NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385549 |
1l3o   |
5279 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l3o
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 744
_Distance_constraint_stats_list.Viol_count 1952
_Distance_constraint_stats_list.Viol_total 11040.563
_Distance_constraint_stats_list.Viol_max 0.991
_Distance_constraint_stats_list.Viol_rms 0.0692
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.1616
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 2 ASP 9.078 0.829 35 5 "[ * . *1 -. 2* . 3 +]"
1 3 VAL 2.717 0.603 9 1 "[ . +1 . 2 . 3 .]"
1 4 VAL 1.335 0.108 16 0 "[ . 1 . 2 . 3 .]"
1 5 THR 0.013 0.013 25 0 "[ . 1 . 2 . 3 .]"
1 6 TYR 7.859 0.976 13 3 "[ * . 1 + . 2 . 3 -.]"
1 7 GLU 12.591 0.810 6 4 "[ - .+ 1 . 2* . 3 * .]"
1 8 ASN 11.167 0.480 23 0 "[ . 1 . 2 . 3 .]"
1 9 ALA 1.020 0.169 35 0 "[ . 1 . 2 . 3 .]"
1 10 ALA 1.702 0.141 28 0 "[ . 1 . 2 . 3 .]"
1 11 GLY 10.055 0.991 29 7 "[ - . 1 * .* **2 * +3 .]"
1 12 ASN 10.650 0.810 6 4 "[ - .+ 1 . 2* . 3 * .]"
1 13 VAL 18.510 0.748 32 23 "[ ******** **.****2** *.* * 3 +-**]"
1 14 THR 20.840 0.748 32 23 "[ ******** **.****2** *.* * 3 +-**]"
1 15 PHE 16.194 0.976 13 3 "[ * . 1 + . 2 . 3 -.]"
1 16 ASP 8.153 0.442 16 0 "[ . 1 . 2 . 3 .]"
1 17 HIS 2.376 0.122 14 0 "[ . 1 . 2 . 3 .]"
1 18 LYS 16.934 0.829 35 4 "[ * . 1 -. 2* . 3 +]"
1 19 ALA 3.156 0.117 14 0 "[ . 1 . 2 . 3 .]"
1 20 HIS 10.440 0.908 14 13 "[ ** ** 1 *+. - * * ***3 * .]"
1 21 ALA 1.919 0.199 31 0 "[ . 1 . 2 . 3 .]"
1 22 GLU 4.692 0.285 9 0 "[ . 1 . 2 . 3 .]"
1 23 LYS 17.908 0.908 14 14 "[ ** ** 1 *+. - * * ***3 * *.]"
1 24 LEU 0.129 0.090 23 0 "[ . 1 . 2 . 3 .]"
1 25 GLY 3.301 0.195 3 0 "[ . 1 . 2 . 3 .]"
1 26 CYS 3.699 0.195 3 0 "[ . 1 . 2 . 3 .]"
1 27 ASP 0.663 0.077 5 0 "[ . 1 . 2 . 3 .]"
1 28 ALA 2.253 0.116 12 0 "[ . 1 . 2 . 3 .]"
1 29 CYS 2.027 0.082 3 0 "[ . 1 . 2 . 3 .]"
1 31 GLU 9.768 0.510 16 2 "[ - . 1 .+ 2 . 3 .]"
1 32 GLY 8.019 0.510 16 2 "[ - . 1 .+ 2 . 3 .]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 34 PRO 3.837 0.127 15 0 "[ . 1 . 2 . 3 .]"
1 35 ALA 0.426 0.130 30 0 "[ . 1 . 2 . 3 .]"
1 36 LYS 7.571 0.508 30 1 "[ . 1 . 2 . + .]"
1 37 ILE 1.836 0.207 10 0 "[ . 1 . 2 . 3 .]"
1 38 ALA 1.061 0.207 10 0 "[ . 1 . 2 . 3 .]"
1 39 ILE 2.493 0.101 2 0 "[ . 1 . 2 . 3 .]"
1 40 ASP 12.370 0.439 33 0 "[ . 1 . 2 . 3 .]"
1 41 LYS 9.120 0.439 33 0 "[ . 1 . 2 . 3 .]"
1 42 LYS 3.352 0.416 11 0 "[ . 1 . 2 . 3 .]"
1 43 SER 9.959 0.824 11 9 "[ ** ** 1+ .*- * . 3 *.]"
1 44 ALA 0.623 0.130 14 0 "[ . 1 . 2 . 3 .]"
1 45 HIS 2.063 0.132 33 0 "[ . 1 . 2 . 3 .]"
1 46 LYS 30.396 0.968 23 29 "[************ .* -****+** ********.]"
1 47 ASP 20.884 0.968 23 18 "[*** .****1 * . -*** +*. * ** *.]"
1 48 ALA 9.036 0.824 11 9 "[ ** ** 1+ .*- * . 3 *.]"
1 49 CYS 8.291 0.336 29 0 "[ . 1 . 2 . 3 .]"
1 50 LYS 7.650 0.381 20 0 "[ . 1 . 2 . 3 .]"
1 51 THR 8.314 0.336 29 0 "[ . 1 . 2 . 3 .]"
1 52 CYS 0.210 0.038 22 0 "[ . 1 . 2 . 3 .]"
1 54 LYS 43.936 0.754 25 35 [************************+****-*****]
1 55 SER 2.888 0.263 15 0 "[ . 1 . 2 . 3 .]"
1 56 ASN 12.373 0.467 20 0 "[ . 1 . 2 . 3 .]"
1 57 ASN 12.055 0.467 20 0 "[ . 1 . 2 . 3 .]"
1 58 GLY 0.240 0.155 33 0 "[ . 1 . 2 . 3 .]"
1 59 PRO 11.312 0.702 21 5 "[- * . 1 . 2+ . 3 * *]"
1 60 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 61 LYS 10.236 0.597 4 1 "[ +. 1 . 2 . 3 .]"
1 62 CYS 17.329 0.459 12 0 "[ . 1 . 2 . 3 .]"
1 63 GLY 9.882 0.308 27 0 "[ . 1 . 2 . 3 .]"
1 64 GLY 9.839 0.702 21 5 "[- * . 1 . 2+ . 3 * *]"
1 65 CYS 1.919 0.465 24 0 "[ . 1 . 2 . 3 .]"
1 67 ILE 11.291 0.991 29 7 "[ - . 1 * .* **2 * +3 .]"
1 68 LYS 10.726 0.493 31 0 "[ . 1 . 2 . 3 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 4 VAL QG . . 6.500 4.061 2.440 5.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 2 ASP H 1 3 VAL H . . 5.500 3.731 2.407 4.710 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 2 ASP HA 1 3 VAL H . . 4.400 2.927 2.068 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
4 1 2 ASP HA 1 3 VAL MG2 . . 6.500 3.923 3.287 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 2 ASP HA 1 17 HIS H . . 4.700 4.349 2.852 4.822 0.122 14 0 "[ . 1 . 2 . 3 .]" 1
6 1 2 ASP HA 1 17 HIS HB2 . . 4.900 3.659 2.161 4.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 2 ASP HA 1 17 HIS HB3 . . 4.000 2.907 2.099 3.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 2 ASP HA 1 18 LYS H . . 3.400 2.917 2.038 3.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 2 ASP HA 1 18 LYS HA . . 4.400 4.311 3.847 4.483 0.083 21 0 "[ . 1 . 2 . 3 .]" 1
10 1 2 ASP HA 1 18 LYS HB2 . . 3.800 2.440 2.124 3.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 2 ASP HA 1 18 LYS HB3 . . 4.200 3.692 2.475 4.253 0.053 20 0 "[ . 1 . 2 . 3 .]" 1
12 1 2 ASP HA 1 18 LYS QD . . 6.500 4.004 2.173 5.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 2 ASP HA 1 18 LYS HG3 . . 5.400 4.512 2.421 5.948 0.548 21 2 "[ . 1 -. 2+ . 3 .]" 1
14 1 2 ASP HA 1 19 ALA H . . 5.500 5.133 4.028 5.617 0.117 14 0 "[ . 1 . 2 . 3 .]" 1
15 1 2 ASP HB2 1 3 VAL H . . 5.500 3.371 2.070 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 2 ASP HB2 1 18 LYS HB2 . . 4.300 4.092 2.193 5.129 0.829 35 2 "[ - . 1 . 2 . 3 +]" 1
17 1 2 ASP HB3 1 3 VAL H . . 4.000 3.336 2.116 4.603 0.603 9 1 "[ . +1 . 2 . 3 .]" 1
18 1 2 ASP HB3 1 3 VAL MG2 . . 6.400 4.082 2.933 5.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 3 VAL H 1 3 VAL HB . . 3.400 2.876 2.383 3.512 0.112 12 0 "[ . 1 . 2 . 3 .]" 1
20 1 3 VAL H 1 4 VAL H . . 4.500 4.042 3.181 4.565 0.065 23 0 "[ . 1 . 2 . 3 .]" 1
21 1 3 VAL H 1 4 VAL QG . . 6.500 4.154 3.255 4.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
22 1 3 VAL H 1 16 ASP HA . . 5.500 4.634 2.661 5.522 0.022 18 0 "[ . 1 . 2 . 3 .]" 1
23 1 3 VAL H 1 17 HIS H . . 5.500 4.034 2.201 4.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 3 VAL H 1 18 LYS H . . 5.100 3.786 2.034 4.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 3 VAL HA 1 4 VAL H . . 2.700 2.197 2.104 2.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
26 1 3 VAL HA 1 4 VAL HB . . 4.800 4.757 4.504 4.872 0.072 22 0 "[ . 1 . 2 . 3 .]" 1
27 1 3 VAL HA 1 4 VAL QG . . 6.500 3.707 3.458 4.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 3 VAL HA 1 16 ASP HA . . 3.000 2.442 2.076 3.022 0.022 23 0 "[ . 1 . 2 . 3 .]" 1
29 1 3 VAL HA 1 16 ASP HB3 . . 5.500 4.511 3.470 5.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 3 VAL HA 1 17 HIS H . . 3.200 2.568 2.080 3.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
31 1 3 VAL HA 1 17 HIS HB2 . . 5.500 3.731 2.766 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
32 1 3 VAL HB 1 4 VAL H . . 5.300 4.424 4.044 4.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 3 VAL HB 1 16 ASP HA . . 5.500 4.900 4.526 5.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 3 VAL MG1 1 4 VAL H . . 5.700 3.197 2.395 3.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
35 1 3 VAL MG1 1 14 THR MG . . 5.800 2.335 1.944 3.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 3 VAL MG1 1 15 PHE H . . 6.200 4.266 3.526 4.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 3 VAL MG1 1 16 ASP HA . . 6.500 2.918 2.374 3.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 3 VAL MG1 1 17 HIS H . . 6.500 4.246 3.427 5.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 3 VAL MG2 1 4 VAL H . . 6.500 4.159 3.887 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 3 VAL MG2 1 14 THR MG . . 7.200 3.762 3.068 4.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 3 VAL MG2 1 16 ASP HA . . 5.500 2.652 2.279 3.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 3 VAL MG2 1 16 ASP HB3 . . 6.500 3.392 2.433 4.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 3 VAL MG2 1 17 HIS H . . 6.500 3.716 2.954 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 3 VAL MG2 1 18 LYS H . . 6.500 3.441 2.430 4.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 4 VAL H 1 4 VAL HB . . 3.500 2.631 2.325 2.879 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 4 VAL H 1 5 THR H . . 5.500 4.025 2.263 4.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 4 VAL H 1 15 PHE HB2 . . 5.500 3.371 2.868 4.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
48 1 4 VAL H 1 15 PHE HB3 . . 5.500 3.749 2.921 4.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 4 VAL H 1 16 ASP HA . . 3.800 3.556 2.804 3.864 0.064 19 0 "[ . 1 . 2 . 3 .]" 1
50 1 4 VAL H 1 17 HIS H . . 3.800 3.035 2.618 3.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 4 VAL H 1 17 HIS HB2 . . 5.500 3.588 2.964 4.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 4 VAL H 1 17 HIS HB3 . . 5.500 5.126 4.199 5.608 0.108 16 0 "[ . 1 . 2 . 3 .]" 1
53 1 4 VAL H 1 18 LYS H . . 5.500 5.165 4.728 5.510 0.010 18 0 "[ . 1 . 2 . 3 .]" 1
54 1 4 VAL HB 1 5 THR H . . 5.300 3.796 2.300 4.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
55 1 4 VAL HB 1 6 TYR CZ . . 7.500 5.484 4.066 7.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 4 VAL HB 1 15 PHE CG . . 7.500 3.899 3.426 4.220 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 4 VAL HB 1 15 PHE H . . 4.400 3.909 3.550 4.415 0.015 15 0 "[ . 1 . 2 . 3 .]" 1
58 1 4 VAL HB 1 15 PHE HB2 . . 3.600 2.275 2.038 3.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 4 VAL HB 1 15 PHE HB3 . . 4.400 2.989 2.130 3.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 4 VAL QG 1 5 THR H . . 5.500 2.766 1.983 3.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 4 VAL QG 1 5 THR HA . . 6.500 3.985 3.575 4.394 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 4 VAL QG 1 5 THR HB . . 6.500 4.497 4.160 4.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 4 VAL QG 1 6 TYR CG . . 8.500 4.222 3.675 4.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
