.837 2.537 3.533 . 0 0 "[ . 1 . 2]" 1
607 1 29 SER H 1 29 SER HB3 . . 4.030 2.598 2.203 3.615 . 0 0 "[ . 1 . 2]" 1
608 1 29 SER HA 1 32 TYR H . . 4.780 3.649 3.349 3.890 . 0 0 "[ . 1 . 2]" 1
609 1 29 SER HB2 1 30 ARG H . . 4.250 3.494 2.388 3.827 . 0 0 "[ . 1 . 2]" 1
610 1 29 SER HB2 1 33 LEU QD . . 5.300 3.579 2.681 4.084 . 0 0 "[ . 1 . 2]" 1
611 1 29 SER HB3 1 30 ARG H . . 4.050 2.801 2.103 3.631 . 0 0 "[ . 1 . 2]" 1
612 1 29 SER HB3 1 30 ARG HB2 . . 4.830 4.604 4.025 5.166 0.336 12 0 "[ . 1 . 2]" 1
613 1 30 ARG H 1 30 ARG HB2 . . 3.580 2.392 2.039 3.483 . 0 0 "[ . 1 . 2]" 1
614 1 30 ARG H 1 30 ARG HD2 . . 4.830 4.542 4.333 4.786 . 0 0 "[ . 1 . 2]" 1
615 1 30 ARG H 1 30 ARG HD3 . . 5.040 4.802 4.664 5.010 . 0 0 "[ . 1 . 2]" 1
616 1 30 ARG H 1 30 ARG HG2 . . 4.680 4.164 2.313 4.435 . 0 0 "[ . 1 . 2]" 1
617 1 30 ARG H 1 30 ARG HG3 . . 4.900 4.227 3.565 4.405 . 0 0 "[ . 1 . 2]" 1
618 1 30 ARG H 1 31 LYS H . . 4.020 2.943 2.758 3.061 . 0 0 "[ . 1 . 2]" 1
619 1 30 ARG H 1 31 LYS HA . . 5.500 5.448 5.295 5.547 0.047 11 0 "[ . 1 . 2]" 1
620 1 30 ARG H 1 33 LEU QD . . 5.380 3.763 3.644 3.981 . 0 0 "[ . 1 . 2]" 1
621 1 30 ARG HA 1 30 ARG HD3 . . 4.960 4.724 4.681 4.768 . 0 0 "[ . 1 . 2]" 1
622 1 30 ARG HA 1 33 LEU H . . 4.360 3.436 3.203 3.616 . 0 0 "[ . 1 . 2]" 1
623 1 30 ARG HA 1 33 LEU HB2 . . 4.150 2.444 2.146 2.643 . 0 0 "[ . 1 . 2]" 1
624 1 30 ARG HA 1 33 LEU QD . . 4.480 2.754 2.430 2.983 . 0 0 "[ . 1 . 2]" 1
625 1 30 ARG HA 1 33 LEU HG . . 5.130 4.610 3.847 5.221 0.091 13 0 "[ . 1 . 2]" 1
626 1 30 ARG HA 1 34 GLN H . . 4.560 3.968 3.705 4.235 . 0 0 "[ . 1 . 2]" 1
627 1 30 ARG HA 1 34 GLN HE22 . . 5.310 5.118 4.471 5.321 0.011 14 0 "[ . 1 . 2]" 1
628 1 30 ARG HA 1 34 GLN HG3 . . 4.820 3.628 3.468 3.767 . 0 0 "[ . 1 . 2]" 1
629 1 30 ARG HB2 1 30 ARG HD2 . . 4.030 2.471 2.212 3.719 . 0 0 "[ . 1 . 2]" 1
630 1 30 ARG HB2 1 30 ARG HE . . 5.500 4.468 3.407 4.766 . 0 0 "[ . 1 . 2]" 1
631 1 30 ARG HB3 1 30 ARG HD2 . . 4.030 3.108 2.903 3.709 . 0 0 "[ . 1 . 2]" 1
632 1 30 ARG HB3 1 30 ARG HE . . 5.500 4.420 2.163 4.914 . 0 0 "[ . 1 . 2]" 1
633 1 30 ARG HD2 1 34 GLN HE21 . . 5.040 4.404 4.057 5.096 0.056 16 0 "[ . 1 . 2]" 1
634 1 30 ARG HD3 1 34 GLN HE21 . . 5.170 4.088 3.472 4.512 . 0 0 "[ . 1 . 2]" 1
635 1 30 ARG HG2 1 31 LYS H . . 5.500 3.487 2.425 4.297 . 0 0 "[ . 1 . 2]" 1
636 1 30 ARG HG3 1 31 LYS H . . 5.370 4.368 2.627 4.876 . 0 0 "[ . 1 . 2]" 1
637 1 30 ARG HG3 1 31 LYS HA . . 4.790 4.726 3.435 4.927 0.137 5 0 "[ . 1 . 2]" 1
638 1 30 ARG HG3 1 34 GLN HE21 . . 5.370 2.326 1.869 3.337 . 0 0 "[ . 1 . 2]" 1
639 1 31 LYS H 1 31 LYS QB . . 3.300 2.342 2.265 2.429 . 0 0 "[ . 1 . 2]" 1
640 1 31 LYS H 1 31 LYS HD2 . . 5.100 4.823 4.520 5.090 . 0 0 "[ . 1 . 2]" 1
641 1 31 LYS H 1 31 LYS HD3 . . 5.020 4.504 3.672 5.050 0.030 1 0 "[ . 1 . 2]" 1
642 1 31 LYS H 1 31 LYS HE3 . . 4.760 4.153 3.871 4.807 0.047 10 0 "[ . 1 . 2]" 1
643 1 31 LYS H 1 31 LYS HG2 . . 4.320 3.636 3.436 4.041 . 0 0 "[ . 1 . 2]" 1
644 1 31 LYS H 1 31 LYS HG3 . . 4.750 2.424 2.227 2.825 . 0 0 "[ . 1 . 2]" 1
645 1 31 LYS H 1 32 TYR H . . 4.020 2.663 2.255 2.875 . 0 0 "[ . 1 . 2]" 1
646 1 31 LYS H 1 32 TYR HA . . 5.500 5.301 4.990 5.450 . 0 0 "[ . 1 . 2]" 1
647 1 31 LYS H 1 32 TYR HB2 . . 5.310 4.726 4.287 4.968 . 0 0 "[ . 1 . 2]" 1
648 1 31 LYS H 1 32 TYR QD . . 5.000 3.975 3.647 4.249 . 0 0 "[ . 1 . 2]" 1
649 1 31 LYS H 1 33 LEU H . . 4.910 3.948 3.554 4.150 . 0 0 "[ . 1 . 2]" 1
650 1 31 LYS H 1 34 GLN H . . 5.500 4.794 4.540 4.945 . 0 0 "[ . 1 . 2]" 1
651 1 31 LYS H 1 34 GLN HE21 . . 4.930 4.889 3.873 5.043 0.113 11 0 "[ . 1 . 2]" 1
652 1 31 LYS HA 1 31 LYS HD2 . . 4.960 4.428 4.214 4.772 . 0 0 "[ . 1 . 2]" 1
653 1 31 LYS HA 1 31 LYS HD3 . . 4.990 4.702 4.591 4.760 . 0 0 "[ . 1 . 2]" 1
654 1 31 LYS HA 1 31 LYS HE3 . . 4.870 4.678 4.378 4.794 . 0 0 "[ . 1 . 2]" 1
655 1 31 LYS HA 1 31 LYS HG2 . . 4.030 2.458 2.378 2.556 . 0 0 "[ . 1 . 2]" 1
656 1 31 LYS HA 1 31 LYS HG3 . . 4.230 2.939 2.791 3.061 . 0 0 "[ . 1 . 2]" 1
657 1 31 LYS HA 1 34 GLN H . . 4.550 3.402 3.183 3.522 . 0 0 "[ . 1 . 2]" 1
658 1 31 LYS HA 1 34 GLN HB2 . . 4.730 2.820 2.582 3.076 . 0 0 "[ . 1 . 2]" 1
659 1 31 LYS HA 1 34 GLN HE21 . . 5.210 3.917 2.231 4.451 . 0 0 "[ . 1 . 2]" 1
660 1 31 LYS HA 1 34 GLN HE22 . . 4.890 4.261 3.389 4.560 . 0 0 "[ . 1 . 2]" 1
661 1 31 LYS HA 1 34 GLN HG3 . . 4.780 3.631 3.464 4.025 . 0 0 "[ . 1 . 2]" 1
662 1 31 LYS HA 1 35 ARG H . . 5.330 4.889 4.349 5.181 . 0 0 "[ . 1 . 2]" 1
663 1 31 LYS QB 1 31 LYS HD3 . . 3.910 3.114 2.413 3.348 . 0 0 "[ . 1 . 2]" 1
664 1 31 LYS QB 1 31 LYS HE2 . . 4.830 2.962 2.778 3.386 . 0 0 "[ . 1 . 2]" 1
665 1 31 LYS QB 1 31 LYS HE3 . . 4.670 1.984 1.941 2.021 . 0 0 "[ . 1 . 2]" 1
666 1 31 LYS QB 1 32 TYR H . . 4.050 3.175 3.039 3.305 . 0 0 "[ . 1 . 2]" 1
667 1 31 LYS QB 1 33 LEU H . . 4.640 4.732 4.637 4.769 0.129 7 0 "[ . 1 . 2]" 1
668 1 31 LYS HE2 1 31 LYS HG2 . . 4.060 3.744 3.707 3.813 . 0 0 "[ . 1 . 2]" 1
669 1 31 LYS HE2 1 31 LYS HG3 . . 4.050 2.951 2.485 4.224 0.174 2 0 "[ . 1 . 2]" 1
670 1 31 LYS HE3 1 31 LYS HG2 . . 3.870 3.593 3.099 3.763 . 0 0 "[ . 1 . 2]" 1
671 1 31 LYS HE3 1 31 LYS HG3 . . 4.090 3.265 3.081 3.707 . 0 0 "[ . 1 . 2]" 1
672 1 31 LYS HE3 1 32 TYR QE . . 4.930 4.325 3.752 4.930 . 0 0 "[ . 1 . 2]" 1
673 1 31 LYS HG3 1 32 TYR H . . 4.870 4.717 4.596 4.789 . 0 0 "[ . 1 . 2]" 1
674 1 32 TYR H 1 32 TYR HB2 . . 4.120 2.330 2.270 2.383 . 0 0 "[ . 1 . 2]" 1
675 1 32 TYR H 1 32 TYR HB3 . . 3.940 3.578 3.536 3.615 . 0 0 "[ . 1 . 2]" 1
676 1 32 TYR H 1 32 TYR QD . . 3.650 2.709 2.423 2.920 . 0 0 "[ . 1 . 2]" 1
677 1 32 TYR H 1 32 TYR QE . . 5.240 5.025 4.771 5.200 . 0 0 "[ . 1 . 2]" 1
678 1 32 TYR H 1 33 LEU H . . 4.040 2.090 1.997 2.216 . 0 0 "[ . 1 . 2]" 1
679 1 32 TYR H 1 33 LEU HA . . 5.170 4.818 4.749 4.909 . 0 0 "[ . 1 . 2]" 1
680 1 32 TYR H 1 33 LEU HB3 . . 5.440 5.495 5.444 5.542 0.102 3 0 "[ . 1 . 2]" 1
681 1 32 TYR H 1 33 LEU QD . . 5.500 4.122 3.580 4.437 . 0 0 "[ . 1 . 2]" 1
682 1 32 TYR H 1 34 GLN H . . 5.030 3.771 3.649 4.098 . 0 0 "[ . 1 . 2]" 1
