NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
584957 |
2mhv   |
19657 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhv
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 712
_Distance_constraint_stats_list.Viol_count 1246
_Distance_constraint_stats_list.Viol_total 1787.306
_Distance_constraint_stats_list.Viol_max 0.971
_Distance_constraint_stats_list.Viol_rms 0.0396
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0717
_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 0.009 0.003 3 0 "[ . 1 . 2]"
1 2 LYS 1.505 0.429 3 0 "[ . 1 . 2]"
1 3 TYR 2.018 0.429 3 0 "[ . 1 . 2]"
1 4 THR 2.635 0.163 7 0 "[ . 1 . 2]"
1 5 GLY 3.066 0.163 7 0 "[ . 1 . 2]"
1 6 LYS 1.763 0.387 14 0 "[ . 1 . 2]"
1 7 CYS 3.123 0.199 5 0 "[ . 1 . 2]"
1 8 THR 3.523 0.285 19 0 "[ . 1 . 2]"
1 9 LYS 3.321 0.285 19 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 2.066 0.225 4 0 "[ . 1 . 2]"
1 12 ASN 7.454 0.358 10 0 "[ . 1 . 2]"
1 13 GLU 5.156 0.428 3 0 "[ . 1 . 2]"
1 14 CYS 3.410 0.129 13 0 "[ . 1 . 2]"
1 15 LYS 0.266 0.093 5 0 "[ . 1 . 2]"
1 16 TYR 0.285 0.069 8 0 "[ . 1 . 2]"
1 17 LYS 1.073 0.077 13 0 "[ . 1 . 2]"
1 18 ASN 3.587 0.797 1 2 "[+ . - . 2]"
1 19 ASP 0.282 0.036 20 0 "[ . 1 . 2]"
1 20 ALA 1.824 0.420 16 0 "[ . 1 . 2]"
1 21 GLY 0.919 0.100 8 0 "[ . 1 . 2]"
1 22 LYS 2.441 0.797 1 2 "[+ . - . 2]"
1 23 ASP 0.215 0.045 5 0 "[ . 1 . 2]"
1 24 THR 0.308 0.093 5 0 "[ . 1 . 2]"
1 25 PHE 0.859 0.095 12 0 "[ . 1 . 2]"
1 26 ILE 8.049 0.474 20 0 "[ . 1 . 2]"
1 27 LYS 7.503 0.474 20 0 "[ . 1 . 2]"
1 28 CYS 2.508 0.358 10 0 "[ . 1 . 2]"
1 30 LYS 5.259 0.204 10 0 "[ . 1 . 2]"
1 31 PHE 1.764 0.781 18 2 "[ .- 1 . + 2]"
1 32 ASP 0.245 0.123 13 0 "[ . 1 . 2]"
1 33 ASN 5.728 0.971 17 5 "[ ** 1 .-+* 2]"
1 34 LYS 8.474 0.971 17 3 "[ * 1 .-+ 2]"
1 35 LYS 6.381 0.246 12 0 "[ . 1 . 2]"
1 36 CYS 2.859 0.291 15 0 "[ . 1 . 2]"
1 37 THR 4.304 0.443 2 0 "[ . 1 . 2]"
1 38 LYS 2.786 0.791 15 1 "[ . 1 + 2]"
1 39 ASP 1.563 0.077 15 0 "[ . 1 . 2]"
1 40 ASN 1.840 0.072 15 0 "[ . 1 . 2]"
1 41 ASN 4.264 0.791 15 2 "[ . *1 + 2]"
1 42 LYS 4.854 0.841 17 3 "[ . - 1 * + 2]"
1 43 CYS 0.825 0.101 12 0 "[ . 1 . 2]"
1 44 THR 2.628 0.156 14 0 "[ . 1 . 2]"
1 45 VAL 1.301 0.069 17 0 "[ . 1 . 2]"
1 46 ASP 6.507 0.637 12 4 "[ . -1 +* * 2]"
1 47 THR 1.351 0.076 6 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASN 1.365 0.479 6 0 "[ . 1 . 2]"
1 50 ASN 0.537 0.053 17 0 "[ . 1 . 2]"
1 51 ALA 7.056 0.637 12 4 "[ . -1 +* * 2]"
1 52 VAL 2.149 0.332 6 0 "[ . 1 . 2]"
1 53 ASP 0.882 0.081 18 0 "[ . 1 . 2]"
1 54 CYS 1.891 0.507 17 1 "[ . 1 . + 2]"
1 55 ASP 6.347 0.841 17 4 "[ . **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 ALA HA 1 2 LYS H . . 3.500 3.167 2.256 3.488 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 47 THR HG1 . . 3.680 3.332 2.300 3.683 0.003 15 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 47 THR HG1 . . 4.120 3.401 1.980 4.123 0.003 3 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS HG2 . . 4.330 3.486 1.947 4.723 0.393 7 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS HG3 . . 5.500 3.447 2.612 4.347 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS HA 1 2 LYS QE . . 4.660 4.122 3.561 4.513 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS HA 1 3 TYR H . . 2.730 2.214 2.140 2.370 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS HA 1 3 TYR QD . . 4.530 4.219 3.333 4.535 0.005 3 0 "[ . 1 . 2]" 1
9 1 2 LYS HB2 1 3 TYR H . . 4.510 3.858 2.515 4.549 0.039 11 0 "[ . 1 . 2]" 1
10 1 2 LYS HB3 1 3 TYR H . . 5.500 3.520 2.509 4.261 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS QE 1 2 LYS HG2 . . 3.720 2.554 1.995 3.395 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS HG2 1 3 TYR H . . 4.810 4.198 3.367 5.239 0.429 3 0 "[ . 1 . 2]" 1
13 1 2 LYS HG3 1 3 TYR H . . 5.500 4.674 3.674 5.362 . 0 0 "[ . 1 . 2]" 1
14 1 3 TYR H 1 3 TYR HB2 . . 3.730 2.596 2.475 2.760 . 0 0 "[ . 1 . 2]" 1
15 1 3 TYR H 1 3 TYR HB3 . . 3.960 3.746 3.680 3.829 . 0 0 "[ . 1 . 2]" 1
16 1 3 TYR H 1 3 TYR QD . . 3.980 3.311 2.454 3.847 . 0 0 "[ . 1 . 2]" 1
17 1 3 TYR H 1 3 TYR QE . . 5.500 5.066 4.394 5.480 . 0 0 "[ . 1 . 2]" 1
18 1 3 TYR H 1 44 THR HB . . 5.500 5.499 5.332 5.522 0.022 15 0 "[ . 1 . 2]" 1
19 1 3 TYR H 1 45 VAL H . . 3.760 3.018 2.558 3.413 . 0 0 "[ . 1 . 2]" 1
20 1 3 TYR H 1 45 VAL HA . . 5.500 5.088 4.524 5.511 0.011 13 0 "[ . 1 . 2]" 1
21 1 3 TYR H 1 45 VAL HB . . 4.660 3.828 2.814 4.518 . 0 0 "[ . 1 . 2]" 1
22 1 3 TYR H 1 45 VAL MG1 . . 5.020 4.589 3.950 5.030 0.010 1 0 "[ . 1 . 2]" 1
23 1 3 TYR H 1 46 ASP HA . . 4.030 3.964 3.735 4.067 0.037 6 0 "[ . 1 . 2]" 1
24 1 3 TYR H 1 47 THR H . . 5.440 5.387 5.194 5.474 0.034 3 0 "[ . 1 . 2]" 1
25 1 3 TYR HA 1 3 TYR QD . . 3.540 2.478 2.053 3.044 . 0 0 "[ . 1 . 2]" 1
