NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377788 |
1gh9   |
4740 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gh9
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 807
_Distance_constraint_stats_list.Viol_count 1373
_Distance_constraint_stats_list.Viol_total 3108.446
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0598
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.1132
_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 MET 0.010 0.006 5 0 "[ . 1 . 2]"
1 2 TYR 0.503 0.046 13 0 "[ . 1 . 2]"
1 3 ILE 1.196 0.064 4 0 "[ . 1 . 2]"
1 4 ILE 5.146 0.270 18 0 "[ . 1 . 2]"
1 5 PHE 12.059 0.616 9 1 "[ . +1 . 2]"
1 6 ARG 3.362 0.231 9 0 "[ . 1 . 2]"
1 7 CYS 2.166 0.145 18 0 "[ . 1 . 2]"
1 8 ASP 0.504 0.183 8 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.366 0.169 15 0 "[ . 1 . 2]"
1 12 ALA 3.801 0.647 4 2 "[ +. 1 . - 2]"
1 13 LEU 1.464 0.169 15 0 "[ . 1 . 2]"
1 14 TYR 1.897 0.113 18 0 "[ . 1 . 2]"
1 15 SER 1.592 0.063 17 0 "[ . 1 . 2]"
1 16 ARG 0.890 0.074 15 0 "[ . 1 . 2]"
1 17 GLU 8.575 0.835 4 3 "[ +. 1- . * 2]"
1 18 GLY 0.188 0.022 10 0 "[ . 1 . 2]"
1 19 ALA 0.757 0.053 5 0 "[ . 1 . 2]"
1 20 LYS 12.379 0.950 17 6 "[ * 1 - **+ *2]"
1 21 THR 11.540 0.833 13 7 "[ ** 1 + .**-*2]"
1 22 ARG 2.974 0.503 17 1 "[ . 1 . + 2]"
1 23 LYS 6.302 0.503 17 1 "[ . 1 . + 2]"
1 24 CYS 0.150 0.141 13 0 "[ . 1 . 2]"
1 25 VAL 0.202 0.048 6 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 3.390 0.182 16 0 "[ . 1 . 2]"
1 28 ARG 5.906 0.876 19 2 "[ . 1 .- +2]"
1 29 THR 0.561 0.031 14 0 "[ . 1 . 2]"
1 30 VAL 7.966 0.616 9 1 "[ . +1 . 2]"
1 31 ASN 8.600 0.694 17 4 "[ *. 1 .*+- 2]"
1 32 VAL 1.683 0.213 13 0 "[ . 1 . 2]"
1 33 LYS 5.663 0.929 11 2 "[ . 1+ . -2]"
1 34 ASP 1.958 0.228 20 0 "[ . 1 . 2]"
1 35 ARG 3.824 0.786 11 1 "[ . 1+ . 2]"
1 36 ARG 2.518 0.929 11 1 "[ . 1+ . 2]"
1 37 ILE 3.758 0.213 13 0 "[ . 1 . 2]"
1 38 PHE 1.630 0.748 11 1 "[ . 1+ . 2]"
1 39 GLY 2.062 0.088 20 0 "[ . 1 . 2]"
1 40 ARG 2.559 0.085 20 0 "[ . 1 . 2]"
1 41 ALA 4.492 0.113 18 0 "[ . 1 . 2]"
1 42 ASP 0.288 0.039 11 0 "[ . 1 . 2]"
1 43 ASP 1.471 0.090 17 0 "[ . 1 . 2]"
1 44 PHE 0.552 0.062 4 0 "[ . 1 . 2]"
1 45 GLU 8.124 0.641 12 3 "[ . - 1 + * 2]"
1 46 GLU 0.509 0.212 14 0 "[ . 1 . 2]"
1 47 ALA 1.377 0.212 14 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 1.819 0.616 15 1 "[ . 1 + 2]"
1 50 LEU 0.554 0.045 16 0 "[ . 1 . 2]"
1 51 VAL 13.213 0.839 3 2 "[ + . 1 - . 2]"
1 52 ARG 7.320 0.839 3 4 "[ -+ . 1 **. 2]"
1 53 LYS 0.013 0.008 2 0 "[ . 1 . 2]"
1 54 LEU 10.320 0.528 13 1 "[ . 1 + . 2]"
1 55 GLN 22.669 0.841 14 9 "[** *.* * 1 *+. -*2]"
1 56 GLU 11.003 0.748 8 5 "[* . + 1 . **-]"
1 57 GLU 0.746 0.191 15 0 "[ . 1 . 2]"
1 58 LYS 13.311 0.814 10 10 "[**-*.*** + **. 2]"
1 59 TYR 0.987 0.375 10 0 "[ . 1 . 2]"
1 60 GLY 0.619 0.619 3 1 "[ + . 1 . 2]"
1 61 SER 0.867 0.619 3 1 "[ + . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 2.483 0.828 14 2 "[ . 1 +.- 2]"
1 66 ASN 0.576 0.240 7 0 "[ . 1 . 2]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.563 0.240 7 0 "[ . 1 . 2]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLU 2.457 0.828 14 2 "[ . 1 +.- 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET QB 2.400 . 3.100 2.244 2.154 2.486 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 TYR H 2.200 . 2.800 2.575 2.282 2.806 0.006 5 0 "[ . 1 . 2]" 1
3 1 1 MET QB 1 2 TYR H 2.600 . 3.400 2.148 1.825 2.715 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 3 ILE MG 2.100 . 5.500 4.322 3.928 4.772 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 41 ALA MB 2.500 . 5.500 5.187 4.756 5.504 0.004 14 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 42 ASP HA 2.200 . 2.800 2.383 1.670 2.776 . 0 0 "[ . 1 . 2]" 1
7 1 2 TYR H 1 2 TYR HA 2.700 . 3.600 2.939 2.934 2.946 . 0 0 "[ . 1 . 2]" 1
8 1 2 TYR H 1 2 TYR HB2 2.600 . 3.400 2.468 2.297 2.683 . 0 0 "[ . 1 . 2]" 1
9 1 2 TYR H 1 2 TYR HB3 2.800 . 3.800 3.590 3.459 3.799 . 0 0 "[ . 1 . 2]" 1
10 1 2 TYR H 1 2 TYR QD 2.900 . 4.000 3.488 2.776 4.000 . 0 0 "[ . 1 . 2]" 1
11 1 2 TYR H 1 41 ALA MB 3.600 . 5.200 4.135 4.029 4.217 . 0 0 "[ . 1 . 2]" 1
12 1 2 TYR H 1 42 ASP HA 3.200 . 4.500 2.515 2.178 2.738 . 0 0 "[ . 1 . 2]" 1
13 1 2 TYR HA 1 2 TYR HB2 2.300 . 3.000 2.973 2.935 3.020 0.020 13 0 "[ . 1 . 2]" 1
14 1 2 TYR HA 1 3 ILE H 2.100 . 2.700 2.327 2.286 2.373 . 0 0 "[ . 1 . 2]" 1
15 1 2 TYR HA 1 3 ILE MG 3.100 . 4.300 3.717 3.526 3.857 . 0 0 "[ . 1 . 2]" 1
16 1 2 TYR HA 1 15 SER H 3.500 . 5.000 4.409 4.220 4.609 . 0 0 "[ . 1 . 2]" 1
17 1 2 TYR HA 1 16 ARG H 4.200 . 5.500 5.016 4.928 5.107 . 0 0 "[ . 1 . 2]" 1
18 1 2 TYR HA 1 16 ARG HA 2.200 . 2.800 2.806 2.707 2.846 0.046 13 0 "[ . 1 . 2]" 1
19 1 2 TYR HA 1 17 GLU H 2.800 . 3.800 3.406 3.220 3.722 . 0 0 "[ . 1 . 2]" 1
20 1 2 TYR HB2 1 3 ILE H 3.300 . 4.700 3.967 3.704 4.079 . 0 0 "[ . 1 . 2]" 1
21 1 2 TYR HB2 1 41 ALA H 3.200 . 4.500 4.332 4.027 4.508 0.008 11 0 "[ . 1 . 2]" 1
22 1 2 TYR HB2 1 47 ALA MB 2.600 . 3.400 2.994 2.625 3.294 . 0 0 "[ . 1 . 2]" 1
23 1 2 TYR HB3 1 3 ILE H 3.200 . 4.500 2.662 2.432 2.798 . 0 0 "[ . 1 . 2]" 1
24 1 2 TYR HB3 1 4 ILE MD 2.900 . 4.000 3.555 3.400 3.862 . 0 0 "[ . 1 . 2]" 1
25 1 2 TYR HB3 1 15 SER H 4.000 . 5.500 3.976 3.564 4.225 . 0 0 "[ . 1 . 2]" 1
26 1 2 TYR HB3 1 41 ALA H 3.600 . 5.200 4.196 3.901 4.683 . 0 0 "[ . 1 . 2]" 1
27 1 2 TYR HB3 1 41 ALA MB 2.700 . 3.600 3.076 2.778 3.616 0.016 13 0 "[ . 1 . 2]" 1
28 1 2 TYR HB3 1 47 ALA MB 2.600 . 3.400 2.737 2.268 3.213 . 0 0 "[ . 1 . 2]" 1
29 1 2 TYR QD 1 3 ILE H 3.500 . 5.000 3.337 3.003 3.739 . 0 0 "[ . 1 . 2]" 1
30 1 2 TYR QD 1 15 SER H 3.100 . 4.300 3.611 2.952 4.308 0.008 15 0 "[ . 1 . 2]" 1
31 1 2 TYR QD 1 16 ARG H 3.800 . 5.500 4.766 3.808 5.429 . 0 0 "[ . 1 . 2]" 1
32 1 2 TYR QD 1 47 ALA MB 3.200 . 4.000 2.720 2.113 3.041 . 0 0 "[ . 1 . 2]" 1
33 1 2 TYR QE 1 47 ALA MB 3.200 . 4.000 3.936 3.580 4.027 0.027 9 0 "[ . 1 . 2]" 1
34 1 3 ILE H 1 3 ILE HA 3.000 . 4.100 2.946 2.941 2.949 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE H 1 3 ILE HB 2.800 . 3.800 3.768 3.750 3.790 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE H 1 3 ILE MD 3.100 . 4.300 3.868 3.829 3.917 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE H 1 3 ILE MG 2.500 . 3.300 3.115 2.986 3.208 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE H 1 14 TYR HB2 3.900 . 5.500 4.055 3.845 4.260 . 0 0 "[ . 1 . 2]" 1
39 1 3 ILE H 1 16 ARG HA 3.200 . 4.500 3.849 3.719 3.934 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE HA 1 3 ILE MG 2.100 . 2.700 2.203 2.147 2.367 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE HA 1 4 ILE H 2.000 . 2.500 2.373 2.305 2.416 . 0 0 "[ . 1 . 2]" 1
42 1 3 ILE HA 1 4 ILE MD 2.500 . 5.500 3.164 2.917 3.325 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE HA 1 37 ILE MD 4.000 . 5.000 4.104 3.601 4.220 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE HA 1 37 ILE HG13 3.000 . 5.500 5.035 4.823 5.240 . 0 0 "[ . 1 . 2]" 1
45 1 3 ILE HA 1 37 ILE MG 3.000 . 4.100 2.717 2.552 2.854 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE HA 1 40 ARG HA 2.200 . 3.000 2.683 2.603 2.780 . 0 0 "[ . 1 . 2]" 1
47 1 3 ILE HA 1 40 ARG HB3 2.800 . 5.500 5.539 5.494 5.564 0.064 4 0 "[ . 1 . 2]" 1
48 1 3 ILE HA 1 41 ALA H 3.000 . 4.100 2.952 2.845 3.056 . 0 0 "[ . 1 . 2]" 1
49 1 3 ILE HB 1 3 ILE MD 2.400 . 3.100 2.287 2.223 2.334 . 0 0 "[ . 1 . 2]" 1
50 1 3 ILE HB 1 3 ILE MG 2.400 . 3.100 2.105 2.087 2.124 . 0 0 "[ . 1 . 2]" 1
51 1 3 ILE HB 1 5 PHE QD 3.000 . 4.100 3.439 3.304 3.613 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE HB 1 15 SER H 3.400 . 4.800 4.670 4.582 4.781 . 0 0 "[ . 1 . 2]" 1
53 1 3 ILE HB 1 40 ARG HA 4.000 . 5.000 4.573 4.472 4.637 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE MD 1 3 ILE MG 2.000 . 2.500 2.354 2.175 2.455 . 0 0 "[ . 1 . 2]" 1
55 1 3 ILE MD 1 4 ILE HA 3.200 . 4.500 4.510 4.464 4.531 0.031 20 0 "[ . 1 . 2]" 1
56 1 3 ILE MD 1 15 SER H 3.200 . 4.500 3.763 3.662 3.857 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE MD 1 17 GLU HA 2.300 . 3.000 2.902 2.613 3.021 0.021 20 0 "[ . 1 . 2]" 1
58 1 3 ILE MD 1 18 GLY H 3.400 . 4.800 2.351 2.140 2.548 . 0 0 "[ . 1 . 2]" 1
59 1 3 ILE MD 1 32 VAL HB 2.500 . 5.500 4.022 3.864 5.521 0.021 13 0 "[ . 1 . 2]" 1
60 1 3 ILE MD 1 32 VAL QG 3.200 . 4.000 2.907 2.792 3.089 . 0 0 "[ . 1 . 2]" 1
61 1 3 ILE MD 1 37 ILE HG12 2.100 . 5.500 3.389 3.278 3.531 . 0 0 "[ . 1 . 2]" 1
62 1 3 ILE MG 1 16 ARG QB 3.100 . 5.500 5.175 5.161 5.193 . 0 0 "[ . 1 . 2]" 1
63 1 3 ILE MG 1 17 GLU H 3.800 . 5.500 3.344 3.235 3.588 . 0 0 "[ . 1 . 2]" 1
64 1 3 ILE MG 1 17 GLU HA 2.000 . 2.500 1.638 1.487 1.940 0.013 12 0 "[ . 1 . 2]" 1
65 1 3 ILE MG 1 17 GLU HG3 3.000 . 4.100 2.873 2.092 3.540 . 0 0 "[ . 1 . 2]" 1