64 1 4 VAL QG 1 6 TYR CZ . . 8.500 3.889 2.923 4.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 4 VAL QG 1 6 TYR H . . 6.500 4.424 3.895 5.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 4 VAL QG 1 6 TYR QB . . 5.800 4.734 4.510 5.148 . 0 0 "[ . 1 . 2 . 3 .]" 1
67 1 4 VAL QG 1 15 PHE CG . . 8.500 4.135 3.717 4.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 4 VAL QG 1 15 PHE CZ . . 8.500 5.086 4.595 5.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 4 VAL QG 1 15 PHE H . . 6.500 4.171 3.737 4.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 4 VAL QG 1 15 PHE HB2 . . 6.500 3.178 2.604 3.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 4 VAL QG 1 17 HIS H . . 6.500 3.603 3.055 4.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 4 VAL QG 1 17 HIS HB2 . . 6.500 2.710 2.185 3.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 4 VAL QG 1 17 HIS HB3 . . 6.500 3.960 3.269 4.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 4 VAL QG 1 18 LYS H . . 6.500 5.082 4.572 5.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 5 THR H 1 5 THR HB . . 3.800 2.618 2.199 3.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 5 THR H 1 6 TYR H . . 5.500 4.313 3.648 4.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 5 THR HA 1 6 TYR CG . . 7.500 5.127 4.533 5.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 5 THR HA 1 6 TYR H . . 3.100 2.114 2.064 2.206 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 5 THR HA 1 6 TYR QB . . 5.200 4.162 3.903 4.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 5 THR HA 1 13 VAL H . . 5.500 4.327 3.821 4.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 5 THR HA 1 14 THR H . . 5.100 3.277 2.436 4.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 5 THR HA 1 14 THR HA . . 3.900 2.391 2.068 2.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 5 THR HA 1 14 THR MG . . 6.500 4.334 3.738 4.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 5 THR HA 1 15 PHE H . . 4.200 2.768 1.992 3.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 5 THR HB 1 6 TYR H . . 5.000 4.444 4.284 4.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 5 THR HB 1 7 GLU HG2 . . 5.500 4.921 4.082 5.513 0.013 25 0 "[ . 1 . 2 . 3 .]" 1
87 1 5 THR MG 1 6 TYR H . . 5.700 2.916 2.559 3.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
88 1 5 THR MG 1 7 GLU H . . 6.500 3.491 2.546 3.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 5 THR MG 1 7 GLU HG2 . . 6.500 2.398 2.077 2.928 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 5 THR MG 1 7 GLU HG3 . . 6.400 2.363 2.030 3.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 5 THR MG 1 12 ASN HA . . 6.100 4.305 3.703 5.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 5 THR MG 1 12 ASN QB . . 5.200 2.328 1.900 3.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 5 THR MG 1 12 ASN HD21 . . 6.100 2.692 1.938 4.126 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 5 THR MG 1 12 ASN HD22 . . 6.400 3.532 2.918 4.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 5 THR MG 1 13 VAL H . . 6.500 3.621 2.969 4.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 5 THR MG 1 14 THR HA . . 5.800 3.959 3.142 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 6 TYR CG 1 7 GLU H . . 7.500 4.607 4.282 4.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 6 TYR CG 1 7 GLU HG3 . . 6.400 6.284 6.003 6.599 0.199 33 0 "[ . 1 . 2 . 3 .]" 1
99 1 6 TYR CG 1 12 ASN HA . . 7.500 6.512 5.974 6.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 6 TYR CG 1 13 VAL H . . 7.500 5.358 4.865 5.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 6 TYR CG 1 13 VAL MG1 . . 8.500 3.537 3.058 4.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
102 1 6 TYR CG 1 13 VAL MG2 . . 8.500 5.587 3.601 5.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
103 1 6 TYR CG 1 15 PHE H . . 7.400 5.641 4.916 6.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 6 TYR CG 1 15 PHE HB2 . . 7.500 5.294 4.069 6.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 6 TYR CG 1 15 PHE HB3 . . 7.500 6.507 5.201 7.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 6 TYR CG 1 39 ILE HB . . 7.500 5.474 4.982 6.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 6 TYR CZ 1 6 TYR H . . 6.500 5.947 5.484 6.360 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 6 TYR CZ 1 13 VAL MG1 . . 8.500 5.295 4.432 6.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 6 TYR CZ 1 13 VAL MG2 . . 8.500 6.979 5.558 7.219 . 0 0 "[ . 1 . 2 . 3 .]" 1
110 1 6 TYR CZ 1 15 PHE CZ . . 9.500 3.557 3.111 5.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 6 TYR CZ 1 15 PHE HB3 . . 6.200 6.062 4.842 7.176 0.976 13 3 "[ * . 1 + . 2 . 3 -.]" 1
112 1 6 TYR CZ 1 15 PHE HZ . . 6.600 3.457 2.729 5.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 6 TYR CZ 1 39 ILE H . . 7.500 5.314 4.486 6.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
114 1 6 TYR CZ 1 39 ILE HB . . 6.700 3.679 3.081 4.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 6 TYR CZ 1 39 ILE MD . . 8.500 5.840 4.971 6.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 6 TYR CZ 1 39 ILE HG12 . . 7.500 5.312 4.707 6.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 6 TYR CZ 1 39 ILE HG13 . . 7.500 4.706 3.611 6.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
118 1 6 TYR CZ 1 39 ILE MG . . 8.500 4.053 2.751 5.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 6 TYR H 1 6 TYR QB . . 3.500 2.354 2.066 2.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 6 TYR H 1 7 GLU H . . 5.500 4.114 2.799 4.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 6 TYR H 1 12 ASN HA . . 5.200 4.660 4.009 5.098 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 6 TYR H 1 12 ASN QB . . 5.500 3.611 2.848 4.112 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 6 TYR H 1 13 VAL H . . 3.400 2.946 2.369 3.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 6 TYR H 1 13 VAL HA . . 5.500 5.208 4.400 5.542 0.042 22 0 "[ . 1 . 2 . 3 .]" 1
125 1 6 TYR H 1 13 VAL MG1 . . 6.500 2.642 2.109 3.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 6 TYR H 1 13 VAL MG2 . . 6.500 4.697 2.252 5.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 6 TYR H 1 14 THR H . . 4.500 3.211 2.229 4.631 0.131 27 0 "[ . 1 . 2 . 3 .]" 1
128 1 6 TYR H 1 14 THR HA . . 4.700 3.689 2.895 4.283 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 6 TYR H 1 14 THR MG . . 6.500 5.642 5.065 6.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 6 TYR H 1 15 PHE H . . 4.100 3.709 2.591 4.173 0.073 4 0 "[ . 1 . 2 . 3 .]" 1
131 1 6 TYR HA 1 7 GLU H . . 5.100 2.244 2.087 3.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 6 TYR QB 1 7 GLU H . . 5.300 3.533 2.692 3.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 6 TYR QB 1 8 ASN HD21 . . 5.000 3.436 2.501 4.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 6 TYR QB 1 8 ASN HD22 . . 5.500 3.605 2.414 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 6 TYR QB 1 12 ASN QB . . 4.500 4.286 3.935 4.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 6 TYR QB 1 13 VAL H . . 4.000 3.217 2.841 3.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 6 TYR QB 1 13 VAL HA . . 5.500 5.211 4.756 5.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 6 TYR QB 1 13 VAL HB . . 5.500 4.015 2.560 4.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 6 TYR QB 1 39 ILE MG . . 6.500 4.684 4.141 4.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 7 GLU H 1 7 GLU HB2 . . 3.700 2.618 2.384 3.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 7 GLU H 1 7 GLU HB3 . . 4.000 3.595 3.112 3.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 7 GLU H 1 7 GLU HG2 . . 5.000 3.198 2.122 3.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 7 GLU H 1 7 GLU HG3 . . 3.900 2.354 1.997 3.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 7 GLU H 1 13 VAL H . . 5.500 5.034 2.998 5.516 0.016 3 0 "[ . 1 . 2 . 3 .]" 1
145 1 7 GLU HA 1 7 GLU HG2 . . 3.700 2.709 2.257 3.702 0.002 32 0 "[ . 1 . 2 . 3 .]" 1
146 1 7 GLU HA 1 8 ASN H . . 3.200 2.230 2.065 2.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 7 GLU HA 1 8 ASN HD21 . . 4.700 3.945 3.132 4.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 7 GLU HA 1 8 ASN HD22 . . 5.500 4.259 3.547 4.990 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 7 GLU HA 1 12 ASN HA . . 3.400 2.839 2.376 3.406 0.006 7 0 "[ . 1 . 2 . 3 .]" 1
150 1 7 GLU HA 1 12 ASN QB . . 4.400 2.191 1.933 3.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
151 1 7 GLU HA 1 12 ASN HD21 . . 5.500 3.780 2.171 4.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 7 GLU HA 1 12 ASN HD22 . . 5.500 4.737 3.165 5.578 0.078 12 0 "[ . 1 . 2 . 3 .]" 1
153 1 7 GLU HA 1 13 VAL H . . 5.100 4.207 3.671 4.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 7 GLU HB2 1 7 GLU HG2 . . 2.900 2.939 2.736 3.001 0.101 12 0 "[ . 1 . 2 . 3 .]" 1
155 1 7 GLU HB2 1 8 ASN H . . 5.200 4.422 3.530 4.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 7 GLU HB3 1 7 GLU HG2 . . 2.800 2.501 2.298 2.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 7 GLU HB3 1 8 ASN H . . 4.700 3.930 3.432 4.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 7 GLU HG2 1 12 ASN HD21 . . 4.800 2.966 1.969 4.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 7 GLU HG2 1 12 ASN HD22 . . 4.500 3.960 2.465 4.818 0.318 23 0 "[ . 1 . 2 . 3 .]" 1