26 1 3 TYR HA 1 4 THR H . . 2.790 2.167 2.165 2.168 . 0 0 "[ . 1 . 2]" 1
27 1 3 TYR HA 1 17 LYS H . . 5.320 5.368 5.337 5.397 0.077 13 0 "[ . 1 . 2]" 1
28 1 3 TYR HB2 1 4 THR H . . 4.330 4.163 4.013 4.228 . 0 0 "[ . 1 . 2]" 1
29 1 3 TYR HB2 1 16 TYR QD . . 4.500 3.547 2.961 4.490 . 0 0 "[ . 1 . 2]" 1
30 1 3 TYR HB2 1 45 VAL H . . 4.600 3.742 3.511 3.927 . 0 0 "[ . 1 . 2]" 1
31 1 3 TYR HB2 1 45 VAL HB . . 3.520 2.626 1.994 3.066 . 0 0 "[ . 1 . 2]" 1
32 1 3 TYR HB2 1 45 VAL MG2 . . 4.360 3.929 2.936 4.369 0.009 1 0 "[ . 1 . 2]" 1
33 1 3 TYR HB3 1 4 THR H . . 3.650 3.178 3.168 3.188 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR HB3 1 16 TYR QD . . 4.180 2.808 2.002 4.039 . 0 0 "[ . 1 . 2]" 1
35 1 3 TYR HB3 1 17 LYS H . . 5.140 3.788 3.519 4.168 . 0 0 "[ . 1 . 2]" 1
36 1 3 TYR HB3 1 45 VAL H . . 5.400 5.043 4.879 5.155 . 0 0 "[ . 1 . 2]" 1
37 1 3 TYR HB3 1 45 VAL HB . . 4.250 4.052 3.627 4.268 0.018 3 0 "[ . 1 . 2]" 1
38 1 3 TYR HB3 1 45 VAL MG2 . . 5.390 4.782 4.163 5.302 . 0 0 "[ . 1 . 2]" 1
39 1 3 TYR QD 1 4 THR H . . 4.620 3.809 3.546 4.411 . 0 0 "[ . 1 . 2]" 1
40 1 3 TYR QD 1 45 VAL H . . 5.500 4.927 3.926 5.301 . 0 0 "[ . 1 . 2]" 1
41 1 3 TYR QD 1 45 VAL HB . . 4.110 3.438 1.997 4.107 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR QD 1 45 VAL MG1 . . 4.410 3.260 2.271 4.028 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR QD 1 47 THR H . . 5.230 4.313 3.745 5.098 . 0 0 "[ . 1 . 2]" 1
44 1 3 TYR QE 1 18 ASN HA . . 3.820 3.364 2.730 3.818 . 0 0 "[ . 1 . 2]" 1
45 1 3 TYR QE 1 19 ASP H . . 4.820 3.574 2.319 4.280 . 0 0 "[ . 1 . 2]" 1
46 1 3 TYR QE 1 19 ASP HA . . 4.520 3.442 2.824 4.144 . 0 0 "[ . 1 . 2]" 1
47 1 3 TYR QE 1 47 THR H . . 5.420 4.185 3.207 5.192 . 0 0 "[ . 1 . 2]" 1
48 1 3 TYR QE 1 47 THR MG . . 4.200 3.227 2.413 4.202 0.002 3 0 "[ . 1 . 2]" 1
49 1 4 THR H 1 4 THR HB . . 3.200 3.018 2.861 3.207 0.007 14 0 "[ . 1 . 2]" 1
50 1 4 THR H 1 4 THR MG . . 4.650 3.103 1.899 3.832 . 0 0 "[ . 1 . 2]" 1
51 1 4 THR H 1 5 GLY H . . 4.870 4.430 4.378 4.478 . 0 0 "[ . 1 . 2]" 1
52 1 4 THR H 1 16 TYR HB2 . . 5.500 4.163 3.699 4.699 . 0 0 "[ . 1 . 2]" 1
53 1 4 THR H 1 16 TYR HB3 . . 5.500 5.061 4.708 5.523 0.023 5 0 "[ . 1 . 2]" 1
54 1 4 THR H 1 44 THR MG . . 5.500 5.479 5.236 5.564 0.064 4 0 "[ . 1 . 2]" 1
55 1 4 THR HA 1 4 THR MG . . 3.430 2.488 1.960 3.206 . 0 0 "[ . 1 . 2]" 1
56 1 4 THR HA 1 5 GLY H . . 2.690 2.153 2.145 2.163 . 0 0 "[ . 1 . 2]" 1
57 1 4 THR HA 1 43 CYS H . . 5.060 4.548 4.363 5.073 0.013 14 0 "[ . 1 . 2]" 1
58 1 4 THR HA 1 44 THR MG . . 3.820 3.603 3.259 3.850 0.030 18 0 "[ . 1 . 2]" 1
59 1 4 THR HA 1 45 VAL H . . 4.450 4.469 4.408 4.507 0.057 8 0 "[ . 1 . 2]" 1
60 1 4 THR HB 1 5 GLY H . . 4.020 3.959 3.699 4.183 0.163 7 0 "[ . 1 . 2]" 1
61 1 4 THR MG 1 5 GLY H . . 3.900 3.288 2.618 4.021 0.121 3 0 "[ . 1 . 2]" 1
62 1 5 GLY H 1 6 LYS H . . 4.720 4.450 4.442 4.468 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLY H 1 16 TYR HA . . 5.500 5.033 4.782 5.195 . 0 0 "[ . 1 . 2]" 1
64 1 5 GLY H 1 16 TYR HB3 . . 5.190 3.795 3.512 4.214 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLY H 1 42 LYS HA . . 5.060 4.591 4.406 4.941 . 0 0 "[ . 1 . 2]" 1
66 1 5 GLY H 1 42 LYS QG . . 5.500 3.707 3.450 4.663 . 0 0 "[ . 1 . 2]" 1
67 1 5 GLY H 1 43 CYS H . . 3.540 2.971 2.789 3.425 . 0 0 "[ . 1 . 2]" 1
68 1 5 GLY H 1 43 CYS HA . . 5.500 5.112 4.997 5.371 . 0 0 "[ . 1 . 2]" 1
69 1 5 GLY H 1 44 THR H . . 5.120 5.175 5.080 5.276 0.156 14 0 "[ . 1 . 2]" 1
70 1 5 GLY H 1 44 THR HA . . 4.190 3.923 3.654 4.063 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLY H 1 44 THR MG . . 5.110 4.563 4.208 4.880 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLY H 1 45 VAL H . . 5.300 5.216 4.899 5.351 0.051 20 0 "[ . 1 . 2]" 1
73 1 5 GLY H 1 45 VAL MG2 . . 5.500 4.672 4.476 4.908 . 0 0 "[ . 1 . 2]" 1
74 1 5 GLY HA2 1 6 LYS H . . 3.410 2.352 2.327 2.366 . 0 0 "[ . 1 . 2]" 1
75 1 5 GLY HA2 1 16 TYR H . . 5.500 5.043 4.805 5.333 . 0 0 "[ . 1 . 2]" 1
76 1 5 GLY HA2 1 16 TYR HA . . 3.200 2.939 2.620 3.252 0.052 5 0 "[ . 1 . 2]" 1
77 1 5 GLY HA2 1 16 TYR HB3 . . 5.310 3.256 2.930 3.828 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLY HA3 1 6 LYS H . . 3.010 2.797 2.780 2.829 . 0 0 "[ . 1 . 2]" 1
79 1 5 GLY HA3 1 15 LYS H . . 5.100 3.456 3.301 3.838 . 0 0 "[ . 1 . 2]" 1
80 1 5 GLY HA3 1 16 TYR H . . 5.490 4.317 4.089 4.546 . 0 0 "[ . 1 . 2]" 1
81 1 5 GLY HA3 1 16 TYR HA . . 3.500 3.128 2.858 3.296 . 0 0 "[ . 1 . 2]" 1
82 1 5 GLY HA3 1 16 TYR HB2 . . 4.270 3.586 3.194 4.155 . 0 0 "[ . 1 . 2]" 1
83 1 5 GLY HA3 1 16 TYR HB3 . . 3.770 2.176 1.990 2.710 . 0 0 "[ . 1 . 2]" 1
84 1 6 LYS H 1 7 CYS H . . 4.730 4.479 4.449 4.499 . 0 0 "[ . 1 . 2]" 1
85 1 6 LYS H 1 15 LYS H . . 3.900 2.801 2.641 3.095 . 0 0 "[ . 1 . 2]" 1
