NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372357 |
1d8b   |
4445 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d8b
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 1706
_Distance_constraint_stats_list.Viol_count 1374
_Distance_constraint_stats_list.Viol_total 2680.834
_Distance_constraint_stats_list.Viol_max 0.998
_Distance_constraint_stats_list.Viol_rms 0.0498
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.1301
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 5.098 0.732 10 2 "[ . + - .]"
1 2 LEU 3.157 0.732 10 2 "[ . + - .]"
1 3 ASN 0.229 0.137 1 0 "[ . 1 .]"
1 4 ASN 0.271 0.137 1 0 "[ . 1 .]"
1 5 LEU 1.872 0.146 6 0 "[ . 1 .]"
1 6 ARG 1.164 0.491 15 0 "[ . 1 .]"
1 7 MET 3.087 0.998 1 3 "[+ *- 1 .]"
1 8 THR 2.388 0.191 11 0 "[ . 1 .]"
1 9 TYR 1.095 0.139 12 0 "[ . 1 .]"
1 10 GLU 7.641 0.998 1 4 "[+ -* 1 *]"
1 11 ARG 7.026 0.992 15 4 "[ *. 1* -+]"
1 12 LEU 11.724 0.439 15 0 "[ . 1 .]"
1 13 ARG 7.840 0.946 1 5 "[+ * . * * *]"
1 14 GLU 2.545 0.406 12 0 "[ . 1 .]"
1 15 LEU 3.671 0.269 14 0 "[ . 1 .]"
1 16 SER 12.719 0.946 1 4 "[+ . * * *]"
1 17 LEU 3.429 0.914 8 4 "[* . + - *]"
1 18 ASN 2.297 0.699 3 1 "[ + . 1 .]"
1 19 LEU 7.089 0.822 4 3 "[ *+. 1 - .]"
1 20 GLY 3.147 0.485 1 0 "[ . 1 .]"
1 21 ASN 1.228 0.110 6 0 "[ . 1 .]"
1 22 ARG 2.519 0.822 4 2 "[ +. 1 - .]"
1 23 MET 1.482 0.485 1 0 "[ . 1 .]"
1 24 VAL 0.264 0.245 12 0 "[ . 1 .]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 26 PRO 0.724 0.096 8 0 "[ . 1 .]"
1 27 VAL 0.909 0.077 15 0 "[ . 1 .]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 30 PHE 4.932 0.269 14 0 "[ . 1 .]"
1 31 MET 4.946 0.223 11 0 "[ . 1 .]"
1 32 PRO 0.049 0.049 9 0 "[ . 1 .]"
1 33 ASP 0.733 0.198 9 0 "[ . 1 .]"
1 34 SER 0.000 0.000 . 0 "[ . 1 .]"
1 35 ILE 4.029 0.439 15 0 "[ . 1 .]"
1 36 LEU 2.411 0.182 10 0 "[ . 1 .]"
1 37 LYS 3.301 0.439 15 0 "[ . 1 .]"
1 38 LYS 1.998 0.422 15 0 "[ . 1 .]"
1 39 MET 4.240 0.228 15 0 "[ . 1 .]"
1 40 ALA 1.258 0.113 6 0 "[ . 1 .]"
1 41 ALA 0.328 0.063 13 0 "[ . 1 .]"
1 42 ILE 3.319 0.176 2 0 "[ . 1 .]"
1 43 LEU 8.861 0.736 12 2 "[ . 1 + -]"
1 44 PRO 0.487 0.220 6 0 "[ . 1 .]"
1 45 MET 1.020 0.406 9 0 "[ . 1 .]"
1 46 ASN 0.671 0.107 7 0 "[ . 1 .]"
1 47 ASP 0.104 0.036 13 0 "[ . 1 .]"
1 48 SER 0.391 0.094 7 0 "[ . 1 .]"
1 49 ALA 1.864 0.439 15 0 "[ . 1 .]"
1 50 PHE 7.322 0.902 3 2 "[ + . 1 - .]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 52 THR 3.323 0.360 5 0 "[ . 1 .]"
1 53 LEU 4.884 0.422 15 0 "[ . 1 .]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 55 THR 2.656 0.268 9 0 "[ . 1 .]"
1 56 VAL 6.360 0.467 10 0 "[ . 1 .]"
1 57 GLU 7.759 0.762 8 3 "[ . *+ 1 -.]"
1 58 ASP 0.119 0.026 7 0 "[ . 1 .]"
1 59 LYS 6.713 0.943 3 5 "[ + . ** 1 *-.]"
1 60 TYR 5.149 0.548 8 1 "[ . + 1 .]"
1 61 ARG 13.463 0.902 3 5 "[**+ . 1 - *]"
1 62 ARG 9.989 0.746 10 6 "[ -* . +*** .]"
1 63 ARG 5.616 0.913 11 4 "[ * -* 1+ .]"
1 64 PHE 6.935 0.755 3 2 "[ -+ . 1 .]"
1 65 LYS 9.169 0.913 11 6 "[** *.- 1+ * .]"
1 66 TYR 5.773 0.555 6 2 "[ -+ 1 .]"
1 67 PHE 9.700 0.620 10 4 "[- . * + *]"
1 68 LYS 2.631 0.875 6 1 "[ .+ 1 .]"
1 69 ALA 0.075 0.026 15 0 "[ . 1 .]"
1 70 THR 0.602 0.103 9 0 "[ . 1 .]"
1 71 ILE 1.866 0.153 5 0 "[ . 1 .]"
1 72 ALA 0.200 0.086 15 0 "[ . 1 .]"
1 73 ASP 2.152 0.843 14 1 "[ . 1 +.]"
1 74 LEU 1.174 0.097 13 0 "[ . 1 .]"
1 75 SER 12.813 0.736 12 5 "[ * . *1*+ -]"
1 76 LYS 9.298 0.935 9 6 "[* .- +1 * **]"
1 77 LYS 2.701 0.471 6 0 "[ . 1 .]"
1 78 ARG 7.897 0.905 5 3 "[ *+ 1- .]"
1 79 SER 0.267 0.152 5 0 "[ . 1 .]"
1 80 SER 0.109 0.069 14 0 "[ . 1 .]"
1 81 GLU 0.807 0.505 2 1 "[ + . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 GLY H 1 21 ASN HB2 1.800 . 6.000 4.078 3.753 4.338 . 0 0 "[ . 1 .]" 1
2 1 37 LYS HD2 1 41 ALA H 3.500 . 6.000 5.616 5.378 5.798 . 0 0 "[ . 1 .]" 1
3 1 46 ASN H 1 46 ASN HD21 2.700 . 6.000 4.724 3.336 5.179 . 0 0 "[ . 1 .]" 1
4 1 8 THR MG 1 71 ILE H 1.600 . 6.000 5.897 5.636 6.061 0.061 7 0 "[ . 1 .]" 1
5 1 73 ASP H 1 74 LEU HB2 2.100 . 6.000 3.967 3.791 4.144 . 0 0 "[ . 1 .]" 1
6 1 43 LEU QD 1 74 LEU H 3.700 . 5.400 3.579 3.458 3.725 . 0 0 "[ . 1 .]" 1
7 1 43 LEU HB3 1 74 LEU H 2.000 . 6.000 4.108 3.836 4.389 . 0 0 "[ . 1 .]" 1
8 1 43 LEU QD 1 75 SER H 2.000 . 6.000 2.792 2.573 2.967 . 0 0 "[ . 1 .]" 1
9 1 2 LEU HB3 1 2 LEU MD1 2.100 . 2.700 2.100 1.898 2.307 . 0 0 "[ . 1 .]" 1
10 1 35 ILE MG 1 38 LYS HG3 2.200 . 2.800 2.359 2.229 2.516 . 0 0 "[ . 1 .]" 1
11 1 35 ILE HA 1 42 ILE MD 3.300 . 6.000 5.573 5.475 5.748 . 0 0 "[ . 1 .]" 1
12 1 38 LYS HD2 1 42 ILE MD 2.800 . 6.000 4.275 3.909 4.631 . 0 0 "[ . 1 .]" 1
13 1 25 PRO HB2 1 27 VAL MG1 2.700 . 6.000 5.577 5.326 5.886 . 0 0 "[ . 1 .]" 1
14 1 54 GLY HA2 1 56 VAL MG1 2.700 . 6.000 4.153 3.901 4.374 . 0 0 "[ . 1 .]" 1
15 1 7 MET HA 1 8 THR MG 3.500 . 6.000 5.624 5.577 5.682 . 0 0 "[ . 1 .]" 1
16 1 5 LEU HA 1 8 THR MG 2.600 . 3.500 3.324 3.082 3.520 0.020 9 0 "[ . 1 .]" 1
17 1 8 THR MG 1 12 LEU HB2 2.900 . 3.900 2.789 2.443 3.107 . 0 0 "[ . 1 .]" 1
18 1 8 THR MG 1 12 LEU HG 2.800 . 3.800 3.336 2.904 3.501 . 0 0 "[ . 1 .]" 1
19 1 8 THR MG 1 43 LEU QD 1.900 . 2.300 1.664 1.488 1.844 0.012 9 0 "[ . 1 .]" 1
20 1 8 THR MG 1 12 LEU MD1 2.100 . 2.700 2.121 1.843 2.402 . 0 0 "[ . 1 .]" 1
21 1 42 ILE HG12 1 53 LEU MD2 2.600 . 3.400 2.843 2.529 3.156 . 0 0 "[ . 1 .]" 1
22 1 35 ILE MG 1 53 LEU MD2 2.600 . 3.500 3.517 3.358 3.606 0.106 3 0 "[ . 1 .]" 1
23 1 13 ARG HA 1 17 LEU MD1 2.400 . 6.000 3.487 3.115 4.053 . 0 0 "[ . 1 .]" 1
24 1 74 LEU HG 1 77 LYS HG2 2.200 . 6.000 3.875 3.174 4.890 . 0 0 "[ . 1 .]" 1
25 1 37 LYS HB3 1 53 LEU MD1 3.000 . 6.000 5.428 4.868 5.910 . 0 0 "[ . 1 .]" 1
26 1 5 LEU HG 1 43 LEU QD 2.300 . 6.000 4.000 3.475 4.580 . 0 0 "[ . 1 .]" 1
27 1 8 THR MG 1 12 LEU MD1 2.000 . 2.500 2.023 1.808 2.206 . 0 0 "[ . 1 .]" 1
28 1 12 LEU MD1 1 35 ILE HG12 2.200 . 6.000 6.100 5.883 6.439 0.439 15 0 "[ . 1 .]" 1
29 1 15 LEU MD1 1 16 SER HA 2.300 . 6.000 3.165 2.665 3.295 . 0 0 "[ . 1 .]" 1
30 1 12 LEU HG 1 15 LEU MD1 2.300 . 6.000 4.598 4.339 4.862 . 0 0 "[ . 1 .]" 1
31 1 12 LEU HA 1 19 LEU MD1 3.400 . 4.900 5.028 4.973 5.069 0.169 3 0 "[ . 1 .]" 1
32 1 15 LEU HA 1 19 LEU MD1 3.400 . 4.800 3.386 3.143 3.518 . 0 0 "[ . 1 .]" 1
33 1 11 ARG HB3 1 12 LEU MD2 2.900 . 4.000 2.747 1.989 3.452 . 0 0 "[ . 1 .]" 1
34 1 12 LEU MD1 1 71 ILE HG13 2.400 . 6.000 4.322 3.901 4.528 . 0 0 "[ . 1 .]" 1
35 1 30 PHE QD 1 31 MET HG2 3.000 . 6.000 4.816 4.671 5.154 . 0 0 "[ . 1 .]" 1
36 1 12 LEU MD2 1 31 MET HB3 2.900 . 3.900 2.808 2.519 3.038 . 0 0 "[ . 1 .]" 1
37 1 12 LEU HA 1 18 ASN HB3 2.900 . 6.000 5.774 5.366 6.037 0.037 2 0 "[ . 1 .]" 1
38 1 17 LEU HA 1 18 ASN HB2 2.600 . 6.000 4.649 4.081 4.912 . 0 0 "[ . 1 .]" 1
39 1 5 LEU HG 1 43 LEU HB2 2.800 . 6.000 5.200 5.107 5.248 . 0 0 "[ . 1 .]" 1
40 1 5 LEU HG 1 43 LEU HB3 3.000 . 6.000 6.108 6.047 6.146 0.146 6 0 "[ . 1 .]" 1
41 1 43 LEU QD 1 74 LEU HB2 2.500 . 3.300 1.864 1.678 2.026 0.022 1 0 "[ . 1 .]" 1
42 1 12 LEU HB3 1 15 LEU HB3 2.300 . 6.000 4.214 4.089 4.337 . 0 0 "[ . 1 .]" 1
43 1 12 LEU HB2 1 12 LEU MD2 2.600 . 3.400 2.979 2.949 3.006 . 0 0 "[ . 1 .]" 1
44 1 24 VAL HB 1 25 PRO HD2 2.400 . 6.000 5.210 5.023 5.515 . 0 0 "[ . 1 .]" 1
45 1 25 PRO HD2 1 25 PRO HG2 2.500 . 3.300 2.277 2.240 2.320 . 0 0 "[ . 1 .]" 1
46 1 31 MET HA 1 32 PRO HG3 3.400 . 4.900 3.867 2.395 4.143 . 0 0 "[ . 1 .]" 1
47 1 30 PHE HB3 1 31 MET HA 3.500 . 5.100 4.209 3.462 4.703 . 0 0 "[ . 1 .]" 1
48 1 8 THR HA 1 12 LEU HG 3.300 . 4.700 4.724 4.489 4.891 0.191 11 0 "[ . 1 .]" 1
49 1 13 ARG HB2 1 16 SER HB3 3.100 . 4.300 3.752 3.569 3.865 . 0 0 "[ . 1 .]" 1
50 1 38 LYS HG3 1 50 PHE QD 3.200 . 4.500 4.259 3.911 4.549 0.049 7 0 "[ . 1 .]" 1
51 1 19 LEU MD2 1 66 TYR QD 2.900 . 3.900 2.877 2.540 3.287 . 0 0 "[ . 1 .]" 1
52 1 19 LEU MD1 1 66 TYR QD 3.000 . 4.100 3.285 3.103 3.500 . 0 0 "[ . 1 .]" 1
53 1 32 PRO HB2 1 35 ILE HA 3.200 . 6.000 4.391 4.220 4.548 . 0 0 "[ . 1 .]" 1
54 1 35 ILE HA 1 37 LYS HB3 3.500 . 6.000 5.988 5.841 6.063 0.063 13 0 "[ . 1 .]" 1
55 1 29 ASN HB3 1 32 PRO HA 2.900 . 6.000 4.133 3.247 4.486 . 0 0 "[ . 1 .]" 1
56 1 42 ILE MG 1 49 ALA HA 3.600 . 5.200 4.607 3.993 5.195 . 0 0 "[ . 1 .]" 1
57 1 19 LEU MD2 1 66 TYR QE 3.100 . 4.300 3.505 3.114 3.832 . 0 0 "[ . 1 .]" 1
58 1 12 LEU MD2 1 50 PHE QE 3.000 . 6.000 4.138 3.889 4.352 . 0 0 "[ . 1 .]" 1
59 1 30 PHE QD 1 66 TYR QD 2.500 . 6.000 4.157 4.007 4.307 . 0 0 "[ . 1 .]" 1
60 1 39 MET ME 1 50 PHE HZ 3.100 . 4.300 4.271 3.908 4.384 0.084 8 0 "[ . 1 .]" 1
61 1 12 LEU HB2 1 67 PHE HZ 3.100 . 4.300 4.092 3.953 4.194 . 0 0 "[ . 1 .]" 1
62 1 9 TYR QD 1 10 GLU HG3 3.100 . 6.000 4.086 2.932 5.255 . 0 0 "[ . 1 .]" 1
63 1 35 ILE MG 1 64 PHE HZ 3.100 . 4.300 2.479 2.301 2.664 . 0 0 "[ . 1 .]" 1
64 1 15 LEU HB2 1 67 PHE QE 2.700 . 3.600 2.418 2.287 2.549 . 0 0 "[ . 1 .]" 1
65 1 32 PRO QG 1 35 ILE MD 2.700 . 3.600 3.250 3.049 3.369 . 0 0 "[ . 1 .]" 1
66 1 32 PRO HG3 1 35 ILE HB 3.000 . 4.100 3.786 3.617 3.930 . 0 0 "[ . 1 .]" 1
67 1 12 LEU HA 1 15 LEU MD2 2.100 . 6.000 4.962 4.865 5.051 . 0 0 "[ . 1 .]" 1
68 1 12 LEU HB2 1 36 LEU MD2 2.500 . 3.300 2.771 2.546 2.925 . 0 0 "[ . 1 .]" 1
69 1 11 ARG HA 1 15 LEU HG 3.200 . 4.500 4.532 4.472 4.607 0.107 11 0 "[ . 1 .]" 1
70 1 36 LEU HA 1 71 ILE MD 3.500 . 5.000 4.464 4.265 4.661 . 0 0 "[ . 1 .]" 1
71 1 43 LEU HB2 1 75 SER HB2 3.000 . 4.200 4.269 3.671 4.910 0.710 15 2 "[ . 1 - +]" 1
72 1 55 THR HA 1 56 VAL HA 2.600 . 6.000 3.928 3.874 3.963 . 0 0 "[ . 1 .]" 1
73 1 6 ARG HA 1 10 GLU HG2 3.400 . 6.000 4.392 3.559 5.461 . 0 0 "[ . 1 .]" 1
74 1 12 LEU HB3 1 19 LEU MD1 3.100 . 6.000 4.546 4.171 4.815 . 0 0 "[ . 1 .]" 1
75 1 8 THR MG 1 12 LEU HG 2.700 . 3.600 3.467 3.107 3.628 0.028 2 0 "[ . 1 .]" 1
76 1 20 GLY HA2 1 26 PRO HA 3.500 . 5.000 4.214 3.928 4.444 . 0 0 "[ . 1 .]" 1
77 1 20 GLY HA3 1 26 PRO HA 3.500 . 5.000 4.695 4.094 5.006 0.006 11 0 "[ . 1 .]" 1
78 1 30 PHE QD 1 36 LEU MD1 3.500 . 5.000 3.745 3.404 3.914 . 0 0 "[ . 1 .]" 1
79 1 59 LYS HA 1 62 ARG QD 3.400 . 4.800 2.595 1.830 4.014 0.170 2 0 "[ . 1 .]" 1
80 1 31 MET ME 1 39 MET ME 1.900 . 2.400 2.173 1.947 2.403 0.003 5 0 "[ . 1 .]" 1
81 1 2 LEU H 1 2 LEU HA 2.400 . 3.100 2.841 2.260 2.952 . 0 0 "[ . 1 .]" 1
82 1 2 LEU H 1 2 LEU HB2 2.700 . 3.600 2.501 2.125 3.725 0.125 2 0 "[ . 1 .]" 1
83 1 2 LEU H 1 2 LEU HB3 2.700 . 3.600 3.562 3.407 3.676 0.076 2 0 "[ . 1 .]" 1
84 1 2 LEU H 1 2 LEU HG 2.900 . 4.000 2.704 1.789 3.892 0.011 5 0 "[ . 1 .]" 1
85 1 2 LEU H 1 2 LEU MD1 3.500 . 5.000 3.464 2.913 4.034 . 0 0 "[ . 1 .]" 1
86 1 2 LEU H 1 2 LEU MD2 3.400 . 4.800 3.818 2.771 4.541 . 0 0 "[ . 1 .]" 1
87 1 3 ASN H 1 3 ASN HB2 2.900 . 4.000 2.666 2.060 3.673 . 0 0 "[ . 1 .]" 1
88 1 4 ASN H 1 4 ASN HB2 3.700 . 5.400 2.873 2.134 3.585 . 0 0 "[ . 1 .]" 1
89 1 4 ASN H 1 4 ASN HB3 3.500 . 5.100 2.646 2.106 3.205 . 0 0 "[ . 1 .]" 1
90 1 5 LEU H 1 5 LEU HB2 2.800 . 3.800 2.128 2.048 2.237 . 0 0 "[ . 1 .]" 1
91 1 5 LEU H 1 5 LEU HB3 2.800 . 3.800 2.993 2.840 3.061 . 0 0 "[ . 1 .]" 1
92 1 5 LEU H 1 5 LEU HG 3.200 . 4.500 4.112 3.996 4.287 . 0 0 "[ . 1 .]" 1
93 1 5 LEU H 1 5 LEU MD1 3.900 . 5.800 3.819 3.572 3.966 . 0 0 "[ . 1 .]" 1
94 1 5 LEU H 1 5 LEU MD2 3.700 . 5.400 4.404 4.356 4.458 . 0 0 "[ . 1 .]" 1
95 1 6 ARG H 1 6 ARG HA 2.700 . 3.600 2.831 2.790 2.860 . 0 0 "[ . 1 .]" 1
96 1 6 ARG H 1 6 ARG QB 2.300 . 3.000 2.184 2.067 2.272 . 0 0 "[ . 1 .]" 1
97 1 6 ARG H 1 6 ARG HG2 2.600 . 6.000 4.450 4.142 4.698 . 0 0 "[ . 1 .]" 1
98 1 7 MET H 1 7 MET HA 2.600 . 3.400 2.833 2.807 2.858 . 0 0 "[ . 1 .]" 1
99 1 7 MET H 1 7 MET HB2 2.300 . 3.000 2.269 2.061 2.574 . 0 0 "[ . 1 .]" 1
100 1 7 MET H 1 7 MET HB3 3.200 . 4.500 2.930 2.472 3.497 . 0 0 "[ . 1 .]" 1
101 1 7 MET H 1 7 MET HG2 3.000 . 6.000 4.382 3.822 4.664 . 0 0 "[ . 1 .]" 1
102 1 7 MET H 1 7 MET HG3 3.200 . 4.500 4.241 3.698 4.539 0.039 8 0 "[ . 1 .]" 1
103 1 8 THR H 1 8 THR HA 2.800 . 3.800 2.820 2.797 2.841 . 0 0 "[ . 1 .]" 1
104 1 8 THR H 1 8 THR HB 2.600 . 3.400 2.670 2.435 2.807 . 0 0 "[ . 1 .]" 1
105 1 8 THR H 1 8 THR MG 3.200 . 4.500 3.732 3.669 3.761 . 0 0 "[ . 1 .]" 1
106 1 9 TYR H 1 9 TYR HA 2.800 . 3.700 2.816 2.785 2.831 . 0 0 "[ . 1 .]" 1
107 1 9 TYR H 1 9 TYR HB2 2.600 . 3.400 2.648 2.433 2.847 . 0 0 "[ . 1 .]" 1
108 1 9 TYR H 1 9 TYR HB3 2.600 . 3.500 2.378 2.140 2.546 . 0 0 "[ . 1 .]" 1
109 1 10 GLU H 1 10 GLU HA 2.700 . 3.600 2.823 2.802 2.861 . 0 0 "[ . 1 .]" 1
110 1 10 GLU H 1 10 GLU HB2 2.500 . 3.300 2.289 2.052 2.984 . 0 0 "[ . 1 .]" 1
111 1 10 GLU H 1 10 GLU HB3 2.500 . 6.000 3.158 2.131 3.532 . 0 0 "[ . 1 .]" 1
112 1 10 GLU H 1 10 GLU HG2 2.700 . 6.000 3.819 2.818 4.508 . 0 0 "[ . 1 .]" 1
113 1 10 GLU H 1 10 GLU HG3 2.900 . 3.900 3.770 2.890 4.584 0.684 1 3 "[+ - 1 *]" 1
114 1 11 ARG H 1 11 ARG HA 2.600 . 3.400 2.828 2.797 2.849 . 0 0 "[ . 1 .]" 1
115 1 11 ARG H 1 11 ARG HB2 2.300 . 3.000 2.277 2.146 2.460 . 0 0 "[ . 1 .]" 1
116 1 11 ARG H 1 11 ARG HB3 2.500 . 3.300 2.831 2.513 3.042 . 0 0 "[ . 1 .]" 1
117 1 11 ARG H 1 11 ARG HG2 2.800 . 6.000 4.594 4.136 4.685 . 0 0 "[ . 1 .]" 1
118 1 12 LEU H 1 12 LEU HA 2.600 . 3.500 2.868 2.846 2.893 . 0 0 "[ . 1 .]" 1
119 1 12 LEU H 1 12 LEU HB2 2.500 . 3.300 2.167 2.095 2.264 . 0 0 "[ . 1 .]" 1
120 1 12 LEU H 1 12 LEU HG 2.400 . 3.100 3.048 2.915 3.156 0.056 10 0 "[ . 1 .]" 1
121 1 12 LEU H 1 12 LEU HB3 2.900 . 4.000 3.475 3.419 3.542 . 0 0 "[ . 1 .]" 1
122 1 12 LEU H 1 12 LEU MD1 3.100 . 4.300 3.348 3.273 3.413 . 0 0 "[ . 1 .]" 1
123 1 12 LEU H 1 12 LEU MD2 3.000 . 6.000 4.162 4.097 4.217 . 0 0 "[ . 1 .]" 1
124 1 13 ARG H 1 13 ARG HA 2.700 . 3.600 2.842 2.813 2.865 . 0 0 "[ . 1 .]" 1
125 1 13 ARG H 1 13 ARG HB2 2.600 . 3.500 2.455 2.104 2.929 . 0 0 "[ . 1 .]" 1
126 1 13 ARG H 1 13 ARG HB3 2.700 . 3.600 2.619 2.177 3.008 . 0 0 "[ . 1 .]" 1
127 1 13 ARG H 1 13 ARG HG2 2.900 . 6.000 4.505 4.204 4.661 . 0 0 "[ . 1 .]" 1
128 1 13 ARG H 1 13 ARG HD2 4.000 . 6.000 4.961 4.365 5.786 . 0 0 "[ . 1 .]" 1
129 1 14 GLU H 1 14 GLU HA 2.600 . 3.400 2.843 2.825 2.870 . 0 0 "[ . 1 .]" 1
130 1 14 GLU H 1 14 GLU HB2 2.400 . 3.100 2.267 2.029 2.600 . 0 0 "[ . 1 .]" 1
131 1 14 GLU H 1 14 GLU HB3 2.400 . 3.100 2.848 2.388 3.184 0.084 11 0 "[ . 1 .]" 1
132 1 14 GLU H 1 14 GLU HG3 3.100 . 6.000 4.423 3.735 4.627 . 0 0 "[ . 1 .]" 1
133 1 14 GLU H 1 14 GLU HG2 3.000 . 6.000 4.381 3.627 4.608 . 0 0 "[ . 1 .]" 1
134 1 15 LEU H 1 15 LEU HA 2.500 . 3.300 2.856 2.837 2.874 . 0 0 "[ . 1 .]" 1
135 1 15 LEU H 1 15 LEU HB2 2.300 . 3.000 2.135 2.106 2.179 . 0 0 "[ . 1 .]" 1
136 1 15 LEU H 1 15 LEU HB3 2.500 . 3.300 3.000 2.955 3.026 . 0 0 "[ . 1 .]" 1
137 1 15 LEU H 1 15 LEU HG 3.800 . 5.600 4.109 4.045 4.199 . 0 0 "[ . 1 .]" 1
138 1 15 LEU H 1 15 LEU MD1 3.000 . 6.000 4.401 4.365 4.432 . 0 0 "[ . 1 .]" 1
139 1 15 LEU H 1 15 LEU MD2 3.000 . 4.100 3.928 3.861 3.961 . 0 0 "[ . 1 .]" 1
140 1 16 SER H 1 16 SER HA 2.800 . 3.800 2.819 2.805 2.834 . 0 0 "[ . 1 .]" 1
141 1 16 SER H 1 16 SER HB2 2.700 . 3.600 2.293 2.027 2.935 . 0 0 "[ . 1 .]" 1
142 1 16 SER H 1 16 SER HB3 2.500 . 3.300 3.273 2.182 3.615 0.315 15 0 "[ . 1 .]" 1
143 1 17 LEU H 1 17 LEU HA 2.700 . 3.600 2.870 2.835 2.898 . 0 0 "[ . 1 .]" 1
144 1 17 LEU H 1 17 LEU HB2 2.500 . 3.300 2.111 2.061 2.187 . 0 0 "[ . 1 .]" 1
145 1 17 LEU H 1 17 LEU HB3 2.900 . 3.900 3.371 3.293 3.479 . 0 0 "[ . 1 .]" 1
146 1 17 LEU H 1 17 LEU HG 2.500 . 6.000 4.211 3.968 4.466 . 0 0 "[ . 1 .]" 1
147 1 17 LEU H 1 17 LEU MD1 3.100 . 4.300 2.659 2.343 2.883 . 0 0 "[ . 1 .]" 1
148 1 17 LEU H 1 17 LEU MD2 3.100 . 4.300 4.116 3.837 4.284 . 0 0 "[ . 1 .]" 1
149 1 18 ASN H 1 18 ASN HA 2.600 . 3.400 2.856 2.826 2.905 . 0 0 "[ . 1 .]" 1
150 1 18 ASN H 1 18 ASN HB2 2.400 . 3.100 2.241 2.042 3.002 . 0 0 "[ . 1 .]" 1
151 1 18 ASN H 1 18 ASN HB3 2.700 . 3.600 3.023 2.203 3.444 . 0 0 "[ . 1 .]" 1
152 1 19 LEU H 1 19 LEU HA 2.900 . 3.900 2.820 2.784 2.846 . 0 0 "[ . 1 .]" 1
153 1 19 LEU H 1 19 LEU HB2 2.600 . 3.400 2.426 2.311 2.535 . 0 0 "[ . 1 .]" 1
154 1 19 LEU H 1 19 LEU HB3 2.900 . 3.900 3.584 3.551 3.601 . 0 0 "[ . 1 .]" 1
155 1 19 LEU H 1 19 LEU HG 2.600 . 3.400 2.424 2.213 2.667 . 0 0 "[ . 1 .]" 1
156 1 19 LEU H 1 19 LEU MD1 3.200 . 4.500 3.407 3.111 3.676 . 0 0 "[ . 1 .]" 1
157 1 19 LEU H 1 19 LEU MD2 3.200 . 4.500 3.702 3.488 3.889 . 0 0 "[ . 1 .]" 1
158 1 20 GLY H 1 20 GLY HA2 2.500 . 3.300 2.802 2.788 2.824 . 0 0 "[ . 1 .]" 1
159 1 20 GLY H 1 20 GLY HA3 2.800 . 3.700 2.291 2.282 2.299 . 0 0 "[ . 1 .]" 1
160 1 21 ASN H 1 21 ASN HA 2.700 . 3.600 2.900 2.853 2.939 . 0 0 "[ . 1 .]" 1
161 1 21 ASN H 1 21 ASN HB3 2.400 . 3.100 2.691 2.134 3.039 . 0 0 "[ . 1 .]" 1
162 1 21 ASN H 1 21 ASN HB2 2.500 . 3.300 2.569 2.316 3.408 0.108 14 0 "[ . 1 .]" 1
163 1 22 ARG H 1 22 ARG HA 2.700 . 3.600 2.913 2.897 2.928 . 0 0 "[ . 1 .]" 1
164 1 22 ARG H 1 22 ARG HB2 2.900 . 4.000 2.468 2.266 2.990 . 0 0 "[ . 1 .]" 1
165 1 22 ARG H 1 22 ARG HB3 2.500 . 3.300 2.768 2.204 2.985 . 0 0 "[ . 1 .]" 1
166 1 22 ARG H 1 22 ARG HD2 4.300 . 6.000 4.844 3.940 5.996 . 0 0 "[ . 1 .]" 1
167 1 23 MET H 1 23 MET HA 2.500 . 3.300 2.912 2.829 2.937 . 0 0 "[ . 1 .]" 1
168 1 23 MET H 1 23 MET HB3 2.700 . 3.600 3.013 2.312 3.494 . 0 0 "[ . 1 .]" 1
169 1 23 MET H 1 23 MET HB2 3.400 . 4.800 2.379 2.185 2.865 . 0 0 "[ . 1 .]" 1
170 1 23 MET H 1 23 MET QG 2.600 . 6.000 3.853 3.280 4.016 . 0 0 "[ . 1 .]" 1
171 1 24 VAL H 1 24 VAL HA 2.800 . 3.800 2.900 2.248 2.955 . 0 0 "[ . 1 .]" 1
172 1 24 VAL H 1 24 VAL HB 2.400 . 3.100 2.854 2.691 3.345 0.245 12 0 "[ . 1 .]" 1
173 1 24 VAL H 1 24 VAL MG1 2.500 . 6.000 3.918 3.839 4.055 . 0 0 "[ . 1 .]" 1
174 1 27 VAL H 1 27 VAL HA 2.300 . 2.900 2.882 2.834 2.931 0.031 13 0 "[ . 1 .]" 1
175 1 27 VAL H 1 27 VAL HB 2.700 . 3.600 2.927 2.786 3.134 . 0 0 "[ . 1 .]" 1
176 1 27 VAL H 1 27 VAL MG1 2.700 . 6.000 3.725 3.652 3.780 . 0 0 "[ . 1 .]" 1
177 1 27 VAL H 1 27 VAL MG2 2.700 . 3.600 1.883 1.764 1.989 0.036 11 0 "[ . 1 .]" 1
178 1 29 ASN H 1 29 ASN HA 2.700 . 3.600 2.934 2.915 2.949 . 0 0 "[ . 1 .]" 1
179 1 29 ASN H 1 29 ASN HB3 4.000 . 6.000 2.990 2.586 3.573 . 0 0 "[ . 1 .]" 1
180 1 30 PHE H 1 30 PHE HA 2.800 . 3.800 2.748 2.594 2.813 . 0 0 "[ . 1 .]" 1
181 1 30 PHE H 1 30 PHE HB2 2.700 . 3.600 2.362 2.244 2.541 . 0 0 "[ . 1 .]" 1
182 1 30 PHE H 1 30 PHE HB3 2.600 . 3.400 2.619 2.314 2.795 . 0 0 "[ . 1 .]" 1
183 1 31 MET H 1 31 MET HA 2.900 . 3.900 2.924 2.882 2.947 . 0 0 "[ . 1 .]" 1
184 1 31 MET H 1 31 MET HB2 2.900 . 3.900 2.891 2.604 3.131 . 0 0 "[ . 1 .]" 1