160 1 7 GLU HG3 1 12 ASN HD22 . . 5.500 5.161 3.616 6.310 0.810 6 4 "[ - .+ 1 . 2* . 3 * .]" 1
161 1 8 ASN H 1 8 ASN HD21 . . 4.400 2.513 1.999 3.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 8 ASN H 1 8 ASN HD22 . . 5.100 3.144 2.818 3.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 8 ASN H 1 10 ALA H . . 4.700 4.743 4.544 4.841 0.141 28 0 "[ . 1 . 2 . 3 .]" 1
164 1 8 ASN H 1 11 GLY H . . 4.500 4.116 3.476 4.572 0.072 23 0 "[ . 1 . 2 . 3 .]" 1
165 1 8 ASN H 1 12 ASN H . . 5.500 4.351 3.648 5.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 8 ASN H 1 12 ASN HA . . 4.400 2.732 2.387 3.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 8 ASN H 1 13 VAL H . . 4.800 4.615 4.007 4.823 0.023 28 0 "[ . 1 . 2 . 3 .]" 1
168 1 8 ASN HA 1 8 ASN HB2 . . 3.100 2.667 2.383 3.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 8 ASN HA 1 9 ALA H . . 4.600 2.789 2.298 3.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 8 ASN HA 1 9 ALA MB . . 4.900 4.050 3.927 4.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 8 ASN HB2 1 8 ASN HD21 . . 3.300 3.061 2.157 3.653 0.353 23 0 "[ . 1 . 2 . 3 .]" 1
172 1 8 ASN HB2 1 9 ALA H . . 3.400 2.758 1.953 3.569 0.169 35 0 "[ . 1 . 2 . 3 .]" 1
173 1 8 ASN HB2 1 10 ALA H . . 4.900 3.069 2.288 3.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
174 1 8 ASN HB2 1 11 GLY H . . 5.500 4.307 2.561 5.980 0.480 23 0 "[ . 1 . 2 . 3 .]" 1
175 1 8 ASN HB3 1 8 ASN HD22 . . 4.300 3.779 3.537 4.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 8 ASN HB3 1 9 ALA H . . 3.700 3.404 2.597 3.776 0.076 5 0 "[ . 1 . 2 . 3 .]" 1
177 1 8 ASN HB3 1 10 ALA H . . 5.500 4.185 2.483 5.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 8 ASN HD21 1 11 GLY H . . 5.500 4.588 3.759 5.538 0.038 2 0 "[ . 1 . 2 . 3 .]" 1
179 1 8 ASN HD21 1 12 ASN HA . . 3.900 2.642 2.293 3.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 8 ASN HD21 1 13 VAL H . . 3.900 3.689 3.349 3.956 0.056 30 0 "[ . 1 . 2 . 3 .]" 1
181 1 8 ASN HD21 1 13 VAL HB . . 5.200 4.069 2.924 5.205 0.005 15 0 "[ . 1 . 2 . 3 .]" 1
182 1 8 ASN HD21 1 13 VAL MG1 . . 6.500 3.438 2.114 5.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 8 ASN HD22 1 11 GLY H . . 5.400 4.550 3.068 5.487 0.087 1 0 "[ . 1 . 2 . 3 .]" 1
184 1 8 ASN HD22 1 12 ASN HA . . 3.900 2.523 2.307 3.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 8 ASN HD22 1 13 VAL H . . 4.300 3.365 2.385 3.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 8 ASN HD22 1 13 VAL HB . . 4.700 3.573 2.068 4.751 0.051 31 0 "[ . 1 . 2 . 3 .]" 1
187 1 8 ASN HD22 1 13 VAL MG1 . . 6.500 3.110 1.890 5.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 9 ALA H 1 9 ALA MB . . 3.300 2.401 2.182 2.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 9 ALA H 1 10 ALA H . . 3.900 2.414 1.908 2.847 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 9 ALA H 1 11 GLY H . . 5.000 3.837 2.346 4.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
191 1 9 ALA HA 1 10 ALA H . . 4.300 3.525 3.453 3.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 9 ALA HA 1 11 GLY H . . 5.500 3.914 3.640 4.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 9 ALA MB 1 10 ALA H . . 4.200 2.766 2.355 3.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 9 ALA MB 1 11 GLY H . . 5.300 4.406 4.233 4.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 10 ALA H 1 11 GLY H . . 3.200 2.672 2.352 3.235 0.035 23 0 "[ . 1 . 2 . 3 .]" 1
196 1 10 ALA H 1 11 GLY QA . . 5.500 4.606 4.450 4.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 10 ALA MB 1 11 GLY H . . 5.600 3.306 2.521 3.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
198 1 11 GLY H 1 12 ASN H . . 4.400 3.965 3.581 4.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 11 GLY QA 1 12 ASN H . . 3.100 2.233 2.167 2.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 11 GLY QA 1 12 ASN HA . . 5.300 4.045 3.938 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 11 GLY QA 1 67 ILE H . . 4.500 3.195 2.737 3.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
202 1 11 GLY QA 1 67 ILE HG12 . . 4.500 4.709 4.318 5.491 0.991 29 7 "[ - . 1 * .* **2 * +3 .]" 1
203 1 11 GLY QA 1 68 LYS HA . . 5.500 4.629 3.698 5.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 11 GLY QA 1 68 LYS QB . . 5.500 4.474 3.107 5.238 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 12 ASN H 1 12 ASN QB . . 3.600 2.767 2.516 3.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 12 ASN H 1 12 ASN HD21 . . 5.500 4.219 2.658 4.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 12 ASN H 1 12 ASN HD22 . . 5.500 4.258 3.505 4.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 12 ASN H 1 13 VAL H . . 5.000 4.618 4.556 4.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 12 ASN HA 1 12 ASN HD21 . . 4.600 4.430 3.943 4.730 0.130 15 0 "[ . 1 . 2 . 3 .]" 1
210 1 12 ASN HA 1 13 VAL H . . 2.800 2.331 2.164 2.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 12 ASN HA 1 13 VAL MG1 . . 6.500 3.581 2.931 4.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 12 ASN QB 1 13 VAL H . . 3.800 2.460 2.161 2.762 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 12 ASN HD21 1 13 VAL H . . 5.500 4.934 2.660 5.745 0.245 18 0 "[ . 1 . 2 . 3 .]" 1
214 1 13 VAL H 1 13 VAL HB . . 4.300 2.953 2.359 3.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 13 VAL H 1 13 VAL MG1 . . 4.500 2.125 1.870 3.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 13 VAL H 1 14 THR H . . 4.500 2.962 2.212 4.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
217 1 13 VAL H 1 67 ILE H . . 5.500 4.970 4.831 5.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 13 VAL HA 1 14 THR H . . 2.800 3.199 2.205 3.548 0.748 32 23 "[ ******** **.****2** *.* * 3 +-**]" 1
219 1 13 VAL HA 1 14 THR HA . . 5.500 5.063 4.419 5.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 13 VAL HA 1 14 THR HB . . 4.700 4.325 4.045 4.706 0.006 23 0 "[ . 1 . 2 . 3 .]" 1
221 1 13 VAL HA 1 67 ILE H . . 4.300 3.606 3.329 4.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 13 VAL HB 1 67 ILE H . . 5.400 4.945 4.375 5.451 0.051 27 0 "[ . 1 . 2 . 3 .]" 1
223 1 13 VAL MG1 1 14 THR H . . 6.500 2.705 2.155 3.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 13 VAL MG1 1 15 PHE CZ . . 8.500 4.055 3.243 5.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 13 VAL MG2 1 14 THR H . . 5.200 3.255 1.793 4.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 13 VAL MG2 1 15 PHE CG . . 8.500 4.791 3.840 5.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 13 VAL MG2 1 15 PHE CZ . . 8.500 4.981 3.996 6.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 13 VAL MG2 1 15 PHE H . . 6.500 4.465 2.960 5.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 13 VAL MG2 1 65 CYS HA . . 6.500 3.135 2.518 5.017 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 13 VAL MG2 1 65 CYS HB2 . . 6.500 3.751 3.274 5.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 13 VAL MG2 1 65 CYS HB3 . . 6.500 2.414 2.030 4.116 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 14 THR H 1 14 THR HB . . 3.400 3.204 2.539 3.458 0.058 6 0 "[ . 1 . 2 . 3 .]" 1
233 1 14 THR H 1 15 PHE H . . 3.400 3.463 3.298 3.632 0.232 30 0 "[ . 1 . 2 . 3 .]" 1
234 1 14 THR HA 1 15 PHE H . . 2.900 2.098 1.987 2.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 14 THR HA 1 15 PHE HB2 . . 4.400 4.301 4.026 4.431 0.031 16 0 "[ . 1 . 2 . 3 .]" 1
236 1 14 THR HB 1 15 PHE H . . 4.800 4.547 4.324 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
237 1 14 THR MG 1 15 PHE H . . 5.400 3.464 3.126 3.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 14 THR MG 1 16 ASP HA . . 6.500 3.573 2.718 4.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 14 THR MG 1 16 ASP HB3 . . 6.500 4.048 2.244 4.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 15 PHE CG 1 39 ILE HB . . 7.000 6.075 5.177 7.061 0.061 3 0 "[ . 1 . 2 . 3 .]" 1
241 1 15 PHE CG 1 39 ILE MD . . 8.500 5.856 5.227 6.293 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 15 PHE CG 1 39 ILE HG12 . . 7.500 6.678 6.111 7.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 15 PHE CG 1 39 ILE HG13 . . 7.500 5.126 4.597 5.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 15 PHE CG 1 39 ILE MG . . 8.500 4.725 4.021 5.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 15 PHE CZ 1 39 ILE MG . . 8.500 2.685 2.459 3.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 15 PHE H 1 15 PHE HB2 . . 3.500 2.281 2.087 2.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 15 PHE H 1 15 PHE HB3 . . 3.800 3.518 3.039 3.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 15 PHE H 1 16 ASP H . . 5.500 4.263 3.976 4.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 15 PHE HA 1 16 ASP H . . 3.900 2.294 2.152 2.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 15 PHE HA 1 16 ASP HB3 . . 5.500 5.597 4.539 5.942 0.442 16 0 "[ . 1 . 2 . 3 .]" 1
251 1 15 PHE HZ 1 39 ILE MG . . 6.500 2.215 1.917 3.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 16 ASP H 1 16 ASP HB3 . . 3.900 3.465 2.738 3.912 0.012 16 0 "[ . 1 . 2 . 3 .]" 1
253 1 16 ASP H 1 17 HIS H . . 4.800 4.008 3.390 4.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 16 ASP HA 1 17 HIS H . . 2.900 2.336 2.158 2.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 16 ASP HA 1 17 HIS HA . . 5.500 4.564 4.445 4.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 16 ASP HA 1 17 HIS HB2 . . 4.700 4.386 4.016 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 16 ASP HA 1 18 LYS H . . 3.800 3.717 3.281 3.864 0.064 15 0 "[ . 1 . 2 . 3 .]" 1