66 1 3 ILE MG 1 19 ALA MB 3.400 . 4.800 4.456 4.332 4.656 . 0 0 "[ . 1 . 2]" 1
67 1 3 ILE MG 1 32 VAL QG 4.000 . 5.500 4.837 4.724 4.927 . 0 0 "[ . 1 . 2]" 1
68 1 3 ILE MG 1 37 ILE HG13 2.500 . 3.300 2.522 2.376 2.719 . 0 0 "[ . 1 . 2]" 1
69 1 3 ILE MG 1 40 ARG HA 4.000 . 5.000 3.331 3.179 3.582 . 0 0 "[ . 1 . 2]" 1
70 1 3 ILE MG 1 40 ARG QD 3.500 . 5.000 2.889 1.975 3.750 0.025 15 0 "[ . 1 . 2]" 1
71 1 3 ILE MG 1 41 ALA H 3.900 . 5.500 4.269 4.067 4.489 . 0 0 "[ . 1 . 2]" 1
72 1 4 ILE H 1 4 ILE HA 2.800 . 3.800 2.946 2.939 2.949 . 0 0 "[ . 1 . 2]" 1
73 1 4 ILE H 1 4 ILE HB 2.700 . 3.600 2.545 2.460 2.616 . 0 0 "[ . 1 . 2]" 1
74 1 4 ILE H 1 4 ILE MD 3.000 . 4.100 3.001 2.733 3.224 . 0 0 "[ . 1 . 2]" 1
75 1 4 ILE H 1 37 ILE MD 3.000 . 4.100 2.933 2.594 3.108 . 0 0 "[ . 1 . 2]" 1
76 1 4 ILE H 1 37 ILE MG 2.400 . 3.100 2.162 2.070 2.275 . 0 0 "[ . 1 . 2]" 1
77 1 4 ILE H 1 39 GLY H 4.000 . 5.000 5.074 5.058 5.088 0.088 20 0 "[ . 1 . 2]" 1
78 1 4 ILE H 1 40 ARG HA 3.000 . 4.100 3.690 3.521 3.773 . 0 0 "[ . 1 . 2]" 1
79 1 4 ILE H 1 41 ALA MB 2.900 . 5.500 5.028 4.863 5.138 . 0 0 "[ . 1 . 2]" 1
80 1 4 ILE HA 1 4 ILE MD 2.700 . 3.600 3.134 3.074 3.239 . 0 0 "[ . 1 . 2]" 1
81 1 4 ILE HA 1 5 PHE H 2.000 . 2.500 2.286 2.220 2.298 . 0 0 "[ . 1 . 2]" 1
82 1 4 ILE HA 1 5 PHE QD 2.700 . 3.600 3.479 3.295 3.605 0.005 17 0 "[ . 1 . 2]" 1
83 1 4 ILE HA 1 14 TYR HA 2.200 . 3.000 2.451 2.216 2.554 . 0 0 "[ . 1 . 2]" 1
84 1 4 ILE HA 1 15 SER H 3.200 . 4.500 3.877 3.675 3.972 . 0 0 "[ . 1 . 2]" 1
85 1 4 ILE HA 1 41 ALA MB 2.500 . 5.500 5.452 5.351 5.512 0.012 11 0 "[ . 1 . 2]" 1
86 1 4 ILE HA 1 51 VAL MG2 3.400 . 4.800 3.557 3.412 3.731 . 0 0 "[ . 1 . 2]" 1
87 1 4 ILE HB 1 4 ILE MD 2.300 . 3.000 2.190 2.094 2.295 . 0 0 "[ . 1 . 2]" 1
88 1 4 ILE HB 1 4 ILE MG 2.200 . 2.800 2.092 2.084 2.110 . 0 0 "[ . 1 . 2]" 1
89 1 4 ILE HB 1 39 GLY H 2.900 . 5.500 4.096 4.002 4.157 . 0 0 "[ . 1 . 2]" 1
90 1 4 ILE HB 1 39 GLY HA2 3.200 . 4.500 3.780 3.653 3.904 . 0 0 "[ . 1 . 2]" 1
91 1 4 ILE HB 1 39 GLY HA3 3.600 . 5.200 2.160 1.994 2.299 0.006 3 0 "[ . 1 . 2]" 1
92 1 4 ILE HB 1 41 ALA MB 2.400 . 5.500 4.622 4.538 4.717 . 0 0 "[ . 1 . 2]" 1
93 1 4 ILE MD 1 14 TYR HA 2.800 . 3.800 3.779 3.708 3.825 0.025 11 0 "[ . 1 . 2]" 1
94 1 4 ILE MD 1 14 TYR HB2 3.500 . 5.000 3.540 3.152 3.879 . 0 0 "[ . 1 . 2]" 1
95 1 4 ILE MD 1 14 TYR HB3 3.000 . 4.100 3.259 2.927 3.558 . 0 0 "[ . 1 . 2]" 1
96 1 4 ILE MD 1 15 SER H 3.600 . 5.200 4.504 4.387 4.643 . 0 0 "[ . 1 . 2]" 1
97 1 4 ILE MD 1 39 GLY H 4.000 . 5.000 4.950 4.824 5.009 0.009 8 0 "[ . 1 . 2]" 1
98 1 4 ILE MD 1 39 GLY HA3 3.300 . 4.700 2.668 2.472 2.883 . 0 0 "[ . 1 . 2]" 1
99 1 4 ILE MD 1 40 ARG H 3.200 . 4.500 4.291 4.165 4.420 . 0 0 "[ . 1 . 2]" 1
100 1 4 ILE MD 1 40 ARG HA 2.800 . 3.800 3.703 3.615 3.769 . 0 0 "[ . 1 . 2]" 1
101 1 4 ILE MD 1 41 ALA H 3.000 . 4.100 2.617 2.533 2.711 . 0 0 "[ . 1 . 2]" 1
102 1 4 ILE MD 1 41 ALA MB 2.000 . 2.500 2.133 2.069 2.220 . 0 0 "[ . 1 . 2]" 1
103 1 4 ILE MD 1 47 ALA HA 2.300 . 3.000 2.272 1.825 2.546 . 0 0 "[ . 1 . 2]" 1
104 1 4 ILE MD 1 47 ALA MB 2.700 . 3.600 2.981 2.523 3.269 . 0 0 "[ . 1 . 2]" 1
105 1 4 ILE MD 1 50 LEU HB2 3.400 . 4.800 2.503 2.296 2.972 . 0 0 "[ . 1 . 2]" 1
106 1 4 ILE MD 1 54 LEU QD 3.100 . 4.300 4.165 3.568 4.242 . 0 0 "[ . 1 . 2]" 1
107 1 4 ILE MG 1 5 PHE H 3.300 . 4.700 1.897 1.862 2.064 0.038 18 0 "[ . 1 . 2]" 1
108 1 4 ILE MG 1 5 PHE HA 2.700 . 3.600 3.249 3.221 3.321 . 0 0 "[ . 1 . 2]" 1
109 1 4 ILE MG 1 5 PHE QD 3.200 . 4.500 4.281 4.232 4.308 . 0 0 "[ . 1 . 2]" 1
110 1 4 ILE MG 1 12 ALA MB 2.500 . 3.300 2.710 2.468 2.881 . 0 0 "[ . 1 . 2]" 1
111 1 4 ILE MG 1 13 LEU H 2.500 . 3.300 3.277 3.018 3.399 0.099 18 0 "[ . 1 . 2]" 1
112 1 4 ILE MG 1 13 LEU HA 2.400 . 5.500 4.786 4.594 4.903 . 0 0 "[ . 1 . 2]" 1
113 1 4 ILE MG 1 14 TYR HB3 2.400 . 5.500 4.592 4.179 4.804 . 0 0 "[ . 1 . 2]" 1
114 1 4 ILE MG 1 38 PHE HB3 3.100 . 4.300 2.541 2.322 2.717 . 0 0 "[ . 1 . 2]" 1
115 1 4 ILE MG 1 39 GLY H 3.200 . 4.000 4.027 4.006 4.050 0.050 18 0 "[ . 1 . 2]" 1
116 1 4 ILE MG 1 39 GLY HA3 3.500 . 5.000 2.915 2.812 3.119 . 0 0 "[ . 1 . 2]" 1
117 1 4 ILE MG 1 41 ALA MB 2.100 . 5.500 5.117 5.043 5.204 . 0 0 "[ . 1 . 2]" 1
118 1 4 ILE MG 1 51 VAL H 3.000 . 4.100 4.160 4.119 4.185 0.085 7 0 "[ . 1 . 2]" 1
119 1 4 ILE MG 1 51 VAL HA 2.200 . 2.800 2.654 2.494 2.882 0.082 20 0 "[ . 1 . 2]" 1
120 1 4 ILE MG 1 51 VAL MG2 2.500 . 3.300 2.655 2.303 2.891 . 0 0 "[ . 1 . 2]" 1
121 1 4 ILE MG 1 54 LEU HB2 3.100 . 4.300 3.031 2.728 3.812 . 0 0 "[ . 1 . 2]" 1
122 1 4 ILE MG 1 54 LEU HB3 2.100 . 5.500 3.494 3.144 4.453 . 0 0 "[ . 1 . 2]" 1
123 1 4 ILE MG 1 54 LEU QD 2.600 . 3.300 2.408 1.530 2.560 0.270 18 0 "[ . 1 . 2]" 1
124 1 4 ILE MG 1 54 LEU HG 2.500 . 3.300 2.118 1.835 3.566 0.266 20 0 "[ . 1 . 2]" 1
125 1 5 PHE H 1 5 PHE HA 2.700 . 3.600 2.925 2.919 2.946 . 0 0 "[ . 1 . 2]" 1
126 1 5 PHE H 1 5 PHE QB 4.100 . 5.500 3.260 3.186 3.280 . 0 0 "[ . 1 . 2]" 1
127 1 5 PHE H 1 5 PHE QD 3.000 . 4.100 3.171 2.983 3.209 . 0 0 "[ . 1 . 2]" 1
128 1 5 PHE H 1 6 ARG QG 3.600 . 5.200 4.688 4.435 5.040 . 0 0 "[ . 1 . 2]" 1
129 1 5 PHE H 1 12 ALA MB 4.000 . 5.000 3.709 3.455 3.941 . 0 0 "[ . 1 . 2]" 1
130 1 5 PHE H 1 13 LEU H 3.200 . 4.500 2.527 2.431 2.727 . 0 0 "[ . 1 . 2]" 1
131 1 5 PHE H 1 14 TYR HA 3.200 . 4.500 3.928 3.701 4.060 . 0 0 "[ . 1 . 2]" 1
132 1 5 PHE H 1 30 VAL QG 2.400 . 5.500 4.495 4.325 4.643 . 0 0 "[ . 1 . 2]" 1
133 1 5 PHE H 1 37 ILE MG 4.000 . 5.000 5.045 5.020 5.068 0.068 13 0 "[ . 1 . 2]" 1
134 1 5 PHE HA 1 5 PHE QD 2.400 . 5.500 3.499 3.386 3.565 . 0 0 "[ . 1 . 2]" 1
135 1 5 PHE HA 1 6 ARG H 2.600 . 3.400 2.797 2.737 2.847 . 0 0 "[ . 1 . 2]" 1
136 1 5 PHE HA 1 13 LEU H 4.000 . 5.000 4.724 4.661 4.827 . 0 0 "[ . 1 . 2]" 1
137 1 5 PHE HA 1 32 VAL HA 2.200 . 3.000 2.957 2.790 3.027 0.027 20 0 "[ . 1 . 2]" 1
138 1 5 PHE HA 1 32 VAL HB 3.500 . 5.000 3.692 3.464 5.091 0.091 13 0 "[ . 1 . 2]" 1
139 1 5 PHE HA 1 37 ILE HA 4.000 . 5.000 5.055 4.719 5.107 0.107 4 0 "[ . 1 . 2]" 1
140 1 5 PHE HA 1 38 PHE H 2.800 . 3.800 3.388 3.272 3.466 . 0 0 "[ . 1 . 2]" 1
141 1 5 PHE HA 1 38 PHE QD 2.300 . 5.500 4.702 4.252 4.940 . 0 0 "[ . 1 . 2]" 1
142 1 5 PHE QB 1 5 PHE QD 2.400 . 3.100 2.120 2.116 2.123 . 0 0 "[ . 1 . 2]" 1
143 1 5 PHE QB 1 6 ARG H 2.500 . 3.300 1.783 1.687 1.905 0.113 20 0 "[ . 1 . 2]" 1
144 1 5 PHE QB 1 6 ARG HB2 2.300 . 5.500 4.264 4.095 4.465 . 0 0 "[ . 1 . 2]" 1
145 1 5 PHE QB 1 13 LEU H 3.600 . 5.200 4.115 4.035 4.231 . 0 0 "[ . 1 . 2]" 1
146 1 5 PHE QB 1 22 ARG QB 2.900 . 5.500 4.512 4.128 4.900 . 0 0 "[ . 1 . 2]" 1
147 1 5 PHE QB 1 30 VAL QG 2.800 . 3.700 2.537 2.328 2.716 . 0 0 "[ . 1 . 2]" 1
148 1 5 PHE QB 1 32 VAL HB 3.200 . 4.500 2.205 2.086 3.540 . 0 0 "[ . 1 . 2]" 1
149 1 5 PHE QB 1 37 ILE MD 4.000 . 5.000 2.567 2.499 2.720 . 0 0 "[ . 1 . 2]" 1
150 1 5 PHE QD 1 6 ARG H 3.100 . 4.300 3.536 3.368 3.682 . 0 0 "[ . 1 . 2]" 1
151 1 5 PHE QD 1 7 CYS QB 3.600 . 5.200 4.781 4.488 5.048 . 0 0 "[ . 1 . 2]" 1
152 1 5 PHE QD 1 13 LEU HB2 3.200 . 4.000 2.660 2.539 2.832 . 0 0 "[ . 1 . 2]" 1
153 1 5 PHE QD 1 13 LEU HB3 3.200 . 4.000 4.015 3.989 4.042 0.042 18 0 "[ . 1 . 2]" 1
154 1 5 PHE QD 1 15 SER HB2 4.000 . 5.000 4.985 4.889 5.037 0.037 9 0 "[ . 1 . 2]" 1
155 1 5 PHE QD 1 15 SER HB3 4.000 . 5.000 4.577 4.403 4.862 . 0 0 "[ . 1 . 2]" 1
156 1 5 PHE QD 1 30 VAL QG 3.600 . 5.200 1.657 1.384 1.892 0.616 9 1 "[ . +1 . 2]" 1
157 1 5 PHE QD 1 32 VAL QG 4.000 . 4.500 2.580 2.434 2.840 . 0 0 "[ . 1 . 2]" 1
158 1 5 PHE QD 1 37 ILE HA 2.800 . 5.500 5.272 5.181 5.377 . 0 0 "[ . 1 . 2]" 1
159 1 5 PHE QD 1 37 ILE HG13 3.900 . 5.500 4.179 3.970 4.360 . 0 0 "[ . 1 . 2]" 1
160 1 5 PHE QD 1 37 ILE MG 3.200 . 4.500 3.684 3.604 3.907 . 0 0 "[ . 1 . 2]" 1
161 1 5 PHE QE 1 13 LEU HB2 3.200 . 4.000 2.039 1.855 2.260 . 0 0 "[ . 1 . 2]" 1
162 1 5 PHE QE 1 13 LEU HB3 3.200 . 4.000 2.417 2.294 2.583 . 0 0 "[ . 1 . 2]" 1
163 1 5 PHE QE 1 14 TYR HB3 3.100 . 5.500 5.488 5.413 5.524 0.024 9 0 "[ . 1 . 2]" 1
164 1 5 PHE QE 1 15 SER H 4.200 . 5.500 2.711 2.597 2.830 . 0 0 "[ . 1 . 2]" 1
165 1 5 PHE QE 1 15 SER HB2 3.200 . 4.000 2.940 2.808 3.016 . 0 0 "[ . 1 . 2]" 1
166 1 5 PHE QE 1 15 SER HB3 3.200 . 4.000 2.329 2.133 2.629 . 0 0 "[ . 1 . 2]" 1
167 1 5 PHE HZ 1 13 LEU HB2 3.200 . 4.000 4.017 4.002 4.028 0.028 1 0 "[ . 1 . 2]" 1
168 1 5 PHE HZ 1 13 LEU HB3 3.200 . 4.000 3.419 3.210 3.648 . 0 0 "[ . 1 . 2]" 1
169 1 5 PHE HZ 1 15 SER HB2 2.600 . 3.000 1.762 1.737 1.786 0.063 17 0 "[ . 1 . 2]" 1
170 1 5 PHE HZ 1 15 SER HB3 2.600 . 3.000 2.744 2.619 2.952 . 0 0 "[ . 1 . 2]" 1
171 1 5 PHE HZ 1 22 ARG QB 2.800 . 5.500 4.175 3.695 4.542 . 0 0 "[ . 1 . 2]" 1
172 1 5 PHE HZ 1 32 VAL QG 2.700 . 5.500 4.783 4.666 4.907 . 0 0 "[ . 1 . 2]" 1
173 1 6 ARG H 1 6 ARG HB2 2.700 . 3.600 2.682 2.570 2.822 . 0 0 "[ . 1 . 2]" 1
