NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453659 |
2yt6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yt6
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 1935
_Distance_constraint_stats_list.Viol_count 1208
_Distance_constraint_stats_list.Viol_total 432.832
_Distance_constraint_stats_list.Viol_max 0.513
_Distance_constraint_stats_list.Viol_rms 0.0091
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0179
_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 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.209 0.111 18 0 "[ . 1 . 2]"
1 20 PRO 0.201 0.111 18 0 "[ . 1 . 2]"
1 21 THR 0.034 0.013 13 0 "[ . 1 . 2]"
1 22 GLY 0.021 0.013 13 0 "[ . 1 . 2]"
1 23 LEU 0.314 0.104 13 0 "[ . 1 . 2]"
1 24 THR 0.218 0.176 17 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.021 0.008 18 0 "[ . 1 . 2]"
1 28 THR 0.037 0.008 18 0 "[ . 1 . 2]"
1 29 ILE 0.361 0.015 2 0 "[ . 1 . 2]"
1 30 PHE 0.410 0.025 3 0 "[ . 1 . 2]"
1 31 VAL 0.975 0.034 11 0 "[ . 1 . 2]"
1 32 ALA 0.688 0.034 11 0 "[ . 1 . 2]"
1 33 LEU 0.165 0.013 12 0 "[ . 1 . 2]"
1 34 TYR 0.104 0.013 12 0 "[ . 1 . 2]"
1 35 ASP 0.017 0.006 13 0 "[ . 1 . 2]"
1 36 TYR 0.274 0.020 9 0 "[ . 1 . 2]"
1 37 GLU 0.031 0.008 10 0 "[ . 1 . 2]"
1 38 ALA 0.157 0.020 10 0 "[ . 1 . 2]"
1 39 ARG 0.052 0.013 7 0 "[ . 1 . 2]"
1 40 THR 0.069 0.013 7 0 "[ . 1 . 2]"
1 41 THR 0.029 0.013 19 0 "[ . 1 . 2]"
1 42 GLU 0.034 0.006 10 0 "[ . 1 . 2]"
1 43 ASP 0.044 0.008 10 0 "[ . 1 . 2]"
1 44 LEU 1.460 0.081 15 0 "[ . 1 . 2]"
1 45 SER 0.177 0.035 19 0 "[ . 1 . 2]"
1 46 PHE 0.438 0.035 19 0 "[ . 1 . 2]"
1 47 LYS 0.020 0.008 6 0 "[ . 1 . 2]"
1 48 LYS 0.007 0.004 6 0 "[ . 1 . 2]"
1 49 GLY 0.008 0.003 20 0 "[ . 1 . 2]"
1 50 GLU 0.150 0.028 10 0 "[ . 1 . 2]"
1 51 ARG 0.095 0.011 18 0 "[ . 1 . 2]"
1 52 PHE 0.262 0.022 19 0 "[ . 1 . 2]"
1 53 GLN 0.014 0.005 20 0 "[ . 1 . 2]"
1 54 ILE 0.133 0.035 12 0 "[ . 1 . 2]"
1 55 ILE 0.067 0.009 4 0 "[ . 1 . 2]"
1 56 ASN 0.041 0.007 12 0 "[ . 1 . 2]"
1 57 ASN 0.043 0.035 12 0 "[ . 1 . 2]"
1 58 THR 0.045 0.019 20 0 "[ . 1 . 2]"
1 59 GLU 0.118 0.019 20 0 "[ . 1 . 2]"
1 60 GLY 7.303 0.513 12 2 "[ . 1-+ . 2]"
1 61 ASP 7.232 0.513 12 2 "[ . 1-+ . 2]"
1 62 TRP 0.175 0.016 15 0 "[ . 1 . 2]"
1 63 TRP 0.150 0.009 9 0 "[ . 1 . 2]"
1 64 GLU 0.023 0.007 12 0 "[ . 1 . 2]"
1 65 ALA 0.613 0.081 15 0 "[ . 1 . 2]"
1 66 ARG 0.143 0.015 9 0 "[ . 1 . 2]"
1 67 SER 0.252 0.039 15 0 "[ . 1 . 2]"
1 68 ILE 0.091 0.016 15 0 "[ . 1 . 2]"
1 69 ALA 0.008 0.003 10 0 "[ . 1 . 2]"
1 70 THR 0.116 0.033 15 0 "[ . 1 . 2]"
1 71 GLY 0.101 0.033 15 0 "[ . 1 . 2]"
1 72 LYS 0.525 0.058 10 0 "[ . 1 . 2]"
1 73 SER 0.582 0.047 15 0 "[ . 1 . 2]"
1 74 GLY 0.231 0.047 15 0 "[ . 1 . 2]"
1 75 TYR 0.086 0.013 15 0 "[ . 1 . 2]"
1 76 ILE 1.167 0.066 9 0 "[ . 1 . 2]"
1 77 PRO 0.980 0.066 9 0 "[ . 1 . 2]"
1 78 SER 0.044 0.011 16 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.450 0.020 9 0 "[ . 1 . 2]"
1 81 VAL 0.265 0.032 16 0 "[ . 1 . 2]"
1 82 VAL 0.824 0.032 16 0 "[ . 1 . 2]"
1 83 PRO 0.476 0.022 3 0 "[ . 1 . 2]"
1 84 ALA 0.624 0.027 10 0 "[ . 1 . 2]"
1 85 ASP 1.186 0.075 20 0 "[ . 1 . 2]"
1 86 SER 1.466 0.044 11 0 "[ . 1 . 2]"
1 87 ILE 2.862 0.076 20 0 "[ . 1 . 2]"
1 88 GLN 0.397 0.075 11 0 "[ . 1 . 2]"
1 89 ALA 0.613 0.038 8 0 "[ . 1 . 2]"
1 90 GLU 0.692 0.038 8 0 "[ . 1 . 2]"
1 91 GLU 1.330 0.098 6 0 "[ . 1 . 2]"
1 92 TRP 3.028 0.077 11 0 "[ . 1 . 2]"
1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.039 0.014 13 0 "[ . 1 . 2]"
1 97 MET 0.041 0.014 13 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 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 30 PHE HA 1 84 ALA H . . 3.340 2.878 2.850 2.890 . 0 0 "[ . 1 . 2]" 1
2 1 53 GLN HA 1 54 ILE H . . 3.040 2.145 2.141 2.153 . 0 0 "[ . 1 . 2]" 1
3 1 54 ILE H 1 54 ILE HB . . 3.310 2.588 2.548 2.622 . 0 0 "[ . 1 . 2]" 1
4 1 54 ILE H 1 54 ILE HG12 . . 3.610 2.053 1.989 2.204 . 0 0 "[ . 1 . 2]" 1
5 1 31 VAL HA 1 32 ALA H . . 2.930 2.245 2.229 2.263 . 0 0 "[ . 1 . 2]" 1
6 1 31 VAL MG1 1 32 ALA H . . 3.250 2.049 1.940 2.200 . 0 0 "[ . 1 . 2]" 1
7 1 28 THR HA 1 29 ILE H . . 2.940 2.174 2.151 2.208 . 0 0 "[ . 1 . 2]" 1
8 1 29 ILE H 1 29 ILE HB . . 3.290 2.313 2.306 2.323 . 0 0 "[ . 1 . 2]" 1
9 1 37 GLU HA 1 38 ALA H . . 2.820 2.140 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
10 1 38 ALA H 1 45 SER HB3 . . 4.080 2.911 2.256 3.778 . 0 0 "[ . 1 . 2]" 1
11 1 29 ILE H 1 29 ILE HG12 . . 3.510 2.678 2.632 2.726 . 0 0 "[ . 1 . 2]" 1
12 1 32 ALA HA 1 33 LEU H . . 3.310 2.145 2.142 2.153 . 0 0 "[ . 1 . 2]" 1
13 1 62 TRP HA 1 63 TRP H . . 3.010 2.182 2.158 2.210 . 0 0 "[ . 1 . 2]" 1
14 1 62 TRP HB3 1 63 TRP H . . 3.480 3.119 2.989 3.251 . 0 0 "[ . 1 . 2]" 1
15 1 49 GLY H 1 50 GLU H . . 3.540 2.125 2.039 2.199 . 0 0 "[ . 1 . 2]" 1
16 1 50 GLU H 1 50 GLU HB2 . . 3.130 2.743 2.628 2.896 . 0 0 "[ . 1 . 2]" 1
17 1 32 ALA MB 1 50 GLU H . . 3.040 2.301 2.207 2.399 . 0 0 "[ . 1 . 2]" 1
18 1 63 TRP HA 1 64 GLU H . . 3.100 2.229 2.183 2.292 . 0 0 "[ . 1 . 2]" 1
19 1 88 GLN HA 1 89 ALA H . . 3.480 3.440 3.399 3.487 0.007 11 0 "[ . 1 . 2]" 1
20 1 87 ILE HA 1 89 ALA H . . 3.800 3.396 3.319 3.524 . 0 0 "[ . 1 . 2]" 1
21 1 88 GLN HB2 1 89 ALA H . . 4.070 3.980 3.878 4.064 . 0 0 "[ . 1 . 2]" 1
22 1 88 GLN HB3 1 89 ALA H . . 4.280 4.168 4.062 4.258 . 0 0 "[ . 1 . 2]" 1
23 1 56 ASN HB3 1 64 GLU H . . 3.760 3.072 2.891 3.224 . 0 0 "[ . 1 . 2]" 1
24 1 63 TRP HB2 1 64 GLU H . . 4.230 4.051 3.913 4.190 . 0 0 "[ . 1 . 2]" 1
25 1 64 GLU H 1 64 GLU HB2 . . 3.600 2.695 2.586 2.800 . 0 0 "[ . 1 . 2]" 1
26 1 18 SER HA 1 19 TYR H . . 3.190 2.262 2.138 2.650 . 0 0 "[ . 1 . 2]" 1
27 1 19 TYR H 1 19 TYR HB3 . . 4.010 2.781 2.200 3.277 . 0 0 "[ . 1 . 2]" 1
28 1 19 TYR H 1 19 TYR HB2 . . 4.010 3.679 2.259 4.012 0.002 7 0 "[ . 1 . 2]" 1
29 1 87 ILE H 1 88 GLN H . . 4.310 4.298 4.288 4.316 0.006 11 0 "[ . 1 . 2]" 1
30 1 87 ILE HA 1 88 GLN H . . 3.060 2.173 2.170 2.175 . 0 0 "[ . 1 . 2]" 1
31 1 88 GLN H 1 88 GLN HB2 . . 3.800 3.603 3.590 3.610 . 0 0 "[ . 1 . 2]" 1
32 1 88 GLN H 1 88 GLN HB3 . . 3.260 2.719 2.678 2.785 . 0 0 "[ . 1 . 2]" 1
33 1 58 THR HB 1 59 GLU H . . 3.950 3.894 3.795 3.969 0.019 20 0 "[ . 1 . 2]" 1
34 1 58 THR HA 1 59 GLU H . . 3.560 3.544 3.509 3.563 0.003 1 0 "[ . 1 . 2]" 1
35 1 59 GLU H 1 59 GLU HG2 . . 3.590 3.025 1.904 3.561 . 0 0 "[ . 1 . 2]" 1
36 1 59 GLU H 1 59 GLU HG3 . . 3.590 2.795 2.147 3.595 0.005 3 0 "[ . 1 . 2]" 1
37 1 59 GLU H 1 59 GLU HB3 . . 3.690 3.476 2.992 3.669 . 0 0 "[ . 1 . 2]" 1
38 1 38 ALA HA 1 39 ARG H . . 3.110 2.153 2.142 2.165 . 0 0 "[ . 1 . 2]" 1
39 1 39 ARG H 1 39 ARG HB3 . . 4.000 3.550 3.499 3.591 . 0 0 "[ . 1 . 2]" 1
40 1 68 ILE HB 1 69 ALA H . . 3.600 2.804 2.084 3.110 . 0 0 "[ . 1 . 2]" 1
41 1 71 GLY H 1 72 LYS H . . 3.260 2.115 1.838 2.522 . 0 0 "[ . 1 . 2]" 1
42 1 72 LYS H 1 72 LYS HB3 . . 3.750 3.597 3.558 3.657 . 0 0 "[ . 1 . 2]" 1
43 1 87 ILE H 1 87 ILE HB . . 3.200 3.057 3.024 3.079 . 0 0 "[ . 1 . 2]" 1
44 1 72 LYS H 1 72 LYS HG3 . . 3.600 2.459 2.210 2.681 . 0 0 "[ . 1 . 2]" 1
45 1 77 PRO HA 1 78 SER H . . 3.020 2.153 2.150 2.163 . 0 0 "[ . 1 . 2]" 1
46 1 43 ASP HA 1 44 LEU H . . 3.050 2.293 2.200 2.392 . 0 0 "[ . 1 . 2]" 1
47 1 44 LEU H 1 75 TYR HB2 . . 4.100 3.589 3.377 3.801 . 0 0 "[ . 1 . 2]" 1
48 1 44 LEU H 1 44 LEU HB3 . . 3.610 2.829 2.801 2.869 . 0 0 "[ . 1 . 2]" 1
49 1 44 LEU H 1 44 LEU HB2 . . 3.540 2.467 2.389 2.614 . 0 0 "[ . 1 . 2]" 1
50 1 47 LYS HA 1 48 LYS H . . 3.040 2.406 2.337 2.484 . 0 0 "[ . 1 . 2]" 1
51 1 48 LYS H 1 48 LYS HB2 . . 3.300 2.686 2.608 2.783 . 0 0 "[ . 1 . 2]" 1
52 1 48 LYS H 1 48 LYS HB3 . . 3.300 2.372 2.287 2.446 . 0 0 "[ . 1 . 2]" 1
53 1 66 ARG HA 1 67 SER H . . 3.130 2.162 2.151 2.173 . 0 0 "[ . 1 . 2]" 1
54 1 67 SER H 1 67 SER HB3 . . 3.730 3.126 2.277 3.578 . 0 0 "[ . 1 . 2]" 1
55 1 35 ASP HB3 1 36 TYR H . . 4.210 4.103 3.463 4.212 0.002 8 0 "[ . 1 . 2]" 1
56 1 36 TYR H 1 36 TYR HB3 . . 3.630 2.604 2.486 2.701 . 0 0 "[ . 1 . 2]" 1
57 1 61 ASP H 1 62 TRP H . . 3.280 2.957 2.742 3.160 . 0 0 "[ . 1 . 2]" 1
58 1 62 TRP H 1 62 TRP HD1 . . 3.620 2.883 2.727 3.097 . 0 0 "[ . 1 . 2]" 1
59 1 62 TRP H 1 62 TRP HB2 . . 3.220 2.803 2.650 2.924 . 0 0 "[ . 1 . 2]" 1
60 1 28 THR H 1 29 ILE H . . 4.550 4.438 4.349 4.482 . 0 0 "[ . 1 . 2]" 1
61 1 27 VAL HA 1 28 THR H . . 2.760 2.216 2.181 2.268 . 0 0 "[ . 1 . 2]" 1
62 1 28 THR H 1 28 THR HB . . 3.300 2.726 2.670 2.864 . 0 0 "[ . 1 . 2]" 1
63 1 27 VAL MG1 1 28 THR H . . 3.500 2.185 2.003 2.404 . 0 0 "[ . 1 . 2]" 1
64 1 91 GLU H 1 92 TRP H . . 3.270 2.927 2.890 2.946 . 0 0 "[ . 1 . 2]" 1
65 1 92 TRP H 1 93 TYR H . . 3.380 2.722 2.698 2.746 . 0 0 "[ . 1 . 2]" 1
66 1 92 TRP H 1 92 TRP HB3 . . 2.870 2.483 2.466 2.500 . 0 0 "[ . 1 . 2]" 1
67 1 91 GLU HB2 1 92 TRP H . . 3.420 2.836 2.743 2.924 . 0 0 "[ . 1 . 2]" 1
68 1 43 ASP H 1 43 ASP HB2 . . 3.540 2.320 2.183 2.452 . 0 0 "[ . 1 . 2]" 1
69 1 50 GLU HA 1 51 ARG H . . 2.830 2.197 2.170 2.258 . 0 0 "[ . 1 . 2]" 1
70 1 51 ARG H 1 51 ARG HG2 . . 3.630 3.482 3.257 3.634 0.004 15 0 "[ . 1 . 2]" 1
71 1 51 ARG H 1 51 ARG HB3 . . 3.900 3.628 3.594 3.687 . 0 0 "[ . 1 . 2]" 1
72 1 51 ARG H 1 51 ARG HB2 . . 3.510 2.420 2.352 2.565 . 0 0 "[ . 1 . 2]" 1
73 1 89 ALA HA 1 91 GLU H . . 3.560 3.132 3.093 3.155 . 0 0 "[ . 1 . 2]" 1
74 1 91 GLU H 1 91 GLU HG2 . . 4.250 3.293 2.512 3.623 . 0 0 "[ . 1 . 2]" 1
75 1 97 MET H 1 97 MET HB2 . . 4.070 2.572 2.173 4.003 . 0 0 "[ . 1 . 2]" 1
76 1 92 TRP HB2 1 93 TYR H . . 4.000 3.663 3.621 3.694 . 0 0 "[ . 1 . 2]" 1
77 1 92 TRP HB3 1 93 TYR H . . 4.390 3.797 3.764 3.836 . 0 0 "[ . 1 . 2]" 1
78 1 93 TYR H 1 93 TYR HB2 . . 3.580 3.561 3.547 3.573 . 0 0 "[ . 1 . 2]" 1
79 1 31 VAL H 1 31 VAL HB . . 3.560 2.487 2.472 2.510 . 0 0 "[ . 1 . 2]" 1
80 1 31 VAL H 1 82 VAL H . . 3.430 2.900 2.773 2.998 . 0 0 "[ . 1 . 2]" 1
81 1 30 PHE HA 1 31 VAL H . . 3.050 2.227 2.215 2.241 . 0 0 "[ . 1 . 2]" 1
82 1 30 PHE HB3 1 31 VAL H . . 3.560 2.995 2.949 3.049 . 0 0 "[ . 1 . 2]" 1
83 1 31 VAL H 1 31 VAL MG2 . . 3.250 3.147 3.126 3.178 . 0 0 "[ . 1 . 2]" 1
84 1 79 ASN H 1 80 TYR H . . 3.000 2.441 2.337 2.782 . 0 0 "[ . 1 . 2]" 1
85 1 80 TYR H 1 81 VAL H . . 2.950 1.936 1.892 2.115 . 0 0 "[ . 1 . 2]" 1
86 1 80 TYR H 1 80 TYR HB2 . . 3.640 2.412 2.294 2.443 . 0 0 "[ . 1 . 2]" 1
87 1 93 TYR H 1 94 PHE H . . 3.520 2.391 2.359 2.428 . 0 0 "[ . 1 . 2]" 1
88 1 94 PHE H 1 94 PHE HB2 . . 3.420 2.185 2.177 2.194 . 0 0 "[ . 1 . 2]" 1
89 1 93 TYR HB3 1 94 PHE H . . 3.730 3.676 3.656 3.688 . 0 0 "[ . 1 . 2]" 1
90 1 53 GLN H 1 53 GLN HB2 . . 3.430 2.240 2.214 2.301 . 0 0 "[ . 1 . 2]" 1
91 1 52 PHE HA 1 53 GLN H . . 3.020 2.193 2.173 2.236 . 0 0 "[ . 1 . 2]" 1
92 1 43 ASP HA 1 75 TYR H . . 3.070 2.194 2.024 2.380 . 0 0 "[ . 1 . 2]" 1
93 1 74 GLY HA2 1 75 TYR H . . 3.400 3.074 2.989 3.147 . 0 0 "[ . 1 . 2]" 1
94 1 74 GLY HA3 1 75 TYR H . . 3.380 2.180 2.153 2.222 . 0 0 "[ . 1 . 2]" 1
95 1 75 TYR H 1 75 TYR HB2 . . 3.330 2.749 2.694 2.790 . 0 0 "[ . 1 . 2]" 1
96 1 46 PHE HA 1 47 LYS H . . 3.030 2.394 2.285 2.509 . 0 0 "[ . 1 . 2]" 1
97 1 46 PHE HB3 1 47 LYS H . . 3.840 3.709 3.568 3.845 0.005 9 0 "[ . 1 . 2]" 1
98 1 46 PHE HB2 1 47 LYS H . . 3.420 2.455 2.199 2.734 . 0 0 "[ . 1 . 2]" 1
99 1 47 LYS H 1 47 LYS HB3 . . 3.910 3.769 3.682 3.828 . 0 0 "[ . 1 . 2]" 1
100 1 90 GLU H 1 90 GLU HA . . 2.900 2.669 2.666 2.673 . 0 0 "[ . 1 . 2]" 1
101 1 90 GLU H 1 90 GLU HB3 . . 3.170 2.752 2.747 2.763 . 0 0 "[ . 1 . 2]" 1
102 1 89 ALA MB 1 90 GLU H . . 3.580 3.606 3.594 3.618 0.038 8 0 "[ . 1 . 2]" 1
103 1 27 VAL H 1 27 VAL MG2 . . 2.940 2.565 2.339 2.831 . 0 0 "[ . 1 . 2]" 1
104 1 27 VAL H 1 27 VAL HB . . 3.140 2.576 2.443 2.666 . 0 0 "[ . 1 . 2]" 1
105 1 42 GLU H 1 43 ASP H . . 3.020 2.594 2.377 2.927 . 0 0 "[ . 1 . 2]" 1
106 1 90 GLU H 1 90 GLU HG3 . . 3.790 3.022 1.854 3.430 . 0 0 "[ . 1 . 2]" 1
107 1 42 GLU H 1 42 GLU HB3 . . 3.730 3.270 2.220 3.606 . 0 0 "[ . 1 . 2]" 1
108 1 87 ILE HB 1 90 GLU H . . 3.830 3.046 2.942 3.168 . 0 0 "[ . 1 . 2]" 1
109 1 53 GLN H 1 66 ARG H . . 3.570 2.898 2.737 2.998 . 0 0 "[ . 1 . 2]" 1
110 1 65 ALA HA 1 66 ARG H . . 3.150 2.385 2.301 2.463 . 0 0 "[ . 1 . 2]" 1
111 1 34 TYR HA 1 35 ASP H . . 3.280 2.268 2.202 2.328 . 0 0 "[ . 1 . 2]" 1
112 1 35 ASP H 1 35 ASP HB2 . . 3.810 3.530 2.592 3.621 . 0 0 "[ . 1 . 2]" 1
113 1 52 PHE H 1 52 PHE QD . . 3.720 3.081 2.939 3.187 . 0 0 "[ . 1 . 2]" 1
114 1 51 ARG HA 1 52 PHE H . . 3.040 2.381 2.318 2.416 . 0 0 "[ . 1 . 2]" 1
115 1 29 ILE MG 1 52 PHE H . . 3.870 3.838 3.711 3.877 0.007 14 0 "[ . 1 . 2]" 1
116 1 36 TYR H 1 46 PHE H . . 4.300 4.149 3.750 4.306 0.006 3 0 "[ . 1 . 2]" 1
117 1 56 ASN H 1 64 GLU H . . 3.690 3.203 3.130 3.306 . 0 0 "[ . 1 . 2]" 1
118 1 55 ILE H 1 56 ASN H . . 3.170 2.488 2.431 2.560 . 0 0 "[ . 1 . 2]" 1
119 1 56 ASN H 1 56 ASN HB3 . . 3.660 3.021 2.945 3.098 . 0 0 "[ . 1 . 2]" 1
120 1 56 ASN H 1 64 GLU HB3 . . 3.620 2.523 2.472 2.594 . 0 0 "[ . 1 . 2]" 1
121 1 55 ILE HB 1 56 ASN H . . 3.390 2.394 2.250 2.486 . 0 0 "[ . 1 . 2]" 1
122 1 85 ASP H 1 85 ASP HB2 . . 4.140 2.774 2.459 3.676 . 0 0 "[ . 1 . 2]" 1
123 1 85 ASP H 1 85 ASP HB3 . . 4.140 3.101 2.298 3.685 . 0 0 "[ . 1 . 2]" 1
124 1 45 SER H 1 45 SER HB3 . . 3.730 2.937 2.201 3.626 . 0 0 "[ . 1 . 2]" 1
125 1 44 LEU HB3 1 45 SER H . . 4.010 3.895 3.836 3.967 . 0 0 "[ . 1 . 2]" 1
126 1 72 LYS HA 1 73 SER H . . 2.680 2.528 2.450 2.552 . 0 0 "[ . 1 . 2]" 1
127 1 72 LYS HB3 1 73 SER H . . 3.780 2.180 2.131 2.332 . 0 0 "[ . 1 . 2]" 1
128 1 48 LYS HG3 1 49 GLY H . . 3.690 3.281 3.039 3.460 . 0 0 "[ . 1 . 2]" 1
129 1 86 SER H 1 86 SER HB3 . . 3.650 3.535 3.528 3.544 . 0 0 "[ . 1 . 2]" 1
130 1 85 ASP H 1 86 SER H . . 3.500 2.238 2.201 2.266 . 0 0 "[ . 1 . 2]" 1
131 1 85 ASP HA 1 86 SER H . . 3.540 3.535 3.528 3.537 . 0 0 "[ . 1 . 2]" 1
132 1 86 SER H 1 86 SER HB2 . . 3.640 2.343 2.332 2.363 . 0 0 "[ . 1 . 2]" 1
133 1 20 PRO HA 1 21 THR H . . 2.990 2.334 2.176 2.707 . 0 0 "[ . 1 . 2]" 1
134 1 21 THR H 1 21 THR HB . . 3.860 3.488 2.325 3.873 0.013 13 0 "[ . 1 . 2]" 1
135 1 23 LEU HA 1 24 THR H . . 3.430 2.740 2.138 3.432 0.002 15 0 "[ . 1 . 2]" 1
136 1 75 TYR HA 1 76 ILE H . . 3.060 2.144 2.138 2.156 . 0 0 "[ . 1 . 2]" 1
137 1 75 TYR HB3 1 76 ILE H . . 3.590 3.385 3.248 3.592 0.002 19 0 "[ . 1 . 2]" 1
138 1 81 VAL HA 1 82 VAL H . . 3.090 2.230 2.187 2.290 . 0 0 "[ . 1 . 2]" 1
139 1 81 VAL HB 1 82 VAL H . . 3.500 2.870 2.678 3.036 . 0 0 "[ . 1 . 2]" 1
140 1 58 THR H 1 59 GLU H . . 3.180 2.445 2.300 2.679 . 0 0 "[ . 1 . 2]" 1
141 1 57 ASN H 1 58 THR H . . 3.240 2.794 2.590 2.913 . 0 0 "[ . 1 . 2]" 1
142 1 57 ASN HA 1 58 THR H . . 3.290 2.770 2.715 2.865 . 0 0 "[ . 1 . 2]" 1
143 1 58 THR H 1 58 THR HB . . 3.290 2.741 2.598 2.921 . 0 0 "[ . 1 . 2]" 1
144 1 58 THR H 1 58 THR MG . . 3.210 1.922 1.863 2.146 . 0 0 "[ . 1 . 2]" 1
145 1 33 LEU H 1 34 TYR H . . 3.180 2.409 2.299 2.478 . 0 0 "[ . 1 . 2]" 1
146 1 32 ALA MB 1 34 TYR H . . 3.420 3.393 3.310 3.425 0.005 8 0 "[ . 1 . 2]" 1
147 1 39 ARG H 1 40 THR H . . 3.180 2.688 2.445 2.766 . 0 0 "[ . 1 . 2]" 1
148 1 40 THR HB 1 41 THR H . . 3.780 2.596 1.966 3.578 . 0 0 "[ . 1 . 2]" 1
149 1 73 SER HA 1 74 GLY H . . 2.940 2.215 2.165 2.242 . 0 0 "[ . 1 . 2]" 1
150 1 59 GLU HA 1 60 GLY H . . 2.500 2.180 2.142 2.210 . 0 0 "[ . 1 . 2]" 1
151 1 59 GLU HB2 1 60 GLY H . . 4.480 4.215 3.412 4.496 0.016 13 0 "[ . 1 . 2]" 1
152 1 30 PHE H 1 54 ILE HG12 . . 4.600 4.138 4.013 4.256 . 0 0 "[ . 1 . 2]" 1
153 1 29 ILE HB 1 30 PHE H . . 4.360 4.179 4.075 4.253 . 0 0 "[ . 1 . 2]" 1
154 1 30 PHE H 1 52 PHE HB2 . . 4.770 4.736 4.609 4.777 0.007 8 0 "[ . 1 . 2]" 1
155 1 30 PHE H 1 30 PHE HB2 . . 3.570 2.658 2.607 2.711 . 0 0 "[ . 1 . 2]" 1
156 1 29 ILE HA 1 30 PHE H . . 3.010 2.194 2.167 2.238 . 0 0 "[ . 1 . 2]" 1
157 1 30 PHE H 1 30 PHE QD . . 3.910 3.283 3.248 3.302 . 0 0 "[ . 1 . 2]" 1
158 1 30 PHE H 1 31 VAL H . . 4.630 4.361 4.325 4.384 . 0 0 "[ . 1 . 2]" 1
159 1 30 PHE H 1 52 PHE H . . 3.810 2.936 2.874 3.010 . 0 0 "[ . 1 . 2]" 1
160 1 31 VAL H 1 33 LEU MD2 . . 5.500 4.585 4.430 4.783 . 0 0 "[ . 1 . 2]" 1
161 1 31 VAL H 1 81 VAL HB . . 4.130 3.765 3.673 3.845 . 0 0 "[ . 1 . 2]" 1
162 1 31 VAL H 1 83 PRO HA . . 4.090 3.697 3.640 3.754 . 0 0 "[ . 1 . 2]" 1
163 1 30 PHE QD 1 31 VAL H . . 4.330 3.766 3.712 3.868 . 0 0 "[ . 1 . 2]" 1
164 1 31 VAL H 1 32 ALA H . . 4.680 4.472 4.456 4.483 . 0 0 "[ . 1 . 2]" 1
165 1 32 ALA H 1 52 PHE QD . . 4.310 4.101 3.902 4.237 . 0 0 "[ . 1 . 2]" 1
166 1 32 ALA H 1 52 PHE QE . . 4.070 3.417 3.163 3.581 . 0 0 "[ . 1 . 2]" 1
167 1 32 ALA H 1 49 GLY H . . 4.450 3.298 3.166 3.407 . 0 0 "[ . 1 . 2]" 1
168 1 32 ALA H 1 33 LEU H . . 4.550 4.370 4.318 4.427 . 0 0 "[ . 1 . 2]" 1
169 1 33 LEU H 1 33 LEU HB2 . . 3.750 2.723 2.658 2.772 . 0 0 "[ . 1 . 2]" 1
170 1 33 LEU H 1 34 TYR QD . . 4.890 4.135 4.023 4.271 . 0 0 "[ . 1 . 2]" 1
171 1 34 TYR H 1 81 VAL MG1 . . 4.790 4.534 4.437 4.661 . 0 0 "[ . 1 . 2]" 1
172 1 33 LEU HB3 1 34 TYR H . . 4.180 3.983 3.898 4.064 . 0 0 "[ . 1 . 2]" 1
173 1 33 LEU HB2 1 34 TYR H . . 3.820 2.753 2.681 2.842 . 0 0 "[ . 1 . 2]" 1
174 1 33 LEU HG 1 34 TYR H . . 4.390 3.894 3.804 3.986 . 0 0 "[ . 1 . 2]" 1
175 1 34 TYR H 1 34 TYR HB3 . . 3.900 3.777 3.761 3.792 . 0 0 "[ . 1 . 2]" 1
176 1 34 TYR H 1 34 TYR HB2 . . 3.900 2.898 2.868 2.921 . 0 0 "[ . 1 . 2]" 1
177 1 34 TYR H 1 34 TYR QD . . 3.690 2.778 2.651 2.995 . 0 0 "[ . 1 . 2]" 1
178 1 34 TYR H 1 46 PHE QE . . 4.600 4.303 4.183 4.398 . 0 0 "[ . 1 . 2]" 1
179 1 34 TYR H 1 81 VAL HA . . 4.830 4.680 4.604 4.779 . 0 0 "[ . 1 . 2]" 1
180 1 34 TYR H 1 35 ASP H . . 4.630 4.488 4.449 4.508 . 0 0 "[ . 1 . 2]" 1
181 1 35 ASP H 1 48 LYS HG3 . . 5.480 5.036 4.589 5.331 . 0 0 "[ . 1 . 2]" 1
182 1 35 ASP H 1 48 LYS HB3 . . 4.500 4.133 3.928 4.364 . 0 0 "[ . 1 . 2]" 1
183 1 35 ASP H 1 47 LYS HA . . 5.430 5.159 4.867 5.317 . 0 0 "[ . 1 . 2]" 1
184 1 36 TYR H 1 36 TYR HB2 . . 3.880 3.180 3.021 3.369 . 0 0 "[ . 1 . 2]" 1
185 1 35 ASP HB2 1 36 TYR H . . 4.210 3.412 3.110 4.212 0.002 1 0 "[ . 1 . 2]" 1
186 1 36 TYR H 1 47 LYS HA . . 3.720 2.765 2.517 3.113 . 0 0 "[ . 1 . 2]" 1
187 1 36 TYR H 1 36 TYR QD . . 4.530 4.240 4.137 4.301 . 0 0 "[ . 1 . 2]" 1
188 1 36 TYR H 1 46 PHE QD . . 4.210 3.535 3.329 3.726 . 0 0 "[ . 1 . 2]" 1
189 1 36 TYR H 1 46 PHE QE . . 4.080 3.801 3.482 3.991 . 0 0 "[ . 1 . 2]" 1
190 1 35 ASP H 1 36 TYR H . . 4.760 4.494 4.389 4.584 . 0 0 "[ . 1 . 2]" 1
191 1 36 TYR H 1 48 LYS H . . 4.510 4.257 4.093 4.442 . 0 0 "[ . 1 . 2]" 1
192 1 36 TYR HB3 1 37 GLU H . . 4.410 3.636 3.526 3.883 . 0 0 "[ . 1 . 2]" 1
193 1 37 GLU H 1 37 GLU HB2 . . 3.400 3.035 2.816 3.295 . 0 0 "[ . 1 . 2]" 1
194 1 37 GLU H 1 37 GLU HG2 . . 5.500 4.711 4.407 5.011 . 0 0 "[ . 1 . 2]" 1
195 1 37 GLU H 1 37 GLU HG3 . . 5.500 4.663 4.360 5.013 . 0 0 "[ . 1 . 2]" 1
196 1 36 TYR HB2 1 37 GLU H . . 4.030 3.705 3.627 3.922 . 0 0 "[ . 1 . 2]" 1
197 1 36 TYR HA 1 37 GLU H . . 2.790 2.421 2.278 2.462 . 0 0 "[ . 1 . 2]" 1
198 1 36 TYR QE 1 37 GLU H . . 4.480 3.561 3.462 3.906 . 0 0 "[ . 1 . 2]" 1
199 1 36 TYR QD 1 37 GLU H . . 3.730 2.800 2.700 3.097 . 0 0 "[ . 1 . 2]" 1
200 1 37 GLU H 1 38 ALA H . . 4.500 4.192 4.135 4.296 . 0 0 "[ . 1 . 2]" 1
201 1 36 TYR H 1 37 GLU H . . 4.760 4.471 4.427 4.509 . 0 0 "[ . 1 . 2]" 1
202 1 37 GLU HB2 1 38 ALA H . . 4.600 4.391 4.246 4.466 . 0 0 "[ . 1 . 2]" 1
203 1 38 ALA H 1 45 SER HB2 . . 4.080 3.136 2.065 4.082 0.002 14 0 "[ . 1 . 2]" 1
204 1 38 ALA H 1 45 SER HA . . 3.830 2.279 2.106 2.417 . 0 0 "[ . 1 . 2]" 1
205 1 36 TYR QE 1 38 ALA H . . 4.730 3.849 3.635 4.138 . 0 0 "[ . 1 . 2]" 1
206 1 36 TYR QD 1 38 ALA H . . 4.920 3.818 3.730 3.930 . 0 0 "[ . 1 . 2]" 1
207 1 36 TYR QE 1 39 ARG H . . 4.280 3.129 2.929 3.336 . 0 0 "[ . 1 . 2]" 1
208 1 38 ALA H 1 39 ARG H . . 4.640 4.408 4.357 4.511 . 0 0 "[ . 1 . 2]" 1
209 1 39 ARG H 1 43 ASP H . . 4.980 4.957 4.761 4.985 0.005 4 0 "[ . 1 . 2]" 1
210 1 39 ARG H 1 43 ASP HB2 . . 4.460 2.759 2.479 2.908 . 0 0 "[ . 1 . 2]" 1