258 1 16 ASP HA 1 19 ALA H . . 5.500 3.911 3.525 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 16 ASP HB2 1 17 HIS H . . 5.500 4.369 3.911 4.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 16 ASP HB2 1 19 ALA H . . 5.500 4.009 3.030 5.516 0.016 31 0 "[ . 1 . 2 . 3 .]" 1
261 1 16 ASP HB2 1 19 ALA MB . . 5.500 2.944 2.110 4.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 16 ASP HB3 1 17 HIS H . . 4.800 4.080 3.322 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 16 ASP HB3 1 19 ALA H . . 5.500 3.158 2.128 4.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 16 ASP HB3 1 19 ALA MB . . 6.100 2.395 2.034 3.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 17 HIS H 1 17 HIS HB2 . . 3.700 2.150 2.024 2.370 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 17 HIS H 1 17 HIS HB3 . . 3.500 3.172 2.797 3.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 17 HIS H 1 18 LYS H . . 3.300 2.661 2.159 3.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 17 HIS H 1 18 LYS HB2 . . 5.100 4.865 3.865 5.210 0.110 17 0 "[ . 1 . 2 . 3 .]" 1
269 1 17 HIS H 1 19 ALA H . . 5.500 4.422 3.759 4.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 17 HIS HA 1 18 LYS H . . 4.400 3.523 3.452 3.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 17 HIS HA 1 19 ALA H . . 5.500 5.356 5.036 5.521 0.021 10 0 "[ . 1 . 2 . 3 .]" 1
272 1 17 HIS HA 1 20 HIS H . . 5.500 4.754 4.417 5.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 17 HIS HA 1 20 HIS HB2 . . 5.500 4.047 3.434 4.928 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 17 HIS HA 1 21 ALA H . . 5.500 4.349 3.954 4.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 17 HIS HB2 1 18 LYS H . . 3.300 3.194 2.541 3.403 0.103 17 0 "[ . 1 . 2 . 3 .]" 1
276 1 18 LYS H 1 18 LYS HB2 . . 3.200 2.367 2.001 2.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 18 LYS H 1 18 LYS HB3 . . 3.200 2.712 2.337 3.290 0.090 25 0 "[ . 1 . 2 . 3 .]" 1
278 1 18 LYS H 1 18 LYS HG2 . . 5.500 4.464 3.466 4.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 18 LYS H 1 18 LYS HG3 . . 5.500 4.385 3.482 4.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 18 LYS H 1 19 ALA H . . 3.500 2.812 2.324 3.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 18 LYS H 1 19 ALA HA . . 5.500 5.347 4.962 5.564 0.064 3 0 "[ . 1 . 2 . 3 .]" 1
282 1 18 LYS H 1 19 ALA MB . . 6.000 4.465 3.979 4.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 18 LYS H 1 20 HIS H . . 5.000 4.353 3.989 4.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 18 LYS H 1 21 ALA H . . 5.500 4.687 4.535 4.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 18 LYS H 1 21 ALA MB . . 6.000 4.510 4.361 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
286 1 18 LYS H 1 22 GLU QG . . 5.500 5.565 5.292 5.785 0.285 9 0 "[ . 1 . 2 . 3 .]" 1
287 1 18 LYS HA 1 18 LYS HG2 . . 4.100 2.957 2.187 3.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 18 LYS HA 1 18 LYS HG3 . . 3.300 2.818 2.174 3.622 0.322 12 0 "[ . 1 . 2 . 3 .]" 1
289 1 18 LYS HA 1 19 ALA H . . 4.400 3.639 3.568 3.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 18 LYS HA 1 20 HIS H . . 5.500 4.761 4.501 5.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 18 LYS HA 1 21 ALA H . . 5.200 3.683 3.294 3.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 18 LYS HA 1 21 ALA MB . . 3.800 2.526 2.291 2.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 18 LYS HA 1 22 GLU H . . 5.500 3.924 3.789 4.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 18 LYS HB2 1 19 ALA H . . 3.900 3.563 2.741 3.913 0.013 27 0 "[ . 1 . 2 . 3 .]" 1
295 1 18 LYS HB3 1 18 LYS HG2 . . 2.800 2.610 2.226 3.066 0.266 19 0 "[ . 1 . 2 . 3 .]" 1
296 1 18 LYS HB3 1 19 ALA H . . 3.400 2.341 2.002 2.731 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 18 LYS HB3 1 19 ALA MB . . 6.500 3.728 3.523 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 18 LYS QD 1 19 ALA H . . 6.500 4.208 2.873 5.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 18 LYS QE 1 22 GLU QG . . 6.500 3.802 2.391 5.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 18 LYS HG2 1 19 ALA H . . 4.900 4.204 3.017 4.930 0.030 19 0 "[ . 1 . 2 . 3 .]" 1
301 1 18 LYS HG3 1 19 ALA H . . 5.500 4.509 3.243 5.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 19 ALA H 1 19 ALA MB . . 3.300 2.223 2.180 2.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 19 ALA H 1 20 HIS H . . 3.500 2.940 2.860 3.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 19 ALA H 1 20 HIS HA . . 5.500 5.539 5.494 5.588 0.088 21 0 "[ . 1 . 2 . 3 .]" 1
305 1 19 ALA H 1 20 HIS HB2 . . 5.500 4.960 4.804 5.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 19 ALA H 1 21 ALA H . . 4.900 4.340 4.165 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 19 ALA H 1 22 GLU H . . 5.500 4.740 4.632 4.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 19 ALA HA 1 20 HIS H . . 4.500 3.590 3.527 3.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 19 ALA HA 1 21 ALA H . . 5.500 4.596 4.349 4.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 19 ALA HA 1 22 GLU H . . 4.600 3.454 3.221 3.724 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 19 ALA HA 1 22 GLU HB2 . . 3.200 2.886 2.491 3.160 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 19 ALA HA 1 22 GLU HB3 . . 4.300 4.320 4.113 4.357 0.057 27 0 "[ . 1 . 2 . 3 .]" 1
313 1 19 ALA HA 1 22 GLU QG . . 5.200 2.616 2.156 3.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 19 ALA HA 1 23 LYS H . . 5.500 4.868 4.066 5.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 19 ALA MB 1 20 HIS H . . 3.600 2.626 2.465 2.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 19 ALA MB 1 20 HIS HB2 . . 6.500 4.500 4.329 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
317 1 19 ALA MB 1 20 HIS HB3 . . 6.400 5.446 5.338 5.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 20 HIS H 1 20 HIS HB2 . . 4.100 2.304 2.188 2.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 20 HIS H 1 21 ALA H . . 3.400 2.745 2.529 2.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 20 HIS H 1 21 ALA MB . . 5.700 4.384 4.135 4.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 20 HIS H 1 22 GLU H . . 5.500 4.265 4.030 4.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 20 HIS H 1 22 GLU HB2 . . 5.500 5.233 4.879 5.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 20 HIS HA 1 21 ALA H . . 5.500 3.626 3.567 3.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 20 HIS HA 1 22 GLU H . . 5.500 4.540 4.287 4.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 20 HIS HA 1 23 LYS H . . 5.200 3.753 3.366 3.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 20 HIS HA 1 23 LYS QB . . 5.100 3.454 2.887 3.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 20 HIS HA 1 23 LYS QD . . 5.300 4.347 2.904 5.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 20 HIS HA 1 23 LYS HG3 . . 5.500 5.480 4.223 6.408 0.908 14 13 "[ ** ** 1 *+. - * * ***3 * .]" 1
329 1 20 HIS HA 1 24 LEU H . . 5.500 4.056 3.735 4.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 20 HIS HA 1 24 LEU MD2 . . 6.500 4.751 4.296 5.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 20 HIS HB2 1 21 ALA H . . 4.300 2.755 2.295 3.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 20 HIS HB2 1 21 ALA MB . . 6.500 4.284 3.836 5.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 20 HIS HB3 1 21 ALA H . . 5.500 3.218 2.759 3.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 20 HIS HB3 1 24 LEU MD2 . . 6.500 4.615 3.981 5.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 21 ALA H 1 21 ALA MB . . 3.300 2.244 2.216 2.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 21 ALA H 1 22 GLU H . . 3.700 2.900 2.674 2.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
337 1 21 ALA H 1 22 GLU HA . . 5.500 5.474 5.260 5.533 0.033 23 0 "[ . 1 . 2 . 3 .]" 1
338 1 21 ALA H 1 23 LYS H . . 5.500 4.384 4.248 4.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 21 ALA H 1 23 LYS QB . . 5.500 5.494 5.159 5.699 0.199 31 0 "[ . 1 . 2 . 3 .]" 1
340 1 21 ALA HA 1 22 GLU H . . 4.200 3.589 3.566 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 21 ALA HA 1 23 LYS H . . 5.100 4.031 3.817 4.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 21 ALA HA 1 24 LEU H . . 4.700 3.101 2.629 3.459 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 21 ALA HA 1 24 LEU HB2 . . 4.700 2.578 2.196 3.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 21 ALA HA 1 25 GLY H . . 4.500 2.488 1.990 2.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 21 ALA HA 1 26 CYS HA . . 5.500 4.198 3.818 4.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 21 ALA MB 1 22 GLU H . . 3.700 2.588 2.454 2.724 . 0 0 "[ . 1 . 2 . 3 .]" 1