185 1 31 MET H 1 31 MET HB3 2.700 . 3.600 2.901 2.693 3.050 . 0 0 "[ . 1 .]" 1
186 1 31 MET H 1 31 MET HG2 3.900 . 5.800 4.922 4.726 5.092 . 0 0 "[ . 1 .]" 1
187 1 31 MET H 1 31 MET HG3 4.100 . 6.000 4.668 4.542 4.785 . 0 0 "[ . 1 .]" 1
188 1 33 ASP H 1 33 ASP HB3 3.500 . 5.100 2.557 2.126 3.092 . 0 0 "[ . 1 .]" 1
189 1 33 ASP H 1 33 ASP HB2 3.700 . 5.400 2.570 2.089 3.560 . 0 0 "[ . 1 .]" 1
190 1 34 SER H 1 34 SER HB3 3.100 . 4.300 3.242 3.047 3.593 . 0 0 "[ . 1 .]" 1
191 1 35 ILE H 1 35 ILE HA 2.700 . 3.600 2.839 2.810 2.880 . 0 0 "[ . 1 .]" 1
192 1 35 ILE H 1 35 ILE HB 2.500 . 3.300 2.610 2.511 2.704 . 0 0 "[ . 1 .]" 1
193 1 35 ILE H 1 35 ILE MG 3.100 . 4.300 3.785 3.762 3.801 . 0 0 "[ . 1 .]" 1
194 1 35 ILE H 1 35 ILE HG12 2.700 . 3.600 2.060 1.935 2.325 . 0 0 "[ . 1 .]" 1
195 1 35 ILE H 1 35 ILE HG13 2.900 . 3.900 3.354 2.917 3.552 . 0 0 "[ . 1 .]" 1
196 1 35 ILE H 1 35 ILE MD 3.300 . 4.700 3.468 3.011 3.789 . 0 0 "[ . 1 .]" 1
197 1 36 LEU H 1 36 LEU HA 2.900 . 3.900 2.815 2.791 2.831 . 0 0 "[ . 1 .]" 1
198 1 36 LEU H 1 36 LEU HB2 2.700 . 3.600 2.470 2.409 2.507 . 0 0 "[ . 1 .]" 1
199 1 36 LEU H 1 36 LEU HB3 3.100 . 4.300 3.601 3.582 3.612 . 0 0 "[ . 1 .]" 1
200 1 36 LEU H 1 36 LEU HG 2.600 . 3.400 2.369 2.266 2.461 . 0 0 "[ . 1 .]" 1
201 1 36 LEU H 1 36 LEU MD1 3.000 . 4.100 3.454 3.324 3.555 . 0 0 "[ . 1 .]" 1
202 1 36 LEU H 1 36 LEU MD2 3.200 . 4.500 3.616 3.502 3.720 . 0 0 "[ . 1 .]" 1
203 1 37 LYS H 1 37 LYS HA 2.600 . 3.400 2.834 2.808 2.850 . 0 0 "[ . 1 .]" 1
204 1 37 LYS H 1 37 LYS HB2 2.400 . 3.100 2.213 2.119 2.308 . 0 0 "[ . 1 .]" 1
205 1 37 LYS H 1 37 LYS HB3 3.500 . 5.000 3.505 3.441 3.547 . 0 0 "[ . 1 .]" 1
206 1 37 LYS H 1 37 LYS HG2 2.700 . 6.000 3.970 3.517 4.218 . 0 0 "[ . 1 .]" 1
207 1 37 LYS H 1 37 LYS HG3 3.100 . 4.300 2.812 2.549 3.103 . 0 0 "[ . 1 .]" 1
208 1 37 LYS H 1 37 LYS HD2 2.700 . 6.000 4.069 3.536 4.949 . 0 0 "[ . 1 .]" 1
209 1 37 LYS H 1 37 LYS HE3 3.800 . 6.000 4.881 3.805 5.699 . 0 0 "[ . 1 .]" 1
210 1 37 LYS H 1 37 LYS HE2 2.800 . 6.000 5.655 3.318 6.087 0.087 2 0 "[ . 1 .]" 1
211 1 38 LYS H 1 38 LYS HA 2.700 . 3.600 2.842 2.818 2.860 . 0 0 "[ . 1 .]" 1
212 1 38 LYS H 1 38 LYS HB2 2.700 . 3.600 3.561 3.404 3.620 0.020 8 0 "[ . 1 .]" 1
213 1 38 LYS H 1 38 LYS HB3 2.600 . 3.400 2.964 2.733 3.351 . 0 0 "[ . 1 .]" 1
214 1 38 LYS H 1 38 LYS HG2 2.400 . 3.100 1.844 1.688 2.145 0.012 13 0 "[ . 1 .]" 1
215 1 38 LYS H 1 38 LYS HG3 3.000 . 4.200 2.672 2.000 3.267 . 0 0 "[ . 1 .]" 1
216 1 38 LYS H 1 38 LYS HD2 2.400 . 6.000 4.341 4.148 4.499 . 0 0 "[ . 1 .]" 1
217 1 39 MET H 1 39 MET HA 2.900 . 4.000 2.829 2.817 2.845 . 0 0 "[ . 1 .]" 1
218 1 39 MET H 1 39 MET HB2 2.900 . 3.900 3.399 3.346 3.493 . 0 0 "[ . 1 .]" 1
219 1 39 MET H 1 39 MET HB3 3.300 . 4.700 2.110 2.063 2.201 . 0 0 "[ . 1 .]" 1
220 1 39 MET H 1 39 MET HG2 2.700 . 3.600 3.397 3.187 3.546 . 0 0 "[ . 1 .]" 1
221 1 39 MET H 1 39 MET HG3 2.800 . 6.000 3.971 3.629 4.426 . 0 0 "[ . 1 .]" 1
222 1 40 ALA H 1 40 ALA HA 2.600 . 3.500 2.877 2.852 2.893 . 0 0 "[ . 1 .]" 1
223 1 41 ALA H 1 41 ALA HA 2.400 . 3.100 2.879 2.862 2.906 . 0 0 "[ . 1 .]" 1
224 1 42 ILE H 1 42 ILE HA 2.800 . 3.800 2.905 2.882 2.931 . 0 0 "[ . 1 .]" 1
225 1 42 ILE H 1 42 ILE HB 2.500 . 3.300 2.266 2.225 2.303 . 0 0 "[ . 1 .]" 1
226 1 42 ILE H 1 42 ILE MG 2.800 . 3.800 3.651 3.609 3.687 . 0 0 "[ . 1 .]" 1
227 1 42 ILE H 1 42 ILE HG12 2.800 . 6.000 4.290 4.191 4.423 . 0 0 "[ . 1 .]" 1
228 1 42 ILE H 1 42 ILE HG13 2.800 . 3.800 3.559 3.362 3.834 0.034 3 0 "[ . 1 .]" 1
229 1 42 ILE H 1 42 ILE MD 2.800 . 3.800 2.434 2.036 2.719 . 0 0 "[ . 1 .]" 1
230 1 43 LEU H 1 43 LEU HA 2.700 . 3.600 2.261 2.251 2.270 . 0 0 "[ . 1 .]" 1
231 1 43 LEU H 1 43 LEU HB2 4.000 . 6.000 3.271 3.221 3.336 . 0 0 "[ . 1 .]" 1
232 1 43 LEU H 1 43 LEU HG 3.700 . 5.400 3.069 2.819 3.435 . 0 0 "[ . 1 .]" 1
233 1 43 LEU H 1 43 LEU QD 3.700 . 4.600 3.390 3.130 3.633 . 0 0 "[ . 1 .]" 1
234 1 45 MET H 1 45 MET HA 2.900 . 3.900 2.886 2.823 2.937 . 0 0 "[ . 1 .]" 1
235 1 45 MET H 1 45 MET HB2 3.000 . 4.100 2.278 2.083 3.478 . 0 0 "[ . 1 .]" 1
236 1 45 MET H 1 45 MET HB3 2.600 . 6.000 3.355 2.164 3.621 . 0 0 "[ . 1 .]" 1
237 1 45 MET H 1 45 MET HG3 3.000 . 4.100 3.477 2.758 4.163 0.063 2 0 "[ . 1 .]" 1
238 1 45 MET H 1 45 MET HG2 3.000 . 4.100 3.711 2.921 4.093 . 0 0 "[ . 1 .]" 1
239 1 46 ASN H 1 46 ASN HA 2.600 . 3.500 2.918 2.881 2.951 . 0 0 "[ . 1 .]" 1
240 1 46 ASN H 1 46 ASN HB3 3.400 . 4.800 3.105 2.085 3.442 . 0 0 "[ . 1 .]" 1
241 1 46 ASN H 1 46 ASN HB2 3.200 . 4.500 3.126 2.605 3.865 . 0 0 "[ . 1 .]" 1
242 1 48 SER H 1 48 SER HB3 4.000 . 6.000 3.392 3.173 4.007 . 0 0 "[ . 1 .]" 1
243 1 49 ALA H 1 49 ALA HA 2.400 . 3.100 2.855 2.822 2.910 . 0 0 "[ . 1 .]" 1
244 1 49 ALA H 1 49 ALA MB 2.200 . 2.800 2.144 2.030 2.287 . 0 0 "[ . 1 .]" 1
245 1 50 PHE H 1 50 PHE HA 2.800 . 3.800 2.790 2.742 2.832 . 0 0 "[ . 1 .]" 1
246 1 50 PHE H 1 50 PHE HB2 2.700 . 3.600 2.161 2.053 2.287 . 0 0 "[ . 1 .]" 1
247 1 50 PHE H 1 50 PHE HB3 2.500 . 6.000 3.465 3.340 3.551 . 0 0 "[ . 1 .]" 1
248 1 51 ALA H 1 51 ALA HA 2.400 . 3.100 2.806 2.775 2.846 . 0 0 "[ . 1 .]" 1
249 1 52 THR H 1 52 THR HA 2.700 . 3.600 2.873 2.822 2.917 . 0 0 "[ . 1 .]" 1
250 1 52 THR H 1 52 THR HB 2.900 . 3.900 3.492 3.290 3.647 . 0 0 "[ . 1 .]" 1
251 1 52 THR H 1 52 THR MG 2.500 . 3.300 2.910 2.176 3.338 0.038 5 0 "[ . 1 .]" 1
252 1 53 LEU H 1 53 LEU HA 2.700 . 3.600 2.887 2.842 2.918 . 0 0 "[ . 1 .]" 1
253 1 53 LEU H 1 53 LEU HG 2.400 . 3.100 2.871 2.297 3.196 0.096 10 0 "[ . 1 .]" 1
254 1 53 LEU H 1 53 LEU HB3 2.800 . 3.800 3.567 3.506 3.662 . 0 0 "[ . 1 .]" 1
255 1 53 LEU H 1 53 LEU HB2 2.300 . 2.900 2.334 2.213 2.627 . 0 0 "[ . 1 .]" 1
256 1 53 LEU H 1 53 LEU MD1 2.700 . 6.000 4.059 3.725 4.285 . 0 0 "[ . 1 .]" 1
257 1 53 LEU H 1 53 LEU MD2 2.700 . 3.600 3.368 3.148 3.656 0.056 13 0 "[ . 1 .]" 1
258 1 54 GLY H 1 54 GLY HA2 2.400 . 3.100 2.413 2.292 2.587 . 0 0 "[ . 1 .]" 1
259 1 54 GLY H 1 54 GLY HA3 2.400 . 3.100 2.924 2.857 2.957 . 0 0 "[ . 1 .]" 1
260 1 55 THR H 1 55 THR HB 4.200 . 6.000 3.610 3.155 4.069 . 0 0 "[ . 1 .]" 1
261 1 56 VAL H 1 56 VAL HA 2.900 . 3.900 2.870 2.770 2.944 . 0 0 "[ . 1 .]" 1
262 1 56 VAL H 1 56 VAL HB 3.000 . 4.100 3.675 3.566 3.883 . 0 0 "[ . 1 .]" 1
263 1 56 VAL H 1 56 VAL MG1 3.100 . 4.300 2.675 2.040 3.218 . 0 0 "[ . 1 .]" 1
264 1 56 VAL H 1 56 VAL MG2 2.700 . 3.600 2.089 1.879 2.322 . 0 0 "[ . 1 .]" 1
265 1 57 GLU H 1 57 GLU HA 2.700 . 3.600 2.817 2.739 2.862 . 0 0 "[ . 1 .]" 1
266 1 57 GLU H 1 57 GLU HB2 2.600 . 3.400 2.128 2.049 2.250 . 0 0 "[ . 1 .]" 1
267 1 57 GLU H 1 57 GLU HB3 2.600 . 3.400 3.296 2.753 3.500 0.100 6 0 "[ . 1 .]" 1
268 1 57 GLU H 1 57 GLU HG2 2.600 . 6.000 4.178 3.588 4.603 . 0 0 "[ . 1 .]" 1
269 1 58 ASP H 1 58 ASP HA 2.800 . 3.800 2.799 2.771 2.829 . 0 0 "[ . 1 .]" 1
270 1 58 ASP H 1 58 ASP HB3 3.300 . 4.600 2.677 2.079 3.104 . 0 0 "[ . 1 .]" 1
271 1 58 ASP H 1 58 ASP HB2 3.500 . 5.000 2.463 2.140 3.148 . 0 0 "[ . 1 .]" 1
272 1 59 LYS H 1 59 LYS HA 2.800 . 3.800 2.830 2.800 2.862 . 0 0 "[ . 1 .]" 1
273 1 59 LYS H 1 59 LYS HB3 2.900 . 3.900 2.518 2.160 2.783 . 0 0 "[ . 1 .]" 1
274 1 59 LYS H 1 59 LYS HB2 4.300 . 6.000 3.590 3.472 3.628 . 0 0 "[ . 1 .]" 1
275 1 59 LYS H 1 59 LYS HG2 2.800 . 3.800 2.458 1.838 3.298 . 0 0 "[ . 1 .]" 1
276 1 59 LYS H 1 59 LYS HG3 3.400 . 4.800 3.814 3.299 4.335 . 0 0 "[ . 1 .]" 1
277 1 59 LYS H 1 59 LYS QD 2.700 . 3.600 2.936 1.813 3.513 0.187 14 0 "[ . 1 .]" 1
278 1 59 LYS H 1 59 LYS HE2 4.300 . 6.000 5.046 4.547 5.567 . 0 0 "[ . 1 .]" 1
279 1 60 TYR H 1 60 TYR HA 2.900 . 4.000 2.890 2.870 2.919 . 0 0 "[ . 1 .]" 1
280 1 60 TYR H 1 60 TYR HB3 2.900 . 3.900 3.595 3.551 3.633 . 0 0 "[ . 1 .]" 1
281 1 60 TYR H 1 60 TYR HB2 2.700 . 3.600 2.361 2.265 2.474 . 0 0 "[ . 1 .]" 1
282 1 61 ARG H 1 61 ARG HA 2.600 . 3.500 2.830 2.806 2.866 . 0 0 "[ . 1 .]" 1
283 1 61 ARG H 1 61 ARG HB3 2.600 . 3.500 3.408 2.947 3.617 0.117 5 0 "[ . 1 .]" 1
284 1 61 ARG H 1 61 ARG HG3 3.000 . 4.100 3.377 2.426 4.130 0.030 15 0 "[ . 1 .]" 1
285 1 61 ARG H 1 61 ARG HG2 3.400 . 4.800 3.459 2.280 4.645 . 0 0 "[ . 1 .]" 1
286 1 61 ARG H 1 61 ARG HD2 3.300 . 6.000 4.803 3.427 5.552 . 0 0 "[ . 1 .]" 1
287 1 62 ARG H 1 62 ARG HA 2.700 . 3.600 2.785 2.750 2.815 . 0 0 "[ . 1 .]" 1
288 1 62 ARG H 1 62 ARG HB3 2.700 . 3.600 3.194 2.084 3.644 0.044 5 0 "[ . 1 .]" 1
289 1 62 ARG H 1 62 ARG HB2 2.300 . 6.000 2.413 2.007 2.971 . 0 0 "[ . 1 .]" 1
290 1 62 ARG H 1 62 ARG HG2 2.300 . 6.000 3.808 1.979 4.499 . 0 0 "[ . 1 .]" 1
291 1 62 ARG H 1 62 ARG HG3 2.900 . 3.900 3.346 2.051 4.613 0.713 12 3 "[ * . 1-+ .]" 1
292 1 62 ARG H 1 62 ARG QD 3.000 . 4.100 3.407 2.738 4.097 . 0 0 "[ . 1 .]" 1
293 1 63 ARG H 1 63 ARG HB2 3.000 . 4.100 3.404 2.342 3.679 . 0 0 "[ . 1 .]" 1
294 1 63 ARG H 1 63 ARG HB3 2.500 . 3.300 2.488 2.125 3.587 0.287 5 0 "[ . 1 .]" 1
295 1 63 ARG H 1 63 ARG HG2 3.200 . 4.500 3.718 2.927 4.165 . 0 0 "[ . 1 .]" 1
296 1 63 ARG H 1 63 ARG HG3 3.800 . 5.600 4.116 3.276 4.442 . 0 0 "[ . 1 .]" 1
297 1 64 PHE H 1 64 PHE HA 2.700 . 3.600 2.834 2.782 2.878 . 0 0 "[ . 1 .]" 1
298 1 64 PHE H 1 64 PHE HB2 2.400 . 3.100 2.100 2.063 2.145 . 0 0 "[ . 1 .]" 1
299 1 64 PHE H 1 64 PHE HB3 2.400 . 6.000 3.280 3.191 3.424 . 0 0 "[ . 1 .]" 1
300 1 65 LYS H 1 65 LYS HA 2.800 . 3.800 2.788 2.756 2.833 . 0 0 "[ . 1 .]" 1
301 1 65 LYS H 1 65 LYS HB3 2.600 . 6.000 2.595 2.391 2.962 . 0 0 "[ . 1 .]" 1
302 1 65 LYS H 1 65 LYS HG2 2.800 . 3.800 2.243 1.805 2.955 . 0 0 "[ . 1 .]" 1
303 1 65 LYS H 1 65 LYS HG3 3.200 . 4.500 2.972 1.751 3.680 0.149 8 0 "[ . 1 .]" 1
304 1 65 LYS H 1 65 LYS HD2 3.500 . 5.100 4.345 3.852 4.979 . 0 0 "[ . 1 .]" 1
305 1 65 LYS H 1 65 LYS HD3 3.500 . 5.100 4.185 3.381 4.704 . 0 0 "[ . 1 .]" 1
306 1 65 LYS H 1 65 LYS HE3 3.700 . 5.400 4.942 3.541 5.751 0.351 5 0 "[ . 1 .]" 1
307 1 66 TYR H 1 66 TYR HA 2.900 . 3.900 2.883 2.865 2.912 . 0 0 "[ . 1 .]" 1
308 1 66 TYR H 1 66 TYR HB3 3.000 . 4.200 3.609 3.555 3.654 . 0 0 "[ . 1 .]" 1
309 1 66 TYR H 1 66 TYR HB2 2.700 . 3.600 2.446 2.283 2.637 . 0 0 "[ . 1 .]" 1
310 1 67 PHE H 1 67 PHE HA 2.900 . 4.000 2.947 2.935 2.955 . 0 0 "[ . 1 .]" 1
311 1 68 LYS H 1 68 LYS HA 2.500 . 3.300 2.754 2.713 2.788 . 0 0 "[ . 1 .]" 1
312 1 68 LYS H 1 68 LYS HB2 2.600 . 3.500 2.125 2.032 2.324 . 0 0 "[ . 1 .]" 1
313 1 68 LYS H 1 68 LYS HB3 2.400 . 6.000 3.309 3.045 3.559 . 0 0 "[ . 1 .]" 1
314 1 68 LYS H 1 68 LYS HG3 3.600 . 5.200 3.844 2.839 4.533 . 0 0 "[ . 1 .]" 1
315 1 68 LYS H 1 68 LYS HG2 3.200 . 4.500 4.074 2.573 4.598 0.098 15 0 "[ . 1 .]" 1
316 1 68 LYS H 1 68 LYS HD3 2.700 . 6.000 3.823 2.645 4.964 . 0 0 "[ . 1 .]" 1
317 1 68 LYS H 1 68 LYS HD2 3.700 . 5.400 4.373 3.161 5.003 . 0 0 "[ . 1 .]" 1
318 1 68 LYS H 1 68 LYS HE3 3.500 . 6.000 5.321 4.078 6.094 0.094 6 0 "[ . 1 .]" 1
319 1 70 THR H 1 70 THR HA 2.300 . 3.000 2.874 2.844 2.910 . 0 0 "[ . 1 .]" 1
320 1 70 THR H 1 70 THR HB 2.300 . 3.000 2.934 2.723 3.077 0.077 12 0 "[ . 1 .]" 1
321 1 70 THR H 1 70 THR MG 3.100 . 4.300 3.637 3.537 3.818 . 0 0 "[ . 1 .]" 1
322 1 71 ILE H 1 71 ILE HA 2.800 . 3.800 2.804 2.782 2.817 . 0 0 "[ . 1 .]" 1
323 1 71 ILE H 1 71 ILE HB 2.400 . 3.100 2.649 2.482 2.765 . 0 0 "[ . 1 .]" 1
324 1 71 ILE H 1 71 ILE MG 2.900 . 4.000 3.774 3.756 3.800 . 0 0 "[ . 1 .]" 1
325 1 71 ILE H 1 71 ILE HG12 2.900 . 3.900 3.351 3.219 3.472 . 0 0 "[ . 1 .]" 1
326 1 71 ILE H 1 71 ILE HG13 2.900 . 4.000 1.945 1.793 2.243 0.007 14 0 "[ . 1 .]" 1
327 1 71 ILE H 1 71 ILE MD 3.100 . 4.300 3.359 3.153 3.718 . 0 0 "[ . 1 .]" 1
328 1 72 ALA H 1 72 ALA HA 2.500 . 3.300 2.839 2.797 2.879 . 0 0 "[ . 1 .]" 1
329 1 73 ASP H 1 73 ASP HA 2.500 . 3.300 2.850 2.799 2.919 . 0 0 "[ . 1 .]" 1
330 1 73 ASP H 1 73 ASP QB 2.200 . 2.800 2.210 2.055 2.316 . 0 0 "[ . 1 .]" 1
331 1 74 LEU H 1 74 LEU HA 2.700 . 3.600 2.817 2.776 2.856 . 0 0 "[ . 1 .]" 1
332 1 74 LEU H 1 74 LEU HB2 2.400 . 3.100 2.413 2.235 2.531 . 0 0 "[ . 1 .]" 1
333 1 74 LEU H 1 74 LEU HB3 2.900 . 4.000 3.573 3.516 3.610 . 0 0 "[ . 1 .]" 1
334 1 74 LEU H 1 74 LEU HG 2.400 . 3.100 2.427 2.172 2.888 . 0 0 "[ . 1 .]" 1
335 1 74 LEU H 1 74 LEU MD1 3.000 . 4.100 3.227 3.052 3.388 . 0 0 "[ . 1 .]" 1
336 1 74 LEU H 1 74 LEU MD2 3.000 . 4.200 3.795 3.568 4.096 . 0 0 "[ . 1 .]" 1
337 1 75 SER H 1 75 SER HA 2.300 . 3.000 2.856 2.823 2.889 . 0 0 "[ . 1 .]" 1
338 1 75 SER H 1 75 SER HB2 2.300 . 3.000 2.943 2.189 3.573 0.573 11 3 "[ - . *1+ .]" 1
339 1 76 LYS H 1 76 LYS HA 2.400 . 3.100 2.890 2.849 2.926 . 0 0 "[ . 1 .]" 1
340 1 76 LYS H 1 76 LYS HB2 2.200 . 2.800 2.287 2.121 3.173 0.373 14 0 "[ . 1 .]" 1
341 1 76 LYS H 1 76 LYS HG3 3.000 . 6.000 3.578 2.613 4.647 . 0 0 "[ . 1 .]" 1
342 1 76 LYS H 1 76 LYS HD2 3.400 . 4.900 4.395 3.311 5.631 0.731 9 1 "[ . +1 .]" 1
343 1 77 LYS H 1 77 LYS HA 2.400 . 3.100 2.880 2.816 2.944 . 0 0 "[ . 1 .]" 1
344 1 77 LYS H 1 77 LYS QB 2.500 . 3.300 2.484 2.205 2.729 . 0 0 "[ . 1 .]" 1
345 1 77 LYS H 1 77 LYS HG2 3.200 . 4.500 2.591 2.205 3.265 . 0 0 "[ . 1 .]" 1
346 1 77 LYS H 1 77 LYS HG3 3.000 . 4.100 3.196 2.399 3.731 . 0 0 "[ . 1 .]" 1
347 1 77 LYS H 1 77 LYS HD3 2.500 . 6.000 4.750 4.480 5.153 . 0 0 "[ . 1 .]" 1
348 1 77 LYS H 1 77 LYS HD2 3.200 . 6.000 4.907 4.488 5.472 . 0 0 "[ . 1 .]" 1
349 1 78 ARG H 1 78 ARG HA 2.700 . 3.600 2.837 2.783 2.888 . 0 0 "[ . 1 .]" 1
350 1 78 ARG H 1 78 ARG HB3 2.300 . 3.000 2.710 2.265 3.066 0.066 14 0 "[ . 1 .]" 1
351 1 78 ARG H 1 78 ARG HG2 3.500 . 5.000 4.274 2.798 4.611 . 0 0 "[ . 1 .]" 1
352 1 79 SER H 1 79 SER HB3 2.900 . 3.900 3.593 3.263 4.052 0.152 5 0 "[ . 1 .]" 1
353 1 80 SER H 1 80 SER HA 3.000 . 4.100 2.706 2.251 2.949 . 0 0 "[ . 1 .]" 1
354 1 80 SER H 1 80 SER HB3 2.900 . 4.000 3.806 3.584 4.040 0.040 9 0 "[ . 1 .]" 1
355 1 81 GLU H 1 81 GLU HG3 3.200 . 4.500 3.834 2.403 5.005 0.505 2 1 "[ + . 1 .]" 1
356 1 1 GLU HG3 1 2 LEU H 3.500 . 5.100 4.982 3.419 5.832 0.732 10 2 "[ . + - .]" 1
357 1 1 GLU HB2 1 2 LEU H 3.000 . 6.000 4.032 3.077 4.596 . 0 0 "[ . 1 .]" 1
358 1 2 LEU HA 1 3 ASN H 3.100 . 4.300 2.939 2.425 3.531 . 0 0 "[ . 1 .]" 1
359 1 2 LEU H 1 3 ASN H 3.300 . 4.600 3.063 1.979 4.586 0.021 15 0 "[ . 1 .]" 1
360 1 3 ASN H 1 4 ASN H 3.000 . 4.100 3.316 2.484 4.237 0.137 1 0 "[ . 1 .]" 1
361 1 5 LEU H 1 6 ARG H 2.700 . 3.600 2.617 2.312 2.741 . 0 0 "[ . 1 .]" 1
362 1 4 ASN HB3 1 5 LEU H 3.500 . 5.000 3.267 2.259 4.052 . 0 0 "[ . 1 .]" 1
363 1 4 ASN HB2 1 5 LEU H 3.300 . 4.700 3.832 2.980 4.471 . 0 0 "[ . 1 .]" 1
364 1 4 ASN HA 1 5 LEU H 3.400 . 4.800 3.478 3.327 3.583 . 0 0 "[ . 1 .]" 1
365 1 5 LEU HA 1 6 ARG H 3.300 . 4.600 3.502 3.457 3.545 . 0 0 "[ . 1 .]" 1
366 1 3 ASN HA 1 6 ARG H 3.300 . 4.700 3.724 2.888 4.265 . 0 0 "[ . 1 .]" 1
367 1 6 ARG QB 1 7 MET H 2.600 . 6.000 2.672 2.567 2.918 . 0 0 "[ . 1 .]" 1
368 1 6 ARG HG2 1 7 MET H 3.300 . 4.700 4.428 3.531 5.191 0.491 15 0 "[ . 1 .]" 1
369 1 4 ASN HB2 1 7 MET H 3.700 . 6.000 5.355 4.639 5.910 . 0 0 "[ . 1 .]" 1
370 1 5 LEU HA 1 7 MET H 3.700 . 5.400 4.228 4.075 4.443 . 0 0 "[ . 1 .]" 1
371 1 4 ASN HA 1 7 MET H 3.200 . 4.500 3.319 3.012 3.873 . 0 0 "[ . 1 .]" 1
372 1 7 MET HB2 1 8 THR H 2.800 . 3.800 3.511 2.920 3.852 0.052 9 0 "[ . 1 .]" 1
373 1 7 MET HA 1 8 THR H 3.200 . 4.500 3.506 3.483 3.542 . 0 0 "[ . 1 .]" 1
374 1 8 THR HB 1 9 TYR H 2.700 . 3.600 2.381 2.223 2.551 . 0 0 "[ . 1 .]" 1
375 1 6 ARG HA 1 9 TYR H 3.100 . 4.300 3.436 3.276 3.674 . 0 0 "[ . 1 .]" 1
376 1 8 THR HA 1 9 TYR H 3.200 . 4.500 3.548 3.530 3.582 . 0 0 "[ . 1 .]" 1
377 1 9 TYR H 1 10 GLU HB3 3.700 . 6.000 5.673 4.516 6.139 0.139 12 0 "[ . 1 .]" 1
378 1 5 LEU HB3 1 9 TYR H 3.700 . 5.400 5.172 4.907 5.385 . 0 0 "[ . 1 .]" 1
379 1 8 THR MG 1 9 TYR H 3.000 . 4.100 3.554 3.314 3.737 . 0 0 "[ . 1 .]" 1
380 1 5 LEU MD2 1 9 TYR H 3.600 . 5.200 3.789 3.565 4.086 . 0 0 "[ . 1 .]" 1
381 1 9 TYR H 1 11 ARG H 3.400 . 4.800 4.203 3.987 4.517 . 0 0 "[ . 1 .]" 1
382 1 9 TYR H 1 10 GLU H 2.700 . 3.600 2.666 2.617 2.743 . 0 0 "[ . 1 .]" 1
383 1 7 MET H 1 10 GLU H 1.700 . 6.000 4.636 4.514 4.747 . 0 0 "[ . 1 .]" 1
384 1 10 GLU H 1 11 ARG H 3.500 . 5.100 2.668 2.523 2.753 . 0 0 "[ . 1 .]" 1
385 1 9 TYR QD 1 10 GLU H 6.000 . 6.000 3.358 3.058 3.616 . 0 0 "[ . 1 .]" 1
386 1 10 GLU H 1 13 ARG HB2 1.800 . 6.000 5.312 4.800 5.902 . 0 0 "[ . 1 .]" 1
387 1 9 TYR HB3 1 10 GLU H 4.500 . 6.000 2.667 2.500 2.792 . 0 0 "[ . 1 .]" 1
388 1 9 TYR HB2 1 10 GLU H 2.500 . 6.000 3.968 3.798 4.083 . 0 0 "[ . 1 .]" 1
389 1 9 TYR HA 1 10 GLU H 4.100 . 6.000 3.540 3.521 3.563 . 0 0 "[ . 1 .]" 1
390 1 9 TYR HA 1 11 ARG H 3.000 . 6.000 4.529 4.325 4.752 . 0 0 "[ . 1 .]" 1
391 1 8 THR HA 1 11 ARG H 3.200 . 4.500 3.643 3.458 3.761 . 0 0 "[ . 1 .]" 1
392 1 10 GLU HA 1 11 ARG H 2.500 . 6.000 3.548 3.509 3.589 . 0 0 "[ . 1 .]" 1
393 1 12 LEU H 1 13 ARG H 3.600 . 5.200 2.480 2.377 2.550 . 0 0 "[ . 1 .]" 1
394 1 9 TYR HA 1 12 LEU H 4.200 . 6.000 3.540 3.399 3.723 . 0 0 "[ . 1 .]" 1
395 1 8 THR HA 1 12 LEU H 2.000 . 6.000 4.297 3.977 4.455 . 0 0 "[ . 1 .]" 1
396 1 13 ARG H 1 14 GLU H 2.600 . 3.400 2.561 2.436 2.697 . 0 0 "[ . 1 .]" 1
397 1 12 LEU MD2 1 13 ARG H 3.200 . 6.000 4.739 4.654 4.855 . 0 0 "[ . 1 .]" 1
398 1 12 LEU MD1 1 13 ARG H 2.200 . 6.000 4.486 4.422 4.590 . 0 0 "[ . 1 .]" 1
399 1 12 LEU HB2 1 13 ARG H 4.900 . 6.000 2.800 2.713 2.871 . 0 0 "[ . 1 .]" 1
400 1 11 ARG HG2 1 12 LEU H 3.400 . 6.000 4.784 4.095 5.094 . 0 0 "[ . 1 .]" 1
401 1 12 LEU HG 1 13 ARG H 3.100 . 6.000 4.768 4.703 4.832 . 0 0 "[ . 1 .]" 1
402 1 9 TYR HA 1 13 ARG H 2.800 . 6.000 4.232 4.006 4.458 . 0 0 "[ . 1 .]" 1
403 1 12 LEU HA 1 13 ARG H 3.000 . 4.100 3.522 3.497 3.547 . 0 0 "[ . 1 .]" 1
404 1 10 GLU HA 1 13 ARG H 2.200 . 6.000 3.287 3.059 3.462 . 0 0 "[ . 1 .]" 1
405 1 14 GLU H 1 15 LEU H 2.500 . 3.300 2.512 2.441 2.565 . 0 0 "[ . 1 .]" 1
406 1 13 ARG HB2 1 14 GLU H 3.300 . 4.700 3.759 3.337 4.064 . 0 0 "[ . 1 .]" 1
407 1 13 ARG HG2 1 14 GLU H 2.000 . 6.000 4.180 3.227 5.023 . 0 0 "[ . 1 .]" 1
408 1 13 ARG HB3 1 14 GLU H 4.800 . 6.000 2.659 2.509 2.793 . 0 0 "[ . 1 .]" 1
409 1 10 GLU HA 1 14 GLU H 3.100 . 4.300 4.030 3.893 4.182 . 0 0 "[ . 1 .]" 1
410 1 11 ARG HA 1 14 GLU H 2.900 . 4.000 3.477 3.285 3.627 . 0 0 "[ . 1 .]" 1
411 1 14 GLU HA 1 15 LEU H 2.100 . 6.000 3.505 3.490 3.519 . 0 0 "[ . 1 .]" 1
412 1 16 SER H 1 17 LEU H 2.700 . 3.600 2.621 2.546 2.725 . 0 0 "[ . 1 .]" 1
413 1 15 LEU H 1 16 SER H 2.500 . 3.300 2.463 2.384 2.555 . 0 0 "[ . 1 .]" 1
