NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
552876 |
2m0n   |
18812 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0n
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 1059
_Distance_constraint_stats_list.Viol_count 1107
_Distance_constraint_stats_list.Viol_total 258.125
_Distance_constraint_stats_list.Viol_max 0.933
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0117
_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 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.014 0.011 18 0 "[ . 1 . 2]"
1 19 PRO 0.102 0.012 17 0 "[ . 1 . 2]"
1 21 SER 0.024 0.014 3 0 "[ . 1 . 2]"
1 22 PRO 0.066 0.014 3 0 "[ . 1 . 2]"
1 23 GLU 0.024 0.014 2 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.138 0.044 17 0 "[ . 1 . 2]"
1 26 PRO 0.129 0.044 17 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.185 0.109 16 0 "[ . 1 . 2]"
1 29 ASP 0.210 0.109 16 0 "[ . 1 . 2]"
1 30 ARG 0.157 0.081 15 0 "[ . 1 . 2]"
1 31 PHE 0.182 0.081 15 0 "[ . 1 . 2]"
1 32 PRO 0.117 0.014 15 0 "[ . 1 . 2]"
1 33 LEU 0.260 0.064 1 0 "[ . 1 . 2]"
1 34 LEU 0.268 0.064 1 0 "[ . 1 . 2]"
1 35 ALA 0.139 0.023 8 0 "[ . 1 . 2]"
1 36 LEU 0.067 0.023 8 0 "[ . 1 . 2]"
1 37 LEU 0.051 0.024 16 0 "[ . 1 . 2]"
1 38 ARG 0.143 0.024 17 0 "[ . 1 . 2]"
1 39 ARG 0.702 0.061 18 0 "[ . 1 . 2]"
1 40 THR 0.727 0.059 13 0 "[ . 1 . 2]"
1 41 LEU 0.306 0.026 10 0 "[ . 1 . 2]"
1 42 THR 0.031 0.006 8 0 "[ . 1 . 2]"
1 43 GLU 0.183 0.022 1 0 "[ . 1 . 2]"
1 44 GLU 0.293 0.021 18 0 "[ . 1 . 2]"
1 45 GLN 0.391 0.018 4 0 "[ . 1 . 2]"
1 46 VAL 0.192 0.023 5 0 "[ . 1 . 2]"
1 47 GLN 0.561 0.025 3 0 "[ . 1 . 2]"
1 48 GLU 0.588 0.025 3 0 "[ . 1 . 2]"
1 49 VAL 0.290 0.023 5 0 "[ . 1 . 2]"
1 50 VAL 1.394 0.040 13 0 "[ . 1 . 2]"
1 51 ALA 0.057 0.011 1 0 "[ . 1 . 2]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.559 0.058 13 0 "[ . 1 . 2]"
1 54 THR 0.081 0.058 13 0 "[ . 1 . 2]"
1 55 ASP 0.002 0.002 16 0 "[ . 1 . 2]"
1 56 PRO 0.076 0.018 10 0 "[ . 1 . 2]"
1 57 GLU 0.165 0.081 12 0 "[ . 1 . 2]"
1 58 SER 0.024 0.010 11 0 "[ . 1 . 2]"
1 59 SER 0.055 0.012 20 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.052 0.010 5 0 "[ . 1 . 2]"
1 62 ILE 0.566 0.470 18 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.063 0.010 11 0 "[ . 1 . 2]"
1 66 VAL 0.032 0.009 11 0 "[ . 1 . 2]"
1 67 SER 0.001 0.000 10 0 "[ . 1 . 2]"
1 69 ASP 0.012 0.006 11 0 "[ . 1 . 2]"
1 70 GLU 0.076 0.034 18 0 "[ . 1 . 2]"
1 71 ILE 0.705 0.033 6 0 "[ . 1 . 2]"
1 72 GLU 0.325 0.025 17 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 2.754 0.933 18 2 "[ .- 1 . + 2]"
1 75 ILE 0.243 0.036 13 0 "[ . 1 . 2]"
1 76 ALA 0.069 0.008 13 0 "[ . 1 . 2]"
1 77 ASP 0.109 0.013 6 0 "[ . 1 . 2]"
1 78 VAL 0.256 0.013 6 0 "[ . 1 . 2]"
1 79 THR 0.323 0.019 1 0 "[ . 1 . 2]"
1 80 LYS 0.195 0.015 5 0 "[ . 1 . 2]"
1 81 ASP 0.038 0.012 12 0 "[ . 1 . 2]"
1 82 GLU 0.149 0.017 20 0 "[ . 1 . 2]"
1 83 PRO 0.231 0.017 20 0 "[ . 1 . 2]"
1 84 THR 0.048 0.007 15 0 "[ . 1 . 2]"
1 85 ALA 0.028 0.008 15 0 "[ . 1 . 2]"
1 86 GLN 0.054 0.007 10 0 "[ . 1 . 2]"
1 87 ASP 0.148 0.021 17 0 "[ . 1 . 2]"
1 88 ILE 0.395 0.036 13 0 "[ . 1 . 2]"
1 89 SER 0.035 0.015 13 0 "[ . 1 . 2]"
1 90 ARG 0.062 0.021 17 0 "[ . 1 . 2]"
1 91 VAL 0.398 0.018 20 0 "[ . 1 . 2]"
1 92 ALA 0.111 0.011 17 0 "[ . 1 . 2]"
1 93 SER 0.188 0.017 17 0 "[ . 1 . 2]"
1 94 ARG 1.334 0.043 6 0 "[ . 1 . 2]"
1 95 LEU 1.175 0.043 6 0 "[ . 1 . 2]"
1 96 ALA 0.017 0.009 15 0 "[ . 1 . 2]"
1 97 ALA 0.042 0.012 7 0 "[ . 1 . 2]"
1 98 GLY 0.170 0.020 10 0 "[ . 1 . 2]"
1 100 TRP 0.177 0.020 10 0 "[ . 1 . 2]"
1 103 ALA 0.026 0.010 4 0 "[ . 1 . 2]"
1 104 GLY 0.101 0.027 20 0 "[ . 1 . 2]"
1 105 VAL 0.940 0.053 16 0 "[ . 1 . 2]"
1 106 ASP 0.089 0.032 4 0 "[ . 1 . 2]"
1 107 SER 0.017 0.010 1 0 "[ . 1 . 2]"
1 108 THR 0.009 0.009 4 0 "[ . 1 . 2]"
1 109 ALA 0.294 0.027 17 0 "[ . 1 . 2]"
1 110 LEU 0.576 0.029 9 0 "[ . 1 . 2]"
1 111 ASN 0.242 0.029 9 0 "[ . 1 . 2]"
1 112 ALA 0.116 0.013 4 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 18 GLY HA3 1 19 PRO HD2 3.510 . 3.580 2.462 1.960 3.246 . 0 0 "[ . 1 . 2]" 1
2 1 104 GLY HA2 1 105 VAL MG1 5.500 . 5.610 4.788 4.305 5.609 . 0 0 "[ . 1 . 2]" 1
3 1 104 GLY HA2 1 105 VAL MG2 5.500 . 5.610 4.467 3.796 5.637 0.027 20 0 "[ . 1 . 2]" 1
4 1 104 GLY HA3 1 105 VAL MG1 5.500 . 5.610 4.582 3.458 5.633 0.023 13 0 "[ . 1 . 2]" 1
5 1 104 GLY HA3 1 105 VAL MG2 5.500 . 5.610 4.861 4.081 5.617 0.007 8 0 "[ . 1 . 2]" 1
6 1 23 GLU HB3 1 24 GLY H 4.890 . 4.990 3.642 2.751 4.308 . 0 0 "[ . 1 . 2]" 1
7 1 23 GLU HB2 1 24 GLY H 4.890 . 4.990 3.748 2.563 4.491 . 0 0 "[ . 1 . 2]" 1
8 1 22 PRO HB3 1 23 GLU H 4.600 . 4.690 4.347 2.914 4.690 0.000 19 0 "[ . 1 . 2]" 1
9 1 22 PRO HB2 1 23 GLU H 4.600 . 4.690 4.099 2.987 4.354 . 0 0 "[ . 1 . 2]" 1
10 1 31 PHE HB2 1 32 PRO HD3 4.920 . 5.020 4.736 4.294 5.021 0.001 3 0 "[ . 1 . 2]" 1
11 1 31 PHE HB3 1 32 PRO HD3 4.920 . 5.020 3.783 2.996 4.927 . 0 0 "[ . 1 . 2]" 1
12 1 31 PHE HB2 1 32 PRO HD2 4.920 . 5.020 3.994 3.558 4.980 . 0 0 "[ . 1 . 2]" 1
13 1 31 PHE HB3 1 32 PRO HD2 4.920 . 5.020 2.713 2.026 4.920 . 0 0 "[ . 1 . 2]" 1
14 1 32 PRO HD2 1 33 LEU H 4.500 . 4.590 2.985 2.443 3.566 . 0 0 "[ . 1 . 2]" 1
15 1 29 ASP HB2 1 30 ARG H 5.140 . 5.240 3.555 2.515 4.158 . 0 0 "[ . 1 . 2]" 1
16 1 29 ASP HB3 1 30 ARG H 5.140 . 5.240 3.640 2.130 4.480 . 0 0 "[ . 1 . 2]" 1
17 1 28 THR HA 1 28 THR MG 2.690 . 2.740 2.325 2.252 2.377 . 0 0 "[ . 1 . 2]" 1
18 1 28 THR HB 1 29 ASP H 4.240 . 4.320 3.263 1.874 4.331 0.011 15 0 "[ . 1 . 2]" 1
19 1 25 VAL HA 1 26 PRO HD2 3.230 . 3.290 2.571 2.221 2.954 . 0 0 "[ . 1 . 2]" 1
20 1 25 VAL HA 1 26 PRO HD3 3.230 . 3.290 2.125 1.817 2.405 . 0 0 "[ . 1 . 2]" 1
21 1 30 ARG HA 1 30 ARG HG3 4.220 . 4.300 3.152 2.439 4.273 . 0 0 "[ . 1 . 2]" 1
22 1 30 ARG HA 1 30 ARG HG2 4.220 . 4.300 3.175 2.471 3.745 . 0 0 "[ . 1 . 2]" 1
23 1 30 ARG HA 1 30 ARG HD2 5.400 . 5.510 3.846 2.830 4.938 . 0 0 "[ . 1 . 2]" 1
24 1 30 ARG HA 1 30 ARG HD3 5.400 . 5.510 3.851 1.819 5.517 0.007 17 0 "[ . 1 . 2]" 1
25 1 31 PHE HB2 1 33 LEU H 4.860 . 4.960 3.400 2.830 4.380 . 0 0 "[ . 1 . 2]" 1
26 1 31 PHE HB3 1 33 LEU H 4.860 . 4.960 3.033 2.384 4.653 . 0 0 "[ . 1 . 2]" 1
27 1 33 LEU HA 1 33 LEU HG 3.740 . 3.810 3.412 2.523 3.797 . 0 0 "[ . 1 . 2]" 1
28 1 34 LEU HA 1 34 LEU MD1 4.300 . 4.390 2.809 1.953 4.145 . 0 0 "[ . 1 . 2]" 1
29 1 97 ALA MB 1 98 GLY H 3.620 . 3.690 2.992 2.775 3.115 . 0 0 "[ . 1 . 2]" 1
30 1 94 ARG HD2 1 97 ALA MB 5.500 . 5.610 4.449 3.562 5.414 . 0 0 "[ . 1 . 2]" 1
31 1 94 ARG HD3 1 97 ALA MB 5.500 . 5.610 4.779 4.000 5.621 0.011 14 0 "[ . 1 . 2]" 1
32 1 38 ARG HA 1 38 ARG HD2 4.510 . 4.600 3.137 2.051 4.177 . 0 0 "[ . 1 . 2]" 1
33 1 38 ARG HA 1 38 ARG HD3 4.510 . 4.600 2.551 2.002 4.608 0.008 12 0 "[ . 1 . 2]" 1
34 1 38 ARG HD2 1 39 ARG H 5.130 . 5.230 4.421 3.309 5.235 0.005 18 0 "[ . 1 . 2]" 1
35 1 38 ARG HD3 1 39 ARG H 5.130 . 5.230 4.166 3.661 5.238 0.008 12 0 "[ . 1 . 2]" 1
36 1 39 ARG HA 1 39 ARG HD2 5.500 . 5.610 4.586 4.161 5.525 . 0 0 "[ . 1 . 2]" 1
37 1 39 ARG HA 1 39 ARG HD3 5.500 . 5.610 4.632 4.089 4.926 . 0 0 "[ . 1 . 2]" 1
38 1 39 ARG HA 1 40 THR MG 5.200 . 5.300 4.735 3.829 5.096 . 0 0 "[ . 1 . 2]" 1
39 1 39 ARG HG2 1 40 THR H 4.870 . 4.970 4.614 3.322 4.996 0.026 15 0 "[ . 1 . 2]" 1
40 1 39 ARG H 1 39 ARG HD2 5.500 . 5.610 4.966 4.301 5.671 0.061 18 0 "[ . 1 . 2]" 1
41 1 39 ARG H 1 39 ARG HD3 5.500 . 5.610 4.754 4.144 5.400 . 0 0 "[ . 1 . 2]" 1
42 1 40 THR H 1 40 THR MG 3.600 . 3.670 2.524 1.882 3.682 0.012 6 0 "[ . 1 . 2]" 1
43 1 38 ARG HA 1 40 THR H 4.710 . 4.800 4.214 2.856 4.822 0.022 15 0 "[ . 1 . 2]" 1
44 1 41 LEU HB2 1 42 THR H 5.500 . 5.610 4.586 4.484 4.689 . 0 0 "[ . 1 . 2]" 1
45 1 41 LEU HG 1 49 VAL H 5.500 . 5.610 5.509 5.181 5.622 0.012 11 0 "[ . 1 . 2]" 1
46 1 41 LEU HG 1 46 VAL HA 4.400 . 4.490 4.074 3.395 4.343 . 0 0 "[ . 1 . 2]" 1
47 1 41 LEU HG 1 49 VAL HB 5.500 . 5.610 5.540 5.196 5.620 0.010 12 0 "[ . 1 . 2]" 1
48 1 41 LEU MD1 1 79 THR H 5.140 . 5.240 4.874 4.711 5.197 . 0 0 "[ . 1 . 2]" 1
49 1 41 LEU HA 1 41 LEU MD1 4.000 . 4.080 2.416 2.022 2.646 . 0 0 "[ . 1 . 2]" 1
50 1 41 LEU MD1 1 78 VAL HA 5.230 . 5.330 4.463 4.289 4.926 . 0 0 "[ . 1 . 2]" 1
51 1 41 LEU MD1 1 79 THR HB 5.500 . 5.610 4.695 4.347 5.319 . 0 0 "[ . 1 . 2]" 1
52 1 41 LEU MD2 1 46 VAL HA 4.800 . 4.900 2.730 2.161 3.245 . 0 0 "[ . 1 . 2]" 1
53 1 41 LEU MD1 1 78 VAL HB 3.860 . 3.940 1.909 1.795 2.485 0.005 2 0 "[ . 1 . 2]" 1
54 1 41 LEU MD1 1 45 GLN HB3 3.860 . 3.940 3.516 2.595 3.939 . 0 0 "[ . 1 . 2]" 1
55 1 41 LEU MD2 1 78 VAL MG2 3.490 . 3.560 2.878 2.571 3.473 . 0 0 "[ . 1 . 2]" 1
56 1 42 THR MG 1 44 GLU H 3.620 . 3.690 2.135 1.875 2.495 . 0 0 "[ . 1 . 2]" 1
57 1 41 LEU HA 1 42 THR MG 4.070 . 4.150 3.764 3.611 4.076 . 0 0 "[ . 1 . 2]" 1
58 1 43 GLU HA 1 112 ALA H 5.500 . 5.610 5.268 4.730 5.623 0.013 4 0 "[ . 1 . 2]" 1
59 1 43 GLU HA 1 43 GLU HG2 3.880 . 3.960 3.489 2.436 3.809 . 0 0 "[ . 1 . 2]" 1
60 1 43 GLU HA 1 43 GLU HG3 3.880 . 3.960 3.084 2.339 3.753 . 0 0 "[ . 1 . 2]" 1
61 1 43 GLU HA 1 46 VAL MG2 4.370 . 4.460 2.680 2.358 3.143 . 0 0 "[ . 1 . 2]" 1
62 1 43 GLU HB3 1 112 ALA H 4.350 . 4.440 2.952 1.911 3.756 . 0 0 "[ . 1 . 2]" 1
63 1 43 GLU HG3 1 112 ALA H 4.360 . 4.450 3.304 1.832 4.455 0.005 13 0 "[ . 1 . 2]" 1
64 1 43 GLU HG2 1 112 ALA H 4.360 . 4.450 3.062 1.874 4.453 0.003 7 0 "[ . 1 . 2]" 1
65 1 44 GLU HA 1 47 GLN H 4.380 . 4.470 3.629 3.249 3.921 . 0 0 "[ . 1 . 2]" 1
66 1 44 GLU HA 1 44 GLU HG2 3.630 . 3.700 2.839 2.535 3.683 . 0 0 "[ . 1 . 2]" 1
67 1 43 GLU HB2 1 112 ALA H 4.350 . 4.440 3.547 2.459 4.446 0.006 5 0 "[ . 1 . 2]" 1
68 1 44 GLU H 1 44 GLU HB2 4.170 . 4.250 2.598 2.493 2.700 . 0 0 "[ . 1 . 2]" 1
69 1 44 GLU HA 1 44 GLU HG3 3.630 . 3.700 3.018 2.510 3.244 . 0 0 "[ . 1 . 2]" 1
70 1 44 GLU H 1 45 GLN HA 5.460 . 5.570 5.304 5.196 5.421 . 0 0 "[ . 1 . 2]" 1
71 1 45 GLN HA 1 48 GLU HG2 3.980 . 4.060 3.496 2.534 3.874 . 0 0 "[ . 1 . 2]" 1
72 1 45 GLN HA 1 48 GLU HB3 3.360 . 3.430 2.274 1.931 3.020 . 0 0 "[ . 1 . 2]" 1
73 1 45 GLN HA 1 78 VAL MG1 4.340 . 4.430 3.684 3.150 4.074 . 0 0 "[ . 1 . 2]" 1
74 1 45 GLN HG2 1 78 VAL MG1 4.530 . 4.620 4.080 3.049 4.583 . 0 0 "[ . 1 . 2]" 1
75 1 42 THR MG 1 45 GLN HG3 4.820 . 4.920 2.369 1.796 2.954 0.004 4 0 "[ . 1 . 2]" 1
76 1 42 THR MG 1 45 GLN HG2 4.820 . 4.920 2.313 1.798 3.528 0.002 2 0 "[ . 1 . 2]" 1
77 1 44 GLU H 1 45 GLN HG3 5.500 . 5.610 5.275 4.069 5.626 0.016 20 0 "[ . 1 . 2]" 1
78 1 44 GLU H 1 45 GLN HG2 5.500 . 5.610 4.540 3.965 5.628 0.018 4 0 "[ . 1 . 2]" 1
79 1 41 LEU HG 1 45 GLN HB3 3.600 . 3.670 2.448 2.081 2.798 . 0 0 "[ . 1 . 2]" 1
80 1 46 VAL HA 1 49 VAL HB 3.810 . 3.890 2.879 2.709 3.159 . 0 0 "[ . 1 . 2]" 1
81 1 46 VAL HA 1 46 VAL MG2 3.170 . 3.230 2.382 2.221 2.448 . 0 0 "[ . 1 . 2]" 1
82 1 41 LEU HB3 1 46 VAL HA 4.760 . 4.860 3.741 3.192 4.655 . 0 0 "[ . 1 . 2]" 1
83 1 46 VAL HA 1 46 VAL MG1 3.170 . 3.230 2.457 2.387 2.683 . 0 0 "[ . 1 . 2]" 1
84 1 43 GLU HA 1 46 VAL MG1 4.370 . 4.460 3.843 3.451 4.210 . 0 0 "[ . 1 . 2]" 1
85 1 46 VAL MG1 1 47 GLN H 4.000 . 4.080 3.268 2.538 3.601 . 0 0 "[ . 1 . 2]" 1
86 1 43 GLU HA 1 46 VAL HB 3.840 . 3.920 2.557 2.360 2.960 . 0 0 "[ . 1 . 2]" 1
87 1 47 GLN HA 1 50 VAL H 3.980 . 4.060 3.403 3.175 3.665 . 0 0 "[ . 1 . 2]" 1
88 1 47 GLN HA 1 47 GLN HG3 3.930 . 4.010 3.689 3.385 3.908 . 0 0 "[ . 1 . 2]" 1
89 1 47 GLN HA 1 47 GLN HG2 3.630 . 3.700 2.932 2.412 3.663 . 0 0 "[ . 1 . 2]" 1
90 1 47 GLN HA 1 50 VAL MG1 4.830 . 4.930 3.645 2.822 4.550 . 0 0 "[ . 1 . 2]" 1
91 1 47 GLN HB2 1 48 GLU H 4.120 . 4.200 2.833 2.548 3.908 . 0 0 "[ . 1 . 2]" 1
92 1 47 GLN HB3 1 48 GLU H 4.120 . 4.200 3.889 3.697 4.200 . 0 0 "[ . 1 . 2]" 1
93 1 47 GLN H 1 47 GLN HB3 3.670 . 3.740 3.508 2.662 3.615 . 0 0 "[ . 1 . 2]" 1
94 1 44 GLU HA 1 47 GLN HG3 4.190 . 4.270 3.170 2.466 3.731 . 0 0 "[ . 1 . 2]" 1
95 1 43 GLU HA 1 47 GLN HG2 5.200 . 5.300 4.257 3.436 4.918 . 0 0 "[ . 1 . 2]" 1
96 1 44 GLU HA 1 47 GLN HG2 5.500 . 5.610 3.774 2.127 5.238 . 0 0 "[ . 1 . 2]" 1
97 1 47 GLN H 1 47 GLN HG3 3.460 . 3.530 2.947 2.016 3.496 . 0 0 "[ . 1 . 2]" 1
98 1 47 GLN H 1 47 GLN HG2 3.540 . 3.610 2.269 1.826 2.867 . 0 0 "[ . 1 . 2]" 1