174 1 6 ARG H 1 6 ARG HB3 2.800 . 3.800 3.745 3.591 3.881 0.081 9 0 "[ . 1 . 2]" 1
175 1 6 ARG H 1 30 VAL QG 4.000 . 5.000 3.030 2.811 3.170 . 0 0 "[ . 1 . 2]" 1
176 1 6 ARG H 1 32 VAL HB 3.500 . 5.000 4.582 4.491 5.096 0.096 13 0 "[ . 1 . 2]" 1
177 1 6 ARG HA 1 7 CYS H 2.200 . 2.800 2.153 2.130 2.170 . 0 0 "[ . 1 . 2]" 1
178 1 6 ARG HA 1 12 ALA H 3.200 . 4.500 4.286 4.098 4.491 . 0 0 "[ . 1 . 2]" 1
179 1 6 ARG HA 1 12 ALA HA 2.200 . 2.800 1.966 1.785 2.101 . 0 0 "[ . 1 . 2]" 1
180 1 6 ARG HA 1 12 ALA MB 2.500 . 3.300 2.946 2.640 3.210 . 0 0 "[ . 1 . 2]" 1
181 1 6 ARG HA 1 13 LEU H 2.900 . 4.000 3.683 3.459 3.880 . 0 0 "[ . 1 . 2]" 1
182 1 6 ARG HB2 1 12 ALA HA 3.400 . 4.800 4.869 4.763 5.031 0.231 9 0 "[ . 1 . 2]" 1
183 1 6 ARG HB2 1 38 PHE HB2 2.200 . 5.500 5.419 5.061 5.718 0.218 20 0 "[ . 1 . 2]" 1
184 1 6 ARG QG 1 12 ALA HA 2.700 . 3.600 3.181 2.922 3.408 . 0 0 "[ . 1 . 2]" 1
185 1 6 ARG QG 1 54 LEU QD 2.500 . 3.300 2.249 1.992 2.472 . 0 0 "[ . 1 . 2]" 1
186 1 7 CYS H 1 7 CYS HA 2.200 . 2.800 2.869 2.861 2.876 0.076 16 0 "[ . 1 . 2]" 1
187 1 7 CYS H 1 7 CYS QB 2.400 . 3.100 2.343 2.230 2.907 . 0 0 "[ . 1 . 2]" 1
188 1 7 CYS H 1 9 CYS QB 3.100 . 5.500 5.257 5.061 5.344 . 0 0 "[ . 1 . 2]" 1
189 1 7 CYS H 1 13 LEU HB2 4.100 . 5.500 5.297 4.761 5.532 0.032 9 0 "[ . 1 . 2]" 1
190 1 7 CYS H 1 30 VAL QG 3.600 . 5.500 2.787 2.570 3.080 . 0 0 "[ . 1 . 2]" 1
191 1 7 CYS HA 1 7 CYS QB 2.200 . 2.800 2.388 2.160 2.469 . 0 0 "[ . 1 . 2]" 1
192 1 7 CYS HA 1 8 ASP H 2.200 . 2.800 2.387 2.269 2.449 . 0 0 "[ . 1 . 2]" 1
193 1 7 CYS HA 1 9 CYS H 3.700 . 5.400 4.139 3.971 4.279 . 0 0 "[ . 1 . 2]" 1
194 1 7 CYS HA 1 30 VAL HA 2.200 . 3.000 1.807 1.744 2.044 0.056 9 0 "[ . 1 . 2]" 1
195 1 7 CYS QB 1 8 ASP H 3.600 . 5.200 3.221 2.840 3.361 . 0 0 "[ . 1 . 2]" 1
196 1 7 CYS QB 1 11 ARG H 2.600 . 3.400 2.519 2.193 3.080 . 0 0 "[ . 1 . 2]" 1
197 1 7 CYS QB 1 11 ARG HG3 2.300 . 3.000 2.403 1.844 3.011 0.011 18 0 "[ . 1 . 2]" 1
198 1 7 CYS QB 1 13 LEU H 3.100 . 5.500 5.250 5.150 5.319 . 0 0 "[ . 1 . 2]" 1
199 1 7 CYS QB 1 30 VAL QG 3.200 . 4.500 2.108 1.755 2.871 0.145 18 0 "[ . 1 . 2]" 1
200 1 8 ASP H 1 8 ASP HA 2.400 . 3.100 2.782 2.758 2.799 . 0 0 "[ . 1 . 2]" 1
201 1 8 ASP H 1 8 ASP HB2 2.800 . 3.800 2.481 2.065 3.586 . 0 0 "[ . 1 . 2]" 1
202 1 8 ASP H 1 8 ASP HB3 2.600 . 3.400 3.098 2.410 3.583 0.183 8 0 "[ . 1 . 2]" 1
203 1 8 ASP H 1 9 CYS H 2.400 . 3.100 2.703 2.638 2.786 . 0 0 "[ . 1 . 2]" 1
204 1 8 ASP H 1 9 CYS QB 3.700 . 5.400 4.660 4.402 5.111 . 0 0 "[ . 1 . 2]" 1
205 1 8 ASP H 1 30 VAL QG 4.000 . 5.000 3.523 2.751 4.019 . 0 0 "[ . 1 . 2]" 1
206 1 8 ASP HA 1 8 ASP HB2 2.700 . 3.600 2.753 2.400 3.027 . 0 0 "[ . 1 . 2]" 1
207 1 8 ASP HB2 1 9 CYS H 3.100 . 4.300 3.554 2.961 4.120 . 0 0 "[ . 1 . 2]" 1
208 1 8 ASP HB3 1 9 CYS H 3.100 . 4.300 3.508 2.902 4.231 . 0 0 "[ . 1 . 2]" 1
209 1 9 CYS H 1 9 CYS HA 2.600 . 3.400 2.867 2.863 2.870 . 0 0 "[ . 1 . 2]" 1
210 1 9 CYS H 1 9 CYS QB 2.400 . 3.100 2.369 2.261 2.724 . 0 0 "[ . 1 . 2]" 1
211 1 9 CYS H 1 10 GLY H 2.500 . 3.300 2.610 2.577 2.632 . 0 0 "[ . 1 . 2]" 1
212 1 9 CYS H 1 10 GLY HA2 4.200 . 5.500 4.908 4.862 4.935 . 0 0 "[ . 1 . 2]" 1
213 1 9 CYS H 1 11 ARG H 3.400 . 4.800 3.340 3.289 3.398 . 0 0 "[ . 1 . 2]" 1
214 1 9 CYS HA 1 9 CYS QB 2.000 . 2.500 2.377 2.246 2.403 . 0 0 "[ . 1 . 2]" 1
215 1 9 CYS QB 1 10 GLY H 2.700 . 3.600 3.449 3.428 3.487 . 0 0 "[ . 1 . 2]" 1
216 1 10 GLY H 1 10 GLY HA2 2.400 . 3.100 2.328 2.313 2.338 . 0 0 "[ . 1 . 2]" 1
217 1 10 GLY H 1 10 GLY HA3 2.600 . 3.400 2.896 2.878 2.907 . 0 0 "[ . 1 . 2]" 1
218 1 10 GLY H 1 11 ARG H 2.500 . 3.300 2.356 2.284 2.464 . 0 0 "[ . 1 . 2]" 1
219 1 10 GLY HA2 1 11 ARG H 2.900 . 4.000 3.125 3.029 3.243 . 0 0 "[ . 1 . 2]" 1
220 1 10 GLY HA3 1 11 ARG H 2.700 . 3.600 3.372 3.262 3.440 . 0 0 "[ . 1 . 2]" 1
221 1 11 ARG H 1 11 ARG HA 2.500 . 3.300 2.900 2.889 2.918 . 0 0 "[ . 1 . 2]" 1
222 1 11 ARG H 1 11 ARG QB 2.400 . 3.100 2.595 2.366 2.752 . 0 0 "[ . 1 . 2]" 1
223 1 11 ARG H 1 11 ARG HG2 2.800 . 3.800 2.511 1.987 3.233 . 0 0 "[ . 1 . 2]" 1
224 1 11 ARG H 1 12 ALA H 4.000 . 5.500 4.381 4.297 4.460 . 0 0 "[ . 1 . 2]" 1
225 1 11 ARG H 1 12 ALA HA 2.600 . 5.500 5.216 5.148 5.276 . 0 0 "[ . 1 . 2]" 1
226 1 11 ARG HA 1 12 ALA H 2.200 . 2.800 2.777 2.683 2.830 0.030 18 0 "[ . 1 . 2]" 1
227 1 11 ARG QB 1 12 ALA H 3.000 . 4.100 1.951 1.883 2.341 0.017 1 0 "[ . 1 . 2]" 1
228 1 11 ARG QB 1 55 GLN HA 2.500 . 5.500 4.944 4.452 5.305 . 0 0 "[ . 1 . 2]" 1
229 1 11 ARG HG3 1 13 LEU QD 2.400 . 5.500 4.544 3.015 5.669 0.169 15 0 "[ . 1 . 2]" 1
230 1 12 ALA H 1 12 ALA HA 2.300 . 3.000 2.882 2.866 2.894 . 0 0 "[ . 1 . 2]" 1
231 1 12 ALA H 1 12 ALA MB 2.200 . 2.800 2.724 2.678 2.785 . 0 0 "[ . 1 . 2]" 1
232 1 12 ALA H 1 13 LEU HG 3.000 . 5.500 4.184 3.732 5.555 0.055 7 0 "[ . 1 . 2]" 1
233 1 12 ALA H 1 51 VAL MG1 3.100 . 4.300 3.619 3.399 3.845 . 0 0 "[ . 1 . 2]" 1
234 1 12 ALA H 1 55 GLN HG2 3.600 . 5.200 3.946 2.933 4.800 . 0 0 "[ . 1 . 2]" 1
235 1 12 ALA HA 1 12 ALA MB 2.200 . 2.800 2.104 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
236 1 12 ALA HA 1 13 LEU H 2.000 . 2.500 2.292 2.195 2.370 . 0 0 "[ . 1 . 2]" 1
237 1 12 ALA MB 1 13 LEU H 2.400 . 3.100 2.769 2.540 3.082 . 0 0 "[ . 1 . 2]" 1
238 1 12 ALA MB 1 51 VAL HA 2.500 . 3.300 2.738 2.539 3.121 . 0 0 "[ . 1 . 2]" 1
239 1 12 ALA MB 1 51 VAL HB 4.000 . 5.000 4.404 4.173 4.640 . 0 0 "[ . 1 . 2]" 1
240 1 12 ALA MB 1 51 VAL MG1 2.100 . 2.700 2.032 1.544 2.378 . 0 0 "[ . 1 . 2]" 1
241 1 12 ALA MB 1 51 VAL MG2 2.600 . 3.400 3.240 2.961 3.415 0.015 1 0 "[ . 1 . 2]" 1
242 1 12 ALA MB 1 54 LEU HB2 2.800 . 3.800 2.773 2.527 2.929 . 0 0 "[ . 1 . 2]" 1
243 1 12 ALA MB 1 54 LEU QD 2.700 . 3.600 2.657 1.853 2.918 . 0 0 "[ . 1 . 2]" 1
244 1 12 ALA MB 1 55 GLN H 3.300 . 4.700 3.729 3.194 4.110 . 0 0 "[ . 1 . 2]" 1
245 1 12 ALA MB 1 55 GLN HA 3.200 . 4.500 3.345 2.644 4.116 . 0 0 "[ . 1 . 2]" 1
246 1 12 ALA MB 1 55 GLN HG2 2.800 . 3.800 3.560 2.867 4.447 0.647 4 2 "[ +. 1 . - 2]" 1
247 1 12 ALA MB 1 55 GLN HG3 4.000 . 5.000 3.793 2.555 5.014 0.014 20 0 "[ . 1 . 2]" 1
248 1 13 LEU H 1 13 LEU HA 2.800 . 3.800 2.925 2.913 2.942 . 0 0 "[ . 1 . 2]" 1
249 1 13 LEU H 1 13 LEU HB3 2.800 . 3.800 3.730 3.662 3.786 . 0 0 "[ . 1 . 2]" 1
250 1 13 LEU H 1 13 LEU HG 3.300 2.100 4.500 3.906 3.496 4.616 0.116 7 0 "[ . 1 . 2]" 1
251 1 13 LEU H 1 14 TYR H 3.400 . 4.800 4.393 4.364 4.436 . 0 0 "[ . 1 . 2]" 1
252 1 13 LEU H 1 30 VAL QG 2.800 . 3.800 3.637 3.326 3.766 . 0 0 "[ . 1 . 2]" 1
253 1 13 LEU H 1 54 LEU QD 3.300 . 5.500 5.082 3.808 5.257 . 0 0 "[ . 1 . 2]" 1
254 1 13 LEU HA 1 13 LEU HB2 2.500 . 3.300 2.979 2.954 3.001 . 0 0 "[ . 1 . 2]" 1
255 1 13 LEU HA 1 13 LEU HB3 2.700 . 3.600 2.641 2.580 2.698 . 0 0 "[ . 1 . 2]" 1
256 1 13 LEU HA 1 13 LEU HG 3.500 . 5.000 2.571 2.228 3.664 . 0 0 "[ . 1 . 2]" 1
257 1 13 LEU HA 1 14 TYR H 2.400 . 3.100 2.627 2.553 2.682 . 0 0 "[ . 1 . 2]" 1
258 1 13 LEU HA 1 51 VAL MG1 1.900 . 2.400 2.182 1.945 2.409 0.009 18 0 "[ . 1 . 2]" 1
259 1 13 LEU HB2 1 13 LEU HG 2.900 . 4.000 2.656 2.479 2.797 . 0 0 "[ . 1 . 2]" 1
260 1 13 LEU HB3 1 14 TYR H 2.400 . 3.100 1.975 1.866 2.098 . 0 0 "[ . 1 . 2]" 1
261 1 13 LEU QD 1 14 TYR H 2.100 . 2.700 2.545 2.287 2.697 . 0 0 "[ . 1 . 2]" 1
262 1 13 LEU HG 1 14 TYR H 4.400 . 5.500 4.135 3.834 4.534 . 0 0 "[ . 1 . 2]" 1
263 1 14 TYR H 1 14 TYR HA 2.600 . 3.400 2.940 2.934 2.948 . 0 0 "[ . 1 . 2]" 1
264 1 14 TYR H 1 14 TYR HB2 3.500 . 5.000 3.838 3.748 3.886 . 0 0 "[ . 1 . 2]" 1
265 1 14 TYR H 1 14 TYR HB3 3.400 . 4.800 3.262 3.059 3.383 . 0 0 "[ . 1 . 2]" 1
266 1 14 TYR H 1 15 SER H 3.200 . 4.500 4.378 4.342 4.422 . 0 0 "[ . 1 . 2]" 1
267 1 14 TYR H 1 15 SER HB2 2.600 . 5.500 4.600 4.517 4.744 . 0 0 "[ . 1 . 2]" 1
268 1 14 TYR H 1 51 VAL MG2 4.000 . 5.500 3.384 3.037 3.727 . 0 0 "[ . 1 . 2]" 1
269 1 14 TYR HA 1 15 SER H 2.200 . 2.800 2.223 2.187 2.237 . 0 0 "[ . 1 . 2]" 1
270 1 14 TYR HA 1 41 ALA MB 3.400 . 5.500 5.583 5.558 5.613 0.113 18 0 "[ . 1 . 2]" 1
271 1 14 TYR HA 1 47 ALA MB 4.700 . 5.500 4.576 4.076 4.959 . 0 0 "[ . 1 . 2]" 1
272 1 14 TYR HA 1 51 VAL MG2 3.300 . 4.700 3.499 3.333 3.715 . 0 0 "[ . 1 . 2]" 1
273 1 14 TYR HB2 1 15 SER H 2.700 . 3.600 2.970 2.920 3.035 . 0 0 "[ . 1 . 2]" 1
274 1 14 TYR HB2 1 41 ALA MB 3.200 . 5.500 4.502 4.222 4.722 . 0 0 "[ . 1 . 2]" 1
275 1 14 TYR HB2 1 47 ALA MB 3.000 . 4.100 2.669 2.020 3.121 . 0 0 "[ . 1 . 2]" 1
276 1 14 TYR HB2 1 51 VAL MG2 2.600 . 5.500 3.609 3.291 3.962 . 0 0 "[ . 1 . 2]" 1
277 1 14 TYR HB3 1 15 SER H 2.700 . 5.500 4.030 3.897 4.176 . 0 0 "[ . 1 . 2]" 1
278 1 15 SER H 1 15 SER HA 2.900 . 4.000 2.888 2.884 2.892 . 0 0 "[ . 1 . 2]" 1
279 1 15 SER H 1 15 SER HB2 3.200 . 4.500 3.285 3.198 3.334 . 0 0 "[ . 1 . 2]" 1
280 1 15 SER H 1 15 SER HB3 3.700 . 5.400 3.076 3.039 3.147 . 0 0 "[ . 1 . 2]" 1