414 1 17 LEU H 1 18 ASN H 2.600 . 3.400 2.406 2.300 2.555 . 0 0 "[ . 1 .]" 1
415 1 18 ASN H 1 18 ASN HD21 3.400 . 4.900 3.814 2.949 4.128 . 0 0 "[ . 1 .]" 1
416 1 16 SER H 1 18 ASN H 3.200 . 4.500 3.942 3.850 4.079 . 0 0 "[ . 1 .]" 1
417 1 15 LEU HB2 1 16 SER H 2.400 . 6.000 3.444 3.303 3.542 . 0 0 "[ . 1 .]" 1
418 1 15 LEU HB3 1 16 SER H 5.500 . 6.000 2.848 2.631 2.982 . 0 0 "[ . 1 .]" 1
419 1 15 LEU HG 1 16 SER H 3.500 . 6.000 5.275 5.144 5.364 . 0 0 "[ . 1 .]" 1
420 1 12 LEU MD2 1 16 SER H 2.900 . 6.000 4.879 4.631 5.066 . 0 0 "[ . 1 .]" 1
421 1 15 LEU MD2 1 16 SER H 6.000 . 6.000 4.178 4.106 4.256 . 0 0 "[ . 1 .]" 1
422 1 16 SER H 1 36 LEU MD2 2.500 . 6.000 4.214 4.080 4.507 . 0 0 "[ . 1 .]" 1
423 1 17 LEU HB2 1 18 ASN H 2.800 . 3.800 3.115 3.019 3.290 . 0 0 "[ . 1 .]" 1
424 1 17 LEU HB3 1 18 ASN H 4.500 . 6.000 3.325 3.206 3.491 . 0 0 "[ . 1 .]" 1
425 1 17 LEU MD2 1 18 ASN H 3.100 . 6.000 4.862 4.756 4.948 . 0 0 "[ . 1 .]" 1
426 1 17 LEU MD1 1 18 ASN H 2.400 . 6.000 4.372 4.234 4.535 . 0 0 "[ . 1 .]" 1
427 1 14 GLU HA 1 17 LEU H 3.800 . 5.600 3.532 3.351 3.698 . 0 0 "[ . 1 .]" 1
428 1 16 SER HB2 1 17 LEU H 2.400 . 6.000 3.143 2.666 4.168 . 0 0 "[ . 1 .]" 1
429 1 13 ARG HA 1 16 SER H 3.100 . 4.300 3.368 3.081 3.596 . 0 0 "[ . 1 .]" 1
430 1 16 SER HA 1 17 LEU H 3.500 . 5.000 3.520 3.500 3.548 . 0 0 "[ . 1 .]" 1
431 1 17 LEU HA 1 18 ASN H 3.300 . 4.600 3.482 3.465 3.502 . 0 0 "[ . 1 .]" 1
432 1 14 GLU HA 1 18 ASN H 2.300 . 6.000 4.322 4.161 4.524 . 0 0 "[ . 1 .]" 1
433 1 18 ASN H 1 19 LEU H 3.600 . 5.200 2.708 2.528 2.830 . 0 0 "[ . 1 .]" 1
434 1 16 SER HA 1 19 LEU H 4.600 . 6.000 3.908 3.807 4.010 . 0 0 "[ . 1 .]" 1
435 1 19 LEU H 1 20 GLY HA2 2.200 . 6.000 5.218 5.109 5.351 . 0 0 "[ . 1 .]" 1
436 1 18 ASN HA 1 19 LEU H 2.800 . 3.800 3.572 3.553 3.592 . 0 0 "[ . 1 .]" 1
437 1 18 ASN HB2 1 19 LEU H 2.400 . 3.200 3.177 2.664 3.899 0.699 3 1 "[ + . 1 .]" 1
438 1 18 ASN HB3 1 19 LEU H 4.600 . 6.000 2.414 2.021 2.919 . 0 0 "[ . 1 .]" 1
439 1 16 SER HA 1 20 GLY H 3.700 . 5.500 3.626 3.475 3.775 . 0 0 "[ . 1 .]" 1
440 1 19 LEU HA 1 20 GLY H 6.000 . 6.000 3.511 3.488 3.542 . 0 0 "[ . 1 .]" 1
441 1 19 LEU HB2 1 20 GLY H 4.200 . 6.000 2.729 2.625 2.822 . 0 0 "[ . 1 .]" 1
442 1 19 LEU HB3 1 20 GLY H 4.900 . 6.000 3.640 3.438 3.809 . 0 0 "[ . 1 .]" 1
443 1 19 LEU H 1 20 GLY HA3 2.800 . 6.000 4.901 4.772 5.064 . 0 0 "[ . 1 .]" 1
444 1 18 ASN HA 1 21 ASN H 2.800 . 3.800 3.783 3.587 3.910 0.110 6 0 "[ . 1 .]" 1
445 1 20 GLY HA2 1 21 ASN H 2.400 . 6.000 3.542 3.495 3.595 . 0 0 "[ . 1 .]" 1
446 1 20 GLY HA3 1 21 ASN H 3.600 . 5.300 2.855 2.694 3.000 . 0 0 "[ . 1 .]" 1
447 1 21 ASN HA 1 22 ARG H 3.200 . 4.500 3.378 3.347 3.403 . 0 0 "[ . 1 .]" 1
448 1 19 LEU HA 1 22 ARG H 4.300 . 6.000 3.281 3.061 3.517 . 0 0 "[ . 1 .]" 1
449 1 21 ASN HB3 1 22 ARG H 2.900 . 6.000 3.334 3.181 3.654 . 0 0 "[ . 1 .]" 1
450 1 21 ASN HB2 1 22 ARG H 3.500 . 5.100 4.080 3.843 4.453 . 0 0 "[ . 1 .]" 1
451 1 21 ASN HA 1 23 MET H 2.800 . 3.700 3.573 3.499 3.645 . 0 0 "[ . 1 .]" 1
452 1 19 LEU H 1 20 GLY H 2.700 . 3.600 2.623 2.498 2.781 . 0 0 "[ . 1 .]" 1
453 1 20 GLY H 1 21 ASN H 3.600 . 5.200 2.756 2.685 2.849 . 0 0 "[ . 1 .]" 1
454 1 20 GLY H 1 22 ARG H 2.200 . 6.000 3.830 3.629 3.920 . 0 0 "[ . 1 .]" 1
455 1 21 ASN H 1 22 ARG H 4.200 . 6.000 2.337 2.140 2.560 . 0 0 "[ . 1 .]" 1
456 1 21 ASN H 1 23 MET H 1.900 . 6.000 3.913 3.714 4.083 . 0 0 "[ . 1 .]" 1
457 1 22 ARG H 1 23 MET H 2.400 . 3.100 2.295 2.238 2.349 . 0 0 "[ . 1 .]" 1
458 1 23 MET H 1 24 VAL H 3.800 . 5.600 4.429 2.718 4.583 . 0 0 "[ . 1 .]" 1
459 1 21 ASN H 1 22 ARG HB3 1.600 . 6.000 4.901 4.131 5.318 . 0 0 "[ . 1 .]" 1
460 1 23 MET QG 1 24 VAL H 2.600 . 3.400 2.680 2.175 3.292 . 0 0 "[ . 1 .]" 1
461 1 23 MET HB3 1 24 VAL H 2.200 . 6.000 3.140 2.465 4.002 . 0 0 "[ . 1 .]" 1
462 1 23 MET HA 1 24 VAL H 3.400 . 4.800 2.420 2.199 3.539 . 0 0 "[ . 1 .]" 1
463 1 20 GLY HA2 1 23 MET H 2.800 . 6.000 3.841 3.607 4.074 . 0 0 "[ . 1 .]" 1
464 1 26 PRO HB3 1 27 VAL H 5.000 . 6.000 3.521 3.211 3.867 . 0 0 "[ . 1 .]" 1
465 1 27 VAL H 1 28 GLY HA2 3.800 . 5.600 4.901 4.571 5.284 . 0 0 "[ . 1 .]" 1
466 1 26 PRO HD3 1 27 VAL H 2.500 . 6.000 5.582 5.377 5.699 . 0 0 "[ . 1 .]" 1
467 1 19 LEU H 1 21 ASN H 2.700 . 6.000 4.318 4.132 4.513 . 0 0 "[ . 1 .]" 1
468 1 29 ASN H 1 30 PHE H 3.700 . 5.400 3.514 3.023 3.888 . 0 0 "[ . 1 .]" 1
469 1 28 GLY HA2 1 30 PHE H 1.700 . 6.000 4.736 3.938 5.296 . 0 0 "[ . 1 .]" 1
470 1 29 ASN HA 1 30 PHE H 5.100 . 6.000 2.342 2.168 2.621 . 0 0 "[ . 1 .]" 1
471 1 28 GLY HA3 1 30 PHE H 3.100 . 6.000 5.118 4.654 5.519 . 0 0 "[ . 1 .]" 1
472 1 29 ASN HB3 1 30 PHE H 2.700 . 6.000 4.418 4.201 4.622 . 0 0 "[ . 1 .]" 1
473 1 27 VAL MG1 1 30 PHE H 2.900 . 4.000 3.800 3.293 4.026 0.026 4 0 "[ . 1 .]" 1
474 1 30 PHE H 1 31 MET H 2.600 . 3.500 3.034 2.665 3.526 0.026 3 0 "[ . 1 .]" 1
475 1 16 SER HB2 1 31 MET H 4.600 . 6.000 4.021 3.086 4.679 . 0 0 "[ . 1 .]" 1
476 1 16 SER HB3 1 31 MET H 3.000 . 6.000 3.119 2.219 4.282 . 0 0 "[ . 1 .]" 1
477 1 30 PHE HA 1 31 MET H 3.000 . 4.100 3.540 3.479 3.567 . 0 0 "[ . 1 .]" 1
478 1 30 PHE HB2 1 31 MET H 4.700 . 6.000 3.598 3.319 3.945 . 0 0 "[ . 1 .]" 1
479 1 31 MET H 1 31 MET ME 6.000 . 6.000 5.111 4.670 5.359 . 0 0 "[ . 1 .]" 1
480 1 30 PHE HB3 1 31 MET H 4.200 . 6.000 2.170 1.707 2.692 . 0 0 "[ . 1 .]" 1
481 1 32 PRO HA 1 33 ASP H 5.100 . 6.000 2.185 2.129 2.209 . 0 0 "[ . 1 .]" 1
482 1 33 ASP HB2 1 34 SER H 3.200 . 4.500 3.855 3.450 4.156 . 0 0 "[ . 1 .]" 1
483 1 33 ASP HB3 1 34 SER H 6.000 . 6.000 2.817 2.468 3.798 . 0 0 "[ . 1 .]" 1
484 1 12 LEU MD2 1 31 MET H 2.500 . 6.000 6.160 6.109 6.223 0.223 11 0 "[ . 1 .]" 1
485 1 35 ILE H 1 36 LEU HB2 6.000 . 6.000 4.746 4.549 4.831 . 0 0 "[ . 1 .]" 1
486 1 33 ASP HB2 1 35 ILE H 3.000 . 6.000 5.960 5.632 6.198 0.198 9 0 "[ . 1 .]" 1
487 1 35 ILE H 1 36 LEU HA 2.600 . 6.000 5.191 5.083 5.270 . 0 0 "[ . 1 .]" 1
488 1 35 ILE H 1 36 LEU HG 2.900 . 6.000 4.415 4.224 4.591 . 0 0 "[ . 1 .]" 1
489 1 33 ASP HA 1 35 ILE H 2.100 . 6.000 4.560 4.328 4.777 . 0 0 "[ . 1 .]" 1
490 1 35 ILE H 1 37 LYS H 2.300 . 6.000 4.103 3.962 4.198 . 0 0 "[ . 1 .]" 1
491 1 34 SER H 1 35 ILE H 3.800 . 5.600 2.731 2.669 2.852 . 0 0 "[ . 1 .]" 1
492 1 33 ASP HA 1 36 LEU H 3.000 . 4.100 3.482 3.256 3.703 . 0 0 "[ . 1 .]" 1
493 1 35 ILE HA 1 36 LEU H 2.400 . 6.000 3.527 3.506 3.543 . 0 0 "[ . 1 .]" 1
494 1 36 LEU H 1 37 LYS H 2.700 . 3.600 2.647 2.597 2.705 . 0 0 "[ . 1 .]" 1
495 1 35 ILE H 1 36 LEU H 3.200 . 4.500 2.574 2.440 2.669 . 0 0 "[ . 1 .]" 1
496 1 36 LEU HA 1 37 LYS H 3.700 . 5.400 3.516 3.499 3.544 . 0 0 "[ . 1 .]" 1
497 1 33 ASP HA 1 37 LYS H 2.000 . 6.000 4.221 3.983 4.397 . 0 0 "[ . 1 .]" 1
498 1 9 TYR QR 1 37 LYS H 2.900 . 3.900 3.161 2.866 3.426 . 0 0 "[ . 1 .]" 1
499 1 36 LEU HA 1 38 LYS H 2.600 . 6.000 4.783 4.634 4.980 . 0 0 "[ . 1 .]" 1
500 1 37 LYS HA 1 38 LYS H 2.000 . 6.000 3.583 3.562 3.601 . 0 0 "[ . 1 .]" 1
501 1 37 LYS H 1 38 LYS H 2.600 . 3.400 2.735 2.650 2.807 . 0 0 "[ . 1 .]" 1
502 1 38 LYS HG2 1 39 MET H 3.000 . 4.200 3.170 2.511 3.922 . 0 0 "[ . 1 .]" 1
503 1 38 LYS HG3 1 39 MET H 6.000 . 6.000 2.255 2.044 2.598 . 0 0 "[ . 1 .]" 1
504 1 37 LYS HA 1 39 MET H 2.800 . 6.000 4.577 4.456 4.680 . 0 0 "[ . 1 .]" 1
505 1 36 LEU HA 1 39 MET H 3.000 . 4.100 3.843 3.692 3.987 . 0 0 "[ . 1 .]" 1
506 1 38 LYS HA 1 39 MET H 2.400 . 6.000 3.522 3.504 3.547 . 0 0 "[ . 1 .]" 1
507 1 38 LYS H 1 39 MET H 2.600 . 3.400 2.604 2.516 2.701 . 0 0 "[ . 1 .]" 1
508 1 39 MET H 1 40 ALA H 2.500 . 3.300 2.581 2.526 2.628 . 0 0 "[ . 1 .]" 1
509 1 40 ALA H 1 41 ALA H 2.400 . 3.100 2.420 2.355 2.511 . 0 0 "[ . 1 .]" 1
510 1 41 ALA H 1 42 ILE H 2.400 . 3.100 2.483 2.417 2.530 . 0 0 "[ . 1 .]" 1
511 1 41 ALA H 1 43 LEU H 3.300 . 4.600 3.782 3.671 3.959 . 0 0 "[ . 1 .]" 1
512 1 40 ALA HA 1 41 ALA H 2.600 . 6.000 3.490 3.474 3.523 . 0 0 "[ . 1 .]" 1
513 1 40 ALA MB 1 41 ALA H 6.000 . 6.000 2.835 2.730 2.906 . 0 0 "[ . 1 .]" 1
514 1 5 LEU QD 1 41 ALA H 3.000 . 4.200 3.164 2.871 3.616 . 0 0 "[ . 1 .]" 1
515 1 41 ALA H 1 42 ILE MG 2.400 . 6.000 5.635 5.519 5.674 . 0 0 "[ . 1 .]" 1
516 1 39 MET H 1 53 LEU MD1 3.400 . 4.800 3.655 3.387 3.906 . 0 0 "[ . 1 .]" 1
517 1 36 LEU HA 1 40 ALA H 3.300 . 4.700 4.079 3.970 4.155 . 0 0 "[ . 1 .]" 1
518 1 38 LYS HA 1 40 ALA H 3.000 . 4.100 4.125 4.059 4.147 0.047 13 0 "[ . 1 .]" 1
519 1 39 MET HA 1 40 ALA H 3.100 . 4.300 3.489 3.474 3.500 . 0 0 "[ . 1 .]" 1
520 1 39 MET HG2 1 40 ALA H 2.600 . 3.400 3.049 2.380 3.393 . 0 0 "[ . 1 .]" 1
521 1 39 MET HG3 1 40 ALA H 2.200 . 6.000 3.237 2.689 4.113 . 0 0 "[ . 1 .]" 1
522 1 12 LEU MD1 1 40 ALA H 2.600 . 3.400 3.379 3.269 3.513 0.113 6 0 "[ . 1 .]" 1
523 1 41 ALA HA 1 42 ILE H 3.100 . 4.300 3.543 3.507 3.560 . 0 0 "[ . 1 .]" 1
524 1 39 MET HA 1 42 ILE H 2.000 . 6.000 3.596 3.500 3.784 . 0 0 "[ . 1 .]" 1
525 1 42 ILE H 1 43 LEU H 2.600 . 3.400 2.304 2.172 2.424 . 0 0 "[ . 1 .]" 1
526 1 41 ALA MB 1 42 ILE H 2.500 . 3.300 2.647 2.505 2.778 . 0 0 "[ . 1 .]" 1
527 1 42 ILE HG13 1 43 LEU H 3.200 . 6.000 4.866 4.775 5.004 . 0 0 "[ . 1 .]" 1
528 1 42 ILE MD 1 43 LEU H 3.700 . 5.500 4.125 3.953 4.267 . 0 0 "[ . 1 .]" 1
529 1 41 ALA MB 1 43 LEU H 2.100 . 6.000 4.463 4.392 4.514 . 0 0 "[ . 1 .]" 1
530 1 42 ILE HB 1 43 LEU H 3.800 . 5.600 2.831 2.683 2.918 . 0 0 "[ . 1 .]" 1
531 1 44 PRO HB3 1 45 MET H 2.200 . 6.000 4.019 3.777 4.239 . 0 0 "[ . 1 .]" 1
532 1 44 PRO HA 1 45 MET H 3.600 . 5.200 2.162 2.118 2.217 . 0 0 "[ . 1 .]" 1
533 1 45 MET H 1 46 ASN H 3.400 . 4.800 2.483 2.207 2.818 . 0 0 "[ . 1 .]" 1
534 1 44 PRO HA 1 46 ASN H 4.100 . 6.000 3.502 3.207 3.995 . 0 0 "[ . 1 .]" 1
535 1 45 MET HA 1 46 ASN H 3.100 . 4.300 3.375 2.915 3.545 . 0 0 "[ . 1 .]" 1
536 1 45 MET HG2 1 46 ASN H 3.200 . 6.000 4.888 2.919 5.202 . 0 0 "[ . 1 .]" 1
537 1 45 MET HB2 1 46 ASN H 3.300 . 4.700 3.439 2.889 4.452 . 0 0 "[ . 1 .]" 1
538 1 45 MET HB3 1 46 ASN H 6.000 . 6.000 3.678 2.638 4.300 . 0 0 "[ . 1 .]" 1
539 1 44 PRO HB3 1 46 ASN H 6.000 . 6.000 4.085 3.614 5.149 . 0 0 "[ . 1 .]" 1
540 1 46 ASN H 1 50 PHE QD 1.500 . 6.000 5.343 4.587 6.004 0.004 9 0 "[ . 1 .]" 1
541 1 48 SER H 1 49 ALA H 4.500 . 6.000 2.671 2.450 3.479 . 0 0 "[ . 1 .]" 1
542 1 49 ALA H 1 51 ALA H 2.400 . 6.000 4.174 3.866 4.503 . 0 0 "[ . 1 .]" 1
543 1 46 ASN H 1 49 ALA H 3.200 . 4.500 3.809 3.237 4.607 0.107 7 0 "[ . 1 .]" 1
544 1 44 PRO HA 1 49 ALA H 2.600 . 6.000 5.199 4.737 5.678 . 0 0 "[ . 1 .]" 1
545 1 48 SER HB3 1 49 ALA H 2.300 . 6.000 4.087 3.822 4.345 . 0 0 "[ . 1 .]" 1
546 1 47 ASP HA 1 49 ALA H 2.400 . 6.000 4.191 3.713 4.580 . 0 0 "[ . 1 .]" 1
547 1 49 ALA HA 1 50 PHE H 3.100 . 4.300 3.453 3.421 3.493 . 0 0 "[ . 1 .]" 1
548 1 47 ASP HA 1 50 PHE H 2.700 . 3.600 3.237 2.885 3.449 . 0 0 "[ . 1 .]" 1
549 1 50 PHE H 1 51 ALA H 2.600 . 3.400 2.699 2.544 2.877 . 0 0 "[ . 1 .]" 1
550 1 50 PHE H 1 50 PHE QD 3.700 . 5.400 3.544 3.332 3.757 . 0 0 "[ . 1 .]" 1
551 1 50 PHE QD 1 51 ALA H 2.200 . 6.000 4.706 4.659 4.792 . 0 0 "[ . 1 .]" 1
552 1 47 ASP HA 1 51 ALA H 2.800 . 6.000 5.031 4.324 5.533 . 0 0 "[ . 1 .]" 1
553 1 50 PHE HA 1 51 ALA H 2.100 . 6.000 3.456 3.436 3.489 . 0 0 "[ . 1 .]" 1
554 1 50 PHE HB2 1 51 ALA H 4.400 . 6.000 3.254 3.157 3.348 . 0 0 "[ . 1 .]" 1
555 1 50 PHE HB3 1 51 ALA H 2.700 . 6.000 3.583 3.374 3.738 . 0 0 "[ . 1 .]" 1
556 1 51 ALA H 1 51 ALA MB 4.700 . 6.000 2.105 2.007 2.244 . 0 0 "[ . 1 .]" 1
557 1 49 ALA MB 1 51 ALA H 1.900 . 6.000 4.385 4.316 4.475 . 0 0 "[ . 1 .]" 1
558 1 51 ALA MB 1 52 THR H 2.900 . 4.000 2.943 2.858 3.001 . 0 0 "[ . 1 .]" 1
559 1 52 THR H 1 53 LEU HB2 3.900 . 5.800 4.629 4.415 5.098 . 0 0 "[ . 1 .]" 1
560 1 51 ALA H 1 52 THR H 2.700 . 3.600 2.693 2.545 2.807 . 0 0 "[ . 1 .]" 1
561 1 50 PHE HA 1 53 LEU H 3.600 . 5.300 3.614 3.129 3.828 . 0 0 "[ . 1 .]" 1
562 1 53 LEU H 1 54 GLY HA2 1.600 . 6.000 4.801 4.456 4.986 . 0 0 "[ . 1 .]" 1
563 1 53 LEU H 1 54 GLY H 3.300 . 4.700 2.452 2.224 2.774 . 0 0 "[ . 1 .]" 1
564 1 53 LEU HA 1 54 GLY H 2.400 . 6.000 3.312 3.044 3.474 . 0 0 "[ . 1 .]" 1
565 1 53 LEU HB2 1 54 GLY H 4.700 . 6.000 3.321 2.726 3.937 . 0 0 "[ . 1 .]" 1
566 1 53 LEU HB3 1 54 GLY H 2.000 . 6.000 3.960 3.413 4.391 . 0 0 "[ . 1 .]" 1
567 1 55 THR MG 1 56 VAL H 2.400 . 6.000 3.960 3.389 4.421 . 0 0 "[ . 1 .]" 1
568 1 55 THR HA 1 56 VAL H 2.200 . 2.800 2.392 2.171 2.904 0.104 14 0 "[ . 1 .]" 1
569 1 55 THR HB 1 56 VAL H 3.700 . 5.400 4.149 3.783 4.289 . 0 0 "[ . 1 .]" 1
570 1 56 VAL MG1 1 57 GLU H 1.800 . 6.000 3.779 3.448 4.105 . 0 0 "[ . 1 .]" 1
571 1 56 VAL HA 1 57 GLU H 3.300 . 4.700 2.156 2.102 2.265 . 0 0 "[ . 1 .]" 1
572 1 56 VAL H 1 57 GLU H 3.200 . 6.000 4.471 3.986 4.626 . 0 0 "[ . 1 .]" 1
573 1 57 GLU H 1 60 TYR QD 6.000 . 6.000 2.333 1.377 3.251 . 0 0 "[ . 1 .]" 1
574 1 57 GLU H 1 60 TYR H 6.000 . 6.000 4.009 3.435 4.318 . 0 0 "[ . 1 .]" 1
575 1 55 THR H 1 56 VAL H 3.300 . 4.600 3.473 3.173 3.927 . 0 0 "[ . 1 .]" 1
576 1 58 ASP H 1 59 LYS H 5.700 . 6.000 2.681 2.527 2.806 . 0 0 "[ . 1 .]" 1
577 1 59 LYS H 1 60 TYR H 2.700 . 3.600 2.578 2.433 2.679 . 0 0 "[ . 1 .]" 1
578 1 59 LYS HA 1 60 TYR H 2.300 . 6.000 3.472 3.449 3.508 . 0 0 "[ . 1 .]" 1
579 1 57 GLU HA 1 60 TYR H 3.000 . 6.000 4.462 4.181 4.654 . 0 0 "[ . 1 .]" 1
580 1 60 TYR H 1 60 TYR QD 2.800 . 3.800 2.703 1.991 3.485 . 0 0 "[ . 1 .]" 1
581 1 60 TYR H 1 61 ARG H 2.200 . 2.800 2.308 2.109 2.427 . 0 0 "[ . 1 .]" 1
582 1 60 TYR H 1 62 ARG H 3.400 . 4.800 3.836 3.697 3.982 . 0 0 "[ . 1 .]" 1
583 1 57 GLU HB3 1 59 LYS H 4.600 . 6.000 2.524 2.314 3.221 . 0 0 "[ . 1 .]" 1
584 1 57 GLU HB2 1 59 LYS H 2.900 . 6.000 3.986 3.372 4.582 . 0 0 "[ . 1 .]" 1
585 1 58 ASP HB2 1 59 LYS H 3.300 . 4.600 3.842 3.417 4.204 . 0 0 "[ . 1 .]" 1
586 1 58 ASP HB3 1 59 LYS H 3.000 . 4.100 2.842 2.626 3.140 . 0 0 "[ . 1 .]" 1
587 1 58 ASP HA 1 59 LYS H 3.400 . 4.800 3.514 3.488 3.554 . 0 0 "[ . 1 .]" 1
588 1 57 GLU HB2 1 60 TYR H 3.900 . 5.800 3.550 3.110 4.188 . 0 0 "[ . 1 .]" 1
589 1 57 GLU HB3 1 60 TYR H 3.500 . 5.100 2.952 2.002 3.619 . 0 0 "[ . 1 .]" 1
590 1 59 LYS HB3 1 60 TYR H 3.500 . 5.000 4.032 3.697 4.170 . 0 0 "[ . 1 .]" 1
591 1 59 LYS QD 1 60 TYR H 2.900 . 6.000 3.959 3.426 4.511 . 0 0 "[ . 1 .]" 1
592 1 59 LYS HG2 1 60 TYR H 4.000 . 6.000 2.335 2.077 2.645 . 0 0 "[ . 1 .]" 1
593 1 56 VAL MG2 1 61 ARG H 3.100 . 4.300 4.158 3.851 4.364 0.064 1 0 "[ . 1 .]" 1
594 1 60 TYR HB2 1 61 ARG H 2.100 . 6.000 2.780 2.655 2.898 . 0 0 "[ . 1 .]" 1
595 1 58 ASP HA 1 61 ARG H 3.700 . 5.400 3.175 2.975 3.508 . 0 0 "[ . 1 .]" 1
596 1 60 TYR HA 1 61 ARG H 2.300 . 6.000 3.489 3.446 3.522 . 0 0 "[ . 1 .]" 1
597 1 60 TYR QD 1 61 ARG H 3.200 . 6.000 4.309 4.099 4.575 . 0 0 "[ . 1 .]" 1
598 1 59 LYS HA 1 62 ARG H 2.800 . 3.800 3.480 3.152 3.827 0.027 5 0 "[ . 1 .]" 1
599 1 58 ASP HA 1 62 ARG H 3.200 . 4.500 4.197 3.839 4.514 0.014 4 0 "[ . 1 .]" 1
600 1 61 ARG H 1 62 ARG H 3.000 . 4.100 2.565 2.446 2.672 . 0 0 "[ . 1 .]" 1
601 1 62 ARG H 1 63 ARG H 1.700 . 6.000 2.919 2.589 3.169 . 0 0 "[ . 1 .]" 1
602 1 62 ARG HB2 1 63 ARG H 3.500 . 5.000 2.806 2.018 4.259 . 0 0 "[ . 1 .]" 1
603 1 63 ARG H 1 63 ARG QD 6.000 . 6.000 2.285 1.844 2.705 . 0 0 "[ . 1 .]" 1
604 1 60 TYR HA 1 63 ARG H 6.000 . 6.000 3.793 3.434 4.232 . 0 0 "[ . 1 .]" 1
605 1 62 ARG HA 1 63 ARG H 6.000 . 6.000 3.565 3.531 3.600 . 0 0 "[ . 1 .]" 1
606 1 62 ARG QD 1 63 ARG H 6.000 . 6.000 3.991 2.984 4.853 . 0 0 "[ . 1 .]" 1
607 1 60 TYR H 1 63 ARG H 2.700 . 6.000 5.245 4.746 5.485 . 0 0 "[ . 1 .]" 1
608 1 61 ARG H 1 63 ARG H 2.300 . 6.000 4.628 4.138 5.091 . 0 0 "[ . 1 .]" 1
609 1 31 MET ME 1 64 PHE H 2.500 . 6.000 3.929 3.240 4.412 . 0 0 "[ . 1 .]" 1
610 1 63 ARG HB3 1 64 PHE H 4.700 . 6.000 4.070 3.965 4.277 . 0 0 "[ . 1 .]" 1
611 1 62 ARG HG2 1 64 PHE H 2.300 . 6.000 5.749 4.509 6.523 0.523 2 1 "[ + . 1 .]" 1
612 1 63 ARG HG2 1 64 PHE H 3.600 . 5.200 3.782 3.071 5.638 0.438 5 0 "[ . 1 .]" 1
613 1 62 ARG QD 1 64 PHE H 1.400 . 6.000 5.666 4.822 5.909 . 0 0 "[ . 1 .]" 1
614 1 62 ARG HA 1 64 PHE H 3.200 . 4.500 3.850 3.694 3.975 . 0 0 "[ . 1 .]" 1
615 1 63 ARG HA 1 64 PHE H 3.900 . 5.800 3.267 3.207 3.311 . 0 0 "[ . 1 .]" 1
616 1 64 PHE H 1 65 LYS H 3.500 . 5.000 2.585 2.426 2.695 . 0 0 "[ . 1 .]" 1
617 1 62 ARG H 1 64 PHE H 3.300 . 4.600 3.670 3.558 3.768 . 0 0 "[ . 1 .]" 1
618 1 64 PHE H 1 64 PHE QD 1.800 . 6.000 3.853 3.703 3.964 . 0 0 "[ . 1 .]" 1
619 1 64 PHE HB2 1 65 LYS H 2.500 . 6.000 3.254 3.031 3.421 . 0 0 "[ . 1 .]" 1
620 1 64 PHE HA 1 65 LYS H 4.700 . 6.000 3.488 3.450 3.516 . 0 0 "[ . 1 .]" 1
621 1 64 PHE QD 1 65 LYS H 2.400 . 6.000 4.569 4.451 4.668 . 0 0 "[ . 1 .]" 1
622 1 65 LYS HB3 1 66 TYR H 2.300 . 6.000 4.178 4.012 4.352 . 0 0 "[ . 1 .]" 1
623 1 65 LYS HD2 1 66 TYR H 2.600 . 6.000 4.683 3.275 5.309 . 0 0 "[ . 1 .]" 1
624 1 65 LYS HG2 1 66 TYR H 4.400 . 6.000 3.200 2.653 4.263 . 0 0 "[ . 1 .]" 1
625 1 65 LYS HG3 1 66 TYR H 3.200 . 4.500 2.721 2.269 3.114 . 0 0 "[ . 1 .]" 1
626 1 65 LYS HA 1 66 TYR H 2.700 . 3.600 3.477 3.446 3.505 . 0 0 "[ . 1 .]" 1
627 1 66 TYR H 1 68 LYS H 1.900 . 6.000 3.894 3.749 4.040 . 0 0 "[ . 1 .]" 1
628 1 66 TYR H 1 66 TYR QD 2.700 . 3.600 2.969 2.491 3.255 . 0 0 "[ . 1 .]" 1
629 1 65 LYS H 1 66 TYR H 2.400 . 3.100 2.738 2.557 2.853 . 0 0 "[ . 1 .]" 1
630 1 66 TYR H 1 67 PHE H 2.600 . 3.400 2.445 2.332 2.525 . 0 0 "[ . 1 .]" 1
631 1 39 MET HA 1 43 LEU H 1.800 . 6.000 3.184 3.024 3.346 . 0 0 "[ . 1 .]" 1
632 1 67 PHE H 1 68 LYS H 2.500 . 3.300 1.990 1.882 2.077 . 0 0 "[ . 1 .]" 1
633 1 67 PHE HA 1 68 LYS H 2.200 . 6.000 3.398 3.348 3.438 . 0 0 "[ . 1 .]" 1
634 1 66 TYR HB3 1 68 LYS H 1.700 . 6.000 5.632 5.458 5.821 . 0 0 "[ . 1 .]" 1
635 1 69 ALA H 1 69 ALA MB 3.600 . 5.200 2.189 2.086 2.268 . 0 0 "[ . 1 .]" 1
636 1 69 ALA H 1 70 THR H 3.200 . 4.500 2.487 2.317 2.631 . 0 0 "[ . 1 .]" 1
637 1 68 LYS H 1 69 ALA H 6.000 . 6.000 2.875 2.734 3.026 . 0 0 "[ . 1 .]" 1
638 1 70 THR H 1 73 ASP H 2.200 . 6.000 4.685 4.564 4.829 . 0 0 "[ . 1 .]" 1
639 1 69 ALA HA 1 70 THR H 4.100 . 6.000 3.490 3.469 3.526 . 0 0 "[ . 1 .]" 1
640 1 69 ALA MB 1 70 THR H 5.400 . 6.000 2.736 2.648 2.809 . 0 0 "[ . 1 .]" 1
641 1 70 THR H 1 71 ILE HB 4.500 . 6.000 4.763 4.518 5.002 . 0 0 "[ . 1 .]" 1
642 1 70 THR H 1 71 ILE MD 6.000 . 6.000 4.764 4.544 5.221 . 0 0 "[ . 1 .]" 1
643 1 70 THR H 1 71 ILE MG 6.000 . 6.000 5.758 5.654 5.856 . 0 0 "[ . 1 .]" 1
644 1 70 THR MG 1 71 ILE H 3.700 . 5.500 3.962 3.808 4.097 . 0 0 "[ . 1 .]" 1
