NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405524 |
1x60   |
6649 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x60
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 1117
_Distance_constraint_stats_list.Viol_count 2248
_Distance_constraint_stats_list.Viol_total 4767.757
_Distance_constraint_stats_list.Viol_max 0.362
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0707
_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 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 LEU 8.558 0.160 18 0 "[ . 1 . 2 . 3]"
1 10 TYR 6.022 0.102 14 0 "[ . 1 . 2 . 3]"
1 11 LYS 6.742 0.160 18 0 "[ . 1 . 2 . 3]"
1 12 VAL 8.290 0.234 26 0 "[ . 1 . 2 . 3]"
1 13 GLN 0.929 0.044 8 0 "[ . 1 . 2 . 3]"
1 14 ILE 5.574 0.140 7 0 "[ . 1 . 2 . 3]"
1 15 GLY 4.514 0.204 25 0 "[ . 1 . 2 . 3]"
1 16 ALA 0.294 0.032 23 0 "[ . 1 . 2 . 3]"
1 17 PHE 0.059 0.016 28 0 "[ . 1 . 2 . 3]"
1 19 VAL 2.218 0.102 25 0 "[ . 1 . 2 . 3]"
1 20 LYS 7.819 0.283 25 0 "[ . 1 . 2 . 3]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 ASN 0.126 0.025 5 0 "[ . 1 . 2 . 3]"
1 23 ALA 7.635 0.283 25 0 "[ . 1 . 2 . 3]"
1 24 ASP 0.015 0.006 19 0 "[ . 1 . 2 . 3]"
1 25 SER 0.003 0.003 2 0 "[ . 1 . 2 . 3]"
1 26 LEU 0.936 0.065 19 0 "[ . 1 . 2 . 3]"
1 27 ALA 0.003 0.003 2 0 "[ . 1 . 2 . 3]"
1 28 SER 0.080 0.015 24 0 "[ . 1 . 2 . 3]"
1 29 ASN 6.629 0.117 25 0 "[ . 1 . 2 . 3]"
1 30 ALA 1.293 0.091 23 0 "[ . 1 . 2 . 3]"
1 31 GLU 4.136 0.117 25 0 "[ . 1 . 2 . 3]"
1 32 ALA 5.716 0.205 17 0 "[ . 1 . 2 . 3]"
1 33 LYS 1.924 0.084 27 0 "[ . 1 . 2 . 3]"
1 34 GLY 8.304 0.205 17 0 "[ . 1 . 2 . 3]"
1 35 PHE 27.553 0.256 26 0 "[ . 1 . 2 . 3]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 SER 0.218 0.107 26 0 "[ . 1 . 2 . 3]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 LEU 5.526 0.157 26 0 "[ . 1 . 2 . 3]"
1 41 LEU 4.234 0.104 21 0 "[ . 1 . 2 . 3]"
1 42 LYS 18.193 0.362 17 0 "[ . 1 . 2 . 3]"
1 43 ASP 5.061 0.252 30 0 "[ . 1 . 2 . 3]"
1 44 GLY 0.754 0.086 18 0 "[ . 1 . 2 . 3]"
1 45 LEU 7.827 0.362 17 0 "[ . 1 . 2 . 3]"
1 46 TYR 6.440 0.107 24 0 "[ . 1 . 2 . 3]"
1 47 LYS 10.997 0.160 14 0 "[ . 1 . 2 . 3]"
1 48 VAL 7.633 0.204 25 0 "[ . 1 . 2 . 3]"
1 49 GLN 0.611 0.048 11 0 "[ . 1 . 2 . 3]"
1 50 ILE 12.922 0.256 26 0 "[ . 1 . 2 . 3]"
1 51 GLY 6.826 0.234 26 0 "[ . 1 . 2 . 3]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 PHE 0.962 0.035 26 0 "[ . 1 . 2 . 3]"
1 55 SER 0.017 0.017 13 0 "[ . 1 . 2 . 3]"
1 56 LYS 5.490 0.102 14 0 "[ . 1 . 2 . 3]"
1 57 ASP 0.612 0.038 26 0 "[ . 1 . 2 . 3]"
1 58 ASN 1.509 0.077 26 0 "[ . 1 . 2 . 3]"
1 59 ALA 4.621 0.134 22 0 "[ . 1 . 2 . 3]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 THR 0.322 0.076 14 0 "[ . 1 . 2 . 3]"
1 62 LEU 13.019 0.200 2 0 "[ . 1 . 2 . 3]"
1 63 ALA 1.085 0.044 27 0 "[ . 1 . 2 . 3]"
1 64 ALA 0.018 0.008 22 0 "[ . 1 . 2 . 3]"
1 65 ARG 4.988 0.052 21 0 "[ . 1 . 2 . 3]"
1 66 ALA 11.204 0.161 14 0 "[ . 1 . 2 . 3]"
1 67 LYS 6.286 0.117 6 0 "[ . 1 . 2 . 3]"
1 68 ASN 2.859 0.044 22 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.879 0.043 25 0 "[ . 1 . 2 . 3]"
1 70 GLY 3.658 0.145 25 0 "[ . 1 . 2 . 3]"
1 71 PHE 17.540 0.154 5 0 "[ . 1 . 2 . 3]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 ALA 9.416 0.161 14 0 "[ . 1 . 2 . 3]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 VAL 3.688 0.134 22 0 "[ . 1 . 2 . 3]"
1 76 ILE 1.296 0.127 4 0 "[ . 1 . 2 . 3]"
1 77 LEU 2.194 0.104 8 0 "[ . 1 . 2 . 3]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 10 TYR HA 1 10 TYR HD1 3.430 . 3.430 2.657 2.620 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 11 LYS HA 1 12 VAL MG2 3.790 . 4.790 2.998 2.978 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 12 VAL HA 1 12 VAL MG1 3.120 . 4.120 2.119 1.979 2.166 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 13 GLN HA 1 13 GLN HG2 3.310 . 3.310 2.858 2.425 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 14 ILE MD 1 48 VAL HB 4.220 . 5.220 3.352 2.904 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 16 ALA HA 1 47 LYS HA 2.950 . 2.950 2.038 1.804 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 16 ALA MB 1 47 LYS HG3 3.520 . 4.520 1.919 1.773 2.411 0.027 19 0 "[ . 1 . 2 . 3]" 1
8 1 16 ALA MB 1 47 LYS HA 3.680 . 4.680 2.145 1.960 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 23 ALA HA 1 26 LEU HB3 3.750 . 3.750 2.885 2.476 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 23 ALA MB 1 47 LYS HA 4.190 . 5.190 4.119 3.852 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 23 ALA HA 1 26 LEU HB2 4.270 . 4.270 3.500 3.350 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 25 SER HA 1 28 SER HB2 3.460 . 3.460 2.598 2.313 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 26 LEU HA 1 26 LEU MD1 3.010 . 4.010 1.875 1.778 1.941 0.022 5 0 "[ . 1 . 2 . 3]" 1
14 1 26 LEU MD1 1 29 ASN HB3 3.650 . 4.650 3.691 3.647 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 14 ILE MD 1 50 ILE HG12 3.830 . 4.830 1.818 1.771 1.914 0.029 15 0 "[ . 1 . 2 . 3]" 1
16 1 27 ALA HA 1 30 ALA MB 3.510 . 4.510 2.963 2.642 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 26 LEU HA 1 29 ASN HB3 3.360 . 3.360 3.200 3.142 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 30 ALA MB 1 35 PHE HB3 3.600 . 4.600 3.548 3.441 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 31 GLU HA 1 31 GLU HG3 3.740 . 3.740 2.828 2.479 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 31 GLU HA 1 31 GLU HB2 3.010 . 3.010 2.509 2.432 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 31 GLU HA 1 31 GLU HG2 3.930 . 3.930 2.732 2.317 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 40 LEU HA 1 40 LEU HB2 2.900 . 2.900 2.257 2.220 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 37 SER HA 1 37 SER HB2 3.020 . 3.020 2.465 2.345 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 38 ILE MG 1 49 GLN HB2 3.810 . 4.810 3.171 3.017 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 40 LEU HA 1 40 LEU MD1 3.350 . 4.350 2.316 2.201 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 14 ILE HG12 1 48 VAL HB 3.700 . 3.700 2.641 2.183 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 42 LYS HA 1 42 LYS HB3 3.000 . 3.000 2.651 2.543 3.020 0.020 24 0 "[ . 1 . 2 . 3]" 1
28 1 42 LYS HA 1 42 LYS HG3 3.440 . 3.440 3.592 3.506 3.671 0.231 26 0 "[ . 1 . 2 . 3]" 1
29 1 9 LEU HB2 1 9 LEU MD1 3.190 . 4.190 2.229 1.959 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 9 LEU HB3 1 9 LEU MD2 3.180 . 4.180 2.222 1.971 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 46 TYR HB2 1 46 TYR HD1 3.350 . 3.350 2.614 2.585 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 47 LYS HA 1 48 VAL MG2 3.590 . 4.590 3.396 3.209 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 47 LYS HA 1 48 VAL HB 4.400 . 4.400 4.500 4.461 4.556 0.156 5 0 "[ . 1 . 2 . 3]" 1
34 1 49 GLN HA 1 49 GLN HG3 3.470 . 3.470 2.752 2.365 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 50 ILE HB 1 50 ILE MD 3.530 . 4.530 2.205 2.185 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 14 ILE HG13 1 48 VAL HB 4.100 . 4.100 3.581 3.028 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 77 LEU HB2 1 77 LEU MD2 3.420 . 4.420 2.420 2.300 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 57 ASP HA 1 57 ASP HB2 2.770 . 2.770 2.589 2.423 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 62 LEU MD1 1 63 ALA HA 3.190 . 4.190 3.202 3.188 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 12 VAL MG2 1 63 ALA HA 3.410 . 4.410 3.729 3.707 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 57 ASP HA 1 60 ASP HB2 3.150 . 3.150 2.725 2.591 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 61 THR HA 1 64 ALA MB 3.640 . 4.640 3.103 2.950 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 61 THR HA 1 61 THR MG 3.310 . 4.310 2.335 2.001 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 62 LEU HA 1 65 ARG HB3 3.630 . 3.630 3.034 3.007 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 62 LEU HA 1 62 LEU MD1 3.020 . 4.020 2.241 2.182 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 62 LEU HB3 1 63 ALA HA 4.750 . 4.750 3.531 3.517 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 12 VAL HB 1 63 ALA HA 3.910 . 3.910 3.907 3.773 3.954 0.044 27 0 "[ . 1 . 2 . 3]" 1
48 1 65 ARG HA 1 68 ASN HB2 3.340 . 3.340 3.369 3.364 3.378 0.038 14 0 "[ . 1 . 2 . 3]" 1
49 1 65 ARG HA 1 65 ARG HG3 3.700 . 3.700 2.327 2.271 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 62 LEU HA 1 65 ARG HD3 4.460 . 4.460 4.495 4.472 4.512 0.052 21 0 "[ . 1 . 2 . 3]" 1
51 1 65 ARG HB3 1 65 ARG HD3 3.840 . 3.840 3.082 2.988 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 50 ILE MD 1 66 ALA MB 3.260 . 5.260 2.321 2.191 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 67 LYS HA 1 67 LYS HG3 3.570 . 3.570 2.599 2.143 3.687 0.117 6 0 "[ . 1 . 2 . 3]" 1
54 1 67 LYS HA 1 67 LYS HB3 2.980 . 2.980 2.601 2.512 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 66 ALA HA 1 69 ALA MB 3.390 . 4.390 2.028 1.983 2.078 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 74 ILE HA 1 74 ILE HG13 3.900 . 3.900 3.563 3.524 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 75 VAL HA 1 75 VAL MG1 2.930 . 3.930 2.430 2.411 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 76 ILE HA 1 76 ILE MG 3.420 . 4.420 2.581 2.141 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 78 GLU HA 1 78 GLU HG2 3.380 . 3.380 2.380 2.146 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 21 ALA HA 1 24 ASP HB2 3.650 . 3.650 2.733 2.480 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 60 ASP HA 1 63 ALA MB 3.240 . 4.240 2.716 2.526 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 60 ASP HA 1 60 ASP HB3 2.850 . 2.850 2.613 2.508 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 33 LYS HA 1 33 LYS HD2 4.310 . 4.310 3.731 3.608 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 40 LEU HA 1 40 LEU HG 4.170 . 4.170 3.653 3.631 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 26 LEU HB2 1 26 LEU MD2 3.420 . 4.420 2.394 2.330 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 41 LEU HB3 1 41 LEU MD2 3.290 . 4.290 2.380 2.308 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 41 LEU HA 1 41 LEU MD2 4.160 . 5.160 3.859 3.714 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 26 LEU HB3 1 26 LEU MD2 3.280 . 4.280 2.254 2.192 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 15 GLY HA2 1 26 LEU MD2 3.670 . 4.670 3.850 3.599 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 14 ILE MD 1 26 LEU MD1 3.680 . 4.680 3.071 3.028 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 45 LEU HA 1 45 LEU MD2 3.170 . 4.170 2.037 1.917 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 45 LEU HA 1 45 LEU HG 3.920 . 3.920 3.358 3.223 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 45 LEU HB2 1 45 LEU MD1 3.380 . 4.380 2.327 2.200 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 40 LEU MD1 1 41 LEU MD1 4.270 . 6.270 4.187 4.162 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 42 LYS HD3 1 45 LEU HG 3.840 . 3.840 4.099 3.936 4.202 0.362 17 0 "[ . 1 . 2 . 3]" 1
76 1 20 LYS HE3 1 20 LYS HG3 3.780 . 3.780 3.220 2.615 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 20 LYS HE3 1 20 LYS HG2 3.790 . 3.790 2.505 2.057 3.906 0.116 14 0 "[ . 1 . 2 . 3]" 1
78 1 40 LEU HG 1 47 LYS HE2 3.360 . 3.360 3.420 3.182 3.517 0.157 26 0 "[ . 1 . 2 . 3]" 1
79 1 16 ALA MB 1 47 LYS HE2 4.090 . 5.090 4.235 4.108 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 40 LEU MD2 1 47 LYS HE3 4.030 . 5.030 2.886 2.039 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 40 LEU HG 1 47 LYS HE3 3.490 . 3.490 2.303 1.965 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 42 LYS HG2 1 47 LYS HE2 3.490 . 3.490 2.548 1.895 3.588 0.098 26 0 "[ . 1 . 2 . 3]" 1
83 1 49 GLN HA 1 49 GLN HG2 3.920 . 3.920 2.899 2.752 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 56 LYS HA 1 56 LYS HD3 3.570 . 3.570 3.611 3.580 3.645 0.075 26 0 "[ . 1 . 2 . 3]" 1
85 1 27 ALA MB 1 48 VAL HA 4.460 . 5.460 3.906 3.686 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 12 VAL MG1 1 59 ALA HA 3.480 . 4.480 3.640 3.582 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 59 ALA HA 1 75 VAL MG2 3.450 . 4.450 3.146 3.079 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 64 ALA HA 1 67 LYS HB2 3.380 . 3.380 2.532 2.411 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 68 ASN HA 1 68 ASN HB3 2.970 . 2.970 3.001 2.996 3.006 0.036 17 0 "[ . 1 . 2 . 3]" 1
90 1 27 ALA MB 1 48 VAL MG1 3.480 . 5.480 2.204 1.898 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 63 ALA MB 1 75 VAL MG2 3.140 . 5.140 1.887 1.802 1.995 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 63 ALA HA 1 66 ALA MB 3.640 . 4.640 2.556 2.439 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 48 VAL HA 1 48 VAL MG1 3.350 . 4.350 2.386 2.325 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 12 VAL MG1 1 50 ILE MD 3.460 . 5.460 2.816 2.669 3.066 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 35 PHE HB3 1 35 PHE HD2 3.710 . 3.710 3.095 3.074 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 17 PHE QD 1 23 ALA MB 3.440 . 4.440 3.120 2.805 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 14 ILE MD 1 30 ALA MB 3.320 . 5.320 2.326 2.121 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 14 ILE MG 1 30 ALA MB 3.690 . 5.690 3.317 3.155 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 30 ALA MB 1 37 SER HB2 3.800 . 4.800 3.478 3.162 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 12 VAL HA 1 75 VAL MG2 3.500 . 4.500 3.069 2.995 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 12 VAL HA 1 12 VAL MG2 3.100 . 4.100 2.831 2.803 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 13 GLN HA 1 14 ILE HG12 4.450 . 4.450 4.156 4.043 4.454 0.004 19 0 "[ . 1 . 2 . 3]" 1
103 1 13 GLN HA 1 13 GLN HG3 3.530 . 3.530 2.695 2.276 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 14 ILE MD 1 26 LEU HG 3.800 . 4.800 2.480 2.272 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 14 ILE MD 1 14 ILE MG 3.080 . 5.080 1.707 1.660 1.814 0.140 7 0 "[ . 1 . 2 . 3]" 1
106 1 16 ALA MB 1 47 LYS HB2 3.860 . 4.860 3.776 3.636 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 19 VAL HA 1 19 VAL MG1 2.890 . 3.890 2.289 2.205 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 19 VAL HA 1 19 VAL MG2 2.960 . 3.960 2.445 2.384 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 23 ALA MB 1 39 VAL MG2 3.090 . 5.090 2.451 2.066 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 23 ALA MB 1 46 TYR HB3 3.400 . 4.400 2.174 1.997 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 20 LYS HA 1 23 ALA MB 3.360 . 4.360 2.250 2.061 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 23 ALA MB 1 46 TYR HB2 3.360 . 4.360 2.518 2.289 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 10 TYR HB3 1 59 ALA MB 3.510 . 4.510 2.296 2.223 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 56 LYS HA 1 59 ALA MB 3.110 . 4.110 2.808 2.668 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 59 ALA MB 1 75 VAL HB 4.220 . 5.220 3.550 3.463 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 59 ALA MB 1 62 LEU HB3 4.240 . 5.240 4.260 4.211 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 56 LYS HG2 1 59 ALA MB 4.130 . 5.130 3.473 2.892 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 59 ALA MB 1 75 VAL MG2 3.050 . 5.050 1.818 1.756 1.869 0.044 20 0 "[ . 1 . 2 . 3]" 1
119 1 62 LEU MD1 1 65 ARG HB3 3.620 . 4.620 2.929 2.882 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 50 ILE MD 1 62 LEU MD1 3.690 . 4.690 1.637 1.625 1.646 0.175 24 0 "[ . 1 . 2 . 3]" 1