86 1 6 LYS H 1 42 LYS QG . . 5.300 5.186 5.142 5.281 . 0 0 "[ . 1 . 2]" 1
87 1 6 LYS HA 1 6 LYS QG . . 3.230 2.444 2.312 2.561 . 0 0 "[ . 1 . 2]" 1
88 1 6 LYS HA 1 7 CYS H . . 2.650 2.234 2.190 2.255 . 0 0 "[ . 1 . 2]" 1
89 1 6 LYS HA 1 7 CYS HA . . 4.430 4.412 4.404 4.421 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS HA 1 41 ASN H . . 5.420 4.970 4.779 5.307 . 0 0 "[ . 1 . 2]" 1
91 1 6 LYS HA 1 42 LYS H . . 5.380 4.397 4.242 4.608 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS HA 1 42 LYS HA . . 3.080 2.193 2.126 2.364 . 0 0 "[ . 1 . 2]" 1
93 1 6 LYS HA 1 42 LYS QD . . 3.050 3.104 3.065 3.437 0.387 14 0 "[ . 1 . 2]" 1
94 1 6 LYS HA 1 43 CYS H . . 3.530 3.354 2.888 3.501 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS QB 1 7 CYS H . . 3.880 2.833 2.773 2.979 . 0 0 "[ . 1 . 2]" 1
96 1 6 LYS QB 1 40 ASN H . . 4.500 4.380 4.154 4.556 0.056 14 0 "[ . 1 . 2]" 1
97 1 6 LYS QB 1 40 ASN HA . . 2.860 2.775 2.681 2.889 0.029 14 0 "[ . 1 . 2]" 1
98 1 6 LYS QB 1 41 ASN H . . 4.610 3.976 3.785 4.233 . 0 0 "[ . 1 . 2]" 1
99 1 6 LYS QE 1 40 ASN HA . . 5.020 4.088 3.404 5.092 0.072 15 0 "[ . 1 . 2]" 1
100 1 6 LYS QG 1 42 LYS HA . . 3.320 3.003 2.639 3.177 . 0 0 "[ . 1 . 2]" 1
101 1 6 LYS HG2 1 7 CYS H . . 5.170 4.611 4.068 4.815 . 0 0 "[ . 1 . 2]" 1
102 1 6 LYS HG3 1 7 CYS H . . 4.990 4.586 4.349 5.189 0.199 5 0 "[ . 1 . 2]" 1
103 1 7 CYS H 1 7 CYS HB3 . . 3.830 2.904 2.823 3.010 . 0 0 "[ . 1 . 2]" 1
104 1 7 CYS H 1 8 THR H . . 4.840 4.471 4.461 4.481 . 0 0 "[ . 1 . 2]" 1
105 1 7 CYS H 1 40 ASN H . . 5.110 4.755 4.437 4.979 . 0 0 "[ . 1 . 2]" 1
106 1 7 CYS H 1 40 ASN HA . . 4.380 4.344 4.197 4.420 0.040 8 0 "[ . 1 . 2]" 1
107 1 7 CYS H 1 41 ASN H . . 4.050 3.436 3.213 3.919 . 0 0 "[ . 1 . 2]" 1
108 1 7 CYS H 1 42 LYS H . . 5.440 4.220 4.024 4.746 . 0 0 "[ . 1 . 2]" 1
109 1 7 CYS H 1 42 LYS HA . . 3.950 3.536 3.354 3.787 . 0 0 "[ . 1 . 2]" 1
110 1 7 CYS H 1 42 LYS QD . . 5.330 4.619 4.475 5.197 . 0 0 "[ . 1 . 2]" 1
111 1 7 CYS H 1 43 CYS H . . 4.920 4.760 4.250 4.955 0.035 16 0 "[ . 1 . 2]" 1
112 1 7 CYS HA 1 7 CYS HB2 . . 2.910 2.344 2.315 2.385 . 0 0 "[ . 1 . 2]" 1
113 1 7 CYS HA 1 7 CYS HB3 . . 2.920 2.580 2.527 2.622 . 0 0 "[ . 1 . 2]" 1
114 1 7 CYS HA 1 8 THR H . . 2.630 2.403 2.350 2.430 . 0 0 "[ . 1 . 2]" 1
115 1 7 CYS HA 1 8 THR MG . . 4.860 4.579 3.742 4.936 0.076 14 0 "[ . 1 . 2]" 1
116 1 7 CYS HA 1 13 GLU H . . 4.980 4.292 4.078 4.679 . 0 0 "[ . 1 . 2]" 1
117 1 7 CYS HA 1 13 GLU QB . . 5.190 5.061 4.811 5.323 0.133 5 0 "[ . 1 . 2]" 1
118 1 7 CYS HA 1 14 CYS H . . 5.360 4.407 4.302 4.560 . 0 0 "[ . 1 . 2]" 1
119 1 7 CYS HA 1 14 CYS HA . . 2.770 2.002 1.963 2.058 . 0 0 "[ . 1 . 2]" 1
120 1 7 CYS HA 1 14 CYS HB3 . . 4.910 4.945 4.908 4.991 0.081 12 0 "[ . 1 . 2]" 1
121 1 7 CYS HA 1 15 LYS H . . 3.760 3.677 3.370 3.814 0.054 6 0 "[ . 1 . 2]" 1
122 1 7 CYS HB2 1 8 THR H . . 3.390 2.561 2.463 2.651 . 0 0 "[ . 1 . 2]" 1
123 1 7 CYS HB2 1 13 GLU H . . 4.960 3.391 3.173 3.890 . 0 0 "[ . 1 . 2]" 1
124 1 7 CYS HB2 1 14 CYS HA . . 4.050 2.624 2.484 2.786 . 0 0 "[ . 1 . 2]" 1
125 1 7 CYS HB2 1 15 LYS H . . 5.250 4.955 4.662 5.168 . 0 0 "[ . 1 . 2]" 1
126 1 7 CYS HB3 1 8 THR H . . 3.900 3.929 3.858 3.991 0.091 13 0 "[ . 1 . 2]" 1
127 1 7 CYS HB3 1 14 CYS HA . . 3.270 2.261 2.106 2.394 . 0 0 "[ . 1 . 2]" 1
128 1 8 THR H 1 8 THR HB . . 3.600 3.339 2.984 3.483 . 0 0 "[ . 1 . 2]" 1
129 1 8 THR H 1 8 THR MG . . 4.380 3.520 1.994 3.810 . 0 0 "[ . 1 . 2]" 1
130 1 8 THR H 1 9 LYS H . . 4.750 4.514 4.479 4.549 . 0 0 "[ . 1 . 2]" 1
131 1 8 THR H 1 12 ASN H . . 5.500 3.924 3.846 4.360 . 0 0 "[ . 1 . 2]" 1
132 1 8 THR H 1 13 GLU H . . 3.530 2.651 2.455 2.935 . 0 0 "[ . 1 . 2]" 1
133 1 8 THR H 1 14 CYS HA . . 4.250 3.922 3.730 3.995 . 0 0 "[ . 1 . 2]" 1
134 1 8 THR HA 1 8 THR MG . . 3.480 2.108 1.961 3.205 . 0 0 "[ . 1 . 2]" 1
135 1 8 THR HA 1 9 LYS H . . 2.750 2.276 2.225 2.324 . 0 0 "[ . 1 . 2]" 1
136 1 8 THR HA 1 9 LYS HA . . 4.270 4.329 4.326 4.336 0.066 19 0 "[ . 1 . 2]" 1
137 1 8 THR HA 1 10 SER H . . 4.110 3.939 3.843 3.991 . 0 0 "[ . 1 . 2]" 1
138 1 8 THR HA 1 39 ASP H . . 4.720 4.747 4.659 4.797 0.077 15 0 "[ . 1 . 2]" 1
139 1 8 THR HA 1 39 ASP HA . . 2.900 1.957 1.916 1.974 . 0 0 "[ . 1 . 2]" 1
140 1 8 THR HA 1 40 ASN H . . 3.760 2.532 2.270 2.922 . 0 0 "[ . 1 . 2]" 1
141 1 8 THR HB 1 9 LYS H . . 3.610 3.075 2.919 3.817 0.207 19 0 "[ . 1 . 2]" 1
142 1 8 THR HB 1 10 SER H . . 5.500 2.529 2.360 4.244 . 0 0 "[ . 1 . 2]" 1
143 1 8 THR HB 1 13 GLU H . . 4.340 4.246 3.977 4.573 0.233 19 0 "[ . 1 . 2]" 1
144 1 8 THR MG 1 9 LYS H . . 3.360 2.868 2.413 3.645 0.285 19 0 "[ . 1 . 2]" 1
145 1 8 THR MG 1 10 SER H . . 5.380 3.175 2.684 3.484 . 0 0 "[ . 1 . 2]" 1
146 1 8 THR MG 1 11 LYS H . . 5.500 3.566 1.827 4.183 . 0 0 "[ . 1 . 2]" 1