645 1 68 LYS HA 1 71 ILE H 2.200 . 6.000 3.492 3.280 3.714 . 0 0 "[ . 1 .]" 1
646 1 70 THR HB 1 71 ILE H 2.200 . 6.000 2.617 2.348 2.737 . 0 0 "[ . 1 .]" 1
647 1 69 ALA HA 1 71 ILE H 3.400 . 4.800 4.746 4.632 4.826 0.026 15 0 "[ . 1 .]" 1
648 1 70 THR H 1 71 ILE H 4.200 . 6.000 2.475 2.349 2.594 . 0 0 "[ . 1 .]" 1
649 1 72 ALA H 1 72 ALA MB 2.600 . 3.400 2.129 2.017 2.267 . 0 0 "[ . 1 .]" 1
650 1 71 ILE MD 1 72 ALA H 4.200 . 6.000 4.444 4.177 4.715 . 0 0 "[ . 1 .]" 1
651 1 71 ILE MG 1 72 ALA H 3.900 . 5.800 3.658 3.402 3.934 . 0 0 "[ . 1 .]" 1
652 1 71 ILE HB 1 72 ALA H 3.800 . 5.600 2.693 2.430 3.025 . 0 0 "[ . 1 .]" 1
653 1 72 ALA H 1 73 ASP HA 2.500 . 6.000 5.222 5.091 5.369 . 0 0 "[ . 1 .]" 1
654 1 70 THR HB 1 72 ALA H 6.000 . 6.000 4.957 4.744 5.153 . 0 0 "[ . 1 .]" 1
655 1 68 LYS HA 1 72 ALA H 6.000 . 6.000 3.814 3.538 4.193 . 0 0 "[ . 1 .]" 1
656 1 71 ILE HA 1 72 ALA H 6.000 . 6.000 3.524 3.472 3.549 . 0 0 "[ . 1 .]" 1
657 1 72 ALA H 1 73 ASP QB 1.900 . 6.000 4.332 4.186 4.510 . 0 0 "[ . 1 .]" 1
658 1 71 ILE H 1 72 ALA H 6.000 . 6.000 2.698 2.624 2.767 . 0 0 "[ . 1 .]" 1
659 1 72 ALA H 1 73 ASP H 6.000 . 6.000 2.591 2.433 2.768 . 0 0 "[ . 1 .]" 1
660 1 72 ALA MB 1 73 ASP H 2.200 . 2.800 2.656 2.438 2.886 0.086 15 0 "[ . 1 .]" 1
661 1 72 ALA HA 1 73 ASP H 2.200 . 6.000 3.518 3.446 3.556 . 0 0 "[ . 1 .]" 1
662 1 70 THR HA 1 73 ASP H 3.200 . 4.500 3.393 3.231 3.600 . 0 0 "[ . 1 .]" 1
663 1 73 ASP H 1 74 LEU H 6.000 . 6.000 2.598 2.275 2.835 . 0 0 "[ . 1 .]" 1
664 1 73 ASP H 1 75 SER H 6.000 . 6.000 3.962 3.844 4.114 . 0 0 "[ . 1 .]" 1
665 1 3 ASN H 1 3 ASN HD22 1.500 . 6.000 5.113 3.328 5.872 . 0 0 "[ . 1 .]" 1
666 1 74 LEU H 1 75 SER H 3.400 . 4.900 2.668 2.586 2.772 . 0 0 "[ . 1 .]" 1
667 1 75 SER H 1 76 LYS H 3.100 . 4.300 2.455 2.342 2.562 . 0 0 "[ . 1 .]" 1
668 1 73 ASP HA 1 74 LEU H 4.300 . 6.000 3.546 3.517 3.569 . 0 0 "[ . 1 .]" 1
669 1 71 ILE HA 1 74 LEU H 2.700 . 6.000 3.617 3.233 3.893 . 0 0 "[ . 1 .]" 1
670 1 73 ASP QB 1 74 LEU H 3.400 . 4.800 2.558 2.299 2.915 . 0 0 "[ . 1 .]" 1
671 1 71 ILE HA 1 75 SER H 4.200 . 6.000 4.180 3.939 4.571 . 0 0 "[ . 1 .]" 1
672 1 74 LEU HB2 1 75 SER H 6.000 . 6.000 2.945 2.866 3.013 . 0 0 "[ . 1 .]" 1
673 1 74 LEU HB3 1 75 SER H 6.000 . 6.000 3.807 3.563 3.923 . 0 0 "[ . 1 .]" 1
674 1 74 LEU MD2 1 75 SER H 3.700 . 5.400 4.918 4.809 4.980 . 0 0 "[ . 1 .]" 1
675 1 73 ASP HA 1 76 LYS H 3.200 . 4.400 3.502 3.196 3.830 . 0 0 "[ . 1 .]" 1
676 1 75 SER HB2 1 76 LYS H 1.600 . 6.000 3.656 3.363 3.895 . 0 0 "[ . 1 .]" 1
677 1 41 ALA H 1 41 ALA MB 4.100 . 6.000 2.138 2.041 2.277 . 0 0 "[ . 1 .]" 1
678 1 61 ARG H 1 61 ARG HB2 3.500 . 5.000 2.255 2.043 2.608 . 0 0 "[ . 1 .]" 1
679 1 5 LEU MD2 1 6 ARG H 2.500 . 6.000 4.139 3.845 4.291 . 0 0 "[ . 1 .]" 1
680 1 5 LEU MD2 1 8 THR H 3.800 . 5.600 4.784 4.500 4.996 . 0 0 "[ . 1 .]" 1
681 1 7 MET HA 1 10 GLU H 2.900 . 4.000 3.469 3.232 3.682 . 0 0 "[ . 1 .]" 1
682 1 5 LEU HA 1 8 THR H 2.200 . 6.000 3.262 3.108 3.536 . 0 0 "[ . 1 .]" 1
683 1 20 GLY HA3 1 23 MET H 2.900 . 6.000 4.832 4.581 5.081 . 0 0 "[ . 1 .]" 1
684 1 26 PRO HB2 1 27 VAL H 3.300 . 4.700 3.850 3.540 4.121 . 0 0 "[ . 1 .]" 1
685 1 26 PRO HA 1 27 VAL H 4.800 . 6.000 2.121 2.072 2.165 . 0 0 "[ . 1 .]" 1
686 1 21 ASN HA 1 27 VAL H 2.600 . 6.000 3.914 3.589 4.208 . 0 0 "[ . 1 .]" 1
687 1 23 MET H 1 27 VAL H 5.100 . 6.000 4.028 3.740 4.269 . 0 0 "[ . 1 .]" 1
688 1 66 TYR HB3 1 67 PHE H 2.900 . 3.900 4.161 3.972 4.271 0.371 6 0 "[ . 1 .]" 1
689 1 49 ALA MB 1 50 PHE H 3.800 . 5.600 2.854 2.730 2.957 . 0 0 "[ . 1 .]" 1
690 1 56 VAL MG1 1 61 ARG H 1.700 . 6.000 5.304 4.968 5.564 . 0 0 "[ . 1 .]" 1
691 1 67 PHE H 1 67 PHE QD 2.700 . 6.000 3.865 3.702 3.981 . 0 0 "[ . 1 .]" 1
692 1 28 GLY HA3 1 29 ASN H 5.400 . 6.000 2.624 2.335 3.013 . 0 0 "[ . 1 .]" 1
693 1 40 ALA HA 1 43 LEU H 3.500 . 5.100 3.921 3.721 4.090 . 0 0 "[ . 1 .]" 1
694 1 78 ARG HA 1 79 SER H 5.200 . 6.000 2.999 2.092 3.575 . 0 0 "[ . 1 .]" 1
695 1 78 ARG HB3 1 79 SER H 2.600 . 6.000 3.628 2.415 4.281 . 0 0 "[ . 1 .]" 1
696 1 77 LYS HA 1 80 SER H 6.000 . 6.000 4.399 3.222 6.069 0.069 14 0 "[ . 1 .]" 1
697 1 78 ARG HA 1 81 GLU H 6.000 . 6.000 5.149 3.344 6.058 0.058 3 0 "[ . 1 .]" 1
698 1 80 SER HA 1 81 GLU H 6.000 . 6.000 3.011 2.161 3.565 . 0 0 "[ . 1 .]" 1
699 1 46 ASN H 1 50 PHE QE 2.600 . 6.000 5.557 4.827 6.037 0.037 9 0 "[ . 1 .]" 1
700 1 17 LEU H 1 18 ASN HD21 2.700 . 6.000 5.681 4.499 6.058 0.058 7 0 "[ . 1 .]" 1
701 1 53 LEU MD1 1 54 GLY H 2.400 . 6.000 5.155 4.649 5.519 . 0 0 "[ . 1 .]" 1
702 1 29 ASN HA 1 31 MET H 1.500 . 6.000 4.035 3.382 4.878 . 0 0 "[ . 1 .]" 1
703 1 66 TYR HB2 1 67 PHE H 3.300 . 4.600 3.378 3.304 3.464 . 0 0 "[ . 1 .]" 1
704 1 67 PHE H 1 67 PHE HB2 3.700 . 5.400 2.293 2.181 2.355 . 0 0 "[ . 1 .]" 1
705 1 36 LEU MD1 1 37 LYS H 2.100 . 6.000 4.470 4.396 4.549 . 0 0 "[ . 1 .]" 1
706 1 36 LEU MD2 1 37 LYS H 6.000 . 6.000 4.798 4.728 4.854 . 0 0 "[ . 1 .]" 1
707 1 36 LEU HG 1 37 LYS H 6.000 . 6.000 4.455 4.355 4.538 . 0 0 "[ . 1 .]" 1
708 1 35 ILE HB 1 36 LEU H 6.000 . 6.000 2.735 2.689 2.784 . 0 0 "[ . 1 .]" 1
709 1 14 GLU HA 1 14 GLU HB3 2.400 . 3.100 2.972 2.852 3.027 . 0 0 "[ . 1 .]" 1
710 1 35 ILE HG12 1 35 ILE MG 2.500 . 3.300 3.173 3.066 3.214 . 0 0 "[ . 1 .]" 1
711 1 35 ILE HG13 1 35 ILE MG 2.500 . 3.300 2.534 2.359 2.838 . 0 0 "[ . 1 .]" 1
712 1 58 ASP HA 1 58 ASP HB3 2.300 . 3.000 2.986 2.911 3.026 0.026 7 0 "[ . 1 .]" 1
713 1 49 ALA HA 1 49 ALA MB 2.000 . 2.500 2.106 2.081 2.127 . 0 0 "[ . 1 .]" 1
714 1 8 THR HA 1 8 THR HB 2.600 . 3.500 3.021 2.999 3.035 . 0 0 "[ . 1 .]" 1
715 1 70 THR HB 1 70 THR MG 2.100 . 2.700 2.111 2.094 2.133 . 0 0 "[ . 1 .]" 1
716 1 55 THR HA 1 55 THR HB 2.100 . 2.600 2.761 2.577 2.868 0.268 9 0 "[ . 1 .]" 1
717 1 55 THR HB 1 55 THR MG 2.000 . 2.500 2.103 2.088 2.132 . 0 0 "[ . 1 .]" 1
718 1 56 VAL HA 1 56 VAL HB 2.400 . 3.100 2.521 2.404 2.635 . 0 0 "[ . 1 .]" 1
719 1 56 VAL HA 1 56 VAL MG1 2.300 . 2.900 2.276 2.165 2.440 . 0 0 "[ . 1 .]" 1
720 1 56 VAL HA 1 56 VAL MG2 2.500 . 3.300 3.205 3.169 3.234 . 0 0 "[ . 1 .]" 1
721 1 27 VAL HA 1 27 VAL HB 2.400 . 3.100 2.965 2.899 3.009 . 0 0 "[ . 1 .]" 1
722 1 27 VAL HA 1 27 VAL MG1 2.200 . 2.800 2.091 1.905 2.222 . 0 0 "[ . 1 .]" 1
723 1 2 LEU HA 1 2 LEU HG 2.300 . 3.000 2.795 2.222 3.202 0.202 2 0 "[ . 1 .]" 1
724 1 2 LEU HA 1 2 LEU HB3 2.400 . 3.100 2.515 2.251 2.755 . 0 0 "[ . 1 .]" 1
725 1 2 LEU HA 1 2 LEU MD1 2.700 . 6.000 3.864 3.643 4.035 . 0 0 "[ . 1 .]" 1
726 1 5 LEU HA 1 5 LEU HB2 2.200 . 2.800 2.708 2.640 2.733 . 0 0 "[ . 1 .]" 1
727 1 5 LEU HA 1 5 LEU HG 2.400 . 3.100 2.189 2.113 2.330 . 0 0 "[ . 1 .]" 1
728 1 5 LEU HA 1 5 LEU MD1 2.200 . 6.000 3.494 3.323 3.700 . 0 0 "[ . 1 .]" 1
729 1 53 LEU HA 1 53 LEU HB2 2.600 . 3.500 3.009 2.986 3.025 . 0 0 "[ . 1 .]" 1
730 1 53 LEU HA 1 53 LEU HG 2.600 . 3.400 3.248 3.004 3.377 . 0 0 "[ . 1 .]" 1
731 1 53 LEU HA 1 53 LEU HB3 2.600 . 3.400 2.574 2.405 2.670 . 0 0 "[ . 1 .]" 1
732 1 53 LEU HB3 1 53 LEU MD1 2.400 . 3.100 2.175 1.971 2.343 . 0 0 "[ . 1 .]" 1
733 1 53 LEU HB2 1 53 LEU MD1 2.500 . 3.300 2.483 2.271 2.650 . 0 0 "[ . 1 .]" 1
734 1 53 LEU MD1 1 53 LEU HG 2.300 . 2.900 2.100 2.070 2.122 . 0 0 "[ . 1 .]" 1
735 1 53 LEU HA 1 53 LEU MD1 3.000 . 4.100 3.710 3.555 3.875 . 0 0 "[ . 1 .]" 1
736 1 74 LEU HA 1 74 LEU HB3 2.700 . 3.600 2.509 2.441 2.615 . 0 0 "[ . 1 .]" 1
737 1 74 LEU HB2 1 74 LEU MD2 2.600 . 3.500 3.135 3.108 3.164 . 0 0 "[ . 1 .]" 1
738 1 74 LEU HB3 1 74 LEU MD1 2.400 . 3.100 2.592 2.482 2.716 . 0 0 "[ . 1 .]" 1
739 1 74 LEU HA 1 74 LEU HB2 2.500 . 3.300 3.006 2.992 3.015 . 0 0 "[ . 1 .]" 1
740 1 74 LEU HA 1 74 LEU HG 2.400 . 3.100 2.718 2.517 2.883 . 0 0 "[ . 1 .]" 1
741 1 74 LEU HA 1 74 LEU MD1 2.800 . 3.800 3.859 3.799 3.897 0.097 13 0 "[ . 1 .]" 1
742 1 36 LEU HA 1 36 LEU MD1 2.800 . 6.000 3.900 3.876 3.927 . 0 0 "[ . 1 .]" 1
743 1 36 LEU HA 1 36 LEU HG 2.500 . 3.300 2.939 2.844 3.018 . 0 0 "[ . 1 .]" 1
744 1 36 LEU HA 1 36 LEU HB3 2.800 . 3.800 2.508 2.490 2.541 . 0 0 "[ . 1 .]" 1
745 1 36 LEU HB3 1 36 LEU MD1 2.600 . 3.400 2.465 2.366 2.535 . 0 0 "[ . 1 .]" 1
746 1 36 LEU HB3 1 36 LEU MD2 2.700 . 3.600 2.194 2.135 2.325 . 0 0 "[ . 1 .]" 1
747 1 36 LEU HB2 1 36 LEU MD2 3.000 . 4.100 3.171 3.153 3.208 . 0 0 "[ . 1 .]" 1
748 1 36 LEU HB2 1 36 LEU MD1 2.500 . 3.300 2.227 2.105 2.313 . 0 0 "[ . 1 .]" 1
749 1 36 LEU MD1 1 36 LEU HG 2.300 . 3.000 2.114 2.073 2.130 . 0 0 "[ . 1 .]" 1
750 1 19 LEU HA 1 19 LEU HG 2.900 . 3.900 2.862 2.744 2.993 . 0 0 "[ . 1 .]" 1
751 1 19 LEU HA 1 19 LEU HB2 2.800 . 3.800 3.013 2.988 3.023 . 0 0 "[ . 1 .]" 1
752 1 19 LEU HA 1 19 LEU MD2 2.200 . 2.800 2.217 1.952 2.468 . 0 0 "[ . 1 .]" 1
753 1 19 LEU HA 1 19 LEU HB3 2.800 . 3.800 2.518 2.459 2.583 . 0 0 "[ . 1 .]" 1
754 1 19 LEU HB2 1 19 LEU MD1 2.700 . 3.600 2.144 1.981 2.302 . 0 0 "[ . 1 .]" 1
755 1 19 LEU MD1 1 19 LEU MD2 2.000 . 2.500 1.986 1.868 2.063 . 0 0 "[ . 1 .]" 1
756 1 19 LEU HB3 1 19 LEU MD2 2.500 . 3.300 2.244 2.137 2.360 . 0 0 "[ . 1 .]" 1
757 1 19 LEU HB2 1 19 LEU MD2 2.500 . 3.300 3.162 3.126 3.188 . 0 0 "[ . 1 .]" 1
758 1 19 LEU MD2 1 19 LEU HG 2.200 . 2.800 2.095 2.072 2.126 . 0 0 "[ . 1 .]" 1
759 1 19 LEU HB3 1 19 LEU MD1 2.700 . 3.600 2.496 2.352 2.639 . 0 0 "[ . 1 .]" 1
760 1 35 ILE HA 1 35 ILE HB 2.700 . 3.600 3.022 3.013 3.026 . 0 0 "[ . 1 .]" 1
761 1 35 ILE HA 1 35 ILE HG13 2.800 . 6.000 3.798 3.744 3.861 . 0 0 "[ . 1 .]" 1
762 1 35 ILE HB 1 35 ILE MD 2.600 . 3.400 3.196 3.093 3.234 . 0 0 "[ . 1 .]" 1
763 1 35 ILE HA 1 35 ILE MD 2.300 . 3.000 2.378 1.976 2.977 . 0 0 "[ . 1 .]" 1
764 1 35 ILE MD 1 35 ILE MG 2.100 . 2.600 1.898 1.669 2.084 . 0 0 "[ . 1 .]" 1
765 1 35 ILE HB 1 35 ILE MG 2.200 . 2.800 2.111 2.091 2.126 . 0 0 "[ . 1 .]" 1
766 1 35 ILE HA 1 35 ILE MG 2.300 . 3.000 2.313 2.207 2.450 . 0 0 "[ . 1 .]" 1
767 1 35 ILE MD 1 35 ILE HG13 2.200 . 2.800 2.089 2.073 2.119 . 0 0 "[ . 1 .]" 1
768 1 35 ILE MD 1 35 ILE HG12 2.100 . 2.700 2.085 2.066 2.121 . 0 0 "[ . 1 .]" 1
769 1 42 ILE HA 1 42 ILE MG 2.300 . 3.000 2.620 2.548 2.684 . 0 0 "[ . 1 .]" 1
770 1 42 ILE HB 1 42 ILE MG 2.200 . 2.800 2.102 2.075 2.124 . 0 0 "[ . 1 .]" 1
771 1 42 ILE HG12 1 42 ILE MG 2.300 . 3.000 2.053 1.910 2.197 . 0 0 "[ . 1 .]" 1
772 1 42 ILE HG13 1 42 ILE MG 2.400 . 3.100 2.767 2.491 2.872 . 0 0 "[ . 1 .]" 1
773 1 42 ILE MD 1 42 ILE HG13 2.100 . 2.600 2.097 2.067 2.120 . 0 0 "[ . 1 .]" 1
774 1 42 ILE HA 1 42 ILE HG12 2.800 . 3.800 3.370 3.285 3.531 . 0 0 "[ . 1 .]" 1
775 1 42 ILE HA 1 42 ILE HG13 2.800 . 3.800 2.130 2.082 2.221 . 0 0 "[ . 1 .]" 1
776 1 42 ILE HA 1 42 ILE MD 2.500 . 3.300 3.226 2.879 3.374 0.074 8 0 "[ . 1 .]" 1
777 1 42 ILE MD 1 42 ILE HG12 2.100 . 2.700 2.097 2.068 2.122 . 0 0 "[ . 1 .]" 1
778 1 71 ILE HA 1 71 ILE HB 2.800 . 3.800 3.027 3.021 3.039 . 0 0 "[ . 1 .]" 1
779 1 71 ILE HA 1 71 ILE MD 2.800 . 6.000 3.908 3.792 3.983 . 0 0 "[ . 1 .]" 1
780 1 71 ILE HA 1 71 ILE MG 2.300 . 2.900 2.287 2.156 2.477 . 0 0 "[ . 1 .]" 1
781 1 71 ILE MD 1 71 ILE MG 2.100 . 2.600 2.050 1.854 2.311 . 0 0 "[ . 1 .]" 1
782 1 71 ILE HB 1 71 ILE MG 2.100 . 2.700 2.094 2.082 2.120 . 0 0 "[ . 1 .]" 1
783 1 71 ILE HB 1 71 ILE MD 2.200 . 2.800 2.346 2.211 2.432 . 0 0 "[ . 1 .]" 1
784 1 71 ILE HA 1 71 ILE HG12 2.700 . 3.600 2.715 2.447 2.923 . 0 0 "[ . 1 .]" 1
785 1 71 ILE HG13 1 71 ILE MG 2.600 . 3.500 3.165 3.128 3.189 . 0 0 "[ . 1 .]" 1
786 1 71 ILE HG12 1 71 ILE MG 2.500 . 3.300 2.248 2.068 2.406 . 0 0 "[ . 1 .]" 1
787 1 7 MET HA 1 7 MET HG2 3.200 . 4.500 2.857 2.108 3.502 . 0 0 "[ . 1 .]" 1
788 1 7 MET HA 1 7 MET HG3 2.800 . 3.800 2.696 2.007 3.497 . 0 0 "[ . 1 .]" 1
789 1 7 MET HA 1 7 MET HB2 2.300 . 2.900 2.680 2.431 2.963 0.063 5 0 "[ . 1 .]" 1
790 1 7 MET HB2 1 7 MET HG2 2.500 . 3.300 2.820 2.650 3.003 . 0 0 "[ . 1 .]" 1
791 1 7 MET HB2 1 7 MET HG3 2.300 . 3.000 2.515 2.216 2.945 . 0 0 "[ . 1 .]" 1
792 1 23 MET HA 1 23 MET HB3 2.700 . 3.600 2.908 2.704 3.027 . 0 0 "[ . 1 .]" 1
793 1 23 MET HA 1 23 MET QG 2.800 . 3.300 2.225 2.004 2.747 . 0 0 "[ . 1 .]" 1
794 1 23 MET HA 1 23 MET HB2 2.500 . 3.300 2.743 2.349 2.967 . 0 0 "[ . 1 .]" 1
795 1 39 MET HA 1 39 MET HG2 2.700 . 6.000 3.898 3.471 4.078 . 0 0 "[ . 1 .]" 1
796 1 39 MET HA 1 39 MET HB3 2.700 . 3.600 2.763 2.687 2.809 . 0 0 "[ . 1 .]" 1
797 1 39 MET HA 1 39 MET HG3 2.600 . 3.400 3.407 3.273 3.628 0.228 15 0 "[ . 1 .]" 1
798 1 39 MET HB3 1 39 MET HG3 2.300 . 3.000 2.921 2.901 2.951 . 0 0 "[ . 1 .]" 1
799 1 39 MET HB3 1 39 MET HG2 2.400 . 3.100 2.359 2.217 2.704 . 0 0 "[ . 1 .]" 1
800 1 39 MET HA 1 39 MET HB2 3.000 . 4.100 2.231 2.220 2.249 . 0 0 "[ . 1 .]" 1
801 1 39 MET HB2 1 39 MET HG2 2.700 . 3.600 2.918 2.888 2.939 . 0 0 "[ . 1 .]" 1
802 1 45 MET HA 1 45 MET HG2 2.600 . 3.400 2.301 2.057 3.706 0.306 7 0 "[ . 1 .]" 1
803 1 45 MET HA 1 45 MET HB2 2.500 . 3.300 2.902 2.240 3.018 . 0 0 "[ . 1 .]" 1
804 1 45 MET HA 1 45 MET HB3 2.500 . 3.300 2.698 2.516 2.870 . 0 0 "[ . 1 .]" 1
805 1 45 MET HA 1 45 MET HG3 2.700 . 3.600 3.232 2.815 3.606 0.006 2 0 "[ . 1 .]" 1
806 1 45 MET HB2 1 45 MET HG3 2.400 . 3.100 2.282 2.203 2.443 . 0 0 "[ . 1 .]" 1
807 1 45 MET HB3 1 45 MET HG3 2.400 . 3.100 2.879 2.495 3.009 . 0 0 "[ . 1 .]" 1
808 1 45 MET HB3 1 45 MET HG2 2.600 . 3.500 2.705 2.434 2.998 . 0 0 "[ . 1 .]" 1
809 1 42 ILE HA 1 42 ILE HB 2.700 . 3.600 2.992 2.979 2.998 . 0 0 "[ . 1 .]" 1
810 1 50 PHE HA 1 50 PHE HB2 2.700 . 3.600 2.951 2.890 2.982 . 0 0 "[ . 1 .]" 1
811 1 50 PHE HA 1 50 PHE HB3 2.700 . 3.600 2.714 2.625 2.817 . 0 0 "[ . 1 .]" 1
812 1 64 PHE HA 1 64 PHE HB2 2.600 . 3.500 2.848 2.785 2.944 . 0 0 "[ . 1 .]" 1
813 1 64 PHE HA 1 64 PHE HB3 2.600 . 3.400 2.854 2.723 2.916 . 0 0 "[ . 1 .]" 1
814 1 60 TYR HA 1 60 TYR HB3 2.800 . 3.700 2.557 2.503 2.627 . 0 0 "[ . 1 .]" 1
815 1 60 TYR HA 1 60 TYR HB2 2.800 . 3.800 3.022 3.006 3.037 . 0 0 "[ . 1 .]" 1
816 1 21 ASN HA 1 21 ASN HB2 2.400 . 3.100 2.564 2.243 2.733 . 0 0 "[ . 1 .]" 1
817 1 21 ASN HA 1 21 ASN HB3 2.600 . 3.400 2.986 2.830 3.031 . 0 0 "[ . 1 .]" 1
818 1 4 ASN HA 1 4 ASN HB2 2.400 . 3.100 2.513 2.233 2.766 . 0 0 "[ . 1 .]" 1
819 1 4 ASN HA 1 4 ASN HB3 2.500 . 3.300 2.806 2.232 3.028 . 0 0 "[ . 1 .]" 1
820 1 46 ASN HA 1 46 ASN HB3 2.300 . 2.900 2.827 2.362 2.981 0.081 13 0 "[ . 1 .]" 1
821 1 46 ASN HA 1 46 ASN HB2 2.200 . 2.800 2.615 2.241 2.863 0.063 11 0 "[ . 1 .]" 1
822 1 58 ASP HA 1 58 ASP HB2 2.400 . 3.100 2.526 2.250 2.733 . 0 0 "[ . 1 .]" 1
823 1 33 ASP HA 1 33 ASP HB3 2.400 . 3.100 2.959 2.557 3.023 . 0 0 "[ . 1 .]" 1
824 1 33 ASP HA 1 33 ASP HB2 2.400 . 3.100 2.465 2.263 2.726 . 0 0 "[ . 1 .]" 1
825 1 47 ASP HA 1 47 ASP HB3 2.400 . 3.100 2.868 2.427 3.023 . 0 0 "[ . 1 .]" 1
826 1 47 ASP HA 1 47 ASP HB2 2.400 . 3.100 2.701 2.238 3.017 . 0 0 "[ . 1 .]" 1
827 1 73 ASP HA 1 73 ASP QB 2.200 . 3.100 2.369 2.184 2.526 . 0 0 "[ . 1 .]" 1
828 1 26 PRO HA 1 26 PRO HG2 2.800 . 6.000 3.895 3.862 3.928 . 0 0 "[ . 1 .]" 1
829 1 26 PRO HA 1 26 PRO HG3 3.000 . 4.100 3.060 2.857 3.953 . 0 0 "[ . 1 .]" 1
830 1 26 PRO HA 1 26 PRO HB2 2.400 . 3.100 2.955 2.756 2.998 . 0 0 "[ . 1 .]" 1
831 1 26 PRO HB2 1 26 PRO HD3 3.500 . 5.000 3.860 3.821 3.900 . 0 0 "[ . 1 .]" 1
832 1 26 PRO HB3 1 26 PRO HD3 3.400 . 4.900 3.920 2.980 4.084 . 0 0 "[ . 1 .]" 1
833 1 32 PRO HA 1 32 PRO HB3 2.400 . 3.100 2.286 2.262 2.306 . 0 0 "[ . 1 .]" 1
834 1 32 PRO HA 1 32 PRO HG3 2.800 . 3.800 3.035 2.901 3.258 . 0 0 "[ . 1 .]" 1
835 1 32 PRO HA 1 32 PRO HG2 2.900 . 6.000 3.949 3.890 4.044 . 0 0 "[ . 1 .]" 1
836 1 32 PRO HD2 1 32 PRO HG2 2.700 . 3.600 2.316 2.305 2.332 . 0 0 "[ . 1 .]" 1
837 1 32 PRO HD3 1 32 PRO HG2 2.600 . 3.500 2.689 2.668 2.714 . 0 0 "[ . 1 .]" 1
838 1 32 PRO HB3 1 32 PRO HG3 2.400 . 3.100 2.315 2.288 2.333 . 0 0 "[ . 1 .]" 1
839 1 44 PRO HA 1 44 PRO HB3 2.600 . 3.400 2.260 2.247 2.278 . 0 0 "[ . 1 .]" 1
840 1 44 PRO HA 1 44 PRO HB2 2.600 . 3.500 2.873 2.765 2.952 . 0 0 "[ . 1 .]" 1
841 1 44 PRO HD3 1 44 PRO HG2 2.800 . 3.800 2.695 2.670 2.771 . 0 0 "[ . 1 .]" 1
842 1 1 GLU HA 1 1 GLU HB2 2.100 . 2.700 2.750 2.434 2.999 0.299 7 0 "[ . 1 .]" 1
843 1 57 GLU HA 1 57 GLU HB3 2.200 . 6.000 2.785 2.596 3.003 . 0 0 "[ . 1 .]" 1
844 1 57 GLU HB2 1 57 GLU HG2 2.100 . 2.700 2.755 2.317 2.970 0.270 2 0 "[ . 1 .]" 1
845 1 57 GLU HA 1 57 GLU HB2 2.300 . 2.900 2.873 2.570 3.004 0.104 6 0 "[ . 1 .]" 1
846 1 10 GLU HA 1 10 GLU HB2 2.600 . 3.400 2.802 2.270 2.998 . 0 0 "[ . 1 .]" 1
847 1 10 GLU HA 1 10 GLU HG3 2.600 . 3.500 2.951 2.160 3.641 0.141 2 0 "[ . 1 .]" 1
848 1 10 GLU HB2 1 10 GLU HG3 2.000 . 2.500 2.520 2.198 2.967 0.467 6 0 "[ . 1 .]" 1
849 1 10 GLU HB2 1 10 GLU HG2 2.700 . 3.600 2.753 2.229 3.004 . 0 0 "[ . 1 .]" 1
850 1 10 GLU HB3 1 10 GLU HG3 2.300 . 3.000 2.754 2.246 3.004 0.004 14 0 "[ . 1 .]" 1
851 1 10 GLU HA 1 10 GLU HB3 2.500 . 3.300 2.780 2.595 3.001 . 0 0 "[ . 1 .]" 1
852 1 10 GLU HA 1 10 GLU HG2 3.000 . 4.100 2.871 2.126 3.947 . 0 0 "[ . 1 .]" 1
853 1 10 GLU HB3 1 10 GLU HG2 2.600 . 3.400 2.584 2.295 3.010 . 0 0 "[ . 1 .]" 1
854 1 14 GLU HA 1 14 GLU HG2 2.700 . 3.600 2.940 2.162 3.633 0.033 4 0 "[ . 1 .]" 1
855 1 14 GLU HA 1 14 GLU HG3 2.600 . 3.500 2.924 2.330 3.577 0.077 11 0 "[ . 1 .]" 1
856 1 14 GLU HB3 1 14 GLU HG3 2.100 . 2.600 2.666 2.273 3.006 0.406 12 0 "[ . 1 .]" 1
857 1 14 GLU HB2 1 14 GLU HG3 2.200 . 6.000 2.575 2.185 3.014 . 0 0 "[ . 1 .]" 1
858 1 14 GLU HA 1 14 GLU HB2 2.400 . 3.100 2.651 2.430 2.847 . 0 0 "[ . 1 .]" 1
859 1 77 LYS HA 1 77 LYS HD3 2.600 . 6.000 3.356 2.520 4.331 . 0 0 "[ . 1 .]" 1
860 1 77 LYS HA 1 77 LYS HG2 2.300 . 2.900 2.613 2.497 2.821 . 0 0 "[ . 1 .]" 1
861 1 77 LYS HA 1 77 LYS HG3 2.400 . 6.000 3.757 3.671 3.871 . 0 0 "[ . 1 .]" 1
862 1 77 LYS HA 1 77 LYS QB 2.000 . 3.100 2.352 2.248 2.422 . 0 0 "[ . 1 .]" 1
863 1 77 LYS HD3 1 77 LYS HE2 2.400 . 3.100 2.639 2.215 3.018 . 0 0 "[ . 1 .]" 1
864 1 77 LYS HE2 1 77 LYS HG2 2.800 . 3.800 2.976 1.931 3.943 0.143 5 0 "[ . 1 .]" 1
865 1 77 LYS HE2 1 77 LYS HG3 2.700 . 3.600 3.151 2.232 4.071 0.471 6 0 "[ . 1 .]" 1
866 1 77 LYS QB 1 77 LYS HE2 3.100 . 4.300 3.522 2.565 4.261 . 0 0 "[ . 1 .]" 1
867 1 25 PRO HA 1 25 PRO HB3 2.500 . 3.300 2.293 2.251 2.339 . 0 0 "[ . 1 .]" 1
868 1 25 PRO HA 1 25 PRO HG3 3.000 . 4.200 3.798 3.194 4.064 . 0 0 "[ . 1 .]" 1
869 1 25 PRO HA 1 25 PRO HG2 3.300 . 4.700 3.932 3.840 4.085 . 0 0 "[ . 1 .]" 1
870 1 25 PRO HB3 1 25 PRO HD2 2.700 . 6.000 3.890 3.861 3.941 . 0 0 "[ . 1 .]" 1
871 1 25 PRO HA 1 25 PRO HD2 2.500 . 6.000 4.029 3.895 4.107 . 0 0 "[ . 1 .]" 1