121 1 62 LEU HB2 1 62 LEU MD1 3.470 . 4.470 3.175 3.173 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 62 LEU MD1 1 65 ARG HD2 4.040 . 5.040 3.903 3.897 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 26 LEU HB2 1 26 LEU MD1 3.200 . 4.200 2.438 2.397 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 50 ILE HG13 1 66 ALA MB 4.150 . 5.150 4.374 4.332 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 66 ALA MB 1 69 ALA MB 4.030 . 5.030 3.386 3.373 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 66 ALA MB 1 71 PHE HB3 3.650 . 4.650 3.542 3.497 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 66 ALA MB 1 71 PHE HB2 4.040 . 5.040 2.188 2.074 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 33 LYS HB2 1 69 ALA MB 4.120 . 5.120 3.704 3.613 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 33 LYS HB3 1 69 ALA MB 4.320 . 5.320 3.701 3.596 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 9 LEU HB3 1 9 LEU MD1 3.110 . 4.110 2.684 2.374 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 40 LEU MD1 1 47 LYS HE3 3.950 . 4.950 3.544 2.730 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 10 TYR HB2 1 75 VAL MG1 3.900 . 4.900 4.117 4.102 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 12 VAL MG1 1 62 LEU HB3 3.940 . 4.940 2.680 2.489 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 10 TYR HB3 1 75 VAL MG1 3.480 . 4.480 2.754 2.727 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 75 VAL HA 1 75 VAL MG2 3.130 . 4.130 2.339 2.311 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 30 ALA MB 1 35 PHE HD2 4.100 . 5.100 2.256 2.018 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 10 TYR HB3 1 10 TYR HD1 3.470 . 3.470 2.581 2.563 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 10 TYR HD1 1 77 LEU MD1 3.940 . 4.940 3.136 2.883 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 77 LEU HA 1 77 LEU MD1 3.390 . 4.390 2.359 2.142 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 8 GLY HA2 1 77 LEU MD1 4.130 . 5.130 2.924 1.947 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 56 LYS HA 1 56 LYS HG2 3.750 . 3.750 2.794 2.155 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 38 ILE MG 1 50 ILE MG 3.670 . 5.670 3.712 3.696 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 14 ILE MG 1 73 ALA MB 3.190 . 5.190 1.782 1.734 1.799 0.066 2 0 "[ . 1 . 2 . 3]" 1
144 1 35 PHE HB2 1 50 ILE MG 3.780 . 4.780 2.807 1.931 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 37 SER HB2 1 50 ILE MG 3.830 . 4.830 2.702 2.426 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 37 SER HA 1 50 ILE MG 3.460 . 4.460 1.863 1.722 1.890 0.078 26 0 "[ . 1 . 2 . 3]" 1
147 1 50 ILE MD 1 62 LEU HG 3.840 . 4.840 2.636 2.559 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 12 VAL HB 1 50 ILE MD 4.050 . 5.050 2.254 2.187 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 35 PHE HB2 1 50 ILE MD 4.340 . 5.340 3.210 3.163 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 14 ILE HB 1 26 LEU MD2 4.280 . 5.280 3.323 3.043 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 41 LEU MD1 1 44 GLY HA3 4.040 . 5.040 4.687 3.755 5.109 0.069 22 0 "[ . 1 . 2 . 3]" 1
152 1 41 LEU HA 1 41 LEU MD1 3.150 . 4.150 2.127 1.966 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 41 LEU MD1 1 46 TYR HD1 3.810 . 4.810 3.093 2.566 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 66 ALA MB 1 73 ALA MB 3.170 . 4.170 1.653 1.639 1.670 0.161 14 0 "[ . 1 . 2 . 3]" 1
155 1 10 TYR HD1 1 59 ALA MB 4.260 . 5.260 4.155 4.072 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 60 ASP HA 1 75 VAL MG2 3.280 . 4.280 2.065 1.925 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 12 VAL MG1 1 63 ALA HA 3.490 . 4.490 1.868 1.788 2.078 0.012 28 0 "[ . 1 . 2 . 3]" 1
158 1 12 VAL MG2 1 51 GLY HA3 3.250 . 4.250 2.471 2.286 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 19 VAL HA 1 46 TYR HD1 4.120 . 4.120 4.194 4.170 4.222 0.102 25 0 "[ . 1 . 2 . 3]" 1
160 1 30 ALA MB 1 35 PHE HB2 3.960 . 4.960 2.221 2.066 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 13 GLN HA 1 49 GLN HA 3.130 . 3.130 1.948 1.898 2.079 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 12 VAL HA 1 75 VAL HA 3.160 . 3.160 2.296 2.243 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 10 TYR HA 1 77 LEU HA 3.180 . 3.180 2.828 2.752 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 14 ILE HA 1 73 ALA HA 3.110 . 3.110 2.099 1.900 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 37 SER HA 1 50 ILE HA 3.130 . 3.130 2.380 2.240 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 41 LEU HA 1 46 TYR HD1 4.280 . 4.280 4.255 4.154 4.333 0.053 29 0 "[ . 1 . 2 . 3]" 1
167 1 41 LEU HA 1 46 TYR HA 2.740 . 2.740 2.342 2.135 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 29 ASN HA 1 29 ASN HB3 3.000 . 3.000 2.601 2.545 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 29 ASN HA 1 32 ALA MB 3.390 . 4.390 2.865 2.630 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 14 ILE MG 1 73 ALA HA 3.210 . 4.210 2.027 1.965 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 14 ILE HB 1 73 ALA HA 4.300 . 4.300 3.769 3.628 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 23 ALA MB 1 48 VAL MG2 3.060 . 5.060 1.976 1.854 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 48 VAL HA 1 48 VAL MG2 3.140 . 4.140 2.355 2.239 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 23 ALA HA 1 48 VAL MG2 3.270 . 4.270 1.984 1.851 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 12 VAL MG2 1 59 ALA HA 3.400 . 4.400 1.979 1.927 2.033 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 12 VAL MG2 1 75 VAL MG2 3.240 . 4.240 2.528 2.491 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 74 ILE HA 1 74 ILE HB 2.990 . 2.990 2.481 2.448 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 63 ALA MB 1 74 ILE HA 3.820 . 4.820 2.711 2.453 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 74 ILE HA 1 74 ILE MG 3.170 . 4.170 2.297 2.208 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 50 ILE HA 1 50 ILE MG 3.290 . 4.290 2.197 1.965 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 14 ILE MG 1 71 PHE HB2 3.720 . 4.720 2.566 2.401 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 14 ILE MG 1 71 PHE HB3 3.680 . 4.680 2.699 2.566 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 35 PHE HB3 1 50 ILE MG 3.420 . 4.420 3.564 2.796 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 45 LEU HA 1 46 TYR HD1 4.380 . 4.380 3.091 2.867 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 12 VAL MG2 1 75 VAL HA 3.950 . 4.950 3.873 3.803 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 12 VAL MG2 1 59 ALA MB 3.060 . 5.060 2.357 2.254 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 27 ALA HA 1 48 VAL MG1 3.440 . 4.440 2.356 2.123 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 39 VAL HA 1 39 VAL MG2 2.900 . 3.900 2.457 2.340 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 65 ARG HA 1 65 ARG HG2 3.790 . 3.790 2.933 2.888 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 39 VAL MG1 1 46 TYR HB3 3.660 . 4.660 2.336 2.079 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 39 VAL MG1 1 46 TYR HB2 3.970 . 4.970 3.697 3.367 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 61 THR HA 1 61 THR HB 3.010 . 3.010 2.893 2.476 3.025 0.015 19 0 "[ . 1 . 2 . 3]" 1
193 1 11 LYS HA 1 11 LYS HG3 3.210 . 3.210 3.006 2.633 3.232 0.022 5 0 "[ . 1 . 2 . 3]" 1
194 1 12 VAL MG1 1 75 VAL MG2 3.810 . 5.810 1.924 1.817 2.023 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 12 VAL MG1 1 63 ALA MB 3.410 . 5.410 1.782 1.761 1.849 0.039 15 0 "[ . 1 . 2 . 3]" 1
196 1 14 ILE HA 1 14 ILE HG12 3.840 . 3.840 3.520 3.511 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 ILE HA 1 14 ILE MG 3.210 . 4.210 2.318 2.268 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 ILE HB 1 71 PHE HB2 3.870 . 3.870 3.930 3.903 3.986 0.116 25 0 "[ . 1 . 2 . 3]" 1
199 1 14 ILE MD 1 48 VAL MG1 3.500 . 5.500 1.817 1.774 1.866 0.026 26 0 "[ . 1 . 2 . 3]" 1
200 1 12 VAL HB 1 51 GLY HA3 4.180 . 4.180 4.179 4.084 4.204 0.024 9 0 "[ . 1 . 2 . 3]" 1
201 1 16 ALA HA 1 47 LYS HG3 3.680 . 3.680 3.569 3.207 3.712 0.032 23 0 "[ . 1 . 2 . 3]" 1
202 1 19 VAL MG1 1 21 ALA MB 3.290 . 5.290 2.198 2.005 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 19 VAL MG1 1 22 ASN HB2 3.810 . 4.810 3.283 3.023 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 20 LYS HA 1 20 LYS HG2 3.490 . 3.490 2.493 2.272 3.599 0.109 14 0 "[ . 1 . 2 . 3]" 1
205 1 20 LYS HB2 1 46 TYR HD1 4.220 . 4.220 4.084 3.437 4.257 0.037 14 0 "[ . 1 . 2 . 3]" 1
206 1 22 ASN HB2 1 23 ALA MB 4.190 . 5.190 4.069 3.938 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 62 LEU HB2 1 62 LEU MD2 3.270 . 4.270 2.247 2.134 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 12 VAL MG2 1 62 LEU HB3 3.410 . 4.410 1.777 1.753 1.797 0.047 26 0 "[ . 1 . 2 . 3]" 1
209 1 28 SER HA 1 31 GLU HB3 3.280 . 3.280 2.831 2.584 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 24 ASP HA 1 27 ALA MB 3.380 . 4.380 2.584 2.448 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 42 LYS HD2 1 43 ASP HA 3.660 . 3.660 3.829 3.776 3.912 0.252 30 0 "[ . 1 . 2 . 3]" 1
212 1 33 LYS HA 1 33 LYS HD3 3.380 . 3.380 2.351 1.985 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 33 LYS HA 1 33 LYS HG2 3.420 . 3.420 2.819 2.518 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 33 LYS HB3 1 33 LYS HD3 3.510 . 3.510 2.323 2.103 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 30 ALA HA 1 33 LYS HB2 4.160 . 4.160 3.288 3.137 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 27 ALA MB 1 37 SER HB2 3.890 . 4.890 1.980 1.892 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 27 ALA MB 1 37 SER HB3 3.790 . 4.790 2.992 1.967 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 30 ALA MB 1 37 SER HB3 4.010 . 5.010 2.604 2.268 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 37 SER HB2 1 48 VAL MG1 4.070 . 5.070 3.133 2.672 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 37 SER HB3 1 48 VAL MG1 4.100 . 5.100 4.041 2.671 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 37 SER HB3 1 50 ILE MG 4.050 . 5.050 2.215 1.999 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 38 ILE HA 1 38 ILE HG13 3.630 . 3.630 2.619 2.586 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 38 ILE HA 1 38 ILE HG12 4.250 . 4.250 3.679 3.657 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 38 ILE HA 1 38 ILE MG 3.370 . 4.370 3.162 3.149 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 74 ILE HG13 1 74 ILE MG 3.280 . 4.280 3.028 2.474 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 38 ILE HG13 1 39 VAL HA 4.360 . 4.360 3.918 3.870 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 51 GLY HA3 1 62 LEU MD2 3.530 . 4.530 2.712 2.515 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 63 ALA HA 1 73 ALA MB 3.310 . 4.310 1.864 1.817 1.957 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 59 ALA HA 1 62 LEU HB2 4.260 . 4.260 2.865 2.852 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 59 ALA MB 1 75 VAL MG1 3.120 . 5.120 1.683 1.666 1.702 0.134 22 0 "[ . 1 . 2 . 3]" 1
231 1 35 PHE HB2 1 35 PHE HD2 3.700 . 3.700 2.360 2.346 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 71 PHE HB2 1 71 PHE HD2 3.660 . 3.660 2.300 2.295 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 71 PHE HB3 1 71 PHE HD2 3.670 . 3.670 3.348 3.331 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 66 ALA MB 1 71 PHE HD2 3.970 . 4.970 2.155 2.078 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 35 PHE HE2 1 62 LEU MD1 3.570 . 4.570 2.925 2.876 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 35 PHE HD2 1 62 LEU MD1 3.510 . 4.510 2.476 2.445 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 17 PHE QD 1 26 LEU MD2 3.450 . 4.450 3.503 3.161 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 35 PHE HD2 1 50 ILE HG12 3.660 . 3.660 3.702 3.680 3.719 0.059 24 0 "[ . 1 . 2 . 3]" 1
239 1 33 LYS HE3 1 33 LYS HG3 4.250 . 4.250 3.377 2.830 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 33 LYS HE3 1 33 LYS HG2 3.960 . 3.960 2.375 1.996 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 67 LYS HA 1 67 LYS HG2 4.110 . 4.110 2.894 2.623 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 67 LYS HE2 1 67 LYS HG2 4.250 . 4.250 2.804 2.062 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 42 LYS HG2 1 47 LYS HE3 3.780 . 3.780 3.650 3.301 3.864 0.084 26 0 "[ . 1 . 2 . 3]" 1
244 1 9 LEU HA 1 9 LEU MD2 3.200 . 4.200 2.667 1.972 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 20 LYS H 1 22 ASN H 5.500 . 5.500 3.963 3.927 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 20 LYS H 1 23 ALA H 4.280 . 4.280 4.528 4.510 4.563 0.283 25 0 "[ . 1 . 2 . 3]" 1
247 1 19 VAL HA 1 20 LYS H 3.200 . 3.200 2.137 2.125 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 19 VAL HB 1 20 LYS H 5.420 . 5.420 4.083 4.046 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 20 LYS H 1 23 ALA MB 5.120 . 6.120 4.519 4.420 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 20 LYS H 1 20 LYS HB3 3.600 . 3.600 2.522 2.366 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 19 VAL MG1 1 20 LYS H 3.850 . 4.850 2.512 2.313 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 20 LYS H 1 20 LYS HB2 3.710 . 3.710 2.520 2.390 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 20 LYS H 1 20 LYS HG2 5.060 . 5.060 4.388 4.345 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 13 GLN H 1 14 ILE MD 5.500 . 6.500 5.240 4.886 5.285 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 13 GLN H 1 76 ILE H 4.780 . 4.780 4.802 4.790 4.824 0.044 8 0 "[ . 1 . 2 . 3]" 1
256 1 13 GLN H 1 74 ILE H 4.310 . 4.310 2.328 2.268 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 13 GLN H 1 49 GLN HA 5.500 . 5.500 4.643 4.548 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 13 GLN H 1 75 VAL HA 4.580 . 4.580 3.632 3.564 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 12 VAL HA 1 13 GLN H 3.160 . 3.160 2.223 2.211 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 13 GLN H 1 13 GLN HG2 5.060 . 5.060 4.561 4.482 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 13 GLN H 1 13 GLN HB2 3.910 . 3.910 3.063 2.967 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 13 GLN H 1 13 GLN HB3 4.120 . 4.120 2.805 2.701 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 13 GLN H 1 74 ILE HG12 4.840 . 4.840 4.017 3.641 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 12 VAL MG2 1 13 GLN H 4.450 . 5.450 4.324 4.258 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 13 GLN H 1 75 VAL MG2 5.060 . 6.060 4.459 4.382 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 13 GLN H 1 76 ILE MG 5.380 . 6.380 4.500 4.159 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 12 VAL MG1 1 13 GLN H 4.070 . 5.070 2.470 2.284 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 39 VAL HA 1 40 LEU H 3.090 . 3.090 2.170 2.152 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 40 LEU H 1 46 TYR HB3 5.500 . 5.500 4.660 4.304 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 39 VAL HB 1 40 LEU H 4.940 . 4.940 4.273 4.211 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 40 LEU H 1 47 LYS HD3 4.910 . 4.910 4.434 3.193 5.037 0.127 11 0 "[ . 1 . 2 . 3]" 1
272 1 40 LEU H 1 40 LEU HB3 3.530 . 3.530 2.356 2.294 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 40 LEU H 1 48 VAL MG2 5.500 . 6.500 4.604 4.492 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 39 VAL MG1 1 40 LEU H 3.620 . 4.620 2.910 2.766 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 56 LYS H 1 57 ASP HB3 5.500 . 5.500 5.313 4.952 5.503 0.003 17 0 "[ . 1 . 2 . 3]" 1
276 1 10 TYR HD1 1 56 LYS H 4.480 . 4.480 4.572 4.558 4.582 0.102 14 0 "[ . 1 . 2 . 3]" 1