99 1 47 GLN HG2 1 48 GLU H 4.580 . 4.670 4.222 2.803 4.695 0.025 3 0 "[ . 1 . 2]" 1
100 1 46 VAL H 1 47 GLN HG3 5.430 . 5.540 5.078 4.164 5.556 0.016 2 0 "[ . 1 . 2]" 1
101 1 47 GLN HG3 1 48 GLU H 4.830 . 4.930 4.357 2.501 4.926 . 0 0 "[ . 1 . 2]" 1
102 1 46 VAL H 1 47 GLN HG2 5.190 . 5.290 4.488 3.845 5.296 0.006 12 0 "[ . 1 . 2]" 1
103 1 48 GLU HG3 1 49 VAL H 4.350 . 4.440 3.554 2.712 3.789 . 0 0 "[ . 1 . 2]" 1
104 1 48 GLU H 1 48 GLU HG3 4.440 . 4.530 4.381 4.038 4.478 . 0 0 "[ . 1 . 2]" 1
105 1 48 GLU H 1 48 GLU HG2 3.850 . 3.930 3.809 2.984 3.950 0.020 6 0 "[ . 1 . 2]" 1
106 1 48 GLU HA 1 48 GLU HG2 3.760 . 3.840 3.713 3.619 3.858 0.018 7 0 "[ . 1 . 2]" 1
107 1 48 GLU HA 1 48 GLU HG3 3.900 . 3.980 3.048 2.908 3.542 . 0 0 "[ . 1 . 2]" 1
108 1 45 GLN HA 1 48 GLU HG3 4.740 . 4.830 4.717 4.078 4.844 0.014 2 0 "[ . 1 . 2]" 1
109 1 48 GLU HG2 1 51 ALA MB 5.500 . 5.610 5.009 4.830 5.275 . 0 0 "[ . 1 . 2]" 1
110 1 48 GLU HG2 1 49 VAL MG1 5.250 . 5.350 4.864 4.680 5.171 . 0 0 "[ . 1 . 2]" 1
111 1 48 GLU HG2 1 78 VAL MG2 5.440 . 5.550 3.269 2.455 3.928 . 0 0 "[ . 1 . 2]" 1
112 1 48 GLU HG3 1 49 VAL MG1 5.500 . 5.610 5.512 4.875 5.621 0.011 9 0 "[ . 1 . 2]" 1
113 1 48 GLU HG3 1 78 VAL MG2 5.500 . 5.610 4.308 3.189 5.135 . 0 0 "[ . 1 . 2]" 1
114 1 48 GLU HG3 1 51 ALA MB 4.900 . 5.000 4.077 3.738 4.524 . 0 0 "[ . 1 . 2]" 1
115 1 49 VAL HA 1 53 LEU H 4.890 . 4.990 4.106 3.930 4.306 . 0 0 "[ . 1 . 2]" 1
116 1 49 VAL HA 1 53 LEU HB2 5.080 . 5.180 4.794 4.150 5.194 0.014 3 0 "[ . 1 . 2]" 1
117 1 41 LEU MD2 1 49 VAL HA 5.500 . 5.610 5.196 4.913 5.615 0.005 11 0 "[ . 1 . 2]" 1
118 1 49 VAL HB 1 50 VAL H 3.580 . 3.650 2.429 2.254 2.670 . 0 0 "[ . 1 . 2]" 1
119 1 49 VAL HB 1 91 VAL MG2 3.180 . 3.240 2.832 2.444 3.241 0.001 18 0 "[ . 1 . 2]" 1
120 1 41 LEU MD2 1 49 VAL HB 4.390 . 4.480 3.697 3.238 4.104 . 0 0 "[ . 1 . 2]" 1
121 1 49 VAL HB 1 91 VAL MG1 4.720 . 4.810 3.035 2.616 3.429 . 0 0 "[ . 1 . 2]" 1
122 1 49 VAL HA 1 49 VAL MG2 3.200 . 3.260 2.381 2.341 2.430 . 0 0 "[ . 1 . 2]" 1
123 1 49 VAL MG2 1 75 ILE HA 3.760 . 3.840 2.586 2.268 3.051 . 0 0 "[ . 1 . 2]" 1
124 1 49 VAL H 1 49 VAL MG2 3.090 . 3.150 2.086 2.008 2.164 . 0 0 "[ . 1 . 2]" 1
125 1 49 VAL MG2 1 50 VAL H 3.850 . 3.930 3.790 3.658 3.916 . 0 0 "[ . 1 . 2]" 1
126 1 49 VAL MG2 1 52 LYS H 5.500 . 5.610 5.360 5.139 5.572 . 0 0 "[ . 1 . 2]" 1
127 1 49 VAL MG2 1 78 VAL H 4.850 . 4.950 4.304 4.036 4.630 . 0 0 "[ . 1 . 2]" 1
128 1 46 VAL HA 1 49 VAL MG2 4.100 . 4.180 2.814 2.526 3.184 . 0 0 "[ . 1 . 2]" 1
129 1 49 VAL MG2 1 50 VAL HA 5.430 . 5.540 5.374 5.317 5.447 . 0 0 "[ . 1 . 2]" 1
130 1 45 GLN HB3 1 49 VAL MG2 4.180 . 4.260 3.624 3.343 3.822 . 0 0 "[ . 1 . 2]" 1
131 1 41 LEU MD2 1 49 VAL MG2 2.790 . 2.850 2.034 1.860 2.403 . 0 0 "[ . 1 . 2]" 1
132 1 78 VAL H 1 78 VAL MG2 3.020 . 3.080 2.072 1.940 2.219 . 0 0 "[ . 1 . 2]" 1
133 1 49 VAL H 1 49 VAL MG1 4.650 . 4.740 3.790 3.772 3.805 . 0 0 "[ . 1 . 2]" 1
134 1 49 VAL MG1 1 75 ILE H 5.110 . 5.210 3.351 3.116 3.739 . 0 0 "[ . 1 . 2]" 1
135 1 50 VAL HA 1 53 LEU HB2 3.500 . 3.570 2.209 1.797 2.773 0.003 2 0 "[ . 1 . 2]" 1
136 1 50 VAL HA 1 53 LEU HG 3.760 . 3.840 3.462 3.005 3.693 . 0 0 "[ . 1 . 2]" 1
137 1 50 VAL HB 1 95 LEU H 4.470 . 4.560 4.093 3.245 4.600 0.040 13 0 "[ . 1 . 2]" 1
138 1 47 GLN HA 1 50 VAL HB 4.500 . 4.590 3.760 2.492 4.614 0.024 4 0 "[ . 1 . 2]" 1
139 1 50 VAL MG2 1 94 ARG HA 5.350 . 5.460 4.455 4.340 4.759 . 0 0 "[ . 1 . 2]" 1
140 1 47 GLN HA 1 50 VAL MG2 4.830 . 4.930 2.235 1.794 3.609 0.006 4 0 "[ . 1 . 2]" 1
141 1 50 VAL HA 1 50 VAL MG2 3.380 . 3.450 2.903 2.474 3.228 . 0 0 "[ . 1 . 2]" 1
142 1 50 VAL MG2 1 94 ARG HG2 4.190 . 4.270 3.586 2.771 4.280 0.010 17 0 "[ . 1 . 2]" 1
143 1 50 VAL MG2 1 94 ARG HB3 4.060 . 4.140 2.569 2.284 2.902 . 0 0 "[ . 1 . 2]" 1
144 1 50 VAL H 1 50 VAL MG1 3.830 . 3.910 2.828 1.856 3.792 . 0 0 "[ . 1 . 2]" 1
145 1 50 VAL MG1 1 94 ARG HA 5.350 . 5.460 4.261 4.058 4.414 . 0 0 "[ . 1 . 2]" 1
146 1 50 VAL HA 1 50 VAL MG1 3.380 . 3.450 2.388 2.139 2.542 . 0 0 "[ . 1 . 2]" 1
147 1 50 VAL MG1 1 94 ARG HB3 4.060 . 4.140 2.813 2.656 3.187 . 0 0 "[ . 1 . 2]" 1
148 1 50 VAL MG1 1 94 ARG HG2 4.190 . 4.270 3.550 2.775 4.285 0.015 19 0 "[ . 1 . 2]" 1
149 1 50 VAL HB 1 51 ALA HA 4.890 . 4.990 4.502 4.148 4.844 . 0 0 "[ . 1 . 2]" 1
150 1 51 ALA H 1 51 ALA MB 2.820 . 2.880 2.248 2.237 2.262 . 0 0 "[ . 1 . 2]" 1
151 1 53 LEU H 1 53 LEU HG 4.660 . 4.750 3.688 2.670 4.528 . 0 0 "[ . 1 . 2]" 1
152 1 56 PRO HA 1 58 SER H 4.780 . 4.880 4.499 3.848 4.884 0.004 18 0 "[ . 1 . 2]" 1
153 1 56 PRO HB2 1 57 GLU H 4.360 . 4.450 3.346 1.791 3.859 0.009 10 0 "[ . 1 . 2]" 1
154 1 56 PRO HB3 1 57 GLU H 4.360 . 4.450 4.187 3.208 4.450 0.000 9 0 "[ . 1 . 2]" 1
155 1 11 THR HA 1 11 THR MG 3.380 . 3.450 2.502 2.259 3.237 . 0 0 "[ . 1 . 2]" 1
156 1 59 SER HA 1 62 ILE HG13 4.440 . 4.530 3.095 2.367 4.077 . 0 0 "[ . 1 . 2]" 1
157 1 59 SER HA 1 62 ILE HG12 4.440 . 4.530 3.479 1.989 4.540 0.010 5 0 "[ . 1 . 2]" 1
158 1 61 GLN HA 1 65 VAL H 5.490 . 5.600 5.085 4.117 5.610 0.010 5 0 "[ . 1 . 2]" 1
159 1 61 GLN HA 1 64 GLY H 5.180 . 5.280 3.358 2.749 3.762 . 0 0 "[ . 1 . 2]" 1
160 1 62 ILE HA 1 62 ILE MG 3.610 . 3.680 2.404 2.245 2.491 . 0 0 "[ . 1 . 2]" 1
161 1 62 ILE H 1 62 ILE HG12 4.540 . 4.630 2.851 1.956 3.601 . 0 0 "[ . 1 . 2]" 1
162 1 62 ILE H 1 62 ILE MG 4.300 . 4.390 3.510 2.318 3.808 . 0 0 "[ . 1 . 2]" 1
163 1 62 ILE MG 1 63 ASP H 4.420 . 4.510 3.423 3.029 4.176 . 0 0 "[ . 1 . 2]" 1
164 1 62 ILE HA 1 62 ILE MD 4.430 . 4.520 3.319 2.004 4.207 . 0 0 "[ . 1 . 2]" 1
165 1 59 SER HB2 1 62 ILE MD 5.500 . 5.610 4.839 3.646 5.615 0.005 15 0 "[ . 1 . 2]" 1
166 1 59 SER HB3 1 62 ILE MD 5.500 . 5.610 4.834 3.545 5.622 0.012 20 0 "[ . 1 . 2]" 1
167 1 59 SER HA 1 62 ILE MD 3.860 . 3.940 2.856 2.157 3.835 . 0 0 "[ . 1 . 2]" 1
168 1 62 ILE H 1 62 ILE MD 4.700 . 4.790 3.469 2.869 3.768 . 0 0 "[ . 1 . 2]" 1
169 1 62 ILE MD 1 74 PHE HE1 4.990 . 5.090 3.254 2.071 5.560 0.470 18 0 "[ . 1 . 2]" 1
170 1 65 VAL HB 1 66 VAL H 4.680 . 4.770 3.542 2.074 4.310 . 0 0 "[ . 1 . 2]" 1
171 1 65 VAL H 1 65 VAL MG1 4.640 . 4.730 3.044 2.441 3.934 . 0 0 "[ . 1 . 2]" 1
172 1 65 VAL H 1 65 VAL MG2 4.640 . 4.730 3.227 2.289 4.066 . 0 0 "[ . 1 . 2]" 1
173 1 65 VAL MG1 1 66 VAL H 4.650 . 4.740 3.510 2.384 4.194 . 0 0 "[ . 1 . 2]" 1
174 1 65 VAL MG2 1 66 VAL H 4.650 . 4.740 3.065 2.071 4.169 . 0 0 "[ . 1 . 2]" 1
175 1 67 SER HA 1 69 ASP H 4.380 . 4.470 4.251 3.955 4.470 0.000 6 0 "[ . 1 . 2]" 1
176 1 69 ASP HB2 1 70 GLU H 4.600 . 4.690 3.798 2.979 4.236 . 0 0 "[ . 1 . 2]" 1
177 1 69 ASP HB3 1 70 GLU H 4.600 . 4.690 4.074 3.019 4.322 . 0 0 "[ . 1 . 2]" 1
178 1 74 PHE HA 1 77 ASP HB2 3.950 . 4.030 2.762 2.319 3.148 . 0 0 "[ . 1 . 2]" 1
179 1 74 PHE HA 1 77 ASP HB3 3.950 . 4.030 2.837 2.158 4.033 0.003 12 0 "[ . 1 . 2]" 1
180 1 77 ASP H 1 77 ASP HB3 3.570 . 3.640 2.608 2.458 3.580 . 0 0 "[ . 1 . 2]" 1
181 1 77 ASP HB2 1 78 VAL MG2 4.260 . 4.350 4.300 3.304 4.363 0.013 6 0 "[ . 1 . 2]" 1
182 1 77 ASP HB3 1 78 VAL MG2 4.260 . 4.350 2.958 2.848 3.904 . 0 0 "[ . 1 . 2]" 1
183 1 70 GLU HA 1 70 GLU HG3 4.030 . 4.110 3.813 3.732 4.144 0.034 18 0 "[ . 1 . 2]" 1
184 1 70 GLU HA 1 70 GLU HG2 4.030 . 4.110 3.725 3.582 3.798 . 0 0 "[ . 1 . 2]" 1
185 1 71 ILE MG 1 88 ILE H 4.520 . 4.610 4.549 4.238 4.629 0.019 15 0 "[ . 1 . 2]" 1
186 1 53 LEU HG 1 71 ILE MG 3.950 . 4.030 3.879 3.428 4.058 0.028 6 0 "[ . 1 . 2]" 1
187 1 71 ILE MG 1 75 ILE MD 2.890 . 2.950 2.022 1.840 2.190 . 0 0 "[ . 1 . 2]" 1
188 1 71 ILE MG 1 91 VAL HB 3.820 . 3.900 2.446 2.163 2.696 . 0 0 "[ . 1 . 2]" 1
189 1 71 ILE HB 1 71 ILE MD 3.200 . 3.260 2.458 2.377 3.217 . 0 0 "[ . 1 . 2]" 1
190 1 71 ILE MD 1 92 ALA MB 3.240 . 3.300 2.476 2.058 3.311 0.011 17 0 "[ . 1 . 2]" 1
191 1 71 ILE MD 1 71 ILE MG 2.660 . 2.710 1.963 1.917 2.096 . 0 0 "[ . 1 . 2]" 1
192 1 71 ILE MD 1 92 ALA HA 3.900 . 3.980 3.029 2.564 3.471 . 0 0 "[ . 1 . 2]" 1
193 1 71 ILE H 1 71 ILE MD 3.700 . 3.770 3.522 2.836 3.639 . 0 0 "[ . 1 . 2]" 1
194 1 71 ILE MD 1 72 GLU H 4.300 . 4.390 4.367 4.294 4.415 0.025 17 0 "[ . 1 . 2]" 1
195 1 71 ILE MD 1 92 ALA H 4.650 . 4.740 3.743 3.166 4.261 . 0 0 "[ . 1 . 2]" 1
196 1 71 ILE HA 1 71 ILE MG 3.560 . 3.630 2.412 2.298 2.508 . 0 0 "[ . 1 . 2]" 1
197 1 71 ILE HA 1 71 ILE MD 4.010 . 4.090 3.778 1.979 3.926 . 0 0 "[ . 1 . 2]" 1
198 1 53 LEU HG 1 71 ILE HA 3.580 . 3.650 3.271 2.792 3.656 0.006 8 0 "[ . 1 . 2]" 1
199 1 72 GLU HA 1 76 ALA H 4.810 . 4.910 4.035 3.592 4.308 . 0 0 "[ . 1 . 2]" 1
200 1 71 ILE H 1 72 GLU HA 5.500 . 5.610 5.343 5.246 5.477 . 0 0 "[ . 1 . 2]" 1
201 1 72 GLU HA 1 72 GLU HG2 3.970 . 4.050 2.843 2.579 4.074 0.024 17 0 "[ . 1 . 2]" 1
202 1 72 GLU HA 1 83 PRO HG3 4.340 . 4.430 3.806 3.214 4.402 . 0 0 "[ . 1 . 2]" 1
203 1 72 GLU HA 1 75 ILE HB 3.540 . 3.610 2.638 2.182 2.952 . 0 0 "[ . 1 . 2]" 1
204 1 72 GLU HA 1 88 ILE MD 4.060 . 4.140 2.814 2.457 3.455 . 0 0 "[ . 1 . 2]" 1
205 1 72 GLU HA 1 75 ILE MD 3.860 . 3.940 2.226 1.799 2.740 0.001 4 0 "[ . 1 . 2]" 1
206 1 72 GLU HB2 1 88 ILE MD 4.610 . 4.700 4.159 2.752 4.648 . 0 0 "[ . 1 . 2]" 1
207 1 72 GLU HB3 1 88 ILE MD 4.610 . 4.700 2.988 1.787 3.613 0.013 11 0 "[ . 1 . 2]" 1
208 1 69 ASP HA 1 72 GLU HB3 5.500 . 5.610 4.971 4.243 5.521 . 0 0 "[ . 1 . 2]" 1
209 1 69 ASP HA 1 72 GLU HB2 5.500 . 5.610 3.932 2.741 5.613 0.003 17 0 "[ . 1 . 2]" 1
210 1 72 GLU HB3 1 73 LYS H 4.360 . 4.450 3.861 3.567 4.266 . 0 0 "[ . 1 . 2]" 1
211 1 71 ILE H 1 72 GLU HG2 5.170 . 5.270 5.167 4.035 5.281 0.011 7 0 "[ . 1 . 2]" 1
212 1 72 GLU HA 1 72 GLU HG3 4.110 . 4.190 3.396 3.250 3.807 . 0 0 "[ . 1 . 2]" 1
213 1 72 GLU HG2 1 75 ILE MD 4.770 . 4.870 3.821 3.346 4.876 0.006 17 0 "[ . 1 . 2]" 1
214 1 71 ILE HB 1 88 ILE HG12 4.440 . 4.530 4.035 3.440 4.427 . 0 0 "[ . 1 . 2]" 1
215 1 72 GLU HG3 1 88 ILE HG12 4.800 . 4.900 3.781 3.313 4.913 0.013 11 0 "[ . 1 . 2]" 1
216 1 71 ILE MG 1 74 PHE HB3 5.370 . 5.480 5.309 4.815 5.488 0.008 11 0 "[ . 1 . 2]" 1
217 1 71 ILE MG 1 74 PHE HB2 5.370 . 5.480 4.292 4.015 4.518 . 0 0 "[ . 1 . 2]" 1
218 1 75 ILE HA 1 78 VAL HB 4.230 . 4.310 3.744 3.288 4.314 0.004 13 0 "[ . 1 . 2]" 1
219 1 41 LEU MD2 1 75 ILE HA 3.530 . 3.600 2.495 2.084 2.978 . 0 0 "[ . 1 . 2]" 1
220 1 75 ILE HA 1 78 VAL MG2 3.570 . 3.640 2.840 2.623 3.107 . 0 0 "[ . 1 . 2]" 1
221 1 75 ILE HB 1 83 PRO HG3 4.350 . 4.440 3.769 2.817 4.346 . 0 0 "[ . 1 . 2]" 1
222 1 75 ILE HB 1 83 PRO HB3 4.360 . 4.450 2.321 1.969 2.519 . 0 0 "[ . 1 . 2]" 1
223 1 75 ILE HA 1 75 ILE MD 4.050 . 4.130 3.840 3.809 3.867 . 0 0 "[ . 1 . 2]" 1
224 1 75 ILE MD 1 91 VAL HB 3.510 . 3.580 2.815 2.578 3.533 . 0 0 "[ . 1 . 2]" 1
225 1 75 ILE HB 1 75 ILE MD 3.210 . 3.270 2.415 2.382 2.443 . 0 0 "[ . 1 . 2]" 1
226 1 75 ILE MD 1 91 VAL MG2 2.670 . 2.720 2.239 2.009 2.724 0.004 6 0 "[ . 1 . 2]" 1
227 1 41 LEU MD2 1 75 ILE MG 2.930 . 2.990 1.851 1.797 2.061 0.003 5 0 "[ . 1 . 2]" 1
228 1 75 ILE MD 1 75 ILE MG 3.130 . 3.190 1.958 1.906 2.013 . 0 0 "[ . 1 . 2]" 1
229 1 75 ILE MG 1 76 ALA MB 3.900 . 3.980 3.852 3.675 3.981 0.001 11 0 "[ . 1 . 2]" 1
230 1 75 ILE MG 1 87 ASP HB3 4.500 . 4.590 2.303 2.022 3.278 . 0 0 "[ . 1 . 2]" 1
231 1 75 ILE HA 1 75 ILE MG 3.540 . 3.610 2.471 2.426 2.513 . 0 0 "[ . 1 . 2]" 1
232 1 75 ILE MG 1 76 ALA HA 4.820 . 4.920 3.237 3.110 3.342 . 0 0 "[ . 1 . 2]" 1
233 1 76 ALA MB 1 77 ASP HA 3.940 . 4.020 3.906 3.815 3.978 . 0 0 "[ . 1 . 2]" 1
234 1 76 ALA MB 1 83 PRO HD3 4.250 . 4.340 2.733 1.939 3.119 . 0 0 "[ . 1 . 2]" 1
235 1 76 ALA MB 1 83 PRO HG3 3.740 . 3.810 2.429 1.834 2.978 . 0 0 "[ . 1 . 2]" 1
236 1 75 ILE HB 1 76 ALA MB 4.370 . 4.460 3.893 3.802 3.978 . 0 0 "[ . 1 . 2]" 1
237 1 76 ALA MB 1 77 ASP H 3.370 . 3.440 2.784 2.624 2.948 . 0 0 "[ . 1 . 2]" 1
238 1 76 ALA H 1 76 ALA MB 2.860 . 2.920 2.239 2.230 2.249 . 0 0 "[ . 1 . 2]" 1
239 1 76 ALA MB 1 80 LYS H 4.600 . 4.690 4.425 4.210 4.692 0.002 17 0 "[ . 1 . 2]" 1
240 1 78 VAL HA 1 78 VAL MG2 3.060 . 3.120 2.503 2.464 2.539 . 0 0 "[ . 1 . 2]" 1
241 1 78 VAL HB 1 79 THR H 4.190 . 4.270 4.107 3.943 4.192 . 0 0 "[ . 1 . 2]" 1
242 1 75 ILE MG 1 83 PRO HB3 3.400 . 3.470 2.337 2.117 2.510 . 0 0 "[ . 1 . 2]" 1
243 1 41 LEU HA 1 78 VAL HB 5.500 . 5.610 5.033 4.674 5.448 . 0 0 "[ . 1 . 2]" 1