281 1 15 SER H 1 51 VAL MG2 4.000 . 5.500 5.222 5.034 5.447 . 0 0 "[ . 1 . 2]" 1
282 1 15 SER HA 1 15 SER HB2 2.600 . 3.400 2.548 2.515 2.602 . 0 0 "[ . 1 . 2]" 1
283 1 15 SER HA 1 15 SER HB3 2.700 . 3.600 3.021 3.007 3.027 . 0 0 "[ . 1 . 2]" 1
284 1 15 SER HA 1 16 ARG H 2.100 . 2.700 2.702 2.659 2.724 0.024 18 0 "[ . 1 . 2]" 1
285 1 15 SER HB2 1 16 ARG H 3.000 . 4.100 3.594 3.555 3.674 . 0 0 "[ . 1 . 2]" 1
286 1 15 SER HB2 1 19 ALA MB 2.700 . 3.600 3.593 3.430 3.653 0.053 5 0 "[ . 1 . 2]" 1
287 1 15 SER HB3 1 16 ARG H 3.200 . 4.500 2.857 2.712 3.033 . 0 0 "[ . 1 . 2]" 1
288 1 15 SER HB3 1 18 GLY H 3.400 . 5.500 5.508 5.466 5.522 0.022 10 0 "[ . 1 . 2]" 1
289 1 15 SER HB3 1 19 ALA MB 2.800 . 3.800 2.528 2.383 2.636 . 0 0 "[ . 1 . 2]" 1
290 1 15 SER HB3 1 32 VAL QG 3.400 . 5.500 5.014 4.813 5.262 . 0 0 "[ . 1 . 2]" 1
291 1 16 ARG H 1 16 ARG HA 2.900 . 4.000 2.869 2.851 2.877 . 0 0 "[ . 1 . 2]" 1
292 1 16 ARG H 1 16 ARG QB 2.800 . 3.600 2.337 2.079 2.596 . 0 0 "[ . 1 . 2]" 1
293 1 16 ARG H 1 16 ARG QD 3.500 . 5.000 3.881 2.038 4.939 . 0 0 "[ . 1 . 2]" 1
294 1 16 ARG H 1 16 ARG QG 2.900 . 4.000 2.794 2.172 3.443 . 0 0 "[ . 1 . 2]" 1
295 1 16 ARG H 1 19 ALA MB 3.400 . 4.800 3.940 3.703 4.333 . 0 0 "[ . 1 . 2]" 1
296 1 16 ARG HA 1 16 ARG QB 2.600 . 3.400 2.316 2.168 2.537 . 0 0 "[ . 1 . 2]" 1
297 1 16 ARG HA 1 16 ARG QD 2.900 . 4.000 3.947 3.462 4.074 0.074 15 0 "[ . 1 . 2]" 1
298 1 16 ARG HA 1 16 ARG QG 3.000 . 4.100 2.871 2.003 3.392 . 0 0 "[ . 1 . 2]" 1
299 1 16 ARG HA 1 17 GLU H 2.000 . 2.500 2.255 2.223 2.310 . 0 0 "[ . 1 . 2]" 1
300 1 16 ARG QB 1 17 GLU H 2.900 . 4.000 2.850 2.597 3.087 . 0 0 "[ . 1 . 2]" 1
301 1 16 ARG QG 1 17 GLU H 2.900 . 4.000 3.507 2.983 3.883 . 0 0 "[ . 1 . 2]" 1
302 1 16 ARG QG 1 17 GLU HA 3.100 . 5.500 4.952 4.497 5.559 0.059 20 0 "[ . 1 . 2]" 1
303 1 17 GLU H 1 17 GLU HA 2.400 . 3.100 2.783 2.769 2.800 . 0 0 "[ . 1 . 2]" 1
304 1 17 GLU H 1 17 GLU HB2 2.400 . 3.100 2.324 2.134 2.608 . 0 0 "[ . 1 . 2]" 1
305 1 17 GLU H 1 17 GLU HB3 2.300 . 3.000 2.746 2.434 2.993 . 0 0 "[ . 1 . 2]" 1
306 1 17 GLU H 1 17 GLU HG2 3.500 . 5.000 4.354 4.004 4.600 . 0 0 "[ . 1 . 2]" 1
307 1 17 GLU HA 1 17 GLU HB3 2.100 . 2.700 3.004 2.969 3.025 0.325 13 0 "[ . 1 . 2]" 1
308 1 17 GLU HA 1 17 GLU HG2 2.300 . 3.000 2.627 2.139 3.835 0.835 4 3 "[ +. 1- . * 2]" 1
309 1 17 GLU HA 1 18 GLY H 2.600 . 3.400 2.162 2.146 2.169 . 0 0 "[ . 1 . 2]" 1
310 1 17 GLU HA 1 19 ALA H 3.200 . 4.500 3.585 3.549 3.614 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLU HA 1 37 ILE MD 2.200 . 5.500 5.024 4.622 5.141 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLU HG2 1 18 GLY H 3.800 . 5.500 3.541 3.076 4.604 . 0 0 "[ . 1 . 2]" 1
313 1 18 GLY H 1 18 GLY HA2 2.600 . 3.400 2.603 2.578 2.625 . 0 0 "[ . 1 . 2]" 1
314 1 18 GLY H 1 19 ALA H 2.800 . 3.800 1.862 1.815 1.904 . 0 0 "[ . 1 . 2]" 1
315 1 18 GLY HA2 1 19 ALA H 2.700 . 3.600 3.340 3.298 3.387 . 0 0 "[ . 1 . 2]" 1
316 1 18 GLY HA3 1 19 ALA H 3.000 . 4.100 3.220 3.155 3.271 . 0 0 "[ . 1 . 2]" 1
317 1 19 ALA H 1 19 ALA HA 2.400 . 3.100 2.863 2.855 2.870 . 0 0 "[ . 1 . 2]" 1
318 1 19 ALA H 1 19 ALA MB 2.100 . 2.700 2.163 2.064 2.265 . 0 0 "[ . 1 . 2]" 1
319 1 19 ALA H 1 20 LYS H 4.000 . 5.500 4.401 4.331 4.452 . 0 0 "[ . 1 . 2]" 1
320 1 19 ALA H 1 32 VAL QG 4.100 . 5.500 4.438 4.364 4.551 . 0 0 "[ . 1 . 2]" 1
321 1 19 ALA HA 1 19 ALA MB 2.000 . 2.500 2.104 2.080 2.124 . 0 0 "[ . 1 . 2]" 1
322 1 19 ALA HA 1 20 LYS H 2.400 . 3.100 2.144 2.128 2.159 . 0 0 "[ . 1 . 2]" 1
323 1 19 ALA HA 1 20 LYS QE 3.400 . 4.800 4.671 4.327 4.826 0.026 2 0 "[ . 1 . 2]" 1
324 1 19 ALA HA 1 37 ILE MD 2.400 . 5.500 5.513 5.435 5.528 0.028 18 0 "[ . 1 . 2]" 1
325 1 19 ALA MB 1 20 LYS H 2.800 . 3.800 3.338 3.273 3.416 . 0 0 "[ . 1 . 2]" 1
326 1 19 ALA MB 1 21 THR H 2.900 . 4.000 3.943 3.839 4.026 0.026 4 0 "[ . 1 . 2]" 1
327 1 19 ALA MB 1 32 VAL QG 2.500 . 3.300 2.741 2.624 2.897 . 0 0 "[ . 1 . 2]" 1
328 1 20 LYS H 1 20 LYS HA 2.600 . 3.400 2.910 2.903 2.918 . 0 0 "[ . 1 . 2]" 1
329 1 20 LYS H 1 20 LYS HB2 2.300 . 3.000 2.700 2.173 3.609 0.609 17 5 "[ * 1 - .*+ *2]" 1
330 1 20 LYS H 1 20 LYS HB3 2.800 . 3.800 3.254 2.250 3.663 . 0 0 "[ . 1 . 2]" 1
331 1 20 LYS H 1 20 LYS QD 2.400 . 3.100 2.320 1.739 3.041 . 0 0 "[ . 1 . 2]" 1
332 1 20 LYS H 1 21 THR H 2.600 . 3.400 2.314 2.244 2.376 . 0 0 "[ . 1 . 2]" 1
333 1 20 LYS HA 1 20 LYS HB3 2.200 . 2.800 2.583 2.301 2.752 . 0 0 "[ . 1 . 2]" 1
334 1 20 LYS HA 1 20 LYS QD 2.900 . 4.000 3.491 2.473 3.911 . 0 0 "[ . 1 . 2]" 1
335 1 20 LYS HA 1 20 LYS QE 4.500 . 5.500 4.367 2.884 5.044 . 0 0 "[ . 1 . 2]" 1
336 1 20 LYS HA 1 20 LYS HG3 2.400 . 3.100 2.852 2.154 4.050 0.950 17 6 "[ * 1 * -*+ *2]" 1
337 1 20 LYS HA 1 21 THR H 2.800 . 3.800 3.535 3.505 3.552 . 0 0 "[ . 1 . 2]" 1
338 1 20 LYS HA 1 21 THR MG 3.800 . 5.500 4.437 4.249 4.905 . 0 0 "[ . 1 . 2]" 1
339 1 20 LYS HA 1 32 VAL QG 3.000 . 4.100 2.196 1.931 2.501 . 0 0 "[ . 1 . 2]" 1
340 1 20 LYS HB2 1 21 THR H 2.500 . 3.300 2.983 2.386 4.133 0.833 13 5 "[ * 1 + .*- *2]" 1
341 1 20 LYS HB3 1 21 THR H 2.800 . 3.800 3.460 3.130 3.912 0.112 15 0 "[ . 1 . 2]" 1
342 1 20 LYS QD 1 21 THR MG 2.000 . 5.500 5.014 3.000 5.530 0.030 20 0 "[ . 1 . 2]" 1
343 1 21 THR H 1 21 THR HA 2.700 . 3.600 2.912 2.903 2.922 . 0 0 "[ . 1 . 2]" 1
344 1 21 THR H 1 21 THR HB 3.100 . 4.300 3.717 3.561 3.845 . 0 0 "[ . 1 . 2]" 1
345 1 21 THR H 1 21 THR MG 3.200 . 4.500 3.567 3.416 3.867 . 0 0 "[ . 1 . 2]" 1
346 1 21 THR HA 1 21 THR HB 2.200 . 2.800 2.672 2.580 2.813 0.013 17 0 "[ . 1 . 2]" 1
347 1 21 THR HA 1 21 THR MG 2.200 . 2.800 2.147 1.998 2.233 . 0 0 "[ . 1 . 2]" 1
348 1 21 THR HA 1 22 ARG H 2.100 . 2.700 2.140 2.123 2.180 . 0 0 "[ . 1 . 2]" 1
349 1 21 THR HA 1 31 ASN HA 2.200 . 3.000 2.895 2.646 3.013 0.013 13 0 "[ . 1 . 2]" 1
350 1 21 THR HA 1 31 ASN HB2 4.000 . 5.000 5.356 4.985 5.694 0.694 17 4 "[ *. 1 .*+- 2]" 1
351 1 21 THR HA 1 32 VAL H 2.300 . 3.000 2.896 2.647 3.005 0.005 20 0 "[ . 1 . 2]" 1
352 1 21 THR HA 1 32 VAL QG 2.400 . 3.100 2.804 2.573 2.934 . 0 0 "[ . 1 . 2]" 1
353 1 21 THR HB 1 21 THR MG 2.100 . 2.700 2.096 2.072 2.116 . 0 0 "[ . 1 . 2]" 1
354 1 21 THR HB 1 22 ARG H 2.200 . 5.500 3.687 3.505 3.819 . 0 0 "[ . 1 . 2]" 1
355 1 21 THR HB 1 30 VAL H 4.200 . 5.500 5.395 4.958 5.518 0.018 9 0 "[ . 1 . 2]" 1
356 1 21 THR HB 1 31 ASN HA 3.300 . 4.700 4.319 3.793 4.530 . 0 0 "[ . 1 . 2]" 1
357 1 21 THR MG 1 22 ARG H 2.800 . 3.800 3.760 3.399 3.847 0.047 13 0 "[ . 1 . 2]" 1
358 1 21 THR MG 1 31 ASN HA 2.300 . 3.000 2.438 1.879 2.760 . 0 0 "[ . 1 . 2]" 1
359 1 21 THR MG 1 32 VAL H 2.100 . 5.500 3.159 2.804 3.403 . 0 0 "[ . 1 . 2]" 1
360 1 21 THR MG 1 32 VAL QG 4.000 . 5.000 3.367 3.195 3.483 . 0 0 "[ . 1 . 2]" 1
361 1 22 ARG H 1 22 ARG HA 2.300 . 3.000 2.909 2.901 2.923 . 0 0 "[ . 1 . 2]" 1
362 1 22 ARG H 1 22 ARG QB 2.900 . 4.000 2.189 2.127 2.291 . 0 0 "[ . 1 . 2]" 1
363 1 22 ARG H 1 22 ARG HG2 3.300 . 4.700 4.048 3.263 4.710 0.010 17 0 "[ . 1 . 2]" 1
364 1 22 ARG H 1 29 THR MG 2.900 . 4.000 3.986 3.874 4.031 0.031 14 0 "[ . 1 . 2]" 1
365 1 22 ARG H 1 30 VAL H 3.000 . 4.100 3.915 3.782 4.051 . 0 0 "[ . 1 . 2]" 1
366 1 22 ARG H 1 30 VAL HA 3.100 . 5.500 4.988 4.843 5.241 . 0 0 "[ . 1 . 2]" 1
367 1 22 ARG H 1 30 VAL HB 3.500 . 5.000 3.310 2.858 5.116 0.116 7 0 "[ . 1 . 2]" 1
368 1 22 ARG H 1 30 VAL QG 3.300 . 4.700 3.509 2.258 3.882 . 0 0 "[ . 1 . 2]" 1
369 1 22 ARG H 1 32 VAL H 3.600 . 5.200 3.875 3.649 4.083 . 0 0 "[ . 1 . 2]" 1
370 1 22 ARG H 1 32 VAL QG 2.900 . 4.000 3.155 2.982 3.329 . 0 0 "[ . 1 . 2]" 1
371 1 22 ARG HA 1 22 ARG QB 2.400 . 3.100 2.504 2.149 2.541 . 0 0 "[ . 1 . 2]" 1
372 1 22 ARG HA 1 22 ARG HG2 2.800 . 3.800 2.724 2.033 4.125 0.325 14 0 "[ . 1 . 2]" 1
373 1 22 ARG HA 1 23 LYS H 2.400 . 3.100 2.775 2.625 2.946 . 0 0 "[ . 1 . 2]" 1
374 1 22 ARG HA 1 32 VAL QG 4.000 . 5.000 4.984 4.822 5.072 0.072 7 0 "[ . 1 . 2]" 1
375 1 22 ARG QB 1 22 ARG HD2 2.600 . 3.400 2.630 1.932 3.310 . 0 0 "[ . 1 . 2]" 1
376 1 22 ARG QB 1 23 LYS H 2.300 . 3.000 2.071 1.677 2.612 . 0 0 "[ . 1 . 2]" 1
377 1 22 ARG QB 1 23 LYS HA 2.400 . 5.500 3.902 3.809 4.718 . 0 0 "[ . 1 . 2]" 1
378 1 22 ARG QB 1 32 VAL QG 2.800 . 3.800 3.569 3.395 3.686 . 0 0 "[ . 1 . 2]" 1
379 1 22 ARG HD2 1 23 LYS H 3.000 . 4.100 3.657 2.197 4.603 0.503 17 1 "[ . 1 . + 2]" 1
380 1 23 LYS H 1 23 LYS HA 2.700 . 3.600 2.905 2.901 2.915 . 0 0 "[ . 1 . 2]" 1
381 1 23 LYS H 1 23 LYS HB2 2.400 . 3.100 3.314 3.175 3.417 0.317 14 0 "[ . 1 . 2]" 1
382 1 23 LYS H 1 23 LYS HB3 2.800 . 3.800 2.910 2.775 3.033 . 0 0 "[ . 1 . 2]" 1
383 1 23 LYS H 1 23 LYS HG2 3.700 . 5.400 4.622 4.332 4.936 . 0 0 "[ . 1 . 2]" 1
384 1 23 LYS H 1 24 CYS HA 3.200 . 5.500 4.653 4.619 4.699 . 0 0 "[ . 1 . 2]" 1
385 1 23 LYS H 1 25 VAL QG 3.600 . 5.500 5.411 5.318 5.480 . 0 0 "[ . 1 . 2]" 1