277 1 55 SER HA 1 56 LYS H 3.490 . 3.490 2.154 2.147 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 55 SER HB2 1 56 LYS H 4.930 . 4.930 4.383 4.021 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 56 LYS H 1 56 LYS HB3 3.840 . 3.840 2.721 2.596 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 42 LYS H 1 47 LYS H 5.260 . 5.260 4.140 3.773 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 42 LYS H 1 44 GLY H 5.500 . 5.500 4.385 4.118 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 42 LYS H 1 46 TYR HD1 5.500 . 5.500 4.871 4.406 5.244 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 41 LEU HA 1 42 LYS H 3.350 . 3.350 2.118 2.107 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 42 LYS H 1 42 LYS HE2 5.500 . 5.500 4.679 3.587 5.520 0.020 15 0 "[ . 1 . 2 . 3]" 1
285 1 42 LYS H 1 47 LYS HE2 5.500 . 5.500 3.579 2.291 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 42 LYS H 1 42 LYS HB3 3.710 . 3.710 2.663 2.342 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 42 LYS H 1 42 LYS HG3 5.080 . 5.080 2.783 2.206 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 41 LEU HG 1 42 LYS H 4.250 . 4.250 3.972 3.666 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 41 LEU MD2 1 42 LYS H 5.150 . 6.150 4.795 4.657 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 41 LEU MD1 1 42 LYS H 3.720 . 4.720 2.231 2.128 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 10 TYR HD1 1 78 GLU H 5.500 . 5.500 5.276 5.120 5.435 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 8 GLY HA2 1 78 GLU H 5.500 . 5.500 4.595 4.039 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 78 GLU H 1 78 GLU HG2 4.480 . 4.480 3.618 2.902 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 9 LEU HB2 1 78 GLU H 5.120 . 5.120 3.344 3.173 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 77 LEU MD2 1 78 GLU H 5.500 . 6.500 4.993 4.788 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 11 LYS H 1 78 GLU H 5.240 . 5.240 4.266 4.081 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 9 LEU H 1 78 GLU H 4.570 . 4.570 2.420 2.203 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 10 TYR HA 1 78 GLU H 4.740 . 4.740 3.941 3.768 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 77 LEU HA 1 78 GLU H 3.230 . 3.230 2.174 2.151 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 77 LEU HB2 1 78 GLU H 5.140 . 5.140 4.325 4.196 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 77 LEU HG 1 78 GLU H 4.630 . 4.630 3.800 3.596 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 77 LEU MD1 1 78 GLU H 3.910 . 4.910 2.935 2.652 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 48 VAL H 1 49 GLN H 4.910 . 4.910 4.040 3.952 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 49 GLN H 1 50 ILE HA 5.500 . 5.500 5.098 5.022 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 48 VAL HA 1 49 GLN H 3.170 . 3.170 2.154 2.111 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 49 GLN H 1 49 GLN HG3 4.760 . 4.760 4.664 4.530 4.801 0.041 9 0 "[ . 1 . 2 . 3]" 1
307 1 49 GLN H 1 49 GLN HG2 5.210 . 5.210 4.449 4.322 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 49 GLN H 1 49 GLN HB3 4.010 . 4.010 2.572 2.396 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 38 ILE HB 1 49 GLN H 5.500 . 5.500 5.069 4.981 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 38 ILE HG13 1 49 GLN H 4.990 . 4.990 4.903 4.833 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 48 VAL MG2 1 49 GLN H 4.730 . 5.730 4.162 4.059 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 38 ILE HG12 1 49 GLN H 5.500 . 5.500 4.034 3.941 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 38 ILE MG 1 49 GLN H 4.590 . 5.590 2.290 2.191 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 48 VAL MG1 1 49 GLN H 4.050 . 5.050 3.112 2.886 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 49 GLN H 1 50 ILE MG 5.500 . 6.500 4.108 3.981 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 11 LYS H 1 77 LEU H 5.500 . 5.500 5.304 5.266 5.362 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 77 LEU H 1 78 GLU H 5.500 . 5.500 4.249 4.179 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 10 TYR HD1 1 77 LEU H 5.260 . 5.260 4.666 4.619 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 10 TYR HA 1 77 LEU H 5.120 . 5.120 4.932 4.898 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 76 ILE HA 1 77 LEU H 3.080 . 3.080 2.185 2.165 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 77 LEU H 1 77 LEU HB2 3.390 . 3.390 3.026 2.933 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 76 ILE HG12 1 77 LEU H 5.360 . 5.360 4.353 2.300 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 77 LEU H 1 77 LEU HB3 3.830 . 3.830 2.281 2.242 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 76 ILE HG13 1 77 LEU H 5.150 . 5.150 3.860 2.682 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 76 ILE MG 1 77 LEU H 4.320 . 5.320 3.760 3.652 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 77 LEU H 1 77 LEU MD2 5.050 . 6.050 4.195 4.090 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 77 LEU H 1 77 LEU MD1 5.200 . 6.200 4.324 4.251 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 10 TYR HE1 1 77 LEU H 5.500 . 5.500 5.513 5.489 5.523 0.023 21 0 "[ . 1 . 2 . 3]" 1
329 1 76 ILE H 1 77 LEU H 5.500 . 5.500 4.334 4.304 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 75 VAL HA 1 76 ILE H 3.190 . 3.190 2.177 2.166 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 12 VAL HA 1 76 ILE H 4.990 . 4.990 3.576 3.477 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 10 TYR HA 1 76 ILE H 5.500 . 5.500 4.121 4.060 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 10 TYR HB3 1 76 ILE H 5.500 . 5.500 5.008 4.921 5.078 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 75 VAL HB 1 76 ILE H 5.050 . 5.050 4.094 4.046 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 11 LYS HB2 1 76 ILE H 5.090 . 5.090 4.279 4.233 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 11 LYS HB3 1 76 ILE H 5.500 . 5.500 5.508 5.474 5.531 0.031 17 0 "[ . 1 . 2 . 3]" 1
337 1 76 ILE H 1 76 ILE HG12 4.430 . 4.430 3.297 2.362 4.557 0.127 4 0 "[ . 1 . 2 . 3]" 1
338 1 12 VAL MG2 1 76 ILE H 5.460 . 6.460 4.930 4.866 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 75 VAL MG1 1 76 ILE H 3.540 . 4.540 2.438 2.381 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 76 ILE H 1 76 ILE MG 4.470 . 5.470 2.845 2.033 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 76 ILE H 1 76 ILE MD 5.500 . 6.500 4.178 3.787 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 40 LEU H 1 41 LEU H 5.240 . 5.240 4.367 4.347 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 41 LEU H 1 42 LYS H 5.500 . 5.500 4.357 4.259 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 41 LEU H 1 41 LEU HB3 3.570 . 3.570 2.249 2.187 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 40 LEU HG 1 41 LEU H 3.880 . 3.880 3.936 3.884 3.984 0.104 21 0 "[ . 1 . 2 . 3]" 1
346 1 39 VAL MG1 1 41 LEU H 5.500 . 6.500 4.228 4.089 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 40 LEU MD2 1 41 LEU H 4.660 . 5.660 4.629 4.518 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 41 LEU H 1 41 LEU MD2 4.770 . 5.770 4.257 4.211 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 41 LEU H 1 41 LEU MD1 5.090 . 6.090 4.170 4.118 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 40 LEU H 1 47 LYS H 4.150 . 4.150 2.789 2.581 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 47 LYS H 1 48 VAL H 5.440 . 5.440 4.509 4.481 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 16 ALA HA 1 47 LYS H 5.500 . 5.500 4.544 4.336 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 46 TYR HA 1 47 LYS H 3.170 . 3.170 2.194 2.158 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 47 LYS H 1 47 LYS HE3 5.060 . 5.060 3.850 2.647 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 46 TYR HB3 1 47 LYS H 4.690 . 4.690 3.193 3.052 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 47 LYS H 1 47 LYS HD3 3.750 . 3.750 2.578 1.988 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 47 LYS H 1 47 LYS HG3 4.040 . 4.040 3.693 2.629 4.200 0.160 14 0 "[ . 1 . 2 . 3]" 1
358 1 47 LYS H 1 47 LYS HG2 4.690 . 4.690 4.283 3.883 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 39 VAL MG1 1 47 LYS H 4.590 . 5.590 3.285 3.141 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 40 LEU MD2 1 47 LYS H 5.500 . 6.500 4.965 4.635 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 41 LEU MD1 1 47 LYS H 5.500 . 6.500 5.025 4.515 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 72 ASP H 1 73 ALA H 5.090 . 5.090 3.792 3.747 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 14 ILE HA 1 72 ASP H 5.500 . 5.500 4.349 4.167 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 71 PHE HA 1 72 ASP H 3.280 . 3.280 2.298 2.289 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 71 PHE HB2 1 72 ASP H 4.060 . 4.060 3.553 3.475 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 72 ASP H 1 72 ASP HB2 3.910 . 3.910 2.692 2.543 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 72 ASP H 1 72 ASP HB3 3.780 . 3.780 2.589 2.515 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 71 PHE HB3 1 72 ASP H 4.520 . 4.520 2.992 2.922 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 14 ILE HB 1 72 ASP H 5.130 . 5.130 3.186 3.101 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 72 ASP H 1 73 ALA MB 5.500 . 6.500 4.784 4.675 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 66 ALA MB 1 72 ASP H 5.500 . 6.500 4.517 4.477 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 14 ILE MG 1 72 ASP H 5.110 . 6.110 3.461 3.216 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 14 ILE MD 1 72 ASP H 5.500 . 6.500 5.369 5.277 5.525 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 42 LYS HB3 1 43 ASP H 5.500 . 5.500 3.911 3.478 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 42 LYS HG3 1 43 ASP H 5.500 . 5.500 3.908 3.482 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 39 VAL H 1 40 LEU H 5.140 . 5.140 4.267 4.225 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 38 ILE H 1 39 VAL H 5.200 . 5.200 4.252 4.222 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 38 ILE HA 1 39 VAL H 3.050 . 3.050 2.213 2.189 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 39 VAL H 1 39 VAL HB 3.430 . 3.430 2.698 2.638 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 38 ILE HB 1 39 VAL H 4.000 . 4.000 3.919 3.873 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 38 ILE HG13 1 39 VAL H 4.210 . 4.210 2.193 2.107 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 38 ILE HG12 1 39 VAL H 4.670 . 4.670 3.591 3.477 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 39 VAL H 1 39 VAL MG2 3.600 . 4.600 2.556 2.354 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 78 GLU H 1 79 SER H 5.500 . 5.500 4.403 4.226 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 78 GLU HA 1 79 SER H 3.270 . 3.270 2.169 2.135 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 78 GLU HG2 1 79 SER H 4.650 . 4.650 4.275 3.806 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 78 GLU HB3 1 79 SER H 4.790 . 4.790 3.355 2.717 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 78 GLU HB2 1 79 SER H 4.630 . 4.630 4.265 3.802 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 36 ASP H 1 50 ILE HA 5.500 . 5.500 4.178 3.928 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 35 PHE HA 1 36 ASP H 3.340 . 3.340 2.331 2.296 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 35 PHE HB2 1 36 ASP H 4.010 . 4.010 3.562 3.402 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 36 ASP H 1 36 ASP HB3 4.050 . 4.050 3.243 2.563 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 36 ASP H 1 36 ASP HB2 3.650 . 3.650 2.399 2.149 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 35 PHE HB3 1 36 ASP H 4.510 . 4.510 2.622 2.486 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 36 ASP H 1 50 ILE MG 5.160 . 6.160 4.435 3.560 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 36 ASP H 1 50 ILE MD 5.500 . 6.500 5.056 4.966 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 17 PHE QD 1 23 ALA H 4.750 . 4.750 3.985 3.725 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 21 ALA HA 1 23 ALA H 5.470 . 5.470 4.243 4.144 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 20 LYS HA 1 23 ALA H 4.530 . 4.530 2.895 2.744 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 22 ASN HB3 1 23 ALA H 4.320 . 4.320 3.678 3.499 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 22 ASN HB2 1 23 ALA H 4.660 . 4.660 2.839 2.770 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 23 ALA H 1 23 ALA MB 3.400 . 4.400 2.193 2.118 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 21 ALA MB 1 23 ALA H 5.040 . 6.040 4.448 4.380 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 19 VAL MG1 1 23 ALA H 5.370 . 6.370 4.003 3.880 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 23 ALA H 1 25 SER H 5.240 . 5.240 4.162 4.109 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 23 ALA H 1 24 ASP HB2 5.500 . 5.500 4.337 4.257 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 23 ALA H 1 39 VAL MG2 5.320 . 6.320 4.855 4.620 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 75 VAL H 1 76 ILE H 5.390 . 5.390 4.490 4.457 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 12 VAL HA 1 75 VAL H 5.500 . 5.500 4.564 4.520 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 74 ILE HA 1 75 VAL H 3.100 . 3.100 2.332 2.297 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 75 VAL H 1 75 VAL HB 3.400 . 3.400 2.545 2.512 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 74 ILE HB 1 75 VAL H 3.700 . 3.700 2.657 2.439 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 63 ALA MB 1 75 VAL H 4.540 . 5.540 3.471 3.322 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 74 ILE HG13 1 75 VAL H 4.980 . 4.980 4.164 3.904 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 75 VAL H 1 75 VAL MG2 3.580 . 4.580 2.635 2.586 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 60 ASP HB2 1 62 LEU H 5.500 . 5.500 4.899 4.782 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 62 LEU H 1 65 ARG H 5.500 . 5.500 4.642 4.594 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 61 THR HB 1 62 LEU H 3.860 . 3.860 2.991 2.636 3.936 0.076 14 0 "[ . 1 . 2 . 3]" 1
419 1 59 ALA HA 1 62 LEU H 4.600 . 4.600 3.510 3.486 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 62 LEU H 1 62 LEU HB2 3.660 . 3.660 2.173 2.152 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 62 LEU H 1 62 LEU HB3 3.620 . 3.620 2.864 2.856 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 62 LEU H 1 62 LEU MD1 4.370 . 5.370 4.160 4.149 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 61 THR MG 1 62 LEU H 4.070 . 5.070 3.769 2.042 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 62 LEU H 1 75 VAL MG2 5.500 . 6.500 4.395 4.344 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 26 LEU H 1 27 ALA H 3.570 . 3.570 2.674 2.631 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 26 LEU H 1 28 SER H 5.100 . 5.100 3.768 3.710 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 25 SER HB3 1 26 LEU H 3.690 . 3.690 2.755 2.641 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 23 ALA HA 1 26 LEU H 4.350 . 4.350 3.569 3.490 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 26 LEU H 1 26 LEU HB3 3.480 . 3.480 2.507 2.333 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 26 LEU H 1 26 LEU HB2 3.550 . 3.550 2.464 2.362 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 26 LEU H 1 26 LEU HG 4.660 . 4.660 4.482 4.360 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 26 LEU H 1 27 ALA MB 4.720 . 5.720 4.230 4.193 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 26 LEU H 1 26 LEU MD1 4.630 . 5.630 3.975 3.868 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 26 LEU H 1 26 LEU MD2 4.420 . 5.420 4.182 4.166 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 26 LEU H 1 48 VAL MG1 5.500 . 6.500 4.215 3.961 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 57 ASP HA 1 59 ALA H 4.680 . 4.680 4.700 4.659 4.718 0.038 26 0 "[ . 1 . 2 . 3]" 1