347 1 21 ALA MB 1 22 GLU HA . . 5.600 3.892 3.818 3.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 21 ALA MB 1 22 GLU HB2 . . 6.500 4.727 4.505 4.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 21 ALA MB 1 22 GLU HB3 . . 6.500 5.397 5.253 5.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 21 ALA MB 1 22 GLU QG . . 6.500 3.449 3.073 3.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 21 ALA MB 1 23 LYS H . . 6.400 4.477 4.358 4.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 21 ALA MB 1 25 GLY H . . 6.200 3.550 3.285 3.843 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 21 ALA MB 1 26 CYS H . . 6.500 3.248 2.458 4.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 21 ALA MB 1 26 CYS HA . . 6.500 3.590 3.253 3.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 22 GLU H 1 22 GLU HB2 . . 3.300 2.492 2.337 2.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 22 GLU H 1 22 GLU HB3 . . 3.700 3.575 3.536 3.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 22 GLU H 1 22 GLU QG . . 3.500 2.169 2.054 2.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 22 GLU H 1 23 LYS H . . 3.500 2.929 2.839 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 22 GLU H 1 24 LEU H . . 5.500 4.228 4.011 4.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 22 GLU HA 1 22 GLU QG . . 3.600 2.720 2.243 3.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 22 GLU HA 1 23 LYS H . . 4.400 3.563 3.506 3.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 22 GLU HA 1 24 LEU H . . 5.500 4.871 4.481 5.170 . 0 0 "[ . 1 . 2 . 3 .]" 1
363 1 22 GLU HB2 1 22 GLU QG . . 2.600 2.220 2.159 2.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 22 GLU HB2 1 23 LYS H . . 3.600 2.912 2.562 3.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 22 GLU HB3 1 23 LYS H . . 4.000 3.831 3.568 4.052 0.052 21 0 "[ . 1 . 2 . 3 .]" 1
366 1 22 GLU QG 1 23 LYS H . . 5.500 4.273 4.019 4.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 1 23 LYS H 1 23 LYS QB . . 3.500 2.240 2.071 2.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 23 LYS H 1 23 LYS QD . . 4.600 4.097 2.130 4.896 0.296 23 0 "[ . 1 . 2 . 3 .]" 1
369 1 23 LYS H 1 23 LYS HG2 . . 4.700 4.163 3.571 4.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
370 1 23 LYS H 1 23 LYS HG3 . . 3.700 3.476 2.554 4.486 0.786 6 3 "[ .+ 1 . 2 . -3 *.]" 1
371 1 23 LYS H 1 24 LEU H . . 3.200 2.245 2.100 2.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 23 LYS H 1 24 LEU HA . . 5.500 4.994 4.834 5.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 23 LYS H 1 24 LEU HB2 . . 5.200 4.369 3.994 5.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 23 LYS H 1 24 LEU MD2 . . 6.500 4.890 4.302 5.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 23 LYS H 1 25 GLY H . . 5.400 4.190 3.708 5.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 23 LYS HA 1 23 LYS QD . . 4.900 3.938 3.072 4.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 23 LYS HA 1 23 LYS HG2 . . 3.600 2.603 2.127 3.780 0.180 17 0 "[ . 1 . 2 . 3 .]" 1
378 1 23 LYS HA 1 23 LYS HG3 . . 3.900 2.717 2.192 3.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 23 LYS HA 1 24 LEU H . . 4.600 3.542 3.409 3.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
380 1 23 LYS QB 1 24 LEU H . . 3.900 2.596 2.284 3.229 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 1 23 LYS QB 1 24 LEU HA . . 5.500 3.905 3.578 4.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 23 LYS QB 1 24 LEU MD1 . . 6.500 4.105 3.285 4.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 23 LYS QB 1 24 LEU MD2 . . 6.500 3.084 2.495 3.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 23 LYS HG2 1 24 LEU MD2 . . 6.500 4.715 2.241 5.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 1 23 LYS HG3 1 24 LEU H . . 5.400 4.695 4.162 5.490 0.090 23 0 "[ . 1 . 2 . 3 .]" 1
386 1 24 LEU H 1 24 LEU HB2 . . 3.400 2.417 2.241 2.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
387 1 24 LEU H 1 24 LEU HB3 . . 3.900 3.558 3.477 3.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 24 LEU H 1 24 LEU HG . . 3.300 2.503 2.232 2.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 24 LEU H 1 25 GLY H . . 3.200 2.770 2.211 3.216 0.016 13 0 "[ . 1 . 2 . 3 .]" 1
390 1 24 LEU H 1 25 GLY HA2 . . 5.200 4.865 4.443 5.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
391 1 24 LEU HA 1 24 LEU MD2 . . 4.000 2.149 2.060 2.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 24 LEU HA 1 24 LEU HG . . 3.500 3.213 2.819 3.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 24 LEU HA 1 25 GLY H . . 4.300 3.507 3.283 3.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 24 LEU HA 1 28 ALA MB . . 3.800 3.191 2.894 3.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 24 LEU HB2 1 25 GLY H . . 4.000 2.869 1.972 3.798 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 24 LEU HB2 1 28 ALA MB . . 5.700 3.058 2.376 3.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 24 LEU HB3 1 25 GLY H . . 4.400 3.672 2.450 4.409 0.009 10 0 "[ . 1 . 2 . 3 .]" 1
398 1 24 LEU HB3 1 28 ALA H . . 5.500 4.099 3.691 4.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 24 LEU HB3 1 28 ALA MB . . 5.200 1.924 1.883 2.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 24 LEU MD1 1 25 GLY H . . 6.500 4.724 3.758 5.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 24 LEU HG 1 25 GLY H . . 5.500 4.641 4.163 4.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 25 GLY H 1 26 CYS H . . 4.000 3.102 2.381 4.195 0.195 3 0 "[ . 1 . 2 . 3 .]" 1
403 1 25 GLY HA2 1 26 CYS H . . 3.500 2.851 2.629 3.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
404 1 25 GLY HA2 1 26 CYS HA . . 5.300 4.795 4.535 5.344 0.044 10 0 "[ . 1 . 2 . 3 .]" 1
405 1 25 GLY HA2 1 27 ASP H . . 5.500 4.597 4.274 5.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
406 1 25 GLY HA2 1 28 ALA H . . 5.500 5.408 4.682 5.616 0.116 12 0 "[ . 1 . 2 . 3 .]" 1
407 1 25 GLY HA3 1 26 CYS H . . 3.500 3.201 2.161 3.528 0.028 26 0 "[ . 1 . 2 . 3 .]" 1
408 1 25 GLY HA3 1 27 ASP H . . 5.500 3.929 3.050 4.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 25 GLY HA3 1 28 ALA H . . 5.500 4.298 3.084 4.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 26 CYS H 1 26 CYS QB . . 3.600 3.252 2.687 3.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 26 CYS H 1 27 ASP H . . 3.800 3.306 1.975 3.823 0.023 22 0 "[ . 1 . 2 . 3 .]" 1
412 1 26 CYS H 1 28 ALA MB . . 4.700 3.906 3.327 3.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 26 CYS HA 1 27 ASP H . . 4.700 3.559 3.445 3.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 26 CYS HA 1 27 ASP HA . . 5.500 4.975 4.654 5.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
415 1 26 CYS HA 1 28 ALA H . . 5.500 4.433 4.055 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 26 CYS QB 1 27 ASP H . . 3.700 2.305 2.194 2.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
417 1 26 CYS QB 1 27 ASP HA . . 5.500 3.805 3.635 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 26 CYS QB 1 29 CYS QB . . 4.700 4.757 4.738 4.782 0.082 3 0 "[ . 1 . 2 . 3 .]" 1
419 1 27 ASP H 1 28 ALA H . . 3.400 2.908 2.754 3.172 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 27 ASP H 1 28 ALA HA . . 5.500 5.505 5.387 5.577 0.077 5 0 "[ . 1 . 2 . 3 .]" 1
421 1 27 ASP H 1 28 ALA MB . . 5.100 4.282 4.248 4.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 1 27 ASP H 1 29 CYS H . . 5.500 4.361 4.270 4.442 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 27 ASP HA 1 28 ALA H . . 4.200 3.504 3.317 3.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 27 ASP HA 1 28 ALA MB . . 6.500 4.866 4.616 4.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 27 ASP HA 1 29 CYS H . . 4.900 3.885 3.269 4.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 27 ASP HA 1 31 GLU HA . . 5.500 4.017 3.083 4.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 27 ASP HA 1 32 GLY H . . 5.500 3.424 2.879 4.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 27 ASP QB 1 28 ALA H . . 6.200 2.635 2.184 3.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 28 ALA H 1 28 ALA MB . . 3.300 2.129 2.078 2.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 28 ALA H 1 29 CYS H . . 3.200 3.036 2.658 3.224 0.024 13 0 "[ . 1 . 2 . 3 .]" 1
431 1 28 ALA HA 1 29 CYS H . . 4.400 3.567 3.532 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 28 ALA MB 1 29 CYS H . . 3.900 2.714 2.582 2.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 29 CYS QB 1 37 ILE MD . . 6.500 3.390 2.617 3.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 31 GLU H 1 31 GLU HB3 . . 3.500 3.368 2.428 3.830 0.330 18 0 "[ . 1 . 2 . 3 .]" 1
435 1 31 GLU H 1 32 GLY H . . 4.000 3.871 3.385 4.106 0.106 25 0 "[ . 1 . 2 . 3 .]" 1
436 1 31 GLU HA 1 32 GLY H . . 3.300 2.394 2.190 2.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 1 31 GLU HB2 1 32 GLY H . . 4.900 4.497 4.279 4.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 31 GLU HB3 1 32 GLY H . . 4.100 4.321 4.013 4.610 0.510 16 2 "[ - . 1 .+ 2 . 3 .]" 1
439 1 32 GLY H 1 33 THR H . . 5.500 3.783 2.940 4.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 33 THR H 1 33 THR HB . . 4.300 3.056 2.466 3.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 33 THR HA 1 34 PRO HD2 . . 5.500 2.216 2.114 2.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 33 THR HB 1 34 PRO HA . . 5.500 5.162 4.857 5.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 33 THR MG 1 34 PRO HG2 . . 6.500 4.597 3.977 6.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 1 33 THR MG 1 35 ALA MB . . 7.500 3.342 2.790 4.859 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 34 PRO HA 1 35 ALA H . . 3.300 2.302 2.146 3.391 0.091 25 0 "[ . 1 . 2 . 3 .]" 1
446 1 34 PRO HA 1 35 ALA MB . . 5.600 3.932 3.766 4.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 34 PRO HD3 1 34 PRO HG2 . . 2.900 3.007 2.973 3.027 0.127 15 0 "[ . 1 . 2 . 3 .]" 1
448 1 35 ALA HA 1 36 LYS H . . 3.300 2.590 2.371 3.430 0.130 30 0 "[ . 1 . 2 . 3 .]" 1
449 1 35 ALA HA 1 36 LYS HA . . 5.500 4.368 4.182 4.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 35 ALA HA 1 36 LYS QB . . 5.500 4.552 4.219 4.870 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 35 ALA HA 1 36 LYS QG . . 5.500 4.339 3.613 5.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