386 1 23 LYS H 1 29 THR HA 3.300 . 4.700 4.685 4.612 4.723 0.023 7 0 "[ . 1 . 2]" 1
387 1 23 LYS H 1 30 VAL H 4.000 . 5.000 3.767 3.561 4.036 . 0 0 "[ . 1 . 2]" 1
388 1 23 LYS H 1 30 VAL QG 2.900 . 4.000 3.270 2.611 3.943 . 0 0 "[ . 1 . 2]" 1
389 1 23 LYS HA 1 23 LYS HG3 2.800 . 3.800 2.538 2.301 2.822 . 0 0 "[ . 1 . 2]" 1
390 1 23 LYS HA 1 24 CYS H 2.100 . 2.700 2.214 2.178 2.254 . 0 0 "[ . 1 . 2]" 1
391 1 23 LYS HA 1 28 ARG QB 2.500 . 5.500 5.226 4.886 5.357 . 0 0 "[ . 1 . 2]" 1
392 1 23 LYS HA 1 29 THR HA 2.200 . 3.000 1.933 1.864 2.068 . 0 0 "[ . 1 . 2]" 1
393 1 23 LYS HA 1 30 VAL H 2.700 . 3.600 2.337 2.038 2.585 . 0 0 "[ . 1 . 2]" 1
394 1 23 LYS HB2 1 24 CYS H 3.200 . 4.500 4.050 3.958 4.220 . 0 0 "[ . 1 . 2]" 1
395 1 23 LYS HB3 1 24 CYS H 3.100 . 4.300 3.926 3.785 4.103 . 0 0 "[ . 1 . 2]" 1
396 1 23 LYS HG2 1 24 CYS H 2.700 . 3.600 2.885 2.135 3.741 0.141 13 0 "[ . 1 . 2]" 1
397 1 23 LYS HG2 1 25 VAL QG 3.200 . 4.500 4.326 3.765 4.548 0.048 6 0 "[ . 1 . 2]" 1
398 1 24 CYS H 1 24 CYS HA 2.600 . 3.400 2.926 2.921 2.932 . 0 0 "[ . 1 . 2]" 1
399 1 24 CYS H 1 24 CYS QB 2.500 . 3.100 2.281 2.182 2.382 . 0 0 "[ . 1 . 2]" 1
400 1 24 CYS H 1 25 VAL QG 3.500 . 5.000 4.869 4.837 4.923 . 0 0 "[ . 1 . 2]" 1
401 1 24 CYS H 1 29 THR HA 2.500 . 3.300 2.383 2.204 2.732 . 0 0 "[ . 1 . 2]" 1
402 1 24 CYS HA 1 24 CYS QB 2.500 . 3.300 2.478 2.187 2.542 . 0 0 "[ . 1 . 2]" 1
403 1 24 CYS HA 1 25 VAL H 2.000 . 2.500 2.134 2.112 2.145 . 0 0 "[ . 1 . 2]" 1
404 1 24 CYS HA 1 25 VAL QG 2.900 . 4.000 3.165 3.050 3.356 . 0 0 "[ . 1 . 2]" 1
405 1 24 CYS HA 1 26 CYS H 3.200 . 4.500 3.592 3.478 3.677 . 0 0 "[ . 1 . 2]" 1
406 1 24 CYS QB 1 25 VAL H 3.100 . 4.300 3.629 3.452 3.759 . 0 0 "[ . 1 . 2]" 1
407 1 24 CYS QB 1 26 CYS H 2.900 . 4.000 3.129 2.643 3.749 . 0 0 "[ . 1 . 2]" 1
408 1 24 CYS QB 1 28 ARG H 3.000 . 4.100 2.610 2.229 2.984 . 0 0 "[ . 1 . 2]" 1
409 1 24 CYS QB 1 28 ARG QB 2.400 . 3.100 2.404 1.993 2.944 . 0 0 "[ . 1 . 2]" 1
410 1 24 CYS QB 1 30 VAL QG 2.900 . 5.500 2.927 2.559 3.780 . 0 0 "[ . 1 . 2]" 1
411 1 25 VAL H 1 25 VAL HA 2.300 . 3.000 2.832 2.823 2.837 . 0 0 "[ . 1 . 2]" 1
412 1 25 VAL H 1 25 VAL HB 2.500 . 3.300 2.940 2.801 3.337 0.037 14 0 "[ . 1 . 2]" 1
413 1 25 VAL H 1 25 VAL QG 2.100 . 2.700 1.641 1.483 1.930 0.017 14 0 "[ . 1 . 2]" 1
414 1 25 VAL H 1 26 CYS H 2.800 . 3.800 2.551 2.529 2.589 . 0 0 "[ . 1 . 2]" 1
415 1 25 VAL H 1 26 CYS HB2 3.500 . 5.000 4.635 4.396 4.995 . 0 0 "[ . 1 . 2]" 1
416 1 25 VAL HA 1 25 VAL HB 2.500 . 3.300 2.833 2.199 2.998 . 0 0 "[ . 1 . 2]" 1
417 1 25 VAL HA 1 25 VAL QG 2.100 . 2.700 2.157 1.974 2.584 . 0 0 "[ . 1 . 2]" 1
418 1 25 VAL HA 1 26 CYS H 2.800 . 3.800 3.422 3.385 3.451 . 0 0 "[ . 1 . 2]" 1
419 1 25 VAL HB 1 25 VAL QG 2.000 . 2.500 1.871 1.859 1.884 . 0 0 "[ . 1 . 2]" 1
420 1 25 VAL QG 1 26 CYS H 2.700 . 3.600 3.278 2.701 3.431 . 0 0 "[ . 1 . 2]" 1
421 1 25 VAL QG 1 26 CYS HB2 2.300 . 5.500 4.517 3.612 4.853 . 0 0 "[ . 1 . 2]" 1
422 1 26 CYS H 1 26 CYS HA 2.500 . 3.300 2.843 2.835 2.851 . 0 0 "[ . 1 . 2]" 1
423 1 26 CYS H 1 26 CYS HB2 2.300 . 3.000 2.398 2.190 2.712 . 0 0 "[ . 1 . 2]" 1
424 1 26 CYS H 1 26 CYS HB3 2.300 . 3.000 2.707 2.386 2.972 . 0 0 "[ . 1 . 2]" 1
425 1 26 CYS H 1 27 GLY H 2.200 . 2.800 2.521 2.494 2.557 . 0 0 "[ . 1 . 2]" 1
426 1 26 CYS HA 1 27 GLY H 2.700 . 3.600 3.457 3.402 3.519 . 0 0 "[ . 1 . 2]" 1
427 1 26 CYS HB3 1 28 ARG H 4.000 . 5.500 4.809 4.542 5.096 . 0 0 "[ . 1 . 2]" 1
428 1 27 GLY H 1 27 GLY HA2 2.500 . 3.300 2.522 2.480 2.596 . 0 0 "[ . 1 . 2]" 1
429 1 27 GLY H 1 27 GLY HA3 2.300 . 3.000 2.953 2.938 2.957 . 0 0 "[ . 1 . 2]" 1
430 1 27 GLY H 1 28 ARG H 2.500 . 3.300 2.346 2.142 2.555 . 0 0 "[ . 1 . 2]" 1
431 1 27 GLY H 1 28 ARG QB 4.100 . 5.500 4.037 3.574 4.703 . 0 0 "[ . 1 . 2]" 1
432 1 27 GLY HA2 1 28 ARG H 3.500 . 5.000 2.577 2.453 2.708 . 0 0 "[ . 1 . 2]" 1
433 1 27 GLY HA3 1 28 ARG H 2.600 . 3.400 3.569 3.556 3.582 0.182 16 0 "[ . 1 . 2]" 1
434 1 28 ARG H 1 28 ARG HA 2.400 . 3.100 2.834 2.824 2.885 . 0 0 "[ . 1 . 2]" 1
435 1 28 ARG H 1 28 ARG QB 2.900 . 4.000 3.079 2.827 3.430 . 0 0 "[ . 1 . 2]" 1
436 1 28 ARG H 1 28 ARG HG3 2.900 . 4.100 3.915 2.742 4.976 0.876 19 2 "[ . 1 .- +2]" 1
437 1 28 ARG H 1 29 THR HA 3.000 . 5.500 4.616 4.578 4.651 . 0 0 "[ . 1 . 2]" 1
438 1 28 ARG HA 1 29 THR H 2.200 . 2.800 2.732 2.636 2.798 . 0 0 "[ . 1 . 2]" 1
439 1 28 ARG QB 1 29 THR H 2.800 . 3.800 1.854 1.770 2.055 0.030 7 0 "[ . 1 . 2]" 1
440 1 28 ARG QB 1 29 THR MG 2.000 . 5.500 5.032 4.966 5.121 . 0 0 "[ . 1 . 2]" 1
441 1 29 THR H 1 29 THR HA 2.600 . 3.400 2.927 2.916 2.936 . 0 0 "[ . 1 . 2]" 1
442 1 29 THR H 1 29 THR HB 2.200 . 2.800 2.789 2.726 2.822 0.022 12 0 "[ . 1 . 2]" 1
443 1 29 THR H 1 29 THR MG 3.200 . 4.500 3.921 3.874 3.940 . 0 0 "[ . 1 . 2]" 1
444 1 29 THR H 1 30 VAL HA 3.900 . 5.500 4.666 4.614 4.710 . 0 0 "[ . 1 . 2]" 1
445 1 29 THR HA 1 30 VAL H 2.100 . 2.700 2.191 2.168 2.214 . 0 0 "[ . 1 . 2]" 1
446 1 29 THR HB 1 29 THR MG 2.100 . 2.700 2.087 2.069 2.116 . 0 0 "[ . 1 . 2]" 1
447 1 29 THR HB 1 30 VAL H 3.500 . 5.000 4.097 4.000 4.172 . 0 0 "[ . 1 . 2]" 1
448 1 29 THR MG 1 30 VAL H 2.600 . 3.400 2.367 2.156 2.576 . 0 0 "[ . 1 . 2]" 1
449 1 30 VAL H 1 30 VAL HA 2.800 . 3.800 2.928 2.920 2.943 . 0 0 "[ . 1 . 2]" 1
450 1 30 VAL H 1 30 VAL HB 2.500 . 3.300 2.694 2.538 3.224 . 0 0 "[ . 1 . 2]" 1
451 1 30 VAL H 1 30 VAL QG 2.300 . 3.000 2.344 1.923 2.473 . 0 0 "[ . 1 . 2]" 1
452 1 30 VAL HA 1 30 VAL QG 2.100 . 2.700 2.099 1.996 2.415 . 0 0 "[ . 1 . 2]" 1
453 1 30 VAL HA 1 31 ASN H 2.000 . 2.500 2.126 2.112 2.138 . 0 0 "[ . 1 . 2]" 1
454 1 30 VAL HB 1 30 VAL QG 2.100 . 2.700 1.875 1.861 1.890 . 0 0 "[ . 1 . 2]" 1
455 1 30 VAL HB 1 31 ASN H 3.100 . 4.300 4.234 4.000 4.322 0.022 18 0 "[ . 1 . 2]" 1
456 1 30 VAL QG 1 31 ASN H 3.000 . 3.400 2.800 2.503 2.962 . 0 0 "[ . 1 . 2]" 1
457 1 30 VAL QG 1 32 VAL QG 2.700 . 5.500 3.400 3.141 3.712 . 0 0 "[ . 1 . 2]" 1
458 1 31 ASN H 1 31 ASN HA 2.800 . 3.800 2.926 2.914 2.939 . 0 0 "[ . 1 . 2]" 1
459 1 31 ASN H 1 31 ASN HB2 2.500 . 3.300 2.615 2.216 3.355 0.055 16 0 "[ . 1 . 2]" 1
460 1 31 ASN H 1 31 ASN HB3 2.300 . 3.000 2.886 2.386 3.358 0.358 16 0 "[ . 1 . 2]" 1
461 1 31 ASN HA 1 31 ASN HB2 2.300 . 3.000 2.651 2.397 2.882 . 0 0 "[ . 1 . 2]" 1
462 1 31 ASN HA 1 32 VAL H 2.000 . 2.500 2.160 2.148 2.166 . 0 0 "[ . 1 . 2]" 1
463 1 31 ASN HA 1 32 VAL QG 2.600 . 5.500 3.353 3.258 3.467 . 0 0 "[ . 1 . 2]" 1
464 1 32 VAL H 1 32 VAL HA 2.600 . 3.400 2.839 2.827 2.857 . 0 0 "[ . 1 . 2]" 1
465 1 32 VAL H 1 32 VAL HB 2.400 . 5.500 3.570 2.608 3.628 . 0 0 "[ . 1 . 2]" 1
466 1 32 VAL H 1 32 VAL QG 2.200 . 2.800 1.884 1.718 2.017 0.082 11 0 "[ . 1 . 2]" 1
467 1 32 VAL H 1 33 LYS H 2.900 . 5.500 4.506 4.468 4.632 . 0 0 "[ . 1 . 2]" 1
468 1 32 VAL HA 1 32 VAL QG 2.200 . 2.800 2.404 2.108 2.492 . 0 0 "[ . 1 . 2]" 1
469 1 32 VAL HA 1 33 LYS H 3.100 . 4.300 2.721 2.507 2.769 . 0 0 "[ . 1 . 2]" 1
470 1 32 VAL HA 1 37 ILE MD 2.900 . 4.000 3.439 3.358 4.024 0.024 13 0 "[ . 1 . 2]" 1
471 1 32 VAL HA 1 37 ILE HG12 2.600 . 5.500 5.512 5.450 5.530 0.030 13 0 "[ . 1 . 2]" 1
472 1 32 VAL HB 1 32 VAL QG 2.000 . 2.500 1.873 1.857 1.894 . 0 0 "[ . 1 . 2]" 1
473 1 32 VAL HB 1 33 LYS H 2.800 . 3.800 2.173 2.035 3.372 . 0 0 "[ . 1 . 2]" 1
474 1 32 VAL QG 1 33 LYS H 3.000 . 4.100 2.258 1.802 2.415 0.098 13 0 "[ . 1 . 2]" 1
475 1 32 VAL QG 1 33 LYS HA 3.200 . 4.500 3.848 3.778 3.935 . 0 0 "[ . 1 . 2]" 1
476 1 32 VAL QG 1 36 ARG HA 4.000 . 5.000 5.014 4.931 5.052 0.052 6 0 "[ . 1 . 2]" 1
477 1 32 VAL QG 1 37 ILE MD . . 3.000 2.060 1.787 2.162 0.213 13 0 "[ . 1 . 2]" 1
478 1 33 LYS H 1 33 LYS HA 2.300 . 3.000 2.786 2.758 2.799 . 0 0 "[ . 1 . 2]" 1
479 1 33 LYS H 1 33 LYS HB2 2.300 . 3.000 2.155 2.040 3.617 0.617 11 1 "[ . 1+ . 2]" 1
480 1 33 LYS H 1 33 LYS HB3 2.400 . 5.500 3.175 2.576 3.466 . 0 0 "[ . 1 . 2]" 1
481 1 33 LYS H 1 33 LYS HG2 2.900 . 4.000 3.916 2.449 4.549 0.549 19 1 "[ . 1 . +2]" 1
482 1 33 LYS H 1 34 ASP H 2.900 . 5.500 4.576 4.551 4.588 . 0 0 "[ . 1 . 2]" 1
483 1 33 LYS HA 1 34 ASP H 2.500 . 3.300 2.608 2.582 2.658 . 0 0 "[ . 1 . 2]" 1
484 1 33 LYS HA 1 35 ARG H 3.300 . 4.700 4.667 4.457 4.727 0.027 16 0 "[ . 1 . 2]" 1
485 1 33 LYS HB2 1 38 PHE HA 4.000 . 5.000 4.086 3.619 5.748 0.748 11 1 "[ . 1+ . 2]" 1
486 1 33 LYS HB3 1 34 ASP H 2.900 . 4.000 2.495 2.104 3.553 . 0 0 "[ . 1 . 2]" 1
487 1 33 LYS HB3 1 35 ARG H 2.700 . 3.600 2.922 2.557 4.386 0.786 11 1 "[ . 1+ . 2]" 1
488 1 33 LYS HB3 1 36 ARG H 3.400 . 4.800 4.191 3.983 5.729 0.929 11 1 "[ . 1+ . 2]" 1
489 1 34 ASP H 1 34 ASP HA 2.500 . 3.300 2.908 2.901 2.911 . 0 0 "[ . 1 . 2]" 1
490 1 34 ASP H 1 34 ASP HB2 2.600 . 3.400 2.472 2.161 3.545 0.145 4 0 "[ . 1 . 2]" 1
491 1 34 ASP HA 1 34 ASP HB3 2.200 . 2.800 2.720 2.285 3.028 0.228 20 0 "[ . 1 . 2]" 1