683 1 32 TYR H 1 43 ALA MB . . 5.330 4.958 4.746 5.121 . 0 0 "[ . 1 . 2]" 1
684 1 32 TYR HA 1 32 TYR QD . . 3.660 3.097 3.027 3.126 . 0 0 "[ . 1 . 2]" 1
685 1 32 TYR HA 1 34 GLN H . . 5.500 4.216 4.025 4.664 . 0 0 "[ . 1 . 2]" 1
686 1 32 TYR HA 1 35 ARG H . . 4.270 3.386 3.208 3.616 . 0 0 "[ . 1 . 2]" 1
687 1 32 TYR HA 1 35 ARG HB2 . . 4.910 2.947 2.505 3.357 . 0 0 "[ . 1 . 2]" 1
688 1 32 TYR HA 1 35 ARG HD2 . . 4.880 3.888 2.350 4.952 0.072 13 0 "[ . 1 . 2]" 1
689 1 32 TYR HA 1 35 ARG HD3 . . 4.690 2.755 1.945 4.259 . 0 0 "[ . 1 . 2]" 1
690 1 32 TYR HA 1 35 ARG HG2 . . 4.200 4.229 2.928 4.331 0.131 4 0 "[ . 1 . 2]" 1
691 1 32 TYR HA 1 35 ARG HG3 . . 4.870 2.834 2.034 4.399 . 0 0 "[ . 1 . 2]" 1
692 1 32 TYR HA 1 36 ASN H . . 5.300 5.301 5.033 5.415 0.115 19 0 "[ . 1 . 2]" 1
693 1 32 TYR HA 1 36 ASN HD21 . . 4.620 4.075 3.640 4.681 0.061 13 0 "[ . 1 . 2]" 1
694 1 32 TYR HA 1 36 ASN HD22 . . 5.500 4.365 3.834 4.572 . 0 0 "[ . 1 . 2]" 1
695 1 32 TYR HA 1 43 ALA MB . . 5.360 4.521 4.338 4.678 . 0 0 "[ . 1 . 2]" 1
696 1 32 TYR HB2 1 33 LEU H . . 4.780 3.194 2.894 3.480 . 0 0 "[ . 1 . 2]" 1
697 1 32 TYR HB2 1 43 ALA MB . . 4.460 3.791 3.596 3.983 . 0 0 "[ . 1 . 2]" 1
698 1 32 TYR HB3 1 33 LEU H . . 4.480 3.850 3.695 4.071 . 0 0 "[ . 1 . 2]" 1
699 1 32 TYR HB3 1 43 ALA MB . . 4.130 3.010 2.883 3.179 . 0 0 "[ . 1 . 2]" 1
700 1 32 TYR QD 1 33 LEU H . . 4.950 4.511 4.334 4.636 . 0 0 "[ . 1 . 2]" 1
701 1 32 TYR QD 1 35 ARG HE . . 5.380 3.964 3.503 4.665 . 0 0 "[ . 1 . 2]" 1
702 1 32 TYR QD 1 43 ALA MB . . 5.260 4.406 4.254 4.585 . 0 0 "[ . 1 . 2]" 1
703 1 32 TYR QD 1 46 ASP H . . 5.030 4.859 4.668 5.057 0.027 6 0 "[ . 1 . 2]" 1
704 1 32 TYR QD 1 46 ASP HB2 . . 4.910 4.597 4.293 4.908 . 0 0 "[ . 1 . 2]" 1
705 1 32 TYR QD 1 47 TYR H . . 4.570 3.176 2.967 3.507 . 0 0 "[ . 1 . 2]" 1
706 1 32 TYR QD 1 47 TYR HA . . 4.920 2.781 2.613 3.023 . 0 0 "[ . 1 . 2]" 1
707 1 32 TYR QD 1 47 TYR QD . . 3.980 3.091 3.001 3.199 . 0 0 "[ . 1 . 2]" 1
708 1 32 TYR QE 1 35 ARG HE . . 5.500 4.687 4.092 5.509 0.009 7 0 "[ . 1 . 2]" 1
709 1 32 TYR QE 1 47 TYR H . . 4.110 4.236 4.203 4.315 0.205 10 0 "[ . 1 . 2]" 1
710 1 32 TYR QE 1 47 TYR HA . . 3.370 2.036 1.843 2.179 . 0 0 "[ . 1 . 2]" 1
711 1 32 TYR QE 1 47 TYR QD . . 4.110 3.352 2.945 3.540 . 0 0 "[ . 1 . 2]" 1
712 1 32 TYR QE 1 47 TYR QE . . 3.990 4.015 4.003 4.041 0.051 7 0 "[ . 1 . 2]" 1
713 1 32 TYR QE 1 48 TYR H . . 5.410 5.413 5.319 5.460 0.050 15 0 "[ . 1 . 2]" 1
714 1 32 TYR QE 1 50 LYS H . . 5.500 4.062 3.867 4.328 . 0 0 "[ . 1 . 2]" 1
715 1 32 TYR QE 1 50 LYS HB2 . . 4.170 2.374 2.086 3.294 . 0 0 "[ . 1 . 2]" 1
716 1 32 TYR QE 1 50 LYS QD . . 4.480 3.561 2.138 4.070 . 0 0 "[ . 1 . 2]" 1
717 1 32 TYR QE 1 50 LYS QE . . 4.310 2.556 2.116 3.938 . 0 0 "[ . 1 . 2]" 1
718 1 32 TYR QE 1 50 LYS QG . . 5.090 2.670 2.451 2.880 . 0 0 "[ . 1 . 2]" 1
719 1 32 TYR QE 1 50 LYS HG3 . . 4.060 4.156 4.113 4.189 0.129 13 0 "[ . 1 . 2]" 1
720 1 32 TYR QE 1 51 GLU H . . 5.500 5.193 4.305 5.547 0.047 10 0 "[ . 1 . 2]" 1
721 1 33 LEU H 1 33 LEU HB2 . . 3.570 2.173 2.041 2.262 . 0 0 "[ . 1 . 2]" 1
722 1 33 LEU H 1 33 LEU HB3 . . 4.150 3.473 3.360 3.550 . 0 0 "[ . 1 . 2]" 1
723 1 33 LEU H 1 33 LEU QD . . 4.180 3.073 2.570 3.390 . 0 0 "[ . 1 . 2]" 1
724 1 33 LEU H 1 33 LEU HG . . 4.430 3.400 2.680 4.430 . 0 0 "[ . 1 . 2]" 1
725 1 33 LEU H 1 34 GLN H . . 3.860 2.410 2.266 2.545 . 0 0 "[ . 1 . 2]" 1
726 1 33 LEU H 1 35 ARG H . . 4.800 3.809 3.501 3.982 . 0 0 "[ . 1 . 2]" 1
727 1 33 LEU H 1 38 TRP HA . . 5.500 5.140 5.041 5.221 . 0 0 "[ . 1 . 2]" 1
728 1 33 LEU H 1 43 ALA MB . . 5.160 3.973 3.762 4.251 . 0 0 "[ . 1 . 2]" 1
729 1 33 LEU HA 1 33 LEU QD . . 3.480 2.061 1.990 2.263 . 0 0 "[ . 1 . 2]" 1
730 1 33 LEU HA 1 35 ARG H . . 5.500 3.700 3.591 3.826 . 0 0 "[ . 1 . 2]" 1
731 1 33 LEU HA 1 35 ARG HB2 . . 4.960 4.798 4.360 5.042 0.082 18 0 "[ . 1 . 2]" 1
732 1 33 LEU HA 1 38 TRP H . . 4.320 3.485 3.353 3.659 . 0 0 "[ . 1 . 2]" 1
733 1 33 LEU HA 1 38 TRP HA . . 3.860 2.897 2.782 3.005 . 0 0 "[ . 1 . 2]" 1
734 1 33 LEU HA 1 39 ASN H . . 4.490 4.148 3.730 4.362 . 0 0 "[ . 1 . 2]" 1
735 1 33 LEU HA 1 43 ALA MB . . 3.590 2.368 2.253 2.528 . 0 0 "[ . 1 . 2]" 1
736 1 33 LEU HB2 1 34 GLN H . . 3.950 2.880 2.734 3.026 . 0 0 "[ . 1 . 2]" 1
737 1 33 LEU HB2 1 38 TRP H . . 5.500 4.938 4.762 5.203 . 0 0 "[ . 1 . 2]" 1
738 1 33 LEU HB2 1 38 TRP HA . . 4.790 3.890 3.759 4.017 . 0 0 "[ . 1 . 2]" 1
739 1 33 LEU HB2 1 38 TRP HE1 . . 5.400 4.901 4.512 5.365 . 0 0 "[ . 1 . 2]" 1
740 1 33 LEU HB3 1 34 GLN H . . 4.490 3.458 3.018 3.661 . 0 0 "[ . 1 . 2]" 1
741 1 33 LEU HB3 1 38 TRP H . . 4.920 3.513 3.357 3.724 . 0 0 "[ . 1 . 2]" 1
742 1 33 LEU HB3 1 38 TRP HA . . 4.790 2.255 2.075 2.534 . 0 0 "[ . 1 . 2]" 1
743 1 33 LEU QD 1 34 GLN H . . 4.780 4.147 4.021 4.236 . 0 0 "[ . 1 . 2]" 1
744 1 33 LEU QD 1 36 ASN H . . 5.500 4.834 4.624 5.193 . 0 0 "[ . 1 . 2]" 1
745 1 33 LEU QD 1 38 TRP H . . 4.770 3.972 3.581 4.581 . 0 0 "[ . 1 . 2]" 1
746 1 33 LEU QD 1 38 TRP HA . . 4.010 2.462 1.994 3.169 . 0 0 "[ . 1 . 2]" 1
747 1 33 LEU QD 1 38 TRP HB2 . . 5.430 4.136 3.857 4.633 . 0 0 "[ . 1 . 2]" 1
748 1 33 LEU QD 1 38 TRP HE1 . . 5.500 5.072 4.895 5.250 . 0 0 "[ . 1 . 2]" 1
749 1 33 LEU QD 1 38 TRP HE3 . . 3.310 2.434 2.257 2.674 . 0 0 "[ . 1 . 2]" 1
750 1 33 LEU QD 1 38 TRP HZ3 . . 3.810 3.132 2.937 3.367 . 0 0 "[ . 1 . 2]" 1
751 1 33 LEU QD 1 39 ASN H . . 5.020 3.856 3.348 4.690 . 0 0 "[ . 1 . 2]" 1
752 1 33 LEU QD 1 40 ILE H . . 4.640 4.180 3.734 4.676 0.036 18 0 "[ . 1 . 2]" 1
753 1 33 LEU QD 1 40 ILE HA . . 3.630 2.657 2.339 3.080 . 0 0 "[ . 1 . 2]" 1
754 1 33 LEU QD 1 40 ILE HB . . 4.200 3.616 3.315 4.068 . 0 0 "[ . 1 . 2]" 1
755 1 33 LEU QD 1 40 ILE MD . . 3.900 3.563 3.369 3.820 . 0 0 "[ . 1 . 2]" 1
756 1 33 LEU QD 1 40 ILE HG12 . . 4.200 3.834 3.619 4.157 . 0 0 "[ . 1 . 2]" 1
757 1 33 LEU QD 1 40 ILE HG13 . . 5.300 2.598 2.310 2.964 . 0 0 "[ . 1 . 2]" 1
758 1 33 LEU QD 1 40 ILE MG . . 4.730 4.393 4.177 4.728 . 0 0 "[ . 1 . 2]" 1
759 1 33 LEU QD 1 43 ALA H . . 5.320 4.090 3.827 4.494 . 0 0 "[ . 1 . 2]" 1
760 1 33 LEU QD 1 43 ALA HA . . 5.410 4.258 4.046 4.388 . 0 0 "[ . 1 . 2]" 1