437 1 55 SER HB3 1 59 ALA H 5.500 . 5.500 5.151 4.939 5.517 0.017 13 0 "[ . 1 . 2 . 3]" 1
438 1 53 PHE HB3 1 59 ALA H 5.500 . 5.500 5.508 5.474 5.535 0.035 26 0 "[ . 1 . 2 . 3]" 1
439 1 56 LYS HA 1 59 ALA H 4.450 . 4.450 3.150 3.052 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 58 ASN HB3 1 59 ALA H 4.640 . 4.640 3.493 3.232 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 58 ASN HB2 1 59 ALA H 5.000 . 5.000 2.433 2.382 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 59 ALA H 1 59 ALA MB 3.490 . 4.490 2.187 2.145 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 12 VAL MG2 1 59 ALA H 5.500 . 6.500 4.261 4.219 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 59 ALA H 1 75 VAL MG2 5.500 . 6.500 4.174 4.090 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 56 LYS HG2 1 59 ALA H 5.500 . 5.500 4.892 4.500 5.290 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 11 LYS H 1 76 ILE H 4.380 . 4.380 2.993 2.924 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 10 TYR HD1 1 11 LYS H 4.950 . 4.950 4.535 4.475 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 11 LYS H 1 75 VAL HA 5.390 . 5.390 4.448 4.387 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 10 TYR HA 1 11 LYS H 3.260 . 3.260 2.129 2.123 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 11 LYS H 1 77 LEU HA 4.620 . 4.620 3.860 3.733 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 10 TYR HB2 1 11 LYS H 5.140 . 5.140 4.333 4.323 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 10 TYR HB3 1 11 LYS H 4.720 . 4.720 3.733 3.716 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 11 LYS H 1 78 GLU HG3 5.500 . 5.500 4.945 4.216 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 11 LYS H 1 11 LYS HB2 3.950 . 3.950 2.821 2.783 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 11 LYS H 1 11 LYS HB3 4.070 . 4.070 3.837 3.827 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 11 LYS H 1 11 LYS HG2 4.210 . 4.210 4.003 3.749 4.235 0.025 21 0 "[ . 1 . 2 . 3]" 1
457 1 9 LEU HB3 1 11 LYS H 5.430 . 5.430 4.821 4.588 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 11 LYS H 1 75 VAL MG1 4.640 . 5.640 3.281 3.233 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 11 LYS H 1 77 LEU MD1 5.500 . 6.500 5.169 4.951 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 11 LYS H 1 53 PHE H 5.500 . 5.500 4.926 4.845 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 9 LEU H 1 11 LYS H 5.500 . 5.500 5.632 5.606 5.660 0.160 18 0 "[ . 1 . 2 . 3]" 1
462 1 9 LEU HA 1 11 LYS H 5.500 . 5.500 5.579 5.560 5.604 0.104 15 0 "[ . 1 . 2 . 3]" 1
463 1 11 LYS H 1 76 ILE MG 5.500 . 6.500 4.645 3.041 5.429 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 63 ALA H 1 66 ALA H 5.500 . 5.500 4.630 4.593 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 66 ALA H 1 67 LYS H 4.310 . 4.310 2.585 2.576 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 66 ALA H 1 68 ASN H 5.260 . 5.260 4.103 4.076 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 65 ARG H 1 66 ALA H 3.490 . 3.490 2.569 2.548 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 35 PHE HE2 1 66 ALA H 4.840 . 4.840 3.576 3.430 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 62 LEU HA 1 66 ALA H 5.000 . 5.000 4.285 4.237 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 63 ALA HA 1 66 ALA H 4.330 . 4.330 3.344 3.282 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 65 ARG HB3 1 66 ALA H 3.620 . 3.620 2.675 2.620 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 66 ALA H 1 67 LYS HB2 5.020 . 5.020 4.562 4.418 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 65 ARG HG2 1 66 ALA H 5.440 . 5.440 4.453 4.385 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 64 ALA MB 1 66 ALA H 5.500 . 6.500 4.502 4.464 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 62 LEU MD1 1 66 ALA H 4.830 . 5.830 3.420 3.351 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 66 ALA H 1 73 ALA MB 5.040 . 6.040 3.306 3.202 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 66 ALA H 1 66 ALA MB 3.190 . 4.190 2.050 2.039 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 50 ILE MD 1 66 ALA H 5.180 . 6.180 4.087 4.031 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 66 ALA H 1 67 LYS HA 5.120 . 5.120 5.199 5.193 5.205 0.085 3 0 "[ . 1 . 2 . 3]" 1
480 1 16 ALA H 1 17 PHE H 5.270 . 5.270 4.266 4.187 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 16 ALA H 1 17 PHE QD 4.710 . 4.710 4.115 3.993 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 15 GLY H 1 16 ALA H 5.410 . 5.410 4.402 4.374 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 16 ALA H 1 47 LYS HA 5.470 . 5.470 4.559 4.394 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 15 GLY HA3 1 16 ALA H 3.410 . 3.410 2.576 2.465 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 12 VAL H 1 52 ALA H 5.500 . 5.500 4.951 4.880 5.025 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 52 ALA H 1 53 PHE HD1 4.830 . 4.830 4.220 4.020 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 51 GLY HA2 1 52 ALA H 3.240 . 3.240 2.169 2.143 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 26 LEU H 1 29 ASN H 5.500 . 5.500 4.806 4.745 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 24 ASP HB2 1 26 LEU H 5.500 . 5.500 5.387 5.049 5.506 0.006 19 0 "[ . 1 . 2 . 3]" 1
490 1 27 ALA H 1 29 ASN H 5.250 . 5.250 4.336 4.273 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 29 ASN H 1 30 ALA H 3.550 . 3.550 2.751 2.687 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 28 SER H 1 29 ASN H 3.690 . 3.690 2.543 2.518 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 26 LEU HA 1 29 ASN H 3.880 . 3.880 3.324 3.235 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 25 SER HA 1 29 ASN H 4.980 . 4.980 4.529 4.412 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 28 SER HB3 1 29 ASN H 3.620 . 3.620 3.030 2.587 3.626 0.006 2 0 "[ . 1 . 2 . 3]" 1
496 1 29 ASN H 1 29 ASN HB3 3.140 . 3.140 2.271 2.209 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 27 ALA MB 1 29 ASN H 5.350 . 6.350 4.720 4.594 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 26 LEU MD1 1 29 ASN H 5.340 . 6.340 4.362 4.220 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 29 ASN H 1 30 ALA MB 4.860 . 5.860 4.361 4.274 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 31 GLU HG3 1 32 ALA H 5.190 . 5.190 5.022 4.360 5.194 0.004 28 0 "[ . 1 . 2 . 3]" 1
501 1 31 GLU HB3 1 32 ALA H 3.600 . 3.600 2.691 2.672 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 32 ALA H 1 32 ALA MB 3.060 . 4.060 2.119 2.027 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 32 ALA H 1 34 GLY HA2 5.220 . 5.220 5.410 5.396 5.425 0.205 17 0 "[ . 1 . 2 . 3]" 1
504 1 73 ALA H 1 74 ILE H 5.220 . 5.220 4.564 4.547 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 67 LYS HA 1 73 ALA H 4.510 . 4.510 3.609 3.516 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 72 ASP HA 1 73 ALA H 3.140 . 3.140 2.425 2.409 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 63 ALA HA 1 73 ALA H 5.500 . 5.500 4.464 4.395 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 71 PHE HB2 1 73 ALA H 5.160 . 5.160 3.569 3.501 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 72 ASP HB2 1 73 ALA H 5.090 . 5.090 4.672 4.658 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 72 ASP HB3 1 73 ALA H 5.020 . 5.020 4.468 4.420 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 71 PHE HB3 1 73 ALA H 5.500 . 5.500 4.626 4.558 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 67 LYS HB2 1 73 ALA H 5.180 . 5.180 4.868 4.558 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 67 LYS HG3 1 73 ALA H 4.240 . 4.240 2.843 2.450 4.257 0.017 13 0 "[ . 1 . 2 . 3]" 1
514 1 63 ALA MB 1 73 ALA H 5.500 . 6.500 4.522 4.430 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 73 ALA H 1 73 ALA MB 3.280 . 4.280 2.250 2.221 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 66 ALA MB 1 73 ALA H 5.240 . 6.240 2.383 2.334 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 14 ILE MG 1 73 ALA H 4.920 . 5.920 2.743 2.651 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 65 ARG H 1 67 LYS H 5.050 . 5.050 4.032 3.980 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 67 LYS H 1 73 ALA H 5.500 . 5.500 3.708 3.629 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 67 LYS H 1 68 ASN HA 5.500 . 5.500 5.280 5.268 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 65 ARG HA 1 67 LYS H 5.500 . 5.500 4.369 4.297 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 64 ALA HA 1 67 LYS H 4.050 . 4.050 3.299 3.251 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 63 ALA HA 1 67 LYS H 5.010 . 5.010 4.322 4.246 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 67 LYS H 1 67 LYS HE2 5.080 . 5.080 4.850 4.587 5.089 0.009 15 0 "[ . 1 . 2 . 3]" 1
525 1 65 ARG HB3 1 67 LYS H 5.500 . 5.500 5.006 4.931 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 67 LYS H 1 67 LYS HB2 3.230 . 3.230 2.301 2.126 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 67 LYS H 1 67 LYS HD2 3.890 . 3.890 3.357 2.732 3.913 0.023 14 0 "[ . 1 . 2 . 3]" 1
528 1 63 ALA MB 1 67 LYS H 5.500 . 6.500 4.629 4.563 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 67 LYS H 1 73 ALA MB 4.340 . 5.340 3.314 3.208 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 66 ALA MB 1 67 LYS H 3.760 . 4.760 2.690 2.648 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 64 ALA MB 1 67 LYS H 5.500 . 6.500 4.499 4.458 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 62 LEU H 1 63 ALA H 3.660 . 3.660 2.553 2.524 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 60 ASP HA 1 63 ALA H 4.350 . 4.350 3.550 3.483 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 61 THR HA 1 63 ALA H 5.500 . 5.500 4.723 4.672 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 62 LEU HB2 1 63 ALA H 3.970 . 3.970 3.178 3.153 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 62 LEU HB3 1 63 ALA H 4.240 . 4.240 2.182 2.140 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 63 ALA H 1 64 ALA MB 5.250 . 6.250 4.497 4.440 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 63 ALA H 1 63 ALA MB 3.230 . 4.230 2.046 2.022 2.123 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 12 VAL MG2 1 63 ALA H 4.100 . 5.100 2.746 2.660 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 63 ALA H 1 75 VAL MG2 4.550 . 5.550 3.249 3.136 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 12 VAL MG1 1 63 ALA H 4.480 . 5.480 2.490 2.206 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 30 ALA H 1 31 GLU H 3.940 . 3.940 2.661 2.616 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 31 GLU H 1 32 ALA H 3.660 . 3.660 2.715 2.697 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 31 GLU H 1 33 LYS H 5.470 . 5.470 4.498 4.441 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 29 ASN HA 1 31 GLU H 5.500 . 5.500 4.376 4.328 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 28 SER HA 1 31 GLU H 4.090 . 4.090 3.421 3.372 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 27 ALA HA 1 31 GLU H 5.430 . 5.430 4.292 4.226 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 31 GLU H 1 37 SER HB2 5.500 . 5.500 4.719 4.183 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 29 ASN HB3 1 31 GLU H 5.500 . 5.500 5.595 5.574 5.617 0.117 25 0 "[ . 1 . 2 . 3]" 1
550 1 31 GLU H 1 31 GLU HG3 4.430 . 4.430 4.403 4.290 4.457 0.027 24 0 "[ . 1 . 2 . 3]" 1
551 1 31 GLU H 1 31 GLU HB3 3.260 . 3.260 2.662 2.499 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 31 GLU H 1 32 ALA MB 5.070 . 6.070 4.307 4.241 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 27 ALA MB 1 31 GLU H 5.500 . 6.500 4.678 4.544 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 30 ALA MB 1 31 GLU H 3.720 . 4.720 2.610 2.505 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 28 SER HB3 1 31 GLU H 5.500 . 5.500 5.321 5.221 5.477 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 30 ALA H 1 71 PHE HE2 5.030 . 5.030 4.946 4.827 5.064 0.034 3 0 "[ . 1 . 2 . 3]" 1
557 1 26 LEU HA 1 30 ALA H 4.760 . 4.760 4.534 4.391 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 27 ALA HA 1 30 ALA H 4.510 . 4.510 3.642 3.379 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 29 ASN HB3 1 30 ALA H 3.570 . 3.570 3.590 3.517 3.661 0.091 23 0 "[ . 1 . 2 . 3]" 1
560 1 26 LEU HG 1 30 ALA H 5.500 . 5.500 4.772 4.659 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 27 ALA MB 1 30 ALA H 5.500 . 6.500 4.831 4.566 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 26 LEU MD1 1 30 ALA H 5.240 . 6.240 4.342 3.943 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 30 ALA H 1 30 ALA MB 3.240 . 4.240 2.159 2.017 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 14 ILE MD 1 30 ALA H 5.180 . 6.180 3.857 3.682 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 16 ALA H 1 48 VAL H 5.500 . 5.500 4.749 4.654 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 23 ALA MB 1 48 VAL H 5.500 . 6.500 4.459 4.331 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 27 ALA H 1 28 SER H 3.740 . 3.740 2.633 2.600 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 24 ASP HA 1 27 ALA H 4.330 . 4.330 3.427 3.303 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 27 ALA H 1 28 SER HB2 5.240 . 5.240 4.592 4.417 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 25 SER HB3 1 27 ALA H 5.500 . 5.500 5.265 5.132 5.503 0.003 2 0 "[ . 1 . 2 . 3]" 1
571 1 26 LEU HB2 1 27 ALA H 4.430 . 4.430 3.712 3.620 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 27 ALA H 1 27 ALA MB 3.180 . 4.180 2.101 2.034 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 27 ALA H 1 48 VAL MG2 4.160 . 5.160 2.957 2.571 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 27 ALA H 1 48 VAL MG1 4.290 . 5.290 2.545 2.217 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 17 PHE QD 1 48 VAL H 5.330 . 5.330 5.323 5.299 5.346 0.016 28 0 "[ . 1 . 2 . 3]" 1
576 1 15 GLY H 1 48 VAL H 4.500 . 4.500 3.508 3.360 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 16 ALA HA 1 48 VAL H 4.350 . 4.350 3.115 2.907 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 47 LYS HA 1 48 VAL H 3.200 . 3.200 2.238 2.202 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 15 GLY HA2 1 48 VAL H 5.500 . 5.500 4.837 4.779 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 48 VAL H 1 48 VAL HB 3.760 . 3.760 2.643 2.594 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 47 LYS HB2 1 48 VAL H 4.310 . 4.310 3.849 3.366 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 48 VAL H 1 48 VAL MG2 3.660 . 4.660 2.781 2.612 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 9 LEU H 1 79 SER H 5.500 . 5.500 4.605 4.050 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 9 LEU H 1 10 TYR H 4.980 . 4.980 4.296 4.279 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 9 LEU H 1 10 TYR HD1 5.500 . 5.500 5.534 5.512 5.558 0.058 3 0 "[ . 1 . 2 . 3]" 1