492 1 34 ASP HA 1 35 ARG H 3.100 . 4.300 3.538 3.493 3.548 . 0 0 "[ . 1 . 2]" 1
493 1 34 ASP HB2 1 35 ARG H 3.000 . 4.100 3.074 2.437 3.800 . 0 0 "[ . 1 . 2]" 1
494 1 34 ASP HB3 1 35 ARG H 2.800 . 3.800 3.143 2.493 4.027 0.227 19 0 "[ . 1 . 2]" 1
495 1 35 ARG H 1 35 ARG HA 2.500 . 3.300 2.902 2.894 2.907 . 0 0 "[ . 1 . 2]" 1
496 1 35 ARG H 1 35 ARG HB2 2.400 . 3.100 2.567 2.175 3.537 0.437 17 0 "[ . 1 . 2]" 1
497 1 35 ARG H 1 36 ARG QG 2.400 . 5.500 5.160 4.939 5.515 0.015 13 0 "[ . 1 . 2]" 1
498 1 35 ARG HA 1 36 ARG H 2.000 . 5.500 3.400 3.202 3.434 . 0 0 "[ . 1 . 2]" 1
499 1 35 ARG HB3 1 36 ARG H 2.300 . 3.000 2.079 1.592 3.299 0.299 18 0 "[ . 1 . 2]" 1
500 1 35 ARG HG3 1 36 ARG H 3.100 . 4.300 3.622 1.924 4.368 0.068 4 0 "[ . 1 . 2]" 1
501 1 36 ARG H 1 36 ARG HA 2.700 . 3.600 2.873 2.860 2.896 . 0 0 "[ . 1 . 2]" 1
502 1 36 ARG H 1 36 ARG HB2 2.500 . 3.300 2.698 2.503 2.834 . 0 0 "[ . 1 . 2]" 1
503 1 36 ARG H 1 36 ARG HD2 3.700 . 5.400 4.174 2.671 4.996 . 0 0 "[ . 1 . 2]" 1
504 1 36 ARG H 1 36 ARG QG 2.900 . 4.000 2.030 1.786 2.375 0.014 6 0 "[ . 1 . 2]" 1
505 1 36 ARG HA 1 37 ILE H 2.000 . 5.500 3.486 3.456 3.541 . 0 0 "[ . 1 . 2]" 1
506 1 36 ARG HB2 1 37 ILE H 3.000 . 5.500 1.589 1.494 1.732 . 0 0 "[ . 1 . 2]" 1
507 1 36 ARG QG 1 37 ILE H 2.700 . 3.600 3.548 3.346 3.637 0.037 14 0 "[ . 1 . 2]" 1
508 1 37 ILE H 1 37 ILE HA 3.000 . 4.100 2.896 2.889 2.902 . 0 0 "[ . 1 . 2]" 1
509 1 37 ILE H 1 37 ILE HB 2.400 . 3.100 2.837 2.822 2.859 . 0 0 "[ . 1 . 2]" 1
510 1 37 ILE H 1 37 ILE MD 3.600 . 5.200 4.575 4.539 4.660 . 0 0 "[ . 1 . 2]" 1
511 1 37 ILE H 1 37 ILE HG12 3.000 . 4.100 4.109 4.067 4.145 0.045 17 0 "[ . 1 . 2]" 1
512 1 37 ILE H 1 37 ILE MG 2.700 . 3.600 3.424 3.368 3.467 . 0 0 "[ . 1 . 2]" 1
513 1 37 ILE HA 1 37 ILE MG 2.400 . 3.100 2.905 2.877 2.936 . 0 0 "[ . 1 . 2]" 1
514 1 37 ILE HA 1 38 PHE H 2.200 . 2.800 2.316 2.277 2.350 . 0 0 "[ . 1 . 2]" 1
515 1 37 ILE HB 1 37 ILE MD 2.300 . 5.500 3.214 3.190 3.220 . 0 0 "[ . 1 . 2]" 1
516 1 37 ILE HB 1 37 ILE MG 2.000 . 2.500 2.123 2.121 2.126 . 0 0 "[ . 1 . 2]" 1
517 1 37 ILE HB 1 38 PHE H 3.400 . 4.800 4.129 4.081 4.187 . 0 0 "[ . 1 . 2]" 1
518 1 37 ILE MD 1 37 ILE HG12 2.200 . 2.800 2.113 2.100 2.118 . 0 0 "[ . 1 . 2]" 1
519 1 37 ILE MD 1 37 ILE HG13 1.900 . 2.400 2.113 2.098 2.119 . 0 0 "[ . 1 . 2]" 1
520 1 37 ILE MD 1 37 ILE MG 2.100 . 2.700 1.749 1.620 1.917 . 0 0 "[ . 1 . 2]" 1
521 1 37 ILE MD 1 38 PHE H 3.100 . 4.300 2.284 2.049 2.424 . 0 0 "[ . 1 . 2]" 1
522 1 37 ILE MD 1 40 ARG HA 3.000 . 5.500 5.489 5.165 5.529 0.029 3 0 "[ . 1 . 2]" 1
523 1 37 ILE HG12 1 37 ILE MG 2.600 . 3.400 3.192 3.167 3.199 . 0 0 "[ . 1 . 2]" 1
524 1 37 ILE HG13 1 37 ILE MG 2.200 . 2.800 2.555 2.519 2.645 . 0 0 "[ . 1 . 2]" 1
525 1 37 ILE MG 1 38 PHE H 2.600 . 3.400 2.296 2.177 2.400 . 0 0 "[ . 1 . 2]" 1
526 1 37 ILE MG 1 38 PHE HB2 3.500 . 5.000 4.232 4.111 4.373 . 0 0 "[ . 1 . 2]" 1
527 1 37 ILE MG 1 39 GLY H 2.400 . 5.500 4.190 4.131 4.252 . 0 0 "[ . 1 . 2]" 1
528 1 37 ILE MG 1 40 ARG H 3.100 . 5.500 4.257 4.206 4.339 . 0 0 "[ . 1 . 2]" 1
529 1 38 PHE H 1 38 PHE HA 3.000 . 4.100 2.918 2.915 2.921 . 0 0 "[ . 1 . 2]" 1
530 1 38 PHE H 1 38 PHE HB2 3.100 . 4.300 2.423 2.324 2.674 . 0 0 "[ . 1 . 2]" 1
531 1 38 PHE H 1 38 PHE HB3 2.700 . 3.600 2.878 2.568 3.001 . 0 0 "[ . 1 . 2]" 1
532 1 38 PHE H 1 38 PHE QD 3.400 . 4.800 4.172 4.129 4.238 . 0 0 "[ . 1 . 2]" 1
533 1 38 PHE H 1 39 GLY H 2.400 . 5.500 4.563 4.555 4.570 . 0 0 "[ . 1 . 2]" 1
534 1 38 PHE HA 1 38 PHE QD 2.400 . 3.100 2.888 1.998 3.098 . 0 0 "[ . 1 . 2]" 1
535 1 38 PHE HA 1 39 GLY H 2.800 . 3.800 2.276 2.233 2.317 . 0 0 "[ . 1 . 2]" 1
536 1 38 PHE HB2 1 38 PHE QD 2.600 . 3.400 2.322 2.264 2.411 . 0 0 "[ . 1 . 2]" 1
537 1 38 PHE HB2 1 54 LEU QD 3.600 . 5.200 4.091 3.645 4.562 . 0 0 "[ . 1 . 2]" 1
538 1 38 PHE HB3 1 38 PHE QD 2.500 . 3.300 2.519 2.359 2.749 . 0 0 "[ . 1 . 2]" 1
539 1 38 PHE HB3 1 39 GLY H 3.400 . 4.800 3.503 3.347 3.875 . 0 0 "[ . 1 . 2]" 1
540 1 38 PHE HB3 1 54 LEU QD 3.400 . 4.500 3.288 2.854 3.802 . 0 0 "[ . 1 . 2]" 1
541 1 38 PHE QD 1 54 LEU QD 3.000 . 4.000 2.305 2.061 2.741 . 0 0 "[ . 1 . 2]" 1
542 1 38 PHE QE 1 54 LEU QD 3.200 . 4.000 2.105 1.761 2.762 0.039 8 0 "[ . 1 . 2]" 1
543 1 38 PHE HZ 1 54 LEU QD 3.200 . 4.000 3.364 2.755 3.583 . 0 0 "[ . 1 . 2]" 1
544 1 39 GLY H 1 39 GLY HA2 2.300 . 3.000 2.301 2.296 2.307 . 0 0 "[ . 1 . 2]" 1
545 1 39 GLY H 1 39 GLY HA3 2.800 . 3.800 2.728 2.702 2.744 . 0 0 "[ . 1 . 2]" 1
546 1 39 GLY HA2 1 40 ARG H 2.100 . 2.700 2.259 2.231 2.290 . 0 0 "[ . 1 . 2]" 1
547 1 39 GLY HA2 1 50 LEU QD 3.400 . 4.800 2.246 1.996 2.456 0.004 17 0 "[ . 1 . 2]" 1
548 1 39 GLY HA3 1 40 ARG H 2.200 . 5.500 3.479 3.457 3.500 . 0 0 "[ . 1 . 2]" 1
549 1 39 GLY HA3 1 50 LEU QD 4.000 . 5.000 2.185 1.792 2.536 0.008 20 0 "[ . 1 . 2]" 1
550 1 40 ARG H 1 40 ARG HA 2.500 . 3.300 2.918 2.912 2.923 . 0 0 "[ . 1 . 2]" 1
551 1 40 ARG H 1 40 ARG HB2 2.700 . 3.600 2.383 2.265 2.606 . 0 0 "[ . 1 . 2]" 1
552 1 40 ARG H 1 40 ARG HB3 2.700 . 3.600 2.949 2.667 3.150 . 0 0 "[ . 1 . 2]" 1
553 1 40 ARG H 1 40 ARG QD 4.100 . 5.500 4.382 3.634 4.890 . 0 0 "[ . 1 . 2]" 1
554 1 40 ARG H 1 40 ARG QG 3.000 . 4.100 3.957 3.748 4.133 0.033 2 0 "[ . 1 . 2]" 1
555 1 40 ARG H 1 41 ALA MB 3.400 . 4.800 4.860 4.829 4.885 0.085 20 0 "[ . 1 . 2]" 1
556 1 40 ARG H 1 50 LEU QD 2.900 . 4.000 3.044 2.719 3.357 . 0 0 "[ . 1 . 2]" 1
557 1 40 ARG HA 1 40 ARG HB2 2.600 . 3.400 2.707 2.563 2.802 . 0 0 "[ . 1 . 2]" 1
558 1 40 ARG HA 1 40 ARG HB3 2.400 . 3.100 2.950 2.888 3.005 . 0 0 "[ . 1 . 2]" 1
559 1 40 ARG HA 1 40 ARG QD 3.200 . 4.500 2.621 1.910 3.038 . 0 0 "[ . 1 . 2]" 1
560 1 40 ARG HA 1 40 ARG QG 2.400 . 3.100 2.315 2.103 2.794 . 0 0 "[ . 1 . 2]" 1
561 1 40 ARG HA 1 41 ALA H 2.100 . 2.700 2.225 2.172 2.247 . 0 0 "[ . 1 . 2]" 1
562 1 40 ARG HA 1 41 ALA MB 2.500 . 5.500 4.119 4.073 4.148 . 0 0 "[ . 1 . 2]" 1
563 1 40 ARG HA 1 50 LEU QD 3.300 . 4.700 3.950 3.705 4.332 . 0 0 "[ . 1 . 2]" 1
564 1 40 ARG HB2 1 41 ALA H 3.600 . 5.200 4.636 4.587 4.652 . 0 0 "[ . 1 . 2]" 1
565 1 40 ARG HB3 1 41 ALA H 3.100 . 4.300 4.250 4.118 4.357 0.057 10 0 "[ . 1 . 2]" 1
566 1 40 ARG HB3 1 41 ALA MB 2.400 . 5.500 5.345 5.278 5.425 . 0 0 "[ . 1 . 2]" 1
567 1 40 ARG HB3 1 42 ASP H 4.100 . 5.500 5.253 4.936 5.508 0.008 10 0 "[ . 1 . 2]" 1
568 1 40 ARG QD 1 41 ALA H 2.800 . 3.800 3.627 3.498 3.737 . 0 0 "[ . 1 . 2]" 1
569 1 40 ARG QG 1 41 ALA H 3.000 . 4.100 3.962 3.785 4.024 . 0 0 "[ . 1 . 2]" 1
570 1 41 ALA H 1 41 ALA HA 2.500 . 3.300 2.916 2.910 2.924 . 0 0 "[ . 1 . 2]" 1
571 1 41 ALA H 1 41 ALA MB 2.300 . 3.000 2.258 2.239 2.287 . 0 0 "[ . 1 . 2]" 1
572 1 41 ALA H 1 50 LEU QD 4.000 . 5.500 3.102 2.827 3.689 . 0 0 "[ . 1 . 2]" 1
573 1 41 ALA HA 1 42 ASP H 2.100 . 2.700 2.142 2.131 2.161 . 0 0 "[ . 1 . 2]" 1
574 1 41 ALA MB 1 42 ASP H 2.600 . 3.400 3.265 3.156 3.385 . 0 0 "[ . 1 . 2]" 1
575 1 41 ALA MB 1 43 ASP H 2.500 . 3.300 3.366 3.350 3.390 0.090 17 0 "[ . 1 . 2]" 1
576 1 41 ALA MB 1 43 ASP HB3 2.400 . 5.500 4.977 4.300 5.556 0.056 8 0 "[ . 1 . 2]" 1
577 1 41 ALA MB 1 46 GLU H 3.600 . 5.200 4.213 4.036 4.388 . 0 0 "[ . 1 . 2]" 1
578 1 41 ALA MB 1 46 GLU HA 3.200 . 4.500 4.403 4.249 4.523 0.023 18 0 "[ . 1 . 2]" 1
579 1 41 ALA MB 1 46 GLU QB 2.600 . 3.400 2.568 2.284 2.764 . 0 0 "[ . 1 . 2]" 1
580 1 41 ALA MB 1 47 ALA H 2.600 . 3.400 2.927 2.743 3.095 . 0 0 "[ . 1 . 2]" 1
581 1 41 ALA MB 1 47 ALA HA 2.400 . 3.100 2.101 1.989 2.269 . 0 0 "[ . 1 . 2]" 1
582 1 41 ALA MB 1 47 ALA MB 2.200 . 2.800 2.486 2.302 2.725 . 0 0 "[ . 1 . 2]" 1
583 1 41 ALA MB 1 50 LEU QD 2.300 . 3.000 1.752 1.587 2.284 0.013 9 0 "[ . 1 . 2]" 1
584 1 41 ALA MB 1 51 VAL MG2 2.300 . 5.500 4.492 4.320 4.656 . 0 0 "[ . 1 . 2]" 1
585 1 42 ASP H 1 42 ASP HA 2.600 . 3.400 2.892 2.882 2.901 . 0 0 "[ . 1 . 2]" 1
586 1 42 ASP H 1 42 ASP HB2 2.500 . 3.300 2.721 2.137 3.339 0.039 11 0 "[ . 1 . 2]" 1
587 1 42 ASP H 1 42 ASP HB3 2.500 . 3.300 2.942 2.355 3.323 0.023 13 0 "[ . 1 . 2]" 1
588 1 42 ASP H 1 43 ASP H 2.400 . 3.100 2.324 2.276 2.365 . 0 0 "[ . 1 . 2]" 1
589 1 42 ASP H 1 46 GLU QB 3.500 . 5.000 3.870 3.634 4.146 . 0 0 "[ . 1 . 2]" 1
590 1 42 ASP HA 1 43 ASP H 3.100 . 4.300 3.503 3.476 3.523 . 0 0 "[ . 1 . 2]" 1
591 1 42 ASP HB2 1 43 ASP H 4.400 . 5.500 3.531 3.084 4.069 . 0 0 "[ . 1 . 2]" 1
592 1 42 ASP HB3 1 43 ASP H 3.300 . 4.700 3.256 2.654 4.264 . 0 0 "[ . 1 . 2]" 1
593 1 43 ASP H 1 43 ASP HA 2.500 . 3.300 2.912 2.907 2.919 . 0 0 "[ . 1 . 2]" 1
594 1 43 ASP H 1 43 ASP HB2 3.900 . 5.500 2.302 2.179 2.670 . 0 0 "[ . 1 . 2]" 1
595 1 43 ASP H 1 43 ASP HB3 2.800 . 3.800 3.361 2.788 3.653 . 0 0 "[ . 1 . 2]" 1
596 1 43 ASP H 1 46 GLU H 3.300 . 4.700 4.255 4.135 4.410 . 0 0 "[ . 1 . 2]" 1
597 1 43 ASP HA 1 43 ASP HB2 2.300 . 3.000 2.907 2.626 3.024 0.024 7 0 "[ . 1 . 2]" 1