761 1 33 LEU QD 1 43 ALA MB . . 3.640 1.979 1.887 2.051 . 0 0 "[ . 1 . 2]" 1
762 1 33 LEU HG 1 43 ALA MB . . 4.160 3.052 2.782 3.556 . 0 0 "[ . 1 . 2]" 1
763 1 34 GLN H 1 34 GLN HB2 . . 3.530 2.355 2.278 2.437 . 0 0 "[ . 1 . 2]" 1
764 1 34 GLN H 1 34 GLN HB3 . . 3.520 3.543 3.524 3.559 0.039 13 0 "[ . 1 . 2]" 1
765 1 34 GLN H 1 34 GLN HG2 . . 4.060 3.382 3.153 3.632 . 0 0 "[ . 1 . 2]" 1
766 1 34 GLN H 1 34 GLN HG3 . . 3.830 2.140 1.923 2.290 . 0 0 "[ . 1 . 2]" 1
767 1 34 GLN H 1 35 ARG H . . 3.760 2.676 2.614 2.768 . 0 0 "[ . 1 . 2]" 1
768 1 34 GLN H 1 35 ARG HA . . 5.500 5.266 5.230 5.301 . 0 0 "[ . 1 . 2]" 1
769 1 34 GLN H 1 36 ASN H . . 4.810 4.228 4.123 4.433 . 0 0 "[ . 1 . 2]" 1
770 1 34 GLN H 1 38 TRP H . . 5.500 4.695 4.417 4.795 . 0 0 "[ . 1 . 2]" 1
771 1 34 GLN H 1 38 TRP HA . . 5.440 4.986 4.692 5.109 . 0 0 "[ . 1 . 2]" 1
772 1 34 GLN H 1 38 TRP HE1 . . 5.480 4.249 4.114 4.516 . 0 0 "[ . 1 . 2]" 1
773 1 34 GLN H 1 38 TRP HZ2 . . 5.180 5.209 5.176 5.248 0.068 5 0 "[ . 1 . 2]" 1
774 1 34 GLN H 1 43 ALA MB . . 5.500 5.165 4.996 5.456 . 0 0 "[ . 1 . 2]" 1
775 1 34 GLN HA 1 34 GLN HE22 . . 5.530 5.811 5.757 5.837 0.307 14 0 "[ . 1 . 2]" 1
776 1 34 GLN HA 1 34 GLN HG2 . . 3.760 2.286 2.163 2.443 . 0 0 "[ . 1 . 2]" 1
777 1 34 GLN HA 1 34 GLN HG3 . . 3.780 2.787 2.526 2.885 . 0 0 "[ . 1 . 2]" 1
778 1 34 GLN HA 1 36 ASN H . . 4.870 3.725 3.619 3.898 . 0 0 "[ . 1 . 2]" 1
779 1 34 GLN HA 1 37 HIS H . . 4.700 3.848 3.552 4.133 . 0 0 "[ . 1 . 2]" 1
780 1 34 GLN HA 1 38 TRP H . . 4.300 3.601 3.327 3.800 . 0 0 "[ . 1 . 2]" 1
781 1 34 GLN HA 1 38 TRP HD1 . . 3.710 2.818 2.547 3.022 . 0 0 "[ . 1 . 2]" 1
782 1 34 GLN HA 1 38 TRP HE1 . . 3.600 2.665 2.399 2.991 . 0 0 "[ . 1 . 2]" 1
783 1 34 GLN HB2 1 34 GLN HE22 . . 4.900 4.482 3.877 4.641 . 0 0 "[ . 1 . 2]" 1
784 1 34 GLN HB2 1 35 ARG H . . 4.010 3.269 2.925 3.499 . 0 0 "[ . 1 . 2]" 1
785 1 34 GLN HB2 1 35 ARG HA . . 4.650 4.645 4.344 4.744 0.094 1 0 "[ . 1 . 2]" 1
786 1 34 GLN HB2 1 36 ASN H . . 5.430 5.124 5.013 5.297 . 0 0 "[ . 1 . 2]" 1
787 1 34 GLN HB2 1 38 TRP HE1 . . 4.750 4.638 4.531 4.745 . 0 0 "[ . 1 . 2]" 1
788 1 34 GLN HB3 1 34 GLN HE22 . . 4.800 4.671 4.242 4.858 0.058 10 0 "[ . 1 . 2]" 1
789 1 34 GLN HB3 1 35 ARG H . . 4.530 4.103 3.907 4.198 . 0 0 "[ . 1 . 2]" 1
790 1 34 GLN HB3 1 38 TRP HE1 . . 4.870 3.993 3.765 4.187 . 0 0 "[ . 1 . 2]" 1
791 1 34 GLN HE21 1 38 TRP HZ2 . . 5.290 2.684 2.199 4.201 . 0 0 "[ . 1 . 2]" 1
792 1 34 GLN HE22 1 34 GLN HG2 . . 3.920 3.771 3.681 4.059 0.139 8 0 "[ . 1 . 2]" 1
793 1 34 GLN HE22 1 34 GLN HG3 . . 3.850 3.578 3.530 3.623 . 0 0 "[ . 1 . 2]" 1
794 1 34 GLN HE22 1 38 TRP HE1 . . 5.500 5.077 4.833 5.572 0.072 16 0 "[ . 1 . 2]" 1
795 1 34 GLN HE22 1 38 TRP HZ2 . . 4.370 3.870 3.594 4.431 0.061 1 0 "[ . 1 . 2]" 1
796 1 34 GLN HG2 1 38 TRP HD1 . . 4.290 3.823 3.553 4.393 0.103 10 0 "[ . 1 . 2]" 1
797 1 34 GLN HG2 1 38 TRP HE1 . . 3.990 1.811 1.728 2.174 . 0 0 "[ . 1 . 2]" 1
798 1 34 GLN HG2 1 38 TRP HZ2 . . 4.100 3.216 2.871 3.508 . 0 0 "[ . 1 . 2]" 1
799 1 34 GLN HG3 1 35 ARG H . . 5.500 4.504 4.280 4.702 . 0 0 "[ . 1 . 2]" 1
800 1 34 GLN HG3 1 38 TRP HE1 . . 4.140 2.864 2.765 3.054 . 0 0 "[ . 1 . 2]" 1
801 1 34 GLN HG3 1 38 TRP HZ2 . . 4.090 3.319 3.046 3.614 . 0 0 "[ . 1 . 2]" 1
802 1 35 ARG H 1 35 ARG HB2 . . 3.860 2.365 1.956 2.570 . 0 0 "[ . 1 . 2]" 1
803 1 35 ARG H 1 35 ARG HB3 . . 3.720 3.527 2.234 3.667 . 0 0 "[ . 1 . 2]" 1
804 1 35 ARG H 1 35 ARG HD2 . . 4.940 4.846 4.326 4.960 0.020 1 0 "[ . 1 . 2]" 1
805 1 35 ARG H 1 35 ARG HD3 . . 5.070 4.346 3.920 5.406 0.336 14 0 "[ . 1 . 2]" 1
806 1 35 ARG H 1 35 ARG HG2 . . 4.360 3.544 2.540 4.238 . 0 0 "[ . 1 . 2]" 1
807 1 35 ARG H 1 35 ARG HG3 . . 4.450 2.610 2.329 4.125 . 0 0 "[ . 1 . 2]" 1
808 1 35 ARG H 1 36 ASN H . . 3.750 2.405 2.250 2.674 . 0 0 "[ . 1 . 2]" 1
809 1 35 ARG H 1 36 ASN HA . . 5.500 5.075 4.941 5.332 . 0 0 "[ . 1 . 2]" 1
810 1 35 ARG H 1 36 ASN HD21 . . 5.500 3.418 3.155 4.548 . 0 0 "[ . 1 . 2]" 1
811 1 35 ARG H 1 37 HIS H . . 4.420 4.345 4.225 4.442 0.022 5 0 "[ . 1 . 2]" 1
812 1 35 ARG HA 1 35 ARG HD2 . . 4.940 4.402 2.461 4.777 . 0 0 "[ . 1 . 2]" 1
813 1 35 ARG HA 1 35 ARG HD3 . . 5.000 4.667 3.883 4.804 . 0 0 "[ . 1 . 2]" 1
814 1 35 ARG HA 1 36 ASN HA . . 4.820 4.580 4.549 4.653 . 0 0 "[ . 1 . 2]" 1
815 1 35 ARG HA 1 37 HIS H . . 4.580 4.307 4.089 4.606 0.026 13 0 "[ . 1 . 2]" 1
816 1 35 ARG HB2 1 35 ARG HD2 . . 4.180 3.589 2.787 3.797 . 0 0 "[ . 1 . 2]" 1
817 1 35 ARG HB2 1 36 ASN H . . 4.630 3.396 3.022 3.892 . 0 0 "[ . 1 . 2]" 1
818 1 35 ARG HB2 1 36 ASN HD21 . . 5.500 2.388 2.194 4.236 . 0 0 "[ . 1 . 2]" 1
819 1 35 ARG HB2 1 37 HIS H . . 5.500 5.493 5.346 5.646 0.146 14 0 "[ . 1 . 2]" 1
820 1 35 ARG HB3 1 35 ARG HD2 . . 3.780 3.216 2.398 3.750 . 0 0 "[ . 1 . 2]" 1
821 1 35 ARG HB3 1 35 ARG HE . . 5.130 2.747 2.430 3.305 . 0 0 "[ . 1 . 2]" 1
822 1 35 ARG HB3 1 36 ASN H . . 4.440 4.112 2.877 4.360 . 0 0 "[ . 1 . 2]" 1
823 1 35 ARG HB3 1 36 ASN HD22 . . 5.500 3.406 2.497 4.431 . 0 0 "[ . 1 . 2]" 1
824 1 35 ARG HE 1 36 ASN HD22 . . 5.380 3.820 3.168 5.405 0.025 13 0 "[ . 1 . 2]" 1
825 1 35 ARG HG2 1 36 ASN HD21 . . 5.150 5.057 2.637 5.207 0.057 5 0 "[ . 1 . 2]" 1
826 1 35 ARG HG3 1 36 ASN H . . 4.990 4.626 4.389 5.077 0.087 13 0 "[ . 1 . 2]" 1
827 1 35 ARG HG3 1 36 ASN HD22 . . 5.040 4.976 4.539 5.135 0.095 14 0 "[ . 1 . 2]" 1
828 1 36 ASN H 1 36 ASN HB2 . . 4.090 3.006 2.668 3.839 . 0 0 "[ . 1 . 2]" 1
829 1 36 ASN H 1 36 ASN HB3 . . 3.940 3.750 3.428 3.870 . 0 0 "[ . 1 . 2]" 1
830 1 36 ASN H 1 36 ASN HD21 . . 4.490 3.031 2.865 3.587 . 0 0 "[ . 1 . 2]" 1
831 1 36 ASN H 1 36 ASN HD22 . . 4.880 4.125 3.452 4.369 . 0 0 "[ . 1 . 2]" 1
832 1 36 ASN H 1 37 HIS H . . 3.740 2.346 2.166 2.479 . 0 0 "[ . 1 . 2]" 1
833 1 36 ASN H 1 37 HIS HA . . 4.460 4.247 4.170 4.370 . 0 0 "[ . 1 . 2]" 1
834 1 36 ASN H 1 38 TRP H . . 4.710 2.953 2.889 3.102 . 0 0 "[ . 1 . 2]" 1
835 1 36 ASN H 1 39 ASN H . . 5.500 4.360 4.074 4.483 . 0 0 "[ . 1 . 2]" 1
836 1 36 ASN H 1 43 ALA MB . . 4.920 4.247 4.114 4.588 . 0 0 "[ . 1 . 2]" 1