586 1 9 LEU H 1 10 TYR HA 5.110 . 5.110 4.600 4.589 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 9 LEU H 1 77 LEU HA 5.500 . 5.500 3.362 3.258 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 9 LEU H 1 79 SER HA 5.150 . 5.150 3.847 3.360 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 8 GLY HA3 1 9 LEU H 3.560 . 3.560 2.586 2.141 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 9 LEU H 1 78 GLU HB3 5.500 . 5.500 4.634 4.103 5.203 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 9 LEU H 1 78 GLU HB2 5.500 . 5.500 3.680 3.131 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 9 LEU H 1 9 LEU MD2 4.700 . 5.700 4.257 2.926 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 9 LEU H 1 77 LEU MD1 4.460 . 5.460 1.967 1.889 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 45 LEU H 1 46 TYR H 5.150 . 5.150 4.443 4.405 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 42 LYS H 1 45 LEU H 4.150 . 4.150 3.323 3.075 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 41 LEU HA 1 45 LEU H 5.320 . 5.320 4.868 4.348 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 42 LYS HA 1 45 LEU H 5.500 . 5.500 4.617 4.391 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 43 ASP HA 1 45 LEU H 5.500 . 5.500 4.534 4.228 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 45 LEU H 1 45 LEU HB2 3.620 . 3.620 2.919 2.722 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 45 LEU H 1 45 LEU HG 4.100 . 4.100 2.870 2.300 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 42 LYS HG2 1 45 LEU H 5.500 . 5.500 3.778 3.189 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 45 LEU H 1 45 LEU MD2 4.470 . 5.470 3.512 2.873 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 41 LEU MD1 1 45 LEU H 4.090 . 5.090 3.093 2.289 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 67 LYS H 1 69 ALA H 5.070 . 5.070 3.671 3.661 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 68 ASN H 1 69 ALA H 3.610 . 3.610 2.448 2.436 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 67 LYS HA 1 69 ALA H 5.100 . 5.100 4.037 4.015 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 65 ARG HA 1 69 ALA H 5.500 . 5.500 4.011 3.981 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 66 ALA HA 1 69 ALA H 4.360 . 4.360 3.193 3.174 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 68 ASN HB2 1 69 ALA H 3.850 . 3.850 3.814 3.785 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 69 ALA H 1 69 ALA MB 3.310 . 4.310 2.237 2.230 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 66 ALA MB 1 69 ALA H 5.470 . 6.470 4.301 4.284 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 38 ILE H 1 49 GLN H 4.200 . 4.200 2.920 2.582 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 38 ILE H 1 50 ILE HA 4.510 . 4.510 3.967 3.614 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 37 SER HA 1 38 ILE H 3.120 . 3.120 2.300 2.102 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 38 ILE H 1 48 VAL HA 5.340 . 5.340 3.825 3.652 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 37 SER HB3 1 38 ILE H 4.010 . 4.010 3.820 2.627 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 38 ILE H 1 38 ILE HG12 4.570 . 4.570 4.428 4.280 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 38 ILE H 1 38 ILE MG 3.910 . 4.910 2.254 1.967 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 38 ILE H 1 48 VAL MG1 4.810 . 5.810 3.223 2.942 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 38 ILE H 1 50 ILE MG 4.730 . 5.730 3.042 2.957 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 69 ALA H 1 70 GLY HA3 5.500 . 5.500 5.131 5.120 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 74 ILE H 1 75 VAL H 5.360 . 5.360 4.419 4.410 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 14 ILE HA 1 74 ILE H 4.430 . 4.430 3.474 3.425 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 12 VAL HA 1 74 ILE H 5.460 . 5.460 3.966 3.919 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 73 ALA HA 1 74 ILE H 3.230 . 3.230 2.186 2.177 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 13 GLN HB2 1 74 ILE H 5.350 . 5.350 4.885 4.765 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 74 ILE H 1 74 ILE HG12 4.320 . 4.320 2.971 2.501 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 74 ILE H 1 74 ILE HG13 3.530 . 3.530 2.330 2.050 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 74 ILE H 1 74 ILE MG 4.190 . 5.190 3.071 2.965 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 12 VAL MG1 1 74 ILE H 4.870 . 5.870 2.582 2.483 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 14 ILE MG 1 74 ILE H 4.660 . 5.660 3.623 3.499 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 60 ASP H 1 62 LEU H 5.270 . 5.270 4.040 3.999 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 59 ALA H 1 60 ASP H 3.840 . 3.840 2.753 2.702 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 56 LYS HA 1 60 ASP H 5.000 . 5.000 4.078 3.947 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 60 ASP H 1 60 ASP HB2 3.580 . 3.580 2.285 2.225 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 60 ASP H 1 60 ASP HB3 3.940 . 3.940 3.540 3.517 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 60 ASP H 1 62 LEU HB2 5.500 . 5.500 5.198 5.140 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 59 ALA MB 1 60 ASP H 3.600 . 4.600 2.503 2.440 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 12 VAL MG2 1 60 ASP H 5.500 . 6.500 4.460 4.403 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 60 ASP H 1 75 VAL MG2 4.380 . 5.380 2.785 2.710 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 56 LYS HG2 1 60 ASP H 5.500 . 5.500 4.108 3.917 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 67 LYS H 1 68 ASN H 3.610 . 3.610 2.658 2.644 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 68 ASN H 1 70 GLY H 4.930 . 4.930 3.989 3.973 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 65 ARG HA 1 68 ASN H 4.250 . 4.250 3.411 3.360 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 64 ALA HA 1 68 ASN H 4.740 . 4.740 4.057 3.974 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 68 ASN H 1 68 ASN HB2 3.090 . 3.090 2.308 2.273 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 67 LYS HB2 1 68 ASN H 3.530 . 3.530 2.589 2.483 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 68 ASN H 1 69 ALA MB 4.990 . 5.990 4.123 4.110 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 67 LYS HD2 1 68 ASN H 5.160 . 5.160 4.849 4.636 5.175 0.015 9 0 "[ . 1 . 2 . 3]" 1
650 1 67 LYS HG2 1 68 ASN H 5.500 . 5.500 4.995 4.426 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 66 ALA MB 1 68 ASN H 5.500 . 6.500 4.594 4.572 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 46 TYR H 1 47 LYS H 5.250 . 5.250 4.416 4.378 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 46 TYR H 1 46 TYR HD1 3.620 . 3.620 2.724 2.576 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 46 TYR H 1 47 LYS HA 5.500 . 5.500 4.891 4.851 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 45 LEU HA 1 46 TYR H 3.190 . 3.190 2.330 2.233 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 46 TYR H 1 46 TYR HB2 3.710 . 3.710 2.449 2.386 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 17 PHE HB2 1 46 TYR H 5.420 . 5.420 4.516 4.296 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 46 TYR H 1 46 TYR HB3 4.160 . 4.160 3.651 3.604 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 45 LEU HB2 1 46 TYR H 4.450 . 4.450 3.440 3.116 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 23 ALA MB 1 46 TYR H 4.700 . 5.700 4.388 4.199 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 45 LEU HB3 1 46 TYR H 3.960 . 3.960 2.523 2.248 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 39 VAL MG1 1 46 TYR H 5.500 . 6.500 5.276 5.071 5.450 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 45 LEU MD2 1 46 TYR H 4.280 . 5.280 3.634 3.407 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 41 LEU MD1 1 46 TYR H 5.180 . 6.180 4.364 3.643 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 35 PHE H 1 36 ASP H 5.250 . 5.250 4.536 4.522 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 31 GLU H 1 35 PHE H 5.500 . 5.500 4.499 4.445 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 35 PHE H 1 35 PHE HD2 3.830 . 3.830 3.969 3.956 3.989 0.159 8 0 "[ . 1 . 2 . 3]" 1
668 1 31 GLU HA 1 35 PHE H 4.110 . 4.110 2.639 2.614 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 33 LYS HA 1 35 PHE H 5.500 . 5.500 5.167 5.119 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 30 ALA HA 1 35 PHE H 5.500 . 5.500 4.509 4.416 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 35 PHE H 1 35 PHE HB3 3.760 . 3.760 3.689 3.676 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 33 LYS HB2 1 35 PHE H 4.910 . 4.910 3.514 3.421 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 30 ALA MB 1 35 PHE H 4.900 . 5.900 3.781 3.684 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 35 PHE H 1 50 ILE MD 5.500 . 6.500 5.235 5.192 5.253 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 35 PHE H 1 50 ILE MG 5.500 . 6.500 4.748 4.072 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 65 ARG H 1 65 ARG HD3 5.500 . 5.500 5.514 5.484 5.541 0.041 22 0 "[ . 1 . 2 . 3]" 1
677 1 63 ALA H 1 65 ARG H 5.140 . 5.140 4.023 3.996 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 62 LEU HA 1 65 ARG H 4.440 . 4.440 3.658 3.587 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 61 THR HA 1 65 ARG H 5.500 . 5.500 4.181 4.117 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 63 ALA HA 1 65 ARG H 5.500 . 5.500 4.244 4.206 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 65 ARG H 1 65 ARG HD2 5.500 . 5.500 4.373 4.312 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 65 ARG H 1 68 ASN HB3 5.500 . 5.500 5.535 5.523 5.544 0.044 22 0 "[ . 1 . 2 . 3]" 1
683 1 65 ARG H 1 65 ARG HB3 3.310 . 3.310 2.866 2.841 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 65 ARG H 1 65 ARG HG3 4.160 . 4.160 4.153 4.117 4.175 0.015 9 0 "[ . 1 . 2 . 3]" 1
685 1 65 ARG H 1 65 ARG HG2 4.990 . 4.990 4.572 4.556 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 64 ALA MB 1 65 ARG H 3.610 . 4.610 2.689 2.597 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 62 LEU MD1 1 65 ARG H 4.980 . 5.980 4.229 4.190 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 61 THR MG 1 65 ARG H 5.500 . 6.500 4.812 4.398 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 65 ARG H 1 66 ALA MB 5.000 . 6.000 4.165 4.142 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 11 LYS H 1 12 VAL H 5.500 . 5.500 4.487 4.480 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 12 VAL H 1 13 GLN H 5.220 . 5.220 4.504 4.476 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 12 VAL H 1 53 PHE HD1 5.180 . 5.180 5.103 4.963 5.189 0.009 5 0 "[ . 1 . 2 . 3]" 1
693 1 12 VAL H 1 51 GLY H 4.560 . 4.560 4.768 4.742 4.794 0.234 26 0 "[ . 1 . 2 . 3]" 1
694 1 11 LYS HA 1 12 VAL H 3.290 . 3.290 2.346 2.327 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 12 VAL H 1 49 GLN HG2 5.500 . 5.500 3.174 3.037 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 12 VAL H 1 12 VAL HB 3.760 . 3.760 3.106 3.059 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 11 LYS HB3 1 12 VAL H 4.070 . 4.070 2.738 2.657 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 12 VAL H 1 12 VAL MG2 3.750 . 4.750 1.927 1.881 2.009 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 12 VAL H 1 51 GLY HA3 5.500 . 5.500 3.936 3.818 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 12 VAL H 1 49 GLN HG3 5.410 . 5.410 3.586 3.263 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 11 LYS HG2 1 12 VAL H 5.040 . 5.040 4.560 4.447 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 12 VAL H 1 75 VAL MG1 5.500 . 6.500 4.874 4.770 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 17 PHE H 1 46 TYR H 4.280 . 4.280 2.826 2.527 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 17 PHE H 1 48 VAL H 5.500 . 5.500 5.105 4.913 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 17 PHE H 1 17 PHE QD 3.840 . 3.840 2.856 2.736 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 16 ALA HA 1 17 PHE H 3.250 . 3.250 2.281 2.204 2.343 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 17 PHE H 1 47 LYS HA 4.040 . 4.040 3.518 3.233 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 17 PHE H 1 45 LEU HA 5.500 . 5.500 4.845 4.346 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 17 PHE H 1 17 PHE HB2 4.050 . 4.050 3.073 3.022 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 17 PHE H 1 46 TYR HB3 5.450 . 5.450 4.091 3.944 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 17 PHE H 1 47 LYS HG3 5.360 . 5.360 4.760 3.944 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 17 PHE H 1 23 ALA MB 4.870 . 5.870 3.630 3.231 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 16 ALA MB 1 17 PHE H 3.960 . 4.960 2.917 2.820 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 17 PHE H 1 45 LEU HB3 4.930 . 4.930 3.779 3.408 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 17 PHE H 1 45 LEU MD2 5.110 . 6.110 5.003 4.947 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 10 TYR H 1 11 LYS H 5.440 . 5.440 4.198 4.189 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 10 TYR H 1 53 PHE H 4.530 . 4.530 3.860 3.779 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 10 TYR H 1 53 PHE HD1 5.500 . 5.500 5.521 5.508 5.532 0.032 6 0 "[ . 1 . 2 . 3]" 1
719 1 9 LEU HA 1 10 TYR H 3.400 . 3.400 2.203 2.188 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 10 TYR H 1 10 TYR HB2 3.860 . 3.860 2.620 2.604 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 9 LEU HB2 1 10 TYR H 4.510 . 4.510 4.079 3.884 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 9 LEU HB3 1 10 TYR H 4.120 . 4.120 3.006 2.930 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 10 TYR H 1 75 VAL MG1 5.500 . 6.500 5.440 5.423 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 9 LEU MD2 1 10 TYR H 4.530 . 5.530 3.694 3.009 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 10 TYR H 1 77 LEU MD1 5.470 . 6.470 4.099 3.986 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 10 TYR H 1 52 ALA HA 5.500 . 5.500 5.223 5.107 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 63 ALA H 1 64 ALA H 3.770 . 3.770 2.972 2.934 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 64 ALA H 1 66 ALA H 5.190 . 5.190 4.169 4.122 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 64 ALA H 1 65 ARG H 3.710 . 3.710 2.757 2.718 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 62 LEU H 1 64 ALA H 5.500 . 5.500 4.362 4.257 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 62 LEU HA 1 64 ALA H 5.450 . 5.450 4.955 4.889 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 61 THR HA 1 64 ALA H 4.450 . 4.450 3.995 3.933 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 64 ALA H 1 65 ARG HB3 5.410 . 5.410 5.383 5.358 5.418 0.008 22 0 "[ . 1 . 2 . 3]" 1
734 1 64 ALA H 1 67 LYS HB2 5.200 . 5.200 5.058 4.862 5.204 0.004 16 0 "[ . 1 . 2 . 3]" 1
735 1 64 ALA H 1 64 ALA MB 3.100 . 4.100 2.138 2.035 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 63 ALA MB 1 64 ALA H 3.610 . 4.610 2.257 2.120 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 64 ALA H 1 66 ALA MB 5.210 . 6.210 4.811 4.745 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 12 VAL MG1 1 64 ALA H 5.500 . 6.500 4.272 4.199 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 12 VAL H 1 53 PHE H 5.500 . 5.500 5.219 5.117 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 52 ALA H 1 53 PHE H 5.500 . 5.500 4.193 4.081 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 53 PHE H 1 53 PHE HD1 4.060 . 4.060 2.262 2.161 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 52 ALA HA 1 53 PHE H 3.320 . 3.320 2.159 2.152 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 11 LYS HB3 1 53 PHE H 5.500 . 5.500 4.976 4.850 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 11 LYS HG2 1 53 PHE H 4.890 . 4.890 3.921 3.425 4.899 0.009 21 0 "[ . 1 . 2 . 3]" 1