598 1 43 ASP HA 1 43 ASP HB3 2.300 . 3.000 2.723 2.374 2.999 . 0 0 "[ . 1 . 2]" 1
599 1 43 ASP HA 1 44 PHE H 2.400 . 3.100 2.181 2.162 2.203 . 0 0 "[ . 1 . 2]" 1
600 1 43 ASP HB2 1 44 PHE H 3.200 . 4.500 4.312 4.032 4.445 . 0 0 "[ . 1 . 2]" 1
601 1 43 ASP HB3 1 45 GLU H 3.400 . 4.800 2.931 2.629 3.583 . 0 0 "[ . 1 . 2]" 1
602 1 44 PHE H 1 44 PHE QB 3.000 . 4.100 2.434 2.179 2.922 . 0 0 "[ . 1 . 2]" 1
603 1 44 PHE H 1 44 PHE QD 4.000 . 5.500 3.048 1.984 4.187 0.016 16 0 "[ . 1 . 2]" 1
604 1 44 PHE HA 1 45 GLU H 3.300 . 4.700 3.525 3.503 3.557 . 0 0 "[ . 1 . 2]" 1
605 1 44 PHE HA 1 47 ALA H 3.400 . 4.800 3.444 3.356 3.569 . 0 0 "[ . 1 . 2]" 1
606 1 44 PHE HA 1 47 ALA MB 2.300 . 3.000 2.556 2.267 2.872 . 0 0 "[ . 1 . 2]" 1
607 1 44 PHE HA 1 48 SER H 3.600 . 5.200 4.823 4.525 5.099 . 0 0 "[ . 1 . 2]" 1
608 1 44 PHE QB 1 45 GLU H 2.800 . 3.800 2.945 2.457 3.464 . 0 0 "[ . 1 . 2]" 1
609 1 44 PHE QB 1 47 ALA MB 3.200 . 4.000 3.982 3.782 4.062 0.062 4 0 "[ . 1 . 2]" 1
610 1 44 PHE QD 1 47 ALA MB 4.000 . 5.000 4.359 3.198 5.032 0.032 18 0 "[ . 1 . 2]" 1
611 1 45 GLU H 1 45 GLU HA 2.600 . 3.400 2.833 2.815 2.840 . 0 0 "[ . 1 . 2]" 1
612 1 45 GLU H 1 45 GLU HB2 2.600 . 3.400 2.325 2.070 3.526 0.126 13 0 "[ . 1 . 2]" 1
613 1 45 GLU H 1 45 GLU HB3 2.400 . 3.100 3.054 2.224 3.396 0.296 17 0 "[ . 1 . 2]" 1
614 1 45 GLU H 1 45 GLU HG3 2.800 . 3.800 3.839 2.601 4.367 0.567 15 2 "[ . - 1 + 2]" 1
615 1 45 GLU H 1 47 ALA H 4.000 . 5.000 3.894 3.756 4.054 . 0 0 "[ . 1 . 2]" 1
616 1 45 GLU HA 1 45 GLU HB2 2.400 . 3.100 2.745 2.329 2.928 . 0 0 "[ . 1 . 2]" 1
617 1 45 GLU HA 1 45 GLU HB3 2.200 . 5.500 2.829 2.324 3.007 . 0 0 "[ . 1 . 2]" 1
618 1 45 GLU HA 1 45 GLU HG2 2.500 . 3.300 2.796 2.046 3.941 0.641 12 1 "[ . 1 + . 2]" 1
619 1 45 GLU HA 1 46 GLU H 3.200 . 4.500 3.525 3.500 3.555 . 0 0 "[ . 1 . 2]" 1
620 1 45 GLU HA 1 48 SER H 2.600 . 5.500 3.797 3.556 4.013 . 0 0 "[ . 1 . 2]" 1
621 1 45 GLU HA 1 48 SER QB 3.200 . 4.500 3.695 3.092 4.278 . 0 0 "[ . 1 . 2]" 1
622 1 45 GLU HA 1 49 GLU H 3.100 . 5.500 4.794 4.477 4.929 . 0 0 "[ . 1 . 2]" 1
623 1 46 GLU H 1 46 GLU HA 2.600 . 3.400 2.836 2.828 2.841 . 0 0 "[ . 1 . 2]" 1
624 1 46 GLU H 1 46 GLU QB 2.100 . 2.700 2.208 2.055 2.358 . 0 0 "[ . 1 . 2]" 1
625 1 46 GLU H 1 46 GLU HG3 3.900 . 5.500 3.757 2.414 4.496 . 0 0 "[ . 1 . 2]" 1
626 1 46 GLU H 1 47 ALA H 2.400 . 3.100 2.534 2.504 2.563 . 0 0 "[ . 1 . 2]" 1
627 1 46 GLU H 1 47 ALA MB 3.300 . 4.700 4.143 4.067 4.241 . 0 0 "[ . 1 . 2]" 1
628 1 46 GLU HA 1 46 GLU HG3 2.600 . 3.400 2.605 2.027 3.307 . 0 0 "[ . 1 . 2]" 1
629 1 46 GLU HA 1 47 ALA H 2.700 . 3.600 3.456 3.418 3.500 . 0 0 "[ . 1 . 2]" 1
630 1 46 GLU HA 1 49 GLU H 3.200 . 4.500 3.395 3.306 3.447 . 0 0 "[ . 1 . 2]" 1
631 1 46 GLU QB 1 47 ALA H 2.500 . 3.300 2.923 2.796 3.009 . 0 0 "[ . 1 . 2]" 1
632 1 46 GLU HG2 1 47 ALA H 3.600 . 5.200 4.872 4.217 5.412 0.212 14 0 "[ . 1 . 2]" 1
633 1 47 ALA H 1 47 ALA HA 2.600 . 3.400 2.800 2.795 2.805 . 0 0 "[ . 1 . 2]" 1
634 1 47 ALA H 1 47 ALA MB 2.200 . 2.800 2.110 2.025 2.234 . 0 0 "[ . 1 . 2]" 1
635 1 47 ALA HA 1 47 ALA MB 2.100 . 2.700 2.102 2.084 2.128 . 0 0 "[ . 1 . 2]" 1
636 1 47 ALA HA 1 48 SER H 3.200 . 4.500 3.563 3.537 3.574 . 0 0 "[ . 1 . 2]" 1
637 1 47 ALA HA 1 49 GLU H 4.200 . 5.500 4.409 4.273 4.669 . 0 0 "[ . 1 . 2]" 1
638 1 47 ALA HA 1 50 LEU H 3.200 . 4.500 3.566 3.491 3.645 . 0 0 "[ . 1 . 2]" 1
639 1 47 ALA HA 1 50 LEU HB2 2.700 . 3.600 2.805 2.552 2.947 . 0 0 "[ . 1 . 2]" 1
640 1 47 ALA HA 1 50 LEU HB3 2.900 . 4.000 3.966 3.566 4.026 0.026 4 0 "[ . 1 . 2]" 1
641 1 47 ALA HA 1 50 LEU QD 2.700 . 3.600 3.339 3.171 3.560 . 0 0 "[ . 1 . 2]" 1
642 1 47 ALA MB 1 48 SER H 2.600 . 3.400 2.384 2.180 2.611 . 0 0 "[ . 1 . 2]" 1
643 1 47 ALA MB 1 49 GLU H 3.900 . 5.500 4.362 4.171 4.701 . 0 0 "[ . 1 . 2]" 1
644 1 47 ALA MB 1 51 VAL MG2 2.700 . 3.600 3.472 3.252 3.610 0.010 15 0 "[ . 1 . 2]" 1
645 1 48 SER H 1 48 SER HA 2.700 . 3.600 2.794 2.788 2.799 . 0 0 "[ . 1 . 2]" 1
646 1 48 SER H 1 49 GLU H 2.700 . 3.600 2.721 2.681 2.808 . 0 0 "[ . 1 . 2]" 1
647 1 48 SER H 1 51 VAL H 4.000 . 5.000 4.881 4.823 4.920 . 0 0 "[ . 1 . 2]" 1
648 1 48 SER HA 1 49 GLU H 3.200 . 4.500 3.525 3.499 3.567 . 0 0 "[ . 1 . 2]" 1
649 1 48 SER HA 1 51 VAL MG2 3.300 . 4.700 2.994 2.632 3.442 . 0 0 "[ . 1 . 2]" 1
650 1 48 SER QB 1 49 GLU H 3.200 . 4.500 2.719 2.464 3.228 . 0 0 "[ . 1 . 2]" 1
651 1 49 GLU H 1 49 GLU HA 2.300 . 3.000 2.834 2.812 2.844 . 0 0 "[ . 1 . 2]" 1
652 1 49 GLU H 1 49 GLU QB 2.600 . 3.300 2.110 2.050 2.273 . 0 0 "[ . 1 . 2]" 1
653 1 49 GLU H 1 49 GLU HG3 2.800 . 3.800 3.644 2.932 4.416 0.616 15 1 "[ . 1 + 2]" 1
654 1 49 GLU H 1 50 LEU H 2.600 . 3.400 2.580 2.536 2.623 . 0 0 "[ . 1 . 2]" 1
655 1 49 GLU H 1 50 LEU HA 3.700 . 5.400 5.204 5.177 5.231 . 0 0 "[ . 1 . 2]" 1
656 1 49 GLU H 1 52 ARG H 4.000 . 5.000 4.814 4.706 4.947 . 0 0 "[ . 1 . 2]" 1
657 1 49 GLU HA 1 50 LEU H 2.900 . 4.000 3.516 3.493 3.531 . 0 0 "[ . 1 . 2]" 1
658 1 49 GLU HA 1 53 LYS H 2.900 . 5.500 4.291 3.954 4.589 . 0 0 "[ . 1 . 2]" 1
659 1 49 GLU QB 1 50 LEU H 2.900 . 3.800 2.937 2.724 3.490 . 0 0 "[ . 1 . 2]" 1
660 1 49 GLU QB 1 53 LYS H 3.500 . 5.500 5.064 4.875 5.258 . 0 0 "[ . 1 . 2]" 1
661 1 50 LEU H 1 50 LEU HA 2.500 . 3.300 2.835 2.824 2.844 . 0 0 "[ . 1 . 2]" 1
662 1 50 LEU H 1 50 LEU HB2 2.500 . 3.300 2.064 2.049 2.097 . 0 0 "[ . 1 . 2]" 1
663 1 50 LEU H 1 50 LEU HB3 2.600 . 3.400 3.301 3.237 3.384 . 0 0 "[ . 1 . 2]" 1
664 1 50 LEU H 1 50 LEU QD 2.900 . 4.000 3.115 2.437 3.653 . 0 0 "[ . 1 . 2]" 1
665 1 50 LEU H 1 51 VAL H 2.800 . 3.800 2.601 2.562 2.710 . 0 0 "[ . 1 . 2]" 1
666 1 50 LEU H 1 51 VAL MG2 3.400 . 4.800 4.066 3.725 4.236 . 0 0 "[ . 1 . 2]" 1
667 1 50 LEU H 1 53 LYS H 3.500 . 5.000 4.833 4.628 5.001 0.001 18 0 "[ . 1 . 2]" 1
668 1 50 LEU HA 1 50 LEU HB3 2.700 . 3.600 2.812 2.759 2.851 . 0 0 "[ . 1 . 2]" 1
669 1 50 LEU HA 1 50 LEU QD 2.200 . 2.800 2.189 1.951 2.551 . 0 0 "[ . 1 . 2]" 1
670 1 50 LEU HA 1 51 VAL H 3.000 . 4.100 3.532 3.510 3.555 . 0 0 "[ . 1 . 2]" 1
671 1 50 LEU HA 1 53 LYS H 2.900 . 4.000 3.566 3.452 3.692 . 0 0 "[ . 1 . 2]" 1
672 1 50 LEU HA 1 54 LEU HB2 2.700 . 5.500 5.001 4.705 5.520 0.020 18 0 "[ . 1 . 2]" 1
673 1 50 LEU HB2 1 50 LEU QD 2.700 . 3.600 2.172 2.041 2.326 . 0 0 "[ . 1 . 2]" 1
674 1 50 LEU HB2 1 51 VAL H 2.900 . 4.000 3.027 2.900 3.158 . 0 0 "[ . 1 . 2]" 1
675 1 50 LEU HB3 1 50 LEU QD 2.300 . 3.000 2.167 2.034 2.321 . 0 0 "[ . 1 . 2]" 1
676 1 50 LEU HB3 1 51 VAL HA 3.100 . 4.300 3.883 3.812 3.935 . 0 0 "[ . 1 . 2]" 1
677 1 50 LEU HB3 1 51 VAL MG2 3.700 . 5.400 3.429 3.140 3.640 . 0 0 "[ . 1 . 2]" 1
678 1 50 LEU HB3 1 53 LYS H 3.200 . 5.500 5.393 5.248 5.508 0.008 2 0 "[ . 1 . 2]" 1
679 1 50 LEU HB3 1 54 LEU H 3.600 . 5.500 5.095 4.998 5.289 . 0 0 "[ . 1 . 2]" 1
680 1 50 LEU HB3 1 54 LEU QD 3.000 . 5.500 3.525 2.956 3.750 . 0 0 "[ . 1 . 2]" 1
681 1 50 LEU QD 1 51 VAL H 2.900 . 4.000 4.001 3.922 4.045 0.045 16 0 "[ . 1 . 2]" 1
682 1 50 LEU QD 1 54 LEU QD 3.000 . 4.100 3.023 2.213 3.789 . 0 0 "[ . 1 . 2]" 1
683 1 51 VAL H 1 51 VAL HA 2.300 . 3.000 2.810 2.803 2.820 . 0 0 "[ . 1 . 2]" 1
684 1 51 VAL H 1 51 VAL HB 2.200 . 2.800 2.511 2.397 2.645 . 0 0 "[ . 1 . 2]" 1
685 1 51 VAL H 1 51 VAL MG1 2.900 . 4.000 3.753 3.731 3.761 . 0 0 "[ . 1 . 2]" 1
686 1 51 VAL H 1 51 VAL MG2 2.400 . 3.100 2.169 1.811 2.446 . 0 0 "[ . 1 . 2]" 1
687 1 51 VAL H 1 52 ARG H 2.600 . 3.400 2.684 2.614 2.766 . 0 0 "[ . 1 . 2]" 1
688 1 51 VAL H 1 52 ARG HB2 2.300 . 5.500 4.778 4.477 6.339 0.839 3 1 "[ + . 1 . 2]" 1
689 1 51 VAL H 1 54 LEU H 4.000 . 5.000 4.554 4.488 4.676 . 0 0 "[ . 1 . 2]" 1
690 1 51 VAL HA 1 51 VAL HB 2.600 . 3.400 3.018 3.012 3.026 . 0 0 "[ . 1 . 2]" 1
691 1 51 VAL HA 1 51 VAL MG1 2.200 . 2.800 2.372 2.220 2.507 . 0 0 "[ . 1 . 2]" 1
692 1 51 VAL HA 1 51 VAL MG2 2.200 . 2.800 2.344 2.182 2.515 . 0 0 "[ . 1 . 2]" 1
693 1 51 VAL HA 1 52 ARG H 3.400 . 4.800 3.543 3.483 3.571 . 0 0 "[ . 1 . 2]" 1
694 1 51 VAL HA 1 54 LEU H 3.500 . 5.000 3.240 3.081 3.382 . 0 0 "[ . 1 . 2]" 1
695 1 51 VAL HA 1 54 LEU HB2 3.200 . 4.500 2.141 1.838 2.311 0.062 18 0 "[ . 1 . 2]" 1
696 1 51 VAL HA 1 54 LEU HB3 3.100 . 4.300 3.315 3.022 3.790 . 0 0 "[ . 1 . 2]" 1
697 1 51 VAL HA 1 54 LEU QD 3.600 . 4.100 3.424 1.849 3.694 0.151 18 0 "[ . 1 . 2]" 1
698 1 51 VAL HA 1 54 LEU HG 3.200 . 4.000 3.673 3.467 4.156 0.156 18 0 "[ . 1 . 2]" 1
699 1 51 VAL HB 1 51 VAL MG2 2.100 . 2.700 2.107 2.084 2.129 . 0 0 "[ . 1 . 2]" 1
700 1 51 VAL HB 1 52 ARG H 2.600 . 5.500 2.619 2.418 2.946 . 0 0 "[ . 1 . 2]" 1
701 1 51 VAL HB 1 54 LEU H 3.600 . 5.200 5.243 5.196 5.274 0.074 1 0 "[ . 1 . 2]" 1
702 1 51 VAL MG1 1 52 ARG H 3.300 . 4.700 3.465 3.268 3.780 . 0 0 "[ . 1 . 2]" 1
703 1 51 VAL MG1 1 54 LEU H 4.100 . 5.500 4.333 4.155 4.446 . 0 0 "[ . 1 . 2]" 1