837 1 36 ASN HA 1 38 TRP H . . 5.500 4.612 4.532 4.741 . 0 0 "[ . 1 . 2]" 1
838 1 36 ASN HB2 1 43 ALA MB . . 5.330 2.764 2.145 4.429 . 0 0 "[ . 1 . 2]" 1
839 1 36 ASN HB3 1 37 HIS H . . 4.810 4.552 4.496 4.709 . 0 0 "[ . 1 . 2]" 1
840 1 36 ASN HB3 1 38 TRP H . . 5.500 4.846 4.472 5.511 0.011 14 0 "[ . 1 . 2]" 1
841 1 36 ASN HB3 1 43 ALA H . . 4.780 3.874 3.460 4.861 0.081 8 0 "[ . 1 . 2]" 1
842 1 36 ASN HB3 1 43 ALA HA . . 4.670 4.033 3.735 4.550 . 0 0 "[ . 1 . 2]" 1
843 1 36 ASN HB3 1 43 ALA MB . . 5.430 3.659 3.168 4.643 . 0 0 "[ . 1 . 2]" 1
844 1 36 ASN HD21 1 43 ALA HA . . 4.580 2.844 2.641 3.047 . 0 0 "[ . 1 . 2]" 1
845 1 36 ASN HD21 1 43 ALA MB . . 5.090 3.139 2.909 3.689 . 0 0 "[ . 1 . 2]" 1
846 1 36 ASN HD21 1 46 ASP HB3 . . 4.650 3.686 3.538 3.981 . 0 0 "[ . 1 . 2]" 1
847 1 36 ASN HD22 1 43 ALA HA . . 4.780 2.702 1.962 3.099 . 0 0 "[ . 1 . 2]" 1
848 1 36 ASN HD22 1 43 ALA MB . . 5.490 3.503 2.018 4.054 . 0 0 "[ . 1 . 2]" 1
849 1 36 ASN HD22 1 46 ASP H . . 5.030 4.687 4.396 5.092 0.062 5 0 "[ . 1 . 2]" 1
850 1 36 ASN HD22 1 46 ASP HB2 . . 4.640 3.153 2.545 4.470 . 0 0 "[ . 1 . 2]" 1
851 1 36 ASN HD22 1 46 ASP HB3 . . 5.500 2.917 2.503 3.743 . 0 0 "[ . 1 . 2]" 1
852 1 37 HIS H 1 37 HIS HB2 . . 4.090 3.746 3.642 4.024 . 0 0 "[ . 1 . 2]" 1
853 1 37 HIS H 1 37 HIS HD2 . . 5.500 4.616 3.835 5.478 . 0 0 "[ . 1 . 2]" 1
854 1 37 HIS H 1 38 TRP H . . 3.880 2.794 2.682 2.887 . 0 0 "[ . 1 . 2]" 1
855 1 37 HIS H 1 39 ASN H . . 5.100 4.412 4.338 4.555 . 0 0 "[ . 1 . 2]" 1
856 1 37 HIS HA 1 38 TRP HD1 . . 3.510 2.783 2.654 2.997 . 0 0 "[ . 1 . 2]" 1
857 1 37 HIS HA 1 39 ASN H . . 5.450 4.634 4.536 4.899 . 0 0 "[ . 1 . 2]" 1
858 1 37 HIS HB2 1 38 TRP H . . 5.500 4.226 4.095 4.523 . 0 0 "[ . 1 . 2]" 1
859 1 37 HIS HB2 1 38 TRP HD1 . . 5.000 5.100 4.770 5.201 0.201 7 0 "[ . 1 . 2]" 1
860 1 37 HIS HB3 1 37 HIS HD2 . . 3.440 3.404 2.713 3.664 0.224 1 0 "[ . 1 . 2]" 1
861 1 37 HIS HD2 1 42 TYR QE . . 4.170 4.205 4.185 4.222 0.052 1 0 "[ . 1 . 2]" 1
862 1 38 TRP H 1 38 TRP HD1 . . 3.660 2.473 2.426 2.537 . 0 0 "[ . 1 . 2]" 1
863 1 38 TRP H 1 38 TRP HE1 . . 5.190 4.646 4.597 4.756 . 0 0 "[ . 1 . 2]" 1
864 1 38 TRP H 1 39 ASN H . . 3.900 2.778 2.732 2.895 . 0 0 "[ . 1 . 2]" 1
865 1 38 TRP H 1 39 ASN HB3 . . 5.500 5.115 5.071 5.257 . 0 0 "[ . 1 . 2]" 1
866 1 38 TRP H 1 43 ALA MB . . 5.500 4.456 4.272 4.814 . 0 0 "[ . 1 . 2]" 1
867 1 38 TRP HA 1 38 TRP HD1 . . 3.940 3.450 3.381 3.543 . 0 0 "[ . 1 . 2]" 1
868 1 38 TRP HA 1 38 TRP HE1 . . 5.500 5.155 5.104 5.226 . 0 0 "[ . 1 . 2]" 1
869 1 38 TRP HA 1 38 TRP HE3 . . 4.180 4.183 4.095 4.227 0.047 5 0 "[ . 1 . 2]" 1
870 1 38 TRP HB2 1 38 TRP HD1 . . 3.830 3.059 3.012 3.090 . 0 0 "[ . 1 . 2]" 1
871 1 38 TRP HB2 1 38 TRP HE3 . . 3.760 3.821 3.794 3.870 0.110 1 0 "[ . 1 . 2]" 1
872 1 38 TRP HB3 1 38 TRP HD1 . . 3.910 3.894 3.884 3.908 . 0 0 "[ . 1 . 2]" 1
873 1 38 TRP HB3 1 38 TRP HE1 . . 5.150 5.259 5.253 5.264 0.114 17 0 "[ . 1 . 2]" 1
874 1 38 TRP HB3 1 38 TRP HE3 . . 4.140 2.446 2.430 2.460 . 0 0 "[ . 1 . 2]" 1
875 1 39 ASN H 1 39 ASN HB2 . . 3.610 2.610 2.573 2.705 . 0 0 "[ . 1 . 2]" 1
876 1 39 ASN H 1 39 ASN HB3 . . 3.650 2.514 2.488 2.544 . 0 0 "[ . 1 . 2]" 1
877 1 39 ASN H 1 40 ILE H . . 4.730 4.432 4.352 4.491 . 0 0 "[ . 1 . 2]" 1
878 1 39 ASN H 1 40 ILE HA . . 4.670 4.789 4.746 4.811 0.141 7 0 "[ . 1 . 2]" 1
879 1 39 ASN H 1 42 TYR H . . 5.040 5.085 5.046 5.112 0.072 6 0 "[ . 1 . 2]" 1
880 1 39 ASN H 1 42 TYR QD . . 5.230 4.402 4.306 4.487 . 0 0 "[ . 1 . 2]" 1
881 1 39 ASN H 1 43 ALA H . . 5.220 4.424 4.331 4.502 . 0 0 "[ . 1 . 2]" 1
882 1 39 ASN H 1 43 ALA MB . . 5.500 3.599 3.519 3.651 . 0 0 "[ . 1 . 2]" 1
883 1 39 ASN HA 1 39 ASN HD22 . . 5.500 4.047 3.971 4.089 . 0 0 "[ . 1 . 2]" 1
884 1 39 ASN HA 1 40 ILE H . . 3.450 2.251 2.227 2.275 . 0 0 "[ . 1 . 2]" 1
885 1 39 ASN HA 1 40 ILE HB . . 4.310 4.312 4.281 4.328 0.018 15 0 "[ . 1 . 2]" 1
886 1 39 ASN HA 1 41 ASN H . . 4.800 3.773 3.697 3.838 . 0 0 "[ . 1 . 2]" 1
887 1 39 ASN HB2 1 40 ILE H . . 5.460 4.553 4.513 4.581 . 0 0 "[ . 1 . 2]" 1
888 1 39 ASN HB2 1 42 TYR H . . 4.900 4.433 4.414 4.452 . 0 0 "[ . 1 . 2]" 1
889 1 39 ASN HB2 1 42 TYR HB2 . . 4.950 3.660 3.649 3.671 . 0 0 "[ . 1 . 2]" 1
890 1 39 ASN HB2 1 42 TYR HB3 . . 4.870 4.969 4.962 4.978 0.108 15 0 "[ . 1 . 2]" 1
891 1 39 ASN HB2 1 42 TYR QD . . 3.840 3.065 2.884 3.109 . 0 0 "[ . 1 . 2]" 1
892 1 39 ASN HB2 1 42 TYR QE . . 3.780 3.789 3.712 3.814 0.034 9 0 "[ . 1 . 2]" 1
893 1 39 ASN HB2 1 43 ALA H . . 5.100 5.132 5.074 5.155 0.055 6 0 "[ . 1 . 2]" 1
894 1 39 ASN HB2 1 43 ALA MB . . 5.110 5.204 5.186 5.247 0.137 5 0 "[ . 1 . 2]" 1
895 1 39 ASN HB3 1 40 ILE H . . 4.950 4.315 4.250 4.349 . 0 0 "[ . 1 . 2]" 1
896 1 39 ASN HB3 1 42 TYR HB2 . . 4.830 1.990 1.979 2.001 . 0 0 "[ . 1 . 2]" 1
897 1 39 ASN HB3 1 42 TYR QD . . 3.690 2.580 2.448 2.624 . 0 0 "[ . 1 . 2]" 1
898 1 39 ASN HB3 1 43 ALA H . . 5.420 3.458 3.402 3.487 . 0 0 "[ . 1 . 2]" 1
899 1 39 ASN HD21 1 41 ASN H . . 5.500 5.071 4.960 5.151 . 0 0 "[ . 1 . 2]" 1
900 1 39 ASN HD21 1 42 TYR QE . . 5.500 3.287 3.203 3.493 . 0 0 "[ . 1 . 2]" 1
901 1 39 ASN HD22 1 41 ASN H . . 5.500 4.350 4.218 4.446 . 0 0 "[ . 1 . 2]" 1
902 1 39 ASN HD22 1 41 ASN QB . . 5.500 3.809 3.734 3.882 . 0 0 "[ . 1 . 2]" 1
903 1 39 ASN HD22 1 42 TYR H . . 5.500 4.409 4.350 4.480 . 0 0 "[ . 1 . 2]" 1
904 1 39 ASN HD22 1 42 TYR QD . . 5.500 4.186 4.139 4.270 . 0 0 "[ . 1 . 2]" 1
905 1 40 ILE H 1 40 ILE HB . . 3.300 2.282 2.237 2.331 . 0 0 "[ . 1 . 2]" 1
906 1 40 ILE H 1 40 ILE MD . . 4.340 4.303 4.266 4.342 0.002 9 0 "[ . 1 . 2]" 1
907 1 40 ILE H 1 40 ILE HG12 . . 4.530 4.537 4.520 4.550 0.020 7 0 "[ . 1 . 2]" 1
908 1 40 ILE H 1 40 ILE HG13 . . 4.630 4.194 4.136 4.246 . 0 0 "[ . 1 . 2]" 1
909 1 40 ILE H 1 40 ILE MG . . 3.230 2.435 2.393 2.511 . 0 0 "[ . 1 . 2]" 1
910 1 40 ILE H 1 41 ASN H . . 3.870 2.689 2.631 2.763 . 0 0 "[ . 1 . 2]" 1
911 1 40 ILE H 1 41 ASN QB . . 5.500 4.371 4.308 4.449 . 0 0 "[ . 1 . 2]" 1
912 1 40 ILE H 1 42 TYR H . . 5.310 4.410 4.344 4.508 . 0 0 "[ . 1 . 2]" 1