211 1 39 ARG H 1 43 ASP HB3 . . 4.830 2.998 2.622 3.389 . 0 0 "[ . 1 . 2]" 1
212 1 39 ARG H 1 39 ARG HB2 . . 4.000 2.324 2.200 2.631 . 0 0 "[ . 1 . 2]" 1
213 1 39 ARG H 1 39 ARG HG2 . . 4.030 3.788 2.691 4.035 0.005 4 0 "[ . 1 . 2]" 1
214 1 39 ARG H 1 40 THR MG . . 4.490 4.374 3.971 4.491 0.001 8 0 "[ . 1 . 2]" 1
215 1 38 ALA MB 1 40 THR H . . 3.590 3.403 2.786 3.592 0.002 5 0 "[ . 1 . 2]" 1
216 1 39 ARG HB3 1 40 THR H . . 4.250 3.428 3.179 4.085 . 0 0 "[ . 1 . 2]" 1
217 1 39 ARG HB2 1 40 THR H . . 4.250 2.690 2.551 3.079 . 0 0 "[ . 1 . 2]" 1
218 1 38 ALA HA 1 40 THR H . . 3.940 3.847 3.462 3.949 0.009 10 0 "[ . 1 . 2]" 1
219 1 40 THR H 1 41 THR H . . 4.970 4.423 4.341 4.476 . 0 0 "[ . 1 . 2]" 1
220 1 40 THR H 1 42 GLU H . . 5.420 4.506 4.125 4.935 . 0 0 "[ . 1 . 2]" 1
221 1 42 GLU H 1 43 ASP HB2 . . 4.970 4.669 4.439 4.915 . 0 0 "[ . 1 . 2]" 1
222 1 40 THR MG 1 42 GLU H . . 4.410 4.015 2.633 4.413 0.003 7 0 "[ . 1 . 2]" 1
223 1 41 THR MG 1 42 GLU H . . 4.410 2.655 1.961 3.880 . 0 0 "[ . 1 . 2]" 1
224 1 42 GLU HB3 1 43 ASP H . . 4.350 3.791 3.585 4.018 . 0 0 "[ . 1 . 2]" 1
225 1 42 GLU HB2 1 43 ASP H . . 4.350 3.042 2.400 4.258 . 0 0 "[ . 1 . 2]" 1
226 1 41 THR HA 1 43 ASP H . . 4.690 4.216 3.909 4.463 . 0 0 "[ . 1 . 2]" 1
227 1 40 THR H 1 43 ASP H . . 4.130 3.125 2.952 3.320 . 0 0 "[ . 1 . 2]" 1
228 1 43 ASP H 1 75 TYR H . . 4.950 4.562 4.380 4.757 . 0 0 "[ . 1 . 2]" 1
229 1 43 ASP HB3 1 44 LEU H . . 3.310 2.750 2.518 3.040 . 0 0 "[ . 1 . 2]" 1
230 1 36 TYR QE 1 44 LEU H . . 4.240 4.104 3.782 4.245 0.005 4 0 "[ . 1 . 2]" 1
231 1 43 ASP H 1 44 LEU H . . 4.740 4.609 4.573 4.624 . 0 0 "[ . 1 . 2]" 1
232 1 44 LEU H 1 75 TYR H . . 3.800 1.963 1.798 2.262 . 0 0 "[ . 1 . 2]" 1
233 1 38 ALA MB 1 45 SER H . . 3.660 2.561 2.329 2.758 . 0 0 "[ . 1 . 2]" 1
234 1 44 LEU HB2 1 45 SER H . . 4.510 4.386 4.354 4.429 . 0 0 "[ . 1 . 2]" 1
235 1 44 LEU HG 1 45 SER H . . 4.310 4.029 3.805 4.159 . 0 0 "[ . 1 . 2]" 1
236 1 38 ALA H 1 45 SER H . . 4.660 4.371 3.955 4.584 . 0 0 "[ . 1 . 2]" 1
237 1 44 LEU H 1 45 SER H . . 4.600 4.469 4.383 4.506 . 0 0 "[ . 1 . 2]" 1
238 1 45 SER H 1 46 PHE QD . . 4.770 4.425 4.126 4.611 . 0 0 "[ . 1 . 2]" 1
239 1 36 TYR HB3 1 46 PHE H . . 3.970 3.532 3.486 3.592 . 0 0 "[ . 1 . 2]" 1
240 1 37 GLU HA 1 46 PHE H . . 4.190 3.793 3.440 3.991 . 0 0 "[ . 1 . 2]" 1
241 1 36 TYR QE 1 46 PHE H . . 5.500 4.840 4.385 5.075 . 0 0 "[ . 1 . 2]" 1
242 1 46 PHE H 1 52 PHE QE . . 5.500 5.196 5.080 5.356 . 0 0 "[ . 1 . 2]" 1
243 1 36 TYR QD 1 46 PHE H . . 3.860 2.967 2.590 3.182 . 0 0 "[ . 1 . 2]" 1
244 1 46 PHE H 1 46 PHE QD . . 3.880 2.647 2.318 2.898 . 0 0 "[ . 1 . 2]" 1
245 1 46 PHE H 1 46 PHE QE . . 4.930 4.024 3.771 4.219 . 0 0 "[ . 1 . 2]" 1
246 1 45 SER H 1 46 PHE H . . 4.550 4.423 4.361 4.585 0.035 19 0 "[ . 1 . 2]" 1
247 1 38 ALA H 1 46 PHE H . . 4.380 3.856 3.747 4.001 . 0 0 "[ . 1 . 2]" 1
248 1 47 LYS H 1 48 LYS H . . 4.790 4.464 4.429 4.520 . 0 0 "[ . 1 . 2]" 1
249 1 47 LYS H 1 47 LYS HG2 . . 3.700 3.125 2.932 3.473 . 0 0 "[ . 1 . 2]" 1
250 1 47 LYS H 1 50 GLU HG3 . . 4.700 4.600 4.442 4.708 0.008 6 0 "[ . 1 . 2]" 1
251 1 47 LYS H 1 50 GLU HG2 . . 4.700 4.142 3.284 4.699 . 0 0 "[ . 1 . 2]" 1
252 1 47 LYS H 1 50 GLU HB2 . . 3.800 2.715 2.619 2.824 . 0 0 "[ . 1 . 2]" 1
253 1 47 LYS H 1 52 PHE HZ . . 4.840 2.575 2.392 2.776 . 0 0 "[ . 1 . 2]" 1
254 1 46 PHE QD 1 47 LYS H . . 3.960 3.608 3.337 3.950 . 0 0 "[ . 1 . 2]" 1
255 1 46 PHE H 1 47 LYS H . . 4.760 4.438 4.386 4.473 . 0 0 "[ . 1 . 2]" 1
256 1 47 LYS HB3 1 48 LYS H . . 3.830 2.426 2.252 2.586 . 0 0 "[ . 1 . 2]" 1
257 1 35 ASP HB3 1 48 LYS H . . 5.040 2.369 2.054 3.122 . 0 0 "[ . 1 . 2]" 1
258 1 35 ASP H 1 48 LYS H . . 4.190 4.088 3.840 4.192 0.002 18 0 "[ . 1 . 2]" 1
259 1 31 VAL MG1 1 49 GLY H . . 3.880 3.128 2.986 3.248 . 0 0 "[ . 1 . 2]" 1
260 1 48 LYS HB3 1 49 GLY H . . 4.560 4.433 4.388 4.500 . 0 0 "[ . 1 . 2]" 1
261 1 33 LEU HA 1 49 GLY H . . 4.760 4.040 3.960 4.219 . 0 0 "[ . 1 . 2]" 1
262 1 34 TYR H 1 49 GLY H . . 5.470 5.286 5.149 5.418 . 0 0 "[ . 1 . 2]" 1
263 1 50 GLU H 1 50 GLU HG2 . . 4.820 4.715 4.617 4.848 0.028 10 0 "[ . 1 . 2]" 1
264 1 31 VAL HA 1 50 GLU H . . 4.950 4.444 4.225 4.619 . 0 0 "[ . 1 . 2]" 1
265 1 50 GLU H 1 52 PHE QE . . 5.230 3.556 3.448 3.649 . 0 0 "[ . 1 . 2]" 1
266 1 46 PHE QD 1 50 GLU H . . 5.280 5.108 4.965 5.213 . 0 0 "[ . 1 . 2]" 1
267 1 47 LYS H 1 50 GLU H . . 4.600 4.332 4.090 4.602 0.002 11 0 "[ . 1 . 2]" 1
268 1 32 ALA H 1 50 GLU H . . 4.270 2.746 2.550 2.907 . 0 0 "[ . 1 . 2]" 1
269 1 51 ARG H 1 51 ARG HG3 . . 3.760 2.825 2.681 2.934 . 0 0 "[ . 1 . 2]" 1
270 1 50 GLU HB3 1 51 ARG H . . 3.880 3.796 3.718 3.874 . 0 0 "[ . 1 . 2]" 1
271 1 50 GLU HG2 1 51 ARG H . . 4.040 3.148 2.617 4.045 0.005 4 0 "[ . 1 . 2]" 1
272 1 50 GLU HB2 1 51 ARG H . . 4.440 4.270 4.088 4.354 . 0 0 "[ . 1 . 2]" 1
273 1 51 ARG H 1 51 ARG HD2 . . 4.900 4.716 4.609 4.810 . 0 0 "[ . 1 . 2]" 1
274 1 31 VAL MG2 1 51 ARG H . . 4.360 4.322 4.119 4.371 0.011 18 0 "[ . 1 . 2]" 1
275 1 50 GLU H 1 51 ARG H . . 4.530 4.444 4.372 4.486 . 0 0 "[ . 1 . 2]" 1
276 1 51 ARG H 1 52 PHE H . . 4.660 4.572 4.549 4.586 . 0 0 "[ . 1 . 2]" 1
277 1 52 PHE H 1 68 ILE HG13 . . 4.430 4.241 3.997 4.416 . 0 0 "[ . 1 . 2]" 1
278 1 51 ARG HB3 1 52 PHE H . . 4.030 2.482 2.394 2.645 . 0 0 "[ . 1 . 2]" 1
279 1 51 ARG HG2 1 52 PHE H . . 4.560 4.047 3.886 4.300 . 0 0 "[ . 1 . 2]" 1
280 1 52 PHE H 1 52 PHE HB2 . . 3.810 3.042 2.973 3.102 . 0 0 "[ . 1 . 2]" 1
281 1 52 PHE H 1 52 PHE HB3 . . 4.140 3.994 3.960 4.017 . 0 0 "[ . 1 . 2]" 1
282 1 29 ILE HA 1 52 PHE H . . 4.690 4.401 4.307 4.493 . 0 0 "[ . 1 . 2]" 1
283 1 52 PHE H 1 52 PHE QE . . 5.140 4.981 4.888 5.096 . 0 0 "[ . 1 . 2]" 1
284 1 53 GLN H 1 54 ILE MD . . 5.110 4.952 4.736 5.072 . 0 0 "[ . 1 . 2]" 1
285 1 27 VAL MG1 1 53 GLN H . . 5.370 4.689 4.323 5.282 . 0 0 "[ . 1 . 2]" 1
286 1 53 GLN H 1 65 ALA MB . . 4.480 3.442 3.331 3.573 . 0 0 "[ . 1 . 2]" 1
287 1 53 GLN H 1 68 ILE HG13 . . 4.240 2.996 2.826 3.163 . 0 0 "[ . 1 . 2]" 1
288 1 53 GLN H 1 66 ARG HB3 . . 4.520 4.019 3.915 4.151 . 0 0 "[ . 1 . 2]" 1
289 1 53 GLN H 1 53 GLN HG2 . . 4.450 4.188 4.079 4.280 . 0 0 "[ . 1 . 2]" 1
290 1 53 GLN H 1 53 GLN HG3 . . 3.770 2.999 2.801 3.147 . 0 0 "[ . 1 . 2]" 1
291 1 52 PHE HB3 1 53 GLN H . . 3.750 3.076 2.904 3.158 . 0 0 "[ . 1 . 2]" 1
292 1 53 GLN H 1 67 SER HA . . 4.370 3.561 3.410 3.738 . 0 0 "[ . 1 . 2]" 1
293 1 52 PHE QD 1 53 GLN H . . 4.480 4.277 4.179 4.415 . 0 0 "[ . 1 . 2]" 1
294 1 53 GLN H 1 68 ILE H . . 4.360 4.119 3.914 4.244 . 0 0 "[ . 1 . 2]" 1
295 1 52 PHE H 1 53 GLN H . . 4.600 4.212 4.165 4.306 . 0 0 "[ . 1 . 2]" 1
296 1 54 ILE H 1 54 ILE HG13 . . 3.930 3.576 3.526 3.706 . 0 0 "[ . 1 . 2]" 1
297 1 29 ILE MD 1 54 ILE H . . 4.560 4.535 4.386 4.565 0.005 18 0 "[ . 1 . 2]" 1
298 1 27 VAL MG1 1 54 ILE H . . 4.700 2.569 2.144 3.378 . 0 0 "[ . 1 . 2]" 1
299 1 53 GLN HG2 1 54 ILE H . . 4.500 4.338 4.239 4.448 . 0 0 "[ . 1 . 2]" 1
300 1 53 GLN HG3 1 54 ILE H . . 4.740 4.686 4.616 4.737 . 0 0 "[ . 1 . 2]" 1
301 1 53 GLN HB3 1 54 ILE H . . 3.920 3.662 3.595 3.740 . 0 0 "[ . 1 . 2]" 1
302 1 30 PHE QD 1 54 ILE H . . 4.790 4.083 3.859 4.222 . 0 0 "[ . 1 . 2]" 1
303 1 53 GLN H 1 54 ILE H . . 4.530 4.378 4.328 4.407 . 0 0 "[ . 1 . 2]" 1
304 1 30 PHE H 1 54 ILE H . . 4.790 4.727 4.666 4.782 . 0 0 "[ . 1 . 2]" 1
305 1 54 ILE HA 1 55 ILE H . . 3.200 2.159 2.146 2.170 . 0 0 "[ . 1 . 2]" 1
306 1 55 ILE H 1 65 ALA HA . . 3.600 2.009 1.900 2.130 . 0 0 "[ . 1 . 2]" 1
307 1 55 ILE H 1 55 ILE HB . . 3.530 2.570 2.538 2.606 . 0 0 "[ . 1 . 2]" 1
308 1 55 ILE HG13 1 56 ASN H . . 4.560 4.104 4.052 4.142 . 0 0 "[ . 1 . 2]" 1
309 1 56 ASN H 1 64 GLU HG2 . . 3.990 3.840 3.626 3.989 . 0 0 "[ . 1 . 2]" 1
310 1 56 ASN H 1 56 ASN HB2 . . 3.800 2.901 2.811 2.980 . 0 0 "[ . 1 . 2]" 1
311 1 54 ILE HA 1 56 ASN H . . 4.170 3.981 3.860 4.155 . 0 0 "[ . 1 . 2]" 1
312 1 56 ASN H 1 65 ALA HA . . 4.400 4.020 3.946 4.075 . 0 0 "[ . 1 . 2]" 1
313 1 56 ASN H 1 63 TRP HA . . 5.300 5.128 5.026 5.256 . 0 0 "[ . 1 . 2]" 1
314 1 56 ASN H 1 57 ASN H . . 4.610 4.263 4.193 4.344 . 0 0 "[ . 1 . 2]" 1
315 1 54 ILE MG 1 57 ASN H . . 4.560 3.773 3.621 3.945 . 0 0 "[ . 1 . 2]" 1
316 1 56 ASN HB2 1 57 ASN H . . 4.660 4.407 4.345 4.448 . 0 0 "[ . 1 . 2]" 1
317 1 56 ASN HB3 1 57 ASN H . . 4.410 3.935 3.856 4.000 . 0 0 "[ . 1 . 2]" 1
318 1 54 ILE MG 1 58 THR H . . 5.360 5.337 5.214 5.364 0.004 18 0 "[ . 1 . 2]" 1
319 1 57 ASN HB3 1 58 THR H . . 4.680 4.620 4.335 4.654 . 0 0 "[ . 1 . 2]" 1
320 1 57 ASN HB2 1 58 THR H . . 4.680 4.456 4.378 4.480 . 0 0 "[ . 1 . 2]" 1
321 1 58 THR H 1 63 TRP HE1 . . 5.500 5.006 4.705 5.367 . 0 0 "[ . 1 . 2]" 1
322 1 58 THR H 1 63 TRP HD1 . . 4.600 3.938 3.673 4.269 . 0 0 "[ . 1 . 2]" 1
323 1 56 ASN HD22 1 58 THR H . . 4.700 4.649 4.459 4.700 0.000 1 0 "[ . 1 . 2]" 1
324 1 58 THR H 1 63 TRP HA . . 5.130 4.543 4.370 4.762 . 0 0 "[ . 1 . 2]" 1
325 1 58 THR H 1 59 GLU HA . . 5.500 5.101 4.989 5.252 . 0 0 "[ . 1 . 2]" 1
326 1 56 ASN HB3 1 58 THR H . . 4.610 3.623 3.501 3.779 . 0 0 "[ . 1 . 2]" 1
327 1 58 THR MG 1 59 GLU H . . 3.880 1.906 1.796 2.059 . 0 0 "[ . 1 . 2]" 1
328 1 57 ASN HA 1 59 GLU H . . 4.170 3.848 3.646 3.997 . 0 0 "[ . 1 . 2]" 1
329 1 59 GLU H 1 63 TRP HD1 . . 4.600 3.236 2.868 3.527 . 0 0 "[ . 1 . 2]" 1
330 1 59 GLU H 1 60 GLY H . . 4.370 4.251 4.138 4.382 0.012 5 0 "[ . 1 . 2]" 1
331 1 60 GLY H 1 61 ASP H . . 2.500 2.862 2.767 3.013 0.513 12 2 "[ . 1-+ . 2]" 1
332 1 60 GLY H 1 62 TRP H . . 4.850 4.680 4.463 4.849 . 0 0 "[ . 1 . 2]" 1
333 1 60 GLY H 1 63 TRP HD1 . . 5.110 4.812 4.549 4.969 . 0 0 "[ . 1 . 2]" 1
334 1 59 GLU HB3 1 60 GLY H . . 4.480 3.943 3.706 4.239 . 0 0 "[ . 1 . 2]" 1
335 1 62 TRP H 1 63 TRP HA . . 5.170 4.708 4.628 4.809 . 0 0 "[ . 1 . 2]" 1
336 1 62 TRP H 1 63 TRP HD1 . . 4.310 4.208 4.041 4.315 0.005 3 0 "[ . 1 . 2]" 1
337 1 62 TRP H 1 63 TRP H . . 4.620 4.303 4.231 4.385 . 0 0 "[ . 1 . 2]" 1
338 1 62 TRP H 1 63 TRP HE1 . . 5.400 5.165 4.966 5.371 . 0 0 "[ . 1 . 2]" 1
339 1 63 TRP H 1 76 ILE MD . . 4.960 4.787 4.650 4.948 . 0 0 "[ . 1 . 2]" 1
340 1 54 ILE MD 1 63 TRP H . . 5.500 5.319 5.143 5.502 0.002 15 0 "[ . 1 . 2]" 1
341 1 63 TRP H 1 81 VAL MG2 . . 4.950 4.907 4.779 4.957 0.007 20 0 "[ . 1 . 2]" 1
342 1 63 TRP H 1 76 ILE HG13 . . 4.600 3.361 3.181 3.566 . 0 0 "[ . 1 . 2]" 1
343 1 63 TRP H 1 76 ILE HG12 . . 4.600 4.128 3.762 4.422 . 0 0 "[ . 1 . 2]" 1
344 1 63 TRP H 1 78 SER HA . . 5.240 5.053 4.934 5.182 . 0 0 "[ . 1 . 2]" 1
345 1 63 TRP H 1 77 PRO HA . . 4.500 3.678 3.539 3.800 . 0 0 "[ . 1 . 2]" 1
346 1 63 TRP H 1 63 TRP HE3 . . 5.190 4.731 4.595 4.962 . 0 0 "[ . 1 . 2]" 1
347 1 63 TRP H 1 75 TYR QD . . 5.330 5.101 4.887 5.322 . 0 0 "[ . 1 . 2]" 1
348 1 62 TRP HE3 1 63 TRP H . . 4.390 4.320 3.985 4.395 0.005 9 0 "[ . 1 . 2]" 1
349 1 63 TRP H 1 63 TRP HD1 . . 4.580 3.877 3.693 4.013 . 0 0 "[ . 1 . 2]" 1
350 1 63 TRP H 1 78 SER H . . 4.380 3.693 3.478 3.904 . 0 0 "[ . 1 . 2]" 1
351 1 63 TRP H 1 64 GLU H . . 4.600 4.503 4.464 4.531 . 0 0 "[ . 1 . 2]" 1
352 1 54 ILE MG 1 64 GLU H . . 4.270 4.074 3.934 4.266 . 0 0 "[ . 1 . 2]" 1
353 1 64 GLU H 1 64 GLU HG2 . . 5.060 4.473 4.389 4.514 . 0 0 "[ . 1 . 2]" 1
354 1 64 GLU H 1 64 GLU HG3 . . 5.440 4.512 4.452 4.575 . 0 0 "[ . 1 . 2]" 1
355 1 64 GLU H 1 64 GLU HB3 . . 3.650 2.531 2.465 2.572 . 0 0 "[ . 1 . 2]" 1
356 1 63 TRP HB3 1 64 GLU H . . 4.230 2.931 2.727 3.116 . 0 0 "[ . 1 . 2]" 1
357 1 64 GLU H 1 75 TYR QD . . 4.970 3.694 3.483 3.888 . 0 0 "[ . 1 . 2]" 1
358 1 63 TRP HD1 1 64 GLU H . . 4.230 4.046 3.954 4.160 . 0 0 "[ . 1 . 2]" 1
359 1 64 GLU H 1 65 ALA H . . 4.610 4.398 4.320 4.479 . 0 0 "[ . 1 . 2]" 1
360 1 64 GLU HA 1 65 ALA H . . 2.960 2.141 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
361 1 65 ALA H 1 75 TYR HA . . 3.900 3.420 3.194 3.545 . 0 0 "[ . 1 . 2]" 1
362 1 65 ALA H 1 73 SER HA . . 5.090 4.669 4.501 4.799 . 0 0 "[ . 1 . 2]" 1
363 1 65 ALA H 1 74 GLY H . . 3.510 3.227 3.085 3.359 . 0 0 "[ . 1 . 2]" 1
364 1 52 PHE HB3 1 65 ALA H . . 5.500 5.260 5.159 5.359 . 0 0 "[ . 1 . 2]" 1
365 1 64 GLU HB3 1 65 ALA H . . 4.350 4.281 4.205 4.353 0.003 19 0 "[ . 1 . 2]" 1
366 1 64 GLU HG2 1 65 ALA H . . 3.940 3.609 3.432 3.857 . 0 0 "[ . 1 . 2]" 1
367 1 64 GLU HG3 1 65 ALA H . . 4.150 3.248 2.990 3.461 . 0 0 "[ . 1 . 2]" 1
368 1 44 LEU MD1 1 65 ALA H . . 4.660 3.115 2.932 3.325 . 0 0 "[ . 1 . 2]" 1
369 1 65 ALA H 1 76 ILE MG . . 4.530 4.001 3.913 4.103 . 0 0 "[ . 1 . 2]" 1
370 1 54 ILE MD 1 65 ALA H . . 4.740 4.679 4.563 4.742 0.002 13 0 "[ . 1 . 2]" 1
371 1 65 ALA H 1 76 ILE MD . . 4.980 4.287 4.062 4.490 . 0 0 "[ . 1 . 2]" 1
372 1 54 ILE MD 1 66 ARG H . . 5.040 4.808 4.515 4.897 . 0 0 "[ . 1 . 2]" 1
373 1 55 ILE HG13 1 66 ARG H . . 4.560 2.939 2.780 2.997 . 0 0 "[ . 1 . 2]" 1
374 1 66 ARG H 1 66 ARG HG2 . . 4.440 4.375 4.317 4.438 . 0 0 "[ . 1 . 2]" 1
375 1 66 ARG H 1 66 ARG HB2 . . 3.880 3.130 3.027 3.230 . 0 0 "[ . 1 . 2]" 1
376 1 66 ARG H 1 66 ARG HB3 . . 3.650 2.610 2.550 2.667 . 0 0 "[ . 1 . 2]" 1
377 1 52 PHE HB2 1 66 ARG H . . 5.110 4.971 4.853 5.113 0.003 20 0 "[ . 1 . 2]" 1
378 1 52 PHE HB3 1 66 ARG H . . 4.520 3.635 3.531 3.712 . 0 0 "[ . 1 . 2]" 1
379 1 54 ILE HA 1 66 ARG H . . 4.280 4.180 4.123 4.221 . 0 0 "[ . 1 . 2]" 1
380 1 52 PHE HA 1 66 ARG H . . 4.870 4.467 4.310 4.643 . 0 0 "[ . 1 . 2]" 1
381 1 66 ARG H 1 73 SER HA . . 5.140 4.874 4.754 4.968 . 0 0 "[ . 1 . 2]" 1
382 1 52 PHE QD 1 66 ARG H . . 5.100 4.833 4.700 4.963 . 0 0 "[ . 1 . 2]" 1
383 1 55 ILE H 1 66 ARG H . . 4.330 3.936 3.829 4.022 . 0 0 "[ . 1 . 2]" 1
384 1 65 ALA H 1 66 ARG H . . 4.660 4.446 4.418 4.468 . 0 0 "[ . 1 . 2]" 1
385 1 66 ARG HG2 1 67 SER H . . 3.830 3.424 3.195 3.669 . 0 0 "[ . 1 . 2]" 1
386 1 66 ARG HG3 1 67 SER H . . 4.350 4.007 3.723 4.227 . 0 0 "[ . 1 . 2]" 1
387 1 44 LEU HG 1 67 SER H . . 4.620 4.220 3.964 4.498 . 0 0 "[ . 1 . 2]" 1
388 1 66 ARG HB3 1 67 SER H . . 4.740 4.424 4.376 4.452 . 0 0 "[ . 1 . 2]" 1
389 1 67 SER H 1 71 GLY HA2 . . 4.790 4.740 4.636 4.795 0.005 19 0 "[ . 1 . 2]" 1
390 1 67 SER H 1 73 SER HA . . 3.900 3.281 3.145 3.335 . 0 0 "[ . 1 . 2]" 1
391 1 52 PHE QD 1 67 SER H . . 4.640 2.670 2.476 2.995 . 0 0 "[ . 1 . 2]" 1
392 1 67 SER H 1 68 ILE H . . 4.720 4.602 4.578 4.623 . 0 0 "[ . 1 . 2]" 1
393 1 68 ILE H 1 68 ILE MG . . 3.900 3.819 3.806 3.830 . 0 0 "[ . 1 . 2]" 1
394 1 68 ILE H 1 68 ILE HG12 . . 3.790 3.393 3.262 3.531 . 0 0 "[ . 1 . 2]" 1
395 1 67 SER HB2 1 68 ILE H . . 4.600 3.830 3.184 4.205 . 0 0 "[ . 1 . 2]" 1
396 1 67 SER HB3 1 68 ILE H . . 4.600 3.503 2.999 4.283 . 0 0 "[ . 1 . 2]" 1
397 1 67 SER HA 1 68 ILE H . . 3.230 2.200 2.168 2.227 . 0 0 "[ . 1 . 2]" 1
398 1 52 PHE HA 1 68 ILE H . . 3.830 2.925 2.727 3.130 . 0 0 "[ . 1 . 2]" 1
399 1 52 PHE QD 1 68 ILE H . . 4.680 4.024 3.961 4.090 . 0 0 "[ . 1 . 2]" 1
400 1 68 ILE HG12 1 69 ALA H . . 4.960 4.909 4.712 4.961 0.001 4 0 "[ . 1 . 2]" 1
401 1 50 GLU HG3 1 69 ALA H . . 5.450 4.751 4.085 5.293 . 0 0 "[ . 1 . 2]" 1
402 1 50 GLU HG2 1 69 ALA H . . 5.450 4.546 3.936 5.207 . 0 0 "[ . 1 . 2]" 1
403 1 68 ILE H 1 69 ALA H . . 3.340 2.241 2.150 2.548 . 0 0 "[ . 1 . 2]" 1
404 1 70 THR H 1 71 GLY HA2 . . 4.810 4.672 4.408 4.765 . 0 0 "[ . 1 . 2]" 1
405 1 67 SER HB2 1 70 THR H . . 4.380 3.612 2.777 4.347 . 0 0 "[ . 1 . 2]" 1
406 1 67 SER HB3 1 70 THR H . . 4.380 3.389 2.836 4.346 . 0 0 "[ . 1 . 2]" 1
407 1 70 THR H 1 70 THR HB . . 4.000 3.644 3.621 3.696 . 0 0 "[ . 1 . 2]" 1
408 1 70 THR H 1 71 GLY H . . 3.110 2.486 2.207 2.674 . 0 0 "[ . 1 . 2]" 1
409 1 69 ALA MB 1 71 GLY H . . 4.460 4.271 4.044 4.446 . 0 0 "[ . 1 . 2]" 1
410 1 70 THR HB 1 71 GLY H . . 4.170 3.602 3.367 4.015 . 0 0 "[ . 1 . 2]" 1
411 1 67 SER H 1 71 GLY H . . 4.770 4.592 4.400 4.730 . 0 0 "[ . 1 . 2]" 1
412 1 66 ARG HG2 1 72 LYS H . . 4.890 4.731 4.223 4.895 0.005 7 0 "[ . 1 . 2]" 1
413 1 70 THR MG 1 72 LYS H . . 5.150 4.325 4.188 4.599 . 0 0 "[ . 1 . 2]" 1
414 1 44 LEU MD1 1 72 LYS H . . 5.450 5.121 4.811 5.390 . 0 0 "[ . 1 . 2]" 1
415 1 72 LYS H 1 73 SER H . . 4.680 4.567 4.514 4.608 . 0 0 "[ . 1 . 2]" 1
416 1 67 SER H 1 72 LYS H . . 4.110 3.803 3.451 4.018 . 0 0 "[ . 1 . 2]" 1
417 1 44 LEU MD2 1 72 LYS H . . 5.270 4.185 3.919 4.433 . 0 0 "[ . 1 . 2]" 1
418 1 44 LEU HG 1 73 SER H . . 4.150 3.490 3.276 3.663 . 0 0 "[ . 1 . 2]" 1
419 1 72 LYS HB2 1 73 SER H . . 3.780 3.400 3.206 3.688 . 0 0 "[ . 1 . 2]" 1
420 1 73 SER H 1 73 SER HB2 . . 3.910 3.915 3.885 3.936 0.026 8 0 "[ . 1 . 2]" 1
421 1 66 ARG HA 1 73 SER H . . 4.820 4.691 4.569 4.805 . 0 0 "[ . 1 . 2]" 1
422 1 73 SER H 1 74 GLY H . . 4.370 4.264 4.160 4.304 . 0 0 "[ . 1 . 2]" 1
423 1 74 GLY H 1 76 ILE MG . . 4.980 4.732 4.480 4.852 . 0 0 "[ . 1 . 2]" 1
424 1 55 ILE MD 1 74 GLY H . . 4.580 4.077 3.949 4.245 . 0 0 "[ . 1 . 2]" 1
425 1 65 ALA MB 1 74 GLY H . . 4.850 4.560 4.449 4.673 . 0 0 "[ . 1 . 2]" 1
426 1 44 LEU HB2 1 74 GLY H . . 4.800 3.092 2.838 3.317 . 0 0 "[ . 1 . 2]" 1
427 1 44 LEU HG 1 74 GLY H . . 4.110 2.349 2.194 2.508 . 0 0 "[ . 1 . 2]" 1
428 1 66 ARG HA 1 74 GLY H . . 3.900 3.834 3.706 3.915 0.015 9 0 "[ . 1 . 2]" 1
429 1 75 TYR H 1 75 TYR QD . . 3.890 3.630 3.482 3.705 . 0 0 "[ . 1 . 2]" 1
430 1 75 TYR H 1 76 ILE H . . 4.420 4.244 4.124 4.313 . 0 0 "[ . 1 . 2]" 1
431 1 44 LEU HB3 1 75 TYR H . . 4.890 3.647 3.487 3.782 . 0 0 "[ . 1 . 2]" 1
432 1 44 LEU HG 1 75 TYR H . . 4.680 4.173 4.005 4.373 . 0 0 "[ . 1 . 2]" 1
433 1 44 LEU MD2 1 75 TYR H . . 4.970 4.677 4.579 4.857 . 0 0 "[ . 1 . 2]" 1
434 1 76 ILE H 1 76 ILE HG13 . . 3.800 2.783 2.630 3.011 . 0 0 "[ . 1 . 2]" 1
435 1 76 ILE H 1 76 ILE HG12 . . 3.800 2.170 2.035 2.291 . 0 0 "[ . 1 . 2]" 1
436 1 65 ALA MB 1 76 ILE H . . 4.330 4.189 3.894 4.334 0.004 11 0 "[ . 1 . 2]" 1
437 1 64 GLU HA 1 76 ILE H . . 4.110 3.566 3.385 3.766 . 0 0 "[ . 1 . 2]" 1
438 1 75 TYR QD 1 76 ILE H . . 4.470 3.989 3.867 4.135 . 0 0 "[ . 1 . 2]" 1
439 1 62 TRP HE3 1 76 ILE H . . 4.380 3.772 3.605 3.944 . 0 0 "[ . 1 . 2]" 1
440 1 63 TRP H 1 76 ILE H . . 3.840 3.051 2.833 3.384 . 0 0 "[ . 1 . 2]" 1
441 1 78 SER H 1 81 VAL MG2 . . 4.950 4.033 3.697 4.157 . 0 0 "[ . 1 . 2]" 1
442 1 77 PRO HB3 1 78 SER H . . 4.180 4.114 4.052 4.191 0.011 16 0 "[ . 1 . 2]" 1
443 1 78 SER H 1 78 SER HB3 . . 3.970 2.443 2.336 2.554 . 0 0 "[ . 1 . 2]" 1
444 1 78 SER H 1 78 SER HB2 . . 3.970 3.451 2.650 3.598 . 0 0 "[ . 1 . 2]" 1
445 1 62 TRP HB3 1 78 SER H . . 5.500 5.395 5.257 5.502 0.002 15 0 "[ . 1 . 2]" 1
446 1 61 ASP HA 1 78 SER H . . 5.500 4.817 4.321 5.383 . 0 0 "[ . 1 . 2]" 1
447 1 62 TRP HA 1 78 SER H . . 3.770 3.103 2.970 3.265 . 0 0 "[ . 1 . 2]" 1
448 1 78 SER H 1 81 VAL H . . 5.240 5.008 4.683 5.108 . 0 0 "[ . 1 . 2]" 1
449 1 78 SER H 1 79 ASN H . . 3.940 2.656 2.577 2.815 . 0 0 "[ . 1 . 2]" 1
450 1 79 ASN H 1 80 TYR QD . . 5.260 4.067 3.894 4.456 . 0 0 "[ . 1 . 2]" 1
451 1 79 ASN H 1 81 VAL H . . 5.500 3.969 3.846 4.262 . 0 0 "[ . 1 . 2]" 1
452 1 80 TYR H 1 81 VAL MG1 . . 4.240 3.955 3.818 4.145 . 0 0 "[ . 1 . 2]" 1
453 1 80 TYR H 1 81 VAL MG2 . . 3.830 3.257 3.144 3.441 . 0 0 "[ . 1 . 2]" 1
454 1 77 PRO HG2 1 80 TYR H . . 4.360 3.498 3.226 3.631 . 0 0 "[ . 1 . 2]" 1
455 1 77 PRO HB3 1 80 TYR H . . 4.930 4.907 4.692 4.944 0.014 20 0 "[ . 1 . 2]" 1
456 1 77 PRO HB2 1 80 TYR H . . 4.180 3.216 2.992 3.263 . 0 0 "[ . 1 . 2]" 1
457 1 78 SER HA 1 80 TYR H . . 4.420 3.437 3.338 3.647 . 0 0 "[ . 1 . 2]" 1
458 1 80 TYR H 1 80 TYR HB3 . . 3.640 3.573 3.520 3.588 . 0 0 "[ . 1 . 2]" 1
459 1 34 TYR QD 1 80 TYR H . . 5.070 4.759 4.674 4.904 . 0 0 "[ . 1 . 2]" 1
460 1 76 ILE MD 1 81 VAL H . . 4.770 4.648 4.322 4.763 . 0 0 "[ . 1 . 2]" 1
461 1 80 TYR HB2 1 81 VAL H . . 4.510 2.978 2.918 3.041 . 0 0 "[ . 1 . 2]" 1
462 1 80 TYR HB3 1 81 VAL H . . 4.510 3.469 3.395 3.538 . 0 0 "[ . 1 . 2]" 1
463 1 79 ASN HA 1 81 VAL H . . 4.870 4.617 4.553 4.693 . 0 0 "[ . 1 . 2]" 1
464 1 32 ALA HA 1 81 VAL H . . 5.000 4.728 4.551 4.846 . 0 0 "[ . 1 . 2]" 1
465 1 81 VAL H 1 82 VAL H . . 4.760 4.530 4.505 4.551 . 0 0 "[ . 1 . 2]" 1