244 1 45 GLN HB3 1 78 VAL MG1 3.530 . 3.600 2.068 1.797 2.423 0.003 14 0 "[ . 1 . 2]" 1
245 1 45 GLN HG3 1 78 VAL MG1 4.530 . 4.620 3.621 3.197 4.622 0.002 1 0 "[ . 1 . 2]" 1
246 1 48 GLU HG2 1 78 VAL MG1 4.700 . 4.790 3.920 2.973 4.672 . 0 0 "[ . 1 . 2]" 1
247 1 78 VAL HA 1 78 VAL MG1 3.120 . 3.180 2.342 2.315 2.380 . 0 0 "[ . 1 . 2]" 1
248 1 79 THR HA 1 81 ASP H 4.930 . 5.030 3.628 3.271 4.098 . 0 0 "[ . 1 . 2]" 1
249 1 79 THR HA 1 79 THR MG 3.530 . 3.600 2.325 2.282 2.384 . 0 0 "[ . 1 . 2]" 1
250 1 79 THR H 1 79 THR HB 3.970 . 4.050 3.734 3.663 3.805 . 0 0 "[ . 1 . 2]" 1
251 1 79 THR HB 1 80 LYS H 4.390 . 4.480 3.920 3.883 3.972 . 0 0 "[ . 1 . 2]" 1
252 1 40 THR H 1 79 THR HB 5.500 . 5.610 5.427 4.370 5.629 0.019 1 0 "[ . 1 . 2]" 1
253 1 78 VAL HB 1 79 THR HB 5.060 . 5.160 5.125 5.045 5.166 0.006 6 0 "[ . 1 . 2]" 1
254 1 78 VAL MG1 1 79 THR HB 4.540 . 4.630 3.906 3.800 3.997 . 0 0 "[ . 1 . 2]" 1
255 1 78 VAL HB 1 80 LYS HA 5.040 . 5.140 5.063 4.776 5.149 0.009 5 0 "[ . 1 . 2]" 1
256 1 75 ILE HB 1 80 LYS HB2 5.500 . 5.610 5.254 4.995 5.543 . 0 0 "[ . 1 . 2]" 1
257 1 75 ILE HB 1 80 LYS HB3 4.810 . 4.910 4.441 4.258 4.643 . 0 0 "[ . 1 . 2]" 1
258 1 78 VAL HB 1 80 LYS HB3 5.390 . 5.500 4.340 3.866 4.659 . 0 0 "[ . 1 . 2]" 1
259 1 80 LYS HB3 1 83 PRO HB3 5.500 . 5.610 4.120 3.537 4.680 . 0 0 "[ . 1 . 2]" 1
260 1 78 VAL HB 1 80 LYS HB2 5.090 . 5.190 3.420 2.922 3.704 . 0 0 "[ . 1 . 2]" 1
261 1 80 LYS HG3 1 83 PRO HB3 5.090 . 5.190 4.226 3.360 4.989 . 0 0 "[ . 1 . 2]" 1
262 1 80 LYS HG2 1 83 PRO HB3 4.920 . 5.020 3.874 2.648 4.655 . 0 0 "[ . 1 . 2]" 1
263 1 75 ILE HB 1 80 LYS HG2 4.840 . 4.940 4.545 3.988 4.845 . 0 0 "[ . 1 . 2]" 1
264 1 75 ILE HB 1 80 LYS HG3 5.500 . 5.610 5.457 5.007 5.620 0.010 11 0 "[ . 1 . 2]" 1
265 1 81 ASP HB2 1 82 GLU HB2 5.500 . 5.610 5.432 4.577 5.615 0.005 16 0 "[ . 1 . 2]" 1
266 1 81 ASP HB3 1 82 GLU HB2 4.250 . 4.340 3.952 3.627 4.342 0.002 5 0 "[ . 1 . 2]" 1
267 1 79 THR HA 1 81 ASP HB2 4.900 . 5.000 4.625 4.211 5.012 0.012 12 0 "[ . 1 . 2]" 1
268 1 81 ASP H 1 81 ASP HB2 4.040 . 4.120 3.243 3.145 3.342 . 0 0 "[ . 1 . 2]" 1
269 1 82 GLU HA 1 83 PRO HD2 4.010 . 4.090 2.246 2.067 2.458 . 0 0 "[ . 1 . 2]" 1
270 1 76 ALA MB 1 82 GLU HA 5.460 . 5.570 4.678 3.788 5.479 . 0 0 "[ . 1 . 2]" 1
271 1 82 GLU H 1 82 GLU HB2 3.490 . 3.560 2.925 2.651 3.308 . 0 0 "[ . 1 . 2]" 1
272 1 82 GLU H 1 82 GLU HB3 3.460 . 3.530 2.510 2.267 2.807 . 0 0 "[ . 1 . 2]" 1
273 1 82 GLU HB2 1 83 PRO HD2 5.120 . 5.220 4.602 4.433 4.802 . 0 0 "[ . 1 . 2]" 1
274 1 82 GLU HB3 1 83 PRO HD2 4.900 . 5.000 4.922 4.626 5.017 0.017 20 0 "[ . 1 . 2]" 1
275 1 82 GLU HB3 1 83 PRO HD3 4.900 . 5.000 4.935 4.737 5.011 0.011 12 0 "[ . 1 . 2]" 1
276 1 82 GLU HB2 1 83 PRO HD3 5.120 . 5.220 4.776 4.484 5.013 . 0 0 "[ . 1 . 2]" 1
277 1 75 ILE MG 1 83 PRO HA 5.070 . 5.170 2.542 1.872 2.995 . 0 0 "[ . 1 . 2]" 1
278 1 72 GLU HA 1 83 PRO HB3 4.600 . 4.690 3.222 2.500 3.680 . 0 0 "[ . 1 . 2]" 1
279 1 72 GLU HA 1 83 PRO HB2 4.440 . 4.530 2.868 2.520 3.159 . 0 0 "[ . 1 . 2]" 1
280 1 75 ILE MG 1 83 PRO HB2 3.900 . 3.980 3.322 2.969 3.767 . 0 0 "[ . 1 . 2]" 1
281 1 76 ALA H 1 83 PRO HG2 5.500 . 5.610 5.102 3.948 5.613 0.003 12 0 "[ . 1 . 2]" 1
282 1 72 GLU HA 1 83 PRO HG2 4.900 . 5.000 4.062 3.031 4.615 . 0 0 "[ . 1 . 2]" 1
283 1 75 ILE MG 1 83 PRO HG3 4.160 . 4.240 4.006 2.946 4.243 0.003 13 0 "[ . 1 . 2]" 1
284 1 83 PRO HG3 1 88 ILE MD 4.920 . 5.020 4.283 3.791 4.921 . 0 0 "[ . 1 . 2]" 1
285 1 75 ILE MD 1 83 PRO HG2 5.240 . 5.340 4.861 4.451 5.344 0.004 1 0 "[ . 1 . 2]" 1
286 1 83 PRO HG2 1 88 ILE MD 4.640 . 4.730 3.592 3.117 4.026 . 0 0 "[ . 1 . 2]" 1
287 1 75 ILE MG 1 83 PRO HG2 4.810 . 4.910 4.717 4.215 4.916 0.006 1 0 "[ . 1 . 2]" 1
288 1 76 ALA MB 1 83 PRO HG2 4.430 . 4.520 3.906 2.947 4.513 . 0 0 "[ . 1 . 2]" 1
289 1 76 ALA MB 1 83 PRO HD2 4.250 . 4.340 4.052 3.354 4.348 0.008 13 0 "[ . 1 . 2]" 1
290 1 82 GLU HA 1 83 PRO HD3 4.010 . 4.090 2.434 2.055 2.886 . 0 0 "[ . 1 . 2]" 1
291 1 84 THR MG 1 86 GLN H 4.310 . 4.400 2.039 1.820 2.318 . 0 0 "[ . 1 . 2]" 1
292 1 84 THR MG 1 88 ILE H 4.300 . 4.390 4.069 3.932 4.220 . 0 0 "[ . 1 . 2]" 1
293 1 84 THR MG 1 87 ASP HA 4.630 . 4.720 4.310 3.945 4.727 0.007 15 0 "[ . 1 . 2]" 1
294 1 85 ALA HA 1 88 ILE MD 3.280 . 3.350 2.966 2.657 3.176 . 0 0 "[ . 1 . 2]" 1
295 1 85 ALA HA 1 88 ILE HB 3.630 . 3.700 2.488 2.271 2.725 . 0 0 "[ . 1 . 2]" 1
296 1 84 THR HA 1 85 ALA MB 4.460 . 4.550 4.193 4.131 4.251 . 0 0 "[ . 1 . 2]" 1
297 1 86 GLN HA 1 86 GLN HG3 3.760 . 3.840 2.748 2.522 3.176 . 0 0 "[ . 1 . 2]" 1
298 1 51 ALA MB 1 52 LYS HA 4.000 . 4.080 3.931 3.842 4.015 . 0 0 "[ . 1 . 2]" 1
299 1 85 ALA MB 1 86 GLN HB2 4.720 . 4.810 4.342 4.186 4.508 . 0 0 "[ . 1 . 2]" 1
300 1 85 ALA MB 1 86 GLN HB3 5.080 . 5.180 4.817 4.689 4.988 . 0 0 "[ . 1 . 2]" 1
301 1 86 GLN H 1 86 GLN HG2 4.640 . 4.730 4.454 4.345 4.620 . 0 0 "[ . 1 . 2]" 1
302 1 86 GLN H 1 86 GLN HG3 4.640 . 4.730 4.496 4.427 4.571 . 0 0 "[ . 1 . 2]" 1
303 1 86 GLN HA 1 86 GLN HG2 3.760 . 3.840 3.250 2.930 3.841 0.001 18 0 "[ . 1 . 2]" 1
304 1 86 GLN HG2 1 90 ARG HD2 5.190 . 5.290 3.596 2.157 5.119 . 0 0 "[ . 1 . 2]" 1
305 1 86 GLN HG2 1 90 ARG HD3 5.190 . 5.290 3.590 2.370 5.089 . 0 0 "[ . 1 . 2]" 1
306 1 86 GLN HG3 1 90 ARG HD2 5.190 . 5.290 3.833 2.345 5.182 . 0 0 "[ . 1 . 2]" 1
307 1 86 GLN HG3 1 90 ARG HD3 5.190 . 5.290 3.947 2.801 5.297 0.007 6 0 "[ . 1 . 2]" 1
308 1 75 ILE MG 1 87 ASP HB2 4.500 . 4.590 2.679 2.294 3.038 . 0 0 "[ . 1 . 2]" 1
309 1 75 ILE MD 1 87 ASP HB2 3.720 . 3.790 2.267 1.860 2.715 . 0 0 "[ . 1 . 2]" 1
310 1 75 ILE MD 1 87 ASP HB3 3.720 . 3.790 2.074 1.831 3.634 . 0 0 "[ . 1 . 2]" 1
311 1 75 ILE MD 1 87 ASP HA 4.940 . 5.040 3.763 3.646 4.030 . 0 0 "[ . 1 . 2]" 1
312 1 88 ILE HA 1 91 VAL HB 4.160 . 4.240 2.795 2.680 2.908 . 0 0 "[ . 1 . 2]" 1
313 1 75 ILE MD 1 88 ILE HA 3.330 . 3.400 2.250 2.082 2.463 . 0 0 "[ . 1 . 2]" 1
314 1 71 ILE MG 1 88 ILE HA 3.350 . 3.420 2.406 2.107 2.519 . 0 0 "[ . 1 . 2]" 1
315 1 88 ILE HA 1 92 ALA H 4.980 . 5.080 3.624 3.474 3.768 . 0 0 "[ . 1 . 2]" 1
316 1 88 ILE H 1 88 ILE HG12 4.320 . 4.410 3.894 3.419 4.031 . 0 0 "[ . 1 . 2]" 1
317 1 57 GLU HB3 1 58 SER H 4.600 . 4.690 2.688 2.140 4.184 . 0 0 "[ . 1 . 2]" 1
318 1 88 ILE H 1 88 ILE MG 3.930 . 4.010 3.767 3.748 3.794 . 0 0 "[ . 1 . 2]" 1
319 1 72 GLU H 1 88 ILE MG 4.920 . 5.020 4.754 4.339 5.022 0.002 15 0 "[ . 1 . 2]" 1
320 1 88 ILE MG 1 89 SER HA 4.400 . 4.490 3.149 3.015 3.388 . 0 0 "[ . 1 . 2]" 1
321 1 85 ALA HA 1 88 ILE MG 4.270 . 4.360 3.773 3.358 4.019 . 0 0 "[ . 1 . 2]" 1
322 1 88 ILE HA 1 88 ILE MG 3.440 . 3.510 2.566 2.448 2.613 . 0 0 "[ . 1 . 2]" 1
323 1 88 ILE MG 1 92 ALA MB 3.510 . 3.580 2.713 2.553 2.852 . 0 0 "[ . 1 . 2]" 1
324 1 72 GLU H 1 88 ILE MD 4.540 . 4.630 4.267 4.000 4.486 . 0 0 "[ . 1 . 2]" 1
325 1 88 ILE MD 1 89 SER H 4.380 . 4.470 4.082 3.942 4.485 0.015 13 0 "[ . 1 . 2]" 1
326 1 88 ILE HA 1 88 ILE MD 4.050 . 4.130 2.922 2.721 3.825 . 0 0 "[ . 1 . 2]" 1
327 1 72 GLU HG2 1 88 ILE MD 3.620 . 3.690 2.510 1.929 3.707 0.017 11 0 "[ . 1 . 2]" 1
328 1 83 PRO HB2 1 88 ILE MD 2.900 . 2.960 2.125 1.854 2.763 . 0 0 "[ . 1 . 2]" 1
329 1 85 ALA MB 1 88 ILE MD 4.220 . 4.300 4.198 3.912 4.308 0.008 15 0 "[ . 1 . 2]" 1
330 1 75 ILE MD 1 88 ILE MD 2.790 . 2.850 2.185 1.980 2.886 0.036 13 0 "[ . 1 . 2]" 1
331 1 88 ILE MG 1 89 SER HB2 4.330 . 4.420 4.180 3.978 4.424 0.004 13 0 "[ . 1 . 2]" 1
332 1 90 ARG HA 1 93 SER H 4.350 . 4.440 3.584 3.342 3.854 . 0 0 "[ . 1 . 2]" 1
333 1 90 ARG HA 1 92 ALA H 5.020 . 5.120 4.695 4.474 4.860 . 0 0 "[ . 1 . 2]" 1
334 1 90 ARG HA 1 90 ARG HD2 5.400 . 5.510 4.005 2.258 4.921 . 0 0 "[ . 1 . 2]" 1
335 1 90 ARG HA 1 90 ARG HD3 5.400 . 5.510 4.254 3.299 4.852 . 0 0 "[ . 1 . 2]" 1
336 1 46 VAL MG1 1 90 ARG HA 5.500 . 5.610 4.214 3.799 4.858 . 0 0 "[ . 1 . 2]" 1
337 1 46 VAL MG2 1 90 ARG HA 5.500 . 5.610 5.316 4.666 5.615 0.005 11 0 "[ . 1 . 2]" 1
338 1 91 VAL HA 1 95 LEU H 4.600 . 4.690 4.143 4.009 4.231 . 0 0 "[ . 1 . 2]" 1
339 1 91 VAL HA 1 94 ARG HG2 4.400 . 4.490 2.452 2.219 2.617 . 0 0 "[ . 1 . 2]" 1
340 1 91 VAL HA 1 91 VAL MG1 3.240 . 3.300 2.460 2.393 2.519 . 0 0 "[ . 1 . 2]" 1
341 1 49 VAL H 1 91 VAL MG2 5.500 . 5.610 4.801 4.372 5.090 . 0 0 "[ . 1 . 2]" 1
342 1 75 ILE H 1 91 VAL MG2 5.500 . 5.610 4.857 4.604 5.191 . 0 0 "[ . 1 . 2]" 1
343 1 91 VAL MG2 1 92 ALA H 4.000 . 4.080 3.783 3.669 3.868 . 0 0 "[ . 1 . 2]" 1
344 1 90 ARG H 1 91 VAL MG2 4.630 . 4.720 4.211 4.086 4.283 . 0 0 "[ . 1 . 2]" 1
345 1 91 VAL HA 1 91 VAL MG2 3.000 . 3.060 2.380 2.347 2.455 . 0 0 "[ . 1 . 2]" 1
346 1 91 VAL MG2 1 94 ARG HG2 4.420 . 4.510 4.269 4.069 4.438 . 0 0 "[ . 1 . 2]" 1
347 1 91 VAL MG1 1 93 SER H 4.800 . 4.900 4.893 4.842 4.907 0.007 10 0 "[ . 1 . 2]" 1
348 1 49 VAL H 1 91 VAL MG1 5.500 . 5.610 5.074 4.643 5.431 . 0 0 "[ . 1 . 2]" 1
349 1 75 ILE H 1 91 VAL MG1 5.500 . 5.610 5.016 4.736 5.389 . 0 0 "[ . 1 . 2]" 1
350 1 50 VAL H 1 91 VAL MG1 4.310 . 4.400 3.375 3.046 3.732 . 0 0 "[ . 1 . 2]" 1
351 1 91 VAL MG1 1 95 LEU H 4.670 . 4.760 3.858 3.719 3.927 . 0 0 "[ . 1 . 2]" 1
352 1 91 VAL H 1 91 VAL MG1 3.800 . 3.880 3.768 3.755 3.782 . 0 0 "[ . 1 . 2]" 1
353 1 50 VAL HA 1 91 VAL MG1 4.170 . 4.250 3.106 2.771 3.467 . 0 0 "[ . 1 . 2]" 1
354 1 91 VAL MG1 1 92 ALA HA 4.560 . 4.650 3.332 3.208 3.467 . 0 0 "[ . 1 . 2]" 1
355 1 91 VAL MG1 1 94 ARG HG2 4.730 . 4.820 4.273 4.074 4.427 . 0 0 "[ . 1 . 2]" 1
356 1 53 LEU HG 1 91 VAL MG1 3.440 . 3.510 3.312 2.879 3.527 0.017 12 0 "[ . 1 . 2]" 1
357 1 92 ALA HA 1 95 LEU HB2 5.390 . 5.500 4.621 2.880 4.767 . 0 0 "[ . 1 . 2]" 1
358 1 92 ALA HA 1 95 LEU HB3 5.390 . 5.500 4.491 4.066 4.684 . 0 0 "[ . 1 . 2]" 1
359 1 92 ALA HA 1 94 ARG HG2 5.500 . 5.610 5.591 5.430 5.619 0.009 11 0 "[ . 1 . 2]" 1
360 1 92 ALA HA 1 95 LEU HG 3.690 . 3.760 2.046 1.808 2.171 . 0 0 "[ . 1 . 2]" 1
361 1 71 ILE MG 1 92 ALA HA 4.100 . 4.180 3.999 3.728 4.150 . 0 0 "[ . 1 . 2]" 1
362 1 92 ALA HA 1 95 LEU MD1 3.300 . 3.370 2.319 2.017 2.474 . 0 0 "[ . 1 . 2]" 1
363 1 92 ALA H 1 92 ALA MB 2.920 . 2.980 2.248 2.236 2.262 . 0 0 "[ . 1 . 2]" 1
364 1 89 SER HA 1 92 ALA MB 3.320 . 3.390 2.731 2.517 3.031 . 0 0 "[ . 1 . 2]" 1
365 1 71 ILE MG 1 92 ALA MB 3.370 . 3.440 3.231 2.782 3.446 0.006 6 0 "[ . 1 . 2]" 1
366 1 92 ALA MB 1 95 LEU MD1 3.030 . 3.090 3.039 2.874 3.097 0.007 4 0 "[ . 1 . 2]" 1
367 1 92 ALA H 1 93 SER HA 5.370 . 5.480 5.300 5.279 5.326 . 0 0 "[ . 1 . 2]" 1
368 1 93 SER HA 1 97 ALA H 4.680 . 4.770 4.075 3.668 4.494 . 0 0 "[ . 1 . 2]" 1
369 1 93 SER HA 1 95 LEU H 5.060 . 5.160 4.906 4.588 5.160 . 0 0 "[ . 1 . 2]" 1
370 1 93 SER HA 1 96 ALA MB 3.430 . 3.500 2.440 2.120 2.708 . 0 0 "[ . 1 . 2]" 1
371 1 93 SER HB2 1 94 ARG H 4.040 . 4.120 3.453 2.622 3.989 . 0 0 "[ . 1 . 2]" 1
372 1 93 SER H 1 93 SER HB2 3.500 . 3.570 2.674 2.404 3.587 0.017 17 0 "[ . 1 . 2]" 1
373 1 93 SER HB3 1 96 ALA MB 5.050 . 5.150 4.594 3.881 5.146 . 0 0 "[ . 1 . 2]" 1
374 1 93 SER HB2 1 96 ALA MB 5.050 . 5.150 4.633 3.829 5.159 0.009 15 0 "[ . 1 . 2]" 1
375 1 94 ARG HA 1 96 ALA H 4.700 . 4.790 4.325 4.147 4.612 . 0 0 "[ . 1 . 2]" 1
376 1 94 ARG HA 1 97 ALA MB 3.510 . 3.580 2.789 2.193 3.463 . 0 0 "[ . 1 . 2]" 1
377 1 94 ARG H 1 94 ARG HD2 5.220 . 5.320 3.615 2.682 4.070 . 0 0 "[ . 1 . 2]" 1
378 1 94 ARG H 1 94 ARG HD3 5.220 . 5.320 2.919 2.473 3.590 . 0 0 "[ . 1 . 2]" 1
379 1 94 ARG H 1 94 ARG HG3 3.990 . 4.070 3.581 3.471 3.638 . 0 0 "[ . 1 . 2]" 1
380 1 50 VAL H 1 94 ARG HG3 5.320 . 5.430 5.124 4.881 5.400 . 0 0 "[ . 1 . 2]" 1
381 1 94 ARG HG3 1 95 LEU H 5.500 . 5.610 4.543 4.417 4.672 . 0 0 "[ . 1 . 2]" 1
382 1 94 ARG HA 1 94 ARG HG2 4.030 . 4.110 3.402 3.344 3.497 . 0 0 "[ . 1 . 2]" 1
383 1 94 ARG HA 1 94 ARG HG3 4.020 . 4.100 3.808 3.758 3.854 . 0 0 "[ . 1 . 2]" 1
384 1 91 VAL HA 1 94 ARG HB2 4.410 . 4.500 3.260 3.181 3.370 . 0 0 "[ . 1 . 2]" 1
385 1 91 VAL HA 1 94 ARG HB3 4.740 . 4.830 4.623 4.574 4.710 . 0 0 "[ . 1 . 2]" 1
386 1 94 ARG H 1 94 ARG HB2 3.620 . 3.690 2.740 2.671 2.827 . 0 0 "[ . 1 . 2]" 1
387 1 94 ARG HB2 1 95 LEU H 4.040 . 4.120 2.195 2.071 2.426 . 0 0 "[ . 1 . 2]" 1
388 1 91 VAL MG1 1 94 ARG HB2 3.810 . 3.890 3.890 3.826 3.908 0.018 20 0 "[ . 1 . 2]" 1