147 1 8 THR MG 1 12 ASN H . . 5.320 4.627 1.933 5.159 . 0 0 "[ . 1 . 2]" 1
148 1 8 THR MG 1 13 GLU H . . 5.170 4.978 2.143 5.223 0.053 14 0 "[ . 1 . 2]" 1
149 1 8 THR MG 1 40 ASN H . . 4.800 2.353 1.932 4.837 0.037 19 0 "[ . 1 . 2]" 1
150 1 9 LYS H 1 9 LYS QB . . 3.140 2.349 2.219 2.451 . 0 0 "[ . 1 . 2]" 1
151 1 9 LYS H 1 9 LYS QD . . 4.680 3.988 3.167 4.434 . 0 0 "[ . 1 . 2]" 1
152 1 9 LYS H 1 10 SER H . . 4.690 2.426 2.318 2.445 . 0 0 "[ . 1 . 2]" 1
153 1 9 LYS H 1 12 ASN H . . 5.500 4.387 4.295 4.448 . 0 0 "[ . 1 . 2]" 1
154 1 9 LYS H 1 38 LYS H . . 5.500 5.055 4.683 5.420 . 0 0 "[ . 1 . 2]" 1
155 1 9 LYS H 1 38 LYS QG . . 5.500 5.499 5.227 5.654 0.154 15 0 "[ . 1 . 2]" 1
156 1 9 LYS H 1 39 ASP H . . 4.140 3.728 3.486 4.024 . 0 0 "[ . 1 . 2]" 1
157 1 9 LYS H 1 39 ASP HA . . 3.520 2.148 1.947 2.482 . 0 0 "[ . 1 . 2]" 1
158 1 9 LYS H 1 39 ASP QB . . 5.120 2.849 2.436 3.663 . 0 0 "[ . 1 . 2]" 1
159 1 9 LYS H 1 40 ASN H . . 4.570 4.147 3.902 4.581 0.011 4 0 "[ . 1 . 2]" 1
160 1 9 LYS HA 1 9 LYS QG . . 3.850 3.016 2.468 3.332 . 0 0 "[ . 1 . 2]" 1
161 1 9 LYS HA 1 12 ASN H . . 4.030 3.548 3.193 3.640 . 0 0 "[ . 1 . 2]" 1
162 1 9 LYS HA 1 12 ASN HA . . 3.980 3.451 2.968 3.574 . 0 0 "[ . 1 . 2]" 1
163 1 9 LYS QB 1 9 LYS QG . . 2.400 2.081 2.062 2.088 . 0 0 "[ . 1 . 2]" 1
164 1 9 LYS QB 1 10 SER H . . 4.660 3.360 2.921 3.636 . 0 0 "[ . 1 . 2]" 1
165 1 9 LYS QB 1 37 THR H . . 4.850 4.308 3.899 4.763 . 0 0 "[ . 1 . 2]" 1
166 1 9 LYS QB 1 38 LYS HA . . 3.940 2.508 2.130 3.033 . 0 0 "[ . 1 . 2]" 1
167 1 9 LYS QB 1 39 ASP H . . 3.870 3.236 2.691 3.795 . 0 0 "[ . 1 . 2]" 1
168 1 9 LYS QD 1 38 LYS HA . . 2.890 2.116 1.975 2.508 . 0 0 "[ . 1 . 2]" 1
169 1 9 LYS QD 1 39 ASP H . . 3.620 3.129 1.993 3.657 0.037 8 0 "[ . 1 . 2]" 1
170 1 9 LYS QE 1 37 THR HA . . 3.840 3.138 2.245 3.929 0.089 2 0 "[ . 1 . 2]" 1
171 1 9 LYS QE 1 37 THR MG . . 4.410 4.426 4.173 4.570 0.160 2 0 "[ . 1 . 2]" 1
172 1 9 LYS QG 1 38 LYS HA . . 4.040 3.666 3.230 4.062 0.022 16 0 "[ . 1 . 2]" 1
173 1 11 LYS H 1 12 ASN H . . 4.440 2.287 2.166 2.316 . 0 0 "[ . 1 . 2]" 1
174 1 11 LYS H 1 12 ASN HA . . 5.500 4.518 4.336 4.554 . 0 0 "[ . 1 . 2]" 1
175 1 11 LYS HA 1 11 LYS HB2 . . 2.800 2.835 2.502 3.025 0.225 4 0 "[ . 1 . 2]" 1
176 1 11 LYS HB2 1 12 ASN H . . 4.550 3.602 3.212 4.099 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS HB3 1 12 ASN H . . 4.260 3.716 3.232 4.300 0.040 14 0 "[ . 1 . 2]" 1
178 1 11 LYS HB3 1 13 GLU H . . 4.450 3.105 2.541 4.550 0.100 14 0 "[ . 1 . 2]" 1
179 1 12 ASN H 1 12 ASN HA . . 2.820 2.283 2.281 2.284 . 0 0 "[ . 1 . 2]" 1
180 1 12 ASN H 1 12 ASN HB2 . . 4.170 2.960 2.934 2.987 . 0 0 "[ . 1 . 2]" 1
181 1 12 ASN H 1 12 ASN HB3 . . 3.670 3.783 3.594 3.955 0.285 10 0 "[ . 1 . 2]" 1
182 1 12 ASN H 1 13 GLU H . . 3.550 2.821 2.798 2.882 . 0 0 "[ . 1 . 2]" 1
183 1 12 ASN H 1 36 CYS HB2 . . 5.500 4.211 3.810 4.659 . 0 0 "[ . 1 . 2]" 1
184 1 12 ASN H 1 36 CYS HB3 . . 5.110 4.575 3.778 5.110 . 0 0 "[ . 1 . 2]" 1
185 1 12 ASN HA 1 13 GLU H . . 3.200 2.865 2.751 2.894 . 0 0 "[ . 1 . 2]" 1
186 1 12 ASN HA 1 36 CYS HB2 . . 4.350 2.520 2.380 2.916 . 0 0 "[ . 1 . 2]" 1
187 1 12 ASN HB2 1 12 ASN HD21 . . 3.530 2.898 2.329 3.358 . 0 0 "[ . 1 . 2]" 1
188 1 12 ASN HB2 1 13 GLU H . . 5.490 4.476 4.357 4.613 . 0 0 "[ . 1 . 2]" 1
189 1 12 ASN HB3 1 13 GLU H . . 5.350 4.173 4.126 4.245 . 0 0 "[ . 1 . 2]" 1
190 1 12 ASN HB3 1 36 CYS H . . 5.500 5.356 4.673 5.791 0.291 15 0 "[ . 1 . 2]" 1
191 1 12 ASN HD21 1 28 CYS H . . 5.440 4.523 3.734 5.530 0.090 13 0 "[ . 1 . 2]" 1
192 1 12 ASN HD21 1 30 LYS HA . . 3.680 3.695 3.412 3.802 0.122 12 0 "[ . 1 . 2]" 1
193 1 12 ASN HD21 1 30 LYS QE . . 4.230 3.466 2.273 4.216 . 0 0 "[ . 1 . 2]" 1
194 1 12 ASN HD21 1 30 LYS QG . . 4.860 3.399 2.125 4.836 . 0 0 "[ . 1 . 2]" 1
195 1 12 ASN HD21 1 35 LYS HA . . 5.360 4.838 3.751 5.389 0.029 19 0 "[ . 1 . 2]" 1
196 1 12 ASN HD21 1 35 LYS QB . . 4.610 4.287 3.528 4.759 0.149 12 0 "[ . 1 . 2]" 1
197 1 12 ASN HD21 1 35 LYS QD . . 5.500 5.369 3.664 5.624 0.124 13 0 "[ . 1 . 2]" 1
198 1 12 ASN HD21 1 36 CYS HB2 . . 5.500 4.793 4.193 5.284 . 0 0 "[ . 1 . 2]" 1
199 1 12 ASN HD22 1 28 CYS H . . 5.200 5.171 4.812 5.558 0.358 10 0 "[ . 1 . 2]" 1
200 1 12 ASN HD22 1 28 CYS HB2 . . 4.310 4.275 4.069 4.394 0.084 17 0 "[ . 1 . 2]" 1
201 1 12 ASN HD22 1 28 CYS HB3 . . 4.690 4.080 3.470 4.449 . 0 0 "[ . 1 . 2]" 1
202 1 12 ASN HD22 1 30 LYS H . . 5.490 5.014 4.369 5.694 0.204 10 0 "[ . 1 . 2]" 1
203 1 12 ASN HD22 1 30 LYS HA . . 3.450 2.935 2.373 3.369 . 0 0 "[ . 1 . 2]" 1
204 1 12 ASN HD22 1 30 LYS QE . . 4.680 4.063 2.714 4.684 0.004 6 0 "[ . 1 . 2]" 1
205 1 12 ASN HD22 1 35 LYS HA . . 3.660 3.545 2.714 3.732 0.072 15 0 "[ . 1 . 2]" 1