466 1 81 VAL MG1 1 82 VAL H . . 4.000 3.828 3.730 3.905 . 0 0 "[ . 1 . 2]" 1
467 1 33 LEU H 1 82 VAL H . . 4.660 4.071 3.893 4.301 . 0 0 "[ . 1 . 2]" 1
468 1 30 PHE QD 1 82 VAL H . . 4.330 3.358 3.149 3.515 . 0 0 "[ . 1 . 2]" 1
469 1 30 PHE HA 1 82 VAL H . . 4.620 4.458 4.288 4.580 . 0 0 "[ . 1 . 2]" 1
470 1 32 ALA HA 1 82 VAL H . . 4.410 3.824 3.757 3.908 . 0 0 "[ . 1 . 2]" 1
471 1 82 VAL H 1 83 PRO HD2 . . 5.440 4.814 4.810 4.817 . 0 0 "[ . 1 . 2]" 1
472 1 30 PHE HB3 1 82 VAL H . . 4.180 3.914 3.678 4.102 . 0 0 "[ . 1 . 2]" 1
473 1 32 ALA MB 1 82 VAL H . . 5.280 5.125 5.078 5.179 . 0 0 "[ . 1 . 2]" 1
474 1 31 VAL HB 1 82 VAL H . . 4.960 4.130 4.033 4.203 . 0 0 "[ . 1 . 2]" 1
475 1 33 LEU HG 1 82 VAL H . . 4.810 3.392 3.180 3.744 . 0 0 "[ . 1 . 2]" 1
476 1 31 VAL MG1 1 82 VAL H . . 4.310 4.156 4.031 4.268 . 0 0 "[ . 1 . 2]" 1
477 1 83 PRO HB3 1 84 ALA H . . 4.120 3.942 3.918 3.970 . 0 0 "[ . 1 . 2]" 1
478 1 29 ILE HB 1 84 ALA H . . 4.310 3.801 3.754 3.850 . 0 0 "[ . 1 . 2]" 1
479 1 30 PHE QD 1 84 ALA H . . 5.010 4.647 4.546 4.718 . 0 0 "[ . 1 . 2]" 1
480 1 84 ALA H 1 85 ASP H . . 3.760 2.688 2.679 2.704 . 0 0 "[ . 1 . 2]" 1
481 1 31 VAL H 1 84 ALA H . . 4.130 4.018 3.954 4.075 . 0 0 "[ . 1 . 2]" 1
482 1 85 ASP H 1 87 ILE MG . . 5.500 5.559 5.544 5.575 0.075 20 0 "[ . 1 . 2]" 1
483 1 83 PRO HG2 1 85 ASP H . . 5.370 3.776 3.743 3.813 . 0 0 "[ . 1 . 2]" 1
484 1 82 VAL MG2 1 86 SER H . . 5.260 4.711 4.683 4.729 . 0 0 "[ . 1 . 2]" 1
485 1 86 SER H 1 87 ILE MG . . 5.500 5.417 5.384 5.438 . 0 0 "[ . 1 . 2]" 1
486 1 84 ALA MB 1 86 SER H . . 5.110 4.941 4.917 4.954 . 0 0 "[ . 1 . 2]" 1
487 1 86 SER H 1 87 ILE HG13 . . 4.270 4.250 4.211 4.271 0.001 20 0 "[ . 1 . 2]" 1
488 1 83 PRO HG2 1 86 SER H . . 4.230 2.343 2.319 2.367 . 0 0 "[ . 1 . 2]" 1
489 1 83 PRO HB2 1 86 SER H . . 4.550 2.310 2.301 2.332 . 0 0 "[ . 1 . 2]" 1
490 1 85 ASP HB2 1 86 SER H . . 4.640 3.240 2.592 4.081 . 0 0 "[ . 1 . 2]" 1
491 1 85 ASP HB3 1 86 SER H . . 4.640 3.279 2.585 3.921 . 0 0 "[ . 1 . 2]" 1
492 1 87 ILE H 1 87 ILE HG12 . . 3.720 2.057 2.017 2.107 . 0 0 "[ . 1 . 2]" 1
493 1 86 SER HB3 1 87 ILE H . . 4.400 4.282 4.266 4.306 . 0 0 "[ . 1 . 2]" 1
494 1 86 SER HB2 1 87 ILE H . . 4.290 4.119 4.082 4.182 . 0 0 "[ . 1 . 2]" 1
495 1 87 ILE H 1 87 ILE HG13 . . 3.730 2.026 1.969 2.061 . 0 0 "[ . 1 . 2]" 1
496 1 82 VAL MG2 1 87 ILE H . . 4.680 3.892 3.840 3.959 . 0 0 "[ . 1 . 2]" 1
497 1 85 ASP H 1 87 ILE H . . 3.700 3.595 3.532 3.699 . 0 0 "[ . 1 . 2]" 1
498 1 82 VAL MG2 1 88 GLN H . . 4.520 2.664 2.591 2.725 . 0 0 "[ . 1 . 2]" 1
499 1 87 ILE HG12 1 88 GLN H . . 5.080 4.837 4.825 4.846 . 0 0 "[ . 1 . 2]" 1
500 1 88 GLN H 1 89 ALA MB . . 4.230 4.147 4.117 4.181 . 0 0 "[ . 1 . 2]" 1
501 1 87 ILE HB 1 88 GLN H . . 4.310 4.224 4.217 4.231 . 0 0 "[ . 1 . 2]" 1
502 1 88 GLN H 1 89 ALA H . . 3.770 2.425 2.406 2.447 . 0 0 "[ . 1 . 2]" 1
503 1 88 GLN HG2 1 89 ALA H . . 4.790 2.965 2.485 3.933 . 0 0 "[ . 1 . 2]" 1
504 1 88 GLN HG3 1 89 ALA H . . 4.790 2.807 2.259 3.138 . 0 0 "[ . 1 . 2]" 1
505 1 87 ILE MG 1 89 ALA H . . 4.440 2.428 2.272 2.576 . 0 0 "[ . 1 . 2]" 1
506 1 82 VAL MG2 1 89 ALA H . . 4.660 2.907 2.829 3.000 . 0 0 "[ . 1 . 2]" 1
507 1 90 GLU H 1 90 GLU HG2 . . 3.790 2.179 1.858 3.137 . 0 0 "[ . 1 . 2]" 1
508 1 91 GLU H 1 94 PHE HB2 . . 4.900 4.237 4.173 4.321 . 0 0 "[ . 1 . 2]" 1
509 1 91 GLU H 1 91 GLU HG3 . . 4.250 2.274 2.021 3.430 . 0 0 "[ . 1 . 2]" 1
510 1 89 ALA MB 1 91 GLU H . . 4.530 3.875 3.848 3.905 . 0 0 "[ . 1 . 2]" 1
511 1 92 TRP H 1 93 TYR QD . . 4.940 4.859 4.822 4.908 . 0 0 "[ . 1 . 2]" 1
512 1 92 TRP H 1 92 TRP HD1 . . 3.670 2.767 2.736 2.786 . 0 0 "[ . 1 . 2]" 1
513 1 92 TRP H 1 92 TRP HE3 . . 5.040 4.897 4.871 4.918 . 0 0 "[ . 1 . 2]" 1
514 1 90 GLU H 1 92 TRP H . . 4.650 4.546 4.529 4.577 . 0 0 "[ . 1 . 2]" 1
515 1 93 TYR H 1 93 TYR QD . . 3.780 3.099 3.086 3.117 . 0 0 "[ . 1 . 2]" 1
516 1 92 TRP HD1 1 93 TYR H . . 4.970 3.824 3.761 3.900 . 0 0 "[ . 1 . 2]" 1
517 1 92 TRP HZ3 1 93 TYR H . . 5.500 4.461 4.409 4.491 . 0 0 "[ . 1 . 2]" 1
518 1 92 TRP HE3 1 93 TYR H . . 4.360 3.129 3.075 3.160 . 0 0 "[ . 1 . 2]" 1
519 1 90 GLU HA 1 93 TYR H . . 4.350 3.201 3.169 3.236 . 0 0 "[ . 1 . 2]" 1
520 1 91 GLU HA 1 94 PHE H . . 4.330 3.302 3.249 3.344 . 0 0 "[ . 1 . 2]" 1
521 1 93 TYR QD 1 94 PHE H . . 4.230 3.278 3.253 3.293 . 0 0 "[ . 1 . 2]" 1
522 1 94 PHE H 1 94 PHE QD . . 4.010 2.901 2.612 3.206 . 0 0 "[ . 1 . 2]" 1
523 1 94 PHE HB3 1 95 GLY H . . 4.330 3.143 3.013 3.272 . 0 0 "[ . 1 . 2]" 1
524 1 94 PHE HB2 1 95 GLY H . . 4.280 2.728 2.619 2.846 . 0 0 "[ . 1 . 2]" 1
525 1 96 LYS H 1 97 MET H . . 4.640 3.889 3.152 4.631 . 0 0 "[ . 1 . 2]" 1
526 1 96 LYS H 1 96 LYS HB3 . . 4.070 2.855 2.410 3.567 . 0 0 "[ . 1 . 2]" 1
527 1 96 LYS H 1 96 LYS HB2 . . 4.070 2.517 2.232 2.965 . 0 0 "[ . 1 . 2]" 1
528 1 96 LYS H 1 96 LYS HG2 . . 5.210 4.308 2.573 4.764 . 0 0 "[ . 1 . 2]" 1
529 1 96 LYS H 1 96 LYS HG3 . . 5.210 4.303 3.209 4.680 . 0 0 "[ . 1 . 2]" 1
530 1 97 MET H 1 97 MET HG2 . . 4.660 4.035 2.347 4.626 . 0 0 "[ . 1 . 2]" 1
531 1 97 MET H 1 97 MET HG3 . . 4.660 3.676 2.327 4.605 . 0 0 "[ . 1 . 2]" 1
532 1 97 MET H 1 97 MET HB3 . . 4.070 3.046 2.468 3.654 . 0 0 "[ . 1 . 2]" 1
533 1 96 LYS HB3 1 97 MET H . . 4.580 3.580 1.916 4.494 . 0 0 "[ . 1 . 2]" 1
534 1 96 LYS HB2 1 97 MET H . . 4.580 4.114 2.190 4.594 0.014 13 0 "[ . 1 . 2]" 1
535 1 96 LYS HG2 1 97 MET H . . 5.500 4.173 3.019 5.378 . 0 0 "[ . 1 . 2]" 1
536 1 96 LYS HG3 1 97 MET H . . 5.500 4.121 2.058 5.411 . 0 0 "[ . 1 . 2]" 1
537 1 29 ILE H 1 29 ILE MD . . 3.960 3.661 3.565 3.759 . 0 0 "[ . 1 . 2]" 1
538 1 29 ILE H 1 29 ILE MG . . 3.690 3.689 3.683 3.696 0.006 11 0 "[ . 1 . 2]" 1
539 1 29 ILE H 1 84 ALA MB . . 4.950 4.918 4.819 4.957 0.007 20 0 "[ . 1 . 2]" 1
540 1 29 ILE H 1 30 PHE H . . 4.730 4.585 4.569 4.607 . 0 0 "[ . 1 . 2]" 1
541 1 28 THR H 1 29 ILE MD . . 5.500 5.376 5.207 5.502 0.002 3 0 "[ . 1 . 2]" 1
542 1 27 VAL HB 1 28 THR H . . 4.070 3.963 3.804 4.072 0.002 18 0 "[ . 1 . 2]" 1
543 1 27 VAL H 1 28 THR H . . 4.550 4.506 4.423 4.558 0.008 18 0 "[ . 1 . 2]" 1
544 1 26 GLY H 1 27 VAL H . . 4.030 2.899 2.032 3.807 . 0 0 "[ . 1 . 2]" 1
545 1 24 THR MG 1 25 GLY H . . 5.200 3.154 1.901 4.064 . 0 0 "[ . 1 . 2]" 1
546 1 23 LEU MD1 1 24 THR H . . 5.290 4.494 3.437 5.128 . 0 0 "[ . 1 . 2]" 1
547 1 24 THR H 1 24 THR MG . . 4.030 3.393 2.212 3.992 . 0 0 "[ . 1 . 2]" 1
548 1 23 LEU HB2 1 24 THR H . . 4.940 3.695 2.835 4.517 . 0 0 "[ . 1 . 2]" 1
549 1 23 LEU HB3 1 24 THR H . . 4.940 3.687 2.148 4.377 . 0 0 "[ . 1 . 2]" 1
550 1 24 THR H 1 24 THR HB . . 4.190 3.157 2.479 3.940 . 0 0 "[ . 1 . 2]" 1
551 1 22 GLY H 1 23 LEU H . . 4.560 3.006 1.991 4.188 . 0 0 "[ . 1 . 2]" 1
552 1 21 THR H 1 21 THR MG . . 3.790 2.656 1.880 3.152 . 0 0 "[ . 1 . 2]" 1
553 1 20 PRO HB2 1 21 THR H . . 4.500 2.997 1.931 4.190 . 0 0 "[ . 1 . 2]" 1
554 1 20 PRO HB3 1 21 THR H . . 4.500 3.698 3.156 4.492 . 0 0 "[ . 1 . 2]" 1
555 1 21 THR H 1 22 GLY H . . 4.680 4.024 1.789 4.641 . 0 0 "[ . 1 . 2]" 1
556 1 55 ILE MG 1 56 ASN HD21 . . 4.640 4.411 4.278 4.501 . 0 0 "[ . 1 . 2]" 1
557 1 56 ASN HD21 1 64 GLU HB3 . . 5.040 4.427 4.218 4.578 . 0 0 "[ . 1 . 2]" 1
558 1 55 ILE MG 1 56 ASN HD22 . . 5.500 5.494 5.448 5.507 0.007 4 0 "[ . 1 . 2]" 1
559 1 56 ASN HB2 1 56 ASN HD22 . . 3.990 3.505 3.455 3.538 . 0 0 "[ . 1 . 2]" 1
560 1 54 ILE MG 1 57 ASN HD21 . . 4.260 2.440 1.880 2.725 . 0 0 "[ . 1 . 2]" 1
561 1 54 ILE MG 1 57 ASN HD22 . . 4.260 3.788 2.187 4.192 . 0 0 "[ . 1 . 2]" 1
562 1 53 GLN HE22 1 68 ILE MD . . 4.650 4.200 3.655 4.527 . 0 0 "[ . 1 . 2]" 1
563 1 53 GLN HE22 1 68 ILE MG . . 4.390 3.699 3.324 4.072 . 0 0 "[ . 1 . 2]" 1
564 1 53 GLN HE22 1 53 GLN HG2 . . 3.980 3.472 3.436 3.537 . 0 0 "[ . 1 . 2]" 1
565 1 53 GLN HE22 1 53 GLN HG3 . . 4.060 3.813 3.697 3.932 . 0 0 "[ . 1 . 2]" 1
566 1 29 ILE MD 1 53 GLN HE21 . . 4.770 4.198 3.923 4.579 . 0 0 "[ . 1 . 2]" 1
567 1 53 GLN HE21 1 68 ILE MD . . 5.000 3.651 3.090 4.026 . 0 0 "[ . 1 . 2]" 1
568 1 33 LEU MD2 1 92 TRP HE1 . . 4.910 2.458 2.397 2.528 . 0 0 "[ . 1 . 2]" 1
569 1 87 ILE MG 1 92 TRP HE1 . . 4.570 1.765 1.757 1.775 . 0 0 "[ . 1 . 2]" 1
570 1 90 GLU HB3 1 92 TRP HE1 . . 4.880 4.668 4.538 4.729 . 0 0 "[ . 1 . 2]" 1
571 1 92 TRP HB3 1 92 TRP HE1 . . 4.860 4.762 4.760 4.763 . 0 0 "[ . 1 . 2]" 1
572 1 90 GLU HA 1 92 TRP HE1 . . 4.680 2.871 2.766 2.917 . 0 0 "[ . 1 . 2]" 1
573 1 92 TRP H 1 92 TRP HE1 . . 4.940 4.624 4.587 4.657 . 0 0 "[ . 1 . 2]" 1
574 1 60 GLY HA2 1 63 TRP HE1 . . 4.040 1.907 1.895 1.984 . 0 0 "[ . 1 . 2]" 1
575 1 57 ASN HA 1 63 TRP HE1 . . 4.010 3.636 3.459 3.910 . 0 0 "[ . 1 . 2]" 1
576 1 60 GLY HA3 1 63 TRP HE1 . . 4.040 3.573 3.459 3.691 . 0 0 "[ . 1 . 2]" 1
577 1 59 GLU HA 1 63 TRP HE1 . . 5.290 4.732 4.066 5.166 . 0 0 "[ . 1 . 2]" 1
578 1 63 TRP HA 1 63 TRP HE1 . . 4.680 4.631 4.586 4.673 . 0 0 "[ . 1 . 2]" 1
579 1 60 GLY H 1 63 TRP HE1 . . 4.330 3.716 3.329 4.029 . 0 0 "[ . 1 . 2]" 1
580 1 62 TRP HB2 1 62 TRP HE1 . . 5.140 4.847 4.832 4.862 . 0 0 "[ . 1 . 2]" 1
581 1 18 SER HB2 1 19 TYR H . . 5.270 3.950 2.646 4.647 . 0 0 "[ . 1 . 2]" 1
582 1 18 SER HB3 1 19 TYR H . . 5.270 3.824 2.509 4.523 . 0 0 "[ . 1 . 2]" 1
583 1 19 TYR H 1 19 TYR QD . . 4.080 2.437 1.944 3.980 . 0 0 "[ . 1 . 2]" 1
584 1 90 GLU HB2 1 92 TRP HE1 . . 5.450 5.409 5.284 5.462 0.012 13 0 "[ . 1 . 2]" 1
585 1 30 PHE HB3 1 84 ALA H . . 5.500 5.504 5.475 5.514 0.014 17 0 "[ . 1 . 2]" 1
586 1 62 TRP H 1 62 TRP HE1 . . 5.500 5.298 5.162 5.458 . 0 0 "[ . 1 . 2]" 1
587 1 87 ILE MD 1 90 GLU HA . . 3.300 3.146 3.085 3.240 . 0 0 "[ . 1 . 2]" 1
588 1 87 ILE HB 1 87 ILE MD . . 3.050 2.609 2.588 2.640 . 0 0 "[ . 1 . 2]" 1
589 1 55 ILE HA 1 55 ILE MD . . 4.010 3.914 3.902 3.931 . 0 0 "[ . 1 . 2]" 1
590 1 55 ILE MD 1 73 SER HB2 . . 3.600 3.525 3.249 3.601 0.001 11 0 "[ . 1 . 2]" 1
591 1 55 ILE MD 1 64 GLU HG2 . . 3.060 2.001 1.977 2.051 . 0 0 "[ . 1 . 2]" 1
592 1 55 ILE MD 1 66 ARG HB2 . . 3.340 1.940 1.905 2.021 . 0 0 "[ . 1 . 2]" 1
593 1 68 ILE HA 1 68 ILE MD . . 4.050 3.952 3.907 3.972 . 0 0 "[ . 1 . 2]" 1
594 1 87 ILE MD 1 90 GLU HB3 . . 3.330 2.982 2.945 3.176 . 0 0 "[ . 1 . 2]" 1
595 1 68 ILE HB 1 68 ILE MD . . 3.020 2.323 2.215 2.416 . 0 0 "[ . 1 . 2]" 1
596 1 29 ILE HA 1 29 ILE MD . . 3.010 2.013 1.946 2.097 . 0 0 "[ . 1 . 2]" 1
597 1 29 ILE MD 1 53 GLN HA . . 3.570 3.383 3.264 3.435 . 0 0 "[ . 1 . 2]" 1
598 1 29 ILE HB 1 29 ILE MD . . 3.230 3.226 3.223 3.229 . 0 0 "[ . 1 . 2]" 1
599 1 29 ILE MD 1 29 ILE MG . . 2.520 1.971 1.917 2.043 . 0 0 "[ . 1 . 2]" 1
600 1 54 ILE MD 1 63 TRP HE3 . . 3.000 2.721 2.555 2.868 . 0 0 "[ . 1 . 2]" 1
601 1 54 ILE HA 1 54 ILE MD . . 3.030 2.074 1.981 2.143 . 0 0 "[ . 1 . 2]" 1
602 1 30 PHE HB2 1 54 ILE MD . . 3.460 2.501 2.164 2.644 . 0 0 "[ . 1 . 2]" 1
603 1 54 ILE HB 1 54 ILE MD . . 3.370 3.220 3.214 3.230 . 0 0 "[ . 1 . 2]" 1
604 1 54 ILE MD 1 76 ILE MD . . 3.140 2.566 2.405 2.746 . 0 0 "[ . 1 . 2]" 1
605 1 58 THR HA 1 58 THR HB . . 2.900 2.438 2.390 2.522 . 0 0 "[ . 1 . 2]" 1
606 1 73 SER HB2 1 74 GLY H . . 3.350 2.995 2.890 3.245 . 0 0 "[ . 1 . 2]" 1
607 1 83 PRO HA 1 84 ALA H . . 3.010 2.163 2.159 2.168 . 0 0 "[ . 1 . 2]" 1
608 1 30 PHE HA 1 83 PRO HA . . 3.340 2.206 2.173 2.246 . 0 0 "[ . 1 . 2]" 1
609 1 21 THR HA 1 21 THR MG . . 3.300 2.490 2.150 3.202 . 0 0 "[ . 1 . 2]" 1
610 1 93 TYR HA 1 93 TYR QD . . 3.470 3.437 3.428 3.443 . 0 0 "[ . 1 . 2]" 1
611 1 48 LYS HA 1 49 GLY H . . 2.960 2.151 2.144 2.169 . 0 0 "[ . 1 . 2]" 1
612 1 91 GLU HA 1 92 TRP H . . 3.530 3.498 3.488 3.510 . 0 0 "[ . 1 . 2]" 1
613 1 66 ARG HA 1 73 SER HA . . 3.340 2.285 2.193 2.389 . 0 0 "[ . 1 . 2]" 1
614 1 84 ALA HA 1 87 ILE MG . . 3.550 3.533 3.492 3.558 0.008 3 0 "[ . 1 . 2]" 1
615 1 89 ALA HA 1 90 GLU H . . 3.330 2.973 2.953 2.993 . 0 0 "[ . 1 . 2]" 1
616 1 43 ASP HA 1 75 TYR HB2 . . 3.830 2.441 2.106 2.792 . 0 0 "[ . 1 . 2]" 1
617 1 63 TRP HA 1 63 TRP HD1 . . 3.350 2.119 2.076 2.159 . 0 0 "[ . 1 . 2]" 1
618 1 82 VAL HA 1 83 PRO HD3 . . 3.350 2.293 2.290 2.294 . 0 0 "[ . 1 . 2]" 1
619 1 30 PHE HB3 1 52 PHE QD . . 4.670 4.413 4.324 4.487 . 0 0 "[ . 1 . 2]" 1
620 1 30 PHE HB2 1 54 ILE HG13 . . 4.240 3.641 3.512 3.842 . 0 0 "[ . 1 . 2]" 1
621 1 30 PHE HA 1 31 VAL MG2 . . 4.540 3.935 3.902 3.969 . 0 0 "[ . 1 . 2]" 1
622 1 31 VAL HA 1 81 VAL MG1 . . 5.020 4.416 4.255 4.555 . 0 0 "[ . 1 . 2]" 1
623 1 31 VAL HA 1 51 ARG HG3 . . 5.160 4.752 4.478 4.988 . 0 0 "[ . 1 . 2]" 1
624 1 31 VAL HA 1 52 PHE QD . . 4.720 3.770 3.549 3.884 . 0 0 "[ . 1 . 2]" 1
625 1 31 VAL HA 1 52 PHE H . . 4.460 4.258 4.120 4.369 . 0 0 "[ . 1 . 2]" 1
626 1 31 VAL HB 1 32 ALA H . . 4.280 4.096 4.051 4.137 . 0 0 "[ . 1 . 2]" 1
627 1 31 VAL MG2 1 52 PHE H . . 4.780 4.567 4.427 4.659 . 0 0 "[ . 1 . 2]" 1
628 1 31 VAL MG2 1 32 ALA H . . 3.450 3.474 3.461 3.484 0.034 11 0 "[ . 1 . 2]" 1
629 1 31 VAL MG2 1 84 ALA H . . 4.530 4.225 4.099 4.320 . 0 0 "[ . 1 . 2]" 1
630 1 27 VAL MG1 1 29 ILE H . . 4.570 4.295 3.986 4.446 . 0 0 "[ . 1 . 2]" 1
631 1 31 VAL MG2 1 50 GLU H . . 4.940 4.565 4.355 4.770 . 0 0 "[ . 1 . 2]" 1
632 1 31 VAL MG2 1 51 ARG HA . . 3.720 3.049 2.903 3.151 . 0 0 "[ . 1 . 2]" 1
633 1 31 VAL HA 1 31 VAL MG2 . . 3.130 2.219 2.187 2.260 . 0 0 "[ . 1 . 2]" 1
634 1 27 VAL MG1 1 28 THR HA . . 3.680 3.634 3.401 3.681 0.001 8 0 "[ . 1 . 2]" 1
635 1 31 VAL MG2 1 49 GLY HA2 . . 4.370 4.216 4.101 4.332 . 0 0 "[ . 1 . 2]" 1
636 1 31 VAL MG2 1 51 ARG HD2 . . 4.400 4.207 4.123 4.317 . 0 0 "[ . 1 . 2]" 1
637 1 31 VAL MG2 1 51 ARG HG3 . . 3.450 3.118 2.792 3.420 . 0 0 "[ . 1 . 2]" 1
638 1 31 VAL H 1 31 VAL MG1 . . 3.710 3.665 3.648 3.677 . 0 0 "[ . 1 . 2]" 1
639 1 31 VAL MG1 1 33 LEU H . . 4.560 3.744 3.622 3.896 . 0 0 "[ . 1 . 2]" 1
640 1 31 VAL MG1 1 50 GLU H . . 4.420 3.298 3.081 3.502 . 0 0 "[ . 1 . 2]" 1
641 1 31 VAL MG1 1 51 ARG HA . . 4.590 4.346 4.173 4.442 . 0 0 "[ . 1 . 2]" 1
642 1 31 VAL HA 1 31 VAL MG1 . . 3.300 2.571 2.551 2.600 . 0 0 "[ . 1 . 2]" 1
643 1 31 VAL MG1 1 49 GLY HA3 . . 4.320 4.247 4.150 4.323 0.003 20 0 "[ . 1 . 2]" 1
644 1 31 VAL MG1 1 33 LEU HA . . 3.570 3.442 3.371 3.542 . 0 0 "[ . 1 . 2]" 1
645 1 31 VAL MG1 1 49 GLY HA2 . . 3.550 2.791 2.691 2.873 . 0 0 "[ . 1 . 2]" 1
646 1 32 ALA MB 1 81 VAL MG2 . . 5.320 4.605 4.472 4.796 . 0 0 "[ . 1 . 2]" 1
647 1 31 VAL MG1 1 32 ALA MB . . 3.690 3.451 3.406 3.510 . 0 0 "[ . 1 . 2]" 1
648 1 32 ALA MB 1 76 ILE HB . . 5.450 5.194 5.029 5.316 . 0 0 "[ . 1 . 2]" 1
649 1 32 ALA MB 1 50 GLU HB2 . . 3.860 3.760 3.673 3.867 0.007 9 0 "[ . 1 . 2]" 1
650 1 32 ALA MB 1 48 LYS HA . . 3.130 2.705 2.552 2.910 . 0 0 "[ . 1 . 2]" 1
651 1 32 ALA MB 1 33 LEU HA . . 4.850 4.390 4.322 4.433 . 0 0 "[ . 1 . 2]" 1
652 1 32 ALA MB 1 50 GLU HA . . 5.280 4.635 4.534 4.735 . 0 0 "[ . 1 . 2]" 1
653 1 32 ALA MB 1 49 GLY HA3 . . 5.110 4.976 4.910 5.077 . 0 0 "[ . 1 . 2]" 1
654 1 31 VAL HA 1 32 ALA MB . . 4.170 3.974 3.962 3.983 . 0 0 "[ . 1 . 2]" 1
655 1 32 ALA MB 1 81 VAL HA . . 4.260 3.890 3.804 3.986 . 0 0 "[ . 1 . 2]" 1
656 1 32 ALA MB 1 52 PHE HZ . . 3.970 3.884 3.611 3.972 0.002 20 0 "[ . 1 . 2]" 1
657 1 32 ALA MB 1 52 PHE QE . . 3.250 2.429 2.308 2.537 . 0 0 "[ . 1 . 2]" 1
658 1 32 ALA MB 1 46 PHE QD . . 3.020 2.045 1.940 2.129 . 0 0 "[ . 1 . 2]" 1
659 1 32 ALA MB 1 46 PHE QE . . 3.400 3.076 2.882 3.227 . 0 0 "[ . 1 . 2]" 1
660 1 32 ALA H 1 32 ALA MB . . 2.890 2.235 2.199 2.263 . 0 0 "[ . 1 . 2]" 1
661 1 32 ALA MB 1 49 GLY H . . 3.200 2.645 2.516 2.799 . 0 0 "[ . 1 . 2]" 1
662 1 32 ALA MB 1 33 LEU H . . 3.550 3.305 3.222 3.363 . 0 0 "[ . 1 . 2]" 1
663 1 33 LEU HA 1 34 TYR QD . . 5.210 5.122 5.083 5.163 . 0 0 "[ . 1 . 2]" 1
664 1 32 ALA HA 1 33 LEU HA . . 4.770 4.404 4.389 4.416 . 0 0 "[ . 1 . 2]" 1
665 1 33 LEU HA 1 48 LYS HA . . 5.020 4.059 3.854 4.312 . 0 0 "[ . 1 . 2]" 1
666 1 33 LEU HA 1 33 LEU HG . . 3.840 3.333 3.247 3.394 . 0 0 "[ . 1 . 2]" 1
667 1 33 LEU H 1 33 LEU HB3 . . 3.960 3.605 3.591 3.631 . 0 0 "[ . 1 . 2]" 1
668 1 33 LEU HB2 1 33 LEU MD1 . . 3.490 2.323 2.217 2.403 . 0 0 "[ . 1 . 2]" 1
669 1 33 LEU HB3 1 33 LEU MD1 . . 3.340 2.352 2.270 2.439 . 0 0 "[ . 1 . 2]" 1
670 1 33 LEU MD1 1 82 VAL MG1 . . 2.840 1.802 1.726 1.971 . 0 0 "[ . 1 . 2]" 1
671 1 33 LEU MD1 1 82 VAL HB . . 4.520 3.937 3.806 4.151 . 0 0 "[ . 1 . 2]" 1
672 1 33 LEU HA 1 33 LEU MD1 . . 4.130 3.949 3.897 3.999 . 0 0 "[ . 1 . 2]" 1
673 1 33 LEU MD1 1 80 TYR HA . . 4.200 4.167 4.022 4.206 0.006 9 0 "[ . 1 . 2]" 1
674 1 33 LEU MD1 1 81 VAL HA . . 4.760 4.132 3.977 4.295 . 0 0 "[ . 1 . 2]" 1
675 1 33 LEU MD1 1 34 TYR QE . . 3.460 3.068 2.942 3.164 . 0 0 "[ . 1 . 2]" 1
676 1 33 LEU MD1 1 34 TYR H . . 4.670 4.435 4.343 4.517 . 0 0 "[ . 1 . 2]" 1
677 1 33 LEU MD1 1 81 VAL H . . 5.410 5.247 5.045 5.401 . 0 0 "[ . 1 . 2]" 1
678 1 33 LEU H 1 33 LEU MD1 . . 4.200 3.531 3.402 3.624 . 0 0 "[ . 1 . 2]" 1
679 1 33 LEU MD1 1 82 VAL H . . 5.000 4.015 3.825 4.279 . 0 0 "[ . 1 . 2]" 1
680 1 33 LEU H 1 33 LEU MD2 . . 3.740 2.987 2.822 3.176 . 0 0 "[ . 1 . 2]" 1
681 1 33 LEU MD2 1 82 VAL H . . 4.570 3.623 3.338 3.906 . 0 0 "[ . 1 . 2]" 1
682 1 33 LEU MD2 1 92 TRP HD1 . . 4.310 2.127 2.007 2.311 . 0 0 "[ . 1 . 2]" 1
683 1 33 LEU MD2 1 34 TYR QE . . 5.050 5.043 4.990 5.063 0.013 12 0 "[ . 1 . 2]" 1
684 1 33 LEU MD2 1 81 VAL HA . . 4.770 4.221 4.009 4.436 . 0 0 "[ . 1 . 2]" 1
685 1 33 LEU HA 1 33 LEU MD2 . . 2.690 2.346 2.228 2.459 . 0 0 "[ . 1 . 2]" 1
686 1 31 VAL MG1 1 33 LEU MD2 . . 3.200 2.225 2.097 2.381 . 0 0 "[ . 1 . 2]" 1
687 1 33 LEU MD2 1 87 ILE MG . . 3.520 2.925 2.808 3.047 . 0 0 "[ . 1 . 2]" 1
688 1 33 LEU MD2 1 82 VAL MG1 . . 3.010 2.797 2.642 3.014 0.004 11 0 "[ . 1 . 2]" 1
689 1 34 TYR HB2 1 80 TYR QD . . 4.240 2.222 1.999 2.431 . 0 0 "[ . 1 . 2]" 1
690 1 34 TYR HB2 1 35 ASP H . . 3.900 3.552 3.416 3.755 . 0 0 "[ . 1 . 2]" 1
691 1 34 TYR HB3 1 35 ASP H . . 3.900 2.913 2.755 3.096 . 0 0 "[ . 1 . 2]" 1
692 1 35 ASP HB2 1 47 LYS HA . . 5.000 3.472 3.119 4.606 . 0 0 "[ . 1 . 2]" 1
693 1 35 ASP HB2 1 48 LYS H . . 5.040 3.513 3.242 4.076 . 0 0 "[ . 1 . 2]" 1
694 1 35 ASP HB3 1 47 LYS HA . . 5.000 3.455 3.123 3.793 . 0 0 "[ . 1 . 2]" 1
695 1 35 ASP H 1 35 ASP HB3 . . 3.810 2.891 2.592 3.611 . 0 0 "[ . 1 . 2]" 1
696 1 36 TYR HB3 1 80 TYR QD . . 4.350 4.015 3.813 4.279 . 0 0 "[ . 1 . 2]" 1
697 1 36 TYR HB3 1 46 PHE QE . . 4.440 2.690 2.659 2.755 . 0 0 "[ . 1 . 2]" 1
698 1 36 TYR HB2 1 46 PHE H . . 5.260 5.259 5.231 5.267 0.007 13 0 "[ . 1 . 2]" 1
699 1 36 TYR HB2 1 46 PHE QE . . 4.150 2.907 2.747 3.094 . 0 0 "[ . 1 . 2]" 1
700 1 36 TYR HB2 1 80 TYR QD . . 4.030 2.695 2.492 2.851 . 0 0 "[ . 1 . 2]" 1
701 1 36 TYR HB2 1 46 PHE HZ . . 4.600 2.893 2.769 3.111 . 0 0 "[ . 1 . 2]" 1
702 1 37 GLU HA 1 38 ALA MB . . 4.070 4.000 3.973 4.007 . 0 0 "[ . 1 . 2]" 1
703 1 37 GLU HA 1 38 ALA HA . . 4.830 4.378 4.368 4.386 . 0 0 "[ . 1 . 2]" 1
704 1 37 GLU HA 1 45 SER HA . . 3.500 3.375 3.089 3.503 0.003 13 0 "[ . 1 . 2]" 1
705 1 36 TYR HA 1 37 GLU HB3 . . 4.990 4.733 4.434 4.931 . 0 0 "[ . 1 . 2]" 1
706 1 36 TYR HA 1 37 GLU HB2 . . 4.990 4.169 4.027 4.389 . 0 0 "[ . 1 . 2]" 1
707 1 37 GLU H 1 37 GLU HB3 . . 3.400 2.865 2.653 3.012 . 0 0 "[ . 1 . 2]" 1
708 1 37 GLU HB3 1 38 ALA H . . 4.600 4.159 4.024 4.316 . 0 0 "[ . 1 . 2]" 1
709 1 37 GLU HA 1 37 GLU HG2 . . 4.220 3.150 2.435 3.848 . 0 0 "[ . 1 . 2]" 1
710 1 37 GLU HA 1 37 GLU HG3 . . 4.220 2.647 2.206 3.666 . 0 0 "[ . 1 . 2]" 1
711 1 38 ALA HA 1 43 ASP HB3 . . 3.820 2.454 2.210 2.734 . 0 0 "[ . 1 . 2]" 1
712 1 36 TYR QE 1 38 ALA HA . . 3.480 2.110 1.998 2.270 . 0 0 "[ . 1 . 2]" 1
713 1 36 TYR QD 1 38 ALA HA . . 4.340 3.797 3.715 3.893 . 0 0 "[ . 1 . 2]" 1
714 1 38 ALA HA 1 44 LEU H . . 4.690 4.339 3.993 4.686 . 0 0 "[ . 1 . 2]" 1
715 1 38 ALA MB 1 39 ARG H . . 3.430 3.345 3.172 3.416 . 0 0 "[ . 1 . 2]" 1
716 1 38 ALA MB 1 44 LEU H . . 4.110 3.738 3.389 4.007 . 0 0 "[ . 1 . 2]" 1
717 1 38 ALA H 1 38 ALA MB . . 2.830 2.217 2.148 2.236 . 0 0 "[ . 1 . 2]" 1
718 1 38 ALA MB 1 43 ASP H . . 4.120 3.763 3.501 3.982 . 0 0 "[ . 1 . 2]" 1