452 1 35 ALA MB 1 36 LYS H . . 3.400 2.349 2.156 2.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 35 ALA MB 1 36 LYS QB . . 6.500 4.304 3.869 4.660 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 36 LYS H 1 36 LYS QB . . 3.200 2.668 2.373 3.380 0.180 16 0 "[ . 1 . 2 . 3 .]" 1
455 1 36 LYS H 1 36 LYS QG . . 2.900 2.356 1.986 3.186 0.286 3 0 "[ . 1 . 2 . 3 .]" 1
456 1 36 LYS H 1 37 ILE H . . 5.500 4.304 4.026 4.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
457 1 36 LYS HA 1 36 LYS HD2 . . 5.400 4.488 3.296 5.510 0.110 2 0 "[ . 1 . 2 . 3 .]" 1
458 1 36 LYS HA 1 36 LYS QG . . 3.500 3.152 2.191 3.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 36 LYS HA 1 37 ILE H . . 2.900 2.209 2.080 2.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 36 LYS HA 1 37 ILE HA . . 5.500 4.510 4.375 4.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 36 LYS HA 1 37 ILE HB . . 4.800 4.502 4.335 4.817 0.017 30 0 "[ . 1 . 2 . 3 .]" 1
462 1 36 LYS QB 1 36 LYS HD2 . . 3.100 2.451 2.123 3.389 0.289 16 0 "[ . 1 . 2 . 3 .]" 1
463 1 36 LYS QB 1 36 LYS HE2 . . 4.400 3.857 2.369 4.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 36 LYS QB 1 36 LYS HE3 . . 3.900 3.714 2.119 4.408 0.508 30 1 "[ . 1 . 2 . + .]" 1
465 1 36 LYS QB 1 37 ILE H . . 3.600 3.294 2.115 3.673 0.073 33 0 "[ . 1 . 2 . 3 .]" 1
466 1 36 LYS QB 1 38 ALA HA . . 5.500 4.822 3.730 5.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 36 LYS QG 1 37 ILE H . . 5.100 4.244 3.237 4.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 37 ILE H 1 37 ILE HB . . 3.500 2.544 2.347 2.970 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 37 ILE H 1 37 ILE HG12 . . 5.300 3.683 2.961 4.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
470 1 37 ILE H 1 37 ILE HG13 . . 5.000 2.450 1.994 3.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 37 ILE H 1 38 ALA H . . 5.500 4.169 1.909 4.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 1 37 ILE HA 1 37 ILE HG12 . . 3.400 2.641 2.493 2.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 37 ILE HA 1 37 ILE HG13 . . 3.900 3.023 2.809 3.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 37 ILE HA 1 38 ALA H . . 3.100 2.413 2.195 3.307 0.207 10 0 "[ . 1 . 2 . 3 .]" 1
475 1 37 ILE HB 1 38 ALA H . . 5.100 4.113 3.262 4.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 37 ILE HB 1 39 ILE MD . . 6.500 3.075 2.552 4.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 1 37 ILE HB 1 39 ILE HG12 . . 5.500 3.433 2.792 4.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 37 ILE MD 1 38 ALA H . . 6.500 5.249 5.029 5.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 37 ILE MD 1 39 ILE MD . . 7.500 3.674 3.124 4.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 37 ILE MD 1 48 ALA MB . . 7.500 4.271 3.773 4.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 37 ILE HG12 1 38 ALA H . . 4.900 4.636 4.398 4.932 0.032 15 0 "[ . 1 . 2 . 3 .]" 1
482 1 37 ILE HG13 1 38 ALA H . . 5.500 4.976 4.204 5.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 37 ILE MG 1 38 ALA H . . 5.200 2.948 2.387 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 37 ILE MG 1 38 ALA MB . . 6.900 3.906 3.579 4.475 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 37 ILE MG 1 39 ILE HG12 . . 4.900 3.370 2.819 4.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 37 ILE MG 1 43 SER HB3 . . 6.500 4.261 3.257 5.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 38 ALA H 1 38 ALA MB . . 3.300 2.367 2.253 2.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 38 ALA H 1 39 ILE H . . 4.900 4.218 3.121 4.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 38 ALA HA 1 39 ILE H . . 2.800 2.081 2.017 2.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 38 ALA HA 1 39 ILE HA . . 5.200 4.445 4.401 4.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 38 ALA HA 1 39 ILE HB . . 4.700 4.519 4.321 4.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 38 ALA HA 1 39 ILE MD . . 6.500 4.557 4.294 4.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 38 ALA HA 1 39 ILE HG12 . . 4.800 3.832 3.636 4.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 38 ALA HA 1 39 ILE MG . . 6.500 5.437 5.419 5.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 38 ALA MB 1 39 ILE H . . 3.900 3.324 3.279 3.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 39 ILE H 1 39 ILE HB . . 3.200 2.478 2.275 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
497 1 39 ILE H 1 39 ILE MD . . 5.800 3.583 3.413 3.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
498 1 39 ILE H 1 39 ILE HG12 . . 3.300 2.534 2.379 2.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 39 ILE H 1 39 ILE HG13 . . 3.800 3.832 3.580 3.888 0.088 26 0 "[ . 1 . 2 . 3 .]" 1
500 1 39 ILE H 1 40 ASP H . . 4.900 4.385 3.873 4.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 39 ILE HA 1 39 ILE MD . . 3.800 2.150 2.103 2.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 39 ILE HA 1 39 ILE HG12 . . 4.300 3.127 2.831 3.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 39 ILE HA 1 39 ILE HG13 . . 4.500 3.709 3.619 3.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 39 ILE HA 1 40 ASP H . . 3.000 2.109 2.032 2.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 39 ILE HA 1 43 SER HB2 . . 5.500 2.918 2.182 4.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 39 ILE HA 1 44 ALA H . . 4.800 3.790 3.420 4.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 39 ILE HA 1 44 ALA MB . . 6.500 3.797 3.153 4.370 . 0 0 "[ . 1 . 2 . 3 .]" 1
508 1 39 ILE HA 1 48 ALA MB . . 6.500 4.357 3.966 4.884 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 39 ILE HB 1 39 ILE HG12 . . 2.700 2.450 2.405 2.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 39 ILE HB 1 39 ILE HG13 . . 2.800 2.394 2.328 2.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 39 ILE HB 1 40 ASP H . . 4.400 4.260 3.896 4.421 0.021 11 0 "[ . 1 . 2 . 3 .]" 1
512 1 39 ILE HB 1 44 ALA MB . . 6.500 4.745 4.214 5.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 1 39 ILE MD 1 40 ASP H . . 6.200 3.737 3.385 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 39 ILE MD 1 43 SER HB2 . . 6.500 3.106 2.134 4.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
515 1 39 ILE MD 1 43 SER HB3 . . 6.500 3.540 2.505 4.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 39 ILE MD 1 44 ALA H . . 6.500 4.072 3.603 4.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 39 ILE MD 1 44 ALA HA . . 6.500 3.705 3.256 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 39 ILE MD 1 44 ALA MB . . 6.900 3.379 2.219 3.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 1 39 ILE MD 1 48 ALA H . . 6.500 5.182 4.446 5.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
520 1 39 ILE MD 1 48 ALA MB . . 5.500 2.529 2.017 2.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 39 ILE HG12 1 40 ASP H . . 5.500 5.118 4.805 5.290 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 39 ILE HG13 1 40 ASP H . . 5.500 5.452 5.056 5.601 0.101 2 0 "[ . 1 . 2 . 3 .]" 1
523 1 39 ILE MG 1 40 ASP H . . 5.500 2.767 2.140 3.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 39 ILE MG 1 40 ASP HA . . 6.300 3.544 3.034 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 39 ILE MG 1 43 SER HB3 . . 6.500 4.794 3.727 5.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 39 ILE MG 1 44 ALA H . . 6.500 3.352 2.671 4.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 39 ILE MG 1 44 ALA HA . . 6.500 3.583 2.742 4.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 39 ILE MG 1 44 ALA MB . . 6.200 2.132 1.870 2.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 39 ILE MG 1 48 ALA MB . . 7.500 3.918 3.384 4.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 40 ASP H 1 43 SER H . . 5.200 3.223 2.783 3.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 40 ASP H 1 43 SER HB2 . . 5.500 3.013 1.957 4.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 40 ASP H 1 44 ALA H . . 4.500 2.770 2.261 3.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 40 ASP H 1 44 ALA MB . . 5.300 3.296 2.551 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 40 ASP H 1 48 ALA MB . . 6.500 5.081 4.667 5.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 40 ASP HA 1 41 LYS H . . 3.100 2.465 2.216 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 40 ASP HA 1 41 LYS QG . . 6.500 4.510 3.546 5.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 40 ASP HB2 1 41 LYS H . . 3.300 3.338 2.087 3.739 0.439 33 0 "[ . 1 . 2 . 3 .]" 1
538 1 40 ASP HB2 1 42 LYS H . . 5.000 4.029 1.984 5.416 0.416 11 0 "[ . 1 . 2 . 3 .]" 1
539 1 40 ASP HB3 1 41 LYS H . . 3.700 3.240 2.176 3.764 0.064 21 0 "[ . 1 . 2 . 3 .]" 1
540 1 40 ASP HB3 1 42 LYS H . . 5.500 3.658 2.400 4.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 41 LYS H 1 41 LYS QG . . 4.900 2.502 1.738 4.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
542 1 41 LYS H 1 42 LYS H . . 4.000 3.293 2.686 3.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 41 LYS HA 1 42 LYS H . . 4.900 2.938 2.349 3.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
544 1 41 LYS HA 1 44 ALA MB . . 4.900 3.307 2.323 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 41 LYS QB 1 42 LYS H . . 5.000 3.940 3.239 4.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 1 41 LYS QB 1 44 ALA H . . 6.500 5.753 5.351 5.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 41 LYS QG 1 42 LYS H . . 6.100 3.748 2.434 4.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 42 LYS H 1 42 LYS QB . . 3.800 2.649 2.181 3.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