389 1 95 LEU HA 1 95 LEU MD2 3.970 . 4.050 3.821 2.377 4.004 . 0 0 "[ . 1 . 2]" 1
390 1 53 LEU MD1 1 95 LEU HB2 5.500 . 5.610 4.271 2.931 5.517 . 0 0 "[ . 1 . 2]" 1
391 1 53 LEU MD1 1 95 LEU HB3 5.500 . 5.610 3.780 2.729 5.355 . 0 0 "[ . 1 . 2]" 1
392 1 94 ARG H 1 95 LEU MD2 4.560 . 4.650 4.346 4.056 4.477 . 0 0 "[ . 1 . 2]" 1
393 1 94 ARG HG2 1 95 LEU MD2 4.690 . 4.780 4.765 4.443 4.804 0.024 11 0 "[ . 1 . 2]" 1
394 1 71 ILE MG 1 95 LEU MD2 3.490 . 3.560 3.078 2.804 3.586 0.026 15 0 "[ . 1 . 2]" 1
395 1 94 ARG HB2 1 95 LEU MD1 5.400 . 5.510 5.443 5.215 5.520 0.010 19 0 "[ . 1 . 2]" 1
396 1 53 LEU MD1 1 95 LEU MD1 4.440 . 4.530 3.391 2.423 4.530 . 0 0 "[ . 1 . 2]" 1
397 1 34 LEU HA 1 34 LEU MD2 4.300 . 4.390 3.280 1.899 4.118 . 0 0 "[ . 1 . 2]" 1
398 1 96 ALA MB 1 97 ALA H 3.130 . 3.190 2.489 2.210 2.764 . 0 0 "[ . 1 . 2]" 1
399 1 97 ALA MB 1 98 GLY HA2 5.100 . 5.200 3.982 3.819 4.094 . 0 0 "[ . 1 . 2]" 1
400 1 97 ALA MB 1 98 GLY HA3 5.100 . 5.200 4.455 4.246 4.574 . 0 0 "[ . 1 . 2]" 1
401 1 106 ASP HB2 1 109 ALA MB 4.650 . 4.740 3.273 1.804 4.744 0.004 17 0 "[ . 1 . 2]" 1
402 1 106 ASP HB3 1 109 ALA MB 4.650 . 4.740 3.048 1.799 4.753 0.013 12 0 "[ . 1 . 2]" 1
403 1 107 SER HA 1 110 LEU H 5.140 . 5.240 4.015 3.246 5.005 . 0 0 "[ . 1 . 2]" 1
404 1 110 LEU H 1 111 ASN HB3 5.430 . 5.540 4.757 3.771 5.569 0.029 9 0 "[ . 1 . 2]" 1
405 1 110 LEU H 1 111 ASN HB2 5.430 . 5.540 4.914 3.766 5.557 0.017 16 0 "[ . 1 . 2]" 1
406 1 112 ALA H 1 112 ALA MB 3.230 . 3.290 2.685 2.296 2.925 . 0 0 "[ . 1 . 2]" 1
407 1 18 GLY HA3 1 19 PRO HD3 3.510 . 3.580 2.851 2.425 3.475 . 0 0 "[ . 1 . 2]" 1
408 1 18 GLY HA2 1 19 PRO HD3 3.510 . 3.580 2.608 1.954 3.516 . 0 0 "[ . 1 . 2]" 1
409 1 18 GLY HA2 1 19 PRO HD2 3.510 . 3.580 3.196 2.531 3.591 0.011 18 0 "[ . 1 . 2]" 1
410 1 53 LEU MD2 1 74 PHE QD 4.880 . 4.980 2.664 1.989 2.864 . 0 0 "[ . 1 . 2]" 1
411 1 100 TRP H 1 100 TRP HD1 3.620 . 3.690 2.382 1.794 3.308 0.006 20 0 "[ . 1 . 2]" 1
412 1 13 GLU H 1 13 GLU HG2 5.500 . 5.610 3.742 2.201 4.612 . 0 0 "[ . 1 . 2]" 1
413 1 13 GLU H 1 13 GLU HG3 5.500 . 5.610 3.777 2.338 4.840 . 0 0 "[ . 1 . 2]" 1
414 1 95 LEU HA 1 98 GLY H 4.950 . 5.050 3.022 2.658 4.182 . 0 0 "[ . 1 . 2]" 1
415 1 22 PRO HA 1 23 GLU H 3.000 . 3.060 2.474 2.141 3.074 0.014 2 0 "[ . 1 . 2]" 1
416 1 23 GLU H 1 23 GLU HG2 5.500 . 5.610 3.791 1.995 4.895 . 0 0 "[ . 1 . 2]" 1
417 1 23 GLU H 1 23 GLU HG3 5.500 . 5.610 3.379 1.905 5.000 . 0 0 "[ . 1 . 2]" 1
418 1 23 GLU H 1 23 GLU HB2 3.790 . 3.870 3.045 2.417 3.874 0.004 11 0 "[ . 1 . 2]" 1
419 1 23 GLU H 1 23 GLU HB3 3.790 . 3.870 3.163 2.642 3.746 . 0 0 "[ . 1 . 2]" 1
420 1 24 GLY H 1 25 VAL H 4.130 . 4.210 2.603 2.216 2.836 . 0 0 "[ . 1 . 2]" 1
421 1 23 GLU HA 1 24 GLY H 3.330 . 3.400 2.230 2.140 2.369 . 0 0 "[ . 1 . 2]" 1
422 1 23 GLU HG2 1 24 GLY H 5.500 . 5.610 4.275 2.266 5.250 . 0 0 "[ . 1 . 2]" 1
423 1 23 GLU HG3 1 24 GLY H 5.500 . 5.610 4.365 2.413 5.590 . 0 0 "[ . 1 . 2]" 1
424 1 23 GLU HA 1 25 VAL H 4.490 . 4.580 3.363 2.949 3.793 . 0 0 "[ . 1 . 2]" 1
425 1 25 VAL H 1 25 VAL HB 3.780 . 3.860 3.651 2.931 3.867 0.007 3 0 "[ . 1 . 2]" 1
426 1 27 PRO HA 1 28 THR H 3.200 . 3.260 2.292 2.129 2.894 . 0 0 "[ . 1 . 2]" 1
427 1 28 THR H 1 28 THR MG 4.220 . 4.300 3.221 2.399 4.029 . 0 0 "[ . 1 . 2]" 1
428 1 28 THR HA 1 29 ASP H 3.140 . 3.200 2.492 2.147 3.309 0.109 16 0 "[ . 1 . 2]" 1
429 1 31 PHE H 1 31 PHE HD1 5.330 . 5.440 4.384 2.074 5.098 . 0 0 "[ . 1 . 2]" 1
430 1 31 PHE H 1 31 PHE HD2 5.500 . 5.610 2.950 2.263 5.265 . 0 0 "[ . 1 . 2]" 1
431 1 30 ARG HA 1 31 PHE H 3.230 . 3.290 2.540 2.133 3.371 0.081 15 0 "[ . 1 . 2]" 1
432 1 31 PHE H 1 32 PRO HD2 5.310 . 5.420 4.853 4.007 5.271 . 0 0 "[ . 1 . 2]" 1
433 1 31 PHE H 1 32 PRO HD3 5.310 . 5.420 4.673 2.460 5.212 . 0 0 "[ . 1 . 2]" 1
434 1 31 PHE H 1 31 PHE HB2 3.950 . 4.030 2.665 2.385 4.007 . 0 0 "[ . 1 . 2]" 1
435 1 31 PHE H 1 31 PHE HB3 3.950 . 4.030 3.612 3.063 3.920 . 0 0 "[ . 1 . 2]" 1
436 1 30 ARG HB2 1 31 PHE H 5.320 . 5.430 3.720 2.121 4.570 . 0 0 "[ . 1 . 2]" 1
437 1 30 ARG HB3 1 31 PHE H 5.320 . 5.430 3.399 1.927 4.453 . 0 0 "[ . 1 . 2]" 1
438 1 32 PRO HD3 1 33 LEU H 4.500 . 4.590 4.039 3.761 4.387 . 0 0 "[ . 1 . 2]" 1
439 1 33 LEU HA 1 34 LEU H 2.960 . 3.020 2.255 2.111 3.084 0.064 1 0 "[ . 1 . 2]" 1
440 1 34 LEU HA 1 35 ALA H 3.510 . 3.580 2.920 2.155 3.544 . 0 0 "[ . 1 . 2]" 1
441 1 35 ALA H 1 35 ALA MB 3.010 . 3.070 2.319 2.239 2.699 . 0 0 "[ . 1 . 2]" 1
442 1 34 LEU MD1 1 35 ALA H 5.190 . 5.290 4.270 1.826 5.310 0.020 14 0 "[ . 1 . 2]" 1
443 1 34 LEU MD2 1 35 ALA H 5.190 . 5.290 4.313 2.783 5.305 0.015 3 0 "[ . 1 . 2]" 1
444 1 35 ALA HA 1 36 LEU H 3.080 . 3.140 2.605 2.155 3.163 0.023 8 0 "[ . 1 . 2]" 1
445 1 35 ALA MB 1 36 LEU H 3.830 . 3.910 3.534 3.108 3.724 . 0 0 "[ . 1 . 2]" 1
446 1 38 ARG H 1 39 ARG H 4.620 . 4.710 4.223 2.637 4.504 . 0 0 "[ . 1 . 2]" 1
447 1 37 LEU HA 1 38 ARG H 2.820 . 2.880 2.312 2.120 2.904 0.024 16 0 "[ . 1 . 2]" 1
448 1 37 LEU MD1 1 38 ARG H 5.500 . 5.610 4.254 2.979 5.614 0.004 6 0 "[ . 1 . 2]" 1
449 1 37 LEU MD2 1 38 ARG H 5.500 . 5.610 4.568 3.219 5.472 . 0 0 "[ . 1 . 2]" 1
450 1 39 ARG H 1 40 THR H 4.480 . 4.570 2.798 2.188 3.933 . 0 0 "[ . 1 . 2]" 1
451 1 38 ARG HA 1 39 ARG H 3.090 . 3.150 2.479 2.177 2.864 . 0 0 "[ . 1 . 2]" 1
452 1 39 ARG HB2 1 40 THR H 5.450 . 5.560 3.560 2.229 4.439 . 0 0 "[ . 1 . 2]" 1
453 1 39 ARG HB3 1 40 THR H 5.450 . 5.560 3.828 2.650 4.652 . 0 0 "[ . 1 . 2]" 1
454 1 39 ARG HG3 1 40 THR H 4.870 . 4.970 4.377 3.901 4.999 0.029 11 0 "[ . 1 . 2]" 1
455 1 40 THR H 1 79 THR MG 5.330 . 5.440 5.338 4.765 5.452 0.012 20 0 "[ . 1 . 2]" 1
456 1 40 THR H 1 41 LEU H 4.720 . 4.810 4.388 3.740 4.574 . 0 0 "[ . 1 . 2]" 1
457 1 40 THR HA 1 41 LEU H 3.260 . 3.330 2.228 2.106 2.555 . 0 0 "[ . 1 . 2]" 1
458 1 40 THR HB 1 41 LEU H 3.560 . 3.630 3.473 2.201 3.656 0.026 10 0 "[ . 1 . 2]" 1
459 1 41 LEU H 1 41 LEU HB2 3.560 . 3.630 2.326 2.151 2.727 . 0 0 "[ . 1 . 2]" 1
460 1 40 THR MG 1 41 LEU H 4.040 . 4.120 3.789 3.229 4.039 . 0 0 "[ . 1 . 2]" 1
461 1 41 LEU H 1 41 LEU MD1 3.700 . 3.770 2.697 2.068 3.774 0.004 12 0 "[ . 1 . 2]" 1
462 1 41 LEU H 1 42 THR H 5.100 . 5.200 4.089 3.607 4.309 . 0 0 "[ . 1 . 2]" 1
463 1 42 THR H 1 45 GLN H 4.100 . 4.180 3.785 3.590 3.998 . 0 0 "[ . 1 . 2]" 1
464 1 41 LEU HA 1 42 THR H 2.850 . 2.910 2.232 2.168 2.364 . 0 0 "[ . 1 . 2]" 1
465 1 42 THR H 1 45 GLN HA 5.500 . 5.610 5.492 5.268 5.616 0.006 8 0 "[ . 1 . 2]" 1
466 1 42 THR H 1 45 GLN HB2 3.550 . 3.620 2.871 2.584 3.155 . 0 0 "[ . 1 . 2]" 1
467 1 41 LEU HB3 1 42 THR H 4.280 . 4.370 3.972 3.643 4.238 . 0 0 "[ . 1 . 2]" 1
468 1 42 THR H 1 42 THR MG 3.080 . 3.140 2.080 1.926 2.512 . 0 0 "[ . 1 . 2]" 1
469 1 41 LEU HG 1 42 THR H 4.870 . 4.970 4.454 4.024 4.715 . 0 0 "[ . 1 . 2]" 1
470 1 41 LEU MD1 1 42 THR H 5.130 . 5.230 4.319 3.890 4.504 . 0 0 "[ . 1 . 2]" 1
471 1 43 GLU H 1 44 GLU H 3.420 . 3.490 2.821 2.659 2.886 . 0 0 "[ . 1 . 2]" 1
472 1 44 GLU H 1 46 VAL H 4.410 . 4.500 3.983 3.807 4.187 . 0 0 "[ . 1 . 2]" 1
473 1 42 THR HA 1 44 GLU H 4.880 . 4.980 4.522 4.299 4.767 . 0 0 "[ . 1 . 2]" 1
474 1 44 GLU H 1 44 GLU HG2 3.830 . 3.910 3.350 3.051 3.790 . 0 0 "[ . 1 . 2]" 1
475 1 44 GLU H 1 44 GLU HG3 3.830 . 3.910 2.174 1.871 2.896 . 0 0 "[ . 1 . 2]" 1
476 1 44 GLU H 1 44 GLU HB3 4.170 . 4.250 3.591 3.559 3.624 . 0 0 "[ . 1 . 2]" 1
477 1 44 GLU H 1 45 GLN H 3.220 . 3.280 2.676 2.530 2.855 . 0 0 "[ . 1 . 2]" 1
478 1 45 GLN H 1 46 VAL H 3.290 . 3.360 2.566 2.468 2.640 . 0 0 "[ . 1 . 2]" 1
479 1 45 GLN H 1 45 GLN HB2 3.590 . 3.660 2.545 2.463 2.642 . 0 0 "[ . 1 . 2]" 1
480 1 41 LEU HB3 1 45 GLN H 5.500 . 5.610 5.078 4.459 5.623 0.013 6 0 "[ . 1 . 2]" 1
481 1 42 THR MG 1 45 GLN H 4.220 . 4.300 2.172 1.993 2.401 . 0 0 "[ . 1 . 2]" 1
482 1 42 THR MG 1 43 GLU H 3.870 . 3.950 3.144 2.679 3.496 . 0 0 "[ . 1 . 2]" 1
483 1 42 THR H 1 46 VAL H 4.820 . 4.920 4.662 4.518 4.910 . 0 0 "[ . 1 . 2]" 1
484 1 46 VAL H 1 47 GLN H 3.280 . 3.350 2.671 2.513 2.889 . 0 0 "[ . 1 . 2]" 1
485 1 43 GLU HA 1 46 VAL H 3.890 . 3.970 3.371 3.093 3.605 . 0 0 "[ . 1 . 2]" 1
486 1 46 VAL H 1 46 VAL HB 2.940 . 3.000 2.506 2.221 2.614 . 0 0 "[ . 1 . 2]" 1
487 1 46 VAL H 1 48 GLU HB3 5.500 . 5.610 4.714 4.396 5.423 . 0 0 "[ . 1 . 2]" 1
488 1 46 VAL H 1 49 VAL HB 5.500 . 5.610 5.390 5.222 5.561 . 0 0 "[ . 1 . 2]" 1
489 1 45 GLN HB2 1 46 VAL H 4.290 . 4.380 2.694 2.450 2.876 . 0 0 "[ . 1 . 2]" 1
490 1 41 LEU HB3 1 46 VAL H 4.250 . 4.340 3.709 3.005 4.349 0.009 2 0 "[ . 1 . 2]" 1
491 1 46 VAL H 1 46 VAL MG1 3.840 . 3.920 3.769 3.647 3.792 . 0 0 "[ . 1 . 2]" 1
492 1 46 VAL H 1 46 VAL MG2 3.840 . 3.920 2.149 1.973 2.578 . 0 0 "[ . 1 . 2]" 1
493 1 45 GLN H 1 47 GLN H 4.810 . 4.910 4.204 3.989 4.537 . 0 0 "[ . 1 . 2]" 1
494 1 47 GLN H 1 47 GLN HE21 5.220 . 5.320 4.532 3.358 5.038 . 0 0 "[ . 1 . 2]" 1
495 1 45 GLN HA 1 47 GLN H 4.840 . 4.940 4.517 4.233 4.772 . 0 0 "[ . 1 . 2]" 1
496 1 43 GLU HA 1 47 GLN H 4.480 . 4.570 4.009 3.602 4.259 . 0 0 "[ . 1 . 2]" 1
497 1 46 VAL HB 1 47 GLN H 3.070 . 3.130 2.481 2.363 2.633 . 0 0 "[ . 1 . 2]" 1
498 1 47 GLN H 1 47 GLN HB2 3.670 . 3.740 2.715 2.504 3.602 . 0 0 "[ . 1 . 2]" 1
499 1 46 VAL MG2 1 47 GLN H 4.000 . 4.080 3.788 3.684 3.974 . 0 0 "[ . 1 . 2]" 1
500 1 92 ALA HA 1 95 LEU H 3.910 . 3.990 3.627 3.281 3.787 . 0 0 "[ . 1 . 2]" 1
501 1 94 ARG HD2 1 95 LEU H 5.500 . 5.610 5.173 4.659 5.469 . 0 0 "[ . 1 . 2]" 1
502 1 94 ARG HD3 1 95 LEU H 5.500 . 5.610 5.094 4.771 5.653 0.043 6 0 "[ . 1 . 2]" 1
503 1 94 ARG HG2 1 95 LEU H 3.690 . 3.760 3.744 3.568 3.784 0.024 8 0 "[ . 1 . 2]" 1
504 1 95 LEU H 1 95 LEU HG 3.520 . 3.590 2.129 2.001 2.289 . 0 0 "[ . 1 . 2]" 1
505 1 50 VAL MG1 1 95 LEU H 4.190 . 4.270 2.569 2.028 3.175 . 0 0 "[ . 1 . 2]" 1
506 1 50 VAL MG2 1 95 LEU H 4.190 . 4.270 3.571 2.724 4.285 0.015 15 0 "[ . 1 . 2]" 1
507 1 95 LEU H 1 95 LEU MD1 4.230 . 4.310 3.734 3.616 3.863 . 0 0 "[ . 1 . 2]" 1
508 1 95 LEU H 1 95 LEU MD2 3.870 . 3.950 2.684 2.316 2.930 . 0 0 "[ . 1 . 2]" 1
509 1 47 GLN H 1 49 VAL H 4.980 . 5.080 4.236 3.969 4.359 . 0 0 "[ . 1 . 2]" 1
510 1 45 GLN HA 1 49 VAL H 4.520 . 4.610 4.011 3.831 4.112 . 0 0 "[ . 1 . 2]" 1
511 1 46 VAL HA 1 49 VAL H 4.180 . 4.260 3.443 3.229 3.743 . 0 0 "[ . 1 . 2]" 1
512 1 48 GLU HG2 1 49 VAL H 4.500 . 4.590 2.575 2.029 3.014 . 0 0 "[ . 1 . 2]" 1
513 1 48 GLU HB3 1 49 VAL H 3.300 . 3.370 2.923 2.754 3.393 0.023 5 0 "[ . 1 . 2]" 1
514 1 49 VAL H 1 49 VAL HB 3.410 . 3.480 2.568 2.517 2.631 . 0 0 "[ . 1 . 2]" 1
515 1 41 LEU MD2 1 49 VAL H 5.400 . 5.510 4.555 4.034 5.050 . 0 0 "[ . 1 . 2]" 1
516 1 45 GLN HB3 1 49 VAL H 5.220 . 5.320 4.878 4.719 5.003 . 0 0 "[ . 1 . 2]" 1
517 1 49 VAL H 1 51 ALA MB 5.000 . 5.100 4.611 4.463 4.770 . 0 0 "[ . 1 . 2]" 1
518 1 47 GLN HA 1 49 VAL H 5.110 . 5.210 4.504 4.205 4.675 . 0 0 "[ . 1 . 2]" 1
519 1 49 VAL H 1 50 VAL H 3.400 . 3.470 2.835 2.678 2.947 . 0 0 "[ . 1 . 2]" 1
520 1 46 VAL HA 1 50 VAL H 4.470 . 4.560 4.186 4.007 4.319 . 0 0 "[ . 1 . 2]" 1
521 1 50 VAL H 1 50 VAL HB 3.690 . 3.760 3.188 2.577 3.649 . 0 0 "[ . 1 . 2]" 1
522 1 50 VAL H 1 53 LEU HB2 5.350 . 5.460 4.471 4.328 4.618 . 0 0 "[ . 1 . 2]" 1
523 1 50 VAL H 1 51 ALA MB 4.650 . 4.740 4.293 4.202 4.404 . 0 0 "[ . 1 . 2]" 1
524 1 50 VAL H 1 50 VAL MG2 3.830 . 3.910 2.053 1.800 2.445 0.000 20 0 "[ . 1 . 2]" 1
525 1 50 VAL H 1 53 LEU HG 5.500 . 5.610 5.285 4.569 5.623 0.013 5 0 "[ . 1 . 2]" 1
526 1 51 ALA H 1 52 LYS H 3.510 . 3.580 2.698 2.589 2.804 . 0 0 "[ . 1 . 2]" 1
527 1 48 GLU HA 1 51 ALA H 3.820 . 3.900 3.351 3.092 3.575 . 0 0 "[ . 1 . 2]" 1
528 1 49 VAL HA 1 51 ALA H 5.220 . 5.320 4.373 4.199 4.440 . 0 0 "[ . 1 . 2]" 1
529 1 50 VAL HB 1 51 ALA H 3.890 . 3.970 3.421 2.634 3.981 0.011 1 0 "[ . 1 . 2]" 1
530 1 50 VAL MG1 1 51 ALA H 4.050 . 4.130 3.806 3.595 4.136 0.006 6 0 "[ . 1 . 2]" 1
531 1 50 VAL MG2 1 51 ALA H 4.050 . 4.130 2.941 2.164 3.882 . 0 0 "[ . 1 . 2]" 1
532 1 49 VAL HA 1 52 LYS H 4.190 . 4.270 3.647 3.349 3.917 . 0 0 "[ . 1 . 2]" 1
533 1 51 ALA MB 1 52 LYS H 3.460 . 3.530 2.501 2.379 2.659 . 0 0 "[ . 1 . 2]" 1
534 1 53 LEU H 1 54 THR H 3.520 . 3.590 2.649 2.053 2.816 . 0 0 "[ . 1 . 2]" 1