719 1 36 TYR QD 1 38 ALA MB . . 4.270 4.253 4.185 4.282 0.012 10 0 "[ . 1 . 2]" 1
720 1 38 ALA MB 1 43 ASP HA . . 4.500 4.207 3.954 4.504 0.004 20 0 "[ . 1 . 2]" 1
721 1 38 ALA MB 1 45 SER HA . . 3.770 2.407 2.250 2.730 . 0 0 "[ . 1 . 2]" 1
722 1 38 ALA MB 1 44 LEU HA . . 3.840 3.132 2.823 3.329 . 0 0 "[ . 1 . 2]" 1
723 1 38 ALA MB 1 43 ASP HB2 . . 3.280 2.621 2.301 3.035 . 0 0 "[ . 1 . 2]" 1
724 1 38 ALA MB 1 43 ASP HB3 . . 3.610 2.947 2.651 3.304 . 0 0 "[ . 1 . 2]" 1
725 1 39 ARG HA 1 39 ARG HG2 . . 3.810 2.605 2.312 2.780 . 0 0 "[ . 1 . 2]" 1
726 1 39 ARG HA 1 39 ARG HD2 . . 4.990 4.645 4.431 4.773 . 0 0 "[ . 1 . 2]" 1
727 1 38 ALA HA 1 39 ARG HA . . 4.610 4.416 4.380 4.436 . 0 0 "[ . 1 . 2]" 1
728 1 38 ALA MB 1 39 ARG HA . . 4.680 4.522 4.404 4.607 . 0 0 "[ . 1 . 2]" 1
729 1 39 ARG H 1 39 ARG HG3 . . 4.030 2.627 2.289 2.993 . 0 0 "[ . 1 . 2]" 1
730 1 39 ARG HG3 1 40 THR H . . 5.100 4.587 4.415 4.759 . 0 0 "[ . 1 . 2]" 1
731 1 39 ARG HG2 1 40 THR H . . 5.100 5.040 4.765 5.113 0.013 7 0 "[ . 1 . 2]" 1
732 1 39 ARG HA 1 39 ARG HG3 . . 3.810 2.773 2.539 3.511 . 0 0 "[ . 1 . 2]" 1
733 1 39 ARG HG3 1 40 THR MG . . 5.130 4.912 4.422 5.065 . 0 0 "[ . 1 . 2]" 1
734 1 39 ARG HG2 1 40 THR MG . . 5.130 4.636 4.411 5.042 . 0 0 "[ . 1 . 2]" 1
735 1 39 ARG HA 1 39 ARG HD3 . . 4.990 4.491 4.408 4.722 . 0 0 "[ . 1 . 2]" 1
736 1 36 TYR QE 1 39 ARG HD2 . . 5.490 3.647 3.048 5.356 . 0 0 "[ . 1 . 2]" 1
737 1 36 TYR QE 1 39 ARG HD3 . . 5.490 4.629 3.864 5.285 . 0 0 "[ . 1 . 2]" 1
738 1 39 ARG HD3 1 62 TRP HH2 . . 5.150 4.223 3.559 5.009 . 0 0 "[ . 1 . 2]" 1
739 1 39 ARG HD2 1 62 TRP HZ2 . . 5.500 4.929 4.241 5.502 0.002 10 0 "[ . 1 . 2]" 1
740 1 39 ARG HD3 1 62 TRP HZ2 . . 5.500 4.942 4.413 5.500 . 0 0 "[ . 1 . 2]" 1
741 1 39 ARG H 1 39 ARG HD2 . . 4.980 4.262 3.473 4.951 . 0 0 "[ . 1 . 2]" 1
742 1 39 ARG H 1 39 ARG HD3 . . 4.980 4.130 3.479 4.757 . 0 0 "[ . 1 . 2]" 1
743 1 40 THR H 1 40 THR MG . . 3.430 2.646 2.393 2.817 . 0 0 "[ . 1 . 2]" 1
744 1 40 THR MG 1 41 THR H . . 4.190 3.794 3.593 3.933 . 0 0 "[ . 1 . 2]" 1
745 1 40 THR MG 1 43 ASP H . . 4.480 4.086 2.462 4.474 . 0 0 "[ . 1 . 2]" 1
746 1 39 ARG HA 1 40 THR MG . . 4.230 4.031 3.816 4.221 . 0 0 "[ . 1 . 2]" 1
747 1 40 THR HA 1 40 THR MG . . 3.240 2.605 2.454 3.180 . 0 0 "[ . 1 . 2]" 1
748 1 40 THR MG 1 43 ASP HB2 . . 4.850 4.134 3.105 4.504 . 0 0 "[ . 1 . 2]" 1
749 1 39 ARG HB2 1 40 THR MG . . 3.580 2.948 2.453 3.232 . 0 0 "[ . 1 . 2]" 1
750 1 39 ARG HB3 1 40 THR MG . . 3.580 2.584 2.356 3.363 . 0 0 "[ . 1 . 2]" 1
751 1 41 THR HB 1 42 GLU H . . 5.500 3.719 2.478 4.206 . 0 0 "[ . 1 . 2]" 1
752 1 41 THR H 1 41 THR MG . . 3.760 2.540 1.843 3.773 0.013 19 0 "[ . 1 . 2]" 1
753 1 41 THR HA 1 41 THR MG . . 3.320 2.908 2.248 3.206 . 0 0 "[ . 1 . 2]" 1
754 1 42 GLU H 1 42 GLU HB2 . . 3.730 2.825 2.373 3.582 . 0 0 "[ . 1 . 2]" 1
755 1 42 GLU HB2 1 75 TYR QD . . 4.360 3.488 2.672 4.094 . 0 0 "[ . 1 . 2]" 1
756 1 42 GLU HB2 1 75 TYR QE . . 4.320 3.658 2.112 4.326 0.006 10 0 "[ . 1 . 2]" 1
757 1 42 GLU HB3 1 75 TYR QD . . 4.360 3.266 2.529 4.364 0.004 6 0 "[ . 1 . 2]" 1
758 1 42 GLU H 1 42 GLU HG2 . . 4.170 2.636 2.026 3.435 . 0 0 "[ . 1 . 2]" 1
759 1 42 GLU H 1 42 GLU HG3 . . 4.170 2.919 1.899 3.911 . 0 0 "[ . 1 . 2]" 1
760 1 42 GLU HG2 1 43 ASP H . . 5.500 4.104 2.275 5.058 . 0 0 "[ . 1 . 2]" 1
761 1 42 GLU HG3 1 43 ASP H . . 5.500 4.009 2.345 5.124 . 0 0 "[ . 1 . 2]" 1
762 1 42 GLU HG2 1 75 TYR QE . . 5.500 4.753 4.212 5.248 . 0 0 "[ . 1 . 2]" 1
763 1 42 GLU HG3 1 75 TYR QE . . 5.500 4.635 3.272 5.505 0.005 12 0 "[ . 1 . 2]" 1
764 1 41 THR MG 1 42 GLU HG2 . . 5.500 3.566 2.195 5.299 . 0 0 "[ . 1 . 2]" 1
765 1 41 THR MG 1 42 GLU HG3 . . 5.500 4.243 2.330 5.439 . 0 0 "[ . 1 . 2]" 1
766 1 40 THR MG 1 42 GLU HG2 . . 5.500 4.791 3.561 5.501 0.001 17 0 "[ . 1 . 2]" 1
767 1 40 THR MG 1 42 GLU HG3 . . 5.500 4.391 2.683 5.240 . 0 0 "[ . 1 . 2]" 1
768 1 43 ASP HA 1 75 TYR QD . . 4.650 3.361 3.129 3.817 . 0 0 "[ . 1 . 2]" 1
769 1 43 ASP HA 1 74 GLY HA2 . . 4.770 4.597 4.383 4.774 0.004 10 0 "[ . 1 . 2]" 1
770 1 40 THR H 1 43 ASP HB2 . . 3.600 2.079 1.895 2.332 . 0 0 "[ . 1 . 2]" 1
771 1 44 LEU HB3 1 46 PHE QD . . 4.240 2.963 2.815 3.286 . 0 0 "[ . 1 . 2]" 1
772 1 44 LEU HB2 1 46 PHE QD . . 4.970 4.666 4.525 4.965 . 0 0 "[ . 1 . 2]" 1
773 1 44 LEU HB2 1 74 GLY HA3 . . 4.720 2.310 2.147 2.442 . 0 0 "[ . 1 . 2]" 1
774 1 44 LEU HB2 1 76 ILE MD . . 5.210 5.066 4.904 5.221 0.011 16 0 "[ . 1 . 2]" 1
775 1 44 LEU H 1 44 LEU HG . . 4.610 4.461 4.390 4.582 . 0 0 "[ . 1 . 2]" 1
776 1 44 LEU HG 1 46 PHE QD . . 5.500 5.492 5.337 5.529 0.029 19 0 "[ . 1 . 2]" 1
777 1 44 LEU HG 1 75 TYR HA . . 5.500 5.420 5.333 5.502 0.002 7 0 "[ . 1 . 2]" 1
778 1 44 LEU HG 1 74 GLY HA3 . . 4.050 2.792 2.537 2.954 . 0 0 "[ . 1 . 2]" 1
779 1 44 LEU MD1 1 67 SER H . . 3.710 2.618 2.457 2.811 . 0 0 "[ . 1 . 2]" 1
780 1 44 LEU MD1 1 74 GLY H . . 3.500 2.808 2.544 3.042 . 0 0 "[ . 1 . 2]" 1
781 1 44 LEU MD1 1 73 SER H . . 4.630 4.374 4.123 4.592 . 0 0 "[ . 1 . 2]" 1
782 1 44 LEU H 1 44 LEU MD1 . . 4.520 4.361 4.322 4.450 . 0 0 "[ . 1 . 2]" 1
783 1 44 LEU MD1 1 45 SER H . . 4.410 4.309 4.217 4.425 0.015 7 0 "[ . 1 . 2]" 1
784 1 44 LEU MD1 1 52 PHE QE . . 3.320 3.102 2.882 3.315 . 0 0 "[ . 1 . 2]" 1
785 1 44 LEU MD1 1 52 PHE QD . . 3.600 2.442 2.307 2.640 . 0 0 "[ . 1 . 2]" 1
786 1 44 LEU MD1 1 73 SER HA . . 3.620 2.687 2.452 2.931 . 0 0 "[ . 1 . 2]" 1
787 1 44 LEU MD1 1 66 ARG HA . . 3.950 2.922 2.753 3.164 . 0 0 "[ . 1 . 2]" 1
788 1 44 LEU HA 1 44 LEU MD1 . . 3.910 3.819 3.806 3.828 . 0 0 "[ . 1 . 2]" 1
789 1 44 LEU MD1 1 67 SER HB3 . . 4.410 4.195 2.966 4.414 0.004 14 0 "[ . 1 . 2]" 1
790 1 44 LEU MD1 1 72 LYS HB3 . . 4.800 4.388 3.750 4.804 0.004 16 0 "[ . 1 . 2]" 1
791 1 44 LEU HB3 1 44 LEU MD1 . . 3.110 2.131 2.001 2.293 . 0 0 "[ . 1 . 2]" 1
792 1 44 LEU HB2 1 44 LEU MD1 . . 3.220 2.532 2.363 2.654 . 0 0 "[ . 1 . 2]" 1
793 1 44 LEU MD1 1 76 ILE MG . . 3.160 1.941 1.904 2.029 . 0 0 "[ . 1 . 2]" 1
794 1 44 LEU MD2 1 65 ALA H . . 5.500 5.528 5.509 5.581 0.081 15 0 "[ . 1 . 2]" 1
795 1 44 LEU MD2 1 67 SER H . . 3.900 3.393 3.284 3.482 . 0 0 "[ . 1 . 2]" 1
796 1 44 LEU MD2 1 74 GLY H . . 4.090 4.010 3.894 4.088 . 0 0 "[ . 1 . 2]" 1
797 1 44 LEU MD2 1 73 SER H . . 4.070 3.244 2.964 3.363 . 0 0 "[ . 1 . 2]" 1
798 1 44 LEU H 1 44 LEU MD2 . . 4.200 4.141 4.119 4.175 . 0 0 "[ . 1 . 2]" 1
799 1 44 LEU MD2 1 45 SER H . . 3.450 1.861 1.798 1.969 . 0 0 "[ . 1 . 2]" 1
800 1 44 LEU MD2 1 46 PHE QD . . 4.350 3.303 2.991 3.472 . 0 0 "[ . 1 . 2]" 1
801 1 44 LEU MD2 1 52 PHE QE . . 3.540 3.147 2.779 3.360 . 0 0 "[ . 1 . 2]" 1
802 1 44 LEU MD2 1 52 PHE QD . . 3.800 3.613 3.297 3.766 . 0 0 "[ . 1 . 2]" 1
803 1 44 LEU MD2 1 73 SER HA . . 3.670 3.531 3.469 3.614 . 0 0 "[ . 1 . 2]" 1
804 1 44 LEU HA 1 44 LEU MD2 . . 3.030 2.059 1.952 2.377 . 0 0 "[ . 1 . 2]" 1
805 1 44 LEU MD2 1 72 LYS HA . . 4.510 4.282 3.917 4.468 . 0 0 "[ . 1 . 2]" 1
806 1 44 LEU MD2 1 67 SER HB3 . . 4.540 4.026 2.841 4.439 . 0 0 "[ . 1 . 2]" 1
807 1 44 LEU MD2 1 74 GLY HA3 . . 3.750 3.714 3.632 3.781 0.031 10 0 "[ . 1 . 2]" 1
808 1 44 LEU MD2 1 73 SER HB2 . . 5.460 5.431 5.320 5.496 0.036 5 0 "[ . 1 . 2]" 1
809 1 44 LEU MD2 1 73 SER HB3 . . 5.450 5.271 5.138 5.381 . 0 0 "[ . 1 . 2]" 1
810 1 44 LEU MD2 1 72 LYS HB3 . . 3.960 2.458 1.851 2.804 . 0 0 "[ . 1 . 2]" 1
811 1 44 LEU HB3 1 44 LEU MD2 . . 3.020 2.576 2.414 2.638 . 0 0 "[ . 1 . 2]" 1
812 1 44 LEU HB2 1 44 LEU MD2 . . 3.470 3.151 3.133 3.178 . 0 0 "[ . 1 . 2]" 1
813 1 44 LEU MD2 1 76 ILE MG . . 3.410 3.302 3.127 3.419 0.009 8 0 "[ . 1 . 2]" 1
814 1 38 ALA MB 1 45 SER HB2 . . 4.540 3.067 1.817 3.561 . 0 0 "[ . 1 . 2]" 1
815 1 45 SER H 1 45 SER HB2 . . 3.730 3.171 2.252 3.643 . 0 0 "[ . 1 . 2]" 1
816 1 38 ALA MB 1 45 SER HB3 . . 4.540 2.556 1.796 3.715 . 0 0 "[ . 1 . 2]" 1
817 1 46 PHE HA 1 47 LYS HG2 . . 4.700 3.632 3.392 3.945 . 0 0 "[ . 1 . 2]" 1
818 1 32 ALA MB 1 46 PHE HA . . 5.270 4.824 4.743 4.914 . 0 0 "[ . 1 . 2]" 1
819 1 46 PHE HA 1 52 PHE HZ . . 4.710 2.372 2.208 2.647 . 0 0 "[ . 1 . 2]" 1
820 1 46 PHE HA 1 46 PHE QD . . 4.110 3.696 3.630 3.721 . 0 0 "[ . 1 . 2]" 1
821 1 32 ALA MB 1 46 PHE HB2 . . 4.490 2.887 2.790 2.956 . 0 0 "[ . 1 . 2]" 1
822 1 46 PHE HB2 1 52 PHE HZ . . 4.230 1.998 1.992 2.005 . 0 0 "[ . 1 . 2]" 1
823 1 46 PHE HB2 1 52 PHE QE . . 4.740 2.490 2.301 2.801 . 0 0 "[ . 1 . 2]" 1
824 1 32 ALA MB 1 46 PHE HB3 . . 4.600 4.096 3.922 4.176 . 0 0 "[ . 1 . 2]" 1
825 1 46 PHE HB3 1 52 PHE HZ . . 4.170 2.374 2.167 2.508 . 0 0 "[ . 1 . 2]" 1
826 1 46 PHE HB3 1 52 PHE QE . . 4.610 2.842 2.676 2.935 . 0 0 "[ . 1 . 2]" 1
827 1 47 LYS HB2 1 48 LYS H . . 3.830 3.662 3.473 3.779 . 0 0 "[ . 1 . 2]" 1
828 1 47 LYS H 1 47 LYS HB2 . . 3.910 2.633 2.500 2.727 . 0 0 "[ . 1 . 2]" 1
829 1 47 LYS HG2 1 48 LYS H . . 5.250 4.690 4.493 4.853 . 0 0 "[ . 1 . 2]" 1
830 1 47 LYS HG3 1 48 LYS H . . 5.500 4.803 4.583 4.971 . 0 0 "[ . 1 . 2]" 1
831 1 47 LYS HA 1 47 LYS HG2 . . 3.700 2.845 2.664 2.985 . 0 0 "[ . 1 . 2]" 1
832 1 47 LYS HD3 1 48 LYS H . . 4.480 3.693 3.229 4.172 . 0 0 "[ . 1 . 2]" 1
833 1 47 LYS HD2 1 48 LYS H . . 4.480 3.739 3.268 4.357 . 0 0 "[ . 1 . 2]" 1
834 1 47 LYS HA 1 47 LYS HD3 . . 3.740 2.240 2.019 2.530 . 0 0 "[ . 1 . 2]" 1
835 1 47 LYS HA 1 47 LYS HD2 . . 3.740 3.231 2.758 3.674 . 0 0 "[ . 1 . 2]" 1
836 1 47 LYS HA 1 47 LYS HE2 . . 5.500 4.443 3.983 4.823 . 0 0 "[ . 1 . 2]" 1
837 1 47 LYS HA 1 47 LYS HE3 . . 5.500 4.638 3.833 4.955 . 0 0 "[ . 1 . 2]" 1
838 1 72 LYS HB2 1 72 LYS HE2 . . 5.380 3.807 2.455 4.873 . 0 0 "[ . 1 . 2]" 1
839 1 72 LYS HB2 1 72 LYS HE3 . . 5.380 3.919 2.403 4.635 . 0 0 "[ . 1 . 2]" 1
840 1 47 LYS HE3 1 47 LYS HG2 . . 3.930 2.926 2.167 3.803 . 0 0 "[ . 1 . 2]" 1
841 1 48 LYS HA 1 48 LYS HG3 . . 3.520 2.617 2.516 2.764 . 0 0 "[ . 1 . 2]" 1
842 1 31 VAL MG1 1 48 LYS HA . . 4.810 4.653 4.500 4.814 0.004 6 0 "[ . 1 . 2]" 1
843 1 48 LYS HA 1 49 GLY HA3 . . 4.520 4.386 4.383 4.394 . 0 0 "[ . 1 . 2]" 1
844 1 34 TYR HA 1 48 LYS HA . . 4.860 4.179 4.050 4.262 . 0 0 "[ . 1 . 2]" 1
845 1 47 LYS HA 1 48 LYS HA . . 4.750 4.301 4.298 4.307 . 0 0 "[ . 1 . 2]" 1
846 1 34 TYR H 1 48 LYS HA . . 4.330 4.082 3.921 4.186 . 0 0 "[ . 1 . 2]" 1
847 1 46 PHE QD 1 48 LYS HA . . 4.830 4.629 4.537 4.734 . 0 0 "[ . 1 . 2]" 1
848 1 48 LYS HA 1 50 GLU H . . 3.960 3.688 3.533 3.900 . 0 0 "[ . 1 . 2]" 1
849 1 48 LYS HB2 1 49 GLY H . . 4.560 4.301 4.219 4.415 . 0 0 "[ . 1 . 2]" 1
850 1 35 ASP H 1 48 LYS HB2 . . 4.500 2.823 2.614 3.002 . 0 0 "[ . 1 . 2]" 1
851 1 47 LYS HA 1 48 LYS HB3 . . 4.960 4.773 4.653 4.891 . 0 0 "[ . 1 . 2]" 1
852 1 47 LYS HA 1 48 LYS HB2 . . 4.960 4.750 4.667 4.836 . 0 0 "[ . 1 . 2]" 1
853 1 34 TYR HA 1 48 LYS HB2 . . 4.780 2.834 2.606 2.990 . 0 0 "[ . 1 . 2]" 1
854 1 34 TYR HA 1 48 LYS HB3 . . 4.780 4.514 4.214 4.666 . 0 0 "[ . 1 . 2]" 1
855 1 48 LYS HB3 1 48 LYS HE2 . . 5.460 4.434 4.192 4.850 . 0 0 "[ . 1 . 2]" 1
856 1 48 LYS HB3 1 48 LYS HE3 . . 5.460 4.694 4.286 5.005 . 0 0 "[ . 1 . 2]" 1
857 1 48 LYS HB2 1 48 LYS HE2 . . 5.460 4.533 4.093 4.729 . 0 0 "[ . 1 . 2]" 1
858 1 48 LYS HB2 1 48 LYS HE3 . . 5.460 4.382 4.033 4.717 . 0 0 "[ . 1 . 2]" 1
859 1 48 LYS HG2 1 49 GLY HA2 . . 5.110 4.385 4.245 4.549 . 0 0 "[ . 1 . 2]" 1
860 1 48 LYS HG3 1 49 GLY HA2 . . 5.410 4.380 4.185 4.543 . 0 0 "[ . 1 . 2]" 1
861 1 33 LEU HA 1 48 LYS HG3 . . 4.150 3.065 2.842 3.314 . 0 0 "[ . 1 . 2]" 1
862 1 48 LYS HG2 1 49 GLY HA3 . . 4.960 3.778 3.611 3.984 . 0 0 "[ . 1 . 2]" 1
863 1 48 LYS HG3 1 49 GLY HA3 . . 5.500 4.429 4.247 4.626 . 0 0 "[ . 1 . 2]" 1
864 1 34 TYR HA 1 48 LYS HG3 . . 4.330 3.916 3.548 4.211 . 0 0 "[ . 1 . 2]" 1
865 1 48 LYS H 1 48 LYS HG2 . . 5.020 4.356 4.256 4.429 . 0 0 "[ . 1 . 2]" 1
866 1 48 LYS H 1 48 LYS HG3 . . 5.410 4.491 4.464 4.536 . 0 0 "[ . 1 . 2]" 1
867 1 48 LYS H 1 48 LYS HD3 . . 5.240 4.885 4.725 5.112 . 0 0 "[ . 1 . 2]" 1
868 1 48 LYS H 1 48 LYS HD2 . . 5.240 5.012 4.827 5.194 . 0 0 "[ . 1 . 2]" 1
869 1 35 ASP H 1 48 LYS HD3 . . 5.110 4.664 4.348 4.960 . 0 0 "[ . 1 . 2]" 1
870 1 35 ASP H 1 48 LYS HD2 . . 5.110 3.827 3.367 4.152 . 0 0 "[ . 1 . 2]" 1
871 1 34 TYR HA 1 48 LYS HD3 . . 4.440 4.328 4.029 4.438 . 0 0 "[ . 1 . 2]" 1
872 1 34 TYR HA 1 48 LYS HD2 . . 4.440 2.800 2.465 3.047 . 0 0 "[ . 1 . 2]" 1
873 1 32 ALA MB 1 49 GLY HA2 . . 4.950 4.416 4.303 4.544 . 0 0 "[ . 1 . 2]" 1
874 1 50 GLU HA 1 51 ARG HA . . 4.940 4.362 4.358 4.367 . 0 0 "[ . 1 . 2]" 1
875 1 50 GLU HA 1 50 GLU HG2 . . 3.760 3.124 2.787 3.736 . 0 0 "[ . 1 . 2]" 1
876 1 50 GLU HA 1 51 ARG HB2 . . 4.830 4.533 4.468 4.688 . 0 0 "[ . 1 . 2]" 1
877 1 31 VAL MG2 1 50 GLU HA . . 5.060 4.726 4.524 4.833 . 0 0 "[ . 1 . 2]" 1
878 1 31 VAL MG1 1 50 GLU HA . . 5.500 4.805 4.634 4.926 . 0 0 "[ . 1 . 2]" 1
879 1 46 PHE HB3 1 50 GLU HB2 . . 5.500 5.469 5.220 5.508 0.008 20 0 "[ . 1 . 2]" 1
880 1 46 PHE HA 1 50 GLU HB2 . . 5.000 4.565 4.470 4.712 . 0 0 "[ . 1 . 2]" 1
881 1 47 LYS HA 1 50 GLU HB2 . . 5.500 4.877 4.725 5.065 . 0 0 "[ . 1 . 2]" 1
882 1 50 GLU HB2 1 52 PHE HZ . . 4.770 3.349 3.238 3.469 . 0 0 "[ . 1 . 2]" 1
883 1 50 GLU HB2 1 52 PHE QE . . 4.790 3.673 3.588 3.812 . 0 0 "[ . 1 . 2]" 1
884 1 46 PHE QD 1 50 GLU HB2 . . 5.500 5.325 5.217 5.500 . 19 0 "[ . 1 . 2]" 1
885 1 46 PHE HB2 1 50 GLU HB2 . . 4.220 4.184 4.091 4.227 0.007 4 0 "[ . 1 . 2]" 1
886 1 47 LYS H 1 50 GLU HB3 . . 4.130 2.742 2.585 2.933 . 0 0 "[ . 1 . 2]" 1
887 1 50 GLU H 1 50 GLU HB3 . . 3.330 2.858 2.722 2.948 . 0 0 "[ . 1 . 2]" 1
888 1 46 PHE QD 1 50 GLU HB3 . . 4.570 4.509 4.337 4.576 0.006 18 0 "[ . 1 . 2]" 1
889 1 50 GLU HB3 1 52 PHE QE . . 4.210 2.065 1.988 2.175 . 0 0 "[ . 1 . 2]" 1
890 1 50 GLU HB3 1 52 PHE HZ . . 4.460 2.097 2.016 2.209 . 0 0 "[ . 1 . 2]" 1
891 1 46 PHE HA 1 50 GLU HB3 . . 4.580 4.018 3.907 4.207 . 0 0 "[ . 1 . 2]" 1
892 1 46 PHE HB3 1 50 GLU HB3 . . 4.540 4.187 3.968 4.250 . 0 0 "[ . 1 . 2]" 1
893 1 46 PHE HB2 1 50 GLU HB3 . . 4.390 3.027 2.922 3.089 . 0 0 "[ . 1 . 2]" 1
894 1 50 GLU H 1 50 GLU HG3 . . 4.820 4.540 4.467 4.602 . 0 0 "[ . 1 . 2]" 1
895 1 50 GLU HG3 1 51 ARG H . . 4.040 2.993 2.157 3.492 . 0 0 "[ . 1 . 2]" 1
896 1 50 GLU HA 1 50 GLU HG3 . . 3.760 2.456 2.231 2.852 . 0 0 "[ . 1 . 2]" 1
897 1 31 VAL HA 1 51 ARG HA . . 3.510 2.602 2.463 2.691 . 0 0 "[ . 1 . 2]" 1
898 1 51 ARG HA 1 52 PHE QD . . 4.460 3.042 2.848 3.160 . 0 0 "[ . 1 . 2]" 1
899 1 32 ALA H 1 51 ARG HA . . 4.350 3.944 3.853 4.045 . 0 0 "[ . 1 . 2]" 1
900 1 29 ILE MG 1 51 ARG HB3 . . 3.810 3.320 3.220 3.408 . 0 0 "[ . 1 . 2]" 1
901 1 29 ILE MG 1 51 ARG HB2 . . 5.140 4.698 4.593 4.791 . 0 0 "[ . 1 . 2]" 1
902 1 51 ARG HB2 1 68 ILE MG . . 5.500 4.885 4.650 5.215 . 0 0 "[ . 1 . 2]" 1
903 1 29 ILE MD 1 51 ARG HB3 . . 4.470 3.125 3.043 3.209 . 0 0 "[ . 1 . 2]" 1
904 1 51 ARG HB3 1 68 ILE MD . . 4.640 2.551 2.242 2.934 . 0 0 "[ . 1 . 2]" 1
905 1 51 ARG HB2 1 68 ILE MD . . 3.970 2.843 2.400 3.393 . 0 0 "[ . 1 . 2]" 1
906 1 51 ARG HA 1 51 ARG HG3 . . 3.810 3.335 3.230 3.488 . 0 0 "[ . 1 . 2]" 1
907 1 51 ARG HA 1 51 ARG HG2 . . 3.960 2.354 2.289 2.467 . 0 0 "[ . 1 . 2]" 1
908 1 51 ARG HA 1 51 ARG HD2 . . 4.780 4.441 4.316 4.551 . 0 0 "[ . 1 . 2]" 1
909 1 51 ARG HA 1 51 ARG HD3 . . 4.510 3.952 3.844 4.084 . 0 0 "[ . 1 . 2]" 1
910 1 51 ARG HB3 1 51 ARG HD3 . . 3.730 2.566 2.369 2.721 . 0 0 "[ . 1 . 2]" 1
911 1 51 ARG HB2 1 51 ARG HD3 . . 3.700 3.536 3.381 3.681 . 0 0 "[ . 1 . 2]" 1
912 1 51 ARG HB3 1 51 ARG HD2 . . 3.660 2.498 2.310 2.690 . 0 0 "[ . 1 . 2]" 1
913 1 51 ARG HB2 1 51 ARG HD2 . . 3.630 2.689 2.584 2.792 . 0 0 "[ . 1 . 2]" 1
914 1 51 ARG HD2 1 84 ALA MB . . 5.500 5.465 5.370 5.505 0.005 9 0 "[ . 1 . 2]" 1
915 1 51 ARG HD3 1 84 ALA MB . . 4.410 4.118 3.999 4.310 . 0 0 "[ . 1 . 2]" 1
916 1 29 ILE MG 1 51 ARG HD2 . . 3.560 3.413 3.233 3.563 0.003 15 0 "[ . 1 . 2]" 1
917 1 29 ILE MD 1 51 ARG HD2 . . 4.250 3.312 3.024 3.510 . 0 0 "[ . 1 . 2]" 1
918 1 29 ILE MD 1 51 ARG HD3 . . 4.090 2.913 2.620 3.398 . 0 0 "[ . 1 . 2]" 1
919 1 29 ILE MG 1 51 ARG HD3 . . 3.560 2.209 2.078 2.463 . 0 0 "[ . 1 . 2]" 1
920 1 51 ARG H 1 51 ARG HD3 . . 5.240 5.195 5.127 5.241 0.001 8 0 "[ . 1 . 2]" 1
921 1 51 ARG HD2 1 52 PHE H . . 5.410 4.915 4.728 5.085 . 0 0 "[ . 1 . 2]" 1
922 1 51 ARG HD3 1 52 PHE H . . 4.900 4.442 4.127 4.694 . 0 0 "[ . 1 . 2]" 1
923 1 52 PHE HA 1 68 ILE HG13 . . 4.370 2.534 2.366 2.602 . 0 0 "[ . 1 . 2]" 1
924 1 52 PHE HA 1 68 ILE HB . . 4.850 4.751 4.571 4.861 0.011 15 0 "[ . 1 . 2]" 1
925 1 52 PHE HA 1 53 GLN HB2 . . 4.690 4.361 4.325 4.437 . 0 0 "[ . 1 . 2]" 1
926 1 52 PHE HA 1 67 SER HA . . 3.860 2.338 2.148 2.615 . 0 0 "[ . 1 . 2]" 1
927 1 52 PHE HA 1 52 PHE QD . . 3.850 3.027 2.968 3.123 . 0 0 "[ . 1 . 2]" 1
928 1 52 PHE HB2 1 53 GLN H . . 4.250 3.981 3.859 4.057 . 0 0 "[ . 1 . 2]" 1
929 1 52 PHE HB3 1 54 ILE MD . . 4.560 4.101 3.965 4.257 . 0 0 "[ . 1 . 2]" 1
930 1 53 GLN HB2 1 66 ARG H . . 4.420 3.054 2.978 3.140 . 0 0 "[ . 1 . 2]" 1
931 1 53 GLN HB2 1 68 ILE MD . . 4.150 4.051 3.836 4.155 0.005 20 0 "[ . 1 . 2]" 1
932 1 27 VAL MG1 1 53 GLN HB3 . . 4.110 2.272 1.972 2.974 . 0 0 "[ . 1 . 2]" 1
933 1 53 GLN HA 1 53 GLN HG3 . . 4.000 2.569 2.501 2.620 . 0 0 "[ . 1 . 2]" 1
934 1 53 GLN HA 1 53 GLN HG2 . . 3.940 2.662 2.599 2.731 . 0 0 "[ . 1 . 2]" 1
935 1 53 GLN HG3 1 68 ILE MG . . 4.370 3.900 3.506 4.141 . 0 0 "[ . 1 . 2]" 1
936 1 27 VAL MG1 1 53 GLN HG2 . . 4.040 2.121 1.977 2.310 . 0 0 "[ . 1 . 2]" 1
937 1 54 ILE HA 1 65 ALA HA . . 3.650 2.693 2.636 2.749 . 0 0 "[ . 1 . 2]" 1
938 1 54 ILE HB 1 55 ILE H . . 4.750 4.351 4.322 4.395 . 0 0 "[ . 1 . 2]" 1
939 1 30 PHE QE 1 54 ILE HB . . 4.960 4.277 3.968 4.452 . 0 0 "[ . 1 . 2]" 1
940 1 30 PHE QD 1 54 ILE HB . . 4.560 4.145 3.978 4.312 . 0 0 "[ . 1 . 2]" 1
941 1 53 GLN HA 1 54 ILE HB . . 4.780 4.673 4.630 4.705 . 0 0 "[ . 1 . 2]" 1
942 1 28 THR HB 1 54 ILE HB . . 4.330 3.164 3.020 3.280 . 0 0 "[ . 1 . 2]" 1
943 1 28 THR MG 1 54 ILE HB . . 4.890 4.669 4.528 4.764 . 0 0 "[ . 1 . 2]" 1
944 1 30 PHE QD 1 54 ILE HG12 . . 4.280 2.470 2.238 2.621 . 0 0 "[ . 1 . 2]" 1
945 1 28 THR HB 1 54 ILE HG12 . . 5.140 3.580 3.342 3.801 . 0 0 "[ . 1 . 2]" 1
946 1 54 ILE HG13 1 63 TRP HE3 . . 4.670 4.053 3.598 4.272 . 0 0 "[ . 1 . 2]" 1
947 1 28 THR HB 1 54 ILE HG13 . . 4.750 3.086 2.871 3.288 . 0 0 "[ . 1 . 2]" 1
948 1 54 ILE H 1 54 ILE MG . . 4.000 3.767 3.765 3.769 . 0 0 "[ . 1 . 2]" 1
949 1 54 ILE MG 1 55 ILE H . . 3.350 2.911 2.786 3.005 . 0 0 "[ . 1 . 2]" 1
950 1 54 ILE MG 1 56 ASN H . . 3.290 3.008 2.889 3.177 . 0 0 "[ . 1 . 2]" 1
951 1 54 ILE MG 1 63 TRP HE3 . . 3.560 3.497 3.408 3.567 0.007 12 0 "[ . 1 . 2]" 1
952 1 54 ILE MG 1 63 TRP HZ3 . . 4.790 4.760 4.601 4.795 0.005 15 0 "[ . 1 . 2]" 1
953 1 54 ILE MG 1 63 TRP HA . . 4.730 4.648 4.519 4.732 0.002 3 0 "[ . 1 . 2]" 1
954 1 54 ILE MG 1 65 ALA HA . . 4.240 4.162 4.122 4.247 0.007 12 0 "[ . 1 . 2]" 1
955 1 54 ILE HA 1 54 ILE MG . . 3.120 2.286 2.242 2.391 . 0 0 "[ . 1 . 2]" 1
956 1 54 ILE MG 1 57 ASN HB2 . . 3.720 3.523 2.879 3.652 . 0 0 "[ . 1 . 2]" 1
957 1 54 ILE HG12 1 54 ILE MG . . 3.450 3.184 3.180 3.186 . 0 0 "[ . 1 . 2]" 1
958 1 54 ILE MG 1 57 ASN HB3 . . 3.720 2.307 2.121 3.755 0.035 12 0 "[ . 1 . 2]" 1
959 1 54 ILE MG 1 65 ALA MB . . 3.870 3.567 3.484 3.704 . 0 0 "[ . 1 . 2]" 1
960 1 54 ILE HG13 1 54 ILE MG . . 3.140 2.281 2.226 2.329 . 0 0 "[ . 1 . 2]" 1
961 1 54 ILE H 1 54 ILE MD . . 3.610 3.057 2.810 3.171 . 0 0 "[ . 1 . 2]" 1
962 1 30 PHE H 1 54 ILE MD . . 4.590 4.402 4.206 4.525 . 0 0 "[ . 1 . 2]" 1
963 1 54 ILE MD 1 55 ILE H . . 4.010 3.778 3.676 3.873 . 0 0 "[ . 1 . 2]" 1
964 1 30 PHE QE 1 54 ILE MD . . 4.490 3.895 3.823 4.021 . 0 0 "[ . 1 . 2]" 1
965 1 30 PHE QD 1 54 ILE MD . . 3.690 3.122 2.975 3.213 . 0 0 "[ . 1 . 2]" 1
966 1 52 PHE HA 1 54 ILE MD . . 5.500 5.309 5.131 5.466 . 0 0 "[ . 1 . 2]" 1
967 1 54 ILE MD 1 63 TRP HA . . 5.500 5.204 5.037 5.342 . 0 0 "[ . 1 . 2]" 1
968 1 54 ILE MD 1 65 ALA HA . . 3.930 3.814 3.652 3.889 . 0 0 "[ . 1 . 2]" 1