913 1 40 ILE HA 1 40 ILE HG12 . . 3.880 2.760 2.693 2.811 . 0 0 "[ . 1 . 2]" 1
914 1 40 ILE HA 1 40 ILE HG13 . . 4.250 2.314 2.266 2.357 . 0 0 "[ . 1 . 2]" 1
915 1 40 ILE HA 1 40 ILE MG . . 3.640 3.189 3.179 3.197 . 0 0 "[ . 1 . 2]" 1
916 1 40 ILE HA 1 41 ASN HA . . 4.730 4.709 4.698 4.717 . 0 0 "[ . 1 . 2]" 1
917 1 40 ILE HA 1 42 TYR H . . 5.020 4.520 4.436 4.638 . 0 0 "[ . 1 . 2]" 1
918 1 40 ILE HA 1 43 ALA H . . 4.420 3.420 3.357 3.515 . 0 0 "[ . 1 . 2]" 1
919 1 40 ILE HA 1 43 ALA MB . . 3.760 2.366 2.227 2.422 . 0 0 "[ . 1 . 2]" 1
920 1 40 ILE HA 1 44 LEU H . . 5.060 3.995 3.910 4.080 . 0 0 "[ . 1 . 2]" 1
921 1 40 ILE HA 1 44 LEU QD . . 5.060 4.195 4.117 4.277 . 0 0 "[ . 1 . 2]" 1
922 1 40 ILE HB 1 40 ILE MD . . 3.590 2.403 2.369 2.429 . 0 0 "[ . 1 . 2]" 1
923 1 40 ILE HB 1 41 ASN H . . 4.130 4.139 4.105 4.155 0.025 10 0 "[ . 1 . 2]" 1
924 1 40 ILE MD 1 43 ALA MB . . 4.870 4.852 4.673 4.891 0.021 18 0 "[ . 1 . 2]" 1
925 1 40 ILE MD 1 44 LEU QD . . 4.860 3.144 2.955 3.344 . 0 0 "[ . 1 . 2]" 1
926 1 40 ILE HG12 1 40 ILE MG . . 3.550 2.405 2.371 2.440 . 0 0 "[ . 1 . 2]" 1
927 1 40 ILE HG12 1 41 ASN H . . 5.500 4.757 4.708 4.819 . 0 0 "[ . 1 . 2]" 1
928 1 40 ILE HG12 1 44 LEU QD . . 4.590 2.600 2.470 2.754 . 0 0 "[ . 1 . 2]" 1
929 1 40 ILE HG13 1 40 ILE MG . . 3.500 3.225 3.218 3.232 . 0 0 "[ . 1 . 2]" 1
930 1 40 ILE HG13 1 44 LEU QD . . 4.120 3.850 3.729 3.995 . 0 0 "[ . 1 . 2]" 1
931 1 40 ILE MG 1 41 ASN H . . 3.310 2.695 2.662 2.749 . 0 0 "[ . 1 . 2]" 1
932 1 40 ILE MG 1 41 ASN HA . . 3.960 3.236 3.206 3.270 . 0 0 "[ . 1 . 2]" 1
933 1 40 ILE MG 1 41 ASN QB . . 4.110 3.179 3.129 3.233 . 0 0 "[ . 1 . 2]" 1
934 1 40 ILE MG 1 41 ASN HD21 . . 5.200 4.543 4.489 4.624 . 0 0 "[ . 1 . 2]" 1
935 1 40 ILE MG 1 42 TYR H . . 4.550 4.569 4.552 4.596 0.046 8 0 "[ . 1 . 2]" 1
936 1 40 ILE MG 1 43 ALA MB . . 5.250 4.602 4.450 4.665 . 0 0 "[ . 1 . 2]" 1
937 1 40 ILE MG 1 44 LEU H . . 4.850 4.840 4.792 4.868 0.018 13 0 "[ . 1 . 2]" 1
938 1 40 ILE MG 1 44 LEU QD . . 3.450 2.883 2.797 3.012 . 0 0 "[ . 1 . 2]" 1
939 1 41 ASN H 1 41 ASN QB . . 3.220 2.236 2.227 2.253 . 0 0 "[ . 1 . 2]" 1
940 1 41 ASN H 1 41 ASN HD21 . . 5.130 4.735 4.723 4.762 . 0 0 "[ . 1 . 2]" 1
941 1 41 ASN H 1 42 TYR H . . 3.640 2.233 2.207 2.249 . 0 0 "[ . 1 . 2]" 1
942 1 41 ASN H 1 42 TYR HB3 . . 5.510 5.660 5.648 5.669 0.159 18 0 "[ . 1 . 2]" 1
943 1 41 ASN H 1 42 TYR QD . . 5.500 4.339 4.299 4.428 . 0 0 "[ . 1 . 2]" 1
944 1 41 ASN H 1 43 ALA H . . 4.900 3.570 3.528 3.607 . 0 0 "[ . 1 . 2]" 1
945 1 41 ASN H 1 44 LEU QD . . 5.100 4.636 4.575 4.726 . 0 0 "[ . 1 . 2]" 1
946 1 41 ASN HA 1 41 ASN HD21 . . 4.490 2.397 2.381 2.426 . 0 0 "[ . 1 . 2]" 1
947 1 41 ASN HA 1 41 ASN HD22 . . 5.100 3.723 3.712 3.749 . 0 0 "[ . 1 . 2]" 1
948 1 41 ASN HA 1 44 LEU H . . 4.670 3.473 3.380 3.548 . 0 0 "[ . 1 . 2]" 1
949 1 41 ASN HA 1 44 LEU HB2 . . 4.720 2.870 2.776 2.930 . 0 0 "[ . 1 . 2]" 1
950 1 41 ASN HA 1 44 LEU QD . . 4.180 2.802 2.663 2.946 . 0 0 "[ . 1 . 2]" 1
951 1 41 ASN QB 1 42 TYR H . . 3.690 2.499 2.464 2.544 . 0 0 "[ . 1 . 2]" 1
952 1 41 ASN QB 1 42 TYR QD . . 3.590 3.039 3.002 3.164 . 0 0 "[ . 1 . 2]" 1
953 1 41 ASN QB 1 42 TYR QE . . 3.650 3.684 3.670 3.691 0.041 18 0 "[ . 1 . 2]" 1
954 1 41 ASN QB 1 43 ALA H . . 5.500 4.618 4.575 4.665 . 0 0 "[ . 1 . 2]" 1
955 1 41 ASN QB 1 44 LEU QD . . 5.090 4.278 4.164 4.377 . 0 0 "[ . 1 . 2]" 1
956 1 41 ASN HD21 1 42 TYR H . . 5.500 5.130 5.122 5.147 . 0 0 "[ . 1 . 2]" 1
957 1 41 ASN HD21 1 44 LEU QD . . 5.100 3.879 3.659 4.072 . 0 0 "[ . 1 . 2]" 1
958 1 41 ASN HD21 1 45 ASN HD22 . . 4.880 3.863 3.754 4.031 . 0 0 "[ . 1 . 2]" 1
959 1 41 ASN HD22 1 42 TYR H . . 5.500 5.606 5.597 5.617 0.117 3 0 "[ . 1 . 2]" 1
960 1 41 ASN HD22 1 44 LEU QD . . 5.480 5.091 4.873 5.286 . 0 0 "[ . 1 . 2]" 1
961 1 41 ASN HD22 1 45 ASN HD21 . . 5.500 3.651 3.543 3.788 . 0 0 "[ . 1 . 2]" 1
962 1 41 ASN HD22 1 45 ASN HD22 . . 4.970 2.972 2.899 3.082 . 0 0 "[ . 1 . 2]" 1
963 1 42 TYR H 1 42 TYR HB3 . . 4.040 3.525 3.509 3.542 . 0 0 "[ . 1 . 2]" 1
964 1 42 TYR H 1 42 TYR QD . . 2.980 2.636 2.575 2.739 . 0 0 "[ . 1 . 2]" 1
965 1 42 TYR H 1 42 TYR QE . . 5.500 4.315 4.270 4.352 . 0 0 "[ . 1 . 2]" 1
966 1 42 TYR H 1 43 ALA H . . 3.830 2.542 2.524 2.559 . 0 0 "[ . 1 . 2]" 1
967 1 42 TYR H 1 43 ALA MB . . 5.270 4.162 4.098 4.191 . 0 0 "[ . 1 . 2]" 1
968 1 42 TYR H 1 44 LEU QD . . 5.500 5.370 5.330 5.452 . 0 0 "[ . 1 . 2]" 1
969 1 42 TYR HA 1 42 TYR QD . . 2.860 2.268 2.205 2.295 . 0 0 "[ . 1 . 2]" 1
970 1 42 TYR HA 1 45 ASN H . . 4.240 3.596 3.506 3.687 . 0 0 "[ . 1 . 2]" 1
971 1 42 TYR HA 1 45 ASN HB2 . . 4.410 3.003 2.959 3.050 . 0 0 "[ . 1 . 2]" 1
972 1 42 TYR HA 1 45 ASN HB3 . . 4.600 4.629 4.614 4.650 0.050 15 0 "[ . 1 . 2]" 1
973 1 42 TYR HA 1 45 ASN HD21 . . 5.500 3.425 3.297 3.546 . 0 0 "[ . 1 . 2]" 1
974 1 42 TYR HA 1 45 ASN HD22 . . 5.500 4.854 4.690 5.015 . 0 0 "[ . 1 . 2]" 1
975 1 42 TYR HB2 1 43 ALA H . . 4.280 2.462 2.376 2.540 . 0 0 "[ . 1 . 2]" 1
976 1 42 TYR HB2 1 43 ALA MB . . 5.100 3.655 3.605 3.725 . 0 0 "[ . 1 . 2]" 1
977 1 42 TYR HB3 1 43 ALA H . . 3.960 3.607 3.531 3.685 . 0 0 "[ . 1 . 2]" 1
978 1 42 TYR HB3 1 44 LEU H . . 5.400 5.483 5.467 5.510 0.110 13 0 "[ . 1 . 2]" 1
979 1 42 TYR QD 1 43 ALA H . . 5.250 4.330 4.292 4.363 . 0 0 "[ . 1 . 2]" 1
980 1 43 ALA H 1 43 ALA MB . . 3.370 2.171 2.137 2.189 . 0 0 "[ . 1 . 2]" 1
981 1 43 ALA H 1 45 ASN H . . 5.320 4.168 4.129 4.226 . 0 0 "[ . 1 . 2]" 1
982 1 43 ALA HA 1 46 ASP H . . 4.920 3.268 3.081 3.383 . 0 0 "[ . 1 . 2]" 1
983 1 43 ALA HA 1 46 ASP HB3 . . 4.630 2.601 2.344 2.803 . 0 0 "[ . 1 . 2]" 1
984 1 43 ALA MB 1 44 LEU H . . 4.410 2.821 2.693 2.877 . 0 0 "[ . 1 . 2]" 1
985 1 43 ALA MB 1 44 LEU QD . . 5.130 3.963 3.863 4.068 . 0 0 "[ . 1 . 2]" 1
986 1 43 ALA MB 1 44 LEU HG . . 5.300 3.602 3.459 3.732 . 0 0 "[ . 1 . 2]" 1
987 1 43 ALA MB 1 46 ASP H . . 5.350 4.527 4.339 4.617 . 0 0 "[ . 1 . 2]" 1
988 1 43 ALA MB 1 46 ASP HB3 . . 5.130 4.021 3.745 4.235 . 0 0 "[ . 1 . 2]" 1
989 1 44 LEU H 1 44 LEU HB2 . . 3.910 2.265 2.252 2.278 . 0 0 "[ . 1 . 2]" 1
990 1 44 LEU H 1 44 LEU HB3 . . 4.140 3.562 3.550 3.573 . 0 0 "[ . 1 . 2]" 1