872 1 25 PRO HD2 1 25 PRO HG2 2.500 . 3.300 2.293 2.253 2.339 . 0 0 "[ . 1 .]" 1
873 1 25 PRO HD2 1 25 PRO HG3 2.500 . 3.300 2.826 2.703 3.008 . 0 0 "[ . 1 .]" 1
874 1 76 LYS HA 1 76 LYS HD2 2.400 . 6.000 4.322 2.024 4.777 . 0 0 "[ . 1 .]" 1
875 1 76 LYS HA 1 76 LYS HG3 2.400 . 3.100 2.648 2.046 3.530 0.430 14 0 "[ . 1 .]" 1
876 1 76 LYS HB2 1 76 LYS HD2 2.200 . 2.800 2.894 2.148 3.735 0.935 9 5 "[* .- +1 **]" 1
877 1 76 LYS HD2 1 76 LYS HE3 2.300 . 3.000 2.447 2.217 3.018 0.018 1 0 "[ . 1 .]" 1
878 1 76 LYS HB2 1 76 LYS HG3 2.300 . 3.000 2.553 2.223 3.006 0.006 10 0 "[ . 1 .]" 1
879 1 68 LYS HA 1 68 LYS HB2 2.400 . 3.100 2.843 2.702 2.995 . 0 0 "[ . 1 .]" 1
880 1 68 LYS HA 1 68 LYS HB3 2.500 . 3.300 2.814 2.604 2.954 . 0 0 "[ . 1 .]" 1
881 1 68 LYS HA 1 68 LYS HG3 3.100 . 4.300 2.551 1.989 3.659 . 0 0 "[ . 1 .]" 1
882 1 68 LYS HA 1 68 LYS HD3 2.900 . 3.900 3.342 1.899 4.067 0.167 2 0 "[ . 1 .]" 1
883 1 68 LYS HA 1 68 LYS HG2 2.600 . 3.400 3.097 2.131 3.597 0.197 9 0 "[ . 1 .]" 1
884 1 68 LYS HE3 1 68 LYS HG2 2.900 . 3.900 2.750 2.017 3.821 . 0 0 "[ . 1 .]" 1
885 1 65 LYS HB3 1 65 LYS HG3 2.600 . 3.400 2.965 2.787 3.020 . 0 0 "[ . 1 .]" 1
886 1 65 LYS HB3 1 65 LYS HE3 2.900 . 6.000 4.223 2.830 5.111 . 0 0 "[ . 1 .]" 1
887 1 65 LYS HB3 1 65 LYS HG2 2.600 . 3.500 2.410 2.206 2.606 . 0 0 "[ . 1 .]" 1
888 1 65 LYS HE3 1 65 LYS HG2 3.000 . 4.100 3.031 2.134 4.064 . 0 0 "[ . 1 .]" 1
889 1 65 LYS HE3 1 65 LYS HG3 2.900 . 4.000 3.011 1.994 3.647 . 0 0 "[ . 1 .]" 1
890 1 65 LYS HD2 1 65 LYS HG2 2.400 . 3.100 2.828 2.501 2.983 . 0 0 "[ . 1 .]" 1
891 1 65 LYS HD2 1 65 LYS HG3 2.500 . 3.300 2.489 2.220 2.944 . 0 0 "[ . 1 .]" 1
892 1 65 LYS HD2 1 65 LYS HE3 2.500 . 3.300 2.455 2.226 2.990 . 0 0 "[ . 1 .]" 1
893 1 65 LYS HA 1 65 LYS HD2 3.300 . 4.700 4.887 4.475 5.538 0.838 13 4 "[* *.- 1 + .]" 1
894 1 65 LYS HA 1 65 LYS HB3 2.000 . 2.500 2.407 2.260 2.547 0.047 5 0 "[ . 1 .]" 1
895 1 59 LYS HA 1 59 LYS HB2 2.400 . 3.100 2.413 2.266 2.522 . 0 0 "[ . 1 .]" 1
896 1 59 LYS HA 1 59 LYS HG3 3.200 . 4.500 3.972 3.818 4.217 . 0 0 "[ . 1 .]" 1
897 1 59 LYS HE2 1 59 LYS HG3 2.500 . 3.300 2.425 1.931 3.915 0.615 3 1 "[ + . 1 .]" 1
898 1 59 LYS HA 1 59 LYS HB3 2.200 . 2.800 2.491 2.371 2.705 . 0 0 "[ . 1 .]" 1
899 1 59 LYS HB2 1 59 LYS HE2 2.900 . 4.000 3.901 2.376 4.943 0.943 3 2 "[ + . 1 - .]" 1
900 1 59 LYS HB2 1 59 LYS HG3 2.600 . 3.400 2.248 2.200 2.325 . 0 0 "[ . 1 .]" 1
901 1 59 LYS HA 1 59 LYS HG2 3.500 . 5.000 3.603 3.506 3.672 . 0 0 "[ . 1 .]" 1
902 1 59 LYS HE2 1 59 LYS HG2 2.800 . 3.800 3.300 2.845 3.940 0.140 7 0 "[ . 1 .]" 1
903 1 59 LYS HB2 1 59 LYS HG2 2.600 . 3.400 2.904 2.699 2.994 . 0 0 "[ . 1 .]" 1
904 1 59 LYS QD 1 59 LYS HG2 2.400 . 3.100 2.181 2.141 2.458 . 0 0 "[ . 1 .]" 1
905 1 59 LYS QD 1 59 LYS HG3 2.500 . 3.300 2.458 2.228 2.533 . 0 0 "[ . 1 .]" 1
906 1 59 LYS QD 1 59 LYS HE2 2.300 . 2.900 2.393 2.147 2.528 . 0 0 "[ . 1 .]" 1
907 1 59 LYS HA 1 59 LYS QD 2.700 . 6.000 4.159 3.690 4.413 . 0 0 "[ . 1 .]" 1
908 1 38 LYS HA 1 38 LYS HB3 2.400 . 3.100 2.309 2.233 2.392 . 0 0 "[ . 1 .]" 1
909 1 38 LYS HE2 1 38 LYS HG2 2.800 . 3.800 2.433 1.972 2.945 . 0 0 "[ . 1 .]" 1
910 1 38 LYS HA 1 38 LYS HG2 2.800 . 3.800 3.606 3.389 3.734 . 0 0 "[ . 1 .]" 1
911 1 38 LYS HE2 1 38 LYS HG3 2.800 . 3.800 3.581 3.268 3.851 0.051 10 0 "[ . 1 .]" 1
912 1 38 LYS HA 1 38 LYS HG3 2.300 . 6.000 3.800 3.700 3.903 . 0 0 "[ . 1 .]" 1
913 1 38 LYS HD2 1 38 LYS HE2 2.600 . 3.400 2.953 2.748 3.015 . 0 0 "[ . 1 .]" 1
914 1 38 LYS HB2 1 38 LYS HD2 2.200 . 6.000 3.465 3.148 3.738 . 0 0 "[ . 1 .]" 1
915 1 38 LYS HB3 1 38 LYS HD2 2.100 . 6.000 3.728 3.464 3.837 . 0 0 "[ . 1 .]" 1
916 1 38 LYS HD2 1 38 LYS HG3 1.900 . 2.400 2.288 2.220 2.433 0.033 15 0 "[ . 1 .]" 1
917 1 38 LYS HA 1 38 LYS HD2 2.800 . 6.000 5.452 5.298 5.540 . 0 0 "[ . 1 .]" 1
918 1 38 LYS HB3 1 38 LYS HE2 2.700 . 3.600 2.574 1.886 3.446 . 0 0 "[ . 1 .]" 1
919 1 38 LYS HA 1 38 LYS HB2 2.400 . 3.100 2.617 2.524 2.798 . 0 0 "[ . 1 .]" 1
920 1 38 LYS HB2 1 38 LYS HE2 2.700 . 6.000 3.652 3.227 4.355 . 0 0 "[ . 1 .]" 1
921 1 38 LYS HB3 1 38 LYS HG3 2.300 . 6.000 3.006 2.999 3.015 . 0 0 "[ . 1 .]" 1
922 1 38 LYS HB2 1 38 LYS HG3 2.300 . 3.000 2.441 2.353 2.531 . 0 0 "[ . 1 .]" 1
923 1 37 LYS HA 1 37 LYS HG2 2.700 . 3.600 2.516 2.341 2.739 . 0 0 "[ . 1 .]" 1
924 1 37 LYS HA 1 37 LYS HD2 2.800 . 6.000 4.495 4.344 4.789 . 0 0 "[ . 1 .]" 1
925 1 37 LYS HB2 1 37 LYS HG2 2.400 . 3.100 3.000 2.974 3.015 . 0 0 "[ . 1 .]" 1
926 1 37 LYS HB2 1 37 LYS HD2 2.400 . 3.100 2.579 2.217 3.272 0.172 6 0 "[ . 1 .]" 1
927 1 37 LYS HA 1 37 LYS HB2 2.300 . 3.000 2.980 2.945 3.008 0.008 6 0 "[ . 1 .]" 1
928 1 37 LYS HE3 1 37 LYS HG3 3.200 . 4.500 2.572 2.049 3.461 . 0 0 "[ . 1 .]" 1
929 1 37 LYS HD2 1 37 LYS HE3 2.200 . 6.000 2.625 2.244 2.847 . 0 0 "[ . 1 .]" 1
930 1 37 LYS HE3 1 37 LYS HG2 3.200 . 4.500 2.795 1.950 3.944 . 0 0 "[ . 1 .]" 1
931 1 37 LYS HA 1 37 LYS HG3 2.400 . 3.100 2.677 2.418 3.101 0.001 6 0 "[ . 1 .]" 1
932 1 37 LYS HB2 1 37 LYS HE3 3.400 . 4.800 3.995 2.500 4.556 . 0 0 "[ . 1 .]" 1
933 1 37 LYS HD2 1 37 LYS HG3 2.300 . 2.900 2.518 2.212 3.011 0.111 3 0 "[ . 1 .]" 1
934 1 37 LYS HE2 1 37 LYS HG2 2.700 . 3.600 3.003 2.484 3.507 . 0 0 "[ . 1 .]" 1
935 1 37 LYS HD2 1 37 LYS HE2 2.400 . 3.100 2.944 2.826 3.018 . 0 0 "[ . 1 .]" 1
936 1 37 LYS HE2 1 37 LYS HG3 2.800 . 3.800 3.283 2.290 3.994 0.194 6 0 "[ . 1 .]" 1
937 1 6 ARG HA 1 6 ARG QB 2.300 . 2.900 2.408 2.204 2.509 . 0 0 "[ . 1 .]" 1
938 1 6 ARG HA 1 6 ARG HG2 2.500 . 6.000 3.146 2.046 4.061 . 0 0 "[ . 1 .]" 1
939 1 6 ARG HA 1 6 ARG HD3 2.700 . 6.000 3.911 1.986 4.563 . 0 0 "[ . 1 .]" 1
940 1 6 ARG QB 1 6 ARG HD3 2.300 . 3.000 2.414 1.984 3.258 0.258 5 0 "[ . 1 .]" 1
941 1 6 ARG QB 1 6 ARG HG2 2.200 . 2.800 2.280 2.124 2.516 . 0 0 "[ . 1 .]" 1
942 1 6 ARG HD3 1 6 ARG HG2 2.800 . 3.800 2.678 2.206 3.008 . 0 0 "[ . 1 .]" 1
943 1 11 ARG HA 1 11 ARG HB2 2.200 . 2.800 2.621 2.459 2.703 . 0 0 "[ . 1 .]" 1
944 1 11 ARG HA 1 11 ARG HB3 2.200 . 6.000 2.991 2.946 3.020 . 0 0 "[ . 1 .]" 1
945 1 11 ARG HB3 1 11 ARG HD3 2.600 . 6.000 3.589 2.498 4.195 . 0 0 "[ . 1 .]" 1
946 1 11 ARG HB3 1 11 ARG HG2 1.900 . 2.300 2.291 2.201 2.936 0.636 14 1 "[ . 1 +.]" 1
947 1 11 ARG HB2 1 11 ARG HD2 2.900 . 4.000 2.629 1.909 3.495 . 0 0 "[ . 1 .]" 1
948 1 11 ARG HB3 1 11 ARG HD2 2.700 . 6.000 3.563 2.469 4.133 . 0 0 "[ . 1 .]" 1
949 1 11 ARG HD2 1 11 ARG HG2 2.200 . 2.800 2.774 2.403 3.004 0.204 14 0 "[ . 1 .]" 1
950 1 11 ARG HA 1 11 ARG HD2 2.600 . 6.000 3.391 2.329 4.299 . 0 0 "[ . 1 .]" 1
951 1 11 ARG HA 1 11 ARG HD3 2.700 . 3.600 3.793 3.084 4.592 0.992 15 3 "[ -. 1* +]" 1
952 1 11 ARG HB2 1 11 ARG HD3 2.700 . 3.600 2.833 1.945 3.668 0.068 14 0 "[ . 1 .]" 1
953 1 11 ARG HB2 1 11 ARG HG2 2.200 . 2.800 2.714 2.520 2.859 0.059 15 0 "[ . 1 .]" 1
954 1 11 ARG HD3 1 11 ARG HG2 2.400 . 3.100 2.495 2.207 3.007 . 0 0 "[ . 1 .]" 1
955 1 11 ARG HA 1 11 ARG HG2 2.300 . 6.000 3.495 2.116 3.704 . 0 0 "[ . 1 .]" 1
956 1 13 ARG HA 1 13 ARG HB3 2.700 . 3.600 3.000 2.955 3.028 . 0 0 "[ . 1 .]" 1
957 1 13 ARG HA 1 13 ARG HB2 2.800 . 3.800 2.531 2.302 2.726 . 0 0 "[ . 1 .]" 1
958 1 13 ARG HB3 1 13 ARG HD3 3.000 . 4.100 2.962 1.947 3.762 . 0 0 "[ . 1 .]" 1
959 1 13 ARG HB3 1 13 ARG HD2 2.900 . 4.000 3.479 2.297 4.068 0.068 13 0 "[ . 1 .]" 1
960 1 13 ARG HB3 1 13 ARG HG2 2.400 . 3.100 2.352 2.200 2.740 . 0 0 "[ . 1 .]" 1
961 1 13 ARG HD3 1 13 ARG HG2 2.400 . 3.100 2.599 2.249 3.017 . 0 0 "[ . 1 .]" 1
962 1 13 ARG HB2 1 13 ARG HD3 2.300 . 2.900 2.619 1.911 3.679 0.779 3 2 "[- + . 1 .]" 1
963 1 13 ARG HA 1 13 ARG HG2 2.600 . 3.400 3.323 2.547 3.859 0.459 6 0 "[ . 1 .]" 1
964 1 22 ARG HB2 1 22 ARG HD2 2.900 . 3.900 2.744 2.108 3.898 . 0 0 "[ . 1 .]" 1
965 1 22 ARG HA 1 22 ARG HB2 2.400 . 3.100 2.621 2.333 2.728 . 0 0 "[ . 1 .]" 1
966 1 63 ARG HA 1 63 ARG HB3 2.700 . 3.600 2.655 2.504 2.769 . 0 0 "[ . 1 .]" 1
967 1 62 ARG HA 1 62 ARG QD 3.200 . 4.500 3.631 2.197 4.172 . 0 0 "[ . 1 .]" 1
968 1 62 ARG HA 1 62 ARG HB3 2.400 . 3.100 2.689 2.402 3.008 . 0 0 "[ . 1 .]" 1
969 1 62 ARG HA 1 62 ARG HB2 2.200 . 2.800 2.811 2.249 3.021 0.221 1 0 "[ . 1 .]" 1
970 1 62 ARG HA 1 62 ARG HG3 2.300 . 3.000 2.787 1.977 3.746 0.746 10 2 "[ . + - .]" 1
971 1 62 ARG HB3 1 62 ARG HG2 2.200 . 2.800 2.472 2.178 2.979 0.179 10 0 "[ . 1 .]" 1
972 1 62 ARG HA 1 62 ARG HG2 2.700 . 3.600 2.893 2.343 3.328 . 0 0 "[ . 1 .]" 1
973 1 62 ARG HB3 1 62 ARG HG3 2.400 . 3.100 2.844 2.543 3.016 . 0 0 "[ . 1 .]" 1
974 1 34 SER HA 1 34 SER HB3 2.300 . 3.000 2.259 2.233 2.413 . 0 0 "[ . 1 .]" 1
975 1 48 SER HA 1 48 SER HB3 2.300 . 2.900 2.264 2.234 2.343 . 0 0 "[ . 1 .]" 1
976 1 48 SER HA 1 48 SER HB2 2.300 . 2.900 2.900 2.790 2.994 0.094 7 0 "[ . 1 .]" 1
977 1 75 SER HA 1 75 SER HB2 2.000 . 2.500 2.646 2.543 2.790 0.290 15 0 "[ . 1 .]" 1
978 1 16 SER HA 1 16 SER HB2 2.700 . 3.600 2.873 2.311 3.040 . 0 0 "[ . 1 .]" 1
979 1 16 SER HA 1 16 SER HB3 2.600 . 3.400 2.728 2.434 3.033 . 0 0 "[ . 1 .]" 1
980 1 24 VAL HA 1 24 VAL HB 2.700 . 3.600 3.018 2.986 3.037 . 0 0 "[ . 1 .]" 1
981 1 8 THR HB 1 8 THR MG 2.100 . 2.600 2.116 2.090 2.136 . 0 0 "[ . 1 .]" 1
982 1 55 THR HA 1 55 THR MG 2.300 . 3.000 2.007 1.895 2.134 . 0 0 "[ . 1 .]" 1
983 1 52 THR HA 1 52 THR HB 1.900 . 2.400 2.610 2.446 2.760 0.360 5 0 "[ . 1 .]" 1
984 1 52 THR HB 1 52 THR MG 1.900 . 2.400 2.114 2.088 2.126 . 0 0 "[ . 1 .]" 1
985 1 52 THR HA 1 52 THR MG 2.000 . 2.500 2.160 1.957 2.410 . 0 0 "[ . 1 .]" 1
986 1 70 THR HA 1 70 THR MG 1.900 . 2.300 2.062 1.952 2.201 . 0 0 "[ . 1 .]" 1
987 1 30 PHE HA 1 30 PHE HB3 2.700 . 3.600 3.023 3.015 3.038 . 0 0 "[ . 1 .]" 1
988 1 30 PHE HA 1 30 PHE HB2 2.600 . 3.400 2.492 2.405 2.567 . 0 0 "[ . 1 .]" 1
989 1 2 LEU HB2 1 2 LEU MD1 2.200 . 2.800 2.116 1.965 2.440 . 0 0 "[ . 1 .]" 1
990 1 2 LEU HB2 1 2 LEU MD2 2.300 . 6.000 3.129 3.063 3.186 . 0 0 "[ . 1 .]" 1
991 1 2 LEU HA 1 2 LEU HB2 2.400 . 3.100 2.994 2.931 3.028 . 0 0 "[ . 1 .]" 1
992 1 2 LEU HB3 1 2 LEU MD2 2.000 . 2.500 2.204 2.009 2.488 . 0 0 "[ . 1 .]" 1
993 1 2 LEU HA 1 2 LEU MD2 2.100 . 2.600 2.371 1.664 2.663 0.063 1 0 "[ . 1 .]" 1
994 1 2 LEU HB3 1 2 LEU MD1 2.200 . 2.800 2.593 2.191 2.803 0.003 1 0 "[ . 1 .]" 1
995 1 2 LEU MD1 1 2 LEU HG 2.300 . 2.900 2.101 2.081 2.124 . 0 0 "[ . 1 .]" 1
996 1 2 LEU MD2 1 2 LEU HG 2.400 . 3.100 2.104 2.084 2.130 . 0 0 "[ . 1 .]" 1
997 1 5 LEU HA 1 5 LEU HB3 2.400 . 3.100 2.952 2.941 2.986 . 0 0 "[ . 1 .]" 1
998 1 5 LEU HB2 1 5 LEU MD1 2.000 . 2.500 2.047 1.933 2.177 . 0 0 "[ . 1 .]" 1
999 1 5 LEU HB3 1 5 LEU MD1 2.200 . 2.800 2.700 2.531 2.857 0.057 2 0 "[ . 1 .]" 1
1000 1 78 ARG HA 1 78 ARG HB3 2.100 . 2.700 2.937 2.504 3.033 0.333 1 0 "[ . 1 .]" 1
1001 1 78 ARG HA 1 78 ARG HG2 2.600 . 3.500 3.005 2.223 4.075 0.575 4 2 "[ +. 1- .]" 1
1002 1 78 ARG HA 1 78 ARG HD3 2.900 . 6.000 4.539 4.233 5.085 . 0 0 "[ . 1 .]" 1
1003 1 78 ARG HD3 1 78 ARG HG2 2.200 . 6.000 2.713 2.223 3.020 . 0 0 "[ . 1 .]" 1
1004 1 78 ARG HB3 1 78 ARG HD3 2.400 . 3.100 2.882 2.091 4.005 0.905 5 1 "[ + 1 .]" 1
1005 1 12 LEU HA 1 12 LEU HB2 2.700 . 3.600 2.983 2.954 3.011 . 0 0 "[ . 1 .]" 1
1006 1 15 LEU HA 1 15 LEU MD1 2.300 . 6.000 3.641 3.498 3.702 . 0 0 "[ . 1 .]" 1
1007 1 15 LEU HB2 1 15 LEU MD1 2.200 . 6.000 2.788 2.732 2.931 . 0 0 "[ . 1 .]" 1
1008 1 15 LEU MD1 1 15 LEU MD2 2.100 . 2.700 1.962 1.849 2.071 . 0 0 "[ . 1 .]" 1
1009 1 15 LEU HB3 1 15 LEU MD2 2.300 . 3.000 2.834 2.772 2.941 . 0 0 "[ . 1 .]" 1
1010 1 15 LEU HB2 1 15 LEU MD2 2.600 . 3.500 3.067 2.983 3.114 . 0 0 "[ . 1 .]" 1
1011 1 15 LEU HA 1 15 LEU MD2 2.400 . 3.100 1.712 1.652 1.800 0.048 11 0 "[ . 1 .]" 1
1012 1 15 LEU MD1 1 15 LEU HG 2.100 . 2.700 2.090 2.066 2.115 . 0 0 "[ . 1 .]" 1
1013 1 15 LEU HA 1 15 LEU HB2 2.200 . 2.800 2.744 2.719 2.769 . 0 0 "[ . 1 .]" 1
1014 1 15 LEU HB3 1 15 LEU MD1 2.200 . 2.800 2.003 1.892 2.153 . 0 0 "[ . 1 .]" 1
1015 1 15 LEU MD2 1 15 LEU HG 2.100 . 2.700 2.098 2.077 2.120 . 0 0 "[ . 1 .]" 1
1016 1 15 LEU HA 1 15 LEU HB3 2.400 . 3.100 2.940 2.931 2.951 . 0 0 "[ . 1 .]" 1
1017 1 17 LEU HA 1 17 LEU HB2 2.600 . 3.500 2.921 2.877 2.967 . 0 0 "[ . 1 .]" 1
1018 1 17 LEU HA 1 17 LEU HB3 2.300 . 3.000 2.753 2.665 2.818 . 0 0 "[ . 1 .]" 1
1019 1 17 LEU HB2 1 17 LEU QD 2.400 . 3.100 2.111 2.048 2.157 . 0 0 "[ . 1 .]" 1
1020 1 17 LEU HB3 1 17 LEU MD1 2.100 . 6.000 3.176 3.150 3.199 . 0 0 "[ . 1 .]" 1
1021 1 17 LEU HB2 1 17 LEU MD1 2.400 . 3.100 2.349 2.162 2.561 . 0 0 "[ . 1 .]" 1
1022 1 17 LEU HA 1 17 LEU MD1 2.400 . 3.100 2.453 1.918 2.914 . 0 0 "[ . 1 .]" 1
1023 1 17 LEU HB3 1 17 LEU MD2 2.100 . 2.700 2.234 1.993 2.479 . 0 0 "[ . 1 .]" 1
1024 1 17 LEU HB2 1 17 LEU MD2 2.700 . 3.600 2.438 2.209 2.602 . 0 0 "[ . 1 .]" 1
1025 1 17 LEU HA 1 17 LEU MD2 2.200 . 6.000 3.707 3.611 3.796 . 0 0 "[ . 1 .]" 1
1026 1 17 LEU HA 1 17 LEU HG 3.000 . 4.100 2.395 2.214 2.703 . 0 0 "[ . 1 .]" 1
1027 1 12 LEU MD1 1 12 LEU MD2 2.000 . 2.500 1.976 1.877 2.078 . 0 0 "[ . 1 .]" 1
1028 1 12 LEU HB3 1 12 LEU MD1 2.100 . 2.600 2.606 2.560 2.663 0.063 15 0 "[ . 1 .]" 1
1029 1 12 LEU HB2 1 12 LEU MD1 2.300 . 3.000 2.113 1.953 2.232 . 0 0 "[ . 1 .]" 1
1030 1 12 LEU HA 1 12 LEU MD1 2.600 . 6.000 3.795 3.746 3.832 . 0 0 "[ . 1 .]" 1
1031 1 12 LEU HB3 1 12 LEU MD2 1.900 . 2.400 2.007 1.964 2.052 . 0 0 "[ . 1 .]" 1
1032 1 12 LEU HB2 1 12 LEU MD2 2.000 . 6.000 3.098 3.077 3.127 . 0 0 "[ . 1 .]" 1
1033 1 12 LEU HA 1 12 LEU HB3 2.500 . 3.300 2.653 2.598 2.697 . 0 0 "[ . 1 .]" 1
1034 1 12 LEU HA 1 12 LEU HG 2.100 . 2.600 2.507 2.396 2.606 0.006 14 0 "[ . 1 .]" 1
1035 1 12 LEU HA 1 12 LEU MD2 2.200 . 2.800 2.569 2.509 2.653 . 0 0 "[ . 1 .]" 1
1036 1 12 LEU MD2 1 12 LEU HG 2.000 . 2.500 2.095 2.079 2.113 . 0 0 "[ . 1 .]" 1
1037 1 36 LEU MD1 1 36 LEU MD2 1.900 . 2.400 2.022 1.922 2.080 . 0 0 "[ . 1 .]" 1
1038 1 36 LEU MD2 1 36 LEU HG 2.300 . 2.900 2.107 2.079 2.132 . 0 0 "[ . 1 .]" 1
1039 1 36 LEU HA 1 36 LEU MD2 2.100 . 2.700 2.318 2.148 2.400 . 0 0 "[ . 1 .]" 1
1040 1 53 LEU HB3 1 53 LEU MD2 2.300 . 3.000 2.538 2.308 2.724 . 0 0 "[ . 1 .]" 1
1041 1 53 LEU MD2 1 53 LEU HG 2.100 . 2.600 2.113 2.100 2.127 . 0 0 "[ . 1 .]" 1
1042 1 53 LEU HB2 1 53 LEU MD2 2.300 . 6.000 3.172 3.128 3.199 . 0 0 "[ . 1 .]" 1
1043 1 53 LEU HA 1 53 LEU MD2 2.200 . 2.800 1.958 1.741 2.293 . 0 0 "[ . 1 .]" 1
1044 1 74 LEU HB2 1 74 LEU MD1 2.300 . 2.900 2.120 1.968 2.256 . 0 0 "[ . 1 .]" 1
1045 1 74 LEU HB3 1 74 LEU MD2 2.100 . 2.700 2.136 2.049 2.225 . 0 0 "[ . 1 .]" 1
1046 1 74 LEU HA 1 74 LEU MD2 2.000 . 2.500 2.386 2.261 2.519 0.019 10 0 "[ . 1 .]" 1
1047 1 74 LEU MD2 1 74 LEU HG 2.000 . 2.500 2.106 2.077 2.133 . 0 0 "[ . 1 .]" 1
1048 1 74 LEU MD1 1 74 LEU HG 2.300 . 3.000 2.099 2.066 2.127 . 0 0 "[ . 1 .]" 1
1049 1 74 LEU MD1 1 74 LEU MD2 1.900 . 2.300 2.000 1.881 2.087 . 0 0 "[ . 1 .]" 1
1050 1 35 ILE HA 1 35 ILE HG12 2.800 . 3.800 2.908 2.559 3.183 . 0 0 "[ . 1 .]" 1
1051 1 42 ILE HB 1 42 ILE HG13 2.600 . 3.500 2.948 2.911 3.016 . 0 0 "[ . 1 .]" 1
1052 1 42 ILE HB 1 42 ILE HG12 2.300 . 3.000 2.718 2.582 2.774 . 0 0 "[ . 1 .]" 1
1053 1 71 ILE HB 1 71 ILE HG13 2.600 . 3.500 2.551 2.431 2.636 . 0 0 "[ . 1 .]" 1
1054 1 71 ILE MD 1 71 ILE HG13 2.100 . 2.600 2.109 2.085 2.124 . 0 0 "[ . 1 .]" 1
1055 1 71 ILE MD 1 71 ILE HG12 2.100 . 2.600 2.108 2.076 2.125 . 0 0 "[ . 1 .]" 1
1056 1 31 MET HA 1 31 MET HB2 2.800 . 3.800 2.611 2.561 2.689 . 0 0 "[ . 1 .]" 1
1057 1 25 PRO HB2 1 25 PRO HG2 2.100 . 2.600 2.304 2.260 2.325 . 0 0 "[ . 1 .]" 1
1058 1 25 PRO HB3 1 25 PRO HG3 2.400 . 3.100 2.307 2.254 2.334 . 0 0 "[ . 1 .]" 1
1059 1 25 PRO HB3 1 25 PRO HG2 2.400 . 3.100 2.902 2.675 2.994 . 0 0 "[ . 1 .]" 1
1060 1 26 PRO HD3 1 26 PRO HG2 2.400 . 3.100 2.736 2.673 2.994 . 0 0 "[ . 1 .]" 1
1061 1 26 PRO HA 1 26 PRO HB3 2.600 . 3.400 2.298 2.261 2.329 . 0 0 "[ . 1 .]" 1
1062 1 26 PRO HA 1 26 PRO HD3 3.500 . 5.000 3.625 3.380 3.726 . 0 0 "[ . 1 .]" 1
1063 1 32 PRO HB2 1 32 PRO HD3 3.600 . 5.200 3.882 3.845 3.947 . 0 0 "[ . 1 .]" 1
1064 1 32 PRO HD3 1 32 PRO HG3 2.800 . 3.800 2.313 2.302 2.329 . 0 0 "[ . 1 .]" 1
1065 1 32 PRO HB2 1 32 PRO HD2 3.300 . 4.700 2.958 2.913 3.051 . 0 0 "[ . 1 .]" 1
1066 1 32 PRO HD2 1 32 PRO HG3 2.800 . 3.800 2.992 2.982 3.005 . 0 0 "[ . 1 .]" 1
1067 1 32 PRO HB3 1 32 PRO HD3 3.300 . 4.700 4.047 4.025 4.063 . 0 0 "[ . 1 .]" 1
1068 1 9 TYR HA 1 9 TYR HB3 2.600 . 3.400 3.019 2.979 3.030 . 0 0 "[ . 1 .]" 1
1069 1 9 TYR HA 1 9 TYR HB2 2.800 . 3.800 2.402 2.308 2.478 . 0 0 "[ . 1 .]" 1
1070 1 44 PRO HD3 1 44 PRO HG3 2.800 . 3.700 2.308 2.274 2.327 . 0 0 "[ . 1 .]" 1
1071 1 1 GLU HA 1 1 GLU HG3 2.400 . 3.100 2.885 2.019 3.555 0.455 9 0 "[ . 1 .]" 1
1072 1 57 GLU HA 1 57 GLU HG2 2.300 . 6.000 2.869 2.077 3.614 . 0 0 "[ . 1 .]" 1
1073 1 57 GLU HB3 1 57 GLU HG2 2.200 . 2.800 2.452 2.204 3.008 0.208 14 0 "[ . 1 .]" 1
1074 1 23 MET HB3 1 23 MET QG 2.500 . 3.300 2.204 2.127 2.393 . 0 0 "[ . 1 .]" 1
1075 1 23 MET HB2 1 23 MET QG 2.500 . 3.300 2.448 2.248 2.528 . 0 0 "[ . 1 .]" 1
1076 1 31 MET HA 1 31 MET HG2 3.600 . 5.200 3.619 3.557 3.680 . 0 0 "[ . 1 .]" 1
1077 1 31 MET HA 1 31 MET HG3 3.600 . 5.200 3.018 2.913 3.092 . 0 0 "[ . 1 .]" 1
1078 1 31 MET HA 1 31 MET HB3 2.800 . 3.700 3.002 2.968 3.018 . 0 0 "[ . 1 .]" 1
1079 1 31 MET HB2 1 31 MET HG2 2.300 . 3.000 2.353 2.300 2.404 . 0 0 "[ . 1 .]" 1
1080 1 31 MET HB3 1 31 MET HG2 2.300 . 2.900 2.487 2.414 2.543 . 0 0 "[ . 1 .]" 1
1081 1 31 MET HB3 1 31 MET HG3 2.200 . 2.800 2.363 2.308 2.422 . 0 0 "[ . 1 .]" 1
1082 1 31 MET HB2 1 31 MET HG3 2.500 . 3.300 2.997 2.979 3.007 . 0 0 "[ . 1 .]" 1
1083 1 39 MET HB2 1 39 MET HG3 2.600 . 3.500 2.581 2.208 2.763 . 0 0 "[ . 1 .]" 1
1084 1 45 MET HB2 1 45 MET HG2 2.300 . 3.000 2.883 2.496 3.007 0.007 4 0 "[ . 1 .]" 1
1085 1 66 TYR HA 1 66 TYR HB2 2.500 . 3.300 3.021 3.007 3.030 . 0 0 "[ . 1 .]" 1
1086 1 66 TYR HA 1 66 TYR HB3 2.500 . 3.300 2.492 2.391 2.586 . 0 0 "[ . 1 .]" 1
1087 1 18 ASN HA 1 18 ASN HB2 2.400 . 3.100 2.733 2.305 2.947 . 0 0 "[ . 1 .]" 1
1088 1 18 ASN HA 1 18 ASN HB3 2.300 . 3.000 2.910 2.714 2.990 . 0 0 "[ . 1 .]" 1
1089 1 27 VAL HB 1 27 VAL MG2 2.100 . 2.600 2.109 2.072 2.131 . 0 0 "[ . 1 .]" 1
1090 1 27 VAL HA 1 27 VAL MG2 2.200 . 2.800 2.684 2.549 2.832 0.032 13 0 "[ . 1 .]" 1
1091 1 27 VAL HB 1 27 VAL MG1 2.100 . 2.600 2.093 2.069 2.134 . 0 0 "[ . 1 .]" 1
1092 1 56 VAL HB 1 56 VAL MG1 2.200 . 2.800 2.105 2.067 2.125 . 0 0 "[ . 1 .]" 1