206 1 12 ASN HD22 1 35 LYS QB . . 4.150 2.908 2.151 3.566 . 0 0 "[ . 1 . 2]" 1
207 1 12 ASN HD22 1 35 LYS QD . . 5.500 4.156 2.811 4.811 . 0 0 "[ . 1 . 2]" 1
208 1 12 ASN HD22 1 35 LYS QG . . 5.500 4.658 1.937 5.334 . 0 0 "[ . 1 . 2]" 1
209 1 12 ASN HD22 1 36 CYS H . . 4.710 3.083 2.220 3.643 . 0 0 "[ . 1 . 2]" 1
210 1 13 GLU H 1 13 GLU QB . . 3.620 2.657 2.406 2.923 . 0 0 "[ . 1 . 2]" 1
211 1 13 GLU H 1 13 GLU HG2 . . 4.890 3.652 2.373 4.487 . 0 0 "[ . 1 . 2]" 1
212 1 13 GLU H 1 13 GLU HG3 . . 4.480 4.327 2.377 4.908 0.428 3 0 "[ . 1 . 2]" 1
213 1 13 GLU H 1 14 CYS H . . 4.780 4.380 4.259 4.487 . 0 0 "[ . 1 . 2]" 1
214 1 13 GLU H 1 28 CYS H . . 5.300 4.674 4.553 4.962 . 0 0 "[ . 1 . 2]" 1
215 1 13 GLU HA 1 14 CYS H . . 2.670 2.189 2.150 2.246 . 0 0 "[ . 1 . 2]" 1
216 1 13 GLU HA 1 14 CYS HB2 . . 5.230 4.222 4.169 4.318 . 0 0 "[ . 1 . 2]" 1
217 1 13 GLU HA 1 27 LYS HA . . 2.700 2.146 1.975 2.348 . 0 0 "[ . 1 . 2]" 1
218 1 13 GLU HA 1 28 CYS H . . 3.150 2.519 2.405 2.859 . 0 0 "[ . 1 . 2]" 1
219 1 13 GLU HA 1 28 CYS HB2 . . 4.430 3.331 3.035 3.914 . 0 0 "[ . 1 . 2]" 1
220 1 13 GLU QB 1 14 CYS H . . 4.100 3.399 2.914 3.744 . 0 0 "[ . 1 . 2]" 1
221 1 13 GLU QB 1 27 LYS HA . . 2.910 2.451 2.056 2.930 0.020 11 0 "[ . 1 . 2]" 1
222 1 13 GLU QB 1 28 CYS H . . 4.110 3.783 3.511 4.075 . 0 0 "[ . 1 . 2]" 1
223 1 13 GLU HG2 1 14 CYS H . . 5.070 3.473 2.316 5.181 0.111 16 0 "[ . 1 . 2]" 1
224 1 13 GLU HG2 1 26 ILE H . . 5.440 4.166 2.843 5.521 0.081 5 0 "[ . 1 . 2]" 1
225 1 13 GLU HG3 1 14 CYS H . . 4.790 3.502 2.154 4.269 . 0 0 "[ . 1 . 2]" 1
226 1 13 GLU HG3 1 26 ILE H . . 5.240 3.829 3.026 5.265 0.025 16 0 "[ . 1 . 2]" 1
227 1 14 CYS H 1 14 CYS HB2 . . 3.570 2.518 2.414 2.830 . 0 0 "[ . 1 . 2]" 1
228 1 14 CYS H 1 14 CYS HB3 . . 3.300 2.802 2.643 2.862 . 0 0 "[ . 1 . 2]" 1
229 1 14 CYS H 1 15 LYS H . . 4.840 4.556 4.532 4.568 . 0 0 "[ . 1 . 2]" 1
230 1 14 CYS H 1 25 PHE HA . . 5.060 5.099 5.021 5.155 0.095 12 0 "[ . 1 . 2]" 1
231 1 14 CYS H 1 25 PHE QB . . 5.280 4.872 4.558 5.050 . 0 0 "[ . 1 . 2]" 1
232 1 14 CYS H 1 26 ILE H . . 3.630 3.430 3.211 3.591 . 0 0 "[ . 1 . 2]" 1
233 1 14 CYS H 1 26 ILE MG . . 4.480 3.261 3.072 3.468 . 0 0 "[ . 1 . 2]" 1
234 1 14 CYS H 1 27 LYS H . . 5.500 4.908 4.571 5.080 . 0 0 "[ . 1 . 2]" 1
235 1 14 CYS H 1 27 LYS HA . . 3.670 3.413 2.960 3.690 0.020 6 0 "[ . 1 . 2]" 1
236 1 14 CYS H 1 28 CYS H . . 4.190 3.964 3.745 4.298 0.108 5 0 "[ . 1 . 2]" 1
237 1 14 CYS HA 1 15 LYS H . . 2.810 2.403 2.278 2.453 . 0 0 "[ . 1 . 2]" 1
238 1 14 CYS HB2 1 15 LYS H . . 4.700 3.965 3.924 4.138 . 0 0 "[ . 1 . 2]" 1
239 1 14 CYS HB2 1 26 ILE H . . 4.870 4.949 4.876 4.999 0.129 13 0 "[ . 1 . 2]" 1
240 1 14 CYS HB2 1 26 ILE MG . . 4.110 3.841 3.700 4.136 0.026 18 0 "[ . 1 . 2]" 1
241 1 14 CYS HB3 1 15 LYS H . . 4.490 3.272 3.090 3.643 . 0 0 "[ . 1 . 2]" 1
242 1 14 CYS HB3 1 26 ILE H . . 4.360 3.777 3.505 4.037 . 0 0 "[ . 1 . 2]" 1
243 1 15 LYS H 1 15 LYS QB . . 3.410 2.869 2.487 3.126 . 0 0 "[ . 1 . 2]" 1
244 1 15 LYS H 1 15 LYS QD . . 5.020 4.099 3.826 4.778 . 0 0 "[ . 1 . 2]" 1
245 1 15 LYS H 1 16 TYR H . . 5.420 4.171 4.116 4.321 . 0 0 "[ . 1 . 2]" 1
246 1 15 LYS H 1 25 PHE HA . . 5.220 4.547 4.463 4.777 . 0 0 "[ . 1 . 2]" 1
247 1 15 LYS H 1 25 PHE QB . . 5.290 4.911 4.404 5.140 . 0 0 "[ . 1 . 2]" 1
248 1 15 LYS H 1 26 ILE H . . 5.470 4.786 4.646 5.078 . 0 0 "[ . 1 . 2]" 1
249 1 15 LYS HA 1 15 LYS QD . . 3.740 3.458 2.165 3.721 . 0 0 "[ . 1 . 2]" 1
250 1 15 LYS HA 1 16 TYR H . . 2.820 2.146 2.142 2.158 . 0 0 "[ . 1 . 2]" 1
251 1 15 LYS HA 1 24 THR H . . 4.880 4.699 4.518 4.973 0.093 5 0 "[ . 1 . 2]" 1
252 1 15 LYS HA 1 25 PHE HA . . 3.070 1.988 1.953 2.233 . 0 0 "[ . 1 . 2]" 1
253 1 15 LYS HA 1 26 ILE H . . 4.670 3.289 3.070 3.691 . 0 0 "[ . 1 . 2]" 1
254 1 15 LYS QB 1 15 LYS QE . . 4.360 2.904 1.995 3.617 . 0 0 "[ . 1 . 2]" 1
255 1 15 LYS QB 1 16 TYR H . . 4.440 3.490 3.176 3.806 . 0 0 "[ . 1 . 2]" 1
256 1 15 LYS QB 1 25 PHE HA . . 4.550 3.095 2.758 4.223 . 0 0 "[ . 1 . 2]" 1
257 1 15 LYS QB 1 25 PHE QB . . 3.580 2.490 2.236 3.223 . 0 0 "[ . 1 . 2]" 1
258 1 15 LYS QB 1 25 PHE QD . . 4.360 3.922 1.887 4.246 . 0 0 "[ . 1 . 2]" 1
259 1 15 LYS QD 1 16 TYR H . . 4.190 3.525 2.578 4.146 . 0 0 "[ . 1 . 2]" 1
260 1 15 LYS QD 1 23 ASP QB . . 4.860 3.220 2.051 4.072 . 0 0 "[ . 1 . 2]" 1
261 1 15 LYS QD 1 24 THR H . . 5.370 4.192 2.607 4.907 . 0 0 "[ . 1 . 2]" 1
262 1 16 TYR H 1 16 TYR HB3 . . 3.990 3.251 3.107 3.560 . 0 0 "[ . 1 . 2]" 1
263 1 16 TYR H 1 16 TYR QD . . 3.690 2.804 2.457 3.197 . 0 0 "[ . 1 . 2]" 1
264 1 16 TYR H 1 17 LYS H . . 5.090 4.430 4.401 4.465 . 0 0 "[ . 1 . 2]" 1
265 1 16 TYR H 1 23 ASP HA . . 4.980 4.905 4.706 5.000 0.020 12 0 "[ . 1 . 2]" 1
266 1 16 TYR H 1 23 ASP QB . . 5.500 5.109 4.932 5.241 . 0 0 "[ . 1 . 2]" 1