745 1 52 ALA MB 1 53 PHE H 3.990 . 4.990 3.259 3.163 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 24 ASP H 1 26 LEU H 5.500 . 5.500 3.803 3.650 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 23 ALA H 1 24 ASP H 3.610 . 3.610 2.484 2.448 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 21 ALA HA 1 24 ASP H 4.180 . 4.180 3.402 3.335 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 24 ASP H 1 25 SER HB2 5.500 . 5.500 4.594 4.155 5.106 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 20 LYS HA 1 24 ASP H 5.130 . 5.130 4.222 4.078 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 24 ASP H 1 24 ASP HB2 3.570 . 3.570 2.227 2.118 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 24 ASP H 1 26 LEU HB3 5.500 . 5.500 5.007 4.648 5.202 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 23 ALA MB 1 24 ASP H 3.520 . 4.520 2.982 2.851 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 21 ALA MB 1 24 ASP H 4.570 . 5.570 4.489 4.416 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 24 ASP H 1 39 VAL MG2 4.420 . 5.420 3.945 3.711 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 20 LYS HG2 1 24 ASP H 5.500 . 5.500 4.213 3.838 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 71 PHE H 1 72 ASP H 5.360 . 5.360 4.415 4.409 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 69 ALA H 1 71 PHE H 4.810 . 4.810 3.610 3.597 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 71 PHE H 1 71 PHE HD2 3.990 . 3.990 3.781 3.761 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 67 LYS HA 1 71 PHE H 3.730 . 3.730 2.874 2.848 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 69 ALA HA 1 71 PHE H 5.500 . 5.500 4.967 4.948 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 71 PHE H 1 71 PHE HB2 4.170 . 4.170 2.965 2.953 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 71 PHE H 1 71 PHE HB3 3.750 . 3.750 3.816 3.808 3.828 0.078 2 0 "[ . 1 . 2 . 3]" 1
764 1 67 LYS HB2 1 71 PHE H 5.500 . 5.500 5.524 5.501 5.547 0.047 2 0 "[ . 1 . 2 . 3]" 1
765 1 69 ALA MB 1 71 PHE H 4.720 . 5.720 3.188 3.164 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 66 ALA MB 1 71 PHE H 4.940 . 5.940 3.726 3.676 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 71 PHE H 1 73 ALA MB 5.500 . 6.500 5.156 5.126 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 20 LYS H 1 21 ALA H 4.420 . 4.420 2.578 2.507 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 21 ALA H 1 22 ASN H 4.220 . 4.220 2.655 2.600 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 21 ALA H 1 23 ALA H 5.230 . 5.230 3.945 3.876 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 19 VAL HA 1 21 ALA H 5.230 . 5.230 3.946 3.864 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 21 ALA H 1 24 ASP HB2 5.500 . 5.500 4.867 4.746 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 19 VAL HB 1 21 ALA H 5.500 . 5.500 4.220 4.120 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 21 ALA H 1 23 ALA MB 5.500 . 6.500 4.739 4.606 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 21 ALA H 1 21 ALA MB 3.010 . 4.010 2.139 2.029 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 19 VAL MG1 1 21 ALA H 3.430 . 4.430 2.063 1.964 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 20 LYS HB2 1 21 ALA H 4.500 . 4.500 3.880 3.803 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 17 PHE QD 1 19 VAL H 5.110 . 5.110 4.531 4.508 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 19 VAL H 1 23 ALA H 5.260 . 5.260 5.084 4.836 5.262 0.002 20 0 "[ . 1 . 2 . 3]" 1
780 1 17 PHE HA 1 19 VAL H 5.300 . 5.300 3.854 3.803 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 17 PHE HB3 1 19 VAL H 3.890 . 3.890 2.897 2.822 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 17 PHE HB2 1 19 VAL H 4.390 . 4.390 2.593 2.539 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 19 VAL H 1 22 ASN HB3 5.450 . 5.450 4.939 4.693 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 19 VAL H 1 19 VAL HB 3.600 . 3.600 2.655 2.635 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 19 VAL H 1 22 ASN HB2 4.550 . 4.550 3.591 3.438 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 19 VAL H 1 19 VAL MG2 3.590 . 4.590 2.436 2.323 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 19 VAL H 1 22 ASN H 5.500 . 5.500 4.790 4.698 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 60 ASP H 1 61 THR H 3.730 . 3.730 2.811 2.768 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 61 THR H 1 62 LEU H 3.760 . 3.760 2.699 2.664 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 59 ALA H 1 61 THR H 5.500 . 5.500 4.437 4.400 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 61 THR H 1 61 THR HB 3.450 . 3.450 2.881 2.440 3.451 0.001 18 0 "[ . 1 . 2 . 3]" 1
792 1 59 ALA HA 1 61 THR H 5.500 . 5.500 4.692 4.642 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 60 ASP HB2 1 61 THR H 3.930 . 3.930 2.555 2.406 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 60 ASP HB3 1 61 THR H 4.270 . 4.270 3.196 3.083 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 61 THR H 1 62 LEU HB2 5.500 . 5.500 4.651 4.621 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 61 THR H 1 62 LEU HB3 5.500 . 5.500 5.338 5.318 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 59 ALA MB 1 61 THR H 4.970 . 5.970 4.691 4.649 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 61 THR H 1 61 THR MG 4.150 . 5.150 3.400 2.295 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 61 THR H 1 75 VAL MG2 5.500 . 6.500 4.500 4.441 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 61 THR H 1 64 ALA MB 5.500 . 6.500 4.892 4.788 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 58 ASN H 1 60 ASP H 5.500 . 5.500 4.019 3.963 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 58 ASN H 1 59 ALA H 4.450 . 4.450 2.608 2.568 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 55 SER HB3 1 58 ASN H 5.500 . 5.500 2.977 2.757 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 56 LYS HA 1 58 ASN H 5.500 . 5.500 3.817 3.756 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 57 ASP HB2 1 58 ASN H 5.500 . 5.500 3.755 3.613 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 58 ASN H 1 59 ALA MB 5.500 . 6.500 4.242 4.194 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 57 ASP H 1 60 ASP H 5.500 . 5.500 4.861 4.827 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 56 LYS H 1 57 ASP H 4.370 . 4.370 2.746 2.716 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 57 ASP H 1 58 ASN H 5.070 . 5.070 2.789 2.736 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 57 ASP H 1 59 ALA H 5.500 . 5.500 4.492 4.457 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 55 SER HB2 1 57 ASP H 5.360 . 5.360 4.620 4.233 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 55 SER HB3 1 57 ASP H 5.500 . 5.500 3.169 2.765 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 57 ASP H 1 57 ASP HB2 4.140 . 4.140 2.674 2.143 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 57 ASP H 1 57 ASP HB3 3.780 . 3.780 2.817 2.421 3.066 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 56 LYS HB3 1 57 ASP H 4.010 . 4.010 2.721 2.641 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 56 LYS HB2 1 57 ASP H 4.510 . 4.510 3.831 3.726 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 32 ALA H 1 33 LYS H 3.720 . 3.720 2.848 2.803 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 31 GLU HA 1 33 LYS H 5.500 . 5.500 4.470 4.422 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 30 ALA HA 1 33 LYS H 4.630 . 4.630 3.458 3.403 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 33 LYS H 1 34 GLY HA2 5.500 . 5.500 4.817 4.806 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 33 LYS H 1 33 LYS HB3 4.110 . 4.110 3.565 3.527 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 33 LYS H 1 33 LYS HB2 3.670 . 3.670 2.334 2.241 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 33 LYS H 1 33 LYS HG3 4.160 . 4.160 3.760 3.631 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 30 ALA MB 1 33 LYS H 5.500 . 6.500 4.580 4.525 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 30 ALA H 1 33 LYS H 5.500 . 5.500 5.246 5.173 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 33 LYS H 1 34 GLY HA3 5.500 . 5.500 5.184 5.177 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 33 LYS H 1 33 LYS HE3 5.500 . 5.500 4.148 2.863 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 36 ASP H 1 37 SER H 5.110 . 5.110 4.130 4.074 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 37 SER H 1 38 ILE H 5.080 . 5.080 4.583 4.483 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 37 SER H 1 50 ILE HA 5.500 . 5.500 4.358 4.261 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 36 ASP HA 1 37 SER H 3.100 . 3.100 2.250 2.238 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 37 SER H 1 37 SER HB3 4.150 . 4.150 2.643 2.405 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 36 ASP HB3 1 37 SER H 4.570 . 4.570 4.150 3.975 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 36 ASP HB2 1 37 SER H 5.050 . 5.050 4.581 3.970 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 37 SER H 1 50 ILE HB 5.190 . 5.190 4.930 4.791 5.297 0.107 26 0 "[ . 1 . 2 . 3]" 1
836 1 31 GLU HB2 1 37 SER H 5.340 . 5.340 4.182 4.006 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 37 SER H 1 38 ILE MG 5.440 . 6.440 4.906 4.800 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 37 SER H 1 50 ILE MG 5.160 . 6.160 3.369 2.951 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 28 SER H 1 30 ALA H 5.370 . 5.370 4.202 4.158 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 28 SER H 1 29 ASN HA 5.500 . 5.500 5.160 5.139 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 25 SER HA 1 28 SER H 4.120 . 4.120 3.524 3.487 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 28 SER H 1 28 SER HB2 3.210 . 3.210 2.236 2.097 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 28 SER H 1 29 ASN HB3 5.150 . 5.150 4.615 4.526 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 28 SER H 1 31 GLU HB3 5.500 . 5.500 5.432 5.168 5.515 0.015 24 0 "[ . 1 . 2 . 3]" 1
845 1 27 ALA MB 1 28 SER H 3.560 . 4.560 2.919 2.799 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 28 SER H 1 30 ALA MB 5.450 . 6.450 4.908 4.808 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 25 SER H 1 27 ALA H 5.120 . 5.120 4.220 4.138 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 24 ASP H 1 25 SER H 3.790 . 3.790 2.365 2.331 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 25 SER H 1 28 SER H 5.500 . 5.500 4.714 4.638 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 25 SER H 1 26 LEU H 3.740 . 3.740 2.517 2.407 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 21 ALA HA 1 25 SER H 4.720 . 4.720 4.360 4.226 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 25 SER H 1 25 SER HB2 3.310 . 3.310 2.428 2.099 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 23 ALA HA 1 25 SER H 5.500 . 5.500 4.407 4.319 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 24 ASP HB2 1 25 SER H 3.840 . 3.840 3.391 2.833 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 25 SER H 1 26 LEU HB3 5.500 . 5.500 4.725 4.435 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 25 SER H 1 26 LEU HB2 5.500 . 5.500 4.783 4.715 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 23 ALA MB 1 25 SER H 5.030 . 6.030 4.722 4.637 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 21 ALA MB 1 25 SER H 5.280 . 6.280 4.819 4.766 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 53 PHE HD1 1 55 SER H 5.500 . 5.500 4.957 4.857 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 53 PHE HB3 1 55 SER H 4.820 . 4.820 2.958 2.899 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 53 PHE HB2 1 55 SER H 5.210 . 5.210 2.488 2.444 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 26 LEU HB3 1 28 SER H 5.500 . 5.500 4.592 4.531 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 28 SER H 1 48 VAL MG1 5.500 . 6.500 4.403 4.182 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 22 ASN H 1 24 ASP H 5.030 . 5.030 3.750 3.699 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 22 ASN H 1 25 SER H 5.500 . 5.500 4.780 4.707 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 17 PHE QD 1 22 ASN H 5.490 . 5.490 5.375 5.222 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 22 ASN H 1 23 ALA H 3.570 . 3.570 2.359 2.314 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 22 ASN H 1 23 ALA HA 5.030 . 5.030 5.029 4.979 5.055 0.025 5 0 "[ . 1 . 2 . 3]" 1
869 1 20 LYS HA 1 22 ASN H 5.220 . 5.220 3.939 3.764 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 22 ASN H 1 22 ASN HB3 3.690 . 3.690 3.565 3.515 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 19 VAL HB 1 22 ASN H 4.720 . 4.720 2.834 2.745 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 22 ASN H 1 22 ASN HB2 4.060 . 4.060 2.325 2.222 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 22 ASN H 1 23 ALA MB 4.770 . 5.770 4.070 4.035 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 21 ALA MB 1 22 ASN H 3.740 . 4.740 2.747 2.640 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 19 VAL MG1 1 22 ASN H 3.570 . 4.570 2.157 1.970 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 13 GLN H 1 14 ILE H 5.500 . 5.500 4.358 4.310 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 14 ILE H 1 49 GLN HA 4.430 . 4.430 3.156 3.021 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 13 GLN HA 1 14 ILE H 3.510 . 3.510 2.182 2.161 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 14 ILE H 1 48 VAL HA 5.500 . 5.500 5.349 5.203 5.424 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 14 ILE H 1 15 GLY HA3 5.500 . 5.500 4.791 4.747 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 13 GLN HG2 1 14 ILE H 4.310 . 4.310 2.741 2.235 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 13 GLN HB2 1 14 ILE H 4.240 . 4.240 4.229 4.165 4.274 0.034 12 0 "[ . 1 . 2 . 3]" 1
883 1 13 GLN HB3 1 14 ILE H 5.110 . 5.110 4.018 3.908 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 14 ILE H 1 14 ILE HG12 4.040 . 4.040 2.083 1.994 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 14 ILE H 1 48 VAL MG1 4.840 . 5.840 3.678 3.434 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 14 ILE H 1 14 ILE HG13 3.820 . 3.820 3.635 3.551 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 14 ILE H 1 14 ILE MG 4.160 . 5.160 2.780 2.677 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 14 ILE H 1 14 ILE MD 4.750 . 5.750 2.382 2.063 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 12 VAL H 1 50 ILE H 5.470 . 5.470 3.751 3.634 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 50 ILE H 1 51 GLY HA3 5.500 . 5.500 5.102 5.082 5.121 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 50 ILE H 1 50 ILE MD 4.770 . 5.770 3.479 3.438 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 49 GLN H 1 50 ILE H 5.500 . 5.500 4.497 4.456 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 49 GLN HA 1 50 ILE H 3.500 . 3.500 2.213 2.193 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 37 SER HA 1 50 ILE H 5.500 . 5.500 4.593 4.492 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 12 VAL HA 1 50 ILE H 5.500 . 5.500 4.683 4.585 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 49 GLN HG2 1 50 ILE H 4.930 . 4.930 2.450 2.202 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 12 VAL HB 1 50 ILE H 4.050 . 4.050 3.232 3.060 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 50 ILE H 1 50 ILE HG12 4.040 . 4.040 3.488 3.382 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 50 ILE H 1 50 ILE HG13 3.790 . 3.790 2.001 1.973 2.030 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 50 ILE H 1 50 ILE MG 4.190 . 5.190 3.181 3.138 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 14 ILE H 1 15 GLY H 3.300 . 3.300 2.292 2.248 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 15 GLY H 1 49 GLN HA 5.480 . 5.480 4.623 4.474 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 13 GLN HA 1 15 GLY H 4.410 . 4.410 3.773 3.699 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 15 GLY H 1 48 VAL HA 5.330 . 5.330 5.480 5.446 5.534 0.204 25 0 "[ . 1 . 2 . 3]" 1