535 1 50 VAL HA 1 53 LEU H 4.030 . 4.110 3.107 2.801 3.332 . 0 0 "[ . 1 . 2]" 1
536 1 53 LEU H 1 53 LEU HB2 3.340 . 3.410 2.262 2.190 2.348 . 0 0 "[ . 1 . 2]" 1
537 1 53 LEU H 1 53 LEU MD1 4.380 . 4.470 4.074 3.832 4.328 . 0 0 "[ . 1 . 2]" 1
538 1 53 LEU H 1 53 LEU MD2 4.630 . 4.720 3.541 2.232 3.991 . 0 0 "[ . 1 . 2]" 1
539 1 53 LEU H 1 54 THR MG 5.040 . 5.140 4.343 3.958 5.198 0.058 13 0 "[ . 1 . 2]" 1
540 1 53 LEU H 1 55 ASP H 4.600 . 4.690 4.128 3.712 4.397 . 0 0 "[ . 1 . 2]" 1
541 1 55 ASP H 1 55 ASP HB2 3.850 . 3.930 2.636 2.245 3.001 . 0 0 "[ . 1 . 2]" 1
542 1 55 ASP H 1 55 ASP HB3 3.850 . 3.930 3.146 2.487 3.759 . 0 0 "[ . 1 . 2]" 1
543 1 54 THR MG 1 55 ASP H 5.380 . 5.490 3.759 2.858 4.422 . 0 0 "[ . 1 . 2]" 1
544 1 51 ALA HA 1 54 THR H 4.470 . 4.560 3.731 3.437 3.966 . 0 0 "[ . 1 . 2]" 1
545 1 53 LEU HB2 1 54 THR H 4.720 . 4.810 3.450 2.883 3.994 . 0 0 "[ . 1 . 2]" 1
546 1 53 LEU HB3 1 54 THR H 4.940 . 5.040 3.375 2.790 3.900 . 0 0 "[ . 1 . 2]" 1
547 1 53 LEU MD1 1 54 THR H 5.070 . 5.170 4.450 3.584 5.156 . 0 0 "[ . 1 . 2]" 1
548 1 53 LEU HG 1 54 THR H 5.500 . 5.610 5.158 4.791 5.621 0.011 2 0 "[ . 1 . 2]" 1
549 1 54 THR H 1 54 THR MG 3.840 . 3.920 2.491 2.090 3.617 . 0 0 "[ . 1 . 2]" 1
550 1 57 GLU H 1 58 SER H 3.170 . 3.230 2.582 1.980 3.027 . 0 0 "[ . 1 . 2]" 1
551 1 57 GLU H 1 57 GLU HB2 3.250 . 3.310 2.583 2.061 3.391 0.081 12 0 "[ . 1 . 2]" 1
552 1 57 GLU H 1 57 GLU HB3 3.250 . 3.310 2.645 2.378 3.313 0.003 15 0 "[ . 1 . 2]" 1
553 1 58 SER H 1 58 SER HB2 3.900 . 3.980 2.724 2.316 3.601 . 0 0 "[ . 1 . 2]" 1
554 1 58 SER H 1 58 SER HB3 3.900 . 3.980 2.838 2.500 3.600 . 0 0 "[ . 1 . 2]" 1
555 1 57 GLU HB2 1 58 SER H 4.600 . 4.690 3.710 2.801 4.061 . 0 0 "[ . 1 . 2]" 1
556 1 60 ALA H 1 61 GLN H 3.820 . 3.900 2.663 2.330 2.844 . 0 0 "[ . 1 . 2]" 1
557 1 59 SER HB2 1 60 ALA H 5.390 . 5.500 3.333 2.312 4.076 . 0 0 "[ . 1 . 2]" 1
558 1 59 SER HB3 1 60 ALA H 5.390 . 5.500 3.405 2.334 4.065 . 0 0 "[ . 1 . 2]" 1
559 1 60 ALA H 1 60 ALA MB 3.260 . 3.330 2.240 2.223 2.295 . 0 0 "[ . 1 . 2]" 1
560 1 59 SER HA 1 61 GLN H 4.700 . 4.790 4.087 3.692 4.660 . 0 0 "[ . 1 . 2]" 1
561 1 61 GLN H 1 62 ILE HA 4.990 . 5.090 4.914 4.603 5.096 0.006 6 0 "[ . 1 . 2]" 1
562 1 60 ALA MB 1 61 GLN H 4.150 . 4.230 2.865 2.505 3.282 . 0 0 "[ . 1 . 2]" 1
563 1 62 ILE H 1 63 ASP H 4.490 . 4.580 2.749 2.619 2.991 . 0 0 "[ . 1 . 2]" 1
564 1 61 GLN H 1 62 ILE H 3.900 . 3.980 2.351 1.954 2.644 . 0 0 "[ . 1 . 2]" 1
565 1 59 SER HA 1 62 ILE H 5.090 . 5.190 3.608 2.891 4.296 . 0 0 "[ . 1 . 2]" 1
566 1 62 ILE H 1 62 ILE HB 3.770 . 3.850 2.782 2.447 3.680 . 0 0 "[ . 1 . 2]" 1
567 1 62 ILE H 1 62 ILE HG13 4.540 . 4.630 2.689 1.803 3.639 . 0 0 "[ . 1 . 2]" 1
568 1 65 VAL H 1 66 VAL H 4.760 . 4.860 4.259 3.856 4.425 . 0 0 "[ . 1 . 2]" 1
569 1 64 GLY H 1 65 VAL H 4.480 . 4.570 2.460 2.162 2.590 . 0 0 "[ . 1 . 2]" 1
570 1 65 VAL H 1 65 VAL HB 3.800 . 3.880 3.493 2.763 3.890 0.010 11 0 "[ . 1 . 2]" 1
571 1 65 VAL HA 1 66 VAL H 3.370 . 3.440 2.286 2.146 2.570 . 0 0 "[ . 1 . 2]" 1
572 1 66 VAL H 1 66 VAL HB 3.820 . 3.900 2.980 2.601 3.419 . 0 0 "[ . 1 . 2]" 1
573 1 67 SER H 1 70 GLU HB3 4.280 . 4.370 2.966 2.328 3.468 . 0 0 "[ . 1 . 2]" 1
574 1 67 SER H 1 70 GLU HB2 5.010 . 5.110 4.594 4.001 5.110 0.000 10 0 "[ . 1 . 2]" 1
575 1 67 SER H 1 70 GLU H 4.870 . 4.970 3.671 3.188 3.994 . 0 0 "[ . 1 . 2]" 1
576 1 69 ASP H 1 70 GLU H 3.860 . 3.940 2.681 2.518 2.835 . 0 0 "[ . 1 . 2]" 1
577 1 70 GLU H 1 70 GLU HB3 3.410 . 3.480 2.465 2.350 2.558 . 0 0 "[ . 1 . 2]" 1
578 1 70 GLU H 1 70 GLU HG2 4.110 . 4.190 2.291 2.043 3.608 . 0 0 "[ . 1 . 2]" 1
579 1 70 GLU H 1 70 GLU HG3 4.110 . 4.190 3.551 3.349 4.103 . 0 0 "[ . 1 . 2]" 1
580 1 70 GLU H 1 71 ILE HB 5.500 . 5.610 5.033 4.758 5.237 . 0 0 "[ . 1 . 2]" 1
581 1 70 GLU H 1 72 GLU HG3 5.500 . 5.610 5.070 4.612 5.331 . 0 0 "[ . 1 . 2]" 1
582 1 70 GLU H 1 70 GLU HB2 3.980 . 4.060 3.586 3.546 3.636 . 0 0 "[ . 1 . 2]" 1
583 1 70 GLU H 1 71 ILE H 3.590 . 3.660 2.745 2.532 2.916 . 0 0 "[ . 1 . 2]" 1
584 1 70 GLU HB3 1 71 ILE H 3.980 . 4.060 3.944 3.780 4.067 0.007 9 0 "[ . 1 . 2]" 1
585 1 71 ILE H 1 71 ILE HB 3.190 . 3.250 2.582 2.456 2.724 . 0 0 "[ . 1 . 2]" 1
586 1 71 ILE H 1 71 ILE HG12 3.740 . 3.810 3.284 2.069 3.529 . 0 0 "[ . 1 . 2]" 1
587 1 70 GLU HB2 1 71 ILE H 4.470 . 4.560 3.859 3.585 4.018 . 0 0 "[ . 1 . 2]" 1
588 1 71 ILE H 1 71 ILE MG 3.920 . 4.000 3.779 3.740 3.793 . 0 0 "[ . 1 . 2]" 1
589 1 71 ILE H 1 71 ILE HG13 3.740 . 3.810 2.157 1.880 3.612 . 0 0 "[ . 1 . 2]" 1
590 1 71 ILE H 1 72 GLU H 3.480 . 3.550 2.750 2.609 2.967 . 0 0 "[ . 1 . 2]" 1
591 1 72 GLU H 1 73 LYS H 3.670 . 3.740 2.690 2.499 2.852 . 0 0 "[ . 1 . 2]" 1
592 1 70 GLU H 1 72 GLU H 5.090 . 5.190 4.503 4.215 4.802 . 0 0 "[ . 1 . 2]" 1
593 1 69 ASP HA 1 72 GLU H 4.360 . 4.450 3.448 3.134 3.818 . 0 0 "[ . 1 . 2]" 1
594 1 72 GLU H 1 72 GLU HG2 3.260 . 3.330 2.773 1.829 2.986 . 0 0 "[ . 1 . 2]" 1
595 1 71 ILE HB 1 72 GLU H 3.100 . 3.160 2.359 2.157 2.490 . 0 0 "[ . 1 . 2]" 1
596 1 72 GLU H 1 72 GLU HG3 3.390 . 3.460 1.970 1.793 2.757 0.007 18 0 "[ . 1 . 2]" 1
597 1 71 ILE MG 1 72 GLU H 3.830 . 3.910 3.259 2.932 3.530 . 0 0 "[ . 1 . 2]" 1
598 1 72 GLU H 1 88 ILE HG12 4.370 . 4.460 4.357 4.014 4.469 0.009 9 0 "[ . 1 . 2]" 1
599 1 70 GLU HA 1 72 GLU H 5.380 . 5.490 4.540 4.168 5.077 . 0 0 "[ . 1 . 2]" 1
600 1 70 GLU H 1 73 LYS H 5.380 . 5.490 4.890 4.569 5.354 . 0 0 "[ . 1 . 2]" 1
601 1 73 LYS H 1 74 PHE QD 5.500 . 5.610 4.185 3.763 4.580 . 0 0 "[ . 1 . 2]" 1
602 1 70 GLU HA 1 73 LYS H 4.390 . 4.480 3.436 3.044 4.024 . 0 0 "[ . 1 . 2]" 1
603 1 72 GLU HB2 1 73 LYS H 4.360 . 4.450 2.741 2.287 3.952 . 0 0 "[ . 1 . 2]" 1
604 1 72 GLU HG3 1 73 LYS H 4.110 . 4.190 3.656 2.213 4.008 . 0 0 "[ . 1 . 2]" 1
605 1 73 LYS H 1 74 PHE H 3.880 . 3.960 2.717 2.589 2.825 . 0 0 "[ . 1 . 2]" 1
606 1 74 PHE H 1 74 PHE QD 3.490 . 3.560 2.272 1.802 2.704 . 0 0 "[ . 1 . 2]" 1
607 1 74 PHE H 1 74 PHE HE1 5.500 . 5.610 4.855 4.230 6.543 0.933 18 2 "[ .- 1 . + 2]" 1
608 1 71 ILE HA 1 74 PHE H 4.810 . 4.910 3.713 3.561 3.818 . 0 0 "[ . 1 . 2]" 1
609 1 74 PHE H 1 74 PHE HB2 3.900 . 3.980 2.289 2.211 2.366 . 0 0 "[ . 1 . 2]" 1
610 1 74 PHE H 1 74 PHE HB3 3.900 . 3.980 3.558 3.514 3.586 . 0 0 "[ . 1 . 2]" 1
611 1 70 GLU HB2 1 74 PHE H 5.170 . 5.270 4.839 4.525 5.184 . 0 0 "[ . 1 . 2]" 1
612 1 71 ILE MG 1 74 PHE H 5.000 . 5.100 4.856 4.739 5.025 . 0 0 "[ . 1 . 2]" 1
613 1 53 LEU HG 1 74 PHE H 5.500 . 5.610 5.506 5.149 5.629 0.019 2 0 "[ . 1 . 2]" 1
614 1 53 LEU MD2 1 74 PHE H 5.060 . 5.160 3.865 3.573 4.361 . 0 0 "[ . 1 . 2]" 1
615 1 74 PHE H 1 75 ILE H 3.670 . 3.740 2.627 2.536 2.805 . 0 0 "[ . 1 . 2]" 1
616 1 74 PHE QD 1 75 ILE H 5.160 . 5.260 4.435 4.244 4.624 . 0 0 "[ . 1 . 2]" 1
617 1 72 GLU HA 1 75 ILE H 4.370 . 4.460 3.480 2.952 3.747 . 0 0 "[ . 1 . 2]" 1
618 1 71 ILE HA 1 75 ILE H 5.100 . 5.200 4.236 4.142 4.416 . 0 0 "[ . 1 . 2]" 1
619 1 74 PHE HB2 1 75 ILE H 4.470 . 4.560 2.935 2.775 3.134 . 0 0 "[ . 1 . 2]" 1
620 1 74 PHE HB3 1 75 ILE H 4.470 . 4.560 3.588 3.253 3.760 . 0 0 "[ . 1 . 2]" 1
621 1 75 ILE H 1 83 PRO HB3 4.620 . 4.710 4.622 4.233 4.724 0.014 4 0 "[ . 1 . 2]" 1
622 1 75 ILE H 1 75 ILE HB 3.140 . 3.200 2.482 2.417 2.578 . 0 0 "[ . 1 . 2]" 1
623 1 75 ILE H 1 76 ALA MB 4.490 . 4.580 4.367 4.279 4.449 . 0 0 "[ . 1 . 2]" 1
624 1 75 ILE H 1 75 ILE MD 3.700 . 3.770 3.559 3.457 3.645 . 0 0 "[ . 1 . 2]" 1
625 1 75 ILE H 1 75 ILE MG 3.900 . 3.980 3.773 3.753 3.802 . 0 0 "[ . 1 . 2]" 1
626 1 74 PHE H 1 76 ALA H 4.960 . 5.060 4.309 4.117 4.393 . 0 0 "[ . 1 . 2]" 1
627 1 75 ILE H 1 76 ALA H 3.410 . 3.480 2.724 2.630 2.815 . 0 0 "[ . 1 . 2]" 1
628 1 76 ALA H 1 77 ASP H 3.620 . 3.690 2.638 2.523 2.739 . 0 0 "[ . 1 . 2]" 1
629 1 76 ALA H 1 83 PRO HG3 4.170 . 4.250 3.548 2.799 4.028 . 0 0 "[ . 1 . 2]" 1
630 1 76 ALA H 1 83 PRO HB3 4.550 . 4.640 3.374 3.115 3.994 . 0 0 "[ . 1 . 2]" 1
631 1 75 ILE HB 1 76 ALA H 3.210 . 3.270 2.433 2.361 2.522 . 0 0 "[ . 1 . 2]" 1
632 1 75 ILE MG 1 76 ALA H 3.740 . 3.810 3.171 3.055 3.275 . 0 0 "[ . 1 . 2]" 1
633 1 75 ILE MD 1 76 ALA H 4.540 . 4.630 4.440 4.362 4.532 . 0 0 "[ . 1 . 2]" 1
634 1 74 PHE H 1 77 ASP H 5.330 . 5.440 4.746 4.539 5.043 . 0 0 "[ . 1 . 2]" 1
635 1 75 ILE H 1 77 ASP H 4.930 . 5.030 3.894 3.689 4.066 . 0 0 "[ . 1 . 2]" 1
636 1 74 PHE HA 1 77 ASP H 3.860 . 3.940 3.344 3.069 3.563 . 0 0 "[ . 1 . 2]" 1
637 1 77 ASP H 1 77 ASP HB2 3.570 . 3.640 2.484 2.295 2.599 . 0 0 "[ . 1 . 2]" 1
638 1 77 ASP H 1 78 VAL HB 5.300 . 5.410 5.094 4.948 5.198 . 0 0 "[ . 1 . 2]" 1
639 1 77 ASP H 1 78 VAL MG2 4.560 . 4.650 3.680 3.543 3.844 . 0 0 "[ . 1 . 2]" 1
640 1 78 VAL H 1 80 LYS H 4.320 . 4.410 3.246 3.075 3.415 . 0 0 "[ . 1 . 2]" 1
641 1 76 ALA HA 1 78 VAL H 4.700 . 4.790 3.802 3.695 3.903 . 0 0 "[ . 1 . 2]" 1
642 1 75 ILE HA 1 78 VAL H 4.390 . 4.480 3.661 3.413 3.916 . 0 0 "[ . 1 . 2]" 1
643 1 77 ASP HB2 1 78 VAL H 4.090 . 4.170 4.012 3.179 4.157 . 0 0 "[ . 1 . 2]" 1
644 1 77 ASP HB3 1 78 VAL H 4.090 . 4.170 3.020 2.883 3.852 . 0 0 "[ . 1 . 2]" 1
645 1 78 VAL H 1 78 VAL HB 3.140 . 3.200 2.639 2.591 2.670 . 0 0 "[ . 1 . 2]" 1
646 1 76 ALA MB 1 78 VAL H 4.800 . 4.900 4.400 4.329 4.481 . 0 0 "[ . 1 . 2]" 1
647 1 78 VAL H 1 78 VAL MG1 3.880 . 3.960 3.823 3.799 3.850 . 0 0 "[ . 1 . 2]" 1
648 1 79 THR H 1 80 LYS H 3.200 . 3.260 2.626 2.557 2.686 . 0 0 "[ . 1 . 2]" 1
649 1 79 THR H 1 81 ASP H 4.420 . 4.510 4.087 3.735 4.398 . 0 0 "[ . 1 . 2]" 1
650 1 77 ASP H 1 79 THR H 4.780 . 4.880 4.551 4.348 4.698 . 0 0 "[ . 1 . 2]" 1
651 1 78 VAL H 1 79 THR H 2.950 . 3.010 2.922 2.770 3.017 0.007 8 0 "[ . 1 . 2]" 1
652 1 76 ALA HA 1 79 THR H 4.550 . 4.640 4.482 4.078 4.646 0.006 4 0 "[ . 1 . 2]" 1
653 1 77 ASP HA 1 79 THR H 4.950 . 5.050 3.496 3.339 3.596 . 0 0 "[ . 1 . 2]" 1
654 1 78 VAL HA 1 79 THR H 3.150 . 3.210 2.894 2.786 3.051 . 0 0 "[ . 1 . 2]" 1
655 1 76 ALA MB 1 79 THR H 5.190 . 5.290 4.930 4.599 5.147 . 0 0 "[ . 1 . 2]" 1
656 1 78 VAL MG1 1 79 THR H 4.340 . 4.430 4.222 4.184 4.256 . 0 0 "[ . 1 . 2]" 1
657 1 80 LYS H 1 81 ASP H 3.530 . 3.600 2.498 2.383 2.646 . 0 0 "[ . 1 . 2]" 1
658 1 76 ALA HA 1 80 LYS H 4.220 . 4.300 3.058 2.755 3.287 . 0 0 "[ . 1 . 2]" 1
659 1 77 ASP HA 1 80 LYS H 5.240 . 5.340 5.158 4.850 5.353 0.013 14 0 "[ . 1 . 2]" 1
660 1 78 VAL HB 1 80 LYS H 4.240 . 4.320 3.506 3.270 3.692 . 0 0 "[ . 1 . 2]" 1
661 1 80 LYS H 1 80 LYS HB3 4.100 . 4.180 2.521 2.364 2.633 . 0 0 "[ . 1 . 2]" 1
662 1 80 LYS H 1 80 LYS HG2 4.920 . 5.020 4.660 4.614 4.712 . 0 0 "[ . 1 . 2]" 1
663 1 80 LYS H 1 80 LYS HG3 4.890 . 4.990 4.466 4.331 4.538 . 0 0 "[ . 1 . 2]" 1
664 1 75 ILE MG 1 80 LYS H 4.730 . 4.820 4.226 3.921 4.347 . 0 0 "[ . 1 . 2]" 1
665 1 78 VAL MG2 1 80 LYS H 5.390 . 5.500 4.490 4.397 4.658 . 0 0 "[ . 1 . 2]" 1
666 1 79 THR MG 1 80 LYS H 5.290 . 5.400 4.282 4.239 4.314 . 0 0 "[ . 1 . 2]" 1
667 1 81 ASP H 1 82 GLU H 4.360 . 4.450 3.638 2.812 3.908 . 0 0 "[ . 1 . 2]" 1
668 1 76 ALA HA 1 81 ASP H 3.810 . 3.890 2.489 2.139 3.076 . 0 0 "[ . 1 . 2]" 1
669 1 81 ASP H 1 81 ASP HB3 4.140 . 4.220 3.645 3.483 4.124 . 0 0 "[ . 1 . 2]" 1
670 1 90 ARG H 1 91 VAL H 3.110 . 3.170 2.791 2.727 2.828 . 0 0 "[ . 1 . 2]" 1
671 1 91 VAL H 1 91 VAL HB 3.050 . 3.110 2.538 2.484 2.630 . 0 0 "[ . 1 . 2]" 1
672 1 91 VAL H 1 91 VAL MG2 3.110 . 3.170 2.040 1.926 2.112 . 0 0 "[ . 1 . 2]" 1
673 1 82 GLU H 1 83 PRO HD2 4.880 . 4.980 4.709 3.963 4.985 0.005 7 0 "[ . 1 . 2]" 1
674 1 82 GLU H 1 83 PRO HD3 4.880 . 4.980 3.848 2.895 4.132 . 0 0 "[ . 1 . 2]" 1
675 1 81 ASP HB2 1 82 GLU H 4.280 . 4.370 3.650 2.340 4.298 . 0 0 "[ . 1 . 2]" 1
676 1 81 ASP HB3 1 82 GLU H 4.190 . 4.270 2.331 1.936 3.476 . 0 0 "[ . 1 . 2]" 1
677 1 83 PRO HA 1 84 THR H 3.120 . 3.180 2.234 2.170 2.372 . 0 0 "[ . 1 . 2]" 1
678 1 84 THR H 1 84 THR HB 3.450 . 3.520 2.881 2.700 3.280 . 0 0 "[ . 1 . 2]" 1
679 1 84 THR H 1 87 ASP HB2 4.640 . 4.730 2.986 2.549 4.308 . 0 0 "[ . 1 . 2]" 1
680 1 84 THR H 1 87 ASP HB3 4.640 . 4.730 4.269 3.928 4.574 . 0 0 "[ . 1 . 2]" 1
681 1 84 THR H 1 86 GLN HB3 5.390 . 5.500 4.738 4.341 5.156 . 0 0 "[ . 1 . 2]" 1
682 1 84 THR H 1 84 THR MG 3.260 . 3.330 2.050 1.943 2.323 . 0 0 "[ . 1 . 2]" 1
683 1 75 ILE MG 1 84 THR H 4.270 . 4.360 3.885 3.460 4.302 . 0 0 "[ . 1 . 2]" 1