549 1 42 LYS H 1 42 LYS QG . . 4.800 3.651 2.108 4.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 42 LYS H 1 43 SER H . . 3.400 2.343 1.971 2.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 42 LYS H 1 43 SER HA . . 5.000 4.744 4.325 5.114 0.114 3 0 "[ . 1 . 2 . 3 .]" 1
552 1 42 LYS H 1 44 ALA H . . 5.500 3.237 2.604 4.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
553 1 42 LYS HA 1 43 SER H . . 4.600 3.599 3.326 3.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 1 42 LYS HA 1 44 ALA H . . 5.500 5.007 4.634 5.529 0.029 4 0 "[ . 1 . 2 . 3 .]" 1
555 1 42 LYS HA 1 45 HIS H . . 5.500 4.247 3.767 5.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 42 LYS HA 1 45 HIS HB2 . . 4.900 3.751 2.893 4.937 0.037 4 0 "[ . 1 . 2 . 3 .]" 1
557 1 42 LYS HA 1 45 HIS HB3 . . 5.500 5.228 4.564 5.557 0.057 16 0 "[ . 1 . 2 . 3 .]" 1
558 1 42 LYS QB 1 43 SER H . . 4.900 2.402 1.902 3.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 1 42 LYS QG 1 43 SER H . . 6.500 3.570 1.943 4.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 43 SER H 1 43 SER HB2 . . 3.700 2.945 2.407 3.704 0.004 4 0 "[ . 1 . 2 . 3 .]" 1
561 1 43 SER H 1 43 SER HB3 . . 4.100 3.264 2.611 3.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 43 SER H 1 44 ALA H . . 2.900 2.708 2.254 2.973 0.073 24 0 "[ . 1 . 2 . 3 .]" 1
563 1 43 SER HA 1 44 ALA H . . 4.500 3.588 3.528 3.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 43 SER HA 1 46 LYS H . . 4.600 3.676 3.327 4.623 0.023 7 0 "[ . 1 . 2 . 3 .]" 1
565 1 43 SER HA 1 47 ASP H . . 5.100 3.733 3.185 4.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 43 SER HA 1 48 ALA H . . 4.000 3.914 3.451 4.122 0.122 28 0 "[ . 1 . 2 . 3 .]" 1
567 1 43 SER HB2 1 44 ALA H . . 4.700 2.772 2.202 3.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 43 SER HB2 1 48 ALA H . . 5.500 4.950 3.913 5.563 0.063 27 0 "[ . 1 . 2 . 3 .]" 1
569 1 43 SER HB2 1 48 ALA MB . . 5.600 3.212 2.321 4.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
570 1 43 SER HB3 1 44 ALA H . . 4.800 3.664 2.415 4.119 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 43 SER HB3 1 48 ALA H . . 4.700 4.610 3.667 5.524 0.824 11 9 "[ ** ** 1+ .*- * . 3 *.]" 1
572 1 43 SER HB3 1 48 ALA MB . . 4.800 3.170 2.319 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 44 ALA H 1 44 ALA MB . . 3.300 2.209 2.125 2.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
574 1 44 ALA H 1 45 HIS H . . 3.900 2.776 2.615 2.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 44 ALA H 1 48 ALA MB . . 4.900 3.842 3.516 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 1 44 ALA HA 1 45 HIS H . . 4.800 3.488 3.341 3.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 44 ALA HA 1 48 ALA MB . . 3.600 2.621 2.231 3.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 44 ALA HA 1 50 LYS QG . . 5.500 4.428 3.882 5.630 0.130 14 0 "[ . 1 . 2 . 3 .]" 1
579 1 44 ALA MB 1 45 HIS H . . 4.100 2.763 2.147 3.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 44 ALA MB 1 45 HIS HB2 . . 6.500 4.317 3.606 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 44 ALA MB 1 45 HIS HB3 . . 6.500 5.071 4.802 5.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 44 ALA MB 1 48 ALA MB . . 7.500 3.787 3.261 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
583 1 44 ALA MB 1 50 LYS H . . 6.500 4.680 3.986 5.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 45 HIS H 1 45 HIS HB2 . . 3.700 2.458 2.109 2.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 45 HIS H 1 45 HIS HB3 . . 4.000 3.631 3.362 3.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 1 45 HIS H 1 46 LYS H . . 3.400 2.411 1.994 3.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 1 45 HIS H 1 48 ALA MB . . 6.500 4.901 4.557 5.315 . 0 0 "[ . 1 . 2 . 3 .]" 1
588 1 45 HIS HA 1 46 LYS H . . 4.300 3.360 2.804 3.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 45 HIS HA 1 50 LYS H . . 4.900 4.826 3.691 5.032 0.132 33 0 "[ . 1 . 2 . 3 .]" 1
590 1 45 HIS HA 1 50 LYS QB . . 4.600 3.770 2.750 4.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 45 HIS HA 1 50 LYS QG . . 5.500 2.516 2.064 3.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 45 HIS HB2 1 46 LYS H . . 4.600 3.477 2.481 4.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 45 HIS HB3 1 46 LYS H . . 5.200 4.198 3.635 4.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 46 LYS H 1 46 LYS HB2 . . 3.900 2.544 2.257 2.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
595 1 46 LYS H 1 46 LYS HB3 . . 4.000 3.089 2.309 3.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 46 LYS H 1 46 LYS HG2 . . 5.500 4.242 3.224 4.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
597 1 46 LYS H 1 46 LYS HG3 . . 4.000 3.909 2.596 4.755 0.755 25 12 "[ *- ** .* *2 * + **3 ** .]" 1
598 1 46 LYS H 1 47 ASP H . . 4.400 2.616 2.246 3.375 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 46 LYS H 1 48 ALA H . . 4.600 4.192 3.706 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
600 1 46 LYS H 1 48 ALA MB . . 5.800 4.601 4.297 4.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 1 46 LYS H 1 50 LYS H . . 5.500 5.336 4.355 5.621 0.121 24 0 "[ . 1 . 2 . 3 .]" 1
602 1 46 LYS H 1 50 LYS QB . . 5.500 4.337 3.535 5.547 0.047 27 0 "[ . 1 . 2 . 3 .]" 1
603 1 46 LYS HA 1 46 LYS HG2 . . 3.000 2.680 2.266 3.729 0.729 2 1 "[ + . 1 . 2 . 3 .]" 1
604 1 46 LYS HA 1 46 LYS HG3 . . 3.700 2.814 2.308 3.726 0.026 18 0 "[ . 1 . 2 . 3 .]" 1
605 1 46 LYS HA 1 47 ASP H . . 4.500 3.543 3.434 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
606 1 46 LYS HA 1 47 ASP HA . . 4.700 4.626 4.399 4.712 0.012 4 0 "[ . 1 . 2 . 3 .]" 1
607 1 46 LYS HB2 1 47 ASP H . . 3.400 2.854 2.006 3.498 0.098 17 0 "[ . 1 . 2 . 3 .]" 1
608 1 46 LYS HB3 1 46 LYS HG2 . . 2.900 2.569 2.206 3.050 0.150 19 0 "[ . 1 . 2 . 3 .]" 1
609 1 46 LYS HB3 1 47 ASP H . . 3.000 2.412 1.964 3.184 0.184 6 0 "[ . 1 . 2 . 3 .]" 1
610 1 46 LYS HB3 1 48 ALA H . . 5.500 4.197 3.420 5.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 1 46 LYS HD3 1 47 ASP H . . 5.100 4.309 2.985 5.850 0.750 2 1 "[ + . 1 . 2 . 3 .]" 1
612 1 46 LYS HG2 1 47 ASP H . . 3.900 4.018 2.359 4.868 0.968 23 17 "[* * .****1 * . -*** +*. * ** *.]" 1
613 1 47 ASP H 1 47 ASP HB2 . . 3.500 2.998 2.284 3.523 0.023 5 0 "[ . 1 . 2 . 3 .]" 1
614 1 47 ASP H 1 47 ASP HB3 . . 3.100 3.000 2.490 3.593 0.493 26 0 "[ . 1 . 2 . 3 .]" 1
615 1 47 ASP H 1 48 ALA H . . 3.100 2.239 1.976 2.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
616 1 47 ASP H 1 48 ALA MB . . 6.300 3.802 3.611 4.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 47 ASP HA 1 48 ALA H . . 4.700 3.600 3.524 3.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
618 1 47 ASP HA 1 51 THR HB . . 3.800 3.027 2.224 3.823 0.023 4 0 "[ . 1 . 2 . 3 .]" 1
619 1 47 ASP HA 1 51 THR MG . . 6.000 4.026 3.303 4.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 47 ASP HB2 1 48 ALA H . . 5.100 3.533 2.717 3.968 . 0 0 "[ . 1 . 2 . 3 .]" 1
621 1 47 ASP HB3 1 48 ALA H . . 4.300 2.780 2.137 4.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 48 ALA H 1 48 ALA MB . . 3.300 2.231 2.173 2.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 48 ALA HA 1 52 CYS H . . 5.500 5.295 4.719 5.538 0.038 22 0 "[ . 1 . 2 . 3 .]" 1
624 1 48 ALA MB 1 50 LYS H . . 6.300 4.302 4.135 4.724 . 0 0 "[ . 1 . 2 . 3 .]" 1
625 1 49 CYS QB 1 51 THR H . . 4.700 4.932 4.576 5.036 0.336 29 0 "[ . 1 . 2 . 3 .]" 1
626 1 50 LYS H 1 50 LYS QB . . 3.300 2.288 2.140 2.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
627 1 50 LYS H 1 50 LYS HE2 . . 5.500 4.893 4.240 5.557 0.057 22 0 "[ . 1 . 2 . 3 .]" 1
628 1 50 LYS H 1 50 LYS HE3 . . 5.500 5.000 4.022 5.559 0.059 33 0 "[ . 1 . 2 . 3 .]" 1
629 1 50 LYS H 1 50 LYS QG . . 2.900 2.507 1.954 3.000 0.100 35 0 "[ . 1 . 2 . 3 .]" 1
630 1 50 LYS H 1 51 THR H . . 4.000 3.190 2.968 3.379 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 1 50 LYS HA 1 51 THR H . . 4.200 3.633 3.533 3.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 50 LYS QB 1 50 LYS HE2 . . 3.400 2.649 2.144 3.508 0.108 25 0 "[ . 1 . 2 . 3 .]" 1
633 1 50 LYS QB 1 50 LYS HE3 . . 3.300 2.949 2.023 3.681 0.381 20 0 "[ . 1 . 2 . 3 .]" 1
634 1 50 LYS QB 1 51 THR H . . 3.700 2.662 2.184 3.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 51 THR H 1 51 THR HB . . 3.300 2.439 2.337 2.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 51 THR H 1 52 CYS H . . 3.900 2.834 2.507 3.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 51 THR HA 1 52 CYS H . . 4.700 3.557 3.448 3.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 51 THR HA 1 54 LYS H . . 5.100 3.386 2.788 4.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
639 1 51 THR HA 1 54 LYS QD . . 5.500 3.066 2.207 3.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 51 THR HA 1 54 LYS HG3 . . 5.500 2.758 2.049 5.182 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 51 THR HB 1 52 CYS H . . 3.800 3.071 2.627 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 51 THR MG 1 52 CYS H . . 6.000 3.566 3.219 3.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 51 THR MG 1 54 LYS QD . . 5.500 3.786 3.074 4.486 . 0 0 "[ . 1 . 2 . 3 .]" 1
644 1 52 CYS H 1 52 CYS HB2 . . 3.300 2.557 1.990 2.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 52 CYS H 1 52 CYS HB3 . . 4.100 2.673 2.453 3.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 54 LYS H 1 54 LYS HB2 . . 3.200 2.549 2.385 2.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 54 LYS H 1 54 LYS HB3 . . 3.600 3.623 3.556 3.743 0.143 28 0 "[ . 1 . 2 . 3 .]" 1