905 1 15 GLY H 1 73 ALA HA 5.500 . 5.500 5.150 4.885 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 13 GLN HG3 1 15 GLY H 3.690 . 3.690 3.198 2.606 3.698 0.008 29 0 "[ . 1 . 2 . 3]" 1
907 1 15 GLY H 1 48 VAL HB 3.990 . 3.990 3.472 3.293 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 13 GLN HB3 1 15 GLY H 5.200 . 5.200 4.075 3.839 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 15 GLY H 1 26 LEU MD2 4.400 . 5.400 3.142 3.008 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 15 GLY H 1 48 VAL MG1 5.290 . 6.290 4.385 4.116 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 14 ILE HG13 1 15 GLY H 4.730 . 4.730 4.266 4.182 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 14 ILE MG 1 15 GLY H 5.070 . 6.070 4.305 4.254 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 51 GLY H 1 52 ALA H 5.430 . 5.430 3.528 3.418 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 50 ILE HB 1 51 GLY H 4.570 . 4.570 3.290 2.943 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 49 GLN HG2 1 51 GLY H 4.510 . 4.510 4.346 4.093 4.558 0.048 11 0 "[ . 1 . 2 . 3]" 1
916 1 51 GLY H 1 52 ALA MB 4.660 . 5.660 4.309 4.174 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 50 ILE HG13 1 51 GLY H 4.920 . 4.920 4.760 4.733 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 50 ILE MG 1 51 GLY H 5.290 . 6.290 3.772 3.297 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 34 GLY H 1 35 PHE H 3.680 . 3.680 2.054 2.037 2.071 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 33 LYS H 1 34 GLY H 3.710 . 3.710 2.526 2.515 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 31 GLU HA 1 34 GLY H 5.000 . 5.000 3.169 3.132 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 34 GLY H 1 35 PHE HA 5.500 . 5.500 4.743 4.738 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 32 ALA HA 1 34 GLY H 4.950 . 4.950 4.038 3.991 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 33 LYS HB3 1 34 GLY H 5.370 . 5.370 3.707 3.598 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 34 GLY H 1 35 PHE HB3 5.500 . 5.500 5.586 5.580 5.594 0.094 20 0 "[ . 1 . 2 . 3]" 1
926 1 33 LYS HB2 1 34 GLY H 4.940 . 4.940 2.932 2.889 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 33 LYS HG3 1 34 GLY H 5.500 . 5.500 5.182 5.101 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 33 LYS HG2 1 34 GLY H 5.060 . 5.060 4.589 4.394 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 66 ALA MB 1 70 GLY H 5.500 . 6.500 4.733 4.694 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 67 LYS H 1 70 GLY H 5.500 . 5.500 4.689 4.669 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 70 GLY H 1 71 PHE H 3.580 . 3.580 1.939 1.923 1.967 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 69 ALA H 1 70 GLY H 3.750 . 3.750 2.453 2.439 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 70 GLY H 1 71 PHE HD2 5.500 . 5.500 4.732 4.683 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 67 LYS HA 1 70 GLY H 4.380 . 4.380 3.421 3.381 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 70 GLY H 1 71 PHE HB2 5.220 . 5.220 4.666 4.640 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 70 GLY H 1 71 PHE HB3 5.500 . 5.500 5.620 5.607 5.645 0.145 25 0 "[ . 1 . 2 . 3]" 1
937 1 67 LYS HB2 1 70 GLY H 5.500 . 5.500 5.431 5.370 5.517 0.017 10 0 "[ . 1 . 2 . 3]" 1
938 1 69 ALA MB 1 70 GLY H 4.400 . 5.400 2.902 2.872 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 44 GLY H 1 45 LEU H 4.170 . 4.170 2.252 1.847 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 42 LYS HA 1 44 GLY H 5.450 . 5.450 4.723 4.547 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 44 GLY H 1 45 LEU HB2 5.500 . 5.500 5.006 4.002 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 41 LEU HG 1 44 GLY H 5.500 . 5.500 4.977 4.470 5.586 0.086 18 0 "[ . 1 . 2 . 3]" 1
943 1 44 GLY H 1 45 LEU MD2 5.500 . 6.500 4.572 3.369 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 41 LEU MD1 1 44 GLY H 4.530 . 5.530 2.906 2.528 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 9 LEU H 1 9 LEU HB2 3.670 . 3.670 2.774 2.668 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 11 LYS H 1 11 LYS HG3 4.440 . 4.440 2.704 2.494 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 11 LYS HB2 1 12 VAL H 4.720 . 4.720 3.620 3.526 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 13 GLN H 1 13 GLN HG3 5.440 . 5.440 4.772 4.623 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 17 PHE H 1 46 TYR HB2 4.830 . 4.830 3.269 3.116 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 19 VAL H 1 19 VAL MG1 4.130 . 5.130 3.850 3.842 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 20 LYS HG2 1 21 ALA H 5.500 . 5.500 4.268 3.691 4.778 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 24 ASP H 1 24 ASP HB3 3.770 . 3.770 3.071 2.834 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 29 ASN H 1 29 ASN HB2 3.760 . 3.760 3.543 3.512 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 30 ALA H 1 32 ALA MB 5.500 . 6.500 4.771 4.636 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 31 GLU H 1 31 GLU HG2 4.460 . 4.460 4.446 4.355 4.496 0.036 10 0 "[ . 1 . 2 . 3]" 1
956 1 31 GLU H 1 31 GLU HB2 3.490 . 3.490 2.404 2.300 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 31 GLU HG2 1 32 ALA H 4.890 . 4.890 4.137 3.827 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 33 LYS H 1 33 LYS HG2 3.780 . 3.780 2.582 2.296 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 37 SER H 1 37 SER HB2 4.060 . 4.060 3.515 2.655 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 38 ILE H 1 49 GLN HB3 5.350 . 5.350 4.038 3.778 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 38 ILE H 1 38 ILE HG13 4.590 . 4.590 4.478 4.415 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 40 LEU H 1 40 LEU HB2 4.100 . 4.100 3.426 3.322 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 40 LEU H 1 40 LEU MD2 4.580 . 5.580 4.304 4.015 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 41 LEU H 1 41 LEU HB2 3.580 . 3.580 2.977 2.788 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 40 LEU HA 1 41 LEU H 3.230 . 3.230 2.141 2.128 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 42 LYS H 1 42 LYS HB2 3.880 . 3.880 3.551 2.648 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 42 LYS H 1 42 LYS HD2 4.560 . 4.560 4.401 4.206 4.616 0.056 16 0 "[ . 1 . 2 . 3]" 1
968 1 47 LYS H 1 47 LYS HB2 3.940 . 3.940 2.539 2.307 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 47 LYS H 1 47 LYS HD2 4.350 . 4.350 3.744 2.286 4.371 0.021 29 0 "[ . 1 . 2 . 3]" 1
970 1 47 LYS H 1 47 LYS HE2 5.500 . 5.500 4.200 3.351 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 47 LYS HG3 1 48 VAL H 5.320 . 5.320 3.903 3.307 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 47 LYS HB3 1 48 VAL H 4.760 . 4.760 2.787 2.541 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 37 SER HA 1 49 GLN H 4.660 . 4.660 4.604 4.199 4.678 0.018 19 0 "[ . 1 . 2 . 3]" 1
974 1 13 GLN HA 1 50 ILE H 4.210 . 4.210 2.767 2.617 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 49 GLN H 1 49 GLN HB2 4.160 . 4.160 2.867 2.669 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 50 ILE MD 1 51 GLY H 5.500 . 6.500 4.222 4.150 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 51 GLY H 1 62 LEU MD2 4.960 . 5.960 4.382 3.798 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 14 ILE HG12 1 15 GLY H 4.550 . 4.550 2.753 2.718 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 52 ALA H 1 62 LEU MD2 5.450 . 6.450 4.929 4.705 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 56 LYS H 1 56 LYS HB2 3.770 . 3.770 2.358 2.225 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 65 ARG H 1 65 ARG HB2 3.720 . 3.720 2.205 2.175 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 67 LYS H 1 67 LYS HB3 3.760 . 3.760 3.541 3.435 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 67 LYS H 1 67 LYS HG2 4.810 . 4.810 3.876 2.449 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 67 LYS H 1 67 LYS HG3 4.300 . 4.300 2.898 2.335 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 67 LYS H 1 67 LYS HD3 4.650 . 4.650 4.320 2.680 4.659 0.009 13 0 "[ . 1 . 2 . 3]" 1
986 1 68 ASN H 1 68 ASN HB3 3.670 . 3.670 2.786 2.749 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 74 ILE H 1 74 ILE MD 4.970 . 5.970 3.834 2.417 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 74 ILE MG 1 75 VAL H 4.270 . 5.270 3.725 3.459 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 77 LEU H 1 77 LEU HG 4.110 . 4.110 4.169 4.131 4.214 0.104 8 0 "[ . 1 . 2 . 3]" 1
990 1 78 GLU H 1 78 GLU HG3 4.790 . 4.790 3.093 2.562 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 79 SER H 1 79 SER HB2 3.980 . 3.980 2.764 2.147 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 19 VAL H 1 20 LYS H 5.500 . 5.500 4.421 4.385 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 46 TYR HD1 1 47 LYS H 5.500 . 5.500 5.534 5.481 5.571 0.071 13 0 "[ . 1 . 2 . 3]" 1
994 1 17 PHE QD 1 46 TYR H 5.500 . 5.500 5.149 4.847 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 46 TYR H 1 46 TYR HE1 5.100 . 5.100 5.119 4.960 5.207 0.107 24 0 "[ . 1 . 2 . 3]" 1
996 1 10 TYR HD1 1 76 ILE H 5.500 . 5.500 5.221 5.139 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 10 TYR H 1 10 TYR HD1 5.500 . 5.500 4.438 4.418 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 35 PHE HD2 1 66 ALA H 5.500 . 5.500 5.362 5.198 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 66 ALA H 1 71 PHE HD2 5.500 . 5.500 4.677 4.617 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 66 ALA H 1 73 ALA H 5.500 . 5.500 5.042 4.979 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 56 LYS H 1 58 ASN H 5.500 . 5.500 4.288 4.239 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 35 PHE H 1 35 PHE HE2 5.500 . 5.500 5.365 5.338 5.397 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 71 PHE H 1 73 ALA H 5.500 . 5.500 4.707 4.674 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 69 ALA H 1 71 PHE HD2 5.500 . 5.500 4.648 4.629 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 33 LYS H 1 71 PHE HE2 5.500 . 5.500 3.508 3.413 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 33 LYS H 1 35 PHE HD2 5.500 . 5.500 5.023 5.008 5.039 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 35 PHE HD2 1 71 PHE HD2 3.860 . 3.860 3.994 3.968 4.014 0.154 5 0 "[ . 1 . 2 . 3]" 1
1008 1 53 PHE HD1 1 59 ALA H 5.500 . 5.500 3.297 3.098 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 35 PHE HD2 1 71 PHE HE2 5.500 . 5.500 4.290 4.234 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 35 PHE HE2 1 71 PHE HE2 5.500 . 5.500 3.353 3.250 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 59 ALA H 1 62 LEU H 5.500 . 5.500 4.794 4.750 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 35 PHE HE2 1 71 PHE HD2 5.500 . 5.500 3.098 3.021 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 35 PHE HD2 1 50 ILE HA 5.330 . 5.330 5.546 5.526 5.586 0.256 26 0 "[ . 1 . 2 . 3]" 1
1014 1 11 LYS HA 1 53 PHE HD1 5.500 . 5.500 3.885 3.698 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 16 ALA HA 1 17 PHE QD 5.500 . 5.500 3.381 3.200 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 52 ALA HA 1 53 PHE HD1 5.500 . 5.500 3.190 3.012 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 67 LYS HA 1 71 PHE HD2 5.500 . 5.500 5.588 5.578 5.610 0.110 25 0 "[ . 1 . 2 . 3]" 1
1018 1 53 PHE HA 1 53 PHE HD1 5.030 . 5.030 3.979 3.908 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 17 PHE QD 1 47 LYS HA 5.330 . 5.330 4.858 4.481 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 71 PHE HA 1 71 PHE HD2 4.780 . 4.780 4.731 4.722 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 41 LEU HA 1 46 TYR HE1 5.500 . 5.500 4.817 4.419 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 31 GLU HA 1 35 PHE HD2 5.500 . 5.500 5.531 5.502 5.572 0.072 16 0 "[ . 1 . 2 . 3]" 1
1023 1 46 TYR HA 1 46 TYR HE1 5.470 . 5.470 5.157 5.046 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 10 TYR HD1 1 77 LEU HA 5.500 . 5.500 3.301 3.185 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 45 LEU HA 1 46 TYR HE1 5.500 . 5.500 4.779 4.382 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 69 ALA HA 1 71 PHE HD2 5.500 . 5.500 5.529 5.519 5.543 0.043 25 0 "[ . 1 . 2 . 3]" 1
1027 1 33 LYS HA 1 71 PHE HE2 5.500 . 5.500 4.809 4.622 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 33 LYS HA 1 35 PHE HE2 5.500 . 5.500 5.564 5.549 5.584 0.084 27 0 "[ . 1 . 2 . 3]" 1
1029 1 9 LEU HA 1 10 TYR HD1 5.500 . 5.500 5.541 5.499 5.568 0.068 6 0 "[ . 1 . 2 . 3]" 1
1030 1 35 PHE HD2 1 62 LEU HA 5.500 . 5.500 5.682 5.654 5.700 0.200 2 0 "[ . 1 . 2 . 3]" 1
1031 1 35 PHE HE2 1 62 LEU HA 5.500 . 5.500 5.006 4.940 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 19 VAL HA 1 46 TYR HE1 5.500 . 5.500 4.681 4.452 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 35 PHE HE2 1 65 ARG HA 5.500 . 5.500 5.362 5.300 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 30 ALA HA 1 35 PHE HD2 5.500 . 5.500 2.969 2.870 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 30 ALA HA 1 71 PHE HD2 5.500 . 5.500 3.416 3.295 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 30 ALA HA 1 71 PHE HE2 5.490 . 5.490 2.750 2.669 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 30 ALA HA 1 35 PHE HE2 5.500 . 5.500 3.884 3.765 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 35 PHE HD2 1 66 ALA HA 5.500 . 5.500 4.418 4.334 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 66 ALA HA 1 71 PHE HD2 5.500 . 5.500 2.112 2.056 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 35 PHE HE2 1 66 ALA HA 5.500 . 5.500 2.452 2.340 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 66 ALA HA 1 73 ALA H 4.970 . 4.970 5.118 5.107 5.130 0.160 13 0 "[ . 1 . 2 . 3]" 1
1042 1 51 GLY HA3 1 53 PHE HD1 4.910 . 4.910 4.557 4.292 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 17 PHE QD 1 23 ALA HA 4.710 . 4.710 2.931 2.542 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 35 PHE HE2 1 65 ARG HD2 5.500 . 5.500 5.172 5.088 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 29 ASN HB2 1 71 PHE HD2 5.500 . 5.500 5.558 5.528 5.596 0.096 25 0 "[ . 1 . 2 . 3]" 1
1046 1 26 LEU H 1 29 ASN HB3 5.500 . 5.500 5.527 5.420 5.565 0.065 19 0 "[ . 1 . 2 . 3]" 1
1047 1 33 LYS HE3 1 71 PHE HE2 5.500 . 5.500 4.096 3.164 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 20 LYS HE2 1 23 ALA H 5.500 . 5.500 5.069 4.459 5.562 0.062 14 0 "[ . 1 . 2 . 3]" 1
1049 1 35 PHE HB2 1 51 GLY H 5.500 . 5.500 4.635 4.463 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 10 TYR HB2 1 53 PHE HD1 5.500 . 5.500 4.070 3.989 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 17 PHE QD 1 46 TYR HB2 5.500 . 5.500 4.456 4.230 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 46 TYR HB2 1 46 TYR HE1 5.000 . 5.000 4.774 4.754 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 58 ASN H 1 60 ASP HB2 5.050 . 5.050 4.915 4.806 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 33 LYS HB3 1 35 PHE HD2 5.500 . 5.500 4.452 4.246 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 60 ASP HB3 1 62 LEU H 5.500 . 5.500 5.239 5.149 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 33 LYS HB3 1 35 PHE HE2 5.500 . 5.500 3.350 3.262 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 33 LYS HB3 1 71 PHE HE2 5.500 . 5.500 4.157 4.028 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 10 TYR HB3 1 53 PHE HD1 5.500 . 5.500 4.906 4.786 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 35 PHE HB3 1 35 PHE HE2 5.500 . 5.500 5.059 5.047 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 57 ASP HB3 1 58 ASN H 5.500 . 5.500 3.270 2.803 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 35 PHE HD2 1 50 ILE HB 5.500 . 5.500 3.059 3.028 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 33 LYS HB2 1 35 PHE HD2 5.500 . 5.500 3.389 3.361 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 62 LEU H 1 65 ARG HB3 5.500 . 5.500 5.523 5.506 5.551 0.051 4 0 "[ . 1 . 2 . 3]" 1