991 1 44 LEU H 1 44 LEU QD . . 4.320 3.355 3.330 3.387 . 0 0 "[ . 1 . 2]" 1
992 1 44 LEU H 1 44 LEU HG . . 3.960 2.822 2.774 2.876 . 0 0 "[ . 1 . 2]" 1
993 1 44 LEU H 1 45 ASN H . . 3.920 2.518 2.494 2.563 . 0 0 "[ . 1 . 2]" 1
994 1 44 LEU H 1 45 ASN HB2 . . 5.300 4.513 4.447 4.585 . 0 0 "[ . 1 . 2]" 1
995 1 44 LEU H 1 46 ASP H . . 5.190 3.938 3.753 4.060 . 0 0 "[ . 1 . 2]" 1
996 1 44 LEU HA 1 44 LEU QD . . 3.640 1.992 1.966 2.005 . 0 0 "[ . 1 . 2]" 1
997 1 44 LEU HA 1 46 ASP H . . 5.500 4.257 4.033 4.389 . 0 0 "[ . 1 . 2]" 1
998 1 44 LEU HA 1 47 TYR H . . 4.600 3.380 3.232 3.599 . 0 0 "[ . 1 . 2]" 1
999 1 44 LEU HA 1 47 TYR HB2 . . 4.610 3.742 3.380 4.149 . 0 0 "[ . 1 . 2]" 1
1000 1 44 LEU HA 1 47 TYR HB3 . . 4.830 2.727 2.613 2.995 . 0 0 "[ . 1 . 2]" 1
1001 1 44 LEU HA 1 48 TYR H . . 4.800 3.866 3.742 3.927 . 0 0 "[ . 1 . 2]" 1
1002 1 44 LEU HA 1 48 TYR QD . . 4.920 4.656 4.434 4.748 . 0 0 "[ . 1 . 2]" 1
1003 1 44 LEU HB2 1 45 ASN H . . 4.450 2.935 2.866 3.055 . 0 0 "[ . 1 . 2]" 1
1004 1 44 LEU HB3 1 45 ASN H . . 4.880 3.635 3.564 3.724 . 0 0 "[ . 1 . 2]" 1
1005 1 44 LEU QD 1 45 ASN H . . 4.960 4.267 4.229 4.321 . 0 0 "[ . 1 . 2]" 1
1006 1 44 LEU QD 1 45 ASN HD21 . . 5.500 4.652 4.540 4.725 . 0 0 "[ . 1 . 2]" 1
1007 1 44 LEU QD 1 45 ASN HD22 . . 5.500 5.110 5.019 5.213 . 0 0 "[ . 1 . 2]" 1
1008 1 44 LEU QD 1 47 TYR H . . 5.500 4.659 4.498 4.816 . 0 0 "[ . 1 . 2]" 1
1009 1 44 LEU QD 1 48 TYR QD . . 5.290 3.970 3.788 4.063 . 0 0 "[ . 1 . 2]" 1
1010 1 44 LEU QD 1 48 TYR QE . . 3.460 2.900 2.638 3.003 . 0 0 "[ . 1 . 2]" 1
1011 1 44 LEU HG 1 45 ASN H . . 5.380 4.762 4.732 4.809 . 0 0 "[ . 1 . 2]" 1
1012 1 45 ASN H 1 45 ASN HB2 . . 3.860 2.238 2.217 2.257 . 0 0 "[ . 1 . 2]" 1
1013 1 45 ASN H 1 45 ASN HB3 . . 3.780 3.535 3.520 3.547 . 0 0 "[ . 1 . 2]" 1
1014 1 45 ASN H 1 45 ASN HD21 . . 5.040 2.324 2.226 2.362 . 0 0 "[ . 1 . 2]" 1
1015 1 45 ASN H 1 45 ASN HD22 . . 4.520 3.883 3.819 3.931 . 0 0 "[ . 1 . 2]" 1
1016 1 45 ASN H 1 46 ASP HB3 . . 5.100 4.760 4.684 4.844 . 0 0 "[ . 1 . 2]" 1
1017 1 45 ASN HA 1 45 ASN HD22 . . 4.500 4.064 4.034 4.096 . 0 0 "[ . 1 . 2]" 1
1018 1 45 ASN HA 1 48 TYR H . . 4.580 3.416 3.208 3.727 . 0 0 "[ . 1 . 2]" 1
1019 1 45 ASN HA 1 48 TYR QD . . 4.910 3.247 2.873 3.683 . 0 0 "[ . 1 . 2]" 1
1020 1 45 ASN HA 1 49 ASP H . . 4.980 4.398 4.187 4.525 . 0 0 "[ . 1 . 2]" 1
1021 1 45 ASN HB2 1 46 ASP H . . 4.560 2.947 2.884 3.072 . 0 0 "[ . 1 . 2]" 1
1022 1 45 ASN HB2 1 46 ASP HB3 . . 5.360 5.234 5.153 5.329 . 0 0 "[ . 1 . 2]" 1
1023 1 45 ASN HB2 1 47 TYR H . . 5.500 5.261 5.069 5.351 . 0 0 "[ . 1 . 2]" 1
1024 1 45 ASN HB3 1 46 ASP H . . 4.470 3.636 3.553 3.773 . 0 0 "[ . 1 . 2]" 1
1025 1 46 ASP H 1 46 ASP HB2 . . 3.760 2.497 2.402 2.535 . 0 0 "[ . 1 . 2]" 1
1026 1 46 ASP H 1 46 ASP HB3 . . 3.610 2.460 2.407 2.540 . 0 0 "[ . 1 . 2]" 1
1027 1 46 ASP H 1 47 TYR H . . 4.120 2.598 2.420 2.679 . 0 0 "[ . 1 . 2]" 1
1028 1 46 ASP HA 1 48 TYR H . . 5.500 4.553 4.456 4.674 . 0 0 "[ . 1 . 2]" 1
1029 1 46 ASP HA 1 49 ASP H . . 4.320 3.404 3.259 3.561 . 0 0 "[ . 1 . 2]" 1
1030 1 46 ASP HA 1 49 ASP HB2 . . 4.500 3.029 2.833 3.203 . 0 0 "[ . 1 . 2]" 1
1031 1 46 ASP HA 1 49 ASP HB3 . . 4.480 2.557 2.357 2.854 . 0 0 "[ . 1 . 2]" 1
1032 1 46 ASP HA 1 50 LYS H . . 5.140 5.002 4.704 5.224 0.084 4 0 "[ . 1 . 2]" 1
1033 1 46 ASP HA 1 50 LYS QD . . 4.880 4.705 4.013 4.947 0.067 16 0 "[ . 1 . 2]" 1
1034 1 46 ASP HB2 1 47 TYR H . . 4.060 3.964 3.827 4.127 0.067 10 0 "[ . 1 . 2]" 1
1035 1 46 ASP HB3 1 47 TYR H . . 4.180 2.734 2.559 3.221 . 0 0 "[ . 1 . 2]" 1
1036 1 47 TYR H 1 47 TYR HB2 . . 4.000 2.465 2.366 2.726 . 0 0 "[ . 1 . 2]" 1
1037 1 47 TYR H 1 47 TYR HB3 . . 3.900 2.383 2.325 2.453 . 0 0 "[ . 1 . 2]" 1
1038 1 47 TYR H 1 47 TYR QD . . 4.570 4.131 4.108 4.161 . 0 0 "[ . 1 . 2]" 1
1039 1 47 TYR H 1 48 TYR H . . 3.900 2.605 2.229 2.727 . 0 0 "[ . 1 . 2]" 1
1040 1 47 TYR H 1 48 TYR HB2 . . 5.500 4.774 4.364 4.926 . 0 0 "[ . 1 . 2]" 1
1041 1 47 TYR HA 1 47 TYR QD . . 3.700 3.103 2.947 3.254 . 0 0 "[ . 1 . 2]" 1
1042 1 47 TYR HA 1 48 TYR QD . . 5.060 5.110 5.093 5.125 0.065 9 0 "[ . 1 . 2]" 1
1043 1 47 TYR HA 1 49 ASP H . . 5.050 3.619 3.437 3.731 . 0 0 "[ . 1 . 2]" 1
1044 1 47 TYR HA 1 50 LYS H . . 4.860 3.320 2.946 3.454 . 0 0 "[ . 1 . 2]" 1
1045 1 47 TYR HA 1 50 LYS HB3 . . 4.700 4.027 3.548 4.707 0.007 17 0 "[ . 1 . 2]" 1
1046 1 47 TYR HA 1 50 LYS QE . . 3.370 3.451 3.232 3.540 0.170 7 0 "[ . 1 . 2]" 1
1047 1 47 TYR HA 1 51 GLU H . . 4.790 4.366 3.328 4.816 0.026 18 0 "[ . 1 . 2]" 1
1048 1 47 TYR HA 1 51 GLU HG2 . . 5.050 4.569 3.657 5.146 0.096 7 0 "[ . 1 . 2]" 1
1049 1 47 TYR HA 1 51 GLU HG3 . . 5.010 4.723 4.332 5.111 0.101 17 0 "[ . 1 . 2]" 1
1050 1 47 TYR HB2 1 48 TYR H . . 4.370 3.927 3.834 4.006 . 0 0 "[ . 1 . 2]" 1
1051 1 47 TYR HB2 1 49 ASP H . . 5.080 5.222 5.174 5.260 0.180 8 0 "[ . 1 . 2]" 1
1052 1 47 TYR HB3 1 48 TYR H . . 4.500 2.656 2.524 2.753 . 0 0 "[ . 1 . 2]" 1
1053 1 47 TYR QD 1 48 TYR H . . 3.940 3.352 3.300 3.408 . 0 0 "[ . 1 . 2]" 1
1054 1 47 TYR QD 1 48 TYR HA . . 5.040 3.286 2.935 3.478 . 0 0 "[ . 1 . 2]" 1
1055 1 47 TYR QD 1 48 TYR QD . . 4.080 2.132 2.048 2.210 . 0 0 "[ . 1 . 2]" 1
1056 1 47 TYR QD 1 49 ASP H . . 5.500 4.979 4.666 5.102 . 0 0 "[ . 1 . 2]" 1
1057 1 47 TYR QD 1 51 GLU H . . 5.480 4.744 3.512 5.164 . 0 0 "[ . 1 . 2]" 1
1058 1 47 TYR QD 1 51 GLU HG3 . . 4.910 3.490 2.671 3.806 . 0 0 "[ . 1 . 2]" 1
1059 1 47 TYR QE 1 48 TYR H . . 5.490 5.584 5.551 5.604 0.114 10 0 "[ . 1 . 2]" 1
1060 1 47 TYR QE 1 48 TYR QD . . 4.110 3.563 3.394 3.913 . 0 0 "[ . 1 . 2]" 1
1061 1 47 TYR QE 1 51 GLU HG2 . . 5.300 3.598 2.437 4.431 . 0 0 "[ . 1 . 2]" 1
1062 1 47 TYR QE 1 51 GLU HG3 . . 4.040 3.505 2.355 4.122 0.082 15 0 "[ . 1 . 2]" 1
1063 1 48 TYR H 1 48 TYR HB2 . . 4.050 2.441 2.410 2.485 . 0 0 "[ . 1 . 2]" 1
1064 1 48 TYR H 1 48 TYR HB3 . . 3.970 3.599 3.579 3.613 . 0 0 "[ . 1 . 2]" 1
1065 1 48 TYR H 1 48 TYR QD . . 4.030 3.079 2.843 3.227 . 0 0 "[ . 1 . 2]" 1
1066 1 48 TYR H 1 48 TYR QE . . 5.410 4.640 4.454 4.741 . 0 0 "[ . 1 . 2]" 1