969 1 52 PHE HB2 1 54 ILE MD . . 3.810 3.349 3.244 3.554 . 0 0 "[ . 1 . 2]" 1
970 1 55 ILE HA 1 65 ALA HA . . 5.120 4.504 4.356 4.613 . 0 0 "[ . 1 . 2]" 1
971 1 55 ILE HA 1 56 ASN HA . . 5.120 4.550 4.546 4.558 . 0 0 "[ . 1 . 2]" 1
972 1 54 ILE MG 1 55 ILE HA . . 4.650 4.175 3.975 4.251 . 0 0 "[ . 1 . 2]" 1
973 1 55 ILE HA 1 55 ILE HG13 . . 3.600 2.813 2.758 2.882 . 0 0 "[ . 1 . 2]" 1
974 1 55 ILE HB 1 65 ALA HA . . 4.590 3.449 3.325 3.581 . 0 0 "[ . 1 . 2]" 1
975 1 54 ILE HA 1 55 ILE HB . . 4.970 4.711 4.677 4.750 . 0 0 "[ . 1 . 2]" 1
976 1 55 ILE HB 1 64 GLU HB3 . . 3.870 2.922 2.828 3.042 . 0 0 "[ . 1 . 2]" 1
977 1 55 ILE HB 1 64 GLU HG2 . . 3.760 2.519 2.365 2.632 . 0 0 "[ . 1 . 2]" 1
978 1 55 ILE HB 1 55 ILE MD . . 3.370 2.124 2.099 2.155 . 0 0 "[ . 1 . 2]" 1
979 1 54 ILE MG 1 55 ILE HB . . 4.960 4.641 4.568 4.726 . 0 0 "[ . 1 . 2]" 1
980 1 55 ILE H 1 55 ILE HG13 . . 4.030 2.210 2.115 2.296 . 0 0 "[ . 1 . 2]" 1
981 1 55 ILE HG13 1 65 ALA HA . . 4.260 2.353 2.190 2.501 . 0 0 "[ . 1 . 2]" 1
982 1 55 ILE HG13 1 64 GLU HG2 . . 5.050 4.226 4.128 4.342 . 0 0 "[ . 1 . 2]" 1
983 1 55 ILE HG13 1 66 ARG HB3 . . 5.250 3.721 3.596 3.823 . 0 0 "[ . 1 . 2]" 1
984 1 55 ILE HG13 1 55 ILE MG . . 3.350 3.152 3.135 3.171 . 0 0 "[ . 1 . 2]" 1
985 1 54 ILE MG 1 55 ILE HG13 . . 4.800 4.785 4.714 4.809 0.009 4 0 "[ . 1 . 2]" 1
986 1 55 ILE HG12 1 66 ARG H . . 4.420 4.202 4.000 4.297 . 0 0 "[ . 1 . 2]" 1
987 1 55 ILE H 1 55 ILE HG12 . . 3.860 3.686 3.591 3.751 . 0 0 "[ . 1 . 2]" 1
988 1 55 ILE HG12 1 56 ASN H . . 5.010 4.961 4.895 5.013 0.003 10 0 "[ . 1 . 2]" 1
989 1 55 ILE HG12 1 65 ALA HA . . 4.270 4.045 3.878 4.168 . 0 0 "[ . 1 . 2]" 1
990 1 55 ILE HA 1 55 ILE HG12 . . 3.780 2.824 2.775 2.857 . 0 0 "[ . 1 . 2]" 1
991 1 55 ILE HG12 1 66 ARG HB3 . . 4.210 3.852 3.716 3.983 . 0 0 "[ . 1 . 2]" 1
992 1 55 ILE H 1 55 ILE MG . . 3.960 3.789 3.784 3.799 . 0 0 "[ . 1 . 2]" 1
993 1 55 ILE MG 1 56 ASN H . . 3.580 3.411 3.234 3.562 . 0 0 "[ . 1 . 2]" 1
994 1 55 ILE MG 1 66 ARG H . . 5.500 5.463 5.340 5.505 0.005 9 0 "[ . 1 . 2]" 1
995 1 55 ILE MG 1 65 ALA HA . . 4.730 4.648 4.523 4.729 . 0 0 "[ . 1 . 2]" 1
996 1 55 ILE HA 1 55 ILE MG . . 2.930 2.319 2.217 2.425 . 0 0 "[ . 1 . 2]" 1
997 1 55 ILE MG 1 56 ASN HB3 . . 4.450 4.395 4.281 4.452 0.002 11 0 "[ . 1 . 2]" 1
998 1 55 ILE MG 1 56 ASN HB2 . . 3.630 3.012 2.857 3.156 . 0 0 "[ . 1 . 2]" 1
999 1 55 ILE MG 1 64 GLU HB3 . . 3.990 3.880 3.794 3.993 0.003 15 0 "[ . 1 . 2]" 1
1000 1 55 ILE MG 1 64 GLU HG2 . . 3.570 3.465 3.340 3.571 0.001 7 0 "[ . 1 . 2]" 1
1001 1 55 ILE MD 1 64 GLU HB3 . . 3.990 3.783 3.685 3.926 . 0 0 "[ . 1 . 2]" 1
1002 1 55 ILE MD 1 73 SER HB3 . . 3.890 3.755 3.501 3.894 0.004 6 0 "[ . 1 . 2]" 1
1003 1 54 ILE HA 1 55 ILE MD . . 4.790 4.711 4.646 4.791 0.001 11 0 "[ . 1 . 2]" 1
1004 1 55 ILE MD 1 65 ALA HA . . 3.820 2.649 2.578 2.782 . 0 0 "[ . 1 . 2]" 1
1005 1 55 ILE MD 1 66 ARG HA . . 4.120 3.205 3.115 3.347 . 0 0 "[ . 1 . 2]" 1
1006 1 55 ILE MD 1 73 SER HA . . 4.380 4.046 3.922 4.161 . 0 0 "[ . 1 . 2]" 1
1007 1 55 ILE MD 1 56 ASN H . . 4.270 4.052 3.981 4.130 . 0 0 "[ . 1 . 2]" 1
1008 1 55 ILE H 1 55 ILE MD . . 3.760 3.287 3.214 3.391 . 0 0 "[ . 1 . 2]" 1
1009 1 55 ILE MD 1 66 ARG H . . 3.890 2.689 2.525 2.787 . 0 0 "[ . 1 . 2]" 1
1010 1 55 ILE MD 1 65 ALA H . . 4.160 3.713 3.536 3.874 . 0 0 "[ . 1 . 2]" 1
1011 1 56 ASN HB2 1 64 GLU H . . 4.510 4.378 4.217 4.510 0.000 7 0 "[ . 1 . 2]" 1
1012 1 56 ASN HB3 1 64 GLU HB3 . . 3.870 2.476 2.273 2.568 . 0 0 "[ . 1 . 2]" 1
1013 1 56 ASN HB2 1 64 GLU HB3 . . 3.950 2.834 2.644 2.941 . 0 0 "[ . 1 . 2]" 1
1014 1 56 ASN HB2 1 64 GLU HG2 . . 4.710 4.365 4.141 4.618 . 0 0 "[ . 1 . 2]" 1
1015 1 56 ASN HB2 1 64 GLU HB2 . . 4.260 4.111 3.961 4.215 . 0 0 "[ . 1 . 2]" 1
1016 1 56 ASN HB3 1 64 GLU HG2 . . 4.830 4.673 4.512 4.832 0.002 17 0 "[ . 1 . 2]" 1
1017 1 54 ILE MG 1 57 ASN HA . . 4.150 3.552 3.400 3.633 . 0 0 "[ . 1 . 2]" 1
1018 1 57 ASN HA 1 63 TRP HD1 . . 3.920 2.567 2.241 2.866 . 0 0 "[ . 1 . 2]" 1
1019 1 57 ASN HA 1 64 GLU H . . 4.850 3.844 3.619 3.980 . 0 0 "[ . 1 . 2]" 1
1020 1 58 THR HA 1 58 THR MG . . 3.210 3.204 3.195 3.208 . 0 0 "[ . 1 . 2]" 1
1021 1 56 ASN HD22 1 58 THR MG . . 4.260 3.115 2.708 3.648 . 0 0 "[ . 1 . 2]" 1
1022 1 58 THR MG 1 63 TRP HD1 . . 4.980 4.440 3.997 4.792 . 0 0 "[ . 1 . 2]" 1
1023 1 57 ASN H 1 58 THR MG . . 4.260 4.118 3.885 4.262 0.002 6 0 "[ . 1 . 2]" 1
1024 1 56 ASN HB3 1 58 THR MG . . 4.650 3.402 3.196 3.756 . 0 0 "[ . 1 . 2]" 1
1025 1 58 THR MG 1 59 GLU HG3 . . 4.910 2.498 2.005 3.827 . 0 0 "[ . 1 . 2]" 1
1026 1 59 GLU H 1 59 GLU HB2 . . 3.690 2.736 2.370 3.697 0.007 18 0 "[ . 1 . 2]" 1
1027 1 59 GLU HA 1 59 GLU HG2 . . 3.950 2.713 2.317 3.814 . 0 0 "[ . 1 . 2]" 1
1028 1 59 GLU HA 1 59 GLU HG3 . . 3.950 3.476 3.290 3.845 . 0 0 "[ . 1 . 2]" 1
1029 1 58 THR MG 1 59 GLU HG2 . . 4.910 2.576 1.974 3.000 . 0 0 "[ . 1 . 2]" 1
1030 1 61 ASP HA 1 62 TRP HD1 . . 5.030 3.846 3.645 4.079 . 0 0 "[ . 1 . 2]" 1
1031 1 62 TRP HB2 1 75 TYR QD . . 4.540 4.505 4.366 4.553 0.013 15 0 "[ . 1 . 2]" 1
1032 1 62 TRP HB3 1 75 TYR QD . . 4.570 4.202 4.019 4.295 . 0 0 "[ . 1 . 2]" 1
1033 1 62 TRP H 1 62 TRP HB3 . . 3.950 3.871 3.787 3.936 . 0 0 "[ . 1 . 2]" 1
1034 1 57 ASN HA 1 63 TRP HA . . 4.220 3.253 3.004 3.497 . 0 0 "[ . 1 . 2]" 1
1035 1 63 TRP HB2 1 76 ILE MD . . 4.820 3.774 3.593 3.928 . 0 0 "[ . 1 . 2]" 1
1036 1 63 TRP HB3 1 76 ILE MD . . 4.820 4.604 4.414 4.791 . 0 0 "[ . 1 . 2]" 1
1037 1 64 GLU HA 1 75 TYR HA . . 3.540 2.398 2.249 2.525 . 0 0 "[ . 1 . 2]" 1
1038 1 64 GLU HA 1 75 TYR HB3 . . 4.550 4.295 4.048 4.457 . 0 0 "[ . 1 . 2]" 1
1039 1 64 GLU HB2 1 65 ALA H . . 4.470 4.369 4.275 4.437 . 0 0 "[ . 1 . 2]" 1
1040 1 56 ASN H 1 64 GLU HB2 . . 4.200 4.173 4.119 4.207 0.007 12 0 "[ . 1 . 2]" 1
1041 1 63 TRP HA 1 64 GLU HB3 . . 4.770 4.704 4.625 4.758 . 0 0 "[ . 1 . 2]" 1
1042 1 63 TRP HA 1 64 GLU HB2 . . 5.380 4.414 4.369 4.479 . 0 0 "[ . 1 . 2]" 1
1043 1 64 GLU HB2 1 75 TYR HA . . 5.500 4.157 3.979 4.325 . 0 0 "[ . 1 . 2]" 1
1044 1 56 ASN HB3 1 64 GLU HB2 . . 4.050 3.287 3.186 3.418 . 0 0 "[ . 1 . 2]" 1
1045 1 55 ILE HB 1 64 GLU HB2 . . 4.600 4.511 4.433 4.574 . 0 0 "[ . 1 . 2]" 1
1046 1 55 ILE MD 1 64 GLU HB2 . . 4.760 4.687 4.630 4.757 . 0 0 "[ . 1 . 2]" 1
1047 1 55 ILE MG 1 64 GLU HB2 . . 5.410 5.158 5.063 5.233 . 0 0 "[ . 1 . 2]" 1
1048 1 64 GLU HG3 1 74 GLY H . . 3.870 3.568 3.469 3.757 . 0 0 "[ . 1 . 2]" 1
1049 1 64 GLU HG3 1 75 TYR HA . . 4.690 4.051 3.965 4.193 . 0 0 "[ . 1 . 2]" 1
1050 1 64 GLU HA 1 64 GLU HG3 . . 3.660 2.437 2.369 2.567 . 0 0 "[ . 1 . 2]" 1
1051 1 65 ALA H 1 65 ALA MB . . 3.100 2.552 2.465 2.646 . 0 0 "[ . 1 . 2]" 1
1052 1 65 ALA MB 1 66 ARG H . . 3.140 2.562 2.369 2.720 . 0 0 "[ . 1 . 2]" 1
1053 1 55 ILE H 1 65 ALA MB . . 3.880 3.124 3.008 3.244 . 0 0 "[ . 1 . 2]" 1
1054 1 52 PHE QD 1 65 ALA MB . . 3.670 3.575 3.451 3.675 0.005 12 0 "[ . 1 . 2]" 1
1055 1 65 ALA MB 1 75 TYR HA . . 5.000 4.805 4.542 4.946 . 0 0 "[ . 1 . 2]" 1
1056 1 52 PHE HA 1 65 ALA MB . . 4.120 3.931 3.827 4.048 . 0 0 "[ . 1 . 2]" 1
1057 1 64 GLU HA 1 65 ALA MB . . 4.110 3.967 3.913 4.050 . 0 0 "[ . 1 . 2]" 1
1058 1 54 ILE HA 1 65 ALA MB . . 3.520 2.159 1.982 2.284 . 0 0 "[ . 1 . 2]" 1
1059 1 52 PHE HB3 1 65 ALA MB . . 3.200 2.088 1.981 2.254 . 0 0 "[ . 1 . 2]" 1
1060 1 30 PHE HB2 1 65 ALA MB . . 4.730 4.468 4.346 4.559 . 0 0 "[ . 1 . 2]" 1
1061 1 52 PHE HB2 1 65 ALA MB . . 3.580 2.750 2.571 2.940 . 0 0 "[ . 1 . 2]" 1
1062 1 54 ILE MD 1 65 ALA MB . . 2.850 2.148 1.923 2.271 . 0 0 "[ . 1 . 2]" 1
1063 1 44 LEU MD2 1 66 ARG HA . . 4.460 4.440 4.376 4.471 0.011 19 0 "[ . 1 . 2]" 1
1064 1 66 ARG HB2 1 67 SER H . . 4.720 4.416 4.370 4.456 . 0 0 "[ . 1 . 2]" 1
1065 1 66 ARG HB2 1 73 SER HA . . 5.000 3.856 3.666 4.033 . 0 0 "[ . 1 . 2]" 1
1066 1 53 GLN HB2 1 66 ARG HB3 . . 4.240 3.008 2.941 3.091 . 0 0 "[ . 1 . 2]" 1
1067 1 53 GLN HB2 1 66 ARG HB2 . . 4.730 4.639 4.563 4.729 . 0 0 "[ . 1 . 2]" 1
1068 1 55 ILE MD 1 66 ARG HB3 . . 4.210 2.795 2.697 2.942 . 0 0 "[ . 1 . 2]" 1
1069 1 66 ARG HA 1 66 ARG HG2 . . 4.040 2.940 2.762 3.116 . 0 0 "[ . 1 . 2]" 1
1070 1 66 ARG HA 1 66 ARG HD2 . . 5.470 4.665 4.510 4.962 . 0 0 "[ . 1 . 2]" 1
1071 1 66 ARG HA 1 66 ARG HD3 . . 5.470 4.732 4.430 4.974 . 0 0 "[ . 1 . 2]" 1
1072 1 52 PHE QD 1 67 SER HA . . 4.190 2.005 1.992 2.066 . 0 0 "[ . 1 . 2]" 1
1073 1 52 PHE QE 1 67 SER HA . . 4.780 3.583 3.459 3.718 . 0 0 "[ . 1 . 2]" 1
1074 1 67 SER H 1 67 SER HB2 . . 3.730 2.845 2.324 3.587 . 0 0 "[ . 1 . 2]" 1
1075 1 52 PHE QE 1 67 SER HB3 . . 4.800 2.967 1.998 3.885 . 0 0 "[ . 1 . 2]" 1
1076 1 52 PHE QE 1 67 SER HB2 . . 4.800 3.166 1.997 3.989 . 0 0 "[ . 1 . 2]" 1
1077 1 52 PHE QD 1 67 SER HB3 . . 5.050 3.110 2.209 3.650 . 0 0 "[ . 1 . 2]" 1
1078 1 52 PHE QD 1 67 SER HB2 . . 5.050 3.186 1.998 4.029 . 0 0 "[ . 1 . 2]" 1
1079 1 67 SER HB3 1 70 THR MG . . 5.330 4.226 3.721 4.895 . 0 0 "[ . 1 . 2]" 1
1080 1 67 SER HB2 1 70 THR MG . . 5.330 4.386 3.961 4.963 . 0 0 "[ . 1 . 2]" 1
1081 1 44 LEU MD1 1 67 SER HB2 . . 4.410 4.068 3.079 4.426 0.016 20 0 "[ . 1 . 2]" 1
1082 1 44 LEU MD2 1 67 SER HB2 . . 4.540 3.779 2.776 4.292 . 0 0 "[ . 1 . 2]" 1
1083 1 68 ILE HA 1 68 ILE HG12 . . 3.530 2.802 2.699 2.852 . 0 0 "[ . 1 . 2]" 1
1084 1 68 ILE HA 1 68 ILE HG13 . . 3.690 3.127 3.044 3.211 . 0 0 "[ . 1 . 2]" 1
1085 1 67 SER HA 1 68 ILE HA . . 4.730 4.362 4.357 4.367 . 0 0 "[ . 1 . 2]" 1
1086 1 68 ILE H 1 68 ILE HB . . 3.390 2.733 2.636 2.797 . 0 0 "[ . 1 . 2]" 1
1087 1 67 SER HA 1 68 ILE HB . . 4.980 4.891 4.796 4.958 . 0 0 "[ . 1 . 2]" 1
1088 1 53 GLN H 1 68 ILE HG12 . . 4.600 3.416 3.196 3.587 . 0 0 "[ . 1 . 2]" 1
1089 1 52 PHE HA 1 68 ILE HG12 . . 4.440 3.954 3.741 4.108 . 0 0 "[ . 1 . 2]" 1
1090 1 67 SER HA 1 68 ILE HG12 . . 4.900 4.624 4.451 4.801 . 0 0 "[ . 1 . 2]" 1
1091 1 53 GLN HG3 1 68 ILE HG12 . . 4.890 2.485 2.126 2.809 . 0 0 "[ . 1 . 2]" 1
1092 1 53 GLN HB2 1 68 ILE HG12 . . 5.090 3.504 3.113 3.696 . 0 0 "[ . 1 . 2]" 1
1093 1 67 SER HA 1 68 ILE HG13 . . 4.710 3.301 3.227 3.407 . 0 0 "[ . 1 . 2]" 1
1094 1 68 ILE H 1 68 ILE HG13 . . 3.650 2.022 1.934 2.194 . 0 0 "[ . 1 . 2]" 1
1095 1 68 ILE MG 1 69 ALA H . . 4.080 3.882 3.326 4.076 . 0 0 "[ . 1 . 2]" 1
1096 1 53 GLN H 1 68 ILE MG . . 5.320 5.135 4.973 5.281 . 0 0 "[ . 1 . 2]" 1
1097 1 52 PHE HA 1 68 ILE MG . . 5.300 5.263 5.132 5.316 0.016 15 0 "[ . 1 . 2]" 1
1098 1 67 SER HA 1 68 ILE MG . . 5.500 5.390 5.353 5.433 . 0 0 "[ . 1 . 2]" 1
1099 1 68 ILE HA 1 68 ILE MG . . 2.900 2.261 2.175 2.335 . 0 0 "[ . 1 . 2]" 1
1100 1 68 ILE HG13 1 68 ILE MG . . 3.330 3.179 3.171 3.192 . 0 0 "[ . 1 . 2]" 1
1101 1 68 ILE HG12 1 68 ILE MG . . 3.070 2.183 2.146 2.240 . 0 0 "[ . 1 . 2]" 1
1102 1 67 SER HA 1 68 ILE MD . . 4.990 4.671 4.582 4.738 . 0 0 "[ . 1 . 2]" 1
1103 1 53 GLN HA 1 68 ILE MD . . 4.310 3.679 3.373 3.885 . 0 0 "[ . 1 . 2]" 1
1104 1 29 ILE HA 1 68 ILE MD . . 4.560 4.347 4.045 4.560 . 0 0 "[ . 1 . 2]" 1
1105 1 51 ARG HD2 1 68 ILE MD . . 3.820 3.274 2.966 3.560 . 0 0 "[ . 1 . 2]" 1
1106 1 51 ARG HD3 1 68 ILE MD . . 4.490 4.009 3.685 4.491 0.001 10 0 "[ . 1 . 2]" 1
1107 1 52 PHE HB3 1 68 ILE MD . . 5.500 5.319 5.142 5.465 . 0 0 "[ . 1 . 2]" 1
1108 1 53 GLN HG3 1 68 ILE MD . . 3.440 2.063 1.934 2.247 . 0 0 "[ . 1 . 2]" 1
1109 1 53 GLN HG2 1 68 ILE MD . . 3.790 3.364 3.129 3.676 . 0 0 "[ . 1 . 2]" 1
1110 1 51 ARG HA 1 68 ILE MD . . 4.960 4.502 4.235 4.740 . 0 0 "[ . 1 . 2]" 1
1111 1 52 PHE HA 1 68 ILE MD . . 3.990 3.387 3.186 3.571 . 0 0 "[ . 1 . 2]" 1
1112 1 68 ILE MD 1 69 ALA H . . 4.650 4.425 3.972 4.615 . 0 0 "[ . 1 . 2]" 1
1113 1 68 ILE H 1 68 ILE MD . . 3.770 3.484 3.376 3.594 . 0 0 "[ . 1 . 2]" 1
1114 1 53 GLN H 1 68 ILE MD . . 3.890 3.522 3.255 3.752 . 0 0 "[ . 1 . 2]" 1
1115 1 52 PHE H 1 68 ILE MD . . 4.270 3.460 3.277 3.666 . 0 0 "[ . 1 . 2]" 1
1116 1 68 ILE MG 1 69 ALA HA . . 4.260 4.055 3.683 4.231 . 0 0 "[ . 1 . 2]" 1
1117 1 68 ILE H 1 69 ALA MB . . 4.280 3.907 3.806 4.025 . 0 0 "[ . 1 . 2]" 1
1118 1 69 ALA H 1 69 ALA MB . . 2.750 2.162 2.049 2.285 . 0 0 "[ . 1 . 2]" 1
1119 1 69 ALA MB 1 70 THR H . . 3.110 2.234 2.043 2.397 . 0 0 "[ . 1 . 2]" 1
1120 1 51 ARG H 1 69 ALA MB . . 4.420 4.013 3.695 4.396 . 0 0 "[ . 1 . 2]" 1
1121 1 69 ALA MB 1 70 THR HA . . 4.050 3.787 3.698 3.946 . 0 0 "[ . 1 . 2]" 1
1122 1 50 GLU HA 1 69 ALA MB . . 4.850 4.509 4.130 4.826 . 0 0 "[ . 1 . 2]" 1
1123 1 68 ILE HA 1 69 ALA MB . . 5.160 4.996 4.962 5.041 . 0 0 "[ . 1 . 2]" 1
1124 1 50 GLU HG2 1 69 ALA MB . . 3.830 3.559 3.058 3.833 0.003 10 0 "[ . 1 . 2]" 1
1125 1 50 GLU HG3 1 69 ALA MB . . 3.830 3.262 2.811 3.617 . 0 0 "[ . 1 . 2]" 1
1126 1 68 ILE MG 1 69 ALA MB . . 4.830 4.555 4.267 4.681 . 0 0 "[ . 1 . 2]" 1
1127 1 70 THR HB 1 72 LYS H . . 4.830 3.642 3.396 4.073 . 0 0 "[ . 1 . 2]" 1
1128 1 70 THR HA 1 70 THR MG . . 2.790 2.404 2.320 2.484 . 0 0 "[ . 1 . 2]" 1
1129 1 70 THR H 1 70 THR MG . . 2.990 2.299 2.075 2.569 . 0 0 "[ . 1 . 2]" 1
1130 1 69 ALA H 1 70 THR MG . . 4.650 4.532 4.277 4.652 0.002 19 0 "[ . 1 . 2]" 1
1131 1 70 THR MG 1 71 GLY H . . 3.940 3.820 3.633 3.973 0.033 15 0 "[ . 1 . 2]" 1
1132 1 69 ALA MB 1 70 THR MG . . 2.810 2.671 2.438 2.811 0.001 6 0 "[ . 1 . 2]" 1
1133 1 66 ARG HG2 1 71 GLY HA2 . . 4.380 3.361 3.251 3.584 . 0 0 "[ . 1 . 2]" 1
1134 1 72 LYS H 1 72 LYS HB2 . . 3.750 2.443 2.303 2.591 . 0 0 "[ . 1 . 2]" 1
1135 1 44 LEU MD1 1 72 LYS HB2 . . 4.800 3.883 3.497 4.082 . 0 0 "[ . 1 . 2]" 1
1136 1 44 LEU MD2 1 72 LYS HB2 . . 3.960 2.236 1.951 2.431 . 0 0 "[ . 1 . 2]" 1
1137 1 72 LYS HG3 1 73 SER H . . 4.900 4.790 4.691 4.854 . 0 0 "[ . 1 . 2]" 1
1138 1 72 LYS HG2 1 73 SER H . . 4.900 3.988 3.733 4.242 . 0 0 "[ . 1 . 2]" 1
1139 1 72 LYS H 1 72 LYS HG2 . . 3.600 3.388 2.992 3.616 0.016 4 0 "[ . 1 . 2]" 1
1140 1 72 LYS HA 1 72 LYS HG3 . . 3.610 3.221 3.032 3.402 . 0 0 "[ . 1 . 2]" 1
1141 1 72 LYS HA 1 72 LYS HG2 . . 3.610 2.447 2.324 2.529 . 0 0 "[ . 1 . 2]" 1
1142 1 44 LEU MD2 1 72 LYS HG2 . . 4.990 4.368 3.832 4.593 . 0 0 "[ . 1 . 2]" 1
1143 1 44 LEU MD2 1 72 LYS HG3 . . 4.990 4.122 3.808 4.328 . 0 0 "[ . 1 . 2]" 1
1144 1 29 ILE MG 1 51 ARG HG2 . . 4.190 3.573 3.313 3.953 . 0 0 "[ . 1 . 2]" 1
1145 1 44 LEU MD2 1 72 LYS HD2 . . 4.350 2.941 2.528 3.332 . 0 0 "[ . 1 . 2]" 1
1146 1 44 LEU MD2 1 72 LYS HD3 . . 4.350 4.019 2.693 4.368 0.018 20 0 "[ . 1 . 2]" 1
1147 1 70 THR HB 1 72 LYS HE2 . . 4.570 3.274 2.738 4.587 0.017 15 0 "[ . 1 . 2]" 1
1148 1 70 THR HB 1 72 LYS HE3 . . 4.570 4.334 2.847 4.580 0.010 16 0 "[ . 1 . 2]" 1
1149 1 72 LYS HB3 1 72 LYS HE2 . . 5.380 4.326 3.538 4.697 . 0 0 "[ . 1 . 2]" 1
1150 1 72 LYS HB3 1 72 LYS HE3 . . 5.380 4.252 3.448 4.682 . 0 0 "[ . 1 . 2]" 1
1151 1 47 LYS HE2 1 47 LYS HG2 . . 3.930 3.030 2.239 3.787 . 0 0 "[ . 1 . 2]" 1
1152 1 70 THR MG 1 72 LYS HE2 . . 5.500 2.925 2.406 4.629 . 0 0 "[ . 1 . 2]" 1
1153 1 70 THR MG 1 72 LYS HE3 . . 5.500 3.720 2.491 5.006 . 0 0 "[ . 1 . 2]" 1
1154 1 44 LEU MD2 1 72 LYS HE2 . . 4.800 4.570 3.599 4.805 0.005 10 0 "[ . 1 . 2]" 1
1155 1 44 LEU MD2 1 72 LYS HE3 . . 4.800 4.258 3.004 4.847 0.047 15 0 "[ . 1 . 2]" 1
1156 1 44 LEU HB3 1 73 SER HA . . 5.500 5.370 5.233 5.508 0.008 5 0 "[ . 1 . 2]" 1
1157 1 66 ARG HB3 1 73 SER HA . . 5.500 5.065 4.925 5.200 . 0 0 "[ . 1 . 2]" 1
1158 1 44 LEU HG 1 73 SER HA . . 4.580 2.583 2.427 2.779 . 0 0 "[ . 1 . 2]" 1
1159 1 66 ARG HG3 1 73 SER HA . . 4.450 3.799 3.601 3.941 . 0 0 "[ . 1 . 2]" 1
1160 1 66 ARG HG3 1 73 SER HB3 . . 3.950 2.378 2.173 2.598 . 0 0 "[ . 1 . 2]" 1
1161 1 66 ARG HG3 1 73 SER HB2 . . 4.280 3.983 3.774 4.194 . 0 0 "[ . 1 . 2]" 1
1162 1 44 LEU HG 1 73 SER HB2 . . 5.030 4.551 4.477 4.623 . 0 0 "[ . 1 . 2]" 1
1163 1 66 ARG HB2 1 73 SER HB2 . . 5.200 3.770 3.555 3.899 . 0 0 "[ . 1 . 2]" 1
1164 1 64 GLU HG2 1 73 SER HB2 . . 5.250 4.756 4.507 4.992 . 0 0 "[ . 1 . 2]" 1
1165 1 64 GLU HG3 1 73 SER HB2 . . 5.500 4.517 4.276 4.741 . 0 0 "[ . 1 . 2]" 1
1166 1 66 ARG HB2 1 73 SER HB3 . . 4.180 3.044 2.648 3.207 . 0 0 "[ . 1 . 2]" 1
1167 1 66 ARG HB3 1 73 SER HB3 . . 4.710 4.535 4.198 4.670 . 0 0 "[ . 1 . 2]" 1
1168 1 66 ARG HD2 1 73 SER HB3 . . 5.370 4.692 4.413 5.137 . 0 0 "[ . 1 . 2]" 1
1169 1 66 ARG HD3 1 73 SER HB3 . . 5.370 4.810 3.818 5.372 0.002 8 0 "[ . 1 . 2]" 1
1170 1 66 ARG HA 1 73 SER HB2 . . 3.980 3.825 3.750 3.879 . 0 0 "[ . 1 . 2]" 1
1171 1 66 ARG HA 1 73 SER HB3 . . 3.770 3.036 2.823 3.146 . 0 0 "[ . 1 . 2]" 1
1172 1 73 SER H 1 73 SER HB3 . . 3.640 3.503 3.460 3.586 . 0 0 "[ . 1 . 2]" 1
1173 1 73 SER HB3 1 74 GLY H . . 3.990 3.983 3.935 4.037 0.047 15 0 "[ . 1 . 2]" 1
1174 1 67 SER H 1 73 SER HB3 . . 4.600 4.528 4.400 4.593 . 0 0 "[ . 1 . 2]" 1
1175 1 67 SER H 1 73 SER HB2 . . 5.500 5.500 5.442 5.539 0.039 15 0 "[ . 1 . 2]" 1
1176 1 43 ASP HA 1 74 GLY HA3 . . 4.840 3.789 3.610 3.937 . 0 0 "[ . 1 . 2]" 1
1177 1 74 GLY HA3 1 75 TYR HA . . 5.500 4.376 4.373 4.381 . 0 0 "[ . 1 . 2]" 1
1178 1 74 GLY HA2 1 75 TYR HA . . 5.370 4.527 4.497 4.544 . 0 0 "[ . 1 . 2]" 1
1179 1 64 GLU HG3 1 74 GLY HA2 . . 4.770 3.899 3.801 4.051 . 0 0 "[ . 1 . 2]" 1
1180 1 44 LEU HB3 1 74 GLY HA3 . . 4.790 3.915 3.788 4.020 . 0 0 "[ . 1 . 2]" 1
1181 1 44 LEU HG 1 74 GLY HA2 . . 4.430 3.926 3.768 4.007 . 0 0 "[ . 1 . 2]" 1
1182 1 44 LEU HB2 1 74 GLY HA2 . . 4.920 3.694 3.559 3.802 . 0 0 "[ . 1 . 2]" 1
1183 1 44 LEU MD1 1 74 GLY HA2 . . 5.200 4.818 4.458 4.986 . 0 0 "[ . 1 . 2]" 1
1184 1 44 LEU MD2 1 74 GLY HA2 . . 5.170 4.975 4.905 5.032 . 0 0 "[ . 1 . 2]" 1
1185 1 75 TYR HA 1 76 ILE HG13 . . 5.210 4.841 4.679 5.094 . 0 0 "[ . 1 . 2]" 1
1186 1 44 LEU HB3 1 75 TYR HA . . 5.310 4.582 4.469 4.694 . 0 0 "[ . 1 . 2]" 1
1187 1 62 TRP HE3 1 75 TYR HA . . 4.840 4.387 4.105 4.538 . 0 0 "[ . 1 . 2]" 1
1188 1 64 GLU H 1 75 TYR HA . . 5.400 4.513 4.418 4.586 . 0 0 "[ . 1 . 2]" 1
1189 1 74 GLY H 1 75 TYR HA . . 5.500 4.554 4.521 4.596 . 0 0 "[ . 1 . 2]" 1
1190 1 62 TRP HE3 1 75 TYR HB2 . . 4.060 3.306 3.106 3.434 . 0 0 "[ . 1 . 2]" 1
1191 1 76 ILE HB 1 77 PRO HD3 . . 4.090 3.798 3.740 3.859 . 0 0 "[ . 1 . 2]" 1
1192 1 46 PHE HZ 1 76 ILE HB . . 4.390 3.580 3.377 3.747 . 0 0 "[ . 1 . 2]" 1
1193 1 46 PHE QD 1 76 ILE HB . . 4.740 3.811 3.602 4.184 . 0 0 "[ . 1 . 2]" 1
1194 1 46 PHE QE 1 76 ILE HB . . 4.020 3.003 2.751 3.294 . 0 0 "[ . 1 . 2]" 1
1195 1 75 TYR HA 1 76 ILE HG12 . . 5.210 3.819 3.739 3.908 . 0 0 "[ . 1 . 2]" 1
1196 1 63 TRP HB2 1 76 ILE HG12 . . 4.780 3.757 3.482 3.954 . 0 0 "[ . 1 . 2]" 1
1197 1 63 TRP HB3 1 76 ILE HG12 . . 4.780 4.677 4.381 4.785 0.005 16 0 "[ . 1 . 2]" 1
1198 1 54 ILE MD 1 76 ILE HG12 . . 4.810 3.959 3.835 4.095 . 0 0 "[ . 1 . 2]" 1
1199 1 76 ILE HG12 1 81 VAL MG1 . . 5.340 4.431 4.218 4.615 . 0 0 "[ . 1 . 2]" 1
1200 1 54 ILE MD 1 76 ILE HG13 . . 4.810 3.904 3.730 4.074 . 0 0 "[ . 1 . 2]" 1
1201 1 76 ILE HG13 1 81 VAL MG1 . . 5.340 3.704 3.359 4.022 . 0 0 "[ . 1 . 2]" 1
1202 1 76 ILE HG13 1 76 ILE MG . . 3.710 3.191 3.180 3.201 . 0 0 "[ . 1 . 2]" 1
1203 1 63 TRP HB3 1 76 ILE HG13 . . 4.780 4.397 4.194 4.607 . 0 0 "[ . 1 . 2]" 1
1204 1 63 TRP HB2 1 76 ILE HG13 . . 4.780 2.956 2.825 3.091 . 0 0 "[ . 1 . 2]" 1
1205 1 31 VAL H 1 81 VAL MG2 . . 5.050 4.911 4.781 5.045 . 0 0 "[ . 1 . 2]" 1
1206 1 81 VAL MG2 1 82 VAL H . . 3.810 3.740 3.562 3.842 0.032 16 0 "[ . 1 . 2]" 1
1207 1 30 PHE QE 1 81 VAL MG2 . . 4.190 3.529 3.387 3.654 . 0 0 "[ . 1 . 2]" 1
1208 1 81 VAL H 1 81 VAL MG2 . . 2.870 2.000 1.906 2.062 . 0 0 "[ . 1 . 2]" 1
1209 1 30 PHE QD 1 81 VAL MG2 . . 3.170 2.411 2.223 2.665 . 0 0 "[ . 1 . 2]" 1
1210 1 63 TRP HE3 1 81 VAL MG2 . . 3.520 3.156 2.964 3.283 . 0 0 "[ . 1 . 2]" 1
1211 1 63 TRP HZ3 1 81 VAL MG2 . . 3.530 3.412 3.241 3.536 0.006 12 0 "[ . 1 . 2]" 1
1212 1 81 VAL HA 1 81 VAL MG2 . . 3.640 3.202 3.201 3.204 . 0 0 "[ . 1 . 2]" 1
1213 1 81 VAL MG2 1 82 VAL HA . . 4.310 3.744 3.585 3.831 . 0 0 "[ . 1 . 2]" 1
1214 1 32 ALA HA 1 81 VAL MG2 . . 4.660 4.535 4.398 4.663 0.003 12 0 "[ . 1 . 2]" 1
1215 1 30 PHE HB3 1 81 VAL MG2 . . 3.370 3.160 2.997 3.321 . 0 0 "[ . 1 . 2]" 1