1064 1 33 LYS HB2 1 71 PHE HE2 5.500 . 5.500 3.069 2.847 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 33 LYS HB2 1 35 PHE HE2 5.500 . 5.500 2.993 2.925 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 17 PHE QD 1 19 VAL HB 5.500 . 5.500 5.156 5.112 5.202 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 35 PHE HE2 1 65 ARG HG3 5.500 . 5.500 5.524 5.509 5.535 0.035 26 0 "[ . 1 . 2 . 3]" 1
1068 1 53 PHE HD1 1 58 ASN HB2 5.500 . 5.500 2.668 2.466 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 17 PHE QD 1 22 ASN HB2 5.500 . 5.500 3.724 3.463 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 33 LYS HG3 1 35 PHE HD2 5.500 . 5.500 4.419 4.335 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 69 ALA MB 1 71 PHE HD2 5.030 . 6.030 2.486 2.469 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 33 LYS HG3 1 71 PHE HE2 5.130 . 5.130 2.166 1.982 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 33 LYS HG3 1 35 PHE HE2 4.860 . 4.860 2.634 2.569 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 33 LYS HG2 1 71 PHE HE2 5.500 . 5.500 2.162 1.960 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 67 LYS HG2 1 73 ALA H 5.500 . 5.500 3.880 2.664 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 17 PHE QD 1 26 LEU HB2 5.500 . 5.500 4.536 4.304 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 41 LEU HB3 1 46 TYR HE1 5.500 . 5.500 5.546 5.456 5.600 0.100 22 0 "[ . 1 . 2 . 3]" 1
1078 1 10 TYR HE1 1 77 LEU HB2 5.500 . 5.500 2.625 2.454 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 10 TYR HD1 1 77 LEU HB2 5.500 . 5.500 2.688 2.335 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 45 LEU HB2 1 46 TYR HD1 5.500 . 5.500 5.376 5.087 5.518 0.018 15 0 "[ . 1 . 2 . 3]" 1
1081 1 62 LEU H 1 64 ALA MB 5.500 . 6.500 4.959 4.846 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 10 TYR HD1 1 56 LYS HD3 5.500 . 5.500 3.757 2.149 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 53 PHE HD1 1 59 ALA MB 4.600 . 5.600 3.180 2.944 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 56 LYS HB3 1 58 ASN H 5.500 . 5.500 4.923 4.884 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 62 LEU H 1 63 ALA MB 4.900 . 5.900 4.099 4.070 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 35 PHE HD2 1 62 LEU MD2 4.890 . 5.890 4.278 4.129 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 35 PHE HE2 1 62 LEU MD2 5.500 . 6.500 4.714 4.588 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 17 PHE QD 1 48 VAL MG2 5.280 . 6.280 3.189 2.850 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 23 ALA H 1 48 VAL MG2 5.500 . 6.500 4.225 4.129 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 71 PHE HD2 1 73 ALA MB 5.500 . 6.500 4.145 4.077 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 10 TYR HE1 1 77 LEU HB3 5.500 . 5.500 4.123 3.820 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 10 TYR HD1 1 77 LEU HB3 5.500 . 5.500 4.345 4.004 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 41 LEU HG 1 46 TYR HE1 5.500 . 5.500 5.144 4.753 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 10 TYR HE1 1 77 LEU HG 5.080 . 5.080 4.794 4.455 5.095 0.015 14 0 "[ . 1 . 2 . 3]" 1
1095 1 10 TYR HD1 1 75 VAL MG1 4.760 . 5.760 3.221 3.147 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 35 PHE HD2 1 66 ALA MB 5.500 . 6.500 3.477 3.327 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 35 PHE HE2 1 66 ALA MB 5.500 . 6.500 2.809 2.688 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 30 ALA MB 1 71 PHE HD2 5.500 . 6.500 3.817 3.654 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 30 ALA MB 1 71 PHE HE2 5.500 . 6.500 4.185 4.109 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 73 ALA H 1 74 ILE MG 5.500 . 6.500 4.460 4.313 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 30 ALA MB 1 35 PHE HE2 5.500 . 6.500 4.085 3.952 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 45 LEU MD2 1 46 TYR HD1 5.170 . 6.170 4.634 4.387 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 41 LEU MD2 1 46 TYR HE1 5.500 . 6.500 2.979 2.417 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 56 LYS HG2 1 58 ASN H 5.500 . 5.500 5.550 5.522 5.577 0.077 26 0 "[ . 1 . 2 . 3]" 1
1105 1 10 TYR HD1 1 56 LYS HB2 5.500 . 5.500 3.030 2.865 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 12 VAL MG1 1 62 LEU H 5.500 . 6.500 4.399 4.214 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 10 TYR HE1 1 77 LEU MD2 5.500 . 6.500 2.768 2.152 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 20 LYS HB2 1 46 TYR HE1 5.500 . 5.500 3.668 3.348 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 35 PHE HD2 1 50 ILE MG 5.500 . 6.500 3.548 2.963 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 14 ILE MG 1 71 PHE HD2 5.500 . 6.500 3.598 3.482 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 20 LYS HG2 1 23 ALA H 5.500 . 5.500 4.340 4.118 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 35 PHE HD2 1 50 ILE MD 5.390 . 6.390 1.956 1.840 1.982 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 35 PHE HE2 1 50 ILE MD 5.500 . 6.500 3.270 3.167 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 14 ILE MD 1 71 PHE HD2 5.500 . 6.500 4.423 4.213 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 14 ILE MD 1 15 GLY H 5.500 . 6.500 4.054 3.878 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 10 TYR HE1 1 77 LEU MD1 5.500 . 6.500 2.604 2.176 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 41 LEU MD1 1 46 TYR HE1 5.500 . 6.500 2.432 2.172 2.791 . 0 0 "[ . 1 . 2 . 3]" 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 72
_Distance_constraint_stats_list.Viol_count 777
_Distance_constraint_stats_list.Viol_total 1144.819
_Distance_constraint_stats_list.Viol_max 0.226
_Distance_constraint_stats_list.Viol_rms 0.0333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0177
_Distance_constraint_stats_list.Viol_average_violations_only 0.0491
_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 9 LEU 0.012 0.006 22 0 "[ . 1 . 2 . 3]"
1 10 TYR 1.504 0.073 17 0 "[ . 1 . 2 . 3]"
1 11 LYS 3.720 0.085 2 0 "[ . 1 . 2 . 3]"
1 12 VAL 4.920 0.147 22 0 "[ . 1 . 2 . 3]"
1 13 GLN 2.084 0.063 8 0 "[ . 1 . 2 . 3]"
1 14 ILE 0.167 0.033 3 0 "[ . 1 . 2 . 3]"
1 15 GLY 0.273 0.029 5 0 "[ . 1 . 2 . 3]"
1 17 PHE 8.414 0.226 16 0 "[ . 1 . 2 . 3]"
1 20 LYS 2.290 0.099 25 0 "[ . 1 . 2 . 3]"
1 21 ALA 1.221 0.056 20 0 "[ . 1 . 2 . 3]"
1 22 ASN 0.553 0.042 3 0 "[ . 1 . 2 . 3]"
1 23 ALA 0.466 0.029 7 0 "[ . 1 . 2 . 3]"
1 24 ASP 2.478 0.099 25 0 "[ . 1 . 2 . 3]"
1 25 SER 1.939 0.056 20 0 "[ . 1 . 2 . 3]"
1 26 LEU 2.077 0.072 25 0 "[ . 1 . 2 . 3]"
1 27 ALA 1.020 0.047 15 0 "[ . 1 . 2 . 3]"
1 28 SER 1.417 0.061 25 0 "[ . 1 . 2 . 3]"
1 29 ASN 0.718 0.046 24 0 "[ . 1 . 2 . 3]"
1 30 ALA 1.525 0.072 25 0 "[ . 1 . 2 . 3]"
1 31 GLU 0.554 0.047 15 0 "[ . 1 . 2 . 3]"
1 32 ALA 1.229 0.061 25 0 "[ . 1 . 2 . 3]"
1 38 ILE 0.081 0.039 26 0 "[ . 1 . 2 . 3]"
1 40 LEU 0.673 0.054 26 0 "[ . 1 . 2 . 3]"
1 42 LYS 3.084 0.164 23 0 "[ . 1 . 2 . 3]"
1 45 LEU 3.084 0.164 23 0 "[ . 1 . 2 . 3]"
1 46 TYR 8.414 0.226 16 0 "[ . 1 . 2 . 3]"
1 47 LYS 0.673 0.054 26 0 "[ . 1 . 2 . 3]"
1 48 VAL 0.440 0.033 3 0 "[ . 1 . 2 . 3]"
1 49 GLN 0.081 0.039 26 0 "[ . 1 . 2 . 3]"
1 50 ILE 4.920 0.147 22 0 "[ . 1 . 2 . 3]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 PHE 1.504 0.073 17 0 "[ . 1 . 2 . 3]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 ASP 0.039 0.009 21 0 "[ . 1 . 2 . 3]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ALA 2.966 0.073 11 0 "[ . 1 . 2 . 3]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 THR 1.444 0.063 13 0 "[ . 1 . 2 . 3]"
1 62 LEU 0.076 0.024 26 0 "[ . 1 . 2 . 3]"
1 63 ALA 2.966 0.073 11 0 "[ . 1 . 2 . 3]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 ARG 1.405 0.063 13 0 "[ . 1 . 2 . 3]"
1 66 ALA 0.076 0.024 26 0 "[ . 1 . 2 . 3]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 ILE 2.084 0.063 8 0 "[ . 1 . 2 . 3]"
1 76 ILE 3.720 0.085 2 0 "[ . 1 . 2 . 3]"
1 78 GLU 0.012 0.006 22 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 LYS O 1 24 ASP H 2.300 . 2.300 1.993 1.887 2.054 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 20 LYS O 1 24 ASP N 3.300 2.800 3.300 2.724 2.701 2.742 0.099 25 0 "[ . 1 . 2 . 3]" 2
3 1 21 ALA O 1 25 SER H 2.300 . 2.300 2.341 2.331 2.356 0.056 20 0 "[ . 1 . 2 . 3]" 2
4 1 21 ALA O 1 25 SER N 3.300 2.800 3.300 3.218 3.187 3.255 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 22 ASN O 1 26 LEU H 2.300 . 2.300 2.318 2.297 2.342 0.042 3 0 "[ . 1 . 2 . 3]" 2
6 1 22 ASN O 1 26 LEU N 3.300 2.800 3.300 3.220 3.159 3.246 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 23 ALA O 1 27 ALA H 2.300 . 2.300 2.307 2.159 2.329 0.029 7 0 "[ . 1 . 2 . 3]" 2
8 1 23 ALA O 1 27 ALA N 3.300 2.800 3.300 3.238 3.120 3.274 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 24 ASP O 1 28 SER H 2.300 . 2.300 2.301 2.264 2.323 0.023 22 0 "[ . 1 . 2 . 3]" 2
10 1 24 ASP O 1 28 SER N 3.300 2.800 3.300 3.035 2.972 3.087 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 25 SER O 1 29 ASN H 2.300 . 2.300 2.320 2.257 2.346 0.046 24 0 "[ . 1 . 2 . 3]" 2
12 1 25 SER O 1 29 ASN N 3.300 2.800 3.300 3.178 3.126 3.206 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 26 LEU O 1 30 ALA H 2.300 . 2.300 2.336 2.246 2.372 0.072 25 0 "[ . 1 . 2 . 3]" 2
14 1 26 LEU O 1 30 ALA N 3.300 2.800 3.300 3.296 3.213 3.330 0.030 5 0 "[ . 1 . 2 . 3]" 2
15 1 27 ALA O 1 31 GLU H 2.300 . 2.300 2.303 2.089 2.347 0.047 15 0 "[ . 1 . 2 . 3]" 2
16 1 27 ALA O 1 31 GLU N 3.300 2.800 3.300 3.187 3.017 3.213 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 28 SER O 1 32 ALA H 2.300 . 2.300 2.341 2.329 2.361 0.061 25 0 "[ . 1 . 2 . 3]" 2
18 1 28 SER O 1 32 ALA N 3.300 2.800 3.300 3.181 3.163 3.208 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 56 LYS O 1 60 ASP H 2.300 . 2.300 1.908 1.826 1.977 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 56 LYS O 1 60 ASP N 3.300 2.800 3.300 2.875 2.801 2.936 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 57 ASP O 1 61 THR H 2.300 . 2.300 2.280 2.247 2.309 0.009 21 0 "[ . 1 . 2 . 3]" 2
22 1 57 ASP O 1 61 THR N 3.300 2.800 3.300 3.233 3.197 3.268 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 58 ASN O 1 62 LEU H 2.300 . 2.300 2.124 2.046 2.227 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 58 ASN O 1 62 LEU N 3.300 2.800 3.300 3.008 2.917 3.118 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 59 ALA O 1 63 ALA H 2.300 . 2.300 1.768 1.759 1.781 0.041 20 0 "[ . 1 . 2 . 3]" 2
26 1 59 ALA O 1 63 ALA N 3.300 2.800 3.300 2.733 2.727 2.741 0.073 11 0 "[ . 1 . 2 . 3]" 2
27 1 60 ASP O 1 64 ALA H 2.300 . 2.300 1.969 1.915 2.057 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 60 ASP O 1 64 ALA N 3.300 2.800 3.300 2.931 2.876 3.014 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 61 THR O 1 65 ARG H 2.300 . 2.300 2.347 2.331 2.363 0.063 13 0 "[ . 1 . 2 . 3]" 2
30 1 61 THR O 1 65 ARG N 3.300 2.800 3.300 3.168 3.149 3.181 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 62 LEU O 1 66 ALA H 2.300 . 2.300 1.956 1.914 2.001 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 62 LEU O 1 66 ALA N 3.300 2.800 3.300 2.810 2.776 2.856 0.024 26 0 "[ . 1 . 2 . 3]" 2
33 1 63 ALA O 1 67 LYS H 2.300 . 2.300 1.979 1.921 2.058 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 63 ALA O 1 67 LYS N 3.300 2.800 3.300 2.900 2.848 2.981 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 64 ALA O 1 68 ASN H 2.300 . 2.300 1.931 1.872 1.982 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 64 ALA O 1 68 ASN N 3.300 2.800 3.300 2.880 2.830 2.922 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 40 LEU O 1 47 LYS H 2.200 . 2.200 1.965 1.787 2.154 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 40 LEU O 1 47 LYS N 3.200 2.700 3.200 2.910 2.736 3.128 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 38 ILE O 1 49 GLN H 2.200 . 2.200 1.984 1.909 2.071 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 38 ILE O 1 49 GLN N 3.200 2.700 3.200 2.917 2.844 3.006 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 38 ILE H 1 49 GLN O 2.200 . 2.200 2.112 1.798 2.239 0.039 26 0 "[ . 1 . 2 . 3]" 2
42 1 38 ILE N 1 49 GLN O 3.200 2.700 3.200 2.763 2.697 2.859 0.003 14 0 "[ . 1 . 2 . 3]" 2
43 1 40 LEU H 1 47 LYS O 2.200 . 2.200 2.218 2.123 2.254 0.054 26 0 "[ . 1 . 2 . 3]" 2
44 1 40 LEU N 1 47 LYS O 3.200 2.700 3.200 3.081 3.007 3.126 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 42 LYS H 1 45 LEU O 2.200 . 2.200 1.705 1.667 1.814 0.033 21 0 "[ . 1 . 2 . 3]" 2
46 1 42 LYS N 1 45 LEU O 3.200 2.700 3.200 2.607 2.536 2.648 0.164 23 0 "[ . 1 . 2 . 3]" 2
47 1 9 LEU O 1 78 GLU H 2.200 . 2.200 1.961 1.749 2.200 0.000 19 0 "[ . 1 . 2 . 3]" 2
48 1 9 LEU O 1 78 GLU N 3.200 2.700 3.200 2.877 2.694 3.096 0.006 22 0 "[ . 1 . 2 . 3]" 2
49 1 11 LYS O 1 76 ILE H 2.200 . 2.200 2.034 1.997 2.069 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 11 LYS O 1 76 ILE N 3.200 2.700 3.200 2.983 2.945 3.019 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 13 GLN O 1 74 ILE H 2.200 . 2.200 1.830 1.803 1.870 . 0 0 "[ . 1 . 2 . 3]" 2
52 1 13 GLN O 1 74 ILE N 3.200 2.700 3.200 2.677 2.665 2.704 0.035 18 0 "[ . 1 . 2 . 3]" 2
53 1 11 LYS H 1 76 ILE O 2.200 . 2.200 2.272 2.263 2.285 0.085 2 0 "[ . 1 . 2 . 3]" 2
54 1 11 LYS N 1 76 ILE O 3.200 2.700 3.200 3.252 3.246 3.262 0.062 5 0 "[ . 1 . 2 . 3]" 2
55 1 13 GLN H 1 74 ILE O 2.200 . 2.200 1.722 1.697 1.751 0.003 19 0 "[ . 1 . 2 . 3]" 2
56 1 13 GLN N 1 74 ILE O 3.200 2.700 3.200 2.654 2.637 2.685 0.063 8 0 "[ . 1 . 2 . 3]" 2
57 1 12 VAL H 1 51 GLY O 2.200 . 2.200 1.976 1.834 2.142 . 0 0 "[ . 1 . 2 . 3]" 2
58 1 12 VAL N 1 51 GLY O 3.200 2.700 3.200 2.855 2.735 2.984 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 14 ILE H 1 48 VAL O 2.200 . 2.200 2.171 1.993 2.233 0.033 3 0 "[ . 1 . 2 . 3]" 2
60 1 14 ILE N 1 48 VAL O 3.200 2.700 3.200 3.095 2.925 3.157 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 12 VAL O 1 50 ILE H 2.200 . 2.200 1.670 1.644 1.700 0.056 6 0 "[ . 1 . 2 . 3]" 2
62 1 12 VAL O 1 50 ILE N 3.200 2.700 3.200 2.566 2.553 2.577 0.147 22 0 "[ . 1 . 2 . 3]" 2
63 1 15 GLY O 1 48 VAL H 2.200 . 2.200 1.784 1.745 1.839 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 15 GLY O 1 48 VAL N 3.200 2.700 3.200 2.710 2.671 2.795 0.029 5 0 "[ . 1 . 2 . 3]" 2
65 1 10 TYR H 1 53 PHE O 2.200 . 2.200 2.250 2.233 2.273 0.073 17 0 "[ . 1 . 2 . 3]" 2
66 1 10 TYR N 1 53 PHE O 3.200 2.700 3.200 3.104 3.078 3.121 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 10 TYR O 1 53 PHE H 2.200 . 2.200 1.921 1.837 1.959 . 0 0 "[ . 1 . 2 . 3]" 2
68 1 10 TYR O 1 53 PHE N 3.200 2.700 3.200 2.888 2.814 2.928 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 17 PHE O 1 46 TYR H 2.200 . 2.200 1.729 1.660 1.766 0.040 26 0 "[ . 1 . 2 . 3]" 2
70 1 17 PHE O 1 46 TYR N 3.200 2.700 3.200 2.623 2.596 2.646 0.104 22 0 "[ . 1 . 2 . 3]" 2
71 1 17 PHE H 1 46 TYR O 2.200 . 2.200 1.665 1.585 1.732 0.115 25 0 "[ . 1 . 2 . 3]" 2
72 1 17 PHE N 1 46 TYR O 3.200 2.700 3.200 2.541 2.474 2.606 0.226 16 0 "[ . 1 . 2 . 3]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 9:03:35 AM GMT (wattos1)