1067 1 48 TYR H 1 49 ASP H . . 3.790 2.578 2.532 2.637 . 0 0 "[ . 1 . 2]" 1
1068 1 48 TYR H 1 49 ASP HA . . 5.330 5.183 5.129 5.244 . 0 0 "[ . 1 . 2]" 1
1069 1 48 TYR H 1 49 ASP HB2 . . 4.710 4.772 4.725 4.808 0.098 16 0 "[ . 1 . 2]" 1
1070 1 48 TYR H 1 49 ASP HB3 . . 5.500 4.819 4.698 5.006 . 0 0 "[ . 1 . 2]" 1
1071 1 48 TYR H 1 50 LYS H . . 5.460 4.108 4.049 4.194 . 0 0 "[ . 1 . 2]" 1
1072 1 48 TYR HA 1 48 TYR QD . . 3.510 2.025 1.984 2.096 . 0 0 "[ . 1 . 2]" 1
1073 1 48 TYR HA 1 48 TYR QE . . 5.070 4.391 4.360 4.446 . 0 0 "[ . 1 . 2]" 1
1074 1 48 TYR HA 1 50 LYS H . . 5.420 3.629 3.444 3.773 . 0 0 "[ . 1 . 2]" 1
1075 1 48 TYR HB2 1 49 ASP H . . 4.830 3.360 3.160 3.503 . 0 0 "[ . 1 . 2]" 1
1076 1 48 TYR HB3 1 49 ASP H . . 4.610 4.184 4.078 4.265 . 0 0 "[ . 1 . 2]" 1
1077 1 48 TYR QD 1 49 ASP H . . 4.800 4.623 4.544 4.680 . 0 0 "[ . 1 . 2]" 1
1078 1 49 ASP H 1 49 ASP HB2 . . 3.510 2.664 2.548 2.732 . 0 0 "[ . 1 . 2]" 1
1079 1 49 ASP H 1 49 ASP HB3 . . 3.600 2.458 2.350 2.579 . 0 0 "[ . 1 . 2]" 1
1080 1 49 ASP H 1 50 LYS H . . 3.770 2.344 2.259 2.417 . 0 0 "[ . 1 . 2]" 1
1081 1 49 ASP H 1 50 LYS HA . . 5.050 5.003 4.919 5.121 0.071 4 0 "[ . 1 . 2]" 1
1082 1 49 ASP H 1 51 GLU H . . 4.920 3.995 3.823 4.224 . 0 0 "[ . 1 . 2]" 1
1083 1 49 ASP HA 1 50 LYS HB2 . . 5.390 5.396 5.245 5.539 0.149 10 0 "[ . 1 . 2]" 1
1084 1 49 ASP HA 1 51 GLU H . . 5.130 4.507 4.206 5.219 0.089 15 0 "[ . 1 . 2]" 1
1085 1 49 ASP HB2 1 50 LYS H . . 4.330 4.241 4.169 4.328 . 0 0 "[ . 1 . 2]" 1
1086 1 49 ASP HB2 1 50 LYS QD . . 5.050 4.693 3.774 5.230 0.180 15 0 "[ . 1 . 2]" 1
1087 1 49 ASP HB3 1 50 LYS H . . 4.410 3.313 3.185 3.515 . 0 0 "[ . 1 . 2]" 1
1088 1 49 ASP HB3 1 50 LYS QE . . 4.360 2.922 1.966 3.822 . 0 0 "[ . 1 . 2]" 1
1089 1 49 ASP HB3 1 50 LYS QG . . 4.910 4.889 4.450 4.983 0.073 18 0 "[ . 1 . 2]" 1
1090 1 50 LYS H 1 50 LYS HB2 . . 3.750 2.225 2.120 2.335 . 0 0 "[ . 1 . 2]" 1
1091 1 50 LYS H 1 50 LYS HB3 . . 3.810 3.362 3.212 3.538 . 0 0 "[ . 1 . 2]" 1
1092 1 50 LYS H 1 50 LYS QD . . 4.330 3.277 2.246 3.927 . 0 0 "[ . 1 . 2]" 1
1093 1 50 LYS H 1 50 LYS QE . . 4.810 3.390 2.346 4.325 . 0 0 "[ . 1 . 2]" 1
1094 1 50 LYS H 1 50 LYS HG2 . . 4.920 4.431 3.899 4.709 . 0 0 "[ . 1 . 2]" 1
1095 1 50 LYS H 1 50 LYS QG . . 4.120 3.943 3.586 4.116 . 0 0 "[ . 1 . 2]" 1
1096 1 50 LYS H 1 51 GLU H . . 3.440 2.131 1.991 2.264 . 0 0 "[ . 1 . 2]" 1
1097 1 50 LYS HA 1 50 LYS QD . . 3.570 2.396 2.038 3.646 0.076 15 0 "[ . 1 . 2]" 1
1098 1 50 LYS HA 1 50 LYS QE . . 4.370 3.615 2.147 4.313 . 0 0 "[ . 1 . 2]" 1
1099 1 50 LYS HA 1 50 LYS QG . . 3.780 2.419 2.161 2.647 . 0 0 "[ . 1 . 2]" 1
1100 1 50 LYS HA 1 52 ILE H . . 5.240 4.361 3.229 5.300 0.060 11 0 "[ . 1 . 2]" 1
1101 1 50 LYS HB2 1 50 LYS QE . . 4.940 2.597 2.141 3.791 . 0 0 "[ . 1 . 2]" 1
1102 1 50 LYS HB2 1 51 GLU H . . 3.940 3.215 2.672 3.822 . 0 0 "[ . 1 . 2]" 1
1103 1 50 LYS HB2 1 51 GLU HG3 . . 4.650 4.628 4.131 4.749 0.099 8 0 "[ . 1 . 2]" 1
1104 1 50 LYS HB3 1 50 LYS QE . . 4.360 3.718 3.530 4.226 . 0 0 "[ . 1 . 2]" 1
1105 1 50 LYS QD 1 51 GLU H . . 4.950 4.714 3.983 5.092 0.142 6 0 "[ . 1 . 2]" 1
1106 1 50 LYS QE 1 50 LYS QG . . 3.370 2.240 2.090 2.613 . 0 0 "[ . 1 . 2]" 1
1107 1 50 LYS QG 1 51 GLU H . . 5.090 4.687 4.330 4.879 . 0 0 "[ . 1 . 2]" 1
1108 1 51 GLU H 1 51 GLU HB2 . . 3.580 2.906 2.245 3.743 0.163 12 0 "[ . 1 . 2]" 1
1109 1 51 GLU H 1 51 GLU HB3 . . 3.340 3.444 2.712 3.750 0.410 15 0 "[ . 1 . 2]" 1
1110 1 51 GLU H 1 51 GLU HG2 . . 3.850 2.640 2.203 3.222 . 0 0 "[ . 1 . 2]" 1
1111 1 51 GLU H 1 51 GLU HG3 . . 3.770 2.622 1.789 3.694 . 0 0 "[ . 1 . 2]" 1
1112 1 51 GLU H 1 52 ILE H . . 3.800 2.768 2.045 3.760 . 0 0 "[ . 1 . 2]" 1
1113 1 51 GLU H 1 52 ILE MD . . 5.120 4.717 3.878 5.158 0.038 12 0 "[ . 1 . 2]" 1
1114 1 51 GLU HA 1 51 GLU HG2 . . 4.090 3.063 2.384 4.185 0.095 19 0 "[ . 1 . 2]" 1
1115 1 51 GLU HA 1 51 GLU HG3 . . 4.030 3.604 3.082 3.800 . 0 0 "[ . 1 . 2]" 1
1116 1 51 GLU HB2 1 52 ILE H . . 3.990 3.370 2.546 4.213 0.223 19 0 "[ . 1 . 2]" 1
1117 1 51 GLU HB2 1 53 GLY H . . 5.030 4.413 3.070 5.091 0.061 6 0 "[ . 1 . 2]" 1
1118 1 51 GLU HB3 1 52 ILE H . . 4.460 4.103 3.620 4.460 0.000 15 0 "[ . 1 . 2]" 1
1119 1 51 GLU HG2 1 52 ILE H . . 4.940 4.753 4.236 5.147 0.207 9 0 "[ . 1 . 2]" 1
1120 1 51 GLU HG3 1 52 ILE H . . 4.760 4.511 2.975 4.857 0.097 8 0 "[ . 1 . 2]" 1
1121 1 52 ILE H 1 52 ILE HA . . 2.890 2.866 2.250 2.957 0.067 18 0 "[ . 1 . 2]" 1
1122 1 52 ILE H 1 52 ILE HB . . 3.310 2.586 2.397 3.477 0.167 8 0 "[ . 1 . 2]" 1
1123 1 52 ILE H 1 52 ILE MD . . 4.340 3.325 2.789 4.226 . 0 0 "[ . 1 . 2]" 1
1124 1 52 ILE H 1 52 ILE HG12 . . 3.720 2.300 1.861 3.756 0.036 18 0 "[ . 1 . 2]" 1
1125 1 52 ILE H 1 52 ILE HG13 . . 3.670 3.317 1.798 3.745 0.075 4 0 "[ . 1 . 2]" 1
1126 1 52 ILE H 1 52 ILE MG . . 4.050 3.780 3.732 3.982 . 0 0 "[ . 1 . 2]" 1
1127 1 52 ILE H 1 53 GLY H . . 3.420 2.469 1.928 2.773 . 0 0 "[ . 1 . 2]" 1
1128 1 52 ILE H 1 53 GLY QA . . 5.010 4.354 3.837 4.651 . 0 0 "[ . 1 . 2]" 1
1129 1 52 ILE H 1 54 THR MG . . 5.500 4.792 3.872 5.529 0.029 18 0 "[ . 1 . 2]" 1
1130 1 52 ILE HA 1 52 ILE HG12 . . 3.910 3.046 2.267 3.324 . 0 0 "[ . 1 . 2]" 1
1131 1 52 ILE HA 1 52 ILE HG13 . . 3.880 3.686 3.099 3.842 . 0 0 "[ . 1 . 2]" 1
1132 1 52 ILE HA 1 52 ILE MG . . 3.100 2.353 2.276 2.452 . 0 0 "[ . 1 . 2]" 1
1133 1 52 ILE HA 1 53 GLY H . . 3.620 3.438 3.151 3.592 . 0 0 "[ . 1 . 2]" 1
1134 1 52 ILE HB 1 52 ILE MD . . 3.450 3.107 2.447 3.265 . 0 0 "[ . 1 . 2]" 1
1135 1 52 ILE HB 1 53 GLY H . . 3.680 3.167 2.386 3.539 . 0 0 "[ . 1 . 2]" 1
1136 1 52 ILE HB 1 53 GLY QA . . 4.780 4.261 3.725 4.549 . 0 0 "[ . 1 . 2]" 1
1137 1 52 ILE MD 1 53 GLY H . . 5.140 4.696 4.365 5.243 0.103 8 0 "[ . 1 . 2]" 1
1138 1 52 ILE HG12 1 52 ILE MG . . 3.570 3.074 2.467 3.231 . 0 0 "[ . 1 . 2]" 1
1139 1 52 ILE HG12 1 53 GLY H . . 4.590 4.413 4.196 4.784 0.194 8 0 "[ . 1 . 2]" 1
1140 1 52 ILE HG13 1 52 ILE MG . . 3.470 2.493 2.275 3.240 . 0 0 "[ . 1 . 2]" 1
1141 1 52 ILE MG 1 53 GLY H . . 3.980 3.954 3.573 4.054 0.074 8 0 "[ . 1 . 2]" 1