648 1 54 LYS H 1 54 LYS QD . . 5.500 4.131 2.351 4.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 54 LYS H 1 54 LYS HG2 . . 5.500 3.448 2.992 4.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 54 LYS H 1 54 LYS HG3 . . 3.900 2.717 2.180 4.015 0.115 31 0 "[ . 1 . 2 . 3 .]" 1
651 1 54 LYS H 1 55 SER H . . 4.100 2.549 1.972 2.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
652 1 54 LYS H 1 55 SER QB . . 4.900 4.351 3.378 5.051 0.151 10 0 "[ . 1 . 2 . 3 .]" 1
653 1 54 LYS H 1 56 ASN H . . 4.800 4.218 2.672 4.916 0.116 24 0 "[ . 1 . 2 . 3 .]" 1
654 1 54 LYS HA 1 54 LYS QD . . 2.800 3.444 3.343 3.554 0.754 25 35 [***********************-+**********] 1
655 1 54 LYS HA 1 54 LYS HG2 . . 3.100 2.246 2.113 3.227 0.127 23 0 "[ . 1 . 2 . 3 .]" 1
656 1 54 LYS HA 1 54 LYS HG3 . . 3.200 3.105 2.116 3.276 0.076 24 0 "[ . 1 . 2 . 3 .]" 1
657 1 54 LYS HB2 1 54 LYS QD . . 2.600 2.438 2.069 2.613 0.013 27 0 "[ . 1 . 2 . 3 .]" 1
658 1 54 LYS HB2 1 54 LYS HG3 . . 2.400 2.423 2.328 2.983 0.583 23 1 "[ . 1 . 2 + . 3 .]" 1
659 1 54 LYS HB2 1 55 SER H . . 4.000 2.697 2.200 3.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
660 1 54 LYS HB2 1 56 ASN H . . 5.000 4.851 2.929 5.072 0.072 13 0 "[ . 1 . 2 . 3 .]" 1
661 1 54 LYS HB3 1 54 LYS HG3 . . 2.500 2.980 2.714 3.023 0.523 11 10 "[ . *+ . * ** * *-* *]" 1
662 1 54 LYS HB3 1 55 SER H . . 5.500 3.595 2.920 4.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 54 LYS HG3 1 55 SER H . . 5.500 4.477 4.025 5.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 55 SER H 1 55 SER QB . . 3.700 2.377 2.179 3.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 55 SER H 1 56 ASN QB . . 6.200 4.972 3.838 5.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 55 SER H 1 56 ASN QD . . 5.500 4.940 3.097 5.751 0.251 14 0 "[ . 1 . 2 . 3 .]" 1
667 1 55 SER QB 1 56 ASN H . . 4.000 3.327 2.332 4.047 0.047 21 0 "[ . 1 . 2 . 3 .]" 1
668 1 55 SER QB 1 56 ASN QD . . 5.500 4.065 2.603 5.763 0.263 15 0 "[ . 1 . 2 . 3 .]" 1
669 1 56 ASN H 1 56 ASN QD . . 5.500 3.516 2.183 4.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 56 ASN H 1 57 ASN H . . 4.200 3.629 2.063 4.339 0.139 13 0 "[ . 1 . 2 . 3 .]" 1
671 1 56 ASN H 1 58 GLY H . . 5.500 4.704 3.008 5.550 0.050 22 0 "[ . 1 . 2 . 3 .]" 1
672 1 56 ASN HA 1 57 ASN H . . 5.500 2.687 2.183 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 56 ASN QB 1 57 ASN H . . 4.400 2.973 1.996 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 56 ASN QB 1 58 GLY H . . 6.500 4.398 2.923 5.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 56 ASN QD 1 57 ASN H . . 5.500 4.211 2.053 5.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 56 ASN QD 1 57 ASN QD . . 4.700 4.754 3.374 5.167 0.467 20 0 "[ . 1 . 2 . 3 .]" 1
677 1 57 ASN H 1 57 ASN HB2 . . 4.200 3.220 2.256 4.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 57 ASN H 1 57 ASN HB3 . . 3.800 3.594 2.444 4.203 0.403 28 0 "[ . 1 . 2 . 3 .]" 1
679 1 57 ASN H 1 57 ASN QD . . 5.500 3.126 1.874 4.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 57 ASN H 1 58 GLY H . . 4.200 3.252 2.091 4.355 0.155 33 0 "[ . 1 . 2 . 3 .]" 1
681 1 57 ASN HA 1 58 GLY H . . 4.600 2.852 2.132 3.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 57 ASN HB2 1 58 GLY H . . 5.500 3.890 2.058 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
683 1 57 ASN HB3 1 57 ASN QD . . 3.300 3.056 2.252 3.398 0.098 21 0 "[ . 1 . 2 . 3 .]" 1
684 1 57 ASN HB3 1 58 GLY H . . 5.500 4.141 3.348 4.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 59 PRO HA 1 60 THR H . . 5.500 2.797 2.089 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 59 PRO HA 1 61 LYS H . . 5.500 4.238 3.185 5.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
687 1 59 PRO HB2 1 60 THR H . . 4.700 3.764 2.809 4.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 1 59 PRO HB2 1 64 GLY H . . 3.900 4.125 3.551 4.602 0.702 21 5 "[- * . 1 . 2+ . 3 * *]" 1
689 1 59 PRO HB2 1 64 GLY HA2 . . 4.200 3.443 2.507 4.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
690 1 59 PRO HB2 1 64 GLY HA3 . . 3.500 2.386 2.095 3.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
691 1 59 PRO HB2 1 65 CYS H . . 5.500 4.736 3.493 5.965 0.465 24 0 "[ . 1 . 2 . 3 .]" 1
692 1 59 PRO HB3 1 64 GLY HA2 . . 4.600 3.963 3.011 4.910 0.310 20 0 "[ . 1 . 2 . 3 .]" 1
693 1 60 THR H 1 61 LYS H . . 4.100 3.260 1.984 3.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 60 THR HA 1 61 LYS H . . 4.200 2.949 2.304 3.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 60 THR HB 1 61 LYS H . . 5.500 4.073 2.362 4.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 61 LYS H 1 61 LYS HB2 . . 4.100 3.131 2.222 4.042 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 61 LYS H 1 61 LYS HB3 . . 3.300 3.132 2.330 3.897 0.597 4 1 "[ +. 1 . 2 . 3 .]" 1
698 1 61 LYS H 1 62 CYS H . . 5.500 4.247 2.157 4.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 61 LYS H 1 64 GLY H . . 5.000 4.006 3.251 4.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 61 LYS HA 1 62 CYS H . . 3.300 2.330 2.099 2.874 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 61 LYS HA 1 62 CYS HB2 . . 5.200 5.001 4.642 5.210 0.010 21 0 "[ . 1 . 2 . 3 .]" 1
702 1 61 LYS HB2 1 62 CYS H . . 3.900 3.851 2.681 4.359 0.459 12 0 "[ . 1 . 2 . 3 .]" 1
703 1 61 LYS HB2 1 63 GLY H . . 5.500 4.464 3.138 5.520 0.020 35 0 "[ . 1 . 2 . 3 .]" 1
704 1 61 LYS HB2 1 64 GLY H . . 5.500 4.238 2.930 5.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
705 1 61 LYS HB3 1 62 CYS H . . 4.300 3.785 2.599 4.307 0.007 7 0 "[ . 1 . 2 . 3 .]" 1
706 1 61 LYS HB3 1 63 GLY H . . 5.500 4.096 2.727 5.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
707 1 61 LYS QG 1 62 CYS H . . 6.400 3.317 2.312 4.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
708 1 62 CYS H 1 62 CYS HB2 . . 3.900 2.888 2.691 3.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
709 1 62 CYS H 1 62 CYS HB3 . . 4.400 3.625 3.529 4.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 62 CYS H 1 63 GLY H . . 5.400 3.088 2.806 3.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
711 1 62 CYS H 1 64 GLY H . . 5.300 4.161 3.726 4.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
712 1 62 CYS HA 1 62 CYS HB3 . . 2.600 2.377 2.315 2.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 62 CYS HA 1 63 GLY H . . 3.900 3.558 3.518 3.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 62 CYS HA 1 63 GLY HA2 . . 5.000 4.878 4.743 5.006 0.006 20 0 "[ . 1 . 2 . 3 .]" 1
715 1 62 CYS HA 1 63 GLY HA3 . . 5.100 5.380 5.344 5.408 0.308 27 0 "[ . 1 . 2 . 3 .]" 1
716 1 62 CYS HB2 1 63 GLY H . . 5.500 2.248 2.110 2.521 . 0 0 "[ . 1 . 2 . 3 .]" 1
717 1 62 CYS HB2 1 64 GLY H . . 5.500 4.702 4.506 5.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 62 CYS HB2 1 65 CYS H . . 5.500 5.484 5.373 5.575 0.075 13 0 "[ . 1 . 2 . 3 .]" 1
719 1 62 CYS HB3 1 63 GLY H . . 5.000 3.536 3.383 3.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 62 CYS HB3 1 63 GLY HA3 . . 5.500 5.307 5.027 5.517 0.017 5 0 "[ . 1 . 2 . 3 .]" 1
721 1 63 GLY H 1 64 GLY H . . 4.300 2.933 2.763 3.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 63 GLY HA2 1 64 GLY H . . 4.800 3.443 3.009 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 63 GLY HA2 1 65 CYS H . . 5.500 3.763 3.348 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 63 GLY HA3 1 64 GLY H . . 4.200 3.207 2.785 3.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
725 1 63 GLY HA3 1 65 CYS H . . 5.500 4.559 4.364 4.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 64 GLY H 1 64 GLY HA3 . . 3.100 2.300 2.216 2.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 64 GLY H 1 65 CYS H . . 3.200 2.426 1.971 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
728 1 64 GLY HA3 1 65 CYS H . . 4.300 3.073 2.929 3.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
729 1 67 ILE H 1 67 ILE HB . . 3.300 2.600 2.415 2.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 67 ILE H 1 67 ILE HG12 . . 4.000 2.319 1.995 3.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
731 1 67 ILE H 1 67 ILE HG13 . . 3.500 3.285 2.004 3.729 0.229 13 0 "[ . 1 . 2 . 3 .]" 1
732 1 67 ILE H 1 68 LYS H . . 4.900 4.646 4.305 4.778 . 0 0 "[ . 1 . 2 . 3 .]" 1
733 1 67 ILE HA 1 67 ILE MD . . 4.600 2.512 2.151 3.877 . 0 0 "[ . 1 . 2 . 3 .]" 1
734 1 67 ILE HA 1 67 ILE HG12 . . 3.900 3.058 2.410 3.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 67 ILE HA 1 67 ILE HG13 . . 4.000 3.659 2.827 3.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 67 ILE HA 1 68 LYS H . . 2.900 2.252 2.146 2.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
737 1 67 ILE HB 1 68 LYS H . . 4.900 4.134 3.326 4.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 67 ILE HB 1 68 LYS HA . . 5.000 4.932 4.763 5.077 0.077 2 0 "[ . 1 . 2 . 3 .]" 1
739 1 67 ILE MD 1 68 LYS H . . 6.500 4.023 3.418 5.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
740 1 67 ILE QG 1 68 LYS H . . 5.700 4.580 4.018 4.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 68 LYS H 1 68 LYS QB . . 3.600 2.834 2.030 3.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 68 LYS H 1 68 LYS QG . . 3.500 3.309 2.177 3.993 0.493 31 0 "[ . 1 . 2 . 3 .]" 1
743 1 68 LYS HA 1 68 LYS QG . . 3.200 2.812 2.106 3.393 0.193 22 0 "[ . 1 . 2 . 3 .]" 1
744 1 68 LYS QB 1 68 LYS QG . . 2.500 2.061 1.958 2.129 . 0 0 "[ . 1 . 2 . 3 .]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 7:41:20 PM GMT (wattos1)