1216 1 78 SER HA 1 81 VAL MG2 . . 3.480 2.096 1.811 2.237 . 0 0 "[ . 1 . 2]" 1
1217 1 76 ILE H 1 76 ILE MD . . 3.870 3.803 3.697 3.881 0.011 16 0 "[ . 1 . 2]" 1
1218 1 46 PHE QE 1 76 ILE MD . . 4.540 4.332 4.160 4.496 . 0 0 "[ . 1 . 2]" 1
1219 1 46 PHE QD 1 76 ILE MD . . 4.600 4.109 3.894 4.325 . 0 0 "[ . 1 . 2]" 1
1220 1 30 PHE QD 1 76 ILE MD . . 4.820 4.368 4.280 4.515 . 0 0 "[ . 1 . 2]" 1
1221 1 52 PHE QD 1 76 ILE MD . . 3.360 3.365 3.334 3.382 0.022 19 0 "[ . 1 . 2]" 1
1222 1 75 TYR HA 1 76 ILE MD . . 5.410 5.205 5.119 5.302 . 0 0 "[ . 1 . 2]" 1
1223 1 76 ILE HA 1 76 ILE MD . . 4.370 4.171 4.158 4.180 . 0 0 "[ . 1 . 2]" 1
1224 1 52 PHE HB3 1 76 ILE MD . . 3.640 3.326 3.112 3.571 . 0 0 "[ . 1 . 2]" 1
1225 1 30 PHE HB2 1 76 ILE MD . . 4.400 3.902 3.789 4.022 . 0 0 "[ . 1 . 2]" 1
1226 1 30 PHE HB3 1 76 ILE MD . . 4.900 3.790 3.663 3.965 . 0 0 "[ . 1 . 2]" 1
1227 1 76 ILE MD 1 78 SER HA . . 4.640 4.533 4.242 4.646 0.006 14 0 "[ . 1 . 2]" 1
1228 1 52 PHE HB2 1 76 ILE MD . . 4.400 2.768 2.634 2.925 . 0 0 "[ . 1 . 2]" 1
1229 1 32 ALA MB 1 76 ILE MD . . 4.460 4.229 4.054 4.411 . 0 0 "[ . 1 . 2]" 1
1230 1 76 ILE HB 1 76 ILE MD . . 3.230 2.324 2.276 2.441 . 0 0 "[ . 1 . 2]" 1
1231 1 65 ALA MB 1 76 ILE MD . . 2.840 2.334 2.098 2.507 . 0 0 "[ . 1 . 2]" 1
1232 1 76 ILE MD 1 81 VAL MG2 . . 3.080 1.974 1.901 2.234 . 0 0 "[ . 1 . 2]" 1
1233 1 76 ILE MD 1 81 VAL MG1 . . 2.680 1.911 1.788 1.949 . 0 0 "[ . 1 . 2]" 1
1234 1 62 TRP HB3 1 77 PRO HA . . 4.830 4.153 3.998 4.440 . 0 0 "[ . 1 . 2]" 1
1235 1 62 TRP HA 1 77 PRO HA . . 3.840 2.505 2.340 2.730 . 0 0 "[ . 1 . 2]" 1
1236 1 62 TRP HZ3 1 77 PRO HA . . 5.150 4.934 4.800 5.094 . 0 0 "[ . 1 . 2]" 1
1237 1 62 TRP HE3 1 77 PRO HA . . 4.220 3.828 3.750 3.946 . 0 0 "[ . 1 . 2]" 1
1238 1 77 PRO HA 1 79 ASN H . . 4.720 3.429 3.352 3.820 . 0 0 "[ . 1 . 2]" 1
1239 1 77 PRO HB3 1 79 ASN H . . 5.160 3.965 3.882 4.574 . 0 0 "[ . 1 . 2]" 1
1240 1 77 PRO HB2 1 79 ASN H . . 4.820 2.586 2.457 3.345 . 0 0 "[ . 1 . 2]" 1
1241 1 62 TRP HE3 1 77 PRO HB3 . . 4.350 4.146 4.011 4.364 0.014 15 0 "[ . 1 . 2]" 1
1242 1 77 PRO HB2 1 80 TYR QD . . 3.840 3.529 3.330 3.654 . 0 0 "[ . 1 . 2]" 1
1243 1 77 PRO HG2 1 80 TYR HB2 . . 4.600 1.989 1.983 1.997 . 0 0 "[ . 1 . 2]" 1
1244 1 77 PRO HG3 1 80 TYR HB2 . . 4.930 3.554 3.528 3.653 . 0 0 "[ . 1 . 2]" 1
1245 1 77 PRO HG2 1 80 TYR HB3 . . 4.600 3.474 3.376 3.540 . 0 0 "[ . 1 . 2]" 1
1246 1 77 PRO HG3 1 80 TYR HB3 . . 4.930 4.884 4.837 4.935 0.005 5 0 "[ . 1 . 2]" 1
1247 1 76 ILE HA 1 77 PRO HG2 . . 4.690 4.356 4.329 4.377 . 0 0 "[ . 1 . 2]" 1
1248 1 76 ILE HA 1 77 PRO HG3 . . 4.460 4.371 4.357 4.383 . 0 0 "[ . 1 . 2]" 1
1249 1 62 TRP HZ3 1 77 PRO HG2 . . 4.980 4.779 4.690 4.881 . 0 0 "[ . 1 . 2]" 1
1250 1 62 TRP HZ3 1 77 PRO HG3 . . 4.010 3.542 3.391 3.757 . 0 0 "[ . 1 . 2]" 1
1251 1 36 TYR QD 1 77 PRO HG2 . . 5.260 4.713 4.533 4.975 . 0 0 "[ . 1 . 2]" 1
1252 1 36 TYR QD 1 77 PRO HG3 . . 4.430 4.012 3.731 4.295 . 0 0 "[ . 1 . 2]" 1
1253 1 77 PRO HG2 1 81 VAL H . . 4.970 4.229 4.147 4.379 . 0 0 "[ . 1 . 2]" 1
1254 1 77 PRO HG3 1 80 TYR QD . . 4.270 4.241 4.190 4.281 0.011 15 0 "[ . 1 . 2]" 1
1255 1 62 TRP HH2 1 77 PRO HG2 . . 5.500 5.497 5.444 5.516 0.016 15 0 "[ . 1 . 2]" 1
1256 1 62 TRP HH2 1 77 PRO HG3 . . 4.480 3.783 3.732 3.848 . 0 0 "[ . 1 . 2]" 1
1257 1 46 PHE QE 1 77 PRO HG2 . . 4.860 3.643 3.537 3.846 . 0 0 "[ . 1 . 2]" 1
1258 1 46 PHE QE 1 77 PRO HG3 . . 4.690 3.986 3.810 4.349 . 0 0 "[ . 1 . 2]" 1
1259 1 77 PRO HG3 1 80 TYR H . . 5.230 5.000 4.712 5.127 . 0 0 "[ . 1 . 2]" 1
1260 1 46 PHE QE 1 77 PRO HD3 . . 4.200 2.958 2.752 3.381 . 0 0 "[ . 1 . 2]" 1
1261 1 46 PHE QE 1 77 PRO HD2 . . 4.030 2.157 2.009 2.584 . 0 0 "[ . 1 . 2]" 1
1262 1 62 TRP HE3 1 77 PRO HD3 . . 4.500 2.723 2.541 3.052 . 0 0 "[ . 1 . 2]" 1
1263 1 46 PHE QD 1 77 PRO HD2 . . 4.950 4.210 4.068 4.541 . 0 0 "[ . 1 . 2]" 1
1264 1 62 TRP HE3 1 77 PRO HD2 . . 5.280 4.082 3.947 4.328 . 0 0 "[ . 1 . 2]" 1
1265 1 36 TYR QD 1 77 PRO HD2 . . 4.870 4.074 3.858 4.247 . 0 0 "[ . 1 . 2]" 1
1266 1 62 TRP HZ3 1 77 PRO HD2 . . 4.190 3.597 3.542 3.682 . 0 0 "[ . 1 . 2]" 1
1267 1 46 PHE HZ 1 77 PRO HD2 . . 3.910 2.012 1.991 2.101 . 0 0 "[ . 1 . 2]" 1
1268 1 62 TRP HZ3 1 77 PRO HD3 . . 3.930 2.004 1.981 2.078 . 0 0 "[ . 1 . 2]" 1
1269 1 46 PHE HZ 1 77 PRO HD3 . . 4.110 3.281 3.164 3.406 . 0 0 "[ . 1 . 2]" 1
1270 1 76 ILE HA 1 77 PRO HD3 . . 3.430 2.254 2.252 2.256 . 0 0 "[ . 1 . 2]" 1
1271 1 76 ILE HA 1 77 PRO HD2 . . 3.580 2.206 2.171 2.233 . 0 0 "[ . 1 . 2]" 1
1272 1 76 ILE HB 1 77 PRO HD2 . . 3.800 2.410 2.338 2.483 . 0 0 "[ . 1 . 2]" 1
1273 1 76 ILE MD 1 77 PRO HD3 . . 5.500 5.531 5.500 5.566 0.066 9 0 "[ . 1 . 2]" 1
1274 1 76 ILE MD 1 77 PRO HD2 . . 4.660 4.363 4.325 4.405 . 0 0 "[ . 1 . 2]" 1
1275 1 63 TRP HE3 1 78 SER HA . . 4.990 3.575 3.410 3.906 . 0 0 "[ . 1 . 2]" 1
1276 1 78 SER HA 1 81 VAL H . . 4.570 3.107 2.820 3.206 . 0 0 "[ . 1 . 2]" 1
1277 1 79 ASN HA 1 80 TYR QD . . 5.330 4.247 4.190 4.457 . 0 0 "[ . 1 . 2]" 1
1278 1 46 PHE QE 1 80 TYR HB3 . . 4.960 2.636 2.501 2.717 . 0 0 "[ . 1 . 2]" 1
1279 1 46 PHE QE 1 80 TYR HB2 . . 4.960 3.460 3.357 3.677 . 0 0 "[ . 1 . 2]" 1
1280 1 80 TYR HB2 1 81 VAL MG2 . . 5.500 3.996 3.877 4.104 . 0 0 "[ . 1 . 2]" 1
1281 1 80 TYR HB3 1 81 VAL MG2 . . 5.500 4.568 4.475 4.673 . 0 0 "[ . 1 . 2]" 1
1282 1 81 VAL HA 1 82 VAL MG2 . . 4.360 4.169 4.143 4.186 . 0 0 "[ . 1 . 2]" 1
1283 1 31 VAL MG1 1 81 VAL HA . . 4.850 4.613 4.478 4.728 . 0 0 "[ . 1 . 2]" 1
1284 1 33 LEU HB2 1 81 VAL HA . . 5.270 4.909 4.804 5.112 . 0 0 "[ . 1 . 2]" 1
1285 1 30 PHE HB3 1 81 VAL HA . . 4.700 4.674 4.604 4.712 0.012 2 0 "[ . 1 . 2]" 1
1286 1 32 ALA HA 1 81 VAL HA . . 3.660 2.393 2.260 2.497 . 0 0 "[ . 1 . 2]" 1
1287 1 30 PHE QD 1 81 VAL HA . . 5.000 4.367 4.276 4.448 . 0 0 "[ . 1 . 2]" 1
1288 1 33 LEU H 1 81 VAL HA . . 3.860 2.862 2.735 3.029 . 0 0 "[ . 1 . 2]" 1
1289 1 31 VAL H 1 81 VAL HA . . 4.540 4.514 4.445 4.557 0.017 5 0 "[ . 1 . 2]" 1
1290 1 30 PHE QD 1 81 VAL HB . . 3.950 2.849 2.731 2.967 . 0 0 "[ . 1 . 2]" 1
1291 1 30 PHE HB3 1 81 VAL HB . . 3.550 2.498 2.426 2.545 . 0 0 "[ . 1 . 2]" 1
1292 1 31 VAL H 1 81 VAL MG1 . . 4.790 4.707 4.570 4.777 . 0 0 "[ . 1 . 2]" 1
1293 1 33 LEU H 1 81 VAL MG1 . . 3.810 3.675 3.620 3.811 0.001 6 0 "[ . 1 . 2]" 1
1294 1 32 ALA H 1 81 VAL MG1 . . 3.920 3.736 3.525 3.929 0.009 16 0 "[ . 1 . 2]" 1
1295 1 46 PHE QE 1 81 VAL MG1 . . 4.370 3.079 2.821 3.224 . 0 0 "[ . 1 . 2]" 1
1296 1 81 VAL H 1 81 VAL MG1 . . 3.430 2.625 2.532 2.788 . 0 0 "[ . 1 . 2]" 1
1297 1 30 PHE QD 1 81 VAL MG1 . . 4.420 4.314 4.250 4.394 . 0 0 "[ . 1 . 2]" 1
1298 1 52 PHE QE 1 81 VAL MG1 . . 3.830 3.736 3.537 3.833 0.003 7 0 "[ . 1 . 2]" 1
1299 1 46 PHE HZ 1 81 VAL MG1 . . 4.190 3.787 3.619 4.060 . 0 0 "[ . 1 . 2]" 1
1300 1 81 VAL HA 1 81 VAL MG1 . . 3.060 2.356 2.213 2.429 . 0 0 "[ . 1 . 2]" 1
1301 1 32 ALA HA 1 81 VAL MG1 . . 3.010 2.098 1.965 2.357 . 0 0 "[ . 1 . 2]" 1
1302 1 80 TYR HB3 1 81 VAL MG1 . . 4.350 3.147 3.035 3.315 . 0 0 "[ . 1 . 2]" 1
1303 1 80 TYR HB2 1 81 VAL MG1 . . 4.350 3.362 3.266 3.569 . 0 0 "[ . 1 . 2]" 1
1304 1 30 PHE HB3 1 81 VAL MG1 . . 3.860 3.802 3.725 3.865 0.005 1 0 "[ . 1 . 2]" 1
1305 1 32 ALA MB 1 81 VAL MG1 . . 3.260 2.193 1.997 2.403 . 0 0 "[ . 1 . 2]" 1
1306 1 76 ILE HB 1 81 VAL MG1 . . 4.280 2.821 2.642 2.970 . 0 0 "[ . 1 . 2]" 1
1307 1 31 VAL H 1 82 VAL MG2 . . 3.850 3.388 3.333 3.452 . 0 0 "[ . 1 . 2]" 1
1308 1 33 LEU H 1 82 VAL MG2 . . 5.130 4.659 4.538 4.845 . 0 0 "[ . 1 . 2]" 1
1309 1 82 VAL H 1 82 VAL MG2 . . 3.040 2.490 2.436 2.585 . 0 0 "[ . 1 . 2]" 1
1310 1 30 PHE QD 1 82 VAL MG2 . . 4.800 4.527 4.453 4.591 . 0 0 "[ . 1 . 2]" 1
1311 1 82 VAL HA 1 82 VAL MG2 . . 3.600 3.161 3.157 3.164 . 0 0 "[ . 1 . 2]" 1
1312 1 82 VAL MG2 1 87 ILE HA . . 4.190 2.015 1.943 2.074 . 0 0 "[ . 1 . 2]" 1
1313 1 82 VAL MG2 1 84 ALA HA . . 3.940 3.764 3.735 3.789 . 0 0 "[ . 1 . 2]" 1
1314 1 82 VAL MG2 1 83 PRO HD3 . . 4.170 4.115 4.096 4.134 . 0 0 "[ . 1 . 2]" 1
1315 1 82 VAL MG2 1 83 PRO HD2 . . 3.830 3.059 3.042 3.082 . 0 0 "[ . 1 . 2]" 1
1316 1 82 VAL MG2 1 88 GLN HB3 . . 4.990 4.795 4.721 4.896 . 0 0 "[ . 1 . 2]" 1
1317 1 31 VAL HB 1 82 VAL MG2 . . 3.700 3.384 3.316 3.450 . 0 0 "[ . 1 . 2]" 1
1318 1 33 LEU HG 1 82 VAL MG2 . . 3.520 3.286 3.147 3.497 . 0 0 "[ . 1 . 2]" 1
1319 1 76 ILE H 1 76 ILE MG . . 3.560 2.939 2.788 3.041 . 0 0 "[ . 1 . 2]" 1
1320 1 44 LEU H 1 76 ILE MG . . 3.860 3.195 3.065 3.320 . 0 0 "[ . 1 . 2]" 1
1321 1 46 PHE QE 1 76 ILE MG . . 3.380 2.213 2.149 2.322 . 0 0 "[ . 1 . 2]" 1
1322 1 46 PHE QD 1 76 ILE MG . . 3.420 2.020 1.878 2.338 . 0 0 "[ . 1 . 2]" 1
1323 1 36 TYR QE 1 76 ILE MG . . 4.700 4.423 4.194 4.628 . 0 0 "[ . 1 . 2]" 1
1324 1 46 PHE HZ 1 76 ILE MG . . 4.490 3.918 3.735 4.047 . 0 0 "[ . 1 . 2]" 1
1325 1 52 PHE QD 1 76 ILE MG . . 4.840 4.088 3.928 4.180 . 0 0 "[ . 1 . 2]" 1
1326 1 52 PHE HZ 1 76 ILE MG . . 4.900 4.831 4.734 4.906 0.006 10 0 "[ . 1 . 2]" 1
1327 1 75 TYR HA 1 76 ILE MG . . 4.110 3.906 3.754 4.117 0.007 19 0 "[ . 1 . 2]" 1
1328 1 76 ILE HA 1 76 ILE MG . . 3.200 2.205 2.139 2.290 . 0 0 "[ . 1 . 2]" 1
1329 1 76 ILE MG 1 77 PRO HD3 . . 4.090 3.899 3.812 4.003 . 0 0 "[ . 1 . 2]" 1
1330 1 76 ILE MG 1 77 PRO HD2 . . 3.710 3.177 3.079 3.283 . 0 0 "[ . 1 . 2]" 1
1331 1 32 ALA MB 1 76 ILE MG . . 4.580 4.587 4.566 4.599 0.019 14 0 "[ . 1 . 2]" 1
1332 1 44 LEU HB3 1 76 ILE MG . . 3.510 1.786 1.766 1.824 . 0 0 "[ . 1 . 2]" 1
1333 1 44 LEU HG 1 76 ILE MG . . 3.920 3.924 3.880 3.960 0.040 20 0 "[ . 1 . 2]" 1
1334 1 44 LEU HB2 1 76 ILE MG . . 3.370 2.779 2.708 2.965 . 0 0 "[ . 1 . 2]" 1
1335 1 65 ALA MB 1 76 ILE MG . . 3.480 3.394 3.203 3.487 0.007 5 0 "[ . 1 . 2]" 1
1336 1 76 ILE HG12 1 76 ILE MG . . 3.710 2.242 2.174 2.335 . 0 0 "[ . 1 . 2]" 1
1337 1 76 ILE MD 1 76 ILE MG . . 2.850 2.189 2.065 2.286 . 0 0 "[ . 1 . 2]" 1
1338 1 82 VAL HA 1 83 PRO HB3 . . 5.280 4.844 4.843 4.845 . 0 0 "[ . 1 . 2]" 1
1339 1 82 VAL HB 1 83 PRO HD2 . . 3.410 1.973 1.966 1.984 . 0 0 "[ . 1 . 2]" 1
1340 1 82 VAL HB 1 83 PRO HD3 . . 3.620 3.375 3.367 3.386 . 0 0 "[ . 1 . 2]" 1
1341 1 82 VAL HB 1 83 PRO HG2 . . 4.450 3.938 3.933 3.945 . 0 0 "[ . 1 . 2]" 1
1342 1 82 VAL H 1 82 VAL MG1 . . 3.620 2.582 2.478 2.703 . 0 0 "[ . 1 . 2]" 1
1343 1 81 VAL HA 1 82 VAL MG1 . . 4.310 3.222 3.069 3.333 . 0 0 "[ . 1 . 2]" 1
1344 1 82 VAL HA 1 82 VAL MG1 . . 3.000 2.544 2.513 2.583 . 0 0 "[ . 1 . 2]" 1
1345 1 82 VAL MG1 1 83 PRO HD2 . . 3.720 3.558 3.547 3.571 . 0 0 "[ . 1 . 2]" 1
1346 1 31 VAL HB 1 82 VAL MG1 . . 5.500 5.275 5.186 5.377 . 0 0 "[ . 1 . 2]" 1
1347 1 82 VAL MG1 1 83 PRO HG2 . . 5.500 5.333 5.328 5.338 . 0 0 "[ . 1 . 2]" 1
1348 1 33 LEU HG 1 82 VAL MG1 . . 3.520 2.436 2.155 2.738 . 0 0 "[ . 1 . 2]" 1
1349 1 29 ILE MG 1 83 PRO HA . . 4.620 3.965 3.937 3.997 . 0 0 "[ . 1 . 2]" 1
1350 1 83 PRO HA 1 84 ALA MB . . 4.010 4.008 4.001 4.016 0.006 5 0 "[ . 1 . 2]" 1
1351 1 83 PRO HA 1 84 ALA HA . . 4.600 4.369 4.366 4.374 . 0 0 "[ . 1 . 2]" 1
1352 1 30 PHE QD 1 83 PRO HA . . 4.480 3.366 3.302 3.411 . 0 0 "[ . 1 . 2]" 1
1353 1 30 PHE QE 1 83 PRO HA . . 5.040 3.849 3.780 3.900 . 0 0 "[ . 1 . 2]" 1
1354 1 83 PRO HB2 1 84 ALA H . . 4.090 3.446 3.410 3.488 . 0 0 "[ . 1 . 2]" 1
1355 1 83 PRO HB2 1 85 ASP H . . 4.770 2.282 2.262 2.307 . 0 0 "[ . 1 . 2]" 1
1356 1 83 PRO HB3 1 85 ASP H . . 4.660 3.838 3.829 3.850 . 0 0 "[ . 1 . 2]" 1
1357 1 83 PRO HB3 1 86 SER H . . 4.780 3.973 3.962 3.995 . 0 0 "[ . 1 . 2]" 1
1358 1 30 PHE QE 1 83 PRO HB2 . . 4.990 4.404 4.306 4.513 . 0 0 "[ . 1 . 2]" 1
1359 1 30 PHE HA 1 83 PRO HB2 . . 5.180 4.896 4.858 4.940 . 0 0 "[ . 1 . 2]" 1
1360 1 83 PRO HB2 1 86 SER HB2 . . 4.240 3.233 3.220 3.245 . 0 0 "[ . 1 . 2]" 1
1361 1 29 ILE MG 1 83 PRO HB2 . . 5.500 5.430 5.415 5.453 . 0 0 "[ . 1 . 2]" 1
1362 1 29 ILE MG 1 83 PRO HB3 . . 5.500 5.508 5.500 5.515 0.015 2 0 "[ . 1 . 2]" 1
1363 1 83 PRO HG3 1 86 SER HB2 . . 4.230 2.688 2.671 2.706 . 0 0 "[ . 1 . 2]" 1
1364 1 82 VAL HA 1 83 PRO HG3 . . 4.700 4.461 4.457 4.464 . 0 0 "[ . 1 . 2]" 1
1365 1 30 PHE QE 1 83 PRO HG3 . . 4.580 3.689 3.646 3.729 . 0 0 "[ . 1 . 2]" 1
1366 1 83 PRO HG2 1 86 SER HB2 . . 3.760 1.982 1.977 1.986 . 0 0 "[ . 1 . 2]" 1
1367 1 82 VAL HA 1 83 PRO HG2 . . 4.800 4.498 4.493 4.501 . 0 0 "[ . 1 . 2]" 1
1368 1 30 PHE HZ 1 83 PRO HG2 . . 5.290 4.940 4.871 5.095 . 0 0 "[ . 1 . 2]" 1
1369 1 30 PHE QE 1 83 PRO HG2 . . 4.840 4.698 4.679 4.712 . 0 0 "[ . 1 . 2]" 1
1370 1 28 THR MG 1 83 PRO HG2 . . 5.300 5.044 4.941 5.213 . 0 0 "[ . 1 . 2]" 1
1371 1 82 VAL HA 1 83 PRO HD2 . . 3.490 2.382 2.376 2.387 . 0 0 "[ . 1 . 2]" 1
1372 1 30 PHE QE 1 83 PRO HD2 . . 4.680 3.627 3.585 3.671 . 0 0 "[ . 1 . 2]" 1
1373 1 30 PHE QE 1 83 PRO HD3 . . 4.360 2.006 1.994 2.052 . 0 0 "[ . 1 . 2]" 1
1374 1 82 VAL MG1 1 83 PRO HD3 . . 4.360 4.265 4.255 4.276 . 0 0 "[ . 1 . 2]" 1
1375 1 31 VAL HB 1 84 ALA HA . . 4.260 4.276 4.266 4.287 0.027 10 0 "[ . 1 . 2]" 1
1376 1 84 ALA HA 1 87 ILE HG13 . . 3.910 3.263 3.227 3.285 . 0 0 "[ . 1 . 2]" 1
1377 1 83 PRO HB2 1 84 ALA HA . . 5.470 4.911 4.887 4.939 . 0 0 "[ . 1 . 2]" 1
1378 1 84 ALA HA 1 87 ILE HB . . 5.500 4.807 4.775 4.834 . 0 0 "[ . 1 . 2]" 1
1379 1 30 PHE HA 1 84 ALA HA . . 5.100 4.986 4.945 5.020 . 0 0 "[ . 1 . 2]" 1
1380 1 84 ALA HA 1 86 SER H . . 5.220 4.560 4.501 4.583 . 0 0 "[ . 1 . 2]" 1
1381 1 84 ALA HA 1 87 ILE H . . 5.390 3.766 3.729 3.818 . 0 0 "[ . 1 . 2]" 1
1382 1 84 ALA HA 1 85 ASP H . . 3.460 3.316 3.303 3.331 . 0 0 "[ . 1 . 2]" 1
1383 1 31 VAL H 1 84 ALA HA . . 5.080 4.892 4.850 4.925 . 0 0 "[ . 1 . 2]" 1
1384 1 31 VAL H 1 84 ALA MB . . 4.320 4.315 4.275 4.338 0.018 5 0 "[ . 1 . 2]" 1
1385 1 30 PHE H 1 84 ALA MB . . 4.810 4.762 4.709 4.807 . 0 0 "[ . 1 . 2]" 1
1386 1 84 ALA H 1 84 ALA MB . . 2.800 2.225 2.209 2.238 . 0 0 "[ . 1 . 2]" 1
1387 1 84 ALA MB 1 85 ASP H . . 3.260 3.207 3.181 3.230 . 0 0 "[ . 1 . 2]" 1
1388 1 84 ALA MB 1 87 ILE H . . 5.500 4.891 4.859 4.928 . 0 0 "[ . 1 . 2]" 1
1389 1 30 PHE HA 1 84 ALA MB . . 4.210 3.973 3.940 4.015 . 0 0 "[ . 1 . 2]" 1
1390 1 29 ILE HA 1 84 ALA MB . . 5.280 5.052 4.989 5.127 . 0 0 "[ . 1 . 2]" 1
1391 1 84 ALA MB 1 85 ASP HA . . 4.370 4.030 4.008 4.050 . 0 0 "[ . 1 . 2]" 1
1392 1 29 ILE HB 1 84 ALA MB . . 3.390 3.188 3.064 3.236 . 0 0 "[ . 1 . 2]" 1
1393 1 31 VAL HB 1 84 ALA MB . . 4.020 3.924 3.883 3.991 . 0 0 "[ . 1 . 2]" 1
1394 1 29 ILE MG 1 84 ALA MB . . 2.820 2.109 2.062 2.163 . 0 0 "[ . 1 . 2]" 1
1395 1 85 ASP HA 1 87 ILE H . . 4.810 3.969 3.950 4.006 . 0 0 "[ . 1 . 2]" 1
1396 1 84 ALA MB 1 85 ASP HB2 . . 5.500 4.718 4.148 5.430 . 0 0 "[ . 1 . 2]" 1
1397 1 84 ALA MB 1 85 ASP HB3 . . 5.500 5.111 4.208 5.458 . 0 0 "[ . 1 . 2]" 1
1398 1 85 ASP H 1 86 SER HA . . 5.040 4.921 4.895 4.944 . 0 0 "[ . 1 . 2]" 1
1399 1 86 SER HA 1 87 ILE HG13 . . 4.530 4.526 4.496 4.553 0.023 16 0 "[ . 1 . 2]" 1
1400 1 83 PRO HB2 1 86 SER HA . . 5.470 5.130 5.123 5.140 . 0 0 "[ . 1 . 2]" 1
1401 1 83 PRO HD2 1 86 SER HB3 . . 4.730 4.318 4.289 4.342 . 0 0 "[ . 1 . 2]" 1
1402 1 86 SER HB3 1 88 GLN H . . 4.700 4.715 4.704 4.744 0.044 11 0 "[ . 1 . 2]" 1
1403 1 82 VAL HB 1 86 SER HB3 . . 5.500 5.402 5.367 5.427 . 0 0 "[ . 1 . 2]" 1
1404 1 82 VAL HB 1 86 SER HB2 . . 5.500 5.528 5.523 5.531 0.031 18 0 "[ . 1 . 2]" 1
1405 1 83 PRO HG3 1 86 SER HB3 . . 4.840 3.859 3.840 3.881 . 0 0 "[ . 1 . 2]" 1
1406 1 83 PRO HB2 1 86 SER HB3 . . 4.820 4.835 4.828 4.842 0.022 3 0 "[ . 1 . 2]" 1
1407 1 83 PRO HG2 1 86 SER HB3 . . 4.260 3.006 2.990 3.016 . 0 0 "[ . 1 . 2]" 1
1408 1 82 VAL MG2 1 86 SER HB2 . . 5.500 5.411 5.395 5.440 . 0 0 "[ . 1 . 2]" 1
1409 1 82 VAL MG2 1 86 SER HB3 . . 5.480 5.490 5.486 5.495 0.015 2 0 "[ . 1 . 2]" 1
1410 1 87 ILE HA 1 88 GLN HB3 . . 5.370 4.758 4.720 4.826 . 0 0 "[ . 1 . 2]" 1
1411 1 87 ILE HA 1 87 ILE HG12 . . 3.660 2.688 2.673 2.698 . 0 0 "[ . 1 . 2]" 1
1412 1 87 ILE HA 1 87 ILE MG . . 3.100 2.208 2.195 2.249 . 0 0 "[ . 1 . 2]" 1
1413 1 87 ILE HA 1 87 ILE MD . . 3.990 3.715 3.696 3.733 . 0 0 "[ . 1 . 2]" 1
1414 1 86 SER HA 1 87 ILE HB . . 5.500 5.206 5.191 5.230 . 0 0 "[ . 1 . 2]" 1
1415 1 87 ILE HB 1 90 GLU HA . . 3.780 3.177 3.113 3.265 . 0 0 "[ . 1 . 2]" 1
1416 1 85 ASP H 1 87 ILE HG12 . . 4.770 3.635 3.612 3.677 . 0 0 "[ . 1 . 2]" 1
1417 1 85 ASP H 1 87 ILE HG13 . . 4.390 4.371 4.346 4.392 0.002 2 0 "[ . 1 . 2]" 1
1418 1 84 ALA HA 1 87 ILE HG12 . . 4.780 1.993 1.988 1.998 . 0 0 "[ . 1 . 2]" 1
1419 1 87 ILE HA 1 87 ILE HG13 . . 3.740 3.588 3.567 3.601 . 0 0 "[ . 1 . 2]" 1
1420 1 87 ILE HG12 1 87 ILE MG . . 3.220 2.614 2.583 2.631 . 0 0 "[ . 1 . 2]" 1
1421 1 87 ILE MG 1 88 GLN H . . 3.530 3.253 3.184 3.268 . 0 0 "[ . 1 . 2]" 1
1422 1 87 ILE H 1 87 ILE MG . . 3.660 3.636 3.630 3.641 . 0 0 "[ . 1 . 2]" 1
1423 1 87 ILE MG 1 90 GLU HA . . 3.440 1.875 1.851 1.927 . 0 0 "[ . 1 . 2]" 1
1424 1 87 ILE MG 1 88 GLN HG2 . . 5.400 4.400 4.167 5.475 0.075 11 0 "[ . 1 . 2]" 1
1425 1 87 ILE MG 1 88 GLN HG3 . . 5.400 4.769 3.994 5.120 . 0 0 "[ . 1 . 2]" 1
1426 1 87 ILE H 1 87 ILE MD . . 3.900 3.504 3.497 3.514 . 0 0 "[ . 1 . 2]" 1
1427 1 85 ASP H 1 87 ILE MD . . 4.660 4.475 4.428 4.504 . 0 0 "[ . 1 . 2]" 1
1428 1 88 GLN HA 1 89 ALA MB . . 4.930 4.835 4.802 4.901 . 0 0 "[ . 1 . 2]" 1
1429 1 87 ILE MG 1 88 GLN HA . . 4.850 4.548 4.523 4.560 . 0 0 "[ . 1 . 2]" 1
1430 1 82 VAL MG1 1 88 GLN HB2 . . 5.240 4.686 4.543 4.836 . 0 0 "[ . 1 . 2]" 1
1431 1 82 VAL MG1 1 88 GLN HB3 . . 4.800 4.330 4.223 4.505 . 0 0 "[ . 1 . 2]" 1
1432 1 82 VAL MG2 1 88 GLN HB2 . . 5.500 5.396 5.327 5.463 . 0 0 "[ . 1 . 2]" 1
1433 1 27 VAL MG1 1 53 GLN HG3 . . 3.850 3.465 3.319 3.658 . 0 0 "[ . 1 . 2]" 1
1434 1 87 ILE MG 1 89 ALA HA . . 4.590 4.239 4.197 4.335 . 0 0 "[ . 1 . 2]" 1
1435 1 89 ALA HA 1 92 TRP HD1 . . 4.510 4.366 4.317 4.401 . 0 0 "[ . 1 . 2]" 1
1436 1 89 ALA HA 1 92 TRP H . . 4.550 4.479 4.423 4.503 . 0 0 "[ . 1 . 2]" 1
1437 1 89 ALA H 1 89 ALA MB . . 2.860 2.341 2.242 2.385 . 0 0 "[ . 1 . 2]" 1
1438 1 89 ALA MB 1 92 TRP H . . 4.100 3.406 3.367 3.449 . 0 0 "[ . 1 . 2]" 1
1439 1 89 ALA MB 1 92 TRP HB3 . . 4.180 3.439 3.390 3.496 . 0 0 "[ . 1 . 2]" 1
1440 1 88 GLN HB2 1 89 ALA MB . . 4.560 4.418 4.322 4.481 . 0 0 "[ . 1 . 2]" 1
1441 1 82 VAL MG2 1 89 ALA MB . . 3.630 3.502 3.397 3.580 . 0 0 "[ . 1 . 2]" 1
1442 1 87 ILE MG 1 89 ALA MB . . 3.510 3.469 3.379 3.532 0.022 18 0 "[ . 1 . 2]" 1
1443 1 90 GLU HA 1 93 TYR HB3 . . 4.520 3.682 3.648 3.730 . 0 0 "[ . 1 . 2]" 1
1444 1 89 ALA MB 1 90 GLU HA . . 4.510 4.374 4.355 4.393 . 0 0 "[ . 1 . 2]" 1
1445 1 90 GLU HA 1 90 GLU HG2 . . 4.210 3.660 3.498 4.116 . 0 0 "[ . 1 . 2]" 1
1446 1 90 GLU HA 1 90 GLU HG3 . . 4.210 3.873 3.503 4.020 . 0 0 "[ . 1 . 2]" 1
1447 1 87 ILE MG 1 90 GLU HG2 . . 5.030 3.795 3.630 4.306 . 0 0 "[ . 1 . 2]" 1
1448 1 87 ILE MD 1 90 GLU HG3 . . 5.500 5.450 5.208 5.521 0.021 9 0 "[ . 1 . 2]" 1
1449 1 87 ILE MD 1 90 GLU HG2 . . 5.500 5.118 4.874 5.212 . 0 0 "[ . 1 . 2]" 1
1450 1 91 GLU HA 1 93 TYR H . . 4.930 4.452 4.361 4.529 . 0 0 "[ . 1 . 2]" 1
1451 1 91 GLU HA 1 94 PHE QD . . 4.750 2.728 2.592 2.912 . 0 0 "[ . 1 . 2]" 1
1452 1 91 GLU HA 1 94 PHE HB2 . . 4.350 2.015 1.990 2.036 . 0 0 "[ . 1 . 2]" 1
1453 1 91 GLU HA 1 91 GLU HG3 . . 3.560 2.988 2.482 3.658 0.098 6 0 "[ . 1 . 2]" 1
1454 1 87 ILE MG 1 90 GLU HB3 . . 4.220 2.646 2.558 2.745 . 0 0 "[ . 1 . 2]" 1
1455 1 87 ILE HG13 1 90 GLU HB3 . . 4.820 3.791 3.724 3.866 . 0 0 "[ . 1 . 2]" 1
1456 1 89 ALA MB 1 91 GLU HB2 . . 5.170 3.742 3.673 3.857 . 0 0 "[ . 1 . 2]" 1
1457 1 91 GLU HB3 1 94 PHE HB2 . . 5.500 4.248 4.117 4.371 . 0 0 "[ . 1 . 2]" 1
1458 1 91 GLU HB2 1 92 TRP HD1 . . 4.830 4.884 4.863 4.907 0.077 11 0 "[ . 1 . 2]" 1
1459 1 90 GLU HB3 1 94 PHE QD . . 4.990 3.719 3.665 3.872 . 0 0 "[ . 1 . 2]" 1
1460 1 91 GLU H 1 91 GLU HB2 . . 3.050 2.596 2.420 2.793 . 0 0 "[ . 1 . 2]" 1
1461 1 91 GLU HA 1 91 GLU HG2 . . 3.560 2.634 2.285 3.579 0.019 7 0 "[ . 1 . 2]" 1
1462 1 91 GLU HB2 1 92 TRP HA . . 5.120 4.357 4.159 4.572 . 0 0 "[ . 1 . 2]" 1
1463 1 91 GLU HB3 1 92 TRP HA . . 5.500 4.419 4.223 4.627 . 0 0 "[ . 1 . 2]" 1