1142 1 52 ILE MG 1 53 GLY QA . . 4.280 3.971 3.541 4.299 0.019 12 0 "[ . 1 . 2]" 1
1143 1 52 ILE MG 1 54 THR H . . 4.740 3.791 2.480 4.750 0.010 18 0 "[ . 1 . 2]" 1
1144 1 53 GLY H 1 54 THR MG . . 5.500 4.093 3.570 5.284 . 0 0 "[ . 1 . 2]" 1
1145 1 53 GLY H 1 55 PHE QD . . 5.500 5.138 2.277 5.564 0.064 18 0 "[ . 1 . 2]" 1
1146 1 53 GLY QA 1 54 THR H . . 2.960 2.926 2.311 2.981 0.021 4 0 "[ . 1 . 2]" 1
1147 1 53 GLY QA 1 54 THR HA . . 4.780 4.069 4.027 4.107 . 0 0 "[ . 1 . 2]" 1
1148 1 53 GLY QA 1 54 THR MG . . 4.320 4.125 3.800 4.347 0.027 7 0 "[ . 1 . 2]" 1
1149 1 53 GLY QA 1 55 PHE H . . 4.760 3.594 3.010 4.160 . 0 0 "[ . 1 . 2]" 1
1150 1 54 THR H 1 54 THR HB . . 3.270 3.041 2.564 3.325 0.055 4 0 "[ . 1 . 2]" 1
1151 1 54 THR H 1 54 THR MG . . 3.490 2.187 1.939 2.469 . 0 0 "[ . 1 . 2]" 1
1152 1 54 THR H 1 55 PHE H . . 3.230 2.429 2.097 2.996 . 0 0 "[ . 1 . 2]" 1
1153 1 54 THR H 1 55 PHE HA . . 5.230 4.427 4.048 4.944 . 0 0 "[ . 1 . 2]" 1
1154 1 54 THR H 1 55 PHE HB3 . . 5.500 4.511 3.538 5.507 0.007 18 0 "[ . 1 . 2]" 1
1155 1 54 THR HA 1 54 THR HB . . 2.690 2.488 2.459 2.535 . 0 0 "[ . 1 . 2]" 1
1156 1 54 THR HA 1 54 THR MG . . 3.200 3.226 3.203 3.241 0.041 4 0 "[ . 1 . 2]" 1
1157 1 54 THR HA 1 55 PHE H . . 2.790 2.926 2.854 3.030 0.240 18 0 "[ . 1 . 2]" 1
1158 1 54 THR HA 1 55 PHE HA . . 4.840 4.686 4.436 4.820 . 0 0 "[ . 1 . 2]" 1
1159 1 54 THR MG 1 55 PHE H . . 4.000 3.601 3.403 3.807 . 0 0 "[ . 1 . 2]" 1
1160 1 54 THR MG 1 55 PHE HA . . 4.920 3.776 3.466 4.305 . 0 0 "[ . 1 . 2]" 1
1161 1 54 THR MG 1 55 PHE HB2 . . 5.500 4.668 3.288 5.610 0.110 13 0 "[ . 1 . 2]" 1
1162 1 54 THR MG 1 55 PHE QD . . 4.850 4.606 3.811 4.859 0.009 3 0 "[ . 1 . 2]" 1
1163 1 55 PHE H 1 55 PHE HB2 . . 3.400 2.883 2.219 3.547 0.147 7 0 "[ . 1 . 2]" 1
1164 1 55 PHE H 1 55 PHE HB3 . . 3.230 2.745 2.406 3.414 0.184 18 0 "[ . 1 . 2]" 1
1165 1 55 PHE H 1 55 PHE QD . . 4.050 3.379 1.705 4.242 0.192 17 0 "[ . 1 . 2]" 1
1166 1 55 PHE H 1 56 THR H . . 3.580 2.457 1.774 3.632 0.052 17 0 "[ . 1 . 2]" 1
1167 1 55 PHE H 1 56 THR MG . . 4.910 4.083 3.318 5.047 0.137 17 0 "[ . 1 . 2]" 1
1168 1 55 PHE HA 1 55 PHE QD . . 3.480 3.180 2.228 3.716 0.236 1 0 "[ . 1 . 2]" 1
1169 1 55 PHE HA 1 56 THR HA . . 4.650 4.643 4.444 4.695 0.045 5 0 "[ . 1 . 2]" 1
1170 1 55 PHE HA 1 56 THR MG . . 4.770 4.692 3.599 4.863 0.093 11 0 "[ . 1 . 2]" 1
1171 1 55 PHE HA 1 57 ASP H . . 4.830 3.639 3.251 4.664 . 0 0 "[ . 1 . 2]" 1
1172 1 55 PHE HB2 1 56 THR H . . 3.740 3.591 2.877 3.947 0.207 1 0 "[ . 1 . 2]" 1
1173 1 55 PHE HB2 1 56 THR MG . . 5.390 4.102 2.739 4.819 . 0 0 "[ . 1 . 2]" 1
1174 1 55 PHE HB2 1 57 ASP H . . 5.020 4.959 4.550 5.197 0.177 20 0 "[ . 1 . 2]" 1
1175 1 55 PHE HB3 1 56 THR H . . 3.980 3.220 2.177 4.142 0.162 13 0 "[ . 1 . 2]" 1
1176 1 55 PHE HB3 1 56 THR HA . . 5.180 4.799 4.180 5.489 0.309 11 0 "[ . 1 . 2]" 1
1177 1 55 PHE HB3 1 57 ASP H . . 5.500 4.869 3.423 5.519 0.019 11 0 "[ . 1 . 2]" 1
1178 1 55 PHE QD 1 56 THR H . . 4.170 3.382 2.108 4.208 0.038 5 0 "[ . 1 . 2]" 1
1179 1 55 PHE QD 1 56 THR HA . . 4.690 3.946 3.228 4.712 0.022 18 0 "[ . 1 . 2]" 1
1180 1 55 PHE QD 1 56 THR MG . . 5.270 2.794 2.156 3.604 . 0 0 "[ . 1 . 2]" 1
1181 1 55 PHE QD 1 57 ASP H . . 5.500 4.986 4.340 5.505 0.005 4 0 "[ . 1 . 2]" 1
1182 1 56 THR H 1 56 THR HB . . 3.470 3.550 2.798 3.664 0.194 14 0 "[ . 1 . 2]" 1
1183 1 56 THR H 1 56 THR MG . . 3.600 2.420 1.759 3.036 . 0 0 "[ . 1 . 2]" 1
1184 1 56 THR H 1 57 ASP H . . 3.270 2.833 1.971 3.239 . 0 0 "[ . 1 . 2]" 1
1185 1 56 THR H 1 57 ASP HA . . 5.270 4.921 4.011 5.306 0.036 7 0 "[ . 1 . 2]" 1
1186 1 56 THR HA 1 56 THR HB . . 2.720 2.515 2.405 2.561 . 0 0 "[ . 1 . 2]" 1
1187 1 56 THR HA 1 56 THR MG . . 3.080 2.408 2.284 3.212 0.132 4 0 "[ . 1 . 2]" 1
1188 1 56 THR HA 1 57 ASP H . . 2.720 2.870 2.794 2.925 0.205 19 0 "[ . 1 . 2]" 1
1189 1 56 THR HA 1 57 ASP HB3 . . 5.500 5.385 4.379 5.526 0.026 3 0 "[ . 1 . 2]" 1
1190 1 56 THR HB 1 58 GLU H . . 5.060 5.005 4.491 5.174 0.114 20 0 "[ . 1 . 2]" 1
1191 1 57 ASP H 1 57 ASP HB2 . . 3.680 2.925 2.457 3.641 . 0 0 "[ . 1 . 2]" 1
1192 1 57 ASP H 1 57 ASP HB3 . . 3.240 2.702 2.487 3.409 0.169 11 0 "[ . 1 . 2]" 1
1193 1 57 ASP H 1 58 GLU HG2 . . 5.500 3.683 2.928 5.534 0.034 20 0 "[ . 1 . 2]" 1
1194 1 57 ASP HA 1 57 ASP HB2 . . 3.010 2.513 2.385 2.563 . 0 0 "[ . 1 . 2]" 1
1195 1 57 ASP HA 1 57 ASP HB3 . . 3.010 2.922 2.393 3.046 0.036 16 0 "[ . 1 . 2]" 1
1196 1 57 ASP HA 1 58 GLU H . . 2.980 3.006 2.003 3.189 0.209 17 0 "[ . 1 . 2]" 1
1197 1 57 ASP HA 1 58 GLU HA . . 4.440 4.531 4.171 4.613 0.173 11 0 "[ . 1 . 2]" 1
1198 1 57 ASP HB2 1 58 GLU H . . 4.020 4.187 3.643 4.351 0.331 11 0 "[ . 1 . 2]" 1
1199 1 57 ASP HB3 1 58 GLU H . . 4.230 3.804 3.490 4.330 0.100 20 0 "[ . 1 . 2]" 1
1200 1 58 GLU H 1 58 GLU HB2 . . 3.670 2.820 2.263 3.865 0.195 11 0 "[ . 1 . 2]" 1
1201 1 58 GLU H 1 58 GLU HB3 . . 3.260 3.398 2.761 3.702 0.442 20 0 "[ . 1 . 2]" 1
1202 1 58 GLU H 1 58 GLU HG2 . . 4.180 2.657 2.036 3.685 . 0 0 "[ . 1 . 2]" 1
1203 1 58 GLU H 1 58 GLU HG3 . . 4.310 3.620 2.087 4.323 0.013 11 0 "[ . 1 . 2]" 1
1204 1 58 GLU H 1 59 VAL H . . 3.740 2.555 2.284 2.966 . 0 0 "[ . 1 . 2]" 1
1205 1 58 GLU HA 1 58 GLU HG2 . . 4.060 3.226 2.817 4.218 0.158 9 0 "[ . 1 . 2]" 1
1206 1 58 GLU HA 1 58 GLU HG3 . . 4.230 3.749 3.684 3.813 . 0 0 "[ . 1 . 2]" 1
1207 1 58 GLU HA 1 59 VAL H . . 2.830 2.971 2.865 3.036 0.206 7 0 "[ . 1 . 2]" 1
1208 1 58 GLU HA 1 59 VAL QG . . 4.840 4.204 3.299 4.523 . 0 0 "[ . 1 . 2]" 1
1209 1 58 GLU HB2 1 58 GLU HG2 . . 2.600 2.635 2.473 2.991 0.391 11 0 "[ . 1 . 2]" 1
1210 1 58 GLU HB2 1 59 VAL H . . 4.590 3.991 3.725 4.532 . 0 0 "[ . 1 . 2]" 1
1211 1 58 GLU HB3 1 58 GLU HG3 . . 3.030 2.641 2.468 3.049 0.019 11 0 "[ . 1 . 2]" 1
1212 1 58 GLU HB3 1 59 VAL H . . 4.510 4.399 4.283 4.597 0.087 11 0 "[ . 1 . 2]" 1
1213 1 58 GLU HG3 1 59 VAL H . . 5.500 5.176 3.871 5.743 0.243 20 0 "[ . 1 . 2]" 1
1214 1 59 VAL H 1 59 VAL HB . . 3.610 3.143 2.618 3.778 0.168 7 0 "[ . 1 . 2]" 1
1215 1 59 VAL H 1 59 VAL QG . . 3.810 2.413 1.821 3.022 . 0 0 "[ . 1 . 2]" 1
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