684 1 75 ILE MD 1 84 THR H 4.830 . 4.930 4.424 3.999 4.787 . 0 0 "[ . 1 . 2]" 1
685 1 84 THR H 1 85 ALA H 5.030 . 5.130 4.521 4.396 4.579 . 0 0 "[ . 1 . 2]" 1
686 1 84 THR HA 1 85 ALA H 2.940 . 3.000 2.443 2.337 2.522 . 0 0 "[ . 1 . 2]" 1
687 1 85 ALA H 1 85 ALA MB 2.960 . 3.020 2.228 2.219 2.236 . 0 0 "[ . 1 . 2]" 1
688 1 84 THR MG 1 85 ALA H 4.050 . 4.130 3.269 3.052 3.528 . 0 0 "[ . 1 . 2]" 1
689 1 85 ALA H 1 88 ILE MD 4.550 . 4.640 3.941 3.780 4.094 . 0 0 "[ . 1 . 2]" 1
690 1 85 ALA H 1 86 GLN H 3.830 . 3.910 2.767 2.723 2.834 . 0 0 "[ . 1 . 2]" 1
691 1 86 GLN H 1 88 ILE H 5.000 . 5.100 4.255 4.188 4.369 . 0 0 "[ . 1 . 2]" 1
692 1 84 THR HB 1 86 GLN H 4.310 . 4.400 4.378 4.268 4.407 0.007 10 0 "[ . 1 . 2]" 1
693 1 86 GLN H 1 86 GLN HB3 3.380 . 3.450 2.478 2.356 2.627 . 0 0 "[ . 1 . 2]" 1
694 1 86 GLN H 1 86 GLN HB2 3.550 . 3.620 2.574 2.460 2.697 . 0 0 "[ . 1 . 2]" 1
695 1 85 ALA MB 1 86 GLN H 3.410 . 3.480 2.732 2.653 2.846 . 0 0 "[ . 1 . 2]" 1
696 1 86 GLN H 1 88 ILE MD 5.300 . 5.410 4.671 4.440 5.106 . 0 0 "[ . 1 . 2]" 1
697 1 84 THR H 1 87 ASP H 4.320 . 4.410 3.435 3.214 3.603 . 0 0 "[ . 1 . 2]" 1
698 1 85 ALA H 1 87 ASP H 5.290 . 5.400 4.510 4.254 4.778 . 0 0 "[ . 1 . 2]" 1
699 1 86 GLN H 1 87 ASP H 3.450 . 3.520 2.770 2.627 2.836 . 0 0 "[ . 1 . 2]" 1
700 1 87 ASP H 1 88 ILE HA 5.440 . 5.550 5.308 5.167 5.416 . 0 0 "[ . 1 . 2]" 1
701 1 87 ASP H 1 87 ASP HB2 3.750 . 3.820 2.645 2.462 3.602 . 0 0 "[ . 1 . 2]" 1
702 1 87 ASP H 1 87 ASP HB3 3.750 . 3.820 3.584 2.978 3.637 . 0 0 "[ . 1 . 2]" 1
703 1 86 GLN HB3 1 87 ASP H 3.650 . 3.720 2.403 2.276 2.610 . 0 0 "[ . 1 . 2]" 1
704 1 86 GLN HB2 1 87 ASP H 3.800 . 3.880 3.789 3.646 3.880 0.000 19 0 "[ . 1 . 2]" 1
705 1 85 ALA MB 1 87 ASP H 5.170 . 5.270 4.775 4.582 4.948 . 0 0 "[ . 1 . 2]" 1
706 1 84 THR MG 1 87 ASP H 4.270 . 4.360 2.107 1.800 2.412 0.000 12 0 "[ . 1 . 2]" 1
707 1 75 ILE MG 1 87 ASP H 4.990 . 5.090 4.863 4.570 5.089 . 0 0 "[ . 1 . 2]" 1
708 1 87 ASP H 1 88 ILE MD 4.860 . 4.960 3.824 3.548 4.960 . 0 0 "[ . 1 . 2]" 1
709 1 75 ILE MD 1 87 ASP H 4.950 . 5.050 4.397 4.213 4.554 . 0 0 "[ . 1 . 2]" 1
710 1 84 THR H 1 88 ILE H 5.380 . 5.490 4.300 3.530 4.584 . 0 0 "[ . 1 . 2]" 1
711 1 88 ILE H 1 89 SER H 3.420 . 3.490 2.762 2.720 2.847 . 0 0 "[ . 1 . 2]" 1
712 1 87 ASP H 1 88 ILE H 3.200 . 3.260 2.722 2.546 2.863 . 0 0 "[ . 1 . 2]" 1
713 1 85 ALA HA 1 88 ILE H 3.890 . 3.970 3.519 3.289 3.793 . 0 0 "[ . 1 . 2]" 1
714 1 87 ASP HB2 1 88 ILE H 3.960 . 4.040 2.399 2.248 3.369 . 0 0 "[ . 1 . 2]" 1
715 1 87 ASP HB3 1 88 ILE H 3.960 . 4.040 3.527 3.351 4.057 0.017 15 0 "[ . 1 . 2]" 1
716 1 88 ILE H 1 88 ILE HB 2.980 . 3.040 2.426 2.400 2.480 . 0 0 "[ . 1 . 2]" 1
717 1 88 ILE H 1 88 ILE HG13 3.490 . 3.560 3.397 2.005 3.568 0.008 17 0 "[ . 1 . 2]" 1
718 1 86 GLN HB3 1 88 ILE H 5.300 . 5.410 4.990 4.788 5.185 . 0 0 "[ . 1 . 2]" 1
719 1 75 ILE MD 1 88 ILE H 3.380 . 3.450 3.039 2.750 3.171 . 0 0 "[ . 1 . 2]" 1
720 1 85 ALA MB 1 88 ILE H 4.920 . 5.020 4.769 4.610 4.967 . 0 0 "[ . 1 . 2]" 1
721 1 89 SER H 1 89 SER HB2 3.370 . 3.440 2.526 2.434 2.621 . 0 0 "[ . 1 . 2]" 1
722 1 89 SER H 1 89 SER HB3 3.520 . 3.590 2.570 2.491 2.640 . 0 0 "[ . 1 . 2]" 1
723 1 88 ILE HB 1 89 SER H 3.420 . 3.490 2.785 2.585 2.901 . 0 0 "[ . 1 . 2]" 1
724 1 85 ALA MB 1 89 SER H 4.700 . 4.790 4.316 4.118 4.452 . 0 0 "[ . 1 . 2]" 1
725 1 89 SER H 1 92 ALA MB 5.170 . 5.270 4.518 4.400 4.658 . 0 0 "[ . 1 . 2]" 1
726 1 88 ILE MG 1 89 SER H 3.830 . 3.910 3.212 3.089 3.356 . 0 0 "[ . 1 . 2]" 1
727 1 75 ILE MD 1 89 SER H 4.990 . 5.090 4.743 4.619 4.896 . 0 0 "[ . 1 . 2]" 1
728 1 89 SER H 1 90 ARG H 3.710 . 3.780 2.756 2.699 2.815 . 0 0 "[ . 1 . 2]" 1
729 1 87 ASP HA 1 90 ARG H 3.900 . 3.980 3.601 3.293 3.888 . 0 0 "[ . 1 . 2]" 1
730 1 90 ARG H 1 90 ARG HD2 5.010 . 5.110 3.673 2.355 4.776 . 0 0 "[ . 1 . 2]" 1
731 1 90 ARG H 1 90 ARG HD3 5.010 . 5.110 3.734 2.113 4.845 . 0 0 "[ . 1 . 2]" 1
732 1 75 ILE MD 1 90 ARG H 5.500 . 5.610 5.233 5.034 5.467 . 0 0 "[ . 1 . 2]" 1
733 1 91 VAL H 1 92 ALA H 3.380 . 3.450 2.822 2.787 2.868 . 0 0 "[ . 1 . 2]" 1
734 1 90 ARG H 1 92 ALA H 4.680 . 4.770 4.227 4.085 4.379 . 0 0 "[ . 1 . 2]" 1
735 1 42 THR HA 1 43 GLU H 3.030 . 3.090 2.556 2.464 2.658 . 0 0 "[ . 1 . 2]" 1
736 1 89 SER HA 1 92 ALA H 4.160 . 4.240 3.820 3.620 4.059 . 0 0 "[ . 1 . 2]" 1
737 1 91 VAL HB 1 92 ALA H 3.290 . 3.360 2.430 2.355 2.555 . 0 0 "[ . 1 . 2]" 1
738 1 71 ILE MG 1 92 ALA H 3.850 . 3.930 3.432 3.034 3.737 . 0 0 "[ . 1 . 2]" 1
739 1 91 VAL MG1 1 92 ALA H 3.600 . 3.670 3.250 3.164 3.334 . 0 0 "[ . 1 . 2]" 1
740 1 92 ALA H 1 93 SER H 3.220 . 3.280 2.702 2.666 2.730 . 0 0 "[ . 1 . 2]" 1
741 1 91 VAL H 1 93 SER H 4.200 . 4.280 4.108 4.025 4.223 . 0 0 "[ . 1 . 2]" 1
742 1 93 SER H 1 94 ARG H 3.190 . 3.250 2.648 2.550 2.731 . 0 0 "[ . 1 . 2]" 1
743 1 93 SER H 1 93 SER HA 2.930 . 2.990 2.817 2.799 2.838 . 0 0 "[ . 1 . 2]" 1
744 1 93 SER H 1 93 SER HB3 3.500 . 3.570 2.930 2.449 3.582 0.012 6 0 "[ . 1 . 2]" 1
745 1 91 VAL HA 1 93 SER H 4.930 . 5.030 4.365 4.250 4.481 . 0 0 "[ . 1 . 2]" 1
746 1 90 ARG HB2 1 93 SER H 5.500 . 5.610 5.457 5.289 5.577 . 0 0 "[ . 1 . 2]" 1
747 1 90 ARG HB3 1 93 SER H 5.500 . 5.610 5.358 5.152 5.611 0.001 11 0 "[ . 1 . 2]" 1
748 1 93 SER H 1 94 ARG HG2 4.860 . 4.960 4.055 3.930 4.217 . 0 0 "[ . 1 . 2]" 1
749 1 92 ALA MB 1 93 SER H 3.000 . 3.060 2.630 2.565 2.716 . 0 0 "[ . 1 . 2]" 1
750 1 92 ALA H 1 94 ARG H 4.850 . 4.950 4.171 4.116 4.214 . 0 0 "[ . 1 . 2]" 1
751 1 94 ARG H 1 95 LEU H 3.160 . 3.220 2.797 2.632 2.916 . 0 0 "[ . 1 . 2]" 1
752 1 93 SER HB3 1 94 ARG H 4.040 . 4.120 3.240 2.532 4.123 0.003 10 0 "[ . 1 . 2]" 1
753 1 91 VAL HA 1 94 ARG H 4.000 . 4.080 3.450 3.353 3.573 . 0 0 "[ . 1 . 2]" 1
754 1 94 ARG H 1 94 ARG HB3 3.650 . 3.720 3.624 3.607 3.637 . 0 0 "[ . 1 . 2]" 1
755 1 94 ARG H 1 94 ARG HG2 3.540 . 3.610 2.017 1.878 2.116 . 0 0 "[ . 1 . 2]" 1
756 1 94 ARG H 1 95 LEU HG 4.470 . 4.560 4.005 3.840 4.102 . 0 0 "[ . 1 . 2]" 1
757 1 91 VAL MG1 1 94 ARG H 5.220 . 5.320 4.580 4.466 4.687 . 0 0 "[ . 1 . 2]" 1
758 1 48 GLU H 1 49 VAL H 3.300 . 3.370 2.721 2.566 2.841 . 0 0 "[ . 1 . 2]" 1
759 1 48 GLU H 1 50 VAL H 4.790 . 4.890 4.213 4.009 4.387 . 0 0 "[ . 1 . 2]" 1
760 1 47 GLN H 1 48 GLU H 3.260 . 3.330 2.613 2.531 2.723 . 0 0 "[ . 1 . 2]" 1
761 1 45 GLN HA 1 48 GLU H 3.740 . 3.810 3.312 3.026 3.590 . 0 0 "[ . 1 . 2]" 1
762 1 48 GLU H 1 48 GLU HB3 2.650 . 2.700 2.131 2.074 2.204 . 0 0 "[ . 1 . 2]" 1
763 1 45 GLN HB2 1 48 GLU H 5.500 . 5.610 5.382 5.185 5.550 . 0 0 "[ . 1 . 2]" 1
764 1 45 GLN HB3 1 48 GLU H 5.500 . 5.610 5.234 4.956 5.472 . 0 0 "[ . 1 . 2]" 1
765 1 48 GLU H 1 51 ALA MB 4.840 . 4.940 4.380 4.231 4.591 . 0 0 "[ . 1 . 2]" 1
766 1 48 GLU H 1 49 VAL MG2 4.490 . 4.580 4.190 4.046 4.298 . 0 0 "[ . 1 . 2]" 1
767 1 95 LEU H 1 96 ALA H 3.250 . 3.310 2.740 2.607 2.900 . 0 0 "[ . 1 . 2]" 1
768 1 96 ALA H 1 98 GLY H 4.860 . 4.960 3.654 3.447 4.074 . 0 0 "[ . 1 . 2]" 1
769 1 94 ARG H 1 96 ALA H 4.530 . 4.620 3.908 3.688 4.106 . 0 0 "[ . 1 . 2]" 1
770 1 92 ALA HA 1 96 ALA H 4.210 . 4.290 3.849 3.764 4.106 . 0 0 "[ . 1 . 2]" 1
771 1 96 ALA H 1 96 ALA MB 2.730 . 2.780 2.259 2.224 2.276 . 0 0 "[ . 1 . 2]" 1
772 1 95 LEU MD1 1 96 ALA H 4.210 . 4.290 3.035 2.595 4.299 0.009 15 0 "[ . 1 . 2]" 1
773 1 95 LEU MD2 1 96 ALA H 4.740 . 4.830 4.107 4.013 4.431 . 0 0 "[ . 1 . 2]" 1
774 1 96 ALA H 1 97 ALA H 3.190 . 3.250 2.640 2.421 2.828 . 0 0 "[ . 1 . 2]" 1
775 1 97 ALA H 1 98 GLY H 3.130 . 3.190 2.466 2.357 2.773 . 0 0 "[ . 1 . 2]" 1
776 1 94 ARG H 1 97 ALA H 5.070 . 5.170 4.650 4.306 4.959 . 0 0 "[ . 1 . 2]" 1
777 1 97 ALA H 1 97 ALA MB 2.570 . 2.620 2.252 2.219 2.275 . 0 0 "[ . 1 . 2]" 1
778 1 88 ILE H 1 88 ILE MD 3.330 . 3.400 2.045 1.867 3.323 . 0 0 "[ . 1 . 2]" 1
779 1 103 ALA HA 1 104 GLY H 3.150 . 3.210 2.422 2.158 3.213 0.003 1 0 "[ . 1 . 2]" 1
780 1 103 ALA MB 1 104 GLY H 3.870 . 3.950 3.133 1.886 3.682 . 0 0 "[ . 1 . 2]" 1
781 1 104 GLY H 1 105 VAL MG1 5.500 . 5.610 3.725 2.838 5.238 . 0 0 "[ . 1 . 2]" 1
782 1 104 GLY H 1 105 VAL MG2 5.500 . 5.610 3.786 2.781 5.490 . 0 0 "[ . 1 . 2]" 1
783 1 104 GLY H 1 105 VAL H 3.700 . 3.770 2.624 1.930 3.648 . 0 0 "[ . 1 . 2]" 1
784 1 103 ALA HA 1 105 VAL H 4.450 . 4.540 3.982 3.180 4.550 0.010 4 0 "[ . 1 . 2]" 1
785 1 105 VAL H 1 105 VAL HB 3.400 . 3.470 3.479 3.026 3.523 0.053 16 0 "[ . 1 . 2]" 1
786 1 103 ALA MB 1 105 VAL H 5.140 . 5.240 4.113 2.686 5.135 . 0 0 "[ . 1 . 2]" 1
787 1 105 VAL H 1 105 VAL MG1 4.460 . 4.550 2.587 2.149 4.092 . 0 0 "[ . 1 . 2]" 1
788 1 105 VAL H 1 105 VAL MG2 4.460 . 4.550 2.260 1.810 4.063 . 0 0 "[ . 1 . 2]" 1
789 1 105 VAL H 1 106 ASP H 4.840 . 4.940 3.890 2.500 4.597 . 0 0 "[ . 1 . 2]" 1
790 1 105 VAL HA 1 106 ASP H 3.460 . 3.530 2.488 2.127 3.562 0.032 4 0 "[ . 1 . 2]" 1
791 1 106 ASP H 1 106 ASP HB3 4.090 . 4.170 3.293 2.468 3.862 . 0 0 "[ . 1 . 2]" 1
792 1 106 ASP H 1 106 ASP HB2 4.090 . 4.170 2.817 2.355 3.874 . 0 0 "[ . 1 . 2]" 1
793 1 105 VAL HB 1 106 ASP H 4.610 . 4.700 3.706 1.977 4.438 . 0 0 "[ . 1 . 2]" 1
794 1 106 ASP H 1 109 ALA MB 5.490 . 5.600 4.428 2.548 5.435 . 0 0 "[ . 1 . 2]" 1
795 1 105 VAL MG1 1 106 ASP H 4.680 . 4.770 3.911 2.353 4.373 . 0 0 "[ . 1 . 2]" 1
796 1 105 VAL MG2 1 106 ASP H 4.680 . 4.770 3.517 1.799 4.347 0.001 4 0 "[ . 1 . 2]" 1
797 1 108 THR H 1 108 THR MG 3.780 . 3.860 2.628 1.960 3.773 . 0 0 "[ . 1 . 2]" 1
798 1 106 ASP HB3 1 108 THR H 5.360 . 5.470 3.728 2.542 4.858 . 0 0 "[ . 1 . 2]" 1
799 1 106 ASP HB2 1 108 THR H 5.360 . 5.470 4.368 2.648 5.479 0.009 4 0 "[ . 1 . 2]" 1
800 1 108 THR HA 1 109 ALA H 3.510 . 3.580 3.455 3.217 3.556 . 0 0 "[ . 1 . 2]" 1
801 1 109 ALA H 1 109 ALA MB 2.860 . 2.920 2.329 2.246 2.565 . 0 0 "[ . 1 . 2]" 1
802 1 108 THR MG 1 109 ALA H 4.440 . 4.530 3.393 2.354 4.288 . 0 0 "[ . 1 . 2]" 1
803 1 109 ALA HA 1 110 LEU H 3.220 . 3.280 3.087 2.700 3.278 . 0 0 "[ . 1 . 2]" 1
804 1 109 ALA MB 1 110 LEU H 3.740 . 3.810 3.459 3.177 3.691 . 0 0 "[ . 1 . 2]" 1
805 1 110 LEU H 1 111 ASN H 4.180 . 4.260 3.023 1.797 4.289 0.029 20 0 "[ . 1 . 2]" 1
806 1 111 ASN H 1 112 ALA H 4.740 . 4.830 3.231 2.070 4.156 . 0 0 "[ . 1 . 2]" 1
807 1 110 LEU HA 1 111 ASN H 3.560 . 3.630 2.806 2.071 3.548 . 0 0 "[ . 1 . 2]" 1
808 1 110 LEU HB2 1 111 ASN H 4.820 . 4.920 4.039 2.614 4.613 . 0 0 "[ . 1 . 2]" 1
809 1 110 LEU HB3 1 111 ASN H 4.820 . 4.920 3.749 1.831 4.476 . 0 0 "[ . 1 . 2]" 1
810 1 110 LEU HG 1 111 ASN H 5.350 . 5.460 4.597 2.524 5.482 0.022 10 0 "[ . 1 . 2]" 1
811 1 111 ASN H 1 112 ALA MB 5.100 . 5.200 4.341 3.416 5.051 . 0 0 "[ . 1 . 2]" 1
812 1 110 LEU HA 1 112 ALA H 5.050 . 5.150 4.647 3.542 5.159 0.009 15 0 "[ . 1 . 2]" 1
813 1 111 ASN HB3 1 112 ALA H 5.080 . 5.180 3.805 1.979 4.572 . 0 0 "[ . 1 . 2]" 1
814 1 111 ASN HB2 1 112 ALA H 5.080 . 5.180 4.103 2.628 4.600 . 0 0 "[ . 1 . 2]" 1
815 1 45 GLN HE21 1 78 VAL MG1 4.290 . 4.380 3.264 1.808 4.388 0.008 5 0 "[ . 1 . 2]" 1
816 1 45 GLN HE22 1 78 VAL MG1 4.290 . 4.380 3.354 2.588 4.370 . 0 0 "[ . 1 . 2]" 1
817 1 43 GLU HA 1 47 GLN HE21 5.500 . 5.610 4.929 3.951 5.616 0.006 9 0 "[ . 1 . 2]" 1
818 1 44 GLU HA 1 47 GLN HE21 5.500 . 5.610 4.650 2.425 5.614 0.004 19 0 "[ . 1 . 2]" 1
819 1 100 TRP H 1 100 TRP HB2 3.810 . 3.890 2.670 2.162 3.779 . 0 0 "[ . 1 . 2]" 1
820 1 100 TRP H 1 100 TRP HB3 3.810 . 3.890 3.420 2.658 3.714 . 0 0 "[ . 1 . 2]" 1
821 1 13 GLU H 1 13 GLU QG 4.830 . 4.930 3.195 2.161 4.202 . 0 0 "[ . 1 . 2]" 1
822 1 18 GLY QA 1 19 PRO QD 2.690 . 2.740 2.021 1.888 2.110 . 0 0 "[ . 1 . 2]" 1
823 1 19 PRO QD 1 22 PRO QB 5.180 . 5.280 4.134 2.578 5.018 . 0 0 "[ . 1 . 2]" 1
824 1 19 PRO QD 1 22 PRO QG 3.130 . 3.190 2.863 2.116 3.197 0.007 15 0 "[ . 1 . 2]" 1
825 1 19 PRO QD 1 32 PRO QB 3.830 . 3.910 3.496 2.036 3.922 0.012 17 0 "[ . 1 . 2]" 1
826 1 19 PRO QD 1 32 PRO QG 3.090 . 3.150 2.684 1.902 3.158 0.008 15 0 "[ . 1 . 2]" 1
827 1 21 SER H 1 22 PRO QD 4.480 . 4.570 2.721 1.786 3.992 0.014 3 0 "[ . 1 . 2]" 1
828 1 23 GLU H 1 23 GLU QB 3.180 . 3.240 2.628 2.383 3.224 . 0 0 "[ . 1 . 2]" 1
829 1 23 GLU QB 1 24 GLY H 4.240 . 4.320 3.158 2.523 3.873 . 0 0 "[ . 1 . 2]" 1
830 1 23 GLU QB 1 24 GLY QA 4.400 . 4.490 3.902 3.506 4.293 . 0 0 "[ . 1 . 2]" 1