1464 1 92 TRP HA 1 92 TRP HD1 . . 4.590 4.615 4.598 4.624 0.034 13 0 "[ . 1 . 2]" 1
1465 1 92 TRP HA 1 92 TRP HE3 . . 4.070 3.976 3.961 4.005 . 0 0 "[ . 1 . 2]" 1
1466 1 92 TRP HB2 1 92 TRP HE3 . . 3.500 2.753 2.741 2.762 . 0 0 "[ . 1 . 2]" 1
1467 1 91 GLU HB2 1 92 TRP HB3 . . 4.770 4.491 4.372 4.633 . 0 0 "[ . 1 . 2]" 1
1468 1 87 ILE MG 1 92 TRP HB3 . . 5.500 5.164 5.136 5.214 . 0 0 "[ . 1 . 2]" 1
1469 1 92 TRP HB2 1 93 TYR HA . . 4.760 4.539 4.505 4.553 . 0 0 "[ . 1 . 2]" 1
1470 1 92 TRP HE3 1 93 TYR HA . . 4.160 2.287 2.253 2.312 . 0 0 "[ . 1 . 2]" 1
1471 1 93 TYR H 1 93 TYR HB3 . . 3.600 2.295 2.271 2.315 . 0 0 "[ . 1 . 2]" 1
1472 1 93 TYR HB2 1 94 PHE H . . 4.190 4.152 4.137 4.161 . 0 0 "[ . 1 . 2]" 1
1473 1 94 PHE HA 1 94 PHE QD . . 3.620 2.671 2.354 2.936 . 0 0 "[ . 1 . 2]" 1
1474 1 94 PHE H 1 94 PHE HB3 . . 3.510 3.494 3.488 3.500 . 0 0 "[ . 1 . 2]" 1
1475 1 91 GLU HA 1 94 PHE HB3 . . 4.710 3.422 3.385 3.455 . 0 0 "[ . 1 . 2]" 1
1476 1 96 LYS HA 1 96 LYS HG2 . . 4.000 3.047 2.178 3.868 . 0 0 "[ . 1 . 2]" 1
1477 1 96 LYS HA 1 96 LYS HG3 . . 4.000 3.012 2.454 3.671 . 0 0 "[ . 1 . 2]" 1
1478 1 96 LYS HA 1 96 LYS HD2 . . 5.500 3.571 2.033 4.947 . 0 0 "[ . 1 . 2]" 1
1479 1 96 LYS HA 1 96 LYS HD3 . . 5.500 3.804 2.758 4.891 . 0 0 "[ . 1 . 2]" 1
1480 1 97 MET ME 1 97 MET HG2 . . 3.860 2.967 2.205 3.398 . 0 0 "[ . 1 . 2]" 1
1481 1 97 MET ME 1 97 MET HG3 . . 3.860 2.634 1.995 3.370 . 0 0 "[ . 1 . 2]" 1
1482 1 97 MET HA 1 97 MET HG2 . . 3.910 2.932 2.310 3.911 0.001 1 0 "[ . 1 . 2]" 1
1483 1 97 MET HA 1 97 MET HG3 . . 3.910 2.881 2.393 3.676 . 0 0 "[ . 1 . 2]" 1
1484 1 97 MET HG2 1 98 GLY H . . 5.460 3.706 2.088 5.048 . 0 0 "[ . 1 . 2]" 1
1485 1 97 MET HG3 1 98 GLY H . . 5.460 3.851 2.224 5.212 . 0 0 "[ . 1 . 2]" 1
1486 1 29 ILE H 1 29 ILE HG13 . . 3.990 3.925 3.881 3.959 . 0 0 "[ . 1 . 2]" 1
1487 1 29 ILE HA 1 54 ILE HG12 . . 4.740 4.171 3.961 4.268 . 0 0 "[ . 1 . 2]" 1
1488 1 29 ILE HA 1 29 ILE HG12 . . 3.960 2.856 2.784 2.897 . 0 0 "[ . 1 . 2]" 1
1489 1 29 ILE HG12 1 53 GLN HA . . 5.500 5.462 5.300 5.503 0.003 5 0 "[ . 1 . 2]" 1
1490 1 53 GLN HA 1 54 ILE HG12 . . 4.870 3.811 3.748 3.976 . 0 0 "[ . 1 . 2]" 1
1491 1 28 THR HA 1 29 ILE HG12 . . 4.770 4.140 4.084 4.215 . 0 0 "[ . 1 . 2]" 1
1492 1 55 ILE HG12 1 55 ILE MG . . 3.440 2.173 2.080 2.276 . 0 0 "[ . 1 . 2]" 1
1493 1 29 ILE MG 1 30 PHE H . . 3.180 2.282 1.982 2.471 . 0 0 "[ . 1 . 2]" 1
1494 1 29 ILE MG 1 84 ALA H . . 4.130 2.639 2.602 2.677 . 0 0 "[ . 1 . 2]" 1
1495 1 29 ILE MG 1 51 ARG HA . . 4.290 4.227 4.153 4.293 0.003 7 0 "[ . 1 . 2]" 1
1496 1 29 ILE HA 1 29 ILE MG . . 3.120 2.523 2.497 2.545 . 0 0 "[ . 1 . 2]" 1
1497 1 29 ILE HG13 1 29 ILE MG . . 3.050 2.295 2.264 2.320 . 0 0 "[ . 1 . 2]" 1
1498 1 29 ILE HG12 1 29 ILE MG . . 3.270 3.198 3.194 3.200 . 0 0 "[ . 1 . 2]" 1
1499 1 29 ILE MD 1 52 PHE H . . 4.560 3.829 3.751 3.920 . 0 0 "[ . 1 . 2]" 1
1500 1 29 ILE MD 1 30 PHE H . . 3.700 3.076 3.014 3.118 . 0 0 "[ . 1 . 2]" 1
1501 1 28 THR HA 1 29 ILE MD . . 5.350 4.814 4.716 4.964 . 0 0 "[ . 1 . 2]" 1
1502 1 29 ILE MD 1 53 GLN HG3 . . 3.570 3.251 3.065 3.356 . 0 0 "[ . 1 . 2]" 1
1503 1 29 ILE MD 1 53 GLN HG2 . . 3.650 3.433 3.274 3.616 . 0 0 "[ . 1 . 2]" 1
1504 1 29 ILE MD 1 84 ALA MB . . 4.580 4.579 4.528 4.588 0.008 16 0 "[ . 1 . 2]" 1
1505 1 29 ILE MD 1 68 ILE HG12 . . 4.640 4.540 4.355 4.651 0.011 9 0 "[ . 1 . 2]" 1
1506 1 28 THR HA 1 29 ILE HB . . 4.510 4.459 4.436 4.491 . 0 0 "[ . 1 . 2]" 1
1507 1 28 THR HA 1 30 PHE QE . . 4.810 4.506 4.407 4.565 . 0 0 "[ . 1 . 2]" 1
1508 1 28 THR HB 1 54 ILE MG . . 5.190 3.889 3.777 4.017 . 0 0 "[ . 1 . 2]" 1
1509 1 28 THR HB 1 54 ILE MD . . 5.500 4.574 4.394 4.730 . 0 0 "[ . 1 . 2]" 1
1510 1 28 THR HB 1 54 ILE H . . 4.700 4.541 4.383 4.705 0.005 3 0 "[ . 1 . 2]" 1
1511 1 28 THR HB 1 29 ILE H . . 4.140 3.989 3.865 4.072 . 0 0 "[ . 1 . 2]" 1
1512 1 28 THR HB 1 30 PHE QE . . 3.920 2.000 1.993 2.023 . 0 0 "[ . 1 . 2]" 1
1513 1 28 THR HB 1 30 PHE QD . . 4.790 3.024 2.909 3.168 . 0 0 "[ . 1 . 2]" 1
1514 1 27 VAL MG1 1 28 THR HB . . 4.650 4.254 3.955 4.516 . 0 0 "[ . 1 . 2]" 1
1515 1 28 THR MG 1 84 ALA H . . 4.480 4.328 4.241 4.485 0.005 10 0 "[ . 1 . 2]" 1
1516 1 28 THR H 1 28 THR MG . . 3.960 3.878 3.835 3.924 . 0 0 "[ . 1 . 2]" 1
1517 1 28 THR MG 1 29 ILE H . . 3.340 2.432 2.209 2.621 . 0 0 "[ . 1 . 2]" 1
1518 1 28 THR MG 1 30 PHE QE . . 3.610 1.928 1.903 1.947 . 0 0 "[ . 1 . 2]" 1
1519 1 28 THR MG 1 30 PHE QD . . 3.910 2.884 2.786 2.934 . 0 0 "[ . 1 . 2]" 1
1520 1 28 THR MG 1 30 PHE HA . . 4.730 4.590 4.523 4.730 0.000 10 0 "[ . 1 . 2]" 1
1521 1 28 THR MG 1 29 ILE HA . . 4.410 4.131 4.011 4.318 . 0 0 "[ . 1 . 2]" 1
1522 1 28 THR HA 1 28 THR MG . . 2.940 2.341 2.159 2.375 . 0 0 "[ . 1 . 2]" 1
1523 1 28 THR MG 1 83 PRO HA . . 3.990 3.681 3.601 3.759 . 0 0 "[ . 1 . 2]" 1
1524 1 28 THR MG 1 83 PRO HG3 . . 4.590 4.263 4.155 4.457 . 0 0 "[ . 1 . 2]" 1
1525 1 28 THR MG 1 83 PRO HB2 . . 3.690 3.463 3.369 3.600 . 0 0 "[ . 1 . 2]" 1
1526 1 28 THR MG 1 83 PRO HB3 . . 3.720 2.743 2.645 2.860 . 0 0 "[ . 1 . 2]" 1
1527 1 28 THR MG 1 54 ILE MG . . 5.230 4.853 4.760 4.989 . 0 0 "[ . 1 . 2]" 1
1528 1 28 THR MG 1 54 ILE MD . . 5.500 4.985 4.869 5.075 . 0 0 "[ . 1 . 2]" 1
1529 1 27 VAL H 1 27 VAL MG1 . . 3.870 3.821 3.761 3.863 . 0 0 "[ . 1 . 2]" 1
1530 1 27 VAL MG1 1 53 GLN HE21 . . 4.140 3.542 2.627 4.077 . 0 0 "[ . 1 . 2]" 1
1531 1 27 VAL HA 1 27 VAL MG1 . . 3.050 2.403 2.307 2.467 . 0 0 "[ . 1 . 2]" 1
1532 1 27 VAL MG2 1 53 GLN HE21 . . 4.480 4.238 3.767 4.480 . 0 0 "[ . 1 . 2]" 1
1533 1 27 VAL MG2 1 28 THR H . . 4.110 3.914 3.810 4.026 . 0 0 "[ . 1 . 2]" 1
1534 1 27 VAL HA 1 27 VAL MG2 . . 3.100 2.402 2.238 2.466 . 0 0 "[ . 1 . 2]" 1
1535 1 23 LEU HB2 1 24 THR HA . . 5.500 4.783 4.101 5.490 . 0 0 "[ . 1 . 2]" 1
1536 1 23 LEU HB3 1 24 THR HA . . 5.500 4.729 4.291 5.537 0.037 13 0 "[ . 1 . 2]" 1
1537 1 21 THR HA 1 23 LEU HG . . 5.500 4.530 3.090 5.482 . 0 0 "[ . 1 . 2]" 1
1538 1 24 THR HA 1 25 GLY HA2 . . 5.500 4.586 4.310 5.351 . 0 0 "[ . 1 . 2]" 1
1539 1 24 THR HA 1 25 GLY HA3 . . 5.500 4.460 4.333 4.873 . 0 0 "[ . 1 . 2]" 1
1540 1 24 THR HA 1 24 THR MG . . 3.010 2.313 2.158 3.186 0.176 17 0 "[ . 1 . 2]" 1
1541 1 23 LEU H 1 23 LEU HG . . 4.450 3.217 1.884 4.110 . 0 0 "[ . 1 . 2]" 1
1542 1 23 LEU HA 1 23 LEU HG . . 3.920 2.908 2.333 3.881 . 0 0 "[ . 1 . 2]" 1
1543 1 23 LEU HA 1 23 LEU MD1 . . 3.820 3.305 2.160 3.868 0.048 18 0 "[ . 1 . 2]" 1
1544 1 20 PRO HG2 1 23 LEU MD1 . . 6.110 3.110 2.052 4.502 . 0 0 "[ . 1 . 2]" 1
1545 1 19 TYR QD 1 23 LEU MD1 . . 4.990 3.072 2.041 4.380 . 0 0 "[ . 1 . 2]" 1
1546 1 23 LEU MD2 1 24 THR H . . 5.290 4.632 3.421 5.289 . 0 0 "[ . 1 . 2]" 1
1547 1 19 TYR QD 1 23 LEU MD2 . . 4.990 3.594 2.170 4.975 . 0 0 "[ . 1 . 2]" 1
1548 1 19 TYR QE 1 23 LEU MD2 . . 5.240 4.376 2.468 5.218 . 0 0 "[ . 1 . 2]" 1
1549 1 23 LEU HA 1 23 LEU MD2 . . 3.820 3.032 1.958 3.885 0.065 13 0 "[ . 1 . 2]" 1
1550 1 20 PRO HG2 1 23 LEU MD2 . . 6.110 2.747 1.907 4.276 . 0 0 "[ . 1 . 2]" 1
1551 1 21 THR HB 1 22 GLY H . . 4.650 3.188 1.954 4.658 0.008 16 0 "[ . 1 . 2]" 1
1552 1 21 THR HA 1 21 THR HB . . 2.940 2.484 2.407 2.552 . 0 0 "[ . 1 . 2]" 1
1553 1 19 TYR QD 1 21 THR MG . . 5.300 4.478 3.680 5.296 . 0 0 "[ . 1 . 2]" 1
1554 1 19 TYR QE 1 21 THR MG . . 5.040 3.945 2.947 5.046 0.006 18 0 "[ . 1 . 2]" 1
1555 1 19 TYR HB3 1 20 PRO HD2 . . 4.620 3.603 3.306 3.714 . 0 0 "[ . 1 . 2]" 1
1556 1 19 TYR QD 1 20 PRO HD2 . . 4.730 3.225 2.794 3.748 . 0 0 "[ . 1 . 2]" 1
1557 1 19 TYR QD 1 20 PRO HD3 . . 4.730 4.553 3.879 4.729 . 0 0 "[ . 1 . 2]" 1
1558 1 19 TYR HB3 1 20 PRO HD3 . . 4.620 4.550 4.288 4.731 0.111 18 0 "[ . 1 . 2]" 1
1559 1 19 TYR HB2 1 20 PRO HD3 . . 4.620 3.587 3.399 4.683 0.063 18 0 "[ . 1 . 2]" 1
1560 1 44 LEU MD1 1 46 PHE QD . . 4.490 3.699 3.505 3.869 . 0 0 "[ . 1 . 2]" 1
1561 1 75 TYR HA 1 75 TYR QD . . 3.850 2.165 2.010 2.348 . 0 0 "[ . 1 . 2]" 1
1562 1 90 GLU HA 1 93 TYR QD . . 4.130 2.246 2.183 2.373 . 0 0 "[ . 1 . 2]" 1
1563 1 93 TYR QD 1 94 PHE HA . . 4.490 2.833 2.811 2.847 . 0 0 "[ . 1 . 2]" 1
1564 1 93 TYR QD 1 94 PHE HB2 . . 4.710 4.642 4.631 4.651 . 0 0 "[ . 1 . 2]" 1
1565 1 90 GLU HB3 1 93 TYR QD . . 5.030 2.991 2.973 3.018 . 0 0 "[ . 1 . 2]" 1
1566 1 87 ILE HG13 1 93 TYR QD . . 5.090 4.715 4.617 4.869 . 0 0 "[ . 1 . 2]" 1
1567 1 87 ILE MG 1 93 TYR QD . . 4.830 2.569 2.438 2.742 . 0 0 "[ . 1 . 2]" 1
1568 1 87 ILE MD 1 93 TYR QD . . 4.950 2.332 2.186 2.497 . 0 0 "[ . 1 . 2]" 1
1569 1 93 TYR QD 1 94 PHE QD . . 4.460 3.822 3.552 4.012 . 0 0 "[ . 1 . 2]" 1
1570 1 92 TRP HZ2 1 93 TYR QD . . 4.630 3.494 3.469 3.540 . 0 0 "[ . 1 . 2]" 1
1571 1 93 TYR QE 1 94 PHE QD . . 4.800 3.224 3.143 3.270 . 0 0 "[ . 1 . 2]" 1
1572 1 93 TYR QE 1 94 PHE QE . . 4.710 2.781 2.409 3.066 . 0 0 "[ . 1 . 2]" 1
1573 1 90 GLU HA 1 93 TYR QE . . 4.660 3.432 3.346 3.602 . 0 0 "[ . 1 . 2]" 1
1574 1 90 GLU HB2 1 93 TYR QE . . 4.800 1.989 1.957 2.019 . 0 0 "[ . 1 . 2]" 1
1575 1 90 GLU HB3 1 93 TYR QE . . 5.020 2.166 2.073 2.337 . 0 0 "[ . 1 . 2]" 1
1576 1 87 ILE HG13 1 93 TYR QE . . 4.700 4.176 4.022 4.454 . 0 0 "[ . 1 . 2]" 1
1577 1 87 ILE MG 1 93 TYR QE . . 4.330 3.657 3.530 3.841 . 0 0 "[ . 1 . 2]" 1
1578 1 87 ILE MD 1 93 TYR QE . . 4.670 2.785 2.583 3.178 . 0 0 "[ . 1 . 2]" 1
1579 1 65 ALA H 1 75 TYR QD . . 4.860 4.027 3.914 4.225 . 0 0 "[ . 1 . 2]" 1
1580 1 64 GLU HA 1 75 TYR QD . . 4.400 2.104 1.996 2.248 . 0 0 "[ . 1 . 2]" 1
1581 1 74 GLY HA3 1 75 TYR QD . . 5.070 4.705 4.621 4.785 . 0 0 "[ . 1 . 2]" 1
1582 1 64 GLU HG3 1 75 TYR QD . . 4.590 2.943 2.730 3.216 . 0 0 "[ . 1 . 2]" 1
1583 1 64 GLU HB2 1 75 TYR QE . . 3.910 2.069 1.994 2.304 . 0 0 "[ . 1 . 2]" 1
1584 1 64 GLU HG3 1 75 TYR QE . . 3.980 2.788 2.552 3.155 . 0 0 "[ . 1 . 2]" 1
1585 1 42 GLU HB3 1 75 TYR QE . . 4.320 2.885 2.084 3.926 . 0 0 "[ . 1 . 2]" 1
1586 1 64 GLU HB3 1 75 TYR QE . . 4.300 3.575 3.480 3.769 . 0 0 "[ . 1 . 2]" 1
1587 1 75 TYR HA 1 75 TYR QE . . 4.660 4.431 4.343 4.537 . 0 0 "[ . 1 . 2]" 1
1588 1 75 TYR H 1 75 TYR QE . . 5.240 5.121 4.956 5.228 . 0 0 "[ . 1 . 2]" 1
1589 1 64 GLU H 1 75 TYR QE . . 4.860 4.627 4.459 4.850 . 0 0 "[ . 1 . 2]" 1
1590 1 65 ALA H 1 75 TYR QE . . 5.500 5.423 5.300 5.509 0.009 15 0 "[ . 1 . 2]" 1
1591 1 36 TYR QD 1 46 PHE QD . . 3.790 3.155 2.986 3.329 . 0 0 "[ . 1 . 2]" 1
1592 1 36 TYR QD 1 46 PHE QE . . 4.360 2.431 2.287 2.613 . 0 0 "[ . 1 . 2]" 1
1593 1 36 TYR HA 1 36 TYR QD . . 3.650 2.760 2.622 2.862 . 0 0 "[ . 1 . 2]" 1
1594 1 36 TYR QD 1 77 PRO HD3 . . 4.550 4.349 4.132 4.555 0.005 16 0 "[ . 1 . 2]" 1
1595 1 36 TYR QD 1 76 ILE MG . . 4.480 3.948 3.760 4.077 . 0 0 "[ . 1 . 2]" 1
1596 1 42 GLU HA 1 75 TYR QE . . 4.770 4.022 3.380 4.470 . 0 0 "[ . 1 . 2]" 1
1597 1 64 GLU HA 1 75 TYR QE . . 4.510 3.687 3.594 3.834 . 0 0 "[ . 1 . 2]" 1
1598 1 33 LEU HB3 1 34 TYR QD . . 4.410 4.383 4.290 4.421 0.011 5 0 "[ . 1 . 2]" 1
1599 1 33 LEU MD1 1 34 TYR QD . . 4.230 4.194 4.105 4.236 0.006 19 0 "[ . 1 . 2]" 1
1600 1 33 LEU HB2 1 34 TYR QD . . 4.160 3.347 3.192 3.467 . 0 0 "[ . 1 . 2]" 1
1601 1 34 TYR QD 1 80 TYR HA . . 3.480 2.087 1.992 2.310 . 0 0 "[ . 1 . 2]" 1
1602 1 34 TYR HA 1 34 TYR QD . . 3.660 2.920 2.763 2.993 . 0 0 "[ . 1 . 2]" 1
1603 1 34 TYR QD 1 35 ASP H . . 4.550 4.443 4.386 4.497 . 0 0 "[ . 1 . 2]" 1
1604 1 33 LEU HB3 1 34 TYR QE . . 4.310 4.113 4.004 4.181 . 0 0 "[ . 1 . 2]" 1
1605 1 33 LEU HB2 1 34 TYR QE . . 4.090 3.259 3.135 3.372 . 0 0 "[ . 1 . 2]" 1
1606 1 33 LEU HG 1 34 TYR QE . . 5.150 4.460 4.301 4.731 . 0 0 "[ . 1 . 2]" 1
1607 1 34 TYR QE 1 80 TYR HA . . 3.540 2.089 1.998 2.387 . 0 0 "[ . 1 . 2]" 1
1608 1 34 TYR HA 1 34 TYR QE . . 4.920 4.896 4.830 4.922 0.002 16 0 "[ . 1 . 2]" 1
1609 1 34 TYR H 1 34 TYR QE . . 4.860 4.296 4.233 4.405 . 0 0 "[ . 1 . 2]" 1
1610 1 34 TYR QE 1 80 TYR QE . . 5.390 4.831 4.687 4.966 . 0 0 "[ . 1 . 2]" 1
1611 1 34 TYR QE 1 80 TYR QD . . 4.400 3.841 3.673 4.058 . 0 0 "[ . 1 . 2]" 1
1612 1 33 LEU H 1 34 TYR QE . . 5.120 4.789 4.729 4.891 . 0 0 "[ . 1 . 2]" 1
1613 1 90 GLU HA 1 94 PHE QD . . 4.510 3.896 3.786 4.158 . 0 0 "[ . 1 . 2]" 1
1614 1 52 PHE QD 1 81 VAL MG1 . . 4.120 3.524 3.291 3.673 . 0 0 "[ . 1 . 2]" 1
1615 1 32 ALA MB 1 52 PHE QD . . 5.050 3.726 3.589 3.846 . 0 0 "[ . 1 . 2]" 1
1616 1 50 GLU HB3 1 52 PHE QD . . 5.500 4.085 4.001 4.238 . 0 0 "[ . 1 . 2]" 1
1617 1 52 PHE QE 1 76 ILE MG . . 4.900 4.233 4.120 4.306 . 0 0 "[ . 1 . 2]" 1
1618 1 46 PHE QD 1 52 PHE HZ . . 4.500 4.011 3.949 4.034 . 0 0 "[ . 1 . 2]" 1
1619 1 38 ALA HA 1 46 PHE QD . . 5.500 5.504 5.495 5.520 0.020 10 0 "[ . 1 . 2]" 1
1620 1 46 PHE QD 1 47 LYS HA . . 5.070 3.922 3.705 4.213 . 0 0 "[ . 1 . 2]" 1
1621 1 30 PHE QD 1 83 PRO HB3 . . 4.770 3.796 3.746 3.880 . 0 0 "[ . 1 . 2]" 1
1622 1 30 PHE QD 1 83 PRO HD3 . . 4.650 3.356 3.298 3.393 . 0 0 "[ . 1 . 2]" 1
1623 1 30 PHE QD 1 82 VAL HA . . 4.090 2.777 2.718 2.828 . 0 0 "[ . 1 . 2]" 1
1624 1 30 PHE HA 1 30 PHE QD . . 4.440 3.038 3.014 3.058 . 0 0 "[ . 1 . 2]" 1
1625 1 30 PHE QD 1 63 TRP HZ3 . . 4.650 3.500 3.401 3.635 . 0 0 "[ . 1 . 2]" 1
1626 1 27 VAL MG1 1 30 PHE QD . . 5.500 4.914 4.642 5.303 . 0 0 "[ . 1 . 2]" 1
1627 1 29 ILE MG 1 30 PHE QD . . 5.500 4.309 4.203 4.411 . 0 0 "[ . 1 . 2]" 1
1628 1 30 PHE QD 1 54 ILE HG13 . . 3.770 2.624 2.493 2.915 . 0 0 "[ . 1 . 2]" 1
1629 1 30 PHE QE 1 82 VAL HA . . 4.350 2.819 2.703 2.922 . 0 0 "[ . 1 . 2]" 1
1630 1 30 PHE QE 1 81 VAL HB . . 5.190 5.036 4.910 5.152 . 0 0 "[ . 1 . 2]" 1
1631 1 30 PHE QE 1 83 PRO HB3 . . 4.610 2.979 2.870 3.128 . 0 0 "[ . 1 . 2]" 1
1632 1 30 PHE QE 1 54 ILE HG12 . . 4.870 3.848 3.582 3.998 . 0 0 "[ . 1 . 2]" 1
1633 1 30 PHE QE 1 54 ILE HG13 . . 4.030 2.865 2.707 3.026 . 0 0 "[ . 1 . 2]" 1
1634 1 30 PHE QE 1 54 ILE MG . . 4.730 4.101 3.961 4.261 . 0 0 "[ . 1 . 2]" 1
1635 1 30 PHE H 1 30 PHE QE . . 5.500 5.510 5.494 5.525 0.025 3 0 "[ . 1 . 2]" 1
1636 1 34 TYR HB3 1 80 TYR QD . . 4.240 3.832 3.616 4.015 . 0 0 "[ . 1 . 2]" 1
1637 1 32 ALA MB 1 80 TYR QD . . 4.880 4.787 4.663 4.867 . 0 0 "[ . 1 . 2]" 1
1638 1 77 PRO HB3 1 80 TYR QD . . 5.050 4.940 4.756 5.048 . 0 0 "[ . 1 . 2]" 1
1639 1 77 PRO HG2 1 80 TYR QD . . 3.930 3.614 3.464 3.647 . 0 0 "[ . 1 . 2]" 1
1640 1 80 TYR QD 1 81 VAL MG1 . . 5.100 4.610 4.547 4.713 . 0 0 "[ . 1 . 2]" 1
1641 1 80 TYR HA 1 80 TYR QD . . 3.930 2.565 2.464 2.741 . 0 0 "[ . 1 . 2]" 1
1642 1 34 TYR QD 1 80 TYR QD . . 3.730 2.841 2.662 3.005 . 0 0 "[ . 1 . 2]" 1
1643 1 80 TYR H 1 80 TYR QD . . 3.740 3.094 2.927 3.145 . 0 0 "[ . 1 . 2]" 1
1644 1 36 TYR HA 1 80 TYR QD . . 5.120 4.457 4.331 4.669 . 0 0 "[ . 1 . 2]" 1
1645 1 77 PRO HG2 1 80 TYR QE . . 5.010 4.995 4.764 5.026 0.016 20 0 "[ . 1 . 2]" 1
1646 1 77 PRO HB2 1 80 TYR QE . . 5.030 4.935 4.767 5.031 0.001 9 0 "[ . 1 . 2]" 1
1647 1 36 TYR HB2 1 80 TYR QE . . 3.860 3.481 3.290 3.749 . 0 0 "[ . 1 . 2]" 1
1648 1 34 TYR HB3 1 80 TYR QE . . 4.020 3.547 3.320 3.770 . 0 0 "[ . 1 . 2]" 1
1649 1 34 TYR HB2 1 80 TYR QE . . 4.020 2.872 2.746 3.010 . 0 0 "[ . 1 . 2]" 1
1650 1 36 TYR HA 1 80 TYR QE . . 4.320 4.093 3.969 4.244 . 0 0 "[ . 1 . 2]" 1
1651 1 34 TYR QD 1 80 TYR QE . . 3.940 3.904 3.776 3.945 0.005 19 0 "[ . 1 . 2]" 1
1652 1 46 PHE QE 1 80 TYR QE . . 5.090 4.953 4.817 5.098 0.008 4 0 "[ . 1 . 2]" 1
1653 1 80 TYR H 1 80 TYR QE . . 5.410 5.365 5.214 5.405 . 0 0 "[ . 1 . 2]" 1
1654 1 35 ASP H 1 80 TYR QE . . 5.090 4.969 4.822 5.096 0.006 13 0 "[ . 1 . 2]" 1
1655 1 36 TYR H 1 80 TYR QE . . 5.500 5.508 5.503 5.520 0.020 9 0 "[ . 1 . 2]" 1
1656 1 46 PHE QE 1 76 ILE HA . . 5.010 2.527 2.391 2.836 . 0 0 "[ . 1 . 2]" 1
1657 1 46 PHE HZ 1 76 ILE MD . . 5.340 5.038 4.863 5.226 . 0 0 "[ . 1 . 2]" 1
1658 1 46 PHE HZ 1 77 PRO HG3 . . 4.310 2.941 2.725 3.280 . 0 0 "[ . 1 . 2]" 1
1659 1 36 TYR HB3 1 46 PHE HZ . . 4.850 2.758 2.716 2.791 . 0 0 "[ . 1 . 2]" 1
1660 1 46 PHE HZ 1 77 PRO HG2 . . 5.000 2.385 2.254 2.641 . 0 0 "[ . 1 . 2]" 1
1661 1 32 ALA MB 1 46 PHE HZ . . 5.040 4.925 4.725 5.042 0.002 19 0 "[ . 1 . 2]" 1
1662 1 46 PHE HZ 1 80 TYR HB2 . . 4.160 3.215 3.040 3.501 . 0 0 "[ . 1 . 2]" 1
1663 1 46 PHE HZ 1 80 TYR HB3 . . 4.160 3.637 3.497 3.904 . 0 0 "[ . 1 . 2]" 1
1664 1 36 TYR QD 1 46 PHE HZ . . 4.630 3.306 3.205 3.435 . 0 0 "[ . 1 . 2]" 1
1665 1 46 PHE HZ 1 80 TYR QD . . 3.940 3.709 3.510 3.879 . 0 0 "[ . 1 . 2]" 1
1666 1 90 GLU HA 1 94 PHE QE . . 4.990 4.647 4.546 4.894 . 0 0 "[ . 1 . 2]" 1
1667 1 94 PHE HA 1 94 PHE QE . . 4.550 4.374 4.256 4.469 . 0 0 "[ . 1 . 2]" 1
1668 1 87 ILE MG 1 92 TRP HD1 . . 4.840 3.159 3.132 3.211 . 0 0 "[ . 1 . 2]" 1
1669 1 87 ILE MD 1 92 TRP HD1 . . 5.500 5.086 5.040 5.128 . 0 0 "[ . 1 . 2]" 1
1670 1 92 TRP HB3 1 92 TRP HD1 . . 3.470 2.581 2.578 2.584 . 0 0 "[ . 1 . 2]" 1
1671 1 90 GLU HA 1 92 TRP HD1 . . 5.150 3.404 3.321 3.489 . 0 0 "[ . 1 . 2]" 1
1672 1 87 ILE MG 1 92 TRP HZ2 . . 4.970 2.899 2.870 2.935 . 0 0 "[ . 1 . 2]" 1
1673 1 31 VAL MG1 1 92 TRP HH2 . . 4.970 3.763 3.570 4.125 . 0 0 "[ . 1 . 2]" 1
1674 1 87 ILE MG 1 92 TRP HH2 . . 5.500 4.846 4.811 4.885 . 0 0 "[ . 1 . 2]" 1
1675 1 87 ILE MD 1 92 TRP HZ3 . . 5.500 5.562 5.548 5.576 0.076 20 0 "[ . 1 . 2]" 1
1676 1 31 VAL MG1 1 92 TRP HZ3 . . 5.050 4.610 4.386 5.041 . 0 0 "[ . 1 . 2]" 1
1677 1 54 ILE MG 1 63 TRP HD1 . . 5.340 5.012 4.868 5.221 . 0 0 "[ . 1 . 2]" 1
1678 1 33 LEU MD2 1 92 TRP HH2 . . 5.500 5.503 5.492 5.513 0.013 16 0 "[ . 1 . 2]" 1
1679 1 63 TRP HZ2 1 78 SER HB2 . . 4.990 3.715 3.599 3.951 . 0 0 "[ . 1 . 2]" 1
1680 1 63 TRP HZ2 1 78 SER HB3 . . 4.990 3.904 3.676 4.220 . 0 0 "[ . 1 . 2]" 1
1681 1 63 TRP HH2 1 81 VAL MG2 . . 5.240 5.226 5.086 5.249 0.009 9 0 "[ . 1 . 2]" 1
1682 1 54 ILE MD 1 63 TRP HZ3 . . 4.220 4.082 3.937 4.220 . 11 0 "[ . 1 . 2]" 1
1683 1 30 PHE QE 1 63 TRP HZ3 . . 4.610 2.006 1.992 2.131 . 0 0 "[ . 1 . 2]" 1
1684 1 63 TRP HE3 1 76 ILE MD . . 4.220 3.987 3.817 4.221 0.001 16 0 "[ . 1 . 2]" 1
1685 1 63 TRP HB3 1 63 TRP HE3 . . 4.120 3.302 3.142 3.377 . 0 0 "[ . 1 . 2]" 1
1686 1 63 TRP HB2 1 63 TRP HE3 . . 4.120 2.634 2.578 2.761 . 0 0 "[ . 1 . 2]" 1
1687 1 62 TRP HA 1 62 TRP HD1 . . 4.860 3.874 3.777 3.996 . 0 0 "[ . 1 . 2]" 1
1688 1 62 TRP HZ2 1 77 PRO HD3 . . 5.390 5.188 5.121 5.291 . 0 0 "[ . 1 . 2]" 1
1689 1 62 TRP HZ2 1 77 PRO HB3 . . 5.350 4.238 4.100 4.440 . 0 0 "[ . 1 . 2]" 1
1690 1 39 ARG HD2 1 62 TRP HH2 . . 5.150 3.903 3.081 5.058 . 0 0 "[ . 1 . 2]" 1
1691 1 62 TRP HH2 1 77 PRO HD3 . . 4.820 3.683 3.495 3.803 . 0 0 "[ . 1 . 2]" 1
1692 1 62 TRP HH2 1 77 PRO HD2 . . 5.500 5.270 5.130 5.370 . 0 0 "[ . 1 . 2]" 1
1693 1 62 TRP HH2 1 77 PRO HB3 . . 5.230 4.089 3.954 4.300 . 0 0 "[ . 1 . 2]" 1
1694 1 62 TRP HZ3 1 77 PRO HB2 . . 5.500 5.434 5.326 5.510 0.010 15 0 "[ . 1 . 2]" 1
1695 1 62 TRP HZ3 1 76 ILE HA . . 4.570 3.240 2.957 3.400 . 0 0 "[ . 1 . 2]" 1
1696 1 62 TRP HA 1 62 TRP HE3 . . 4.170 3.699 3.570 3.815 . 0 0 "[ . 1 . 2]" 1
1697 1 62 TRP HE3 1 75 TYR HB3 . . 4.170 3.167 2.850 3.382 . 0 0 "[ . 1 . 2]" 1
1698 1 62 TRP HB3 1 62 TRP HE3 . . 3.600 2.430 2.413 2.453 . 0 0 "[ . 1 . 2]" 1
1699 1 19 TYR QE 1 23 LEU MD1 . . 5.240 3.451 1.962 5.129 . 0 0 "[ . 1 . 2]" 1
1700 1 19 TYR HB2 1 20 PRO HD2 . . 4.620 2.212 2.000 3.791 . 0 0 "[ . 1 . 2]" 1
1701 1 36 TYR QE 1 77 PRO HG3 . . 5.260 4.117 3.853 4.501 . 0 0 "[ . 1 . 2]" 1
1702 1 36 TYR QE 1 38 ALA MB . . 3.840 3.521 3.309 3.703 . 0 0 "[ . 1 . 2]" 1
1703 1 36 TYR QE 1 43 ASP HB3 . . 3.520 2.709 2.512 2.894 . 0 0 "[ . 1 . 2]" 1
1704 1 36 TYR HA 1 36 TYR QE . . 4.790 4.680 4.608 4.762 . 0 0 "[ . 1 . 2]" 1
1705 1 36 TYR QE 1 43 ASP HA . . 5.020 4.972 4.805 5.028 0.008 10 0 "[ . 1 . 2]" 1
1706 1 36 TYR QE 1 62 TRP HH2 . . 4.610 3.196 2.739 3.445 . 0 0 "[ . 1 . 2]" 1
1707 1 36 TYR QE 1 46 PHE QE . . 5.000 3.337 3.187 3.577 . 0 0 "[ . 1 . 2]" 1
1708 1 48 LYS HG3 1 50 GLU H . . 5.500 5.367 5.134 5.499 . 0 0 "[ . 1 . 2]" 1
1709 1 36 TYR QD 1 45 SER HA . . 3.860 3.252 2.800 3.496 . 0 0 "[ . 1 . 2]" 1
1710 1 84 ALA HA 1 87 ILE MD . . 3.940 2.151 2.079 2.220 . 0 0 "[ . 1 . 2]" 1