704 1 51 VAL MG1 1 54 LEU HB2 2.400 . 5.500 3.535 2.745 3.735 . 0 0 "[ . 1 . 2]" 1
705 1 51 VAL MG1 1 55 GLN HG2 2.900 . 4.000 3.650 2.831 4.579 0.579 13 1 "[ . 1 + . 2]" 1
706 1 51 VAL MG1 1 55 GLN HG3 4.000 . 5.000 3.365 2.609 4.542 . 0 0 "[ . 1 . 2]" 1
707 1 51 VAL MG2 1 52 ARG H 3.200 . 4.500 3.845 3.694 3.929 . 0 0 "[ . 1 . 2]" 1
708 1 51 VAL MG2 1 54 LEU H 4.100 . 5.500 5.008 4.920 5.098 . 0 0 "[ . 1 . 2]" 1
709 1 51 VAL MG2 1 54 LEU HB2 4.000 . 5.000 4.070 3.879 4.302 . 0 0 "[ . 1 . 2]" 1
710 1 51 VAL MG2 1 54 LEU QD 3.200 . 4.000 4.268 2.942 4.528 0.528 13 1 "[ . 1 + . 2]" 1
711 1 51 VAL MG2 1 54 LEU HG 4.000 . 5.000 4.688 4.429 5.459 0.459 18 0 "[ . 1 . 2]" 1
712 1 52 ARG H 1 52 ARG HA 2.500 . 3.300 2.815 2.808 2.827 . 0 0 "[ . 1 . 2]" 1
713 1 52 ARG H 1 52 ARG HB2 2.200 . 2.800 2.315 2.076 3.605 0.805 3 1 "[ + . 1 . 2]" 1
714 1 52 ARG H 1 52 ARG HG3 3.600 . 5.200 3.790 2.412 4.438 . 0 0 "[ . 1 . 2]" 1
715 1 52 ARG H 1 53 LYS H 2.700 . 3.600 2.658 2.599 2.698 . 0 0 "[ . 1 . 2]" 1
716 1 52 ARG HA 1 52 ARG HB2 2.200 . 2.800 2.747 2.420 3.019 0.219 17 0 "[ . 1 . 2]" 1
717 1 52 ARG HA 1 52 ARG HG3 2.800 . 3.800 2.889 2.049 3.732 . 0 0 "[ . 1 . 2]" 1
718 1 52 ARG HA 1 55 GLN HA 4.000 . 5.000 5.047 5.026 5.077 0.077 18 0 "[ . 1 . 2]" 1
719 1 52 ARG HA 1 55 GLN HB2 3.100 . 4.300 2.778 2.312 3.330 . 0 0 "[ . 1 . 2]" 1
720 1 52 ARG HA 1 55 GLN HG2 2.900 . 4.000 3.824 2.574 4.612 0.612 14 3 "[ - . 1 *+. 2]" 1
721 1 53 LYS H 1 53 LYS HA 2.700 . 3.600 2.849 2.842 2.856 . 0 0 "[ . 1 . 2]" 1
722 1 53 LYS H 1 53 LYS HB2 2.100 . 2.700 2.231 2.080 2.560 . 0 0 "[ . 1 . 2]" 1
723 1 53 LYS HB3 1 54 LEU H 2.600 . 3.400 2.948 2.709 3.358 . 0 0 "[ . 1 . 2]" 1
724 1 53 LYS HB3 1 54 LEU HB2 2.100 . 5.500 4.560 4.321 5.013 . 0 0 "[ . 1 . 2]" 1
725 1 54 LEU H 1 54 LEU HA 2.500 . 3.300 2.843 2.834 2.852 . 0 0 "[ . 1 . 2]" 1
726 1 54 LEU H 1 54 LEU HB2 2.200 . 2.800 2.064 2.051 2.093 . 0 0 "[ . 1 . 2]" 1
727 1 54 LEU H 1 54 LEU HB3 2.400 . 5.500 3.308 3.235 3.411 . 0 0 "[ . 1 . 2]" 1
728 1 54 LEU H 1 54 LEU QD 3.100 . 4.100 2.726 2.481 3.372 . 0 0 "[ . 1 . 2]" 1
729 1 54 LEU H 1 54 LEU HG 3.100 . 4.300 4.160 3.249 4.307 0.007 1 0 "[ . 1 . 2]" 1
730 1 54 LEU H 1 55 GLN HA 2.600 . 5.500 5.075 5.037 5.144 . 0 0 "[ . 1 . 2]" 1
731 1 54 LEU HA 1 54 LEU HB2 2.400 . 3.100 2.893 2.855 2.950 . 0 0 "[ . 1 . 2]" 1
732 1 54 LEU HA 1 54 LEU HB3 2.500 . 3.300 2.800 2.715 2.847 . 0 0 "[ . 1 . 2]" 1
733 1 54 LEU HA 1 54 LEU QD 2.600 . 3.400 1.987 1.849 2.944 . 0 0 "[ . 1 . 2]" 1
734 1 54 LEU HB2 1 54 LEU QD 2.800 . 2.800 2.307 1.919 2.418 . 0 0 "[ . 1 . 2]" 1
735 1 54 LEU HB2 1 55 GLN H 2.800 . 3.800 3.362 3.026 3.643 . 0 0 "[ . 1 . 2]" 1
736 1 54 LEU HB3 1 54 LEU QD 2.600 . 3.400 2.273 2.029 2.348 . 0 0 "[ . 1 . 2]" 1
737 1 54 LEU HB3 1 55 GLN H 2.900 . 4.000 3.445 3.064 3.638 . 0 0 "[ . 1 . 2]" 1
738 1 54 LEU HB3 1 55 GLN HA 2.300 . 5.500 4.020 3.912 4.105 . 0 0 "[ . 1 . 2]" 1
739 1 55 GLN H 1 55 GLN HA 2.600 . 3.400 2.826 2.810 2.833 . 0 0 "[ . 1 . 2]" 1
740 1 55 GLN H 1 55 GLN HB2 2.400 . 3.100 2.215 2.084 2.492 . 0 0 "[ . 1 . 2]" 1
741 1 55 GLN H 1 55 GLN HB3 2.600 . 5.500 3.490 3.372 3.594 . 0 0 "[ . 1 . 2]" 1
742 1 55 GLN H 1 55 GLN HG2 2.600 . 3.400 3.548 2.681 4.241 0.841 14 7 "[** *.- 1 *+. * 2]" 1
743 1 55 GLN H 1 56 GLU H 2.900 . 5.500 4.473 4.316 4.588 . 0 0 "[ . 1 . 2]" 1
744 1 55 GLN HA 1 55 GLN HG2 2.300 . 3.000 2.540 2.242 2.957 . 0 0 "[ . 1 . 2]" 1
745 1 55 GLN HA 1 56 GLU H 2.200 . 2.800 2.707 2.488 2.854 0.054 15 0 "[ . 1 . 2]" 1
746 1 55 GLN HB2 1 56 GLU H 2.600 . 3.400 3.335 3.156 3.441 0.041 14 0 "[ . 1 . 2]" 1
747 1 55 GLN HB2 1 56 GLU HA 2.300 . 5.500 5.313 5.029 5.473 . 0 0 "[ . 1 . 2]" 1
748 1 55 GLN HB3 1 55 GLN HG3 2.100 . 2.700 2.792 2.376 3.010 0.310 1 0 "[ . 1 . 2]" 1
749 1 55 GLN HB3 1 57 GLU H 3.500 . 5.000 4.585 3.504 5.147 0.147 16 0 "[ . 1 . 2]" 1
750 1 55 GLN QE 1 55 GLN HG2 2.700 . 3.600 2.818 2.101 3.349 . 0 0 "[ . 1 . 2]" 1
751 1 55 GLN HG3 1 56 GLU H 2.900 . 4.000 4.197 3.546 4.748 0.748 8 2 "[ . + 1 . -2]" 1
752 1 56 GLU H 1 56 GLU HA 2.500 . 3.300 2.871 2.845 2.885 . 0 0 "[ . 1 . 2]" 1
753 1 56 GLU H 1 56 GLU HB2 2.600 . 3.400 2.361 2.082 3.509 0.109 15 0 "[ . 1 . 2]" 1
754 1 56 GLU H 1 56 GLU HB3 2.200 . 2.800 3.029 2.473 3.410 0.610 18 3 "[* . 1 . + -]" 1
755 1 56 GLU HA 1 56 GLU HB2 3.000 . 4.100 2.738 2.456 2.945 . 0 0 "[ . 1 . 2]" 1
756 1 56 GLU HA 1 57 GLU H 2.200 . 2.800 2.456 2.170 2.991 0.191 15 0 "[ . 1 . 2]" 1
757 1 56 GLU HA 1 57 GLU QB 2.700 . 5.500 4.471 4.111 4.828 . 0 0 "[ . 1 . 2]" 1
758 1 57 GLU H 1 57 GLU QB 2.100 . 2.700 2.299 2.069 2.633 . 0 0 "[ . 1 . 2]" 1
759 1 57 GLU H 1 57 GLU HG2 3.800 . 5.500 3.467 2.084 4.655 . 0 0 "[ . 1 . 2]" 1
760 1 57 GLU H 1 57 GLU HG3 3.200 . 4.500 3.700 2.193 4.471 . 0 0 "[ . 1 . 2]" 1
761 1 57 GLU HA 1 57 GLU QB 2.100 . 2.700 2.391 2.176 2.539 . 0 0 "[ . 1 . 2]" 1
762 1 57 GLU HA 1 58 LYS H 2.000 . 2.500 2.317 2.135 2.510 0.010 13 0 "[ . 1 . 2]" 1
763 1 57 GLU QB 1 58 LYS H 2.600 . 3.400 2.888 2.302 3.415 0.015 1 0 "[ . 1 . 2]" 1
764 1 58 LYS H 1 58 LYS HA 2.200 . 2.800 2.865 2.862 2.873 0.073 1 0 "[ . 1 . 2]" 1
765 1 58 LYS H 1 58 LYS HB2 2.400 . 3.100 2.458 2.099 3.601 0.501 3 1 "[ + . 1 . 2]" 1
766 1 58 LYS H 1 58 LYS HB3 2.200 . 2.800 3.124 2.403 3.614 0.814 10 9 "[** *.-** + **. 2]" 1
767 1 58 LYS H 1 58 LYS HG3 4.100 . 5.500 3.565 2.116 4.532 . 0 0 "[ . 1 . 2]" 1
768 1 58 LYS HA 1 58 LYS HB3 2.200 . 2.800 2.744 2.356 3.021 0.221 20 0 "[ . 1 . 2]" 1
769 1 58 LYS HA 1 58 LYS HG2 2.700 . 3.600 2.918 2.113 3.951 0.351 3 0 "[ . 1 . 2]" 1
770 1 58 LYS HA 1 59 TYR H 2.300 . 3.000 2.490 2.137 3.047 0.047 10 0 "[ . 1 . 2]" 1
771 1 58 LYS HB2 1 58 LYS HG3 2.100 . 2.700 2.508 2.211 3.004 0.304 6 0 "[ . 1 . 2]" 1
772 1 58 LYS HB3 1 58 LYS HE3 3.500 . 5.000 4.130 2.204 5.069 0.069 3 0 "[ . 1 . 2]" 1
773 1 58 LYS HB3 1 59 TYR H 3.000 . 4.100 3.253 1.773 4.475 0.375 10 0 "[ . 1 . 2]" 1
774 1 59 TYR H 1 59 TYR HA 2.300 . 3.000 2.909 2.904 2.914 . 0 0 "[ . 1 . 2]" 1
775 1 59 TYR H 1 59 TYR HB2 2.900 . 4.000 2.436 2.170 3.611 . 0 0 "[ . 1 . 2]" 1
776 1 59 TYR H 1 59 TYR HB3 3.000 . 4.100 3.279 2.385 3.647 . 0 0 "[ . 1 . 2]" 1
777 1 59 TYR HA 1 59 TYR HB2 2.700 . 3.600 2.851 2.289 3.027 . 0 0 "[ . 1 . 2]" 1
778 1 59 TYR HA 1 59 TYR HB3 2.700 . 3.600 2.707 2.263 2.973 . 0 0 "[ . 1 . 2]" 1
779 1 59 TYR HA 1 60 GLY H 2.700 . 3.600 2.864 2.138 3.573 . 0 0 "[ . 1 . 2]" 1
780 1 60 GLY H 1 60 GLY HA2 2.700 . 3.600 2.723 2.297 2.955 . 0 0 "[ . 1 . 2]" 1
781 1 60 GLY H 1 60 GLY HA3 3.000 . 4.100 2.739 2.294 2.942 . 0 0 "[ . 1 . 2]" 1
782 1 60 GLY H 1 61 SER HB2 3.000 . 5.500 4.450 3.506 6.119 0.619 3 1 "[ + . 1 . 2]" 1
783 1 61 SER H 1 61 SER HA 2.500 . 3.300 2.906 2.903 2.908 . 0 0 "[ . 1 . 2]" 1
784 1 61 SER H 1 61 SER HB2 2.600 . 3.400 2.625 2.179 3.649 0.249 3 0 "[ . 1 . 2]" 1
785 1 64 PHE H 1 64 PHE HA 2.600 . 3.400 2.853 2.795 2.891 . 0 0 "[ . 1 . 2]" 1
786 1 65 THR H 1 65 THR MG 4.100 . 5.500 3.375 1.987 3.819 0.013 16 0 "[ . 1 . 2]" 1
787 1 65 THR HA 1 65 THR HB 2.700 . 3.600 2.836 2.367 3.025 . 0 0 "[ . 1 . 2]" 1
788 1 65 THR HA 1 65 THR MG 2.500 . 3.300 2.384 2.018 3.229 . 0 0 "[ . 1 . 2]" 1
789 1 65 THR HA 1 66 ASN H 2.700 . 3.600 2.417 2.137 3.570 . 0 0 "[ . 1 . 2]" 1
790 1 65 THR HB 1 65 THR MG 2.300 . 3.000 2.094 2.070 2.116 . 0 0 "[ . 1 . 2]" 1
791 1 65 THR MG 1 66 ASN HA 2.300 . 5.500 4.789 4.109 5.513 0.013 18 0 "[ . 1 . 2]" 1
792 1 65 THR MG 1 71 GLU HB2 4.000 . 5.000 4.375 2.991 5.828 0.828 14 2 "[ . 1 +.- 2]" 1
793 1 65 THR MG 1 71 GLU QG 4.000 . 5.000 4.173 2.384 5.007 0.007 20 0 "[ . 1 . 2]" 1
794 1 66 ASN HA 1 69 LYS HB3 2.700 . 5.500 5.090 4.250 5.740 0.240 7 0 "[ . 1 . 2]" 1
795 1 66 ASN QB 1 68 SER HA 2.100 . 5.500 5.052 4.941 5.335 . 0 0 "[ . 1 . 2]" 1
796 1 66 ASN QB 1 68 SER HB2 3.800 . 5.500 4.592 3.460 5.451 . 0 0 "[ . 1 . 2]" 1
797 1 68 SER H 1 68 SER HA 2.400 . 3.100 2.888 2.878 2.894 . 0 0 "[ . 1 . 2]" 1
798 1 68 SER H 1 68 SER HB3 3.200 . 4.500 3.081 2.494 3.625 . 0 0 "[ . 1 . 2]" 1
799 1 69 LYS H 1 69 LYS HA 2.600 . 3.400 2.906 2.904 2.910 . 0 0 "[ . 1 . 2]" 1
800 1 69 LYS H 1 69 LYS HB2 4.300 . 5.500 2.297 2.151 2.566 . 0 0 "[ . 1 . 2]" 1
801 1 69 LYS H 1 69 LYS HB3 4.000 . 5.500 3.113 2.638 3.576 . 0 0 "[ . 1 . 2]" 1
802 1 69 LYS H 1 69 LYS HG3 4.300 . 5.500 4.025 3.119 4.471 . 0 0 "[ . 1 . 2]" 1
803 1 69 LYS HA 1 70 ARG H 2.900 . 4.000 2.407 2.139 3.503 . 0 0 "[ . 1 . 2]" 1
804 1 69 LYS HB2 1 70 ARG H 3.400 . 4.800 4.184 3.005 4.669 . 0 0 "[ . 1 . 2]" 1
805 1 70 ARG H 1 70 ARG HA 2.800 . 3.800 2.888 2.884 2.891 . 0 0 "[ . 1 . 2]" 1
806 1 70 ARG HA 1 70 ARG HG2 4.100 . 5.500 3.009 2.096 3.649 . 0 0 "[ . 1 . 2]" 1
807 1 70 ARG HA 1 71 GLU H 2.700 . 3.600 2.649 2.169 3.571 . 0 0 "[ . 1 . 2]" 1
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