267 1 16 TYR H 1 24 THR H . . 3.760 3.321 3.140 3.463 . 0 0 "[ . 1 . 2]" 1
268 1 16 TYR H 1 24 THR MG . . 5.360 4.499 2.714 4.872 . 0 0 "[ . 1 . 2]" 1
269 1 16 TYR H 1 25 PHE HA . . 4.390 3.328 2.907 3.509 . 0 0 "[ . 1 . 2]" 1
270 1 16 TYR HA 1 16 TYR HB2 . . 2.810 2.454 2.391 2.610 . 0 0 "[ . 1 . 2]" 1
271 1 16 TYR HA 1 16 TYR HB3 . . 2.860 2.455 2.322 2.520 . 0 0 "[ . 1 . 2]" 1
272 1 16 TYR HA 1 16 TYR QD . . 3.850 3.732 3.697 3.741 . 0 0 "[ . 1 . 2]" 1
273 1 16 TYR HA 1 17 LYS H . . 2.570 2.405 2.400 2.417 . 0 0 "[ . 1 . 2]" 1
274 1 16 TYR HB2 1 17 LYS H . . 3.360 2.446 2.416 2.486 . 0 0 "[ . 1 . 2]" 1
275 1 16 TYR HB3 1 17 LYS H . . 3.850 3.774 3.515 3.867 0.017 1 0 "[ . 1 . 2]" 1
276 1 16 TYR HB3 1 45 VAL MG2 . . 5.380 3.929 3.445 4.502 . 0 0 "[ . 1 . 2]" 1
277 1 16 TYR QD 1 17 LYS H . . 4.140 3.284 2.971 3.839 . 0 0 "[ . 1 . 2]" 1
278 1 16 TYR QD 1 18 ASN H . . 5.500 4.089 3.621 4.467 . 0 0 "[ . 1 . 2]" 1
279 1 16 TYR QD 1 18 ASN HA . . 3.730 3.442 3.210 3.750 0.020 8 0 "[ . 1 . 2]" 1
280 1 16 TYR QD 1 24 THR HB . . 4.650 4.085 3.438 4.719 0.069 8 0 "[ . 1 . 2]" 1
281 1 16 TYR QD 1 45 VAL MG2 . . 4.200 3.198 2.703 3.615 . 0 0 "[ . 1 . 2]" 1
282 1 17 LYS H 1 17 LYS HB2 . . 3.350 2.282 2.216 2.354 . 0 0 "[ . 1 . 2]" 1
283 1 17 LYS H 1 17 LYS HB3 . . 3.850 3.452 3.296 3.589 . 0 0 "[ . 1 . 2]" 1
284 1 17 LYS H 1 17 LYS QG . . 5.070 3.348 2.925 3.728 . 0 0 "[ . 1 . 2]" 1
285 1 17 LYS H 1 18 ASN H . . 4.940 4.438 4.345 4.543 . 0 0 "[ . 1 . 2]" 1
286 1 17 LYS H 1 18 ASN HA . . 5.440 5.094 4.993 5.164 . 0 0 "[ . 1 . 2]" 1
287 1 17 LYS HA 1 17 LYS QG . . 3.520 2.268 2.174 2.367 . 0 0 "[ . 1 . 2]" 1
288 1 17 LYS HA 1 18 ASN H . . 2.580 2.161 2.141 2.240 . 0 0 "[ . 1 . 2]" 1
289 1 17 LYS HA 1 23 ASP H . . 4.960 4.847 4.502 5.005 0.045 5 0 "[ . 1 . 2]" 1
290 1 17 LYS HA 1 23 ASP HA . . 3.050 2.602 2.329 2.809 . 0 0 "[ . 1 . 2]" 1
291 1 17 LYS HA 1 24 THR H . . 3.800 2.971 2.782 3.237 . 0 0 "[ . 1 . 2]" 1
292 1 17 LYS HB2 1 18 ASN H . . 4.840 4.410 4.209 4.548 . 0 0 "[ . 1 . 2]" 1
293 1 17 LYS HB3 1 17 LYS QD . . 2.680 2.428 2.214 2.674 . 0 0 "[ . 1 . 2]" 1
294 1 17 LYS HB3 1 17 LYS QG . . 2.680 2.314 2.211 2.411 . 0 0 "[ . 1 . 2]" 1
295 1 17 LYS HB3 1 18 ASN H . . 4.130 3.434 3.044 3.739 . 0 0 "[ . 1 . 2]" 1
296 1 17 LYS HB3 1 21 GLY H . . 4.630 4.259 3.828 4.631 0.001 19 0 "[ . 1 . 2]" 1
297 1 17 LYS HB3 1 21 GLY HA2 . . 3.780 3.226 2.308 3.786 0.006 8 0 "[ . 1 . 2]" 1
298 1 17 LYS QD 1 18 ASN H . . 5.500 5.086 4.489 5.404 . 0 0 "[ . 1 . 2]" 1
299 1 17 LYS QG 1 18 ASN H . . 5.460 3.582 2.943 3.943 . 0 0 "[ . 1 . 2]" 1
300 1 17 LYS QG 1 21 GLY H . . 5.490 4.769 4.278 5.169 . 0 0 "[ . 1 . 2]" 1
301 1 17 LYS QG 1 21 GLY HA2 . . 5.170 3.624 3.095 4.090 . 0 0 "[ . 1 . 2]" 1
302 1 17 LYS QG 1 22 LYS HA . . 4.010 3.901 3.457 4.011 0.001 13 0 "[ . 1 . 2]" 1
303 1 18 ASN H 1 18 ASN HB2 . . 4.200 3.516 3.016 3.665 . 0 0 "[ . 1 . 2]" 1
304 1 18 ASN H 1 18 ASN HB3 . . 3.630 2.760 2.356 3.607 . 0 0 "[ . 1 . 2]" 1
305 1 18 ASN H 1 18 ASN HD22 . . 5.480 3.680 2.954 4.325 . 0 0 "[ . 1 . 2]" 1
306 1 18 ASN H 1 19 ASP H . . 5.500 4.510 4.427 4.590 . 0 0 "[ . 1 . 2]" 1
307 1 18 ASN H 1 21 GLY H . . 4.910 3.808 3.500 4.111 . 0 0 "[ . 1 . 2]" 1
308 1 18 ASN H 1 21 GLY HA2 . . 5.500 4.562 4.090 5.039 . 0 0 "[ . 1 . 2]" 1
309 1 18 ASN H 1 23 ASP HA . . 4.220 4.029 3.600 4.233 0.013 16 0 "[ . 1 . 2]" 1
310 1 18 ASN H 1 24 THR H . . 5.120 3.979 3.512 4.295 . 0 0 "[ . 1 . 2]" 1
311 1 18 ASN H 1 24 THR HB . . 4.830 4.431 3.626 4.832 0.002 19 0 "[ . 1 . 2]" 1
312 1 18 ASN H 1 24 THR HG1 . . 5.500 3.770 2.773 5.571 0.071 8 0 "[ . 1 . 2]" 1
313 1 18 ASN H 1 24 THR MG . . 5.500 5.230 3.389 5.518 0.018 1 0 "[ . 1 . 2]" 1
314 1 18 ASN HA 1 18 ASN HB2 . . 2.950 2.508 2.323 2.941 . 0 0 "[ . 1 . 2]" 1
315 1 18 ASN HA 1 18 ASN HB3 . . 2.990 2.454 2.256 2.614 . 0 0 "[ . 1 . 2]" 1
316 1 18 ASN HA 1 19 ASP H . . 3.510 2.607 2.467 2.693 . 0 0 "[ . 1 . 2]" 1
317 1 18 ASN HA 1 20 ALA H . . 4.730 4.291 4.129 4.521 . 0 0 "[ . 1 . 2]" 1
318 1 18 ASN HB2 1 19 ASP H . . 3.480 2.199 1.934 2.420 . 0 0 "[ . 1 . 2]" 1
319 1 18 ASN HB2 1 20 ALA H . . 4.600 2.959 2.103 3.611 . 0 0 "[ . 1 . 2]" 1
320 1 18 ASN HB3 1 19 ASP H . . 3.960 3.434 2.455 3.746 . 0 0 "[ . 1 . 2]" 1
321 1 18 ASN HB3 1 20 ALA H . . 5.140 4.151 3.615 4.393 . 0 0 "[ . 1 . 2]" 1
322 1 18 ASN HB3 1 22 LYS H . . 5.500 5.452 4.838 6.297 0.797 1 2 "[+ . - . 2]" 1
323 1 18 ASN HD21 1 20 ALA H . . 4.180 3.771 1.877 4.600 0.420 16 0 "[ . 1 . 2]" 1
324 1 18 ASN HD21 1 20 ALA MB . . 5.500 3.289 2.238 4.127 . 0 0 "[ . 1 . 2]" 1
325 1 18 ASN HD21 1 22 LYS HB2 . . 4.570 3.547 2.286 4.543 . 0 0 "[ . 1 . 2]" 1
326 1 18 ASN HD21 1 22 LYS HB3 . . 5.330 4.584 3.845 5.332 0.002 18 0 "[ . 1 . 2]" 1
327 1 18 ASN HD21 1 24 THR MG . . 5.500 4.736 3.770 5.328 . 0 0 "[ . 1 . 2]" 1