1093 1 56 VAL HB 1 56 VAL MG2 2.300 . 3.000 2.102 2.081 2.134 . 0 0 "[ . 1 .]" 1
1094 1 56 VAL MG1 1 56 VAL MG2 1.800 . 2.200 2.020 1.868 2.089 . 0 0 "[ . 1 .]" 1
1095 1 24 VAL HA 1 24 VAL MG1 2.000 . 2.500 2.321 2.105 2.519 0.019 12 0 "[ . 1 .]" 1
1096 1 24 VAL HB 1 24 VAL MG1 1.800 . 2.200 2.111 2.076 2.134 . 0 0 "[ . 1 .]" 1
1097 1 40 ALA HA 1 40 ALA MB 2.000 . 2.500 2.101 2.081 2.134 . 0 0 "[ . 1 .]" 1
1098 1 41 ALA HA 1 41 ALA MB 1.900 . 2.300 2.096 2.072 2.132 . 0 0 "[ . 1 .]" 1
1099 1 69 ALA HA 1 69 ALA MB 1.900 . 2.300 2.115 2.097 2.131 . 0 0 "[ . 1 .]" 1
1100 1 72 ALA HA 1 72 ALA MB 1.800 . 2.200 2.102 2.073 2.134 . 0 0 "[ . 1 .]" 1
1101 1 79 SER HA 1 79 SER HB3 2.100 . 2.600 2.296 2.233 2.475 . 0 0 "[ . 1 .]" 1
1102 1 80 SER HA 1 80 SER HB3 2.000 . 2.500 2.316 2.244 2.458 . 0 0 "[ . 1 .]" 1
1103 1 43 LEU HB3 1 43 LEU QD 2.800 . 3.500 2.084 2.002 2.168 . 0 0 "[ . 1 .]" 1
1104 1 43 LEU HA 1 43 LEU HB2 3.000 . 4.100 2.977 2.953 2.993 . 0 0 "[ . 1 .]" 1
1105 1 43 LEU HA 1 43 LEU QD 2.100 . 2.600 1.993 1.662 2.268 . 0 0 "[ . 1 .]" 1
1106 1 43 LEU HB2 1 43 LEU QD 2.500 . 2.900 2.230 2.130 2.399 . 0 0 "[ . 1 .]" 1
1107 1 43 LEU MD1 1 43 LEU MD2 1.800 . 2.200 1.952 1.865 2.078 . 0 0 "[ . 1 .]" 1
1108 1 43 LEU HA 1 43 LEU HB3 3.000 . 4.100 2.643 2.594 2.689 . 0 0 "[ . 1 .]" 1
1109 1 61 ARG HA 1 61 ARG HB3 2.500 . 3.300 2.671 2.398 2.952 . 0 0 "[ . 1 .]" 1
1110 1 61 ARG HB3 1 61 ARG HD2 2.700 . 3.600 2.700 1.949 3.954 0.354 15 0 "[ . 1 .]" 1
1111 1 61 ARG HA 1 61 ARG HD2 2.700 . 3.600 3.570 2.418 4.434 0.834 1 5 "[+** . 1 - *]" 1
1112 1 61 ARG HA 1 61 ARG HG2 3.000 . 4.100 2.574 2.044 3.345 . 0 0 "[ . 1 .]" 1
1113 1 61 ARG HA 1 61 ARG HB2 2.500 . 3.300 2.933 2.685 3.035 . 0 0 "[ . 1 .]" 1
1114 1 61 ARG HB2 1 61 ARG HD2 2.700 . 3.600 3.343 2.614 3.733 0.133 14 0 "[ . 1 .]" 1
1115 1 61 ARG HB3 1 61 ARG HG2 2.200 . 2.800 2.658 2.210 2.980 0.180 5 0 "[ . 1 .]" 1
1116 1 61 ARG HD2 1 61 ARG HG3 2.300 . 3.000 2.777 2.336 3.008 0.008 9 0 "[ . 1 .]" 1
1117 1 61 ARG HA 1 61 ARG HG3 2.500 . 3.300 3.122 2.033 3.778 0.478 5 0 "[ . 1 .]" 1
1118 1 35 ILE MD 1 60 TYR QD 2.800 . 6.000 3.555 2.560 4.569 . 0 0 "[ . 1 .]" 1
1119 1 35 ILE MD 1 64 PHE QE 3.000 . 6.000 4.420 4.076 4.767 . 0 0 "[ . 1 .]" 1
1120 1 35 ILE MD 1 60 TYR QE 2.900 . 6.000 3.885 2.970 5.121 . 0 0 "[ . 1 .]" 1
1121 1 38 LYS HA 1 42 ILE MD 3.000 . 4.100 2.959 2.681 3.299 . 0 0 "[ . 1 .]" 1
1122 1 42 ILE MD 1 52 THR HB 3.100 . 4.300 3.862 3.212 4.315 0.015 1 0 "[ . 1 .]" 1
1123 1 42 ILE MD 1 44 PRO HD3 3.300 . 6.000 4.769 4.546 4.996 . 0 0 "[ . 1 .]" 1
1124 1 68 LYS HA 1 71 ILE MD 2.500 . 3.300 2.438 1.889 3.178 . 0 0 "[ . 1 .]" 1
1125 1 67 PHE HB3 1 71 ILE MD 2.600 . 3.400 2.136 1.927 2.432 . 0 0 "[ . 1 .]" 1
1126 1 67 PHE HB2 1 71 ILE MD 2.600 . 3.400 2.950 2.615 3.321 . 0 0 "[ . 1 .]" 1
1127 1 50 PHE QE 1 71 ILE MD 2.600 . 3.500 3.020 2.725 3.327 . 0 0 "[ . 1 .]" 1
1128 1 50 PHE HZ 1 71 ILE MD 2.600 . 3.400 2.363 2.046 2.983 . 0 0 "[ . 1 .]" 1
1129 1 64 PHE HZ 1 71 ILE MD 2.400 . 6.000 4.512 4.209 4.892 . 0 0 "[ . 1 .]" 1
1130 1 67 PHE QD 1 71 ILE MD 2.900 . 6.000 3.789 3.495 4.056 . 0 0 "[ . 1 .]" 1
1131 1 39 MET ME 1 71 ILE MD 2.300 . 3.000 2.643 1.655 3.034 0.034 14 0 "[ . 1 .]" 1
1132 1 44 PRO HB2 1 71 ILE MD 3.300 . 4.600 3.826 3.454 4.399 . 0 0 "[ . 1 .]" 1
1133 1 35 ILE MG 1 50 PHE QE 2.500 . 6.000 4.775 4.420 5.034 . 0 0 "[ . 1 .]" 1
1134 1 35 ILE MG 1 50 PHE HZ 2.700 . 6.000 5.963 5.799 6.110 0.110 11 0 "[ . 1 .]" 1
1135 1 35 ILE MG 1 64 PHE QE 2.300 . 6.000 3.211 2.964 3.460 . 0 0 "[ . 1 .]" 1
1136 1 35 ILE MG 1 50 PHE QD 3.200 . 6.000 5.287 4.916 5.641 . 0 0 "[ . 1 .]" 1
1137 1 43 LEU HA 1 71 ILE MG 2.400 . 3.100 2.540 2.197 2.827 . 0 0 "[ . 1 .]" 1
1138 1 44 PRO HA 1 71 ILE MG 2.800 . 6.000 4.204 3.858 4.525 . 0 0 "[ . 1 .]" 1
1139 1 71 ILE MG 1 72 ALA HA 3.000 . 4.100 3.774 3.551 3.999 . 0 0 "[ . 1 .]" 1
1140 1 64 PHE HZ 1 71 ILE MG 3.100 . 6.000 6.083 6.008 6.153 0.153 5 0 "[ . 1 .]" 1
1141 1 45 MET HA 1 71 ILE MG 2.800 . 3.800 2.993 2.355 3.368 . 0 0 "[ . 1 .]" 1
1142 1 35 ILE MG 1 36 LEU HA 3.000 . 4.100 3.707 3.573 3.875 . 0 0 "[ . 1 .]" 1
1143 1 35 ILE MG 1 39 MET HB3 2.500 . 3.300 2.722 2.462 2.990 . 0 0 "[ . 1 .]" 1
1144 1 31 MET HG3 1 35 ILE MG 3.200 . 4.500 2.738 2.508 3.035 . 0 0 "[ . 1 .]" 1
1145 1 31 MET HG2 1 35 ILE MG 3.300 . 4.700 3.099 2.844 3.464 . 0 0 "[ . 1 .]" 1
1146 1 32 PRO HD2 1 35 ILE MG 3.100 . 4.300 3.387 3.190 3.664 . 0 0 "[ . 1 .]" 1
1147 1 35 ILE MG 1 53 LEU MD1 2.300 . 2.900 2.542 2.055 2.773 . 0 0 "[ . 1 .]" 1
1148 1 50 PHE QE 1 56 VAL MG2 2.800 . 6.000 4.763 4.292 5.031 . 0 0 "[ . 1 .]" 1
1149 1 56 VAL MG2 1 64 PHE HZ 2.400 . 6.000 4.160 3.799 4.366 . 0 0 "[ . 1 .]" 1
1150 1 56 VAL MG2 1 60 TYR QD 2.800 . 6.000 4.871 4.215 5.580 . 0 0 "[ . 1 .]" 1
1151 1 23 MET HA 1 24 VAL MG1 2.600 . 6.000 5.422 5.259 5.534 . 0 0 "[ . 1 .]" 1
1152 1 24 VAL MG1 1 25 PRO HA 2.300 . 3.000 2.420 1.963 2.999 . 0 0 "[ . 1 .]" 1
1153 1 27 VAL MG2 1 30 PHE QE 2.900 . 6.000 3.698 2.942 4.437 . 0 0 "[ . 1 .]" 1
1154 1 27 VAL MG2 1 30 PHE QD 2.300 . 6.000 2.531 2.106 3.109 . 0 0 "[ . 1 .]" 1
1155 1 27 VAL MG1 1 30 PHE QD 2.400 . 6.000 3.163 2.580 3.848 . 0 0 "[ . 1 .]" 1
1156 1 27 VAL MG1 1 30 PHE QE 3.000 . 6.000 4.715 3.961 5.564 . 0 0 "[ . 1 .]" 1
1157 1 20 GLY HA3 1 27 VAL MG2 2.600 . 3.400 3.250 2.875 3.443 0.043 4 0 "[ . 1 .]" 1
1158 1 20 GLY HA3 1 27 VAL MG1 2.900 . 6.000 4.670 4.410 4.849 . 0 0 "[ . 1 .]" 1
1159 1 23 MET HB3 1 27 VAL MG2 2.700 . 3.600 2.409 2.171 2.797 . 0 0 "[ . 1 .]" 1
1160 1 27 VAL MG2 1 30 PHE HA 2.700 . 3.600 3.301 2.835 3.601 0.001 10 0 "[ . 1 .]" 1
1161 1 27 VAL MG1 1 30 PHE HA 2.400 . 3.100 2.388 1.896 2.698 . 0 0 "[ . 1 .]" 1
1162 1 20 GLY HA2 1 27 VAL MG2 2.500 . 3.300 1.992 1.694 2.292 0.006 1 0 "[ . 1 .]" 1
1163 1 20 GLY HA2 1 27 VAL MG1 2.900 . 6.000 4.192 3.927 4.479 . 0 0 "[ . 1 .]" 1
1164 1 35 ILE MD 1 56 VAL MG2 2.600 . 6.000 4.400 3.828 4.690 . 0 0 "[ . 1 .]" 1
1165 1 47 ASP HA 1 49 ALA MB 3.200 . 6.000 4.892 4.618 5.249 . 0 0 "[ . 1 .]" 1
1166 1 44 PRO HA 1 49 ALA MB 2.200 . 2.800 2.355 1.924 2.764 . 0 0 "[ . 1 .]" 1
1167 1 48 SER HB3 1 49 ALA MB 3.200 . 6.000 5.281 4.933 5.421 . 0 0 "[ . 1 .]" 1
1168 1 49 ALA MB 1 50 PHE HA 3.200 . 4.500 3.821 3.738 3.882 . 0 0 "[ . 1 .]" 1
1169 1 50 PHE HZ 1 56 VAL MG2 3.100 . 6.000 5.840 5.238 6.122 0.122 14 0 "[ . 1 .]" 1
1170 1 50 PHE QD 1 56 VAL MG2 3.300 . 4.700 3.796 3.357 4.364 . 0 0 "[ . 1 .]" 1
1171 1 24 VAL MG1 1 26 PRO HD3 2.800 . 6.000 3.315 2.607 3.951 . 0 0 "[ . 1 .]" 1
1172 1 24 VAL MG1 1 25 PRO HD2 2.900 . 6.000 4.470 4.190 4.814 . 0 0 "[ . 1 .]" 1
1173 1 23 MET HB2 1 27 VAL MG2 3.000 . 4.100 2.570 2.406 2.934 . 0 0 "[ . 1 .]" 1
1174 1 15 LEU MD2 1 19 LEU MD2 2.300 . 2.900 2.917 2.685 2.995 0.095 11 0 "[ . 1 .]" 1
1175 1 15 LEU MD2 1 19 LEU MD1 2.300 . 2.900 2.130 1.651 2.718 0.049 3 0 "[ . 1 .]" 1
1176 1 56 VAL MG1 1 60 TYR HB2 2.600 . 3.500 3.688 3.388 3.967 0.467 10 0 "[ . 1 .]" 1
1177 1 56 VAL MG1 1 60 TYR HB3 2.900 . 3.900 3.380 2.595 3.580 . 0 0 "[ . 1 .]" 1
1178 1 15 LEU QD 1 19 LEU MD2 2.300 . 6.000 2.780 2.603 2.871 . 0 0 "[ . 1 .]" 1
1179 1 19 LEU MD2 1 66 TYR HB2 3.100 . 4.300 4.085 3.839 4.256 . 0 0 "[ . 1 .]" 1
1180 1 19 LEU MD2 1 30 PHE QE 2.900 . 6.000 4.192 4.042 4.383 . 0 0 "[ . 1 .]" 1
1181 1 19 LEU MD2 1 30 PHE QD 3.300 . 6.000 5.245 4.968 5.434 . 0 0 "[ . 1 .]" 1
1182 1 19 LEU MD2 1 30 PHE HZ 3.300 . 4.700 3.964 3.607 4.359 . 0 0 "[ . 1 .]" 1
1183 1 50 PHE QE 1 56 VAL MG1 2.600 . 6.000 4.727 4.342 5.045 . 0 0 "[ . 1 .]" 1
1184 1 56 VAL MG1 1 64 PHE HZ 2.300 . 3.000 2.934 2.755 3.053 0.053 3 0 "[ . 1 .]" 1
1185 1 56 VAL MG1 1 60 TYR QD 2.400 . 6.000 3.822 2.946 4.495 . 0 0 "[ . 1 .]" 1
1186 1 13 ARG HA 1 36 LEU MD2 2.600 . 3.500 3.305 3.003 3.548 0.048 2 0 "[ . 1 .]" 1
1187 1 33 ASP HA 1 36 LEU MD2 2.900 . 6.000 4.518 4.318 4.766 . 0 0 "[ . 1 .]" 1
1188 1 16 SER HB2 1 36 LEU MD2 2.700 . 3.600 3.209 2.676 3.782 0.182 10 0 "[ . 1 .]" 1
1189 1 9 TYR QD 1 36 LEU MD2 2.900 . 6.000 4.461 4.063 4.767 . 0 0 "[ . 1 .]" 1
1190 1 31 MET HG3 1 36 LEU MD2 2.800 . 3.800 2.740 2.390 2.995 . 0 0 "[ . 1 .]" 1
1191 1 30 PHE QD 1 36 LEU MD2 3.300 . 4.700 4.287 4.120 4.478 . 0 0 "[ . 1 .]" 1
1192 1 36 LEU MD2 1 39 MET ME 2.100 . 2.700 2.600 2.276 2.775 0.075 4 0 "[ . 1 .]" 1
1193 1 59 LYS HG3 1 60 TYR QE 3.200 . 4.500 3.556 2.783 4.506 0.006 15 0 "[ . 1 .]" 1
1194 1 59 LYS HG3 1 60 TYR QD 3.100 . 4.300 3.295 1.980 4.335 0.035 15 0 "[ . 1 .]" 1
1195 1 59 LYS HG2 1 60 TYR QE 3.200 . 4.500 3.677 3.244 4.130 . 0 0 "[ . 1 .]" 1
1196 1 59 LYS HG2 1 60 TYR QD 3.200 . 4.500 2.702 1.937 3.245 . 0 0 "[ . 1 .]" 1
1197 1 8 THR HA 1 74 LEU MD2 2.200 . 2.800 1.839 1.535 2.176 0.065 9 0 "[ . 1 .]" 1
1198 1 43 LEU QD 1 71 ILE HA 2.400 . 3.100 2.556 2.339 2.974 . 0 0 "[ . 1 .]" 1
1199 1 19 LEU MD2 1 22 ARG HD2 3.200 . 4.500 4.088 2.732 5.322 0.822 4 2 "[ +. 1 - .]" 1
1200 1 8 THR HA 1 8 THR MG 2.000 . 2.500 2.289 2.130 2.475 . 0 0 "[ . 1 .]" 1
1201 1 8 THR MG 1 70 THR MG 2.700 . 6.000 4.704 4.150 5.081 . 0 0 "[ . 1 .]" 1
1202 1 8 THR MG 1 74 LEU MD2 2.200 . 2.800 2.498 1.986 2.826 0.026 9 0 "[ . 1 .]" 1
1203 1 8 THR MG 1 71 ILE MG 3.000 . 6.000 4.315 3.910 4.584 . 0 0 "[ . 1 .]" 1
1204 1 38 LYS HA 1 53 LEU MD2 3.000 . 4.200 3.891 3.770 4.081 . 0 0 "[ . 1 .]" 1
1205 1 50 PHE HA 1 53 LEU MD2 3.000 . 4.100 3.959 3.492 4.165 0.065 6 0 "[ . 1 .]" 1
1206 1 39 MET HA 1 53 LEU MD2 2.400 . 3.100 2.005 1.749 2.454 . 0 0 "[ . 1 .]" 1
1207 1 44 PRO HD3 1 53 LEU MD2 3.100 . 4.300 3.226 3.041 3.712 . 0 0 "[ . 1 .]" 1
1208 1 39 MET HB2 1 53 LEU MD2 3.000 . 4.100 3.176 2.831 3.543 . 0 0 "[ . 1 .]" 1
1209 1 38 LYS HB2 1 53 LEU MD2 2.500 . 3.300 1.957 1.869 2.035 . 0 0 "[ . 1 .]" 1
1210 1 42 ILE HB 1 53 LEU MD2 2.600 . 3.400 2.643 2.341 3.135 . 0 0 "[ . 1 .]" 1
1211 1 50 PHE QD 1 53 LEU MD2 2.700 . 6.000 3.632 3.333 3.820 . 0 0 "[ . 1 .]" 1
1212 1 50 PHE QE 1 53 LEU MD2 2.900 . 6.000 4.066 3.967 4.195 . 0 0 "[ . 1 .]" 1
1213 1 50 PHE HZ 1 53 LEU MD2 3.400 . 6.000 6.130 6.073 6.214 0.214 9 0 "[ . 1 .]" 1
1214 1 5 LEU MD2 1 8 THR HB 2.700 . 3.600 3.447 3.045 3.628 0.028 3 0 "[ . 1 .]" 1
1215 1 5 LEU QD 1 5 LEU HG 2.100 . 2.600 1.878 1.863 1.891 . 0 0 "[ . 1 .]" 1
1216 1 16 SER HA 1 17 LEU MD1 2.400 . 6.000 4.781 4.543 5.103 . 0 0 "[ . 1 .]" 1
1217 1 16 SER HB3 1 17 LEU MD1 2.400 . 3.100 3.242 2.832 4.014 0.914 8 4 "[* . + - *]" 1
1218 1 13 ARG HB2 1 17 LEU MD1 2.000 . 6.000 5.081 4.494 5.750 . 0 0 "[ . 1 .]" 1
1219 1 73 ASP HA 1 77 LYS HG2 3.100 . 4.300 4.340 4.295 4.415 0.115 10 0 "[ . 1 .]" 1
1220 1 73 ASP HA 1 77 LYS HG3 3.200 . 4.500 4.437 3.677 4.611 0.111 5 0 "[ . 1 .]" 1
1221 1 25 PRO HD3 1 25 PRO HG2 2.500 . 3.300 2.872 2.666 2.985 . 0 0 "[ . 1 .]" 1
1222 1 25 PRO HD3 1 25 PRO HG3 2.500 . 3.300 2.294 2.255 2.334 . 0 0 "[ . 1 .]" 1
1223 1 43 LEU QD 1 74 LEU HB2 2.400 . 3.100 2.096 1.818 2.431 . 0 0 "[ . 1 .]" 1
1224 1 44 PRO HG3 1 53 LEU MD1 2.900 . 4.000 3.392 2.849 3.718 . 0 0 "[ . 1 .]" 1
1225 1 39 MET HB2 1 53 LEU MD1 3.000 . 4.100 2.466 2.257 2.689 . 0 0 "[ . 1 .]" 1
1226 1 39 MET HA 1 53 LEU MD1 2.900 . 4.000 2.925 2.730 3.275 . 0 0 "[ . 1 .]" 1
1227 1 50 PHE HA 1 53 LEU MD1 2.700 . 3.600 3.216 2.696 3.501 . 0 0 "[ . 1 .]" 1
1228 1 44 PRO HD3 1 53 LEU MD1 3.300 . 4.600 3.974 3.620 4.344 . 0 0 "[ . 1 .]" 1
1229 1 39 MET HB3 1 53 LEU MD1 3.000 . 4.100 2.846 2.637 3.102 . 0 0 "[ . 1 .]" 1
1230 1 44 PRO HB2 1 53 LEU MD1 2.600 . 3.500 2.410 1.946 2.760 . 0 0 "[ . 1 .]" 1
1231 1 53 LEU MD1 1 56 VAL MG2 2.900 . 3.900 3.230 2.203 3.918 0.018 6 0 "[ . 1 .]" 1
1232 1 43 LEU QD 1 75 SER HA 2.300 . 2.900 1.996 1.722 2.334 . 0 0 "[ . 1 .]" 1
1233 1 8 THR MG 1 43 LEU QD 2.200 . 2.800 1.919 1.703 2.050 . 0 0 "[ . 1 .]" 1
1234 1 38 LYS HG2 1 53 LEU HA 3.300 . 6.000 5.307 4.641 5.640 . 0 0 "[ . 1 .]" 1
1235 1 35 ILE HA 1 38 LYS HG2 3.100 . 4.300 2.342 2.030 3.119 . 0 0 "[ . 1 .]" 1
1236 1 38 LYS HG3 1 53 LEU HA 3.400 . 4.900 4.383 3.749 4.853 . 0 0 "[ . 1 .]" 1
1237 1 35 ILE HA 1 38 LYS HG3 2.500 . 3.300 2.398 1.946 2.865 . 0 0 "[ . 1 .]" 1
1238 1 38 LYS HG2 1 53 LEU QD 3.000 . 4.100 3.660 3.296 4.155 0.055 4 0 "[ . 1 .]" 1
1239 1 38 LYS HG3 1 53 LEU MD2 3.000 . 6.000 2.560 1.958 3.486 . 0 0 "[ . 1 .]" 1
1240 1 12 LEU MD1 1 40 ALA HA 2.300 . 2.900 2.780 2.491 2.955 0.055 13 0 "[ . 1 .]" 1
1241 1 43 LEU HB3 1 43 LEU HG 2.600 . 3.400 3.012 2.993 3.028 . 0 0 "[ . 1 .]" 1
1242 1 9 TYR QD 1 36 LEU MD1 2.900 . 6.000 4.155 3.824 4.559 . 0 0 "[ . 1 .]" 1
1243 1 36 LEU MD1 1 67 PHE QE 3.000 . 6.000 4.659 4.331 4.895 . 0 0 "[ . 1 .]" 1
1244 1 9 TYR QE 1 36 LEU MD1 2.600 . 6.000 3.274 2.705 3.826 . 0 0 "[ . 1 .]" 1
1245 1 9 TYR QD 1 37 LYS HG2 3.100 . 4.300 3.441 2.904 3.834 . 0 0 "[ . 1 .]" 1
1246 1 9 TYR QE 1 37 LYS HG2 2.800 . 3.800 3.533 3.147 3.827 0.027 13 0 "[ . 1 .]" 1
1247 1 50 PHE HZ 1 53 LEU MD1 3.300 . 4.700 4.240 4.120 4.500 . 0 0 "[ . 1 .]" 1
1248 1 50 PHE QE 1 53 LEU MD1 2.700 . 3.600 2.281 1.962 2.590 . 0 0 "[ . 1 .]" 1
1249 1 50 PHE QD 1 53 LEU MD1 2.400 . 3.100 1.966 1.710 2.536 . 0 0 "[ . 1 .]" 1
1250 1 37 LYS HB2 1 37 LYS HG3 2.500 . 3.300 2.499 2.360 2.625 . 0 0 "[ . 1 .]" 1
1251 1 15 LEU MD1 1 19 LEU MD2 3.100 . 4.300 3.533 3.025 3.769 . 0 0 "[ . 1 .]" 1
1252 1 15 LEU MD1 1 67 PHE QD 2.300 . 2.900 2.117 1.977 2.241 . 0 0 "[ . 1 .]" 1
1253 1 15 LEU HG 1 19 LEU MD1 2.900 . 4.000 3.854 3.704 3.982 . 0 0 "[ . 1 .]" 1
1254 1 14 GLU HB3 1 15 LEU HG 3.200 . 6.000 5.260 5.144 5.398 . 0 0 "[ . 1 .]" 1
1255 1 15 LEU MD2 1 19 LEU HG 2.100 . 2.700 2.066 1.840 2.297 . 0 0 "[ . 1 .]" 1
1256 1 36 LEU HB2 1 36 LEU HG 2.900 . 4.000 2.551 2.506 2.611 . 0 0 "[ . 1 .]" 1
1257 1 15 LEU MD1 1 19 LEU MD1 2.100 . 2.700 1.744 1.535 1.994 . 0 0 "[ . 1 .]" 1
1258 1 19 LEU MD1 1 66 TYR HB2 2.800 . 3.800 2.959 2.767 3.267 . 0 0 "[ . 1 .]" 1
1259 1 19 LEU MD1 1 66 TYR HB3 2.600 . 3.500 2.078 1.776 2.566 . 0 0 "[ . 1 .]" 1
1260 1 16 SER HA 1 19 LEU MD1 2.800 . 3.700 3.627 3.419 3.757 0.057 12 0 "[ . 1 .]" 1
1261 1 19 LEU MD1 1 66 TYR HA 3.300 . 4.700 3.882 3.608 4.100 . 0 0 "[ . 1 .]" 1
1262 1 19 LEU MD1 1 30 PHE HZ 3.000 . 4.100 2.444 2.032 2.849 . 0 0 "[ . 1 .]" 1
1263 1 19 LEU MD1 1 30 PHE QD 2.800 . 3.800 3.396 2.998 3.714 . 0 0 "[ . 1 .]" 1
1264 1 19 LEU MD1 1 30 PHE QE 2.400 . 3.100 2.060 1.896 2.320 . 0 0 "[ . 1 .]" 1
1265 1 19 LEU MD1 1 66 TYR QD 2.400 . 6.000 3.739 3.401 4.118 . 0 0 "[ . 1 .]" 1
1266 1 21 ASN HA 1 26 PRO HG3 3.200 . 4.500 3.602 3.171 4.092 . 0 0 "[ . 1 .]" 1
1267 1 26 PRO HD3 1 26 PRO HG3 2.600 . 3.400 2.317 2.292 2.333 . 0 0 "[ . 1 .]" 1
1268 1 26 PRO HB2 1 26 PRO HG2 2.300 . 3.000 2.333 2.292 2.355 . 0 0 "[ . 1 .]" 1
1269 1 26 PRO HB2 1 26 PRO HG3 2.500 . 3.300 2.959 2.677 3.009 . 0 0 "[ . 1 .]" 1
1270 1 39 MET HA 1 44 PRO HG2 2.800 . 3.800 3.539 3.264 4.020 0.220 6 0 "[ . 1 .]" 1
1271 1 39 MET HA 1 44 PRO HG3 2.900 . 4.000 3.557 3.273 3.877 . 0 0 "[ . 1 .]" 1
1272 1 61 ARG HG2 1 64 PHE QE 3.200 . 6.000 4.313 3.226 5.852 . 0 0 "[ . 1 .]" 1
1273 1 61 ARG HG3 1 64 PHE QE 3.000 . 6.000 4.889 3.956 5.678 . 0 0 "[ . 1 .]" 1
1274 1 61 ARG HG3 1 64 PHE QD 2.900 . 6.000 3.721 2.349 4.614 . 0 0 "[ . 1 .]" 1
1275 1 61 ARG HG2 1 64 PHE QD 2.700 . 6.000 3.043 2.153 4.221 . 0 0 "[ . 1 .]" 1
1276 1 44 PRO HG2 1 50 PHE QD 2.900 . 4.000 2.252 1.861 2.565 . 0 0 "[ . 1 .]" 1
1277 1 44 PRO HG2 1 64 PHE HZ 3.200 . 6.000 4.505 4.148 4.903 . 0 0 "[ . 1 .]" 1
1278 1 32 PRO HB3 1 32 PRO HG2 2.500 . 3.300 2.669 2.646 2.720 . 0 0 "[ . 1 .]" 1
1279 1 63 ARG HB3 1 63 ARG HG2 2.300 . 3.000 2.887 2.284 2.999 . 0 0 "[ . 1 .]" 1
1280 1 32 PRO HG2 1 60 TYR QE 2.700 . 6.000 2.275 1.397 3.498 . 0 0 "[ . 1 .]" 1
1281 1 63 ARG HG2 1 66 TYR QE 3.000 . 6.000 5.308 4.613 5.947 . 0 0 "[ . 1 .]" 1
1282 1 63 ARG HG2 1 66 TYR QD 3.100 . 4.300 3.752 3.013 4.178 . 0 0 "[ . 1 .]" 1
1283 1 30 PHE HZ 1 63 ARG HG2 3.200 . 4.500 3.817 3.167 4.623 0.123 5 0 "[ . 1 .]" 1
1284 1 9 TYR QD 1 37 LYS HD2 2.700 . 6.000 5.336 5.040 5.839 . 0 0 "[ . 1 .]" 1
1285 1 9 TYR QE 1 37 LYS HD2 2.900 . 6.000 4.210 3.577 5.006 . 0 0 "[ . 1 .]" 1
1286 1 65 LYS HD2 1 66 TYR QE 3.200 . 6.000 4.079 2.764 5.376 . 0 0 "[ . 1 .]" 1
1287 1 65 LYS HD2 1 66 TYR QD 3.400 . 6.000 4.588 3.066 5.707 . 0 0 "[ . 1 .]" 1
1288 1 73 ASP HA 1 76 LYS HD2 3.000 . 6.000 4.086 2.711 5.582 . 0 0 "[ . 1 .]" 1
1289 1 38 LYS HD2 1 53 LEU HA 3.100 . 4.300 3.988 3.175 4.722 0.422 15 0 "[ . 1 .]" 1
1290 1 11 ARG HB2 1 74 LEU MD2 2.900 . 4.000 2.888 2.275 3.716 . 0 0 "[ . 1 .]" 1
1291 1 10 GLU HA 1 13 ARG HB3 2.900 . 4.000 2.836 2.410 3.418 . 0 0 "[ . 1 .]" 1
1292 1 10 GLU HA 1 13 ARG HB2 2.700 . 3.600 3.237 2.404 4.006 0.406 9 0 "[ . 1 .]" 1
1293 1 22 ARG HA 1 22 ARG HB3 2.600 . 3.500 2.985 2.951 3.025 . 0 0 "[ . 1 .]" 1
1294 1 22 ARG HB3 1 22 ARG HD2 2.700 . 3.600 2.985 1.914 3.742 0.142 4 0 "[ . 1 .]" 1
1295 1 57 GLU HB3 1 60 TYR QE 2.800 . 6.000 3.986 3.414 4.315 . 0 0 "[ . 1 .]" 1
1296 1 57 GLU HB3 1 60 TYR QD 2.500 . 3.300 2.857 1.699 3.567 0.267 1 0 "[ . 1 .]" 1
1297 1 57 GLU HB2 1 60 TYR QE 3.100 . 4.300 2.920 2.509 3.661 . 0 0 "[ . 1 .]" 1
1298 1 59 LYS HB3 1 59 LYS HG3 2.900 . 3.900 2.899 2.694 2.994 . 0 0 "[ . 1 .]" 1
1299 1 59 LYS HB3 1 59 LYS HE2 3.000 . 6.000 3.973 2.946 4.409 . 0 0 "[ . 1 .]" 1
1300 1 44 PRO HB3 1 50 PHE HA 3.200 . 4.500 2.975 2.369 3.462 . 0 0 "[ . 1 .]" 1
1301 1 44 PRO HB3 1 44 PRO HD3 3.400 . 4.800 3.973 3.776 4.052 . 0 0 "[ . 1 .]" 1
1302 1 44 PRO HB2 1 44 PRO HD3 3.300 . 4.700 3.981 3.897 4.089 . 0 0 "[ . 1 .]" 1
1303 1 44 PRO HB2 1 44 PRO HG3 2.900 . 3.900 2.948 2.863 2.987 . 0 0 "[ . 1 .]" 1
1304 1 42 ILE MG 1 44 PRO HB3 3.000 . 4.100 3.062 2.652 3.544 . 0 0 "[ . 1 .]" 1
1305 1 42 ILE MG 1 44 PRO HB2 2.800 . 6.000 4.162 3.941 4.497 . 0 0 "[ . 1 .]" 1
1306 1 7 MET HG2 1 11 ARG HB2 2.900 . 6.000 4.452 3.226 5.824 . 0 0 "[ . 1 .]" 1
1307 1 21 ASN HA 1 26 PRO HB2 2.500 . 6.000 3.838 2.541 4.472 . 0 0 "[ . 1 .]" 1
1308 1 21 ASN HA 1 26 PRO HB3 2.700 . 3.600 2.258 1.822 2.701 . 0 0 "[ . 1 .]" 1
1309 1 31 MET HG2 1 67 PHE QE 3.100 . 6.000 2.524 2.229 2.789 . 0 0 "[ . 1 .]" 1
1310 1 24 VAL HA 1 25 PRO HB3 3.100 . 6.000 4.130 3.959 4.279 . 0 0 "[ . 1 .]" 1
1311 1 25 PRO HB3 1 26 PRO HD3 3.100 . 4.300 3.707 3.389 4.274 . 0 0 "[ . 1 .]" 1
1312 1 25 PRO HB2 1 26 PRO HD3 3.200 . 4.500 3.764 3.187 4.163 . 0 0 "[ . 1 .]" 1
1313 1 25 PRO HB2 1 25 PRO HD2 2.700 . 6.000 3.696 2.938 4.044 . 0 0 "[ . 1 .]" 1
1314 1 39 MET HB3 1 50 PHE QE 3.100 . 6.000 4.621 4.436 4.830 . 0 0 "[ . 1 .]" 1