1711 1 87 ILE MD 1 92 TRP HZ2 . . 4.270 2.248 2.215 2.293 . 0 0 "[ . 1 . 2]" 1
1712 1 89 ALA MB 1 92 TRP HD1 . . 4.700 2.322 2.237 2.421 . 0 0 "[ . 1 . 2]" 1
1713 1 87 ILE HA 1 90 GLU HB3 . . 4.910 4.808 4.748 4.858 . 0 0 "[ . 1 . 2]" 1
1714 1 97 MET HA 1 97 MET ME . . 4.170 3.889 2.773 4.170 . 0 0 "[ . 1 . 2]" 1
1715 1 31 VAL MG1 1 81 VAL HB . . 5.500 5.236 5.099 5.377 . 0 0 "[ . 1 . 2]" 1
1716 1 87 ILE MG 1 90 GLU HG3 . . 5.030 4.406 3.640 4.714 . 0 0 "[ . 1 . 2]" 1
1717 1 33 LEU H 1 33 LEU HG . . 3.700 1.983 1.904 2.082 . 0 0 "[ . 1 . 2]" 1
1718 1 33 LEU HG 1 34 TYR QD . . 5.500 4.767 4.631 4.970 . 0 0 "[ . 1 . 2]" 1
1719 1 33 LEU HG 1 81 VAL HA . . 4.390 3.147 3.000 3.253 . 0 0 "[ . 1 . 2]" 1
1720 1 32 ALA HA 1 33 LEU HG . . 4.620 3.636 3.517 3.752 . 0 0 "[ . 1 . 2]" 1
1721 1 66 ARG HG2 1 71 GLY HA3 . . 5.320 4.833 4.679 5.130 . 0 0 "[ . 1 . 2]" 1
1722 1 66 ARG HG3 1 71 GLY HA3 . . 5.500 5.405 5.134 5.509 0.009 20 0 "[ . 1 . 2]" 1
1723 1 90 GLU HB2 1 93 TYR QD . . 5.370 2.834 2.733 2.887 . 0 0 "[ . 1 . 2]" 1
1724 1 19 TYR H 1 19 TYR QB . . 3.260 2.673 2.178 3.137 . 0 0 "[ . 1 . 2]" 1
1725 1 19 TYR H 1 20 PRO QD . . 4.820 4.327 4.214 4.375 . 0 0 "[ . 1 . 2]" 1
1726 1 19 TYR QB 1 20 PRO QD . . 3.190 2.150 1.975 3.217 0.027 18 0 "[ . 1 . 2]" 1
1727 1 19 TYR QD 1 20 PRO QD . . 3.860 3.158 2.739 3.605 . 0 0 "[ . 1 . 2]" 1
1728 1 20 PRO QB 1 21 THR H . . 3.910 2.857 1.915 3.851 . 0 0 "[ . 1 . 2]" 1
1729 1 20 PRO QB 1 21 THR MG . . 4.780 4.481 4.028 4.778 . 0 0 "[ . 1 . 2]" 1
1730 1 20 PRO QB 1 23 LEU QD . . 4.590 3.105 1.779 4.010 . 0 0 "[ . 1 . 2]" 1
1731 1 20 PRO QG 1 23 LEU QD . . 3.700 2.362 1.760 3.253 . 0 0 "[ . 1 . 2]" 1
1732 1 20 PRO HG3 1 23 LEU MD1 . . 6.110 4.523 3.461 5.885 . 0 0 "[ . 1 . 2]" 1
1733 1 20 PRO HG3 1 23 LEU MD2 . . 6.110 3.897 2.509 5.530 . 0 0 "[ . 1 . 2]" 1
1734 1 20 PRO QD 1 23 LEU HG . . 5.350 4.955 3.862 5.350 . 0 0 "[ . 1 . 2]" 1
1735 1 20 PRO QD 1 23 LEU QD . . 4.250 3.274 2.181 4.099 . 0 0 "[ . 1 . 2]" 1
1736 1 21 THR HA 1 22 GLY QA . . 5.190 4.086 3.901 4.405 . 0 0 "[ . 1 . 2]" 1
1737 1 21 THR HA 1 23 LEU QD . . 4.930 3.069 2.576 3.573 . 0 0 "[ . 1 . 2]" 1
1738 1 21 THR HB 1 23 LEU QD . . 5.150 4.849 4.323 5.154 0.004 13 0 "[ . 1 . 2]" 1
1739 1 22 GLY QA 1 23 LEU QB . . 4.690 4.469 4.209 4.703 0.013 13 0 "[ . 1 . 2]" 1
1740 1 23 LEU H 1 23 LEU QB . . 3.200 2.431 2.253 2.701 . 0 0 "[ . 1 . 2]" 1
1741 1 23 LEU H 1 23 LEU QD . . 4.640 2.465 1.777 3.222 . 0 0 "[ . 1 . 2]" 1
1742 1 23 LEU HA 1 23 LEU QD . . 3.300 2.618 1.952 3.404 0.104 13 0 "[ . 1 . 2]" 1
1743 1 23 LEU QB 1 23 LEU QD . . 2.740 1.877 1.774 2.015 . 0 0 "[ . 1 . 2]" 1
1744 1 23 LEU QB 1 24 THR H . . 4.300 3.142 2.129 3.833 . 0 0 "[ . 1 . 2]" 1
1745 1 26 GLY QA 1 27 VAL H . . 2.780 2.584 2.111 2.779 . 0 0 "[ . 1 . 2]" 1
1746 1 26 GLY QA 1 27 VAL MG2 . . 3.770 3.403 3.136 3.717 . 0 0 "[ . 1 . 2]" 1
1747 1 33 LEU HA 1 48 LYS QE . . 4.790 3.768 3.030 4.558 . 0 0 "[ . 1 . 2]" 1
1748 1 34 TYR H 1 34 TYR QB . . 3.410 2.810 2.784 2.830 . 0 0 "[ . 1 . 2]" 1
1749 1 34 TYR H 1 80 TYR QB . . 4.600 3.474 3.319 3.603 . 0 0 "[ . 1 . 2]" 1
1750 1 34 TYR HA 1 48 LYS QB . . 3.960 2.806 2.582 2.956 . 0 0 "[ . 1 . 2]" 1
1751 1 34 TYR QB 1 35 ASP H . . 3.310 2.787 2.646 2.958 . 0 0 "[ . 1 . 2]" 1
1752 1 34 TYR QB 1 80 TYR QD . . 3.620 2.208 1.990 2.412 . 0 0 "[ . 1 . 2]" 1
1753 1 34 TYR QD 1 80 TYR QB . . 4.460 2.549 2.425 2.740 . 0 0 "[ . 1 . 2]" 1
1754 1 35 ASP H 1 35 ASP QB . . 3.290 2.733 2.537 2.870 . 0 0 "[ . 1 . 2]" 1
1755 1 35 ASP H 1 48 LYS QB . . 3.960 2.777 2.588 2.942 . 0 0 "[ . 1 . 2]" 1
1756 1 35 ASP QB 1 36 TYR H . . 3.410 3.230 3.011 3.411 0.001 7 0 "[ . 1 . 2]" 1
1757 1 35 ASP QB 1 47 LYS HA . . 4.200 3.056 2.856 3.192 . 0 0 "[ . 1 . 2]" 1
1758 1 35 ASP QB 1 48 LYS H . . 4.230 2.329 2.037 3.028 . 0 0 "[ . 1 . 2]" 1
1759 1 36 TYR H 1 47 LYS QD . . 5.340 3.485 3.052 4.361 . 0 0 "[ . 1 . 2]" 1
1760 1 36 TYR HA 1 37 GLU QB . . 4.260 3.900 3.856 3.964 . 0 0 "[ . 1 . 2]" 1
1761 1 36 TYR QE 1 39 ARG QD . . 4.640 3.461 2.947 4.057 . 0 0 "[ . 1 . 2]" 1
1762 1 37 GLU H 1 37 GLU QB . . 2.970 2.608 2.504 2.645 . 0 0 "[ . 1 . 2]" 1
1763 1 37 GLU H 1 37 GLU QG . . 4.680 4.162 4.052 4.315 . 0 0 "[ . 1 . 2]" 1
1764 1 37 GLU HA 1 37 GLU QG . . 3.570 2.453 2.164 2.900 . 0 0 "[ . 1 . 2]" 1
1765 1 37 GLU HA 1 45 SER QB . . 3.620 3.535 3.247 3.628 0.008 10 0 "[ . 1 . 2]" 1
1766 1 37 GLU QB 1 38 ALA H . . 3.960 3.794 3.743 3.842 . 0 0 "[ . 1 . 2]" 1
1767 1 37 GLU QG 1 38 ALA H . . 4.190 2.979 2.834 3.224 . 0 0 "[ . 1 . 2]" 1
1768 1 37 GLU QG 1 38 ALA MB . . 4.370 3.853 3.698 4.260 . 0 0 "[ . 1 . 2]" 1
1769 1 38 ALA HA 1 39 ARG QB . . 5.340 4.257 4.175 4.467 . 0 0 "[ . 1 . 2]" 1
1770 1 38 ALA HA 1 39 ARG QG . . 5.340 4.251 3.822 4.469 . 0 0 "[ . 1 . 2]" 1
1771 1 39 ARG H 1 39 ARG QB . . 3.500 2.294 2.178 2.568 . 0 0 "[ . 1 . 2]" 1
1772 1 39 ARG H 1 39 ARG QD . . 4.340 3.671 3.315 4.319 . 0 0 "[ . 1 . 2]" 1
1773 1 39 ARG HA 1 39 ARG QG . . 3.280 2.352 2.272 2.434 . 0 0 "[ . 1 . 2]" 1
1774 1 39 ARG HA 1 39 ARG QD . . 4.260 4.062 4.013 4.122 . 0 0 "[ . 1 . 2]" 1
1775 1 39 ARG QB 1 39 ARG QD . . 2.930 2.153 2.037 2.450 . 0 0 "[ . 1 . 2]" 1
1776 1 39 ARG QB 1 40 THR H . . 3.600 2.596 2.480 2.993 . 0 0 "[ . 1 . 2]" 1
1777 1 39 ARG QB 1 40 THR MG . . 3.060 2.378 2.264 2.461 . 0 0 "[ . 1 . 2]" 1
1778 1 39 ARG QG 1 40 THR MG . . 4.290 4.224 4.092 4.299 0.009 4 0 "[ . 1 . 2]" 1
1779 1 39 ARG QD 1 40 THR MG . . 4.590 4.195 3.806 4.469 . 0 0 "[ . 1 . 2]" 1
1780 1 39 ARG QD 1 62 TRP HZ2 . . 4.650 4.353 4.030 4.639 . 0 0 "[ . 1 . 2]" 1
1781 1 39 ARG QD 1 62 TRP HH2 . . 4.460 3.505 3.033 4.251 . 0 0 "[ . 1 . 2]" 1
1782 1 40 THR MG 1 42 GLU QB . . 5.020 4.088 2.186 4.990 . 0 0 "[ . 1 . 2]" 1
1783 1 42 GLU H 1 42 GLU QB . . 3.250 2.464 2.198 2.648 . 0 0 "[ . 1 . 2]" 1
1784 1 42 GLU H 1 42 GLU QG . . 3.580 2.286 1.891 2.725 . 0 0 "[ . 1 . 2]" 1
1785 1 42 GLU HA 1 42 GLU QG . . 3.590 2.750 2.431 3.329 . 0 0 "[ . 1 . 2]" 1
1786 1 42 GLU QB 1 75 TYR QD . . 3.700 2.825 2.441 3.064 . 0 0 "[ . 1 . 2]" 1
1787 1 44 LEU MD1 1 72 LYS QB . . 3.950 3.630 3.327 3.803 . 0 0 "[ . 1 . 2]" 1
1788 1 44 LEU MD2 1 45 SER QB . . 5.070 3.544 3.155 3.849 . 0 0 "[ . 1 . 2]" 1
1789 1 44 LEU MD2 1 67 SER QB . . 3.820 3.417 2.713 3.822 0.002 8 0 "[ . 1 . 2]" 1
1790 1 44 LEU MD2 1 72 LYS QB . . 3.300 2.057 1.748 2.244 . 0 0 "[ . 1 . 2]" 1
1791 1 44 LEU MD2 1 72 LYS QG . . 4.220 3.764 3.456 3.879 . 0 0 "[ . 1 . 2]" 1
1792 1 44 LEU MD2 1 72 LYS QD . . 3.800 2.837 2.466 3.000 . 0 0 "[ . 1 . 2]" 1
1793 1 44 LEU MD2 1 72 LYS QE . . 4.170 3.858 2.951 4.228 0.058 10 0 "[ . 1 . 2]" 1
1794 1 45 SER H 1 45 SER QB . . 3.060 2.532 2.159 2.867 . 0 0 "[ . 1 . 2]" 1
1795 1 45 SER H 1 72 LYS QD . . 4.800 3.320 2.889 3.495 . 0 0 "[ . 1 . 2]" 1
1796 1 45 SER H 1 72 LYS QE . . 5.340 4.570 3.981 4.839 . 0 0 "[ . 1 . 2]" 1
1797 1 45 SER QB 1 46 PHE H . . 3.540 3.443 3.363 3.564 0.024 19 0 "[ . 1 . 2]" 1
1798 1 46 PHE QE 1 80 TYR QB . . 4.260 2.559 2.436 2.642 . 0 0 "[ . 1 . 2]" 1
1799 1 47 LYS H 1 47 LYS QD . . 4.460 4.253 4.024 4.444 . 0 0 "[ . 1 . 2]" 1
1800 1 47 LYS HA 1 47 LYS QE . . 4.650 4.012 3.542 4.286 . 0 0 "[ . 1 . 2]" 1
1801 1 47 LYS HA 1 48 LYS QB . . 4.330 4.240 4.213 4.267 . 0 0 "[ . 1 . 2]" 1
1802 1 47 LYS QB 1 47 LYS QD . . 3.130 2.232 2.134 2.303 . 0 0 "[ . 1 . 2]" 1
1803 1 47 LYS QB 1 47 LYS QE . . 4.090 3.671 3.499 3.798 . 0 0 "[ . 1 . 2]" 1
1804 1 47 LYS QB 1 48 LYS H . . 3.350 2.393 2.226 2.544 . 0 0 "[ . 1 . 2]" 1
1805 1 47 LYS QD 1 47 LYS HG2 . . 2.570 2.334 2.215 2.455 . 0 0 "[ . 1 . 2]" 1
1806 1 47 LYS QE 1 47 LYS HG2 . . 3.430 2.475 2.146 2.796 . 0 0 "[ . 1 . 2]" 1
1807 1 47 LYS QD 1 47 LYS HG3 . . 2.560 2.361 2.239 2.477 . 0 0 "[ . 1 . 2]" 1
1808 1 47 LYS QE 1 47 LYS HG3 . . 3.710 2.502 2.268 2.992 . 0 0 "[ . 1 . 2]" 1
1809 1 48 LYS HA 1 48 LYS QD . . 4.450 3.907 3.821 4.040 . 0 0 "[ . 1 . 2]" 1
1810 1 48 LYS QB 1 48 LYS QE . . 4.130 3.554 3.489 3.660 . 0 0 "[ . 1 . 2]" 1
1811 1 48 LYS QB 1 49 GLY H . . 3.970 3.887 3.829 3.948 . 0 0 "[ . 1 . 2]" 1
1812 1 48 LYS QE 1 48 LYS HG2 . . 3.180 2.481 2.251 2.939 . 0 0 "[ . 1 . 2]" 1
1813 1 48 LYS QE 1 48 LYS HG3 . . 3.370 2.408 2.219 2.696 . 0 0 "[ . 1 . 2]" 1
1814 1 48 LYS QD 1 49 GLY H . . 5.340 5.090 4.941 5.208 . 0 0 "[ . 1 . 2]" 1
1815 1 50 GLU H 1 50 GLU QG . . 4.190 4.116 4.059 4.175 . 0 0 "[ . 1 . 2]" 1
1816 1 50 GLU HA 1 50 GLU QG . . 3.280 2.362 2.181 2.767 . 0 0 "[ . 1 . 2]" 1
1817 1 50 GLU QG 1 51 ARG H . . 3.480 2.530 2.146 2.721 . 0 0 "[ . 1 . 2]" 1
1818 1 50 GLU QG 1 52 PHE QE . . 4.720 3.120 2.698 3.381 . 0 0 "[ . 1 . 2]" 1
1819 1 50 GLU QG 1 69 ALA H . . 4.650 4.057 3.736 4.319 . 0 0 "[ . 1 . 2]" 1
1820 1 50 GLU QG 1 69 ALA MB . . 3.340 3.013 2.598 3.261 . 0 0 "[ . 1 . 2]" 1
1821 1 52 PHE QD 1 67 SER QB . . 4.400 2.573 1.977 3.033 . 0 0 "[ . 1 . 2]" 1
1822 1 52 PHE QE 1 67 SER QB . . 4.150 2.379 1.950 2.872 . 0 0 "[ . 1 . 2]" 1
1823 1 54 ILE MG 1 57 ASN QB . . 3.180 2.238 2.103 2.792 . 0 0 "[ . 1 . 2]" 1
1824 1 54 ILE MG 1 63 TRP QB . . 3.330 2.734 2.626 2.833 . 0 0 "[ . 1 . 2]" 1
1825 1 54 ILE MD 1 63 TRP QB . . 3.400 2.838 2.636 2.970 . 0 0 "[ . 1 . 2]" 1
1826 1 55 ILE MD 1 66 ARG QD . . 3.950 3.614 3.448 3.912 . 0 0 "[ . 1 . 2]" 1
1827 1 57 ASN HA 1 63 TRP QB . . 4.630 3.091 2.768 3.292 . 0 0 "[ . 1 . 2]" 1
1828 1 57 ASN QB 1 58 THR H . . 4.090 4.038 3.881 4.051 . 0 0 "[ . 1 . 2]" 1
1829 1 57 ASN QB 1 63 TRP HA . . 5.220 4.722 4.352 5.221 0.001 12 0 "[ . 1 . 2]" 1
1830 1 57 ASN QB 1 63 TRP HD1 . . 4.460 3.894 3.540 4.404 . 0 0 "[ . 1 . 2]" 1
1831 1 57 ASN QB 1 63 TRP HE1 . . 3.740 3.482 3.156 3.744 0.004 15 0 "[ . 1 . 2]" 1
1832 1 57 ASN QB 1 63 TRP HZ2 . . 5.000 4.003 3.744 4.238 . 0 0 "[ . 1 . 2]" 1
1833 1 58 THR H 1 59 GLU QG . . 4.530 4.251 3.813 4.518 . 0 0 "[ . 1 . 2]" 1
1834 1 58 THR MG 1 59 GLU QG . . 4.100 2.068 1.935 2.349 . 0 0 "[ . 1 . 2]" 1
1835 1 59 GLU H 1 59 GLU QB . . 3.020 2.517 2.339 2.947 . 0 0 "[ . 1 . 2]" 1
1836 1 59 GLU H 1 59 GLU QG . . 2.980 2.467 1.889 2.748 . 0 0 "[ . 1 . 2]" 1
1837 1 59 GLU HA 1 59 GLU QG . . 3.380 2.580 2.277 3.337 . 0 0 "[ . 1 . 2]" 1
1838 1 59 GLU HA 1 60 GLY QA . . 4.570 3.938 3.901 3.959 . 0 0 "[ . 1 . 2]" 1
1839 1 59 GLU QB 1 60 GLY H . . 3.730 3.554 3.278 3.679 . 0 0 "[ . 1 . 2]" 1
1840 1 59 GLU QB 1 62 TRP H . . 4.000 2.765 2.448 3.407 . 0 0 "[ . 1 . 2]" 1
1841 1 59 GLU QG 1 60 GLY H . . 4.620 4.329 4.222 4.563 . 0 0 "[ . 1 . 2]" 1
1842 1 60 GLY QA 1 61 ASP HA . . 4.880 4.059 4.041 4.096 . 0 0 "[ . 1 . 2]" 1
1843 1 60 GLY QA 1 62 TRP H . . 4.690 4.243 4.018 4.434 . 0 0 "[ . 1 . 2]" 1
1844 1 60 GLY QA 1 63 TRP HD1 . . 4.600 3.721 3.612 3.823 . 0 0 "[ . 1 . 2]" 1
1845 1 61 ASP H 1 61 ASP QB . . 3.390 2.608 2.471 2.791 . 0 0 "[ . 1 . 2]" 1
1846 1 61 ASP QB 1 62 TRP H . . 3.560 2.351 2.127 3.227 . 0 0 "[ . 1 . 2]" 1
1847 1 61 ASP QB 1 62 TRP HD1 . . 3.670 1.875 1.810 1.985 . 0 0 "[ . 1 . 2]" 1
1848 1 61 ASP QB 1 62 TRP HE1 . . 3.790 3.004 2.748 3.368 . 0 0 "[ . 1 . 2]" 1
1849 1 63 TRP H 1 63 TRP QB . . 3.450 2.440 2.393 2.480 . 0 0 "[ . 1 . 2]" 1
1850 1 63 TRP H 1 76 ILE QG . . 3.920 3.217 3.086 3.375 . 0 0 "[ . 1 . 2]" 1
1851 1 63 TRP QB 1 64 GLU H . . 3.660 2.866 2.678 3.034 . 0 0 "[ . 1 . 2]" 1
1852 1 63 TRP QB 1 65 ALA H . . 5.340 4.819 4.651 5.007 . 0 0 "[ . 1 . 2]" 1
1853 1 63 TRP QB 1 65 ALA MB . . 4.900 3.774 3.662 3.861 . 0 0 "[ . 1 . 2]" 1
1854 1 63 TRP QB 1 76 ILE QG . . 3.630 2.792 2.706 2.896 . 0 0 "[ . 1 . 2]" 1
1855 1 63 TRP QB 1 76 ILE MD . . 4.240 3.610 3.444 3.749 . 0 0 "[ . 1 . 2]" 1
1856 1 63 TRP HE3 1 76 ILE QG . . 4.770 4.064 3.871 4.243 . 0 0 "[ . 1 . 2]" 1
1857 1 63 TRP HE1 1 78 SER QB . . 4.020 4.006 3.918 4.025 0.005 16 0 "[ . 1 . 2]" 1
1858 1 63 TRP HZ2 1 78 SER QB . . 4.330 3.385 3.249 3.585 . 0 0 "[ . 1 . 2]" 1
1859 1 65 ALA H 1 76 ILE QG . . 5.100 3.497 3.126 3.742 . 0 0 "[ . 1 . 2]" 1
1860 1 65 ALA MB 1 76 ILE QG . . 3.310 2.658 2.334 2.929 . 0 0 "[ . 1 . 2]" 1
1861 1 66 ARG HA 1 66 ARG QD . . 4.630 4.173 4.094 4.252 . 0 0 "[ . 1 . 2]" 1
1862 1 66 ARG HB3 1 66 ARG QD . . 3.310 2.362 2.144 2.881 . 0 0 "[ . 1 . 2]" 1
1863 1 66 ARG HG2 1 67 SER QB . . 4.750 4.324 4.092 4.761 0.011 16 0 "[ . 1 . 2]" 1
1864 1 66 ARG QD 1 67 SER H . . 5.340 5.136 4.968 5.321 . 0 0 "[ . 1 . 2]" 1
1865 1 66 ARG QD 1 71 GLY HA2 . . 4.210 4.120 3.913 4.218 0.008 3 0 "[ . 1 . 2]" 1
1866 1 66 ARG QD 1 73 SER HB3 . . 4.520 4.179 3.629 4.518 . 0 0 "[ . 1 . 2]" 1
1867 1 67 SER H 1 67 SER QB . . 3.160 2.577 2.195 2.866 . 0 0 "[ . 1 . 2]" 1
1868 1 67 SER QB 1 69 ALA H . . 4.640 3.571 2.987 4.196 . 0 0 "[ . 1 . 2]" 1
1869 1 67 SER QB 1 70 THR H . . 3.840 3.056 2.655 3.649 . 0 0 "[ . 1 . 2]" 1
1870 1 67 SER QB 1 70 THR MG . . 4.500 3.816 3.441 4.332 . 0 0 "[ . 1 . 2]" 1
1871 1 67 SER QB 1 71 GLY H . . 4.500 2.132 1.874 2.957 . 0 0 "[ . 1 . 2]" 1
1872 1 67 SER QB 1 72 LYS H . . 3.430 1.981 1.872 3.391 . 0 0 "[ . 1 . 2]" 1
1873 1 70 THR HB 1 72 LYS QG . . 4.190 2.650 2.123 3.235 . 0 0 "[ . 1 . 2]" 1
1874 1 70 THR HB 1 72 LYS QD . . 4.810 4.363 3.217 4.809 . 0 0 "[ . 1 . 2]" 1
1875 1 70 THR HB 1 72 LYS QE . . 3.880 3.017 2.705 3.898 0.018 8 0 "[ . 1 . 2]" 1
1876 1 70 THR MG 1 72 LYS QD . . 4.830 4.280 3.209 4.473 . 0 0 "[ . 1 . 2]" 1
1877 1 70 THR MG 1 72 LYS QE . . 4.720 2.709 2.357 4.061 . 0 0 "[ . 1 . 2]" 1
1878 1 72 LYS H 1 72 LYS QB . . 3.160 2.405 2.276 2.536 . 0 0 "[ . 1 . 2]" 1
1879 1 72 LYS H 1 72 LYS QG . . 3.120 2.402 2.156 2.607 . 0 0 "[ . 1 . 2]" 1
1880 1 72 LYS H 1 72 LYS QD . . 5.300 4.222 3.892 4.385 . 0 0 "[ . 1 . 2]" 1
1881 1 72 LYS H 1 72 LYS QE . . 5.340 4.155 3.539 5.161 . 0 0 "[ . 1 . 2]" 1
1882 1 72 LYS HA 1 72 LYS QD . . 3.990 3.865 3.768 3.984 . 0 0 "[ . 1 . 2]" 1
1883 1 72 LYS QB 1 72 LYS QE . . 4.030 3.087 2.334 3.585 . 0 0 "[ . 1 . 2]" 1
1884 1 72 LYS QB 1 73 SER H . . 3.170 2.155 2.108 2.308 . 0 0 "[ . 1 . 2]" 1
1885 1 72 LYS QD 1 72 LYS QG . . 2.300 2.055 2.028 2.092 . 0 0 "[ . 1 . 2]" 1
1886 1 72 LYS QE 1 72 LYS QG . . 3.280 2.132 2.038 2.346 . 0 0 "[ . 1 . 2]" 1
1887 1 72 LYS QG 1 73 SER H . . 4.040 3.799 3.605 3.989 . 0 0 "[ . 1 . 2]" 1
1888 1 72 LYS QD 1 73 SER H . . 4.120 4.096 4.017 4.154 0.034 8 0 "[ . 1 . 2]" 1
1889 1 75 TYR HA 1 76 ILE QG . . 4.390 3.683 3.618 3.767 . 0 0 "[ . 1 . 2]" 1
1890 1 76 ILE H 1 76 ILE QG . . 3.310 2.094 1.971 2.188 . 0 0 "[ . 1 . 2]" 1
1891 1 76 ILE QG 1 76 ILE MG . . 3.170 2.200 2.139 2.281 . 0 0 "[ . 1 . 2]" 1
1892 1 76 ILE QG 1 77 PRO HD2 . . 4.980 4.127 4.029 4.196 . 0 0 "[ . 1 . 2]" 1
1893 1 76 ILE QG 1 81 VAL MG1 . . 4.640 3.525 3.234 3.777 . 0 0 "[ . 1 . 2]" 1
1894 1 76 ILE QG 1 81 VAL MG2 . . 4.230 2.824 2.583 3.015 . 0 0 "[ . 1 . 2]" 1
1895 1 77 PRO HB2 1 79 ASN QB . . 5.210 2.972 2.723 3.950 . 0 0 "[ . 1 . 2]" 1
1896 1 77 PRO HB2 1 80 TYR QB . . 4.720 3.211 3.107 3.318 . 0 0 "[ . 1 . 2]" 1
1897 1 77 PRO HG2 1 80 TYR QB . . 3.930 1.977 1.971 1.984 . 0 0 "[ . 1 . 2]" 1
1898 1 77 PRO HG3 1 80 TYR QB . . 4.190 3.473 3.449 3.559 . 0 0 "[ . 1 . 2]" 1
1899 1 78 SER H 1 78 SER QB . . 3.460 2.385 2.245 2.502 . 0 0 "[ . 1 . 2]" 1
1900 1 79 ASN QB 1 80 TYR QD . . 4.880 2.632 2.505 2.867 . 0 0 "[ . 1 . 2]" 1
1901 1 80 TYR H 1 80 TYR QB . . 3.100 2.376 2.266 2.404 . 0 0 "[ . 1 . 2]" 1
1902 1 80 TYR QB 1 81 VAL H . . 3.950 2.816 2.758 2.874 . 0 0 "[ . 1 . 2]" 1
1903 1 80 TYR QB 1 81 VAL MG1 . . 3.790 2.887 2.801 3.043 . 0 0 "[ . 1 . 2]" 1
1904 1 84 ALA MB 1 85 ASP QB . . 4.800 4.320 3.979 4.667 . 0 0 "[ . 1 . 2]" 1
1905 1 85 ASP H 1 85 ASP QB . . 3.550 2.462 2.244 2.718 . 0 0 "[ . 1 . 2]" 1
1906 1 85 ASP QB 1 86 SER H . . 4.020 2.624 2.544 3.379 . 0 0 "[ . 1 . 2]" 1
1907 1 87 ILE HA 1 88 GLN QG . . 4.030 3.710 3.668 3.763 . 0 0 "[ . 1 . 2]" 1
1908 1 87 ILE HB 1 90 GLU QG . . 4.520 3.463 3.145 3.592 . 0 0 "[ . 1 . 2]" 1
1909 1 87 ILE MG 1 88 GLN QG . . 4.540 4.009 3.902 4.045 . 0 0 "[ . 1 . 2]" 1
1910 1 87 ILE MG 1 90 GLU QG . . 4.180 3.521 3.406 3.599 . 0 0 "[ . 1 . 2]" 1
1911 1 88 GLN H 1 88 GLN QG . . 3.380 1.916 1.878 2.055 . 0 0 "[ . 1 . 2]" 1
1912 1 88 GLN HA 1 88 GLN QG . . 3.700 3.339 3.330 3.405 . 0 0 "[ . 1 . 2]" 1
1913 1 88 GLN HA 1 88 GLN QE . . 4.840 4.514 4.210 4.783 . 0 0 "[ . 1 . 2]" 1
1914 1 88 GLN HB2 1 88 GLN QG . . 2.610 2.324 2.232 2.476 . 0 0 "[ . 1 . 2]" 1
1915 1 88 GLN QG 1 89 ALA H . . 4.150 2.482 2.245 2.671 . 0 0 "[ . 1 . 2]" 1
1916 1 88 GLN QG 1 89 ALA MB . . 4.120 2.747 2.602 3.112 . 0 0 "[ . 1 . 2]" 1
1917 1 89 ALA MB 1 90 GLU QG . . 4.640 4.593 4.579 4.623 . 0 0 "[ . 1 . 2]" 1
1918 1 90 GLU H 1 90 GLU QG . . 3.010 1.852 1.841 1.856 . 0 0 "[ . 1 . 2]" 1
1919 1 90 GLU HA 1 90 GLU QG . . 3.350 3.301 3.293 3.322 . 0 0 "[ . 1 . 2]" 1
1920 1 90 GLU QG 1 91 GLU H . . 3.570 2.514 2.461 2.662 . 0 0 "[ . 1 . 2]" 1
1921 1 90 GLU QG 1 92 TRP H . . 5.340 4.760 4.675 4.971 . 0 0 "[ . 1 . 2]" 1
1922 1 91 GLU H 1 91 GLU QG . . 3.550 2.189 2.008 2.459 . 0 0 "[ . 1 . 2]" 1
1923 1 91 GLU HB2 1 91 GLU QG . . 2.590 2.346 2.141 2.470 . 0 0 "[ . 1 . 2]" 1
1924 1 91 GLU QG 1 92 TRP H . . 4.310 4.217 4.139 4.352 0.042 14 0 "[ . 1 . 2]" 1
1925 1 93 TYR H 1 96 LYS QB . . 5.100 4.719 4.296 5.092 . 0 0 "[ . 1 . 2]" 1
1926 1 93 TYR HA 1 96 LYS QB . . 4.720 3.246 2.145 4.236 . 0 0 "[ . 1 . 2]" 1
1927 1 96 LYS H 1 96 LYS QB . . 3.430 2.288 2.190 2.414 . 0 0 "[ . 1 . 2]" 1
1928 1 96 LYS H 1 96 LYS QG . . 4.500 3.807 2.509 4.118 . 0 0 "[ . 1 . 2]" 1
1929 1 96 LYS HA 1 96 LYS QG . . 3.480 2.511 2.142 2.933 . 0 0 "[ . 1 . 2]" 1
1930 1 96 LYS HA 1 96 LYS QD . . 4.740 3.142 2.022 4.205 . 0 0 "[ . 1 . 2]" 1
1931 1 96 LYS QG 1 97 MET H . . 4.810 3.489 2.031 4.300 . 0 0 "[ . 1 . 2]" 1
1932 1 97 MET H 1 97 MET QB . . 3.250 2.356 2.122 3.200 . 0 0 "[ . 1 . 2]" 1
1933 1 97 MET H 1 97 MET QG . . 4.070 3.328 2.250 4.043 . 0 0 "[ . 1 . 2]" 1
1934 1 97 MET ME 1 97 MET QG . . 3.350 2.246 1.971 2.465 . 0 0 "[ . 1 . 2]" 1
1935 1 97 MET QG 1 98 GLY H . . 4.730 3.214 2.042 4.322 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 132.735
_Distance_constraint_stats_list.Viol_max 0.537
_Distance_constraint_stats_list.Viol_rms 0.1755
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1659
_Distance_constraint_stats_list.Viol_average_violations_only 0.3318
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 6.637 0.537 16 1 "[ . 1 .+ 2]"
1 79 ASN 6.637 0.537 16 1 "[ . 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 57 ASN H 1 57 ASN HA . . 3.000 2.946 2.944 2.948 . 0 0 "[ . 1 . 2]" 2
2 1 78 SER HA 1 79 ASN H . . 3.000 3.332 3.275 3.537 0.537 16 1 "[ . 1 .+ 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 95 GLY 0.000 0.000 . 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 95 GLY H 1 95 GLY HA2 . . 3.000 2.913 2.886 2.948 . 0 0 "[ . 1 . 2]" 3
2 1 95 GLY H 1 95 GLY HA3 . . 3.000 2.350 2.320 2.413 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 119
_Distance_constraint_stats_list.Viol_total 577.283
_Distance_constraint_stats_list.Viol_max 0.342
_Distance_constraint_stats_list.Viol_rms 0.0701
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2405
_Distance_constraint_stats_list.Viol_average_violations_only 0.2426
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 53 GLN 8.237 0.228 13 0 "[ . 1 . 2]"
1 66 ARG 8.237 0.228 13 0 "[ . 1 . 2]"
1 91 GLU 10.920 0.315 18 0 "[ . 1 . 2]"
1 92 TRP 9.708 0.342 19 0 "[ . 1 . 2]"
1 95 GLY 10.920 0.315 18 0 "[ . 1 . 2]"
1 96 LYS 9.708 0.342 19 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 53 GLN O 1 66 ARG H . . 1.800 2.005 1.981 2.017 0.217 20 0 "[ . 1 . 2]" 4
2 1 53 GLN O 1 66 ARG N . . 2.700 2.907 2.888 2.928 0.228 13 0 "[ . 1 . 2]" 4
3 1 91 GLU O 1 95 GLY H . . 1.800 2.045 2.032 2.059 0.259 20 0 "[ . 1 . 2]" 4
4 1 91 GLU O 1 95 GLY N . . 2.700 3.001 2.972 3.015 0.315 18 0 "[ . 1 . 2]" 4
5 1 92 TRP O 1 96 LYS H . . 1.800 2.116 2.095 2.142 0.342 19 0 "[ . 1 . 2]" 4
6 1 92 TRP O 1 96 LYS N . . 2.700 2.869 2.696 3.023 0.323 16 0 "[ . 1 . 2]" 4
stop_
save_
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