328 1 18 ASN HD22 1 20 ALA H . . 4.970 3.720 2.916 5.008 0.038 5 0 "[ . 1 . 2]" 1
329 1 18 ASN HD22 1 20 ALA MB . . 4.130 2.558 1.911 4.136 0.006 5 0 "[ . 1 . 2]" 1
330 1 18 ASN HD22 1 22 LYS H . . 4.980 3.130 1.887 4.736 . 0 0 "[ . 1 . 2]" 1
331 1 18 ASN HD22 1 22 LYS HB2 . . 4.400 2.564 1.948 4.364 . 0 0 "[ . 1 . 2]" 1
332 1 18 ASN HD22 1 22 LYS HB3 . . 4.240 3.736 2.834 4.238 . 0 0 "[ . 1 . 2]" 1
333 1 19 ASP H 1 19 ASP HB2 . . 3.790 2.917 2.086 3.591 . 0 0 "[ . 1 . 2]" 1
334 1 19 ASP H 1 19 ASP HB3 . . 3.800 2.602 2.310 3.145 . 0 0 "[ . 1 . 2]" 1
335 1 19 ASP H 1 20 ALA H . . 3.870 2.674 2.544 2.745 . 0 0 "[ . 1 . 2]" 1
336 1 19 ASP H 1 20 ALA MB . . 5.500 4.311 4.207 4.405 . 0 0 "[ . 1 . 2]" 1
337 1 19 ASP HA 1 19 ASP HB2 . . 2.850 2.495 2.333 2.766 . 0 0 "[ . 1 . 2]" 1
338 1 19 ASP HA 1 21 GLY H . . 3.620 3.625 3.525 3.656 0.036 20 0 "[ . 1 . 2]" 1
339 1 19 ASP HB2 1 20 ALA H . . 4.540 3.947 3.580 4.189 . 0 0 "[ . 1 . 2]" 1
340 1 19 ASP HB3 1 20 ALA H . . 4.180 3.472 2.768 4.168 . 0 0 "[ . 1 . 2]" 1
341 1 20 ALA H 1 20 ALA MB . . 3.170 2.168 2.033 2.275 . 0 0 "[ . 1 . 2]" 1
342 1 20 ALA H 1 21 GLY H . . 3.050 2.531 2.385 2.602 . 0 0 "[ . 1 . 2]" 1
343 1 20 ALA H 1 21 GLY HA2 . . 4.850 4.869 4.684 4.950 0.100 8 0 "[ . 1 . 2]" 1
344 1 20 ALA H 1 22 LYS H . . 4.240 3.928 3.540 4.053 . 0 0 "[ . 1 . 2]" 1
345 1 20 ALA H 1 22 LYS HB2 . . 5.180 5.007 4.750 5.189 0.009 8 0 "[ . 1 . 2]" 1
346 1 20 ALA HA 1 22 LYS H . . 4.260 4.258 4.234 4.279 0.019 12 0 "[ . 1 . 2]" 1
347 1 20 ALA MB 1 21 GLY H . . 4.420 3.125 3.027 3.233 . 0 0 "[ . 1 . 2]" 1
348 1 20 ALA MB 1 22 LYS H . . 4.180 2.462 2.367 2.670 . 0 0 "[ . 1 . 2]" 1
349 1 20 ALA MB 1 22 LYS HB2 . . 3.570 2.834 2.653 3.166 . 0 0 "[ . 1 . 2]" 1
350 1 20 ALA MB 1 22 LYS QE . . 4.030 3.162 2.005 3.969 . 0 0 "[ . 1 . 2]" 1
351 1 21 GLY H 1 22 LYS H . . 3.140 2.659 2.586 2.710 . 0 0 "[ . 1 . 2]" 1
352 1 21 GLY H 1 22 LYS HA . . 5.460 5.189 5.160 5.210 . 0 0 "[ . 1 . 2]" 1
353 1 22 LYS H 1 22 LYS HB2 . . 3.260 2.281 2.087 2.563 . 0 0 "[ . 1 . 2]" 1
354 1 22 LYS H 1 22 LYS HB3 . . 3.670 3.516 3.356 3.626 . 0 0 "[ . 1 . 2]" 1
355 1 22 LYS H 1 22 LYS QE . . 5.380 4.168 3.342 4.809 . 0 0 "[ . 1 . 2]" 1
356 1 22 LYS H 1 22 LYS HG2 . . 4.270 3.840 2.666 4.259 . 0 0 "[ . 1 . 2]" 1
357 1 22 LYS H 1 22 LYS HG3 . . 4.240 2.955 2.061 4.241 0.001 6 0 "[ . 1 . 2]" 1
358 1 22 LYS H 1 23 ASP H . . 4.720 4.607 4.534 4.634 . 0 0 "[ . 1 . 2]" 1
359 1 22 LYS HA 1 23 ASP H . . 2.630 2.263 2.162 2.353 . 0 0 "[ . 1 . 2]" 1
360 1 22 LYS HA 1 23 ASP QB . . 4.860 4.400 4.272 4.599 . 0 0 "[ . 1 . 2]" 1
361 1 22 LYS HB2 1 23 ASP H . . 4.090 4.071 3.969 4.107 0.017 5 0 "[ . 1 . 2]" 1
362 1 22 LYS HB3 1 22 LYS QE . . 4.220 3.473 2.380 4.193 . 0 0 "[ . 1 . 2]" 1
363 1 22 LYS HB3 1 23 ASP H . . 3.870 2.891 2.631 3.219 . 0 0 "[ . 1 . 2]" 1
364 1 22 LYS HG2 1 23 ASP H . . 4.910 3.923 3.143 4.791 . 0 0 "[ . 1 . 2]" 1
365 1 22 LYS HG3 1 23 ASP H . . 4.940 4.573 2.954 4.942 0.002 4 0 "[ . 1 . 2]" 1
366 1 23 ASP H 1 23 ASP QB . . 3.120 2.525 2.204 2.832 . 0 0 "[ . 1 . 2]" 1
367 1 23 ASP HA 1 24 THR H . . 2.610 2.142 2.138 2.156 . 0 0 "[ . 1 . 2]" 1
368 1 23 ASP QB 1 24 THR H . . 4.090 3.286 3.155 3.356 . 0 0 "[ . 1 . 2]" 1
369 1 24 THR H 1 24 THR HB . . 3.300 2.802 2.557 2.896 . 0 0 "[ . 1 . 2]" 1
370 1 24 THR H 1 24 THR HG1 . . 5.360 3.276 2.254 4.753 . 0 0 "[ . 1 . 2]" 1
371 1 24 THR H 1 24 THR MG . . 4.610 3.828 2.426 3.937 . 0 0 "[ . 1 . 2]" 1
372 1 24 THR H 1 25 PHE H . . 5.110 4.356 4.139 4.466 . 0 0 "[ . 1 . 2]" 1
373 1 24 THR HA 1 24 THR MG . . 3.240 2.297 2.127 3.167 . 0 0 "[ . 1 . 2]" 1
374 1 24 THR HA 1 25 PHE H . . 2.630 2.167 2.146 2.276 . 0 0 "[ . 1 . 2]" 1
375 1 24 THR HA 1 25 PHE QD . . 3.870 3.697 3.368 3.869 . 0 0 "[ . 1 . 2]" 1
376 1 24 THR HB 1 25 PHE H . . 4.940 4.041 3.852 4.362 . 0 0 "[ . 1 . 2]" 1
377 1 24 THR MG 1 25 PHE H . . 3.550 2.604 2.298 3.288 . 0 0 "[ . 1 . 2]" 1
378 1 24 THR MG 1 25 PHE HA . . 4.210 3.963 3.458 4.186 . 0 0 "[ . 1 . 2]" 1
379 1 25 PHE H 1 25 PHE QB . . 3.140 2.996 2.860 3.156 0.016 8 0 "[ . 1 . 2]" 1
380 1 25 PHE H 1 25 PHE QD . . 3.530 2.733 2.355 3.101 . 0 0 "[ . 1 . 2]" 1
381 1 25 PHE H 1 25 PHE QE . . 5.400 3.942 3.841 4.165 . 0 0 "[ . 1 . 2]" 1
382 1 25 PHE H 1 26 ILE H . . 4.970 4.440 4.341 4.514 . 0 0 "[ . 1 . 2]" 1
383 1 25 PHE HA 1 25 PHE QD . . 3.740 3.682 3.181 3.722 . 0 0 "[ . 1 . 2]" 1
384 1 25 PHE HA 1 26 ILE H . . 2.610 2.191 2.148 2.282 . 0 0 "[ . 1 . 2]" 1
385 1 25 PHE HA 1 26 ILE MG . . 4.100 3.791 3.671 3.893 . 0 0 "[ . 1 . 2]" 1
386 1 25 PHE QB 1 26 ILE H . . 3.620 3.006 2.693 3.204 . 0 0 "[ . 1 . 2]" 1
387 1 25 PHE QD 1 26 ILE H . . 4.940 4.258 3.912 4.739 . 0 0 "[ . 1 . 2]" 1
388 1 26 ILE H 1 26 ILE HB . . 3.810 3.143 3.045 3.312 . 0 0 "[ . 1 . 2]" 1