1315 1 39 MET HB2 1 50 PHE QE 3.100 . 4.300 3.131 2.916 3.355 . 0 0 "[ . 1 .]" 1
1316 1 23 MET HB3 1 30 PHE QD 3.100 . 6.000 5.526 5.053 5.753 . 0 0 "[ . 1 .]" 1
1317 1 23 MET HB3 1 30 PHE QE 3.000 . 6.000 5.903 5.468 6.075 0.075 13 0 "[ . 1 .]" 1
1318 1 23 MET HB2 1 30 PHE QD 3.200 . 6.000 4.814 4.161 5.090 . 0 0 "[ . 1 .]" 1
1319 1 23 MET HB2 1 30 PHE QE 3.100 . 6.000 4.965 3.953 5.552 . 0 0 "[ . 1 .]" 1
1320 1 20 GLY HA2 1 23 MET HB2 3.300 . 4.700 3.165 2.714 3.807 . 0 0 "[ . 1 .]" 1
1321 1 20 GLY HA2 1 23 MET HB3 3.300 . 4.600 4.035 3.461 4.387 . 0 0 "[ . 1 .]" 1
1322 1 20 GLY HA3 1 23 MET HB3 3.300 . 6.000 5.538 4.929 6.028 0.028 2 0 "[ . 1 .]" 1
1323 1 20 GLY HA3 1 23 MET HB2 3.500 . 5.000 4.773 4.270 5.485 0.485 1 0 "[ . 1 .]" 1
1324 1 20 GLY HA2 1 27 VAL HB 2.900 . 3.900 2.912 2.578 3.301 . 0 0 "[ . 1 .]" 1
1325 1 20 GLY HA3 1 27 VAL HB 3.100 . 4.300 3.223 2.852 3.547 . 0 0 "[ . 1 .]" 1
1326 1 27 VAL HB 1 30 PHE QD 2.700 . 6.000 3.273 2.930 3.602 . 0 0 "[ . 1 .]" 1
1327 1 56 VAL HB 1 60 TYR QD 2.700 . 6.000 3.807 3.140 4.578 . 0 0 "[ . 1 .]" 1
1328 1 35 ILE MD 1 56 VAL HB 3.000 . 4.100 3.979 3.478 4.154 0.054 3 0 "[ . 1 .]" 1
1329 1 36 LEU HA 1 39 MET HG3 3.000 . 4.100 4.037 3.615 4.174 0.074 3 0 "[ . 1 .]" 1
1330 1 36 LEU HA 1 39 MET HG2 2.800 . 3.800 2.594 2.101 3.280 . 0 0 "[ . 1 .]" 1
1331 1 39 MET ME 1 39 MET HG3 2.500 . 6.000 3.057 2.214 3.375 . 0 0 "[ . 1 .]" 1
1332 1 39 MET ME 1 39 MET HG2 2.600 . 3.400 2.598 2.244 3.375 . 0 0 "[ . 1 .]" 1
1333 1 39 MET HG2 1 53 LEU MD1 3.400 . 4.800 4.696 4.448 4.825 0.025 14 0 "[ . 1 .]" 1
1334 1 30 PHE QD 1 31 MET HB3 3.100 . 4.300 4.221 4.069 4.341 0.041 15 0 "[ . 1 .]" 1
1335 1 31 MET HB3 1 67 PHE HZ 3.000 . 4.200 3.413 3.143 3.795 . 0 0 "[ . 1 .]" 1
1336 1 31 MET HB3 1 67 PHE QE 3.100 . 6.000 2.648 2.222 3.007 . 0 0 "[ . 1 .]" 1
1337 1 30 PHE QD 1 31 MET HB2 3.100 . 4.300 3.323 3.138 3.458 . 0 0 "[ . 1 .]" 1
1338 1 31 MET HB2 1 67 PHE HZ 3.000 . 4.200 3.208 3.064 3.462 . 0 0 "[ . 1 .]" 1
1339 1 31 MET HB2 1 67 PHE QE 3.000 . 6.000 1.467 1.272 1.622 . 0 0 "[ . 1 .]" 1
1340 1 60 TYR HB2 1 60 TYR QD 2.500 . 6.000 2.426 2.276 2.681 . 0 0 "[ . 1 .]" 1
1341 1 60 TYR HB3 1 60 TYR QD 2.500 . 3.300 2.486 2.269 2.764 . 0 0 "[ . 1 .]" 1
1342 1 66 TYR HB2 1 66 TYR QD 2.400 . 6.000 2.295 2.247 2.352 . 0 0 "[ . 1 .]" 1
1343 1 66 TYR HB3 1 66 TYR QD 2.400 . 3.100 2.606 2.433 2.745 . 0 0 "[ . 1 .]" 1
1344 1 47 ASP HA 1 50 PHE HB3 3.000 . 4.100 3.890 3.076 4.136 0.036 13 0 "[ . 1 .]" 1
1345 1 50 PHE HB3 1 64 PHE QD 3.000 . 6.000 5.112 4.719 5.325 . 0 0 "[ . 1 .]" 1
1346 1 50 PHE HB3 1 64 PHE QE 3.100 . 6.000 4.358 4.173 4.590 . 0 0 "[ . 1 .]" 1
1347 1 50 PHE HB2 1 50 PHE QD 2.400 . 6.000 2.360 2.251 2.459 . 0 0 "[ . 1 .]" 1
1348 1 50 PHE HB2 1 64 PHE QD 3.000 . 6.000 5.970 5.665 6.117 0.117 2 0 "[ . 1 .]" 1
1349 1 50 PHE HB2 1 64 PHE QE 3.100 . 6.000 5.641 5.413 5.838 . 0 0 "[ . 1 .]" 1
1350 1 9 TYR HB3 1 40 ALA MB 2.800 . 6.000 3.792 3.270 4.158 . 0 0 "[ . 1 .]" 1
1351 1 9 TYR HB2 1 40 ALA MB 3.000 . 4.100 2.604 2.226 2.925 . 0 0 "[ . 1 .]" 1
1352 1 64 PHE HB2 1 64 PHE QD 2.300 . 6.000 2.333 2.265 2.486 . 0 0 "[ . 1 .]" 1
1353 1 50 PHE QD 1 64 PHE HB3 3.100 . 6.000 4.876 4.507 5.305 . 0 0 "[ . 1 .]" 1
1354 1 50 PHE QD 1 64 PHE HB2 3.100 . 6.000 5.600 4.992 6.000 . 0 0 "[ . 1 .]" 1
1355 1 57 GLU HG2 1 59 LYS HG2 3.500 . 5.100 4.372 2.343 5.862 0.762 8 3 "[ . *+ 1 -.]" 1
1356 1 57 GLU HG2 1 60 TYR QE 2.600 . 6.000 4.755 4.107 5.543 . 0 0 "[ . 1 .]" 1
1357 1 6 ARG HA 1 9 TYR HB2 3.000 . 6.000 3.858 3.439 4.385 . 0 0 "[ . 1 .]" 1
1358 1 6 ARG HA 1 9 TYR HB3 3.000 . 4.200 2.738 2.407 3.014 . 0 0 "[ . 1 .]" 1
1359 1 43 LEU HB2 1 71 ILE MG 2.900 . 6.000 4.388 4.202 4.619 . 0 0 "[ . 1 .]" 1
1360 1 30 PHE HB2 1 30 PHE QD 2.600 . 3.400 2.689 2.620 2.734 . 0 0 "[ . 1 .]" 1
1361 1 20 GLY HA2 1 30 PHE HB3 3.500 . 5.100 4.753 4.374 5.001 . 0 0 "[ . 1 .]" 1
1362 1 30 PHE HB3 1 30 PHE QD 2.500 . 3.300 2.268 2.226 2.318 . 0 0 "[ . 1 .]" 1
1363 1 19 LEU HB2 1 19 LEU HG 3.000 . 4.100 2.564 2.472 2.651 . 0 0 "[ . 1 .]" 1
1364 1 16 SER HA 1 19 LEU HB2 3.100 . 4.300 3.284 2.943 3.564 . 0 0 "[ . 1 .]" 1
1365 1 60 TYR HA 1 60 TYR QD 2.300 . 6.000 2.642 1.840 3.111 . 0 0 "[ . 1 .]" 1
1366 1 64 PHE HA 1 64 PHE QD 2.100 . 2.700 2.026 1.550 2.405 . 0 0 "[ . 1 .]" 1
1367 1 66 TYR HA 1 66 TYR QD 2.100 . 6.000 2.438 2.062 2.809 . 0 0 "[ . 1 .]" 1
1368 1 9 TYR HA 1 9 TYR QD 2.500 . 3.300 2.848 2.647 3.010 . 0 0 "[ . 1 .]" 1
1369 1 9 TYR HA 1 9 TYR QE 3.000 . 6.000 4.765 4.678 4.969 . 0 0 "[ . 1 .]" 1
1370 1 30 PHE HA 1 30 PHE QD 2.400 . 6.000 2.204 2.040 2.447 . 0 0 "[ . 1 .]" 1
1371 1 30 PHE HA 1 30 PHE QE 3.000 . 6.000 4.412 4.289 4.629 . 0 0 "[ . 1 .]" 1
1372 1 50 PHE HA 1 50 PHE QD 2.300 . 3.000 1.754 1.553 2.179 0.047 8 0 "[ . 1 .]" 1
1373 1 50 PHE HA 1 50 PHE QE 3.200 . 4.500 3.982 3.895 4.126 . 0 0 "[ . 1 .]" 1
1374 1 50 PHE QD 1 61 ARG HA 3.200 . 6.000 5.298 4.616 5.894 . 0 0 "[ . 1 .]" 1
1375 1 50 PHE QE 1 61 ARG HA 2.600 . 6.000 5.039 4.454 5.529 . 0 0 "[ . 1 .]" 1
1376 1 61 ARG HA 1 64 PHE QE 2.800 . 6.000 3.911 3.351 4.348 . 0 0 "[ . 1 .]" 1
1377 1 50 PHE HZ 1 61 ARG HA 3.200 . 6.000 5.980 5.695 6.117 0.117 9 0 "[ . 1 .]" 1
1378 1 50 PHE HZ 1 71 ILE MG 3.500 . 5.000 4.024 3.700 4.415 . 0 0 "[ . 1 .]" 1
1379 1 59 LYS HE2 1 60 TYR QE 2.300 . 6.000 3.366 2.025 5.179 . 0 0 "[ . 1 .]" 1
1380 1 65 LYS HE3 1 66 TYR QE 2.400 . 6.000 3.702 2.791 5.240 . 0 0 "[ . 1 .]" 1
1381 1 59 LYS HE2 1 60 TYR QD 2.900 . 6.000 4.310 3.137 5.686 . 0 0 "[ . 1 .]" 1
1382 1 9 TYR QD 1 36 LEU HB2 2.900 . 3.900 3.343 2.980 3.792 . 0 0 "[ . 1 .]" 1
1383 1 70 THR HA 1 73 ASP QB 2.300 . 3.000 2.678 2.424 2.867 . 0 0 "[ . 1 .]" 1
1384 1 9 TYR QD 1 36 LEU HB3 2.900 . 4.000 2.833 2.413 3.304 . 0 0 "[ . 1 .]" 1
1385 1 9 TYR HA 1 12 LEU HB2 2.800 . 3.800 2.605 2.447 2.885 . 0 0 "[ . 1 .]" 1
1386 1 36 LEU HB3 1 36 LEU HG 2.600 . 3.500 3.012 3.000 3.020 . 0 0 "[ . 1 .]" 1
1387 1 39 MET HA 1 42 ILE HB 2.800 . 3.800 3.313 3.164 3.462 . 0 0 "[ . 1 .]" 1
1388 1 15 LEU HB2 1 15 LEU HG 3.000 . 4.200 2.230 2.219 2.260 . 0 0 "[ . 1 .]" 1
1389 1 15 LEU HB3 1 15 LEU HG 2.900 . 3.900 2.897 2.835 2.940 . 0 0 "[ . 1 .]" 1
1390 1 15 LEU HB3 1 36 LEU MD2 3.100 . 6.000 5.031 4.840 5.242 . 0 0 "[ . 1 .]" 1
1391 1 15 LEU HB2 1 67 PHE QD 2.900 . 6.000 4.374 4.173 4.586 . 0 0 "[ . 1 .]" 1
1392 1 15 LEU HB3 1 67 PHE QD 3.100 . 4.300 3.489 3.353 3.608 . 0 0 "[ . 1 .]" 1
1393 1 14 GLU HA 1 17 LEU HB3 2.900 . 6.000 4.284 4.046 4.707 . 0 0 "[ . 1 .]" 1
1394 1 13 ARG HD2 1 13 ARG HG2 2.400 . 3.100 2.882 2.524 3.014 . 0 0 "[ . 1 .]" 1
1395 1 13 ARG HB2 1 13 ARG HD2 2.600 . 3.400 2.819 2.056 3.480 0.080 12 0 "[ . 1 .]" 1
1396 1 9 TYR QD 1 13 ARG HD3 3.000 . 6.000 4.699 3.741 6.106 0.106 1 0 "[ . 1 .]" 1
1397 1 9 TYR QD 1 13 ARG HD2 3.100 . 6.000 5.058 4.295 5.897 . 0 0 "[ . 1 .]" 1
1398 1 63 ARG HB2 1 63 ARG QD 3.100 . 4.300 3.186 2.187 3.524 . 0 0 "[ . 1 .]" 1
1399 1 63 ARG HB3 1 63 ARG QD 2.800 . 3.600 2.417 1.987 3.244 . 0 0 "[ . 1 .]" 1
1400 1 63 ARG QD 1 63 ARG HG2 3.100 . 4.200 2.187 2.125 2.380 . 0 0 "[ . 1 .]" 1
1401 1 20 GLY HA3 1 30 PHE QD 2.700 . 6.000 4.076 3.727 4.305 . 0 0 "[ . 1 .]" 1
1402 1 20 GLY HA2 1 30 PHE QD 2.800 . 6.000 3.262 2.640 3.555 . 0 0 "[ . 1 .]" 1
1403 1 20 GLY HA3 1 30 PHE HB2 3.400 . 4.900 2.603 2.377 2.789 . 0 0 "[ . 1 .]" 1
1404 1 20 GLY HA3 1 30 PHE HB3 3.100 . 4.300 4.188 3.898 4.351 0.051 8 0 "[ . 1 .]" 1
1405 1 20 GLY HA2 1 30 PHE HB2 3.400 . 4.800 3.067 2.641 3.342 . 0 0 "[ . 1 .]" 1
1406 1 31 MET HA 1 32 PRO HD3 2.500 . 3.300 1.910 1.804 1.974 . 0 0 "[ . 1 .]" 1
1407 1 31 MET HA 1 32 PRO HD2 2.700 . 3.600 2.588 2.456 2.767 . 0 0 "[ . 1 .]" 1
1408 1 32 PRO HD3 1 60 TYR QE 2.800 . 6.000 2.904 1.908 3.799 . 0 0 "[ . 1 .]" 1
1409 1 32 PRO HD2 1 60 TYR QE 2.900 . 6.000 3.236 2.264 4.659 . 0 0 "[ . 1 .]" 1
1410 1 32 PRO HD3 1 60 TYR QD 3.000 . 6.000 3.633 3.083 4.165 . 0 0 "[ . 1 .]" 1
1411 1 32 PRO HD2 1 60 TYR QD 3.100 . 6.000 3.531 2.953 4.749 . 0 0 "[ . 1 .]" 1
1412 1 32 PRO HB3 1 32 PRO HD2 3.400 . 4.900 3.891 3.875 3.914 . 0 0 "[ . 1 .]" 1
1413 1 25 PRO HA 1 26 PRO HD3 2.400 . 3.100 2.065 1.905 2.533 . 0 0 "[ . 1 .]" 1
1414 1 31 MET HA 1 60 TYR QE 2.800 . 6.000 4.415 3.247 5.189 . 0 0 "[ . 1 .]" 1
1415 1 31 MET HA 1 60 TYR QD 2.700 . 6.000 4.322 3.595 5.048 . 0 0 "[ . 1 .]" 1
1416 1 26 PRO HD2 1 26 PRO HG3 2.400 . 3.100 2.953 2.685 3.006 . 0 0 "[ . 1 .]" 1
1417 1 24 VAL HA 1 25 PRO HD2 3.000 . 6.000 4.512 4.462 4.567 . 0 0 "[ . 1 .]" 1
1418 1 24 VAL HA 1 26 PRO HD3 2.800 . 6.000 2.634 2.331 3.133 . 0 0 "[ . 1 .]" 1
1419 1 31 MET HA 1 32 PRO HG2 3.500 . 5.000 4.411 4.373 4.469 . 0 0 "[ . 1 .]" 1
1420 1 8 THR MG 1 40 ALA HA 2.200 . 2.800 2.019 1.588 2.310 0.012 9 0 "[ . 1 .]" 1
1421 1 43 LEU HA 1 44 PRO HD3 2.700 . 3.600 2.334 2.237 2.516 . 0 0 "[ . 1 .]" 1
1422 1 5 LEU QD 1 41 ALA HA 2.200 . 2.800 1.955 1.595 2.426 0.005 11 0 "[ . 1 .]" 1
1423 1 21 ASN HA 1 26 PRO HG2 3.200 . 4.500 4.519 4.231 4.596 0.096 8 0 "[ . 1 .]" 1
1424 1 19 LEU HA 1 22 ARG HB3 3.000 . 4.100 2.593 2.058 3.117 . 0 0 "[ . 1 .]" 1
1425 1 47 ASP HA 1 50 PHE QD 2.800 . 6.000 2.093 1.210 2.803 . 0 0 "[ . 1 .]" 1
1426 1 9 TYR QD 1 37 LYS HA 2.300 . 3.000 2.507 2.185 2.685 . 0 0 "[ . 1 .]" 1
1427 1 37 LYS HA 1 40 ALA MB 2.500 . 3.300 2.783 2.616 3.100 . 0 0 "[ . 1 .]" 1
1428 1 24 VAL HA 1 25 PRO HA 2.200 . 2.800 1.919 1.751 2.080 . 0 0 "[ . 1 .]" 1
1429 1 16 SER HA 1 67 PHE HZ 2.600 . 3.400 2.856 2.655 3.073 . 0 0 "[ . 1 .]" 1
1430 1 16 SER HA 1 30 PHE QE 3.200 . 4.500 3.465 3.235 3.921 . 0 0 "[ . 1 .]" 1
1431 1 16 SER HB3 1 67 PHE QE 2.700 . 6.000 4.627 4.116 4.906 . 0 0 "[ . 1 .]" 1
1432 1 16 SER HB2 1 67 PHE QE 3.000 . 4.200 4.195 3.294 4.820 0.620 10 4 "[- . * + *]" 1
1433 1 16 SER HB2 1 36 LEU MD1 2.900 . 3.900 3.331 2.976 3.758 . 0 0 "[ . 1 .]" 1
1434 1 16 SER HB3 1 36 LEU MD2 2.800 . 3.800 3.815 3.658 3.959 0.159 6 0 "[ . 1 .]" 1
1435 1 12 LEU MD2 1 70 THR HB 2.900 . 3.900 3.467 2.661 3.939 0.039 1 0 "[ . 1 .]" 1
1436 1 15 LEU MD1 1 70 THR HB 2.500 . 3.300 3.235 2.680 3.403 0.103 9 0 "[ . 1 .]" 1
1437 1 8 THR HB 1 74 LEU MD2 3.400 . 4.800 4.079 3.783 4.461 . 0 0 "[ . 1 .]" 1
1438 1 8 THR HB 1 40 ALA MB 2.600 . 3.400 2.325 1.968 2.932 . 0 0 "[ . 1 .]" 1
1439 1 5 LEU HA 1 8 THR HB 2.400 . 3.100 2.875 2.532 3.172 0.072 15 0 "[ . 1 .]" 1
1440 1 67 PHE QD 1 70 THR MG 3.100 . 4.300 3.676 3.007 4.150 . 0 0 "[ . 1 .]" 1
1441 1 8 THR HA 1 11 ARG HB3 3.100 . 4.300 3.317 2.854 3.828 . 0 0 "[ . 1 .]" 1
1442 1 8 THR HA 1 74 LEU MD1 2.700 . 3.600 2.506 1.931 2.981 . 0 0 "[ . 1 .]" 1
1443 1 71 ILE HA 1 74 LEU HB2 3.000 . 4.100 2.875 2.428 3.147 . 0 0 "[ . 1 .]" 1
1444 1 71 ILE HA 1 74 LEU MD2 2.800 . 6.000 5.069 4.468 5.513 . 0 0 "[ . 1 .]" 1
1445 1 71 ILE HA 1 74 LEU MD1 2.400 . 3.100 2.736 2.109 3.139 0.039 10 0 "[ . 1 .]" 1
1446 1 71 ILE HA 1 71 ILE HG13 2.600 . 3.500 2.969 2.873 3.076 . 0 0 "[ . 1 .]" 1
1447 1 16 SER HB2 1 67 PHE HZ 2.900 . 4.000 3.041 1.947 3.762 . 0 0 "[ . 1 .]" 1
1448 1 13 ARG HA 1 16 SER HB3 2.700 . 3.600 3.612 2.024 4.546 0.946 1 4 "[+ . - * *]" 1
1449 1 13 ARG HA 1 16 SER HB2 2.700 . 6.000 2.630 2.117 3.494 . 0 0 "[ . 1 .]" 1
1450 1 55 THR HA 1 56 VAL MG2 3.300 . 4.700 3.903 3.504 4.807 0.107 14 0 "[ . 1 .]" 1
1451 1 26 PRO HA 1 26 PRO HD2 3.400 . 4.900 3.939 3.902 4.076 . 0 0 "[ . 1 .]" 1
1452 1 23 MET QG 1 26 PRO HA 2.600 . 6.000 4.805 3.773 5.512 . 0 0 "[ . 1 .]" 1
1453 1 54 GLY HA3 1 55 THR HA 3.000 . 6.000 4.649 4.251 5.320 . 0 0 "[ . 1 .]" 1
1454 1 26 PRO HA 1 27 VAL MG2 3.200 . 4.500 3.260 3.024 3.454 . 0 0 "[ . 1 .]" 1
1455 1 50 PHE HB3 1 50 PHE QD 2.500 . 3.300 2.734 2.647 2.763 . 0 0 "[ . 1 .]" 1
1456 1 50 PHE HA 1 53 LEU HG 2.800 . 3.700 2.486 2.110 2.913 . 0 0 "[ . 1 .]" 1
1457 1 44 PRO HB2 1 50 PHE HA 2.900 . 3.900 3.226 2.614 3.847 . 0 0 "[ . 1 .]" 1
1458 1 30 PHE QE 1 66 TYR QD 2.300 . 6.000 2.946 2.359 3.532 . 0 0 "[ . 1 .]" 1
1459 1 64 PHE HB3 1 64 PHE QD 2.600 . 3.400 2.742 2.698 2.759 . 0 0 "[ . 1 .]" 1
1460 1 57 GLU HB2 1 60 TYR QD 2.700 . 3.600 2.091 1.694 2.827 0.106 13 0 "[ . 1 .]" 1
1461 1 63 ARG HB3 1 66 TYR QD 3.100 . 4.300 3.807 3.205 4.200 . 0 0 "[ . 1 .]" 1
1462 1 35 ILE HA 1 38 LYS HD2 3.100 . 4.300 2.097 1.890 2.332 0.010 8 0 "[ . 1 .]" 1
1463 1 35 ILE HA 1 53 LEU MD2 3.200 . 4.500 4.444 4.197 4.541 0.041 5 0 "[ . 1 .]" 1
1464 1 35 ILE HA 1 53 LEU HB3 3.000 . 6.000 4.805 4.157 5.182 . 0 0 "[ . 1 .]" 1
1465 1 39 MET ME 1 64 PHE HA 3.000 . 4.100 4.116 3.651 4.248 0.148 14 0 "[ . 1 .]" 1
1466 1 4 ASN HA 1 7 MET HB2 2.800 . 3.800 3.070 2.486 3.863 0.063 15 0 "[ . 1 .]" 1
1467 1 42 ILE MD 1 53 LEU HA 2.900 . 3.900 3.451 2.819 3.938 0.038 14 0 "[ . 1 .]" 1
1468 1 45 MET ME 1 72 ALA HA 2.400 . 3.100 2.853 2.384 3.141 0.041 9 0 "[ . 1 .]" 1
1469 1 16 SER HB3 1 67 PHE HZ 2.800 . 3.800 3.703 3.273 3.904 0.104 3 0 "[ . 1 .]" 1
1470 1 24 VAL MG1 1 25 PRO HD3 3.300 . 4.700 3.600 3.349 3.967 . 0 0 "[ . 1 .]" 1
1471 1 56 VAL MG2 1 61 ARG HA 2.800 . 3.800 3.803 3.520 3.915 0.115 1 0 "[ . 1 .]" 1
1472 1 56 VAL MG2 1 60 TYR HB2 3.200 . 4.500 3.817 3.312 4.507 0.007 15 0 "[ . 1 .]" 1
1473 1 56 VAL MG2 1 61 ARG HB2 3.200 . 4.500 4.245 3.380 4.894 0.394 5 0 "[ . 1 .]" 1
1474 1 7 MET HA 1 10 GLU HB3 2.600 . 6.000 3.491 2.222 4.377 . 0 0 "[ . 1 .]" 1
1475 1 7 MET HA 1 10 GLU HB2 2.400 . 3.100 2.802 2.020 4.098 0.998 1 3 "[+ *- 1 .]" 1
1476 1 8 THR HA 1 11 ARG HB2 2.800 . 3.800 3.457 2.969 3.828 0.028 5 0 "[ . 1 .]" 1
1477 1 16 SER HB3 1 36 LEU MD1 2.800 . 3.800 3.614 3.145 3.935 0.135 1 0 "[ . 1 .]" 1
1478 1 13 ARG HA 1 36 LEU MD1 2.400 . 3.100 2.726 2.167 3.098 . 0 0 "[ . 1 .]" 1
1479 1 14 GLU HA 1 17 LEU HB2 2.700 . 3.600 2.956 2.703 3.264 . 0 0 "[ . 1 .]" 1
1480 1 16 SER HA 1 19 LEU HB3 3.600 . 5.200 4.917 4.415 5.269 0.069 6 0 "[ . 1 .]" 1
1481 1 33 ASP HA 1 36 LEU HB2 2.700 . 3.600 2.576 2.219 2.867 . 0 0 "[ . 1 .]" 1
1482 1 33 ASP HA 1 36 LEU HB3 3.200 . 4.400 4.126 3.788 4.415 0.015 13 0 "[ . 1 .]" 1
1483 1 33 ASP HA 1 36 LEU MD1 2.400 . 3.100 1.980 1.681 2.168 0.019 9 0 "[ . 1 .]" 1
1484 1 36 LEU HA 1 39 MET HB3 2.900 . 3.900 3.389 3.152 3.789 . 0 0 "[ . 1 .]" 1
1485 1 9 TYR HB3 1 37 LYS HA 3.400 . 6.000 5.208 4.619 5.753 . 0 0 "[ . 1 .]" 1
1486 1 39 MET HA 1 42 ILE MG 3.000 . 4.100 4.076 3.826 4.169 0.069 2 0 "[ . 1 .]" 1
1487 1 47 ASP HA 1 50 PHE HB2 2.400 . 3.100 2.366 1.698 2.742 0.002 11 0 "[ . 1 .]" 1
1488 1 48 SER HA 1 51 ALA MB 2.600 . 6.000 3.584 3.037 4.345 . 0 0 "[ . 1 .]" 1
1489 1 66 TYR HA 1 66 TYR QE 3.100 . 6.000 4.477 4.354 4.630 . 0 0 "[ . 1 .]" 1
1490 1 73 ASP HA 1 76 LYS HB2 2.600 . 3.400 3.047 2.460 4.243 0.843 14 1 "[ . 1 +.]" 1
1491 1 30 PHE QE 1 63 ARG HB3 3.400 . 6.000 3.901 3.093 4.821 . 0 0 "[ . 1 .]" 1
1492 1 30 PHE QD 1 63 ARG HB2 3.200 . 6.000 4.370 3.369 5.289 . 0 0 "[ . 1 .]" 1
1493 1 30 PHE QE 1 63 ARG HB2 3.200 . 6.000 2.841 1.948 4.814 . 0 0 "[ . 1 .]" 1
1494 1 60 TYR HA 1 63 ARG QD 3.500 . 4.500 2.316 1.891 3.138 0.109 12 0 "[ . 1 .]" 1
1495 1 30 PHE QD 1 63 ARG QD 2.800 . 6.000 4.903 4.600 5.204 . 0 0 "[ . 1 .]" 1
1496 1 63 ARG HA 1 63 ARG QD 3.700 . 5.000 3.773 3.154 4.055 . 0 0 "[ . 1 .]" 1
1497 1 63 ARG QD 1 65 LYS HG2 3.500 . 6.000 5.991 5.510 6.913 0.913 11 2 "[ - . 1+ .]" 1
1498 1 39 MET HB3 1 39 MET ME 2.100 . 6.000 2.747 2.478 2.998 . 0 0 "[ . 1 .]" 1
1499 1 39 MET HB2 1 39 MET ME 2.800 . 3.800 2.886 2.680 3.093 . 0 0 "[ . 1 .]" 1
1500 1 36 LEU MD1 1 39 MET ME 2.100 . 6.000 4.874 4.508 5.059 . 0 0 "[ . 1 .]" 1
1501 1 12 LEU MD1 1 39 MET ME 2.400 . 6.000 3.252 2.979 3.495 . 0 0 "[ . 1 .]" 1
1502 1 39 MET ME 1 67 PHE HB2 2.900 . 3.900 3.337 3.050 3.600 . 0 0 "[ . 1 .]" 1
1503 1 39 MET ME 1 67 PHE HB3 2.900 . 3.900 3.109 2.724 3.393 . 0 0 "[ . 1 .]" 1
1504 1 36 LEU HA 1 39 MET ME 2.700 . 3.600 3.113 2.678 3.510 . 0 0 "[ . 1 .]" 1
1505 1 63 ARG HA 1 66 TYR QE 2.400 . 3.100 2.812 2.378 3.062 . 0 0 "[ . 1 .]" 1
1506 1 63 ARG HA 1 66 TYR QD 2.200 . 2.800 2.226 1.593 2.770 0.007 6 0 "[ . 1 .]" 1
1507 1 63 ARG HB3 1 66 TYR QE 3.100 . 6.000 4.262 3.437 5.049 . 0 0 "[ . 1 .]" 1
1508 1 60 TYR HA 1 60 TYR QE 3.300 . 6.000 4.491 4.176 4.651 . 0 0 "[ . 1 .]" 1
1509 1 30 PHE HZ 1 66 TYR QD 2.500 . 6.000 2.819 2.397 3.282 . 0 0 "[ . 1 .]" 1
1510 1 39 MET ME 1 50 PHE QE 2.700 . 6.000 3.999 3.697 4.225 . 0 0 "[ . 1 .]" 1
1511 1 16 SER HA 1 30 PHE QD 2.700 . 6.000 1.580 1.395 1.751 . 0 0 "[ . 1 .]" 1
1512 1 31 MET ME 1 50 PHE HZ 3.400 . 6.000 5.033 4.720 5.239 . 0 0 "[ . 1 .]" 1
1513 1 30 PHE QE 1 66 TYR HB3 3.400 . 4.800 3.673 3.287 4.148 . 0 0 "[ . 1 .]" 1
1514 1 30 PHE QE 1 66 TYR HB2 3.200 . 4.500 3.183 2.968 3.392 . 0 0 "[ . 1 .]" 1
1515 1 64 PHE HA 1 64 PHE QE 3.000 . 6.000 4.078 3.917 4.230 . 0 0 "[ . 1 .]" 1
1516 1 9 TYR QD 1 37 LYS HG3 2.700 . 3.600 3.015 2.636 3.449 . 0 0 "[ . 1 .]" 1
1517 1 9 TYR QE 1 37 LYS HG3 2.700 . 3.600 2.211 1.894 2.531 . 0 0 "[ . 1 .]" 1
1518 1 9 TYR QE 1 33 ASP HA 3.000 . 4.200 3.259 2.728 3.848 . 0 0 "[ . 1 .]" 1
1519 1 6 ARG HA 1 9 TYR QD 2.700 . 6.000 3.986 2.850 4.659 . 0 0 "[ . 1 .]" 1
1520 1 9 TYR QE 1 36 LEU HA 3.400 . 6.000 5.060 4.614 5.473 . 0 0 "[ . 1 .]" 1
1521 1 9 TYR QE 1 37 LYS HA 3.100 . 4.300 3.768 3.270 4.201 . 0 0 "[ . 1 .]" 1
1522 1 9 TYR QE 1 13 ARG HD3 3.000 . 6.000 3.639 2.453 5.049 . 0 0 "[ . 1 .]" 1
1523 1 9 TYR QE 1 13 ARG HD2 2.900 . 6.000 3.798 2.878 4.631 . 0 0 "[ . 1 .]" 1
1524 1 9 TYR QE 1 36 LEU HB2 2.500 . 3.300 2.485 1.895 2.971 . 0 0 "[ . 1 .]" 1
1525 1 9 TYR QE 1 40 ALA MB 3.000 . 6.000 4.952 4.777 5.098 . 0 0 "[ . 1 .]" 1
1526 1 9 TYR QE 1 36 LEU HB3 2.700 . 3.600 3.199 2.772 3.560 . 0 0 "[ . 1 .]" 1
1527 1 9 TYR HB2 1 9 TYR QD 2.400 . 3.100 2.471 2.399 2.535 . 0 0 "[ . 1 .]" 1
1528 1 9 TYR HB3 1 9 TYR QD 2.400 . 6.000 2.345 2.303 2.410 . 0 0 "[ . 1 .]" 1
1529 1 61 ARG HA 1 64 PHE QD 3.100 . 6.000 1.670 1.320 2.054 . 0 0 "[ . 1 .]" 1
1530 1 31 MET ME 1 64 PHE QD 2.700 . 3.600 2.819 2.470 2.958 . 0 0 "[ . 1 .]" 1
1531 1 39 MET ME 1 64 PHE QD 2.600 . 3.500 2.964 2.544 3.168 . 0 0 "[ . 1 .]" 1
1532 1 9 TYR QD 1 33 ASP HA 2.900 . 6.000 5.221 4.814 5.655 . 0 0 "[ . 1 .]" 1
1533 1 39 MET ME 1 64 PHE HZ 3.200 . 4.500 3.098 2.747 3.432 . 0 0 "[ . 1 .]" 1
1534 1 39 MET ME 1 64 PHE QE 2.300 . 3.000 1.668 1.510 1.834 0.090 7 0 "[ . 1 .]" 1
1535 1 30 PHE QD 1 63 ARG HG2 3.000 . 6.000 4.274 2.835 5.064 . 0 0 "[ . 1 .]" 1
1536 1 60 TYR QD 1 63 ARG QD 3.200 . 6.000 3.611 2.715 4.524 . 0 0 "[ . 1 .]" 1
1537 1 65 LYS HE3 1 66 TYR QD 3.000 . 6.000 4.663 3.668 5.742 . 0 0 "[ . 1 .]" 1
1538 1 30 PHE QD 1 67 PHE HZ 2.500 . 3.300 2.393 2.164 2.721 . 0 0 "[ . 1 .]" 1
1539 1 67 PHE HB3 1 67 PHE QD 2.400 . 6.000 2.733 2.691 2.756 . 0 0 "[ . 1 .]" 1
1540 1 67 PHE HA 1 67 PHE HB3 2.500 . 3.300 2.707 2.657 2.789 . 0 0 "[ . 1 .]" 1
1541 1 67 PHE HA 1 67 PHE QD 2.400 . 3.100 2.006 1.772 2.271 . 0 0 "[ . 1 .]" 1
1542 1 12 LEU MD2 1 67 PHE QD 2.600 . 3.500 2.647 2.514 2.789 . 0 0 "[ . 1 .]" 1
1543 1 12 LEU MD2 1 67 PHE QE 2.800 . 3.800 2.704 2.535 2.782 . 0 0 "[ . 1 .]" 1
1544 1 15 LEU MD1 1 67 PHE QE 2.800 . 3.800 2.178 1.857 2.466 . 0 0 "[ . 1 .]" 1
1545 1 36 LEU MD2 1 67 PHE QE 3.000 . 4.100 2.963 2.555 3.244 . 0 0 "[ . 1 .]" 1
1546 1 63 ARG HB2 1 66 TYR QD 2.800 . 3.800 2.682 2.028 4.355 0.555 6 2 "[ -+ 1 .]" 1
1547 1 16 SER HA 1 67 PHE QE 3.300 . 4.700 3.741 3.623 3.871 . 0 0 "[ . 1 .]" 1
1548 1 9 TYR QD 1 40 ALA MB 2.400 . 3.100 3.100 2.943 3.206 0.106 4 0 "[ . 1 .]" 1
1549 1 53 LEU MD1 1 64 PHE QE 2.500 . 6.000 2.792 2.564 2.972 . 0 0 "[ . 1 .]" 1
1550 1 50 PHE QD 1 64 PHE HZ 3.000 . 4.100 3.828 3.638 4.131 0.031 15 0 "[ . 1 .]" 1
1551 1 39 MET ME 1 50 PHE QD 2.700 . 6.000 5.597 5.420 5.749 . 0 0 "[ . 1 .]" 1
1552 1 39 MET ME 1 67 PHE QD 2.300 . 6.000 2.451 2.240 2.721 . 0 0 "[ . 1 .]" 1
1553 1 39 MET ME 1 67 PHE QE 2.300 . 6.000 3.124 2.847 3.424 . 0 0 "[ . 1 .]" 1
1554 1 50 PHE HZ 1 56 VAL MG1 2.800 . 6.000 5.997 5.736 6.121 0.121 6 0 "[ . 1 .]" 1
1555 1 35 ILE MD 1 39 MET HB2 3.300 . 6.000 5.859 5.680 6.013 0.013 9 0 "[ . 1 .]" 1
1556 1 35 ILE HB 1 35 ILE HG13 2.900 . 3.900 2.353 2.244 2.484 . 0 0 "[ . 1 .]" 1
1557 1 35 ILE HB 1 35 ILE HG12 2.700 . 3.600 2.587 2.448 2.773 . 0 0 "[ . 1 .]" 1
1558 1 32 PRO HD3 1 35 ILE HB 3.200 . 4.400 4.202 3.788 4.449 0.049 9 0 "[ . 1 .]" 1
1559 1 32 PRO HD2 1 35 ILE HB 3.000 . 4.100 2.483 2.058 2.736 . 0 0 "[ . 1 .]" 1
1560 1 32 PRO HD2 1 35 ILE MD 3.100 . 4.300 3.949 3.614 4.288 . 0 0 "[ . 1 .]" 1
1561 1 35 ILE MD 1 56 VAL HA 3.200 . 4.500 3.413 2.517 3.904 . 0 0 "[ . 1 .]" 1
1562 1 42 ILE MG 1 44 PRO HA 2.600 . 3.400 3.142 2.920 3.271 . 0 0 "[ . 1 .]" 1
1563 1 42 ILE MG 1 44 PRO HD3 2.600 . 6.000 2.786 2.481 3.123 . 0 0 "[ . 1 .]" 1
1564 1 42 ILE HB 1 42 ILE MD 2.500 . 3.300 2.173 2.043 2.349 . 0 0 "[ . 1 .]" 1
1565 1 41 ALA MB 1 42 ILE MD 2.400 . 3.100 2.508 2.158 2.756 . 0 0 "[ . 1 .]" 1
1566 1 67 PHE HA 1 67 PHE HB2 2.700 . 3.600 2.959 2.907 2.990 . 0 0 "[ . 1 .]" 1
1567 1 67 PHE HB2 1 67 PHE QD 2.400 . 3.100 2.288 2.224 2.368 . 0 0 "[ . 1 .]" 1
1568 1 43 LEU HB3 1 71 ILE MG 2.500 . 3.300 3.211 2.958 3.385 0.085 3 0 "[ . 1 .]" 1
1569 1 31 MET ME 1 67 PHE QE 2.100 . 6.000 2.655 2.397 3.023 . 0 0 "[ . 1 .]" 1
1570 1 30 PHE QD 1 31 MET ME 2.300 . 6.000 4.696 4.355 4.928 . 0 0 "[ . 1 .]" 1
1571 1 31 MET ME 1 64 PHE QE 2.500 . 3.300 2.694 2.345 3.000 . 0 0 "[ . 1 .]" 1
1572 1 51 ALA HA 1 51 ALA MB 1.900 . 2.300 2.099 2.077 2.132 . 0 0 "[ . 1 .]" 1
1573 1 5 LEU QD 1 41 ALA MB 2.100 . 2.700 2.048 1.731 2.362 . 0 0 "[ . 1 .]" 1
1574 1 56 VAL MG2 1 61 ARG HD2 3.300 . 4.600 3.593 2.019 4.626 0.026 9 0 "[ . 1 .]" 1
1575 1 23 MET HB3 1 27 VAL MG1 3.500 . 5.100 4.823 4.568 5.115 0.015 2 0 "[ . 1 .]" 1
1576 1 23 MET HB2 1 27 VAL MG1 3.500 . 5.100 5.111 4.879 5.177 0.077 15 0 "[ . 1 .]" 1
1577 1 50 PHE QD 1 56 VAL MG1 3.400 . 4.800 4.109 3.493 4.525 . 0 0 "[ . 1 .]" 1
1578 1 19 LEU MD2 1 66 TYR QE 2.800 . 6.000 4.660 3.782 5.674 . 0 0 "[ . 1 .]" 1
1579 1 19 LEU MD2 1 66 TYR QD 2.500 . 6.000 3.384 2.683 4.309 . 0 0 "[ . 1 .]" 1
1580 1 19 LEU MD2 1 66 TYR HA 3.100 . 4.300 4.269 4.079 4.385 0.085 4 0 "[ . 1 .]" 1
1581 1 19 LEU MD2 1 66 TYR HB3 3.100 . 4.300 2.678 2.442 2.813 . 0 0 "[ . 1 .]" 1
1582 1 15 LEU MD2 1 67 PHE QD 2.900 . 6.000 4.627 4.381 4.747 . 0 0 "[ . 1 .]" 1
1583 1 9 TYR QE 1 36 LEU MD2 2.900 . 6.000 4.714 4.369 5.056 . 0 0 "[ . 1 .]" 1
1584 1 31 MET HG2 1 36 LEU MD2 2.400 . 3.100 2.496 2.242 2.802 . 0 0 "[ . 1 .]" 1
1585 1 31 MET HB2 1 36 LEU MD2 2.400 . 3.100 2.979 2.885 3.053 . 0 0 "[ . 1 .]" 1
1586 1 31 MET HB3 1 36 LEU MD2 2.400 . 3.100 1.878 1.727 1.953 . 0 0 "[ . 1 .]" 1
1587 1 36 LEU MD2 1 67 PHE HZ 2.500 . 3.300 2.745 2.387 2.971 . 0 0 "[ . 1 .]" 1
1588 1 11 ARG HD3 1 74 LEU MD2 3.100 . 4.300 3.609 2.533 4.346 0.046 1 0 "[ . 1 .]" 1
1589 1 11 ARG HD2 1 74 LEU MD2 3.300 . 4.600 3.832 2.329 4.580 . 0 0 "[ . 1 .]" 1
1590 1 8 THR MG 1 42 ILE MD 3.200 . 6.000 6.071 5.930 6.176 0.176 2 0 "[ . 1 .]" 1
1591 1 53 LEU MD2 1 64 PHE QE 2.900 . 6.000 4.918 4.729 5.169 . 0 0 "[ . 1 .]" 1
1592 1 39 MET HB3 1 53 LEU MD2 3.000 . 4.100 3.438 3.131 3.789 . 0 0 "[ . 1 .]" 1
1593 1 36 LEU MD1 1 67 PHE HZ 3.200 . 4.500 4.319 3.985 4.543 0.043 1 0 "[ . 1 .]" 1
1594 1 44 PRO HG3 1 64 PHE HZ 2.900 . 6.000 5.959 5.624 6.062 0.062 14 0 "[ . 1 .]" 1
1595 1 44 PRO HG3 1 50 PHE QD 3.200 . 4.500 3.379 3.170 3.601 . 0 0 "[ . 1 .]" 1
1596 1 30 PHE QE 1 63 ARG HG2 3.200 . 6.000 3.425 2.920 4.205 . 0 0 "[ . 1 .]" 1
1597 1 44 PRO HG3 1 50 PHE QE 3.200 . 4.500 3.947 3.703 4.119 . 0 0 "[ . 1 .]" 1
1598 1 44 PRO HG2 1 50 PHE QE 3.200 . 4.500 2.230 2.030 2.465 . 0 0 "[ . 1 .]" 1
1599 1 25 PRO HA 1 26 PRO HG3 3.400 . 4.800 4.215 4.046 4.591 . 0 0 "[ . 1 .]" 1
1600 1 25 PRO HA 1 26 PRO HG2 3.200 . 6.000 4.542 4.458 4.750 . 0 0 "[ . 1 .]" 1
1601 1 72 ALA MB 1 73 ASP HA 3.100 . 4.300 3.769 3.650 3.933 . 0 0 "[ . 1 .]" 1
1602 1 59 LYS QD 1 60 TYR QD 3.300 . 6.000 3.691 2.695 4.377 . 0 0 "[ . 1 .]" 1
1603 1 35 ILE H 1 38 LYS HD2 3.200 . 6.000 4.960 4.362 5.655 . 0 0 "[ . 1 .]" 1
1604 1 38 LYS HD2 1 64 PHE QE 2.900 . 6.000 5.193 4.419 5.555 . 0 0 "[ . 1 .]" 1
1605 1 31 MET HG3 1 36 LEU MD1 3.300 . 4.700 4.068 3.831 4.307 . 0 0 "[ . 1 .]" 1
1606 1 31 MET HG2 1 36 LEU MD1 3.300 . 4.700 4.683 4.440 4.762 0.062 14 0 "[ . 1 .]" 1
1607 1 25 PRO HB3 1 25 PRO HD3 3.200 . 4.500 3.386 2.980 4.058 . 0 0 "[ . 1 .]" 1
1608 1 12 LEU MD1 1 39 MET HG2 2.900 . 4.000 2.214 1.883 2.423 . 0 0 "[ . 1 .]" 1
1609 1 12 LEU MD1 1 39 MET HG3 2.200 . 2.800 2.273 2.011 2.740 . 0 0 "[ . 1 .]" 1
1610 1 56 VAL HB 1 60 TYR HB2 3.200 . 4.400 2.488 2.131 3.067 . 0 0 "[ . 1 .]" 1
1611 1 57 GLU HG2 1 59 LYS QD 3.300 . 4.700 3.307 2.107 4.474 . 0 0 "[ . 1 .]" 1
1612 1 15 LEU MD2 1 18 ASN HB3 3.000 . 4.100 2.694 2.185 3.435 . 0 0 "[ . 1 .]" 1
1613 1 15 LEU MD2 1 18 ASN HB2 3.000 . 4.100 3.145 2.547 4.070 . 0 0 "[ . 1 .]" 1
1614 1 9 TYR QE 1 37 LYS HE2 2.700 . 6.000 4.384 3.078 5.574 . 0 0 "[ . 1 .]" 1
1615 1 9 TYR QD 1 37 LYS HE2 2.900 . 6.000 5.341 4.355 5.942 . 0 0 "[ . 1 .]" 1
1616 1 9 TYR QE 1 37 LYS HE3 2.800 . 6.000 3.432 2.392 5.028 . 0 0 "[ . 1 .]" 1
1617 1 9 TYR QD 1 37 LYS HE3 2.500 . 6.000 4.634 3.910 6.040 0.040 3 0 "[ . 1 .]" 1
1618 1 71 ILE HA 1 74 LEU HB3 3.600 . 5.300 4.505 3.953 4.790 . 0 0 "[ . 1 .]" 1
1619 1 61 ARG HD2 1 61 ARG HG2 2.400 . 3.100 2.617 2.353 3.003 . 0 0 "[ . 1 .]" 1
1620 1 50 PHE QD 1 61 ARG HD2 3.200 . 6.000 4.375 2.876 5.953 . 0 0 "[ . 1 .]" 1
1621 1 50 PHE QE 1 61 ARG HD2 3.000 . 6.000 5.401 4.236 6.902 0.902 3 2 "[ + . 1 - .]" 1
1622 1 61 ARG HD2 1 64 PHE QD 2.800 . 6.000 4.041 2.453 5.276 . 0 0 "[ . 1 .]" 1
1623 1 61 ARG HD2 1 64 PHE QE 3.100 . 6.000 5.293 3.592 6.755 0.755 3 1 "[ + . 1 .]" 1
1624 1 31 MET ME 1 63 ARG QD 3.200 . 4.500 2.610 1.870 3.733 0.030 3 0 "[ . 1 .]" 1
1625 1 63 ARG HA 1 63 ARG HG2 3.000 . 4.100 3.480 3.361 3.600 . 0 0 "[ . 1 .]" 1
1626 1 19 LEU HA 1 19 LEU MD1 3.100 . 4.300 3.871 3.799 3.925 . 0 0 "[ . 1 .]" 1
1627 1 12 LEU HA 1 30 PHE QD 2.900 . 6.000 5.963 5.810 6.044 0.044 15 0 "[ . 1 .]" 1
1628 1 12 LEU HA 1 67 PHE QD 2.600 . 6.000 4.023 3.811 4.253 . 0 0 "[ . 1 .]" 1
1629 1 30 PHE QE 1 63 ARG HA 3.400 . 6.000 4.251 3.592 4.967 . 0 0 "[ . 1 .]" 1
1630 1 35 ILE MG 1 60 TYR QD 3.400 . 6.000 3.777 3.035 4.523 . 0 0 "[ . 1 .]" 1
1631 1 21 ASN HA 1 26 PRO HA 2.800 . 3.800 3.168 2.702 3.535 . 0 0 "[ . 1 .]" 1
1632 1 57 GLU HG2 1 60 TYR QD 3.200 . 4.500 4.480 3.530 5.048 0.548 8 1 "[ . + 1 .]" 1
1633 1 43 LEU QD 1 75 SER HB2 2.600 . 3.400 3.132 2.362 3.803 0.403 15 0 "[ . 1 .]" 1
1634 1 71 ILE MG 1 75 SER HB2 2.800 . 6.000 4.349 3.060 5.825 . 0 0 "[ . 1 .]" 1
1635 1 45 MET ME 1 75 SER HB2 2.800 . 6.000 5.072 3.717 6.406 0.406 9 0 "[ . 1 .]" 1
1636 1 72 ALA MB 1 75 SER HB2 3.100 . 6.000 5.255 4.438 5.876 . 0 0 "[ . 1 .]" 1
1637 1 43 LEU HB3 1 75 SER HB2 3.000 . 4.100 3.310 2.054 4.836 0.736 12 2 "[ . 1 + -]" 1
1638 1 9 TYR HA 1 40 ALA MB 2.100 . 2.700 2.485 2.159 2.721 0.021 9 0 "[ . 1 .]" 1
1639 1 27 VAL HA 1 28 GLY HA3 3.500 . 5.000 4.500 4.367 4.615 . 0 0 "[ . 1 .]" 1
1640 1 12 LEU HA 1 30 PHE QE 3.100 . 6.000 6.135 6.039 6.256 0.256 14 0 "[ . 1 .]" 1
1641 1 20 GLY HA3 1 30 PHE QE 3.300 . 6.000 5.650 5.231 6.009 0.009 2 0 "[ . 1 .]" 1
1642 1 20 GLY HA2 1 30 PHE QE 3.400 . 6.000 4.626 4.183 5.094 . 0 0 "[ . 1 .]" 1
1643 1 19 LEU HB3 1 30 PHE QD 3.400 . 6.000 4.210 3.819 4.518 . 0 0 "[ . 1 .]" 1
1644 1 19 LEU HB3 1 30 PHE QE 3.400 . 4.900 3.523 3.238 3.788 . 0 0 "[ . 1 .]" 1
1645 1 19 LEU HB2 1 30 PHE QD 3.500 . 5.000 3.426 3.214 3.758 . 0 0 "[ . 1 .]" 1
1646 1 19 LEU HB2 1 30 PHE QE 3.500 . 5.000 3.272 2.970 3.570 . 0 0 "[ . 1 .]" 1
1647 1 30 PHE HB3 1 30 PHE QE 3.400 . 4.800 4.366 4.340 4.391 . 0 0 "[ . 1 .]" 1
1648 1 42 ILE HB 1 44 PRO HD3 3.200 . 4.500 3.189 2.988 3.494 . 0 0 "[ . 1 .]" 1
1649 1 31 MET ME 1 60 TYR HB3 3.200 . 6.000 3.357 3.104 3.694 . 0 0 "[ . 1 .]" 1
1650 1 35 ILE MD 1 60 TYR HB3 3.400 . 4.800 4.164 3.540 4.768 . 0 0 "[ . 1 .]" 1
1651 1 35 ILE MD 1 60 TYR HB2 3.800 . 5.600 4.674 4.228 4.988 . 0 0 "[ . 1 .]" 1
1652 1 56 VAL MG2 1 60 TYR HB3 3.500 . 5.000 4.205 3.834 4.650 . 0 0 "[ . 1 .]" 1
1653 1 68 LYS HA 1 71 ILE HB 2.400 . 3.100 2.750 2.442 3.163 0.063 7 0 "[ . 1 .]" 1
1654 1 39 MET HG3 1 53 LEU MD1 3.300 . 6.000 4.650 4.301 4.961 . 0 0 "[ . 1 .]" 1
1655 1 36 LEU MD2 1 39 MET HG2 3.600 . 5.200 3.629 3.169 4.277 . 0 0 "[ . 1 .]" 1
1656 1 38 LYS HB3 1 42 ILE MD 2.900 . 4.000 3.580 3.083 3.970 . 0 0 "[ . 1 .]" 1
1657 1 38 LYS HB3 1 53 LEU MD2 2.600 . 3.400 3.455 3.382 3.519 0.119 6 0 "[ . 1 .]" 1
1658 1 38 LYS HB2 1 42 ILE MD 2.900 . 3.900 2.823 2.563 3.166 . 0 0 "[ . 1 .]" 1
1659 1 35 ILE MG 1 39 MET HB2 2.900 . 3.900 3.652 3.518 3.882 . 0 0 "[ . 1 .]" 1
1660 1 24 VAL QG 1 25 PRO HB3 3.300 . 6.000 3.614 3.237 4.330 . 0 0 "[ . 1 .]" 1
1661 1 30 PHE QE 1 31 MET HG2 3.500 . 6.000 5.679 5.297 5.905 . 0 0 "[ . 1 .]" 1
1662 1 31 MET HG2 1 67 PHE HZ 3.100 . 4.300 4.349 4.236 4.419 0.119 4 0 "[ . 1 .]" 1
1663 1 44 PRO HB3 1 50 PHE QD 3.200 . 4.400 3.517 3.104 3.952 . 0 0 "[ . 1 .]" 1
1664 1 44 PRO HB2 1 50 PHE QD 3.400 . 4.900 3.013 2.576 3.537 . 0 0 "[ . 1 .]" 1
1665 1 44 PRO HB2 1 50 PHE QE 3.600 . 5.200 3.208 2.699 3.944 . 0 0 "[ . 1 .]" 1
1666 1 44 PRO HB3 1 50 PHE QE 3.700 . 5.400 4.404 3.957 5.015 . 0 0 "[ . 1 .]" 1
1667 1 57 GLU HB2 1 59 LYS HG2 3.400 . 4.900 3.193 2.198 4.470 . 0 0 "[ . 1 .]" 1
1668 1 57 GLU HB3 1 59 LYS HG2 3.700 . 5.400 2.424 1.796 3.086 0.204 11 0 "[ . 1 .]" 1
1669 1 65 LYS HD3 1 66 TYR QE 3.300 . 6.000 4.518 3.875 5.389 . 0 0 "[ . 1 .]" 1
1670 1 65 LYS HD3 1 66 TYR QD 3.500 . 6.000 4.964 3.986 5.746 . 0 0 "[ . 1 .]" 1
1671 1 65 LYS HA 1 65 LYS HD3 3.100 . 6.000 4.783 4.310 5.383 . 0 0 "[ . 1 .]" 1
1672 1 65 LYS HD3 1 65 LYS HE3 2.500 . 3.300 2.923 2.612 3.021 . 0 0 "[ . 1 .]" 1
1673 1 39 MET HA 1 43 LEU HA 3.300 . 4.600 4.101 3.905 4.320 . 0 0 "[ . 1 .]" 1
1674 1 12 LEU HB3 1 67 PHE QD 3.300 . 6.000 5.115 4.844 5.282 . 0 0 "[ . 1 .]" 1
1675 1 12 LEU HB3 1 67 PHE QE 3.400 . 4.900 3.942 3.712 4.106 . 0 0 "[ . 1 .]" 1
1676 1 12 LEU HB2 1 67 PHE QD 3.000 . 6.000 6.095 6.018 6.171 0.171 2 0 "[ . 1 .]" 1
1677 1 12 LEU HB2 1 67 PHE QE 3.300 . 6.000 5.045 4.952 5.190 . 0 0 "[ . 1 .]" 1
1678 1 15 LEU HG 1 67 PHE QR 3.400 . 4.800 3.723 3.560 3.806 . 0 0 "[ . 1 .]" 1
1679 1 15 LEU HG 1 30 PHE QE 3.700 . 6.000 6.137 5.996 6.269 0.269 14 0 "[ . 1 .]" 1
1680 1 27 VAL HA 1 30 PHE QD 3.000 . 6.000 5.730 5.344 6.045 0.045 13 0 "[ . 1 .]" 1
1681 1 27 VAL MG2 1 30 PHE HB2 3.300 . 4.700 3.789 3.302 4.085 . 0 0 "[ . 1 .]" 1
1682 1 27 VAL MG2 1 30 PHE HB3 3.200 . 6.000 5.093 4.702 5.377 . 0 0 "[ . 1 .]" 1
1683 1 30 PHE QE 1 63 ARG QD 3.200 . 6.000 4.534 4.196 4.892 . 0 0 "[ . 1 .]" 1
1684 1 33 ASP HA 1 36 LEU HG 3.300 . 4.600 3.460 3.248 3.812 . 0 0 "[ . 1 .]" 1
1685 1 16 SER HB3 1 30 PHE QD 3.400 . 4.800 3.409 2.738 4.103 . 0 0 "[ . 1 .]" 1
1686 1 9 TYR QE 1 37 LYS HB2 3.300 . 4.600 4.281 3.878 4.632 0.032 4 0 "[ . 1 .]" 1
1687 1 9 TYR QD 1 37 LYS HB2 3.400 . 4.800 4.656 4.277 4.864 0.064 11 0 "[ . 1 .]" 1
1688 1 39 MET HA 1 39 MET ME 3.600 . 5.200 4.680 4.556 4.828 . 0 0 "[ . 1 .]" 1
1689 1 65 LYS HA 1 65 LYS HG3 3.400 . 4.800 3.719 3.492 3.939 . 0 0 "[ . 1 .]" 1
1690 1 65 LYS HA 1 68 LYS HE3 3.200 . 4.500 3.814 2.313 5.375 0.875 6 1 "[ .+ 1 .]" 1
1691 1 59 LYS HA 1 62 ARG QD 3.400 . 4.800 2.630 1.831 4.232 0.169 2 0 "[ . 1 .]" 1
1692 1 30 PHE QE 1 31 MET ME 2.500 . 6.000 4.442 3.902 4.708 . 0 0 "[ . 1 .]" 1
1693 1 30 PHE HZ 1 63 ARG HA 3.000 . 6.000 4.573 3.400 5.297 . 0 0 "[ . 1 .]" 1
1694 1 31 MET ME 1 50 PHE QD 3.100 . 6.000 6.061 5.963 6.123 0.123 7 0 "[ . 1 .]" 1
1695 1 45 MET HA 1 45 MET ME 2.800 . 3.800 3.198 2.393 3.843 0.043 4 0 "[ . 1 .]" 1
1696 1 45 MET ME 1 45 MET HG3 2.900 . 4.000 3.249 2.547 3.395 . 0 0 "[ . 1 .]" 1
1697 1 45 MET ME 1 45 MET HG2 2.900 . 4.000 2.519 2.123 3.400 . 0 0 "[ . 1 .]" 1
1698 1 45 MET HB2 1 45 MET ME 2.400 . 6.000 3.389 1.750 4.009 . 0 0 "[ . 1 .]" 1
1699 1 45 MET HB3 1 45 MET ME 2.400 . 3.100 2.335 1.669 3.115 0.031 13 0 "[ . 1 .]" 1
1700 1 45 MET ME 1 72 ALA MB 2.100 . 2.700 2.085 1.712 2.528 . 0 0 "[ . 1 .]" 1
1701 1 45 MET ME 1 71 ILE MG 2.800 . 6.000 4.598 3.669 5.170 . 0 0 "[ . 1 .]" 1
1702 1 31 MET ME 1 64 PHE HA 2.300 . 2.900 2.749 2.485 2.913 0.013 11 0 "[ . 1 .]" 1
1703 1 31 MET HA 1 31 MET ME 2.700 . 3.600 3.575 3.420 3.654 0.054 3 0 "[ . 1 .]" 1
1704 1 31 MET ME 1 63 ARG HA 2.900 . 6.000 5.379 4.122 6.002 0.002 9 0 "[ . 1 .]" 1
1705 1 75 SER HA 1 78 ARG HB3 2.700 . 3.600 3.401 2.595 4.067 0.467 15 0 "[ . 1 .]" 1
1706 1 65 LYS HD3 1 65 LYS HG3 2.400 . 3.100 2.829 2.486 2.994 . 0 0 "[ . 1 .]" 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 34
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 41.455
_Distance_constraint_stats_list.Viol_max 0.104
_Distance_constraint_stats_list.Viol_rms 0.0151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0276
_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 8 THR 0.020 0.017 14 0 "[ . 1 .]"
1 9 TYR 0.041 0.025 11 0 "[ . 1 .]"
1 10 GLU 0.029 0.017 14 0 "[ . 1 .]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 12 LEU 0.490 0.086 1 0 "[ . 1 .]"
1 13 ARG 0.223 0.072 10 0 "[ . 1 .]"
1 14 GLU 0.211 0.099 12 0 "[ . 1 .]"
1 15 LEU 0.452 0.074 10 0 "[ . 1 .]"
1 16 SER 0.470 0.086 1 0 "[ . 1 .]"
1 17 LEU 0.182 0.072 10 0 "[ . 1 .]"
1 18 ASN 0.182 0.099 12 0 "[ . 1 .]"
1 19 LEU 0.452 0.074 10 0 "[ . 1 .]"
1 32 PRO 0.109 0.046 6 0 "[ . 1 .]"
1 33 ASP 0.027 0.024 10 0 "[ . 1 .]"
1 34 SER 0.355 0.085 6 0 "[ . 1 .]"
1 35 ILE 0.055 0.025 15 0 "[ . 1 .]"
1 36 LEU 0.176 0.049 1 0 "[ . 1 .]"
1 37 LYS 0.198 0.049 12 0 "[ . 1 .]"
1 38 LYS 0.383 0.085 6 0 "[ . 1 .]"
1 39 MET 0.210 0.040 13 0 "[ . 1 .]"
1 40 ALA 0.067 0.049 1 0 "[ . 1 .]"
1 41 ALA 0.171 0.049 12 0 "[ . 1 .]"
1 42 ILE 0.028 0.021 15 0 "[ . 1 .]"
1 43 LEU 0.156 0.040 13 0 "[ . 1 .]"
1 74 LEU 0.422 0.104 2 0 "[ . 1 .]"
1 78 ARG 0.422 0.104 2 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 THR O 1 12 LEU H 1.800 . 2.300 2.175 1.968 2.317 0.017 14 0 "[ . 1 .]" 2
2 1 8 THR O 1 12 LEU N 2.800 2.800 3.300 3.033 2.856 3.150 . 0 0 "[ . 1 .]" 2
3 1 9 TYR O 1 13 ARG H 1.800 . 2.300 2.059 1.872 2.293 . 0 0 "[ . 1 .]" 2
4 1 9 TYR O 1 13 ARG N 2.800 2.800 3.300 2.920 2.775 3.110 0.025 11 0 "[ . 1 .]" 2
5 1 10 GLU O 1 14 GLU H 1.800 . 2.300 1.950 1.853 2.082 . 0 0 "[ . 1 .]" 2
6 1 10 GLU O 1 14 GLU N 2.800 2.800 3.300 2.881 2.783 3.027 0.017 14 0 "[ . 1 .]" 2
7 1 11 ARG O 1 15 LEU H 1.800 . 2.300 2.114 1.985 2.253 . 0 0 "[ . 1 .]" 2
8 1 11 ARG O 1 15 LEU N 2.800 2.800 3.300 2.966 2.844 3.091 . 0 0 "[ . 1 .]" 2
9 1 12 LEU O 1 16 SER H 1.800 . 2.300 1.928 1.789 2.022 0.011 1 0 "[ . 1 .]" 2
10 1 12 LEU O 1 16 SER N 2.800 2.800 3.300 2.772 2.714 2.823 0.086 1 0 "[ . 1 .]" 2
11 1 13 ARG O 1 17 LEU H 1.800 . 2.300 2.229 1.971 2.372 0.072 10 0 "[ . 1 .]" 2
12 1 13 ARG O 1 17 LEU N 2.800 2.800 3.300 3.094 2.874 3.261 . 0 0 "[ . 1 .]" 2
13 1 14 GLU O 1 18 ASN H 1.800 . 2.300 2.261 2.032 2.399 0.099 12 0 "[ . 1 .]" 2
14 1 14 GLU O 1 18 ASN N 2.800 2.800 3.300 3.086 2.883 3.246 . 0 0 "[ . 1 .]" 2
15 1 15 LEU O 1 19 LEU H 1.800 . 2.300 1.825 1.774 1.885 0.026 10 0 "[ . 1 .]" 2
16 1 15 LEU O 1 19 LEU N 2.800 2.800 3.300 2.784 2.726 2.850 0.074 10 0 "[ . 1 .]" 2
17 1 32 PRO O 1 36 LEU H 1.800 . 2.300 1.897 1.805 2.013 . 0 0 "[ . 1 .]" 2
18 1 32 PRO O 1 36 LEU N 2.800 2.800 3.300 2.838 2.754 2.952 0.046 6 0 "[ . 1 .]" 2
19 1 33 ASP O 1 37 LYS H 1.800 . 2.300 2.188 2.044 2.324 0.024 10 0 "[ . 1 .]" 2
20 1 33 ASP O 1 37 LYS N 2.800 2.800 3.300 3.055 2.911 3.174 . 0 0 "[ . 1 .]" 2
21 1 34 SER O 1 38 LYS H 1.800 . 2.300 2.289 2.162 2.385 0.085 6 0 "[ . 1 .]" 2
22 1 34 SER O 1 38 LYS N 2.800 2.800 3.300 3.251 3.123 3.329 0.029 6 0 "[ . 1 .]" 2
23 1 35 ILE O 1 39 MET H 1.800 . 2.300 1.922 1.827 2.114 . 0 0 "[ . 1 .]" 2
24 1 35 ILE O 1 39 MET N 2.800 2.800 3.300 2.861 2.775 3.048 0.025 15 0 "[ . 1 .]" 2
25 1 36 LEU O 1 40 ALA H 1.800 . 2.300 2.252 2.116 2.349 0.049 1 0 "[ . 1 .]" 2
26 1 36 LEU O 1 40 ALA N 2.800 2.800 3.300 3.015 2.923 3.110 . 0 0 "[ . 1 .]" 2
27 1 37 LYS O 1 41 ALA H 1.800 . 2.300 2.212 2.025 2.349 0.049 12 0 "[ . 1 .]" 2
28 1 37 LYS O 1 41 ALA N 2.800 2.800 3.300 3.028 2.872 3.176 . 0 0 "[ . 1 .]" 2
29 1 38 LYS O 1 42 ILE H 1.800 . 2.300 1.922 1.825 2.099 . 0 0 "[ . 1 .]" 2
30 1 38 LYS O 1 42 ILE N 2.800 2.800 3.300 2.876 2.779 3.016 0.021 15 0 "[ . 1 .]" 2
31 1 39 MET O 1 43 LEU H 1.800 . 2.300 2.067 1.979 2.148 . 0 0 "[ . 1 .]" 2
32 1 39 MET O 1 43 LEU N 2.800 2.800 3.300 2.805 2.760 2.911 0.040 13 0 "[ . 1 .]" 2
33 1 74 LEU O 1 78 ARG H 1.800 . 2.300 2.223 1.901 2.404 0.104 2 0 "[ . 1 .]" 2
34 1 74 LEU O 1 78 ARG N 2.800 2.800 3.300 2.948 2.785 3.105 0.015 13 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 12:44:07 PM GMT (wattos1)