831 1 25 VAL HA 1 26 PRO QD 2.820 . 2.880 1.987 1.798 2.143 0.002 1 0 "[ . 1 . 2]" 1
832 1 25 VAL HB 1 26 PRO QD 3.390 . 3.460 2.590 2.134 3.504 0.044 17 0 "[ . 1 . 2]" 1
833 1 25 VAL QG 1 26 PRO QD 3.310 . 3.380 2.759 1.789 3.173 0.011 15 0 "[ . 1 . 2]" 1
834 1 29 ASP H 1 29 ASP QB 3.580 . 3.650 2.425 2.238 2.829 . 0 0 "[ . 1 . 2]" 1
835 1 29 ASP H 1 30 ARG QB 4.870 . 4.970 4.633 4.051 4.985 0.015 14 0 "[ . 1 . 2]" 1
836 1 29 ASP QB 1 30 ARG H 4.380 . 4.470 3.037 2.115 3.806 . 0 0 "[ . 1 . 2]" 1
837 1 30 ARG H 1 30 ARG QB 3.410 . 3.480 2.531 2.256 3.014 . 0 0 "[ . 1 . 2]" 1
838 1 30 ARG H 1 30 ARG QG 4.500 . 4.590 3.115 1.877 4.434 . 0 0 "[ . 1 . 2]" 1
839 1 30 ARG HA 1 30 ARG QD 4.640 . 4.730 3.228 1.809 4.438 . 0 0 "[ . 1 . 2]" 1
840 1 31 PHE H 1 31 PHE QB 3.220 . 3.280 2.543 2.353 3.308 0.028 14 0 "[ . 1 . 2]" 1
841 1 31 PHE H 1 32 PRO QD 4.480 . 4.570 4.184 2.439 4.454 . 0 0 "[ . 1 . 2]" 1
842 1 31 PHE QB 1 32 PRO QD 3.520 . 3.590 2.517 2.000 3.604 0.014 15 0 "[ . 1 . 2]" 1
843 1 31 PHE QB 1 33 LEU H 4.230 . 4.310 2.749 2.325 3.157 . 0 0 "[ . 1 . 2]" 1
844 1 31 PHE QB 1 33 LEU QB 4.450 . 4.540 3.595 2.848 4.519 . 0 0 "[ . 1 . 2]" 1
845 1 31 PHE QB 1 33 LEU QD 4.440 . 4.530 3.331 1.907 4.507 . 0 0 "[ . 1 . 2]" 1
846 1 32 PRO QB 1 33 LEU H 3.890 . 3.970 3.460 2.637 3.975 0.005 9 0 "[ . 1 . 2]" 1
847 1 32 PRO QG 1 33 LEU H 4.320 . 4.410 3.340 2.417 4.413 0.003 20 0 "[ . 1 . 2]" 1
848 1 32 PRO QG 1 33 LEU QD 4.250 . 4.340 2.817 1.799 4.351 0.011 15 0 "[ . 1 . 2]" 1
849 1 33 LEU H 1 33 LEU QB 3.040 . 3.100 2.548 2.350 3.117 0.017 6 0 "[ . 1 . 2]" 1
850 1 33 LEU H 1 33 LEU QD 4.400 . 4.490 2.474 1.785 3.510 0.015 11 0 "[ . 1 . 2]" 1
851 1 33 LEU HA 1 34 LEU QD 3.930 . 4.010 3.106 2.437 4.021 0.011 1 0 "[ . 1 . 2]" 1
852 1 33 LEU QB 1 34 LEU H 3.130 . 3.190 2.984 2.188 3.222 0.032 1 0 "[ . 1 . 2]" 1
853 1 33 LEU QB 1 35 ALA H 4.250 . 4.340 3.487 2.592 4.350 0.010 15 0 "[ . 1 . 2]" 1
854 1 34 LEU H 1 34 LEU QD 3.950 . 4.030 2.156 1.787 2.938 0.013 5 0 "[ . 1 . 2]" 1
855 1 34 LEU H 1 36 LEU QD 5.160 . 5.260 4.544 3.008 5.263 0.003 12 0 "[ . 1 . 2]" 1
856 1 34 LEU HA 1 34 LEU QD 3.690 . 3.760 2.534 1.890 3.429 . 0 0 "[ . 1 . 2]" 1
857 1 34 LEU HA 1 36 LEU QD 3.900 . 3.980 3.289 2.588 3.984 0.004 1 0 "[ . 1 . 2]" 1
858 1 34 LEU QD 1 35 ALA H 4.510 . 4.600 3.646 1.803 4.419 . 0 0 "[ . 1 . 2]" 1
859 1 35 ALA H 1 36 LEU QD 5.310 . 5.420 3.445 2.123 4.618 . 0 0 "[ . 1 . 2]" 1
860 1 36 LEU H 1 36 LEU QD 4.640 . 4.730 2.263 1.796 3.319 0.004 15 0 "[ . 1 . 2]" 1
861 1 37 LEU HA 1 38 ARG QG 4.290 . 4.380 4.161 3.622 4.389 0.009 16 0 "[ . 1 . 2]" 1
862 1 38 ARG H 1 38 ARG QB 2.920 . 2.980 2.603 2.421 2.864 . 0 0 "[ . 1 . 2]" 1
863 1 38 ARG H 1 38 ARG QD 5.030 . 5.130 4.140 3.627 4.818 . 0 0 "[ . 1 . 2]" 1
864 1 38 ARG HA 1 38 ARG QD 3.940 . 4.020 2.308 1.964 3.881 . 0 0 "[ . 1 . 2]" 1
865 1 38 ARG QB 1 39 ARG H 3.900 . 3.980 2.593 1.841 3.889 . 0 0 "[ . 1 . 2]" 1
866 1 38 ARG QD 1 39 ARG H 4.270 . 4.360 3.700 3.111 4.384 0.024 17 0 "[ . 1 . 2]" 1
867 1 39 ARG H 1 39 ARG QB 3.260 . 3.330 2.517 2.004 3.371 0.041 19 0 "[ . 1 . 2]" 1
868 1 39 ARG HA 1 39 ARG QG 3.640 . 3.710 2.709 2.336 3.364 . 0 0 "[ . 1 . 2]" 1
869 1 39 ARG HA 1 39 ARG QD 4.770 . 4.870 4.068 3.845 4.442 . 0 0 "[ . 1 . 2]" 1
870 1 39 ARG QB 1 79 THR HB 4.390 . 4.480 4.348 3.825 4.497 0.017 7 0 "[ . 1 . 2]" 1
871 1 39 ARG QB 1 79 THR MG 4.230 . 4.310 3.290 2.519 3.948 . 0 0 "[ . 1 . 2]" 1
872 1 39 ARG QB 1 81 ASP HB2 5.340 . 5.450 4.606 3.140 5.453 0.003 18 0 "[ . 1 . 2]" 1
873 1 39 ARG QG 1 40 THR H 4.230 . 4.310 3.921 3.227 4.235 . 0 0 "[ . 1 . 2]" 1
874 1 39 ARG QG 1 81 ASP HB2 5.340 . 5.450 4.597 3.230 5.454 0.004 8 0 "[ . 1 . 2]" 1
875 1 39 ARG QD 1 40 THR H 5.340 . 5.450 5.234 4.350 5.509 0.059 13 0 "[ . 1 . 2]" 1
876 1 39 ARG QD 1 81 ASP HB3 5.340 . 5.450 3.262 2.252 5.236 . 0 0 "[ . 1 . 2]" 1
877 1 41 LEU HG 1 45 GLN QG 4.830 . 4.930 3.894 3.358 4.384 . 0 0 "[ . 1 . 2]" 1
878 1 41 LEU MD1 1 45 GLN QG 4.640 . 4.730 4.065 2.893 4.735 0.005 19 0 "[ . 1 . 2]" 1
879 1 42 THR H 1 45 GLN QG 3.570 . 3.640 2.582 2.162 3.311 . 0 0 "[ . 1 . 2]" 1
880 1 42 THR H 1 46 VAL QG 4.910 . 5.010 4.249 4.041 4.530 . 0 0 "[ . 1 . 2]" 1
881 1 42 THR MG 1 44 GLU QG 3.810 . 3.890 2.996 2.519 3.780 . 0 0 "[ . 1 . 2]" 1
882 1 43 GLU H 1 43 GLU QB 3.190 . 3.250 2.263 2.095 2.602 . 0 0 "[ . 1 . 2]" 1
883 1 43 GLU H 1 43 GLU QG 4.200 . 4.280 3.593 2.144 4.096 . 0 0 "[ . 1 . 2]" 1
884 1 43 GLU H 1 44 GLU QG 5.340 . 5.450 4.282 3.864 4.874 . 0 0 "[ . 1 . 2]" 1
885 1 43 GLU HA 1 43 GLU QG 3.390 . 3.460 2.799 2.258 3.126 . 0 0 "[ . 1 . 2]" 1
886 1 43 GLU HA 1 46 VAL QG 3.430 . 3.500 2.623 2.339 2.917 . 0 0 "[ . 1 . 2]" 1
887 1 43 GLU QB 1 44 GLU H 2.930 . 2.990 2.669 2.425 2.859 . 0 0 "[ . 1 . 2]" 1
888 1 43 GLU QB 1 44 GLU HA 3.960 . 4.040 3.927 3.610 4.061 0.021 18 0 "[ . 1 . 2]" 1
889 1 43 GLU QB 1 44 GLU QG 3.430 . 3.500 3.337 3.014 3.505 0.005 5 0 "[ . 1 . 2]" 1
890 1 43 GLU QB 1 46 VAL H 5.340 . 5.450 4.853 4.590 5.026 . 0 0 "[ . 1 . 2]" 1
891 1 43 GLU QB 1 112 ALA H 3.650 . 3.720 2.710 1.889 3.354 . 0 0 "[ . 1 . 2]" 1
892 1 43 GLU QG 1 44 GLU H 4.900 . 5.000 4.135 3.451 4.683 . 0 0 "[ . 1 . 2]" 1
893 1 43 GLU QG 1 47 GLN HE21 4.160 . 4.240 3.239 1.793 4.262 0.022 1 0 "[ . 1 . 2]" 1
894 1 43 GLU QG 1 47 GLN HE22 5.090 . 5.190 4.256 2.934 5.198 0.008 3 0 "[ . 1 . 2]" 1
895 1 43 GLU QG 1 112 ALA H 3.820 . 3.900 2.652 1.796 3.900 0.004 8 0 "[ . 1 . 2]" 1
896 1 44 GLU H 1 44 GLU QB 3.560 . 3.630 2.541 2.448 2.625 . 0 0 "[ . 1 . 2]" 1
897 1 44 GLU H 1 44 GLU QG 3.280 . 3.350 2.144 1.860 2.810 . 0 0 "[ . 1 . 2]" 1
898 1 44 GLU H 1 45 GLN QG 4.730 . 4.820 4.092 3.889 4.383 . 0 0 "[ . 1 . 2]" 1
899 1 44 GLU QB 1 45 GLN H 3.650 . 3.720 2.426 2.200 2.608 . 0 0 "[ . 1 . 2]" 1
900 1 44 GLU QB 1 45 GLN QG 3.790 . 3.870 2.934 2.635 3.193 . 0 0 "[ . 1 . 2]" 1
901 1 44 GLU QG 1 45 GLN H 4.440 . 4.530 3.951 3.730 4.274 . 0 0 "[ . 1 . 2]" 1
902 1 44 GLU QG 1 112 ALA H 5.340 . 5.450 4.577 1.994 5.462 0.012 2 0 "[ . 1 . 2]" 1
903 1 45 GLN H 1 45 GLN QG 2.950 . 3.010 2.063 1.929 2.314 . 0 0 "[ . 1 . 2]" 1
904 1 45 GLN H 1 46 VAL QG 4.390 . 4.480 3.936 3.756 4.375 . 0 0 "[ . 1 . 2]" 1
905 1 45 GLN HA 1 45 GLN QG 3.500 . 3.570 2.810 2.436 3.073 . 0 0 "[ . 1 . 2]" 1
906 1 46 VAL H 1 46 VAL QG 2.870 . 2.930 2.136 1.966 2.528 . 0 0 "[ . 1 . 2]" 1
907 1 46 VAL H 1 47 GLN QB 5.340 . 5.450 4.777 4.514 5.313 . 0 0 "[ . 1 . 2]" 1
908 1 46 VAL HA 1 46 VAL QG 2.750 . 2.800 2.150 2.120 2.164 . 0 0 "[ . 1 . 2]" 1
909 1 46 VAL QG 1 47 GLN H 3.430 . 3.500 3.070 2.510 3.258 . 0 0 "[ . 1 . 2]" 1
910 1 46 VAL QG 1 47 GLN HA 3.820 . 3.900 3.337 2.771 3.634 . 0 0 "[ . 1 . 2]" 1
911 1 46 VAL QG 1 47 GLN HG2 3.760 . 3.840 3.664 3.208 3.863 0.023 5 0 "[ . 1 . 2]" 1
912 1 46 VAL QG 1 47 GLN HG3 5.150 . 5.250 4.605 3.799 5.129 . 0 0 "[ . 1 . 2]" 1
913 1 46 VAL QG 1 48 GLU H 5.270 . 5.380 4.491 4.245 4.644 . 0 0 "[ . 1 . 2]" 1
914 1 46 VAL QG 1 49 VAL H 5.440 . 5.550 4.371 4.201 4.543 . 0 0 "[ . 1 . 2]" 1
915 1 46 VAL QG 1 90 ARG H 5.440 . 5.550 4.584 4.180 5.053 . 0 0 "[ . 1 . 2]" 1
916 1 46 VAL QG 1 90 ARG HA 4.580 . 4.670 4.058 3.641 4.581 . 0 0 "[ . 1 . 2]" 1
917 1 46 VAL QG 1 90 ARG QB 3.600 . 3.670 2.248 1.905 2.732 . 0 0 "[ . 1 . 2]" 1
918 1 46 VAL QG 1 90 ARG QD 4.850 . 4.950 3.554 2.120 4.772 . 0 0 "[ . 1 . 2]" 1
919 1 46 VAL QG 1 91 VAL H 4.260 . 4.350 3.140 2.734 3.658 . 0 0 "[ . 1 . 2]" 1
920 1 46 VAL QG 1 94 ARG H 4.840 . 4.940 4.231 3.863 4.488 . 0 0 "[ . 1 . 2]" 1
921 1 46 VAL QG 1 94 ARG HB3 4.280 . 4.370 4.003 3.728 4.374 0.004 8 0 "[ . 1 . 2]" 1
922 1 46 VAL QG 1 94 ARG HG2 3.560 . 3.630 2.695 2.365 2.985 . 0 0 "[ . 1 . 2]" 1
923 1 46 VAL QG 1 94 ARG HG3 3.540 . 3.610 2.073 1.798 2.420 0.002 17 0 "[ . 1 . 2]" 1
924 1 46 VAL QG 1 94 ARG QD 3.920 . 4.000 3.380 2.704 3.847 . 0 0 "[ . 1 . 2]" 1
925 1 47 GLN H 1 47 GLN QB 2.880 . 2.940 2.567 2.459 2.732 . 0 0 "[ . 1 . 2]" 1
926 1 47 GLN HA 1 50 VAL QG 3.640 . 3.710 2.209 1.790 3.477 0.010 4 0 "[ . 1 . 2]" 1
927 1 47 GLN QB 1 48 GLU H 3.590 . 3.660 2.757 2.505 3.586 . 0 0 "[ . 1 . 2]" 1
928 1 47 GLN QB 1 51 ALA MB 4.390 . 4.480 3.940 3.757 4.163 . 0 0 "[ . 1 . 2]" 1
929 1 48 GLU H 1 50 VAL QG 5.390 . 5.500 4.302 3.918 5.137 . 0 0 "[ . 1 . 2]" 1
930 1 50 VAL H 1 50 VAL QG 2.890 . 2.950 1.836 1.795 1.958 0.005 18 0 "[ . 1 . 2]" 1
931 1 50 VAL HA 1 50 VAL QG 2.870 . 2.930 2.263 2.110 2.452 . 0 0 "[ . 1 . 2]" 1
932 1 50 VAL QG 1 51 ALA H 3.530 . 3.600 2.743 2.151 3.428 . 0 0 "[ . 1 . 2]" 1
933 1 50 VAL QG 1 51 ALA HA 4.390 . 4.480 3.444 3.036 3.854 . 0 0 "[ . 1 . 2]" 1
934 1 50 VAL QG 1 51 ALA MB 4.610 . 4.700 3.593 3.040 4.222 . 0 0 "[ . 1 . 2]" 1
935 1 50 VAL QG 1 52 LYS H 5.290 . 5.400 4.462 4.171 4.793 . 0 0 "[ . 1 . 2]" 1
936 1 50 VAL QG 1 53 LEU H 4.940 . 5.040 4.266 4.043 4.409 . 0 0 "[ . 1 . 2]" 1
937 1 50 VAL QG 1 54 THR H 5.440 . 5.550 4.342 3.752 4.862 . 0 0 "[ . 1 . 2]" 1
938 1 50 VAL QG 1 91 VAL HA 3.220 . 3.280 2.362 2.117 2.660 . 0 0 "[ . 1 . 2]" 1
939 1 50 VAL QG 1 91 VAL MG1 2.540 . 2.590 1.797 1.785 1.853 0.015 12 0 "[ . 1 . 2]" 1
940 1 50 VAL QG 1 94 ARG H 4.210 . 4.290 3.571 3.416 3.701 . 0 0 "[ . 1 . 2]" 1
941 1 50 VAL QG 1 94 ARG HA 4.260 . 4.350 3.874 3.733 4.053 . 0 0 "[ . 1 . 2]" 1
942 1 50 VAL QG 1 94 ARG HB2 3.660 . 3.730 1.778 1.769 1.788 0.031 3 0 "[ . 1 . 2]" 1
943 1 50 VAL QG 1 94 ARG HB3 3.160 . 3.220 2.367 2.171 2.572 . 0 0 "[ . 1 . 2]" 1
944 1 50 VAL QG 1 94 ARG HG2 3.060 . 3.120 2.859 2.735 3.139 0.019 4 0 "[ . 1 . 2]" 1
945 1 50 VAL QG 1 94 ARG HG3 3.620 . 3.690 2.373 2.147 2.988 . 0 0 "[ . 1 . 2]" 1
946 1 50 VAL QG 1 94 ARG QD 4.410 . 4.500 3.724 3.520 3.995 . 0 0 "[ . 1 . 2]" 1
947 1 50 VAL QG 1 95 LEU H 3.520 . 3.590 2.498 2.021 3.095 . 0 0 "[ . 1 . 2]" 1
948 1 50 VAL QG 1 95 LEU HA 4.650 . 4.740 3.059 2.293 3.835 . 0 0 "[ . 1 . 2]" 1
949 1 50 VAL QG 1 95 LEU QB 5.130 . 5.230 2.401 1.786 4.373 0.014 5 0 "[ . 1 . 2]" 1
950 1 50 VAL QG 1 95 LEU MD2 3.510 . 3.580 2.087 1.796 2.442 0.004 19 0 "[ . 1 . 2]" 1
951 1 53 LEU HG 1 71 ILE QG 4.630 . 4.720 3.696 2.766 4.663 . 0 0 "[ . 1 . 2]" 1
952 1 55 ASP H 1 55 ASP QB 3.210 . 3.270 2.412 2.221 2.575 . 0 0 "[ . 1 . 2]" 1
953 1 55 ASP QB 1 57 GLU H 4.310 . 4.400 3.904 3.248 4.402 0.002 16 0 "[ . 1 . 2]" 1
954 1 55 ASP QB 1 58 SER H 3.830 . 3.910 3.157 2.457 3.710 . 0 0 "[ . 1 . 2]" 1
955 1 56 PRO QB 1 57 GLU H 3.560 . 3.630 3.206 1.782 3.638 0.018 10 0 "[ . 1 . 2]" 1
956 1 56 PRO QG 1 57 GLU H 3.580 . 3.650 2.795 2.112 3.658 0.008 10 0 "[ . 1 . 2]" 1
957 1 56 PRO QG 1 58 SER H 5.350 . 5.460 5.050 4.055 5.470 0.010 11 0 "[ . 1 . 2]" 1
958 1 56 PRO QD 1 57 GLU H 3.950 . 4.030 2.802 2.291 3.796 . 0 0 "[ . 1 . 2]" 1
959 1 57 GLU QB 1 58 SER H 3.850 . 3.930 2.568 2.123 3.397 . 0 0 "[ . 1 . 2]" 1
960 1 58 SER H 1 58 SER QB 3.340 . 3.410 2.367 2.205 2.575 . 0 0 "[ . 1 . 2]" 1
961 1 59 SER HA 1 62 ILE QG 3.900 . 3.980 2.679 1.920 3.163 . 0 0 "[ . 1 . 2]" 1
962 1 59 SER QB 1 62 ILE MD 4.830 . 4.930 4.238 3.396 4.933 0.003 3 0 "[ . 1 . 2]" 1
963 1 61 GLN H 1 62 ILE QG 3.770 . 3.850 3.652 3.248 3.855 0.005 4 0 "[ . 1 . 2]" 1
964 1 61 GLN HA 1 62 ILE QG 5.330 . 5.440 5.115 4.891 5.247 . 0 0 "[ . 1 . 2]" 1
965 1 62 ILE H 1 62 ILE QG 3.780 . 3.860 2.101 1.795 2.336 0.005 18 0 "[ . 1 . 2]" 1
966 1 62 ILE HA 1 62 ILE QG 3.710 . 3.780 2.763 2.343 3.430 . 0 0 "[ . 1 . 2]" 1
967 1 62 ILE QG 1 62 ILE MG 3.190 . 3.250 2.319 2.091 2.392 . 0 0 "[ . 1 . 2]" 1
968 1 62 ILE QG 1 74 PHE HE1 5.340 . 5.450 4.049 1.980 5.453 0.003 1 0 "[ . 1 . 2]" 1
969 1 65 VAL H 1 65 VAL QG 3.980 . 4.060 2.529 2.232 2.967 . 0 0 "[ . 1 . 2]" 1
970 1 65 VAL QG 1 66 VAL H 4.000 . 4.080 2.659 2.057 3.539 . 0 0 "[ . 1 . 2]" 1
971 1 66 VAL QG 1 67 SER H 3.990 . 4.070 3.003 2.544 3.209 . 0 0 "[ . 1 . 2]" 1
972 1 66 VAL QG 1 70 GLU H 5.310 . 5.420 5.160 4.352 5.429 0.009 11 0 "[ . 1 . 2]" 1
973 1 67 SER H 1 70 GLU QG 5.340 . 5.450 3.919 3.204 4.660 . 0 0 "[ . 1 . 2]" 1
974 1 67 SER QB 1 69 ASP H 3.950 . 4.030 2.814 2.372 3.170 . 0 0 "[ . 1 . 2]" 1
975 1 69 ASP H 1 69 ASP QB 3.520 . 3.590 2.509 2.206 2.653 . 0 0 "[ . 1 . 2]" 1