389 1 26 ILE H 1 26 ILE MG . . 3.490 2.306 2.202 2.473 . 0 0 "[ . 1 . 2]" 1
390 1 26 ILE H 1 27 LYS H . . 4.350 4.381 4.320 4.441 0.091 11 0 "[ . 1 . 2]" 1
391 1 26 ILE H 1 27 LYS HA . . 5.500 4.882 4.709 4.974 . 0 0 "[ . 1 . 2]" 1
392 1 26 ILE HA 1 26 ILE MG . . 3.540 3.197 3.193 3.201 . 0 0 "[ . 1 . 2]" 1
393 1 26 ILE HA 1 27 LYS H . . 2.560 2.232 2.171 2.287 . 0 0 "[ . 1 . 2]" 1
394 1 26 ILE HA 1 27 LYS QE . . 4.520 4.199 3.046 4.576 0.056 7 0 "[ . 1 . 2]" 1
395 1 26 ILE HA 1 27 LYS HG2 . . 5.500 4.981 4.174 5.740 0.240 11 0 "[ . 1 . 2]" 1
396 1 26 ILE HA 1 27 LYS HG3 . . 5.500 4.738 3.570 5.974 0.474 20 0 "[ . 1 . 2]" 1
397 1 26 ILE HB 1 27 LYS H . . 4.260 4.085 3.971 4.231 . 0 0 "[ . 1 . 2]" 1
398 1 26 ILE HB 1 27 LYS QE . . 5.500 5.453 5.016 5.599 0.099 18 0 "[ . 1 . 2]" 1
399 1 26 ILE QG 1 27 LYS H . . 3.590 2.086 1.892 2.514 . 0 0 "[ . 1 . 2]" 1
400 1 26 ILE QG 1 27 LYS QD . . 2.900 2.670 1.998 3.082 0.182 8 0 "[ . 1 . 2]" 1
401 1 26 ILE MG 1 27 LYS H . . 3.560 3.593 3.516 3.709 0.149 20 0 "[ . 1 . 2]" 1
402 1 27 LYS H 1 27 LYS HB2 . . 3.600 3.296 2.434 3.612 0.012 8 0 "[ . 1 . 2]" 1
403 1 27 LYS H 1 27 LYS HB3 . . 3.530 3.033 2.348 3.601 0.071 18 0 "[ . 1 . 2]" 1
404 1 27 LYS H 1 27 LYS QD . . 3.140 1.928 1.769 2.115 . 0 0 "[ . 1 . 2]" 1
405 1 27 LYS H 1 27 LYS HG2 . . 4.100 3.003 2.141 3.954 . 0 0 "[ . 1 . 2]" 1
406 1 27 LYS H 1 27 LYS HG3 . . 3.620 2.869 1.792 3.864 0.244 20 0 "[ . 1 . 2]" 1
407 1 27 LYS HA 1 27 LYS HB2 . . 2.910 2.687 2.347 3.023 0.113 11 0 "[ . 1 . 2]" 1
408 1 27 LYS HA 1 27 LYS QD . . 3.870 3.619 3.379 3.849 . 0 0 "[ . 1 . 2]" 1
409 1 27 LYS HA 1 27 LYS HG3 . . 4.200 3.587 2.366 4.230 0.030 20 0 "[ . 1 . 2]" 1
410 1 27 LYS HA 1 28 CYS H . . 2.560 2.263 2.241 2.286 . 0 0 "[ . 1 . 2]" 1
411 1 27 LYS HB2 1 28 CYS H . . 3.870 3.090 2.764 3.950 0.080 4 0 "[ . 1 . 2]" 1
412 1 27 LYS HB2 1 28 CYS HA . . 5.080 4.640 4.466 4.958 . 0 0 "[ . 1 . 2]" 1
413 1 27 LYS QE 1 27 LYS HG2 . . 3.590 2.540 2.156 3.305 . 0 0 "[ . 1 . 2]" 1
414 1 28 CYS H 1 28 CYS HB2 . . 3.320 2.273 2.239 2.306 . 0 0 "[ . 1 . 2]" 1
415 1 28 CYS H 1 28 CYS HB3 . . 3.950 3.477 3.317 3.560 . 0 0 "[ . 1 . 2]" 1
416 1 28 CYS HB3 1 35 LYS HA . . 3.240 3.113 2.798 3.280 0.040 15 0 "[ . 1 . 2]" 1
417 1 28 CYS HB3 1 35 LYS QB . . 4.790 4.582 4.354 5.036 0.246 12 0 "[ . 1 . 2]" 1
418 1 28 CYS HB3 1 36 CYS H . . 4.390 4.326 4.045 4.432 0.042 8 0 "[ . 1 . 2]" 1
419 1 30 LYS H 1 30 LYS HB2 . . 3.480 2.311 2.202 2.578 . 0 0 "[ . 1 . 2]" 1
420 1 30 LYS H 1 30 LYS HB3 . . 3.330 3.177 2.646 3.527 0.197 6 0 "[ . 1 . 2]" 1
421 1 30 LYS H 1 30 LYS QE . . 5.500 5.085 4.344 5.485 . 0 0 "[ . 1 . 2]" 1
422 1 30 LYS H 1 31 PHE H . . 3.160 2.571 2.445 2.618 . 0 0 "[ . 1 . 2]" 1
423 1 30 LYS H 1 31 PHE HA . . 5.340 4.813 4.722 4.854 . 0 0 "[ . 1 . 2]" 1
424 1 30 LYS H 1 31 PHE QE . . 5.430 4.945 4.255 5.418 . 0 0 "[ . 1 . 2]" 1
425 1 30 LYS HA 1 30 LYS QG . . 3.420 2.234 2.096 2.470 . 0 0 "[ . 1 . 2]" 1
426 1 30 LYS HA 1 35 LYS HA . . 5.140 4.454 4.060 4.789 . 0 0 "[ . 1 . 2]" 1
427 1 30 LYS HA 1 35 LYS QB . . 4.050 3.224 2.989 4.252 0.202 12 0 "[ . 1 . 2]" 1
428 1 30 LYS HA 1 35 LYS QD . . 4.070 3.846 1.935 4.117 0.047 4 0 "[ . 1 . 2]" 1
429 1 30 LYS HA 1 35 LYS QE . . 4.840 4.751 3.782 4.897 0.057 6 0 "[ . 1 . 2]" 1
430 1 30 LYS HA 1 35 LYS QG . . 5.050 4.823 2.282 5.150 0.100 15 0 "[ . 1 . 2]" 1
431 1 30 LYS HB3 1 31 PHE H . . 4.210 3.985 3.744 4.202 . 0 0 "[ . 1 . 2]" 1
432 1 30 LYS QG 1 31 PHE H . . 4.600 4.569 4.419 4.635 0.035 6 0 "[ . 1 . 2]" 1
433 1 31 PHE H 1 31 PHE QB . . 3.330 2.223 2.123 2.384 . 0 0 "[ . 1 . 2]" 1
434 1 31 PHE H 1 32 ASP H . . 5.430 4.608 4.594 4.619 . 0 0 "[ . 1 . 2]" 1
435 1 31 PHE H 1 34 LYS H . . 5.500 4.244 4.062 4.487 . 0 0 "[ . 1 . 2]" 1
436 1 31 PHE HA 1 32 ASP H . . 3.130 2.269 2.209 2.381 . 0 0 "[ . 1 . 2]" 1
437 1 31 PHE QB 1 32 ASP H . . 4.250 2.797 2.471 2.971 . 0 0 "[ . 1 . 2]" 1
438 1 31 PHE QB 1 33 ASN H . . 4.600 2.237 2.108 2.384 . 0 0 "[ . 1 . 2]" 1
439 1 31 PHE QB 1 33 ASN HB2 . . 3.670 3.193 2.561 4.451 0.781 18 2 "[ .- 1 . + 2]" 1
440 1 31 PHE QB 1 34 LYS H . . 4.310 3.034 2.935 3.138 . 0 0 "[ . 1 . 2]" 1
441 1 32 ASP H 1 32 ASP QB . . 3.310 2.232 2.067 2.678 . 0 0 "[ . 1 . 2]" 1
442 1 32 ASP H 1 33 ASN H . . 5.320 2.616 2.504 2.669 . 0 0 "[ . 1 . 2]" 1
443 1 32 ASP HA 1 34 LYS H . . 4.280 3.985 3.937 4.018 . 0 0 "[ . 1 . 2]" 1
444 1 32 ASP HA 1 35 LYS QE . . 3.730 2.472 1.930 3.853 0.123 13 0 "[ . 1 . 2]" 1
445 1 32 ASP HA 1 35 LYS QG . . 4.220 3.471 3.089 4.090 . 0 0 "[ . 1 . 2]" 1
446 1 32 ASP QB 1 33 ASN H . . 3.920 3.186 3.069 3.635 . 0 0 "[ . 1 . 2]" 1
447 1 32 ASP QB 1 33 ASN HA . . 4.430 4.009 3.926 4.280 . 0 0 "[ . 1 . 2]" 1
448 1 33 ASN H 1 33 ASN HB3 . . 3.990 2