976 1 69 ASP HA 1 72 GLU QB 4.690 . 4.780 3.719 2.709 4.786 0.006 11 0 "[ . 1 . 2]" 1
977 1 69 ASP QB 1 70 GLU H 4.020 . 4.100 3.428 2.885 3.762 . 0 0 "[ . 1 . 2]" 1
978 1 70 GLU H 1 70 GLU QG 3.500 . 3.570 2.258 2.027 3.387 . 0 0 "[ . 1 . 2]" 1
979 1 70 GLU H 1 71 ILE QG 4.560 . 4.650 4.131 3.834 4.430 . 0 0 "[ . 1 . 2]" 1
980 1 70 GLU HA 1 70 GLU QG 3.490 . 3.560 3.353 3.336 3.380 . 0 0 "[ . 1 . 2]" 1
981 1 70 GLU HA 1 71 ILE QG 5.340 . 5.450 5.143 4.990 5.294 . 0 0 "[ . 1 . 2]" 1
982 1 70 GLU HB2 1 71 ILE QG 5.180 . 5.280 4.714 4.008 5.281 0.001 17 0 "[ . 1 . 2]" 1
983 1 70 GLU QG 1 71 ILE H 4.500 . 4.590 2.208 1.882 2.455 . 0 0 "[ . 1 . 2]" 1
984 1 70 GLU QG 1 71 ILE MG 4.850 . 4.950 4.444 4.193 4.771 . 0 0 "[ . 1 . 2]" 1
985 1 70 GLU QG 1 74 PHE H 5.340 . 5.450 5.057 4.839 5.336 . 0 0 "[ . 1 . 2]" 1
986 1 71 ILE H 1 71 ILE QG 3.080 . 3.140 2.060 1.864 2.233 . 0 0 "[ . 1 . 2]" 1
987 1 71 ILE MG 1 74 PHE QB 4.600 . 4.690 4.119 3.826 4.317 . 0 0 "[ . 1 . 2]" 1
988 1 71 ILE QG 1 72 GLU H 4.320 . 4.410 3.892 3.696 4.025 . 0 0 "[ . 1 . 2]" 1
989 1 71 ILE QG 1 91 VAL MG1 4.400 . 4.490 3.280 2.744 3.882 . 0 0 "[ . 1 . 2]" 1
990 1 71 ILE QG 1 92 ALA HA 5.340 . 5.450 4.415 3.747 5.090 . 0 0 "[ . 1 . 2]" 1
991 1 71 ILE QG 1 95 LEU MD1 3.590 . 3.660 3.614 2.740 3.693 0.033 6 0 "[ . 1 . 2]" 1
992 1 72 GLU H 1 72 GLU QB 3.140 . 3.200 2.649 2.556 2.801 . 0 0 "[ . 1 . 2]" 1
993 1 72 GLU QB 1 73 LYS H 3.780 . 3.860 2.669 2.263 3.591 . 0 0 "[ . 1 . 2]" 1
994 1 74 PHE H 1 74 PHE QB 3.230 . 3.290 2.263 2.189 2.335 . 0 0 "[ . 1 . 2]" 1
995 1 74 PHE QB 1 75 ILE H 3.750 . 3.820 2.809 2.642 2.987 . 0 0 "[ . 1 . 2]" 1
996 1 75 ILE MG 1 87 ASP QB 3.850 . 3.930 2.140 1.963 2.347 . 0 0 "[ . 1 . 2]" 1
997 1 75 ILE MD 1 87 ASP QB 3.220 . 3.280 1.840 1.793 2.041 0.007 18 0 "[ . 1 . 2]" 1
998 1 76 ALA H 1 77 ASP QB 4.910 . 5.010 4.374 4.189 4.594 . 0 0 "[ . 1 . 2]" 1
999 1 76 ALA MB 1 83 PRO QD 3.670 . 3.740 2.690 1.927 3.053 . 0 0 "[ . 1 . 2]" 1
1000 1 77 ASP H 1 77 ASP QB 2.980 . 3.040 2.244 2.180 2.312 . 0 0 "[ . 1 . 2]" 1
1001 1 80 LYS HB2 1 87 ASP QB 5.340 . 5.450 5.237 4.985 5.449 . 0 0 "[ . 1 . 2]" 1
1002 1 80 LYS HB3 1 87 ASP QB 5.340 . 5.450 5.397 5.179 5.465 0.015 5 0 "[ . 1 . 2]" 1
1003 1 80 LYS HG2 1 87 ASP QB 4.820 . 4.920 3.693 3.564 3.970 . 0 0 "[ . 1 . 2]" 1
1004 1 80 LYS HG3 1 87 ASP QB 5.180 . 5.280 4.949 4.657 5.282 0.002 9 0 "[ . 1 . 2]" 1
1005 1 81 ASP HB3 1 83 PRO QD 5.350 . 5.460 5.210 4.982 5.451 . 0 0 "[ . 1 . 2]" 1
1006 1 82 GLU HA 1 83 PRO QD 3.520 . 3.590 2.052 1.957 2.216 . 0 0 "[ . 1 . 2]" 1
1007 1 82 GLU HB2 1 83 PRO QD 4.460 . 4.550 4.166 4.066 4.303 . 0 0 "[ . 1 . 2]" 1
1008 1 84 THR H 1 87 ASP QB 4.070 . 4.150 2.916 2.518 3.819 . 0 0 "[ . 1 . 2]" 1
1009 1 86 GLN HA 1 86 GLN QG 3.190 . 3.250 2.606 2.413 3.032 . 0 0 "[ . 1 . 2]" 1
1010 1 86 GLN QG 1 87 ASP H 4.770 . 4.870 3.352 3.063 3.743 . 0 0 "[ . 1 . 2]" 1
1011 1 86 GLN QG 1 90 ARG QD 3.830 . 3.910 2.664 2.047 3.546 . 0 0 "[ . 1 . 2]" 1
1012 1 87 ASP H 1 87 ASP QB 3.160 . 3.220 2.555 2.424 2.843 . 0 0 "[ . 1 . 2]" 1
1013 1 87 ASP H 1 90 ARG QD 5.150 . 5.250 4.770 3.987 5.271 0.021 17 0 "[ . 1 . 2]" 1
1014 1 87 ASP HA 1 90 ARG QB 4.460 . 4.550 2.993 2.701 3.210 . 0 0 "[ . 1 . 2]" 1
1015 1 87 ASP HA 1 90 ARG QD 5.010 . 5.110 3.236 1.989 4.339 . 0 0 "[ . 1 . 2]" 1
1016 1 87 ASP QB 1 88 ILE H 3.380 . 3.450 2.359 2.224 3.213 . 0 0 "[ . 1 . 2]" 1
1017 1 87 ASP QB 1 88 ILE MD 4.220 . 4.300 2.519 2.169 4.100 . 0 0 "[ . 1 . 2]" 1
1018 1 89 SER HB3 1 90 ARG QB 4.780 . 4.880 4.514 4.285 4.746 . 0 0 "[ . 1 . 2]" 1
1019 1 90 ARG H 1 90 ARG QB 3.030 . 3.090 2.401 2.108 2.664 . 0 0 "[ . 1 . 2]" 1
1020 1 90 ARG H 1 90 ARG QD 4.230 . 4.310 3.161 2.053 4.132 . 0 0 "[ . 1 . 2]" 1
1021 1 90 ARG HA 1 90 ARG QD 4.650 . 4.740 3.593 2.232 4.261 . 0 0 "[ . 1 . 2]" 1
1022 1 90 ARG QB 1 90 ARG QD 3.080 . 3.140 2.345 2.113 2.906 . 0 0 "[ . 1 . 2]" 1
1023 1 90 ARG QB 1 91 VAL H 3.810 . 3.890 2.302 2.183 2.486 . 0 0 "[ . 1 . 2]" 1
1024 1 90 ARG QB 1 91 VAL HA 4.210 . 4.290 3.772 3.654 3.867 . 0 0 "[ . 1 . 2]" 1
1025 1 92 ALA HA 1 95 LEU QB 4.630 . 4.720 4.037 2.824 4.186 . 0 0 "[ . 1 . 2]" 1
1026 1 93 SER H 1 93 SER QB 2.750 . 2.800 2.379 2.236 2.679 . 0 0 "[ . 1 . 2]" 1
1027 1 93 SER QB 1 94 ARG H 3.380 . 3.450 2.740 2.495 3.460 0.010 10 0 "[ . 1 . 2]" 1
1028 1 93 SER QB 1 96 ALA MB 4.420 . 4.510 4.073 3.512 4.418 . 0 0 "[ . 1 . 2]" 1
1029 1 93 SER QB 1 97 ALA H 5.340 . 5.450 5.019 4.440 5.462 0.012 7 0 "[ . 1 . 2]" 1
1030 1 94 ARG H 1 94 ARG QD 4.530 . 4.620 2.681 2.441 2.906 . 0 0 "[ . 1 . 2]" 1
1031 1 94 ARG HA 1 94 ARG QD 3.630 . 3.700 2.171 1.960 2.307 . 0 0 "[ . 1 . 2]" 1
1032 1 94 ARG QD 1 97 ALA MB 4.780 . 4.880 4.010 3.491 4.665 . 0 0 "[ . 1 . 2]" 1
1033 1 95 LEU H 1 95 LEU QB 3.220 . 3.280 2.697 2.545 2.826 . 0 0 "[ . 1 . 2]" 1
1034 1 95 LEU QB 1 96 ALA H 3.740 . 3.810 3.497 2.389 3.609 . 0 0 "[ . 1 . 2]" 1
1035 1 97 ALA H 1 98 GLY QA 5.210 . 5.310 4.341 4.235 4.582 . 0 0 "[ . 1 . 2]" 1
1036 1 97 ALA MB 1 98 GLY QA 4.450 . 4.540 3.716 3.616 3.810 . 0 0 "[ . 1 . 2]" 1
1037 1 98 GLY QA 1 100 TRP HD1 3.940 . 4.020 3.858 2.707 4.040 0.020 10 0 "[ . 1 . 2]" 1
1038 1 98 GLY QA 1 100 TRP HE1 4.480 . 4.570 4.079 3.071 4.578 0.008 1 0 "[ . 1 . 2]" 1
1039 1 100 TRP H 1 100 TRP QB 3.100 . 3.160 2.447 2.141 3.089 . 0 0 "[ . 1 . 2]" 1
1040 1 103 ALA MB 1 104 GLY QA 4.650 . 4.740 3.832 3.423 4.133 . 0 0 "[ . 1 . 2]" 1
1041 1 105 VAL H 1 105 VAL QG 3.810 . 3.890 1.987 1.790 2.745 0.010 10 0 "[ . 1 . 2]" 1
1042 1 105 VAL QG 1 106 ASP H 4.000 . 4.080 3.141 1.796 3.769 0.004 4 0 "[ . 1 . 2]" 1
1043 1 106 ASP QB 1 108 THR H 4.500 . 4.590 3.366 2.468 4.523 . 0 0 "[ . 1 . 2]" 1
1044 1 106 ASP QB 1 109 ALA H 4.670 . 4.760 2.963 2.047 3.837 . 0 0 "[ . 1 . 2]" 1
1045 1 106 ASP QB 1 110 LEU QD 4.570 . 4.660 4.198 2.242 4.671 0.011 18 0 "[ . 1 . 2]" 1
1046 1 107 SER HA 1 110 LEU QB 3.890 . 3.970 2.965 2.118 3.980 0.010 1 0 "[ . 1 . 2]" 1
1047 1 107 SER HA 1 110 LEU QD 4.150 . 4.230 2.809 1.799 3.892 0.001 18 0 "[ . 1 . 2]" 1
1048 1 107 SER QB 1 108 THR H 4.390 . 4.480 3.192 2.556 3.760 . 0 0 "[ . 1 . 2]" 1
1049 1 107 SER QB 1 110 LEU QD 4.870 . 4.970 4.046 2.988 4.972 0.002 19 0 "[ . 1 . 2]" 1
1050 1 109 ALA H 1 110 LEU QB 4.520 . 4.610 4.028 3.379 4.610 . 0 0 "[ . 1 . 2]" 1
1051 1 109 ALA H 1 110 LEU QD 4.650 . 4.740 3.908 2.911 4.756 0.016 6 0 "[ . 1 . 2]" 1
1052 1 109 ALA HA 1 110 LEU QB 5.060 . 5.160 5.027 4.571 5.187 0.027 17 0 "[ . 1 . 2]" 1
1053 1 110 LEU H 1 110 LEU QB 3.110 . 3.170 2.478 2.111 2.916 . 0 0 "[ . 1 . 2]" 1
1054 1 110 LEU H 1 110 LEU QD 4.120 . 4.200 3.083 1.856 4.005 . 0 0 "[ . 1 . 2]" 1
1055 1 110 LEU HA 1 110 LEU QD 3.460 . 3.530 2.407 1.831 3.408 . 0 0 "[ . 1 . 2]" 1
1056 1 110 LEU QB 1 110 LEU QD 2.840 . 2.900 1.977 1.912 2.069 . 0 0 "[ . 1 . 2]" 1
1057 1 110 LEU QB 1 111 ASN H 4.170 . 4.250 3.390 1.810 4.011 . 0 0 "[ . 1 . 2]" 1
1058 1 111 ASN H 1 111 ASN QB 3.470 . 3.540 2.643 2.139 3.332 . 0 0 "[ . 1 . 2]" 1
1059 1 111 ASN QB 1 112 ALA H 4.470 . 4.560 3.380 1.969 4.041 . 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 42
_Distance_constraint_stats_list.Viol_count 225
_Distance_constraint_stats_list.Viol_total 45.522
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0101
_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 43 GLU 0.040 0.009 17 0 "[ . 1 . 2]"
1 44 GLU 0.206 0.022 20 0 "[ . 1 . 2]"
1 45 GLN 0.001 0.001 5 0 "[ . 1 . 2]"
1 46 VAL 0.086 0.013 4 0 "[ . 1 . 2]"
1 47 GLN 0.052 0.009 17 0 "[ . 1 . 2]"
1 48 GLU 0.417 0.028 18 0 "[ . 1 . 2]"
1 49 VAL 0.028 0.010 13 0 "[ . 1 . 2]"
1 50 VAL 0.086 0.013 4 0 "[ . 1 . 2]"
1 51 ALA 0.012 0.003 5 0 "[ . 1 . 2]"
1 52 LYS 0.370 0.028 18 0 "[ . 1 . 2]"
1 53 LEU 0.027 0.010 13 0 "[ . 1 . 2]"
1 55 ASP 0.159 0.017 13 0 "[ . 1 . 2]"
1 70 GLU 0.077 0.014 13 0 "[ . 1 . 2]"
1 71 ILE 0.097 0.015 9 0 "[ . 1 . 2]"
1 72 GLU 0.042 0.012 6 0 "[ . 1 . 2]"
1 74 PHE 0.077 0.014 13 0 "[ . 1 . 2]"
1 75 ILE 0.302 0.019 4 0 "[ . 1 . 2]"
1 76 ALA 0.042 0.012 6 0 "[ . 1 . 2]"
1 78 VAL 0.205 0.019 4 0 "[ . 1 . 2]"
1 84 THR 0.300 0.024 19 0 "[ . 1 . 2]"
1 85 ALA 0.004 0.002 15 0 "[ . 1 . 2]"
1 86 GLN 0.121 0.019 14 0 "[ . 1 . 2]"
1 87 ASP 0.015 0.006 16 0 "[ . 1 . 2]"
1 88 ILE 0.305 0.024 19 0 "[ . 1 . 2]"
1 89 SER 0.027 0.009 17 0 "[ . 1 . 2]"
1 90 ARG 0.572 0.036 14 0 "[ . 1 . 2]"
1 91 VAL 0.205 0.023 19 0 "[ . 1 . 2]"
1 92 ALA 0.009 0.003 6 0 "[ . 1 . 2]"
1 93 SER 0.023 0.009 17 0 "[ . 1 . 2]"
1 94 ARG 0.451 0.036 14 0 "[ . 1 . 2]"
1 95 LEU 0.190 0.023 19 0 "[ . 1 . 2]"
1 96 ALA 0.003 0.003 4 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 43 GLU O 1 47 GLN H 2.000 . 2.000 1.926 1.796 2.009 0.009 17 0 "[ . 1 . 2]" 2
2 1 43 GLU O 1 47 GLN N 3.000 2.700 3.000 2.880 2.764 2.990 . 0 0 "[ . 1 . 2]" 2
3 1 44 GLU O 1 48 GLU H 2.000 . 2.000 2.010 2.000 2.022 0.022 20 0 "[ . 1 . 2]" 2
4 1 44 GLU O 1 48 GLU N 3.000 2.700 3.000 2.892 2.797 2.956 . 0 0 "[ . 1 . 2]" 2
5 1 45 GLN O 1 49 VAL H 2.000 . 2.000 1.913 1.832 2.001 0.001 5 0 "[ . 1 . 2]" 2
6 1 45 GLN O 1 49 VAL N 3.000 2.700 3.000 2.861 2.737 2.972 . 0 0 "[ . 1 . 2]" 2
7 1 46 VAL O 1 50 VAL H 2.000 . 2.000 1.990 1.883 2.013 0.013 4 0 "[ . 1 . 2]" 2
8 1 46 VAL O 1 50 VAL N 3.000 2.700 3.000 2.953 2.844 2.994 . 0 0 "[ . 1 . 2]" 2
9 1 47 GLN O 1 51 ALA H 2.000 . 2.000 1.923 1.835 2.002 0.002 1 0 "[ . 1 . 2]" 2
10 1 47 GLN O 1 51 ALA N 3.000 2.700 3.000 2.757 2.697 2.884 0.003 5 0 "[ . 1 . 2]" 2
11 1 48 GLU O 1 52 LYS H 2.000 . 2.000 1.997 1.851 2.028 0.028 18 0 "[ . 1 . 2]" 2
12 1 48 GLU O 1 52 LYS N 3.000 2.700 3.000 2.932 2.799 2.999 . 0 0 "[ . 1 . 2]" 2
13 1 49 VAL O 1 53 LEU H 2.000 . 2.000 1.851 1.805 2.010 0.010 13 0 "[ . 1 . 2]" 2
14 1 49 VAL O 1 53 LEU N 3.000 2.700 3.000 2.734 2.691 2.892 0.009 9 0 "[ . 1 . 2]" 2
15 1 52 LYS O 1 55 ASP H 2.000 . 2.000 2.008 2.002 2.017 0.017 13 0 "[ . 1 . 2]" 2
16 1 52 LYS O 1 55 ASP N 3.000 2.700 3.000 2.931 2.885 2.968 . 0 0 "[ . 1 . 2]" 2
17 1 70 GLU O 1 74 PHE H 2.000 . 2.000 1.971 1.871 2.014 0.014 13 0 "[ . 1 . 2]" 2
18 1 70 GLU O 1 74 PHE N 3.000 2.700 3.000 2.928 2.807 2.984 . 0 0 "[ . 1 . 2]" 2
19 1 71 ILE O 1 75 ILE H 2.000 . 2.000 1.997 1.919 2.015 0.015 9 0 "[ . 1 . 2]" 2
20 1 71 ILE O 1 75 ILE N 3.000 2.700 3.000 2.909 2.749 2.965 . 0 0 "[ . 1 . 2]" 2
21 1 72 GLU O 1 76 ALA H 2.000 . 2.000 1.971 1.863 2.012 0.012 6 0 "[ . 1 . 2]" 2
22 1 72 GLU O 1 76 ALA N 3.000 2.700 3.000 2.931 2.826 2.990 . 0 0 "[ . 1 . 2]" 2
23 1 75 ILE O 1 78 VAL H 2.000 . 2.000 2.010 2.002 2.019 0.019 4 0 "[ . 1 . 2]" 2
24 1 75 ILE O 1 78 VAL N 3.000 2.700 3.000 2.905 2.857 2.951 . 0 0 "[ . 1 . 2]" 2
25 1 92 ALA O 1 96 ALA H 2.000 . 2.000 1.936 1.857 2.003 0.003 4 0 "[ . 1 . 2]" 2
26 1 92 ALA O 1 96 ALA N 3.000 2.700 3.000 2.794 2.719 2.928 . 0 0 "[ . 1 . 2]" 2
27 1 91 VAL O 1 95 LEU H 2.000 . 2.000 2.004 1.909 2.023 0.023 19 0 "[ . 1 . 2]" 2
28 1 91 VAL O 1 95 LEU N 3.000 2.700 3.000 2.975 2.880 3.003 0.003 1 0 "[ . 1 . 2]" 2
29 1 90 ARG O 1 94 ARG H 2.000 . 2.000 2.023 2.010 2.036 0.036 14 0 "[ . 1 . 2]" 2
30 1 90 ARG O 1 94 ARG N 3.000 2.700 3.000 2.930 2.858 2.974 . 0 0 "[ . 1 . 2]" 2
31 1 89 SER O 1 93 SER H 2.000 . 2.000 1.947 1.870 2.009 0.009 17 0 "[ . 1 . 2]" 2
32 1 89 SER O 1 93 SER N 3.000 2.700 3.000 2.816 2.716 2.911 . 0 0 "[ . 1 . 2]" 2
33 1 88 ILE O 1 92 ALA H 2.000 . 2.000 1.843 1.797 1.895 0.003 6 0 "[ . 1 . 2]" 2
34 1 88 ILE O 1 92 ALA N 3.000 2.700 3.000 2.766 2.720 2.812 . 0 0 "[ . 1 . 2]" 2
35 1 87 ASP O 1 91 VAL H 2.000 . 2.000 1.942 1.852 2.006 0.006 16 0 "[ . 1 . 2]" 2
36 1 87 ASP O 1 91 VAL N 3.000 2.700 3.000 2.914 2.830 2.990 . 0 0 "[ . 1 . 2]" 2
37 1 86 GLN O 1 90 ARG H 2.000 . 2.000 1.985 1.852 2.019 0.019 14 0 "[ . 1 . 2]" 2
38 1 86 GLN O 1 90 ARG N 3.000 2.700 3.000 2.946 2.815 2.998 . 0 0 "[ . 1 . 2]" 2
39 1 85 ALA O 1 89 SER H 2.000 . 2.000 1.887 1.846 1.998 . 0 0 "[ . 1 . 2]" 2
40 1 85 ALA O 1 89 SER N 3.000 2.700 3.000 2.757 2.698 2.851 0.002 15 0 "[ . 1 . 2]" 2
41 1 84 THR O 1 88 ILE H 2.000 . 2.000 2.015 2.003 2.024 0.024 19 0 "[ . 1 . 2]" 2
42 1 84 THR O 1 88 ILE N 3.000 2.700 3.000 2.989 2.958 3.001 0.001 8 0 "[ . 1 . 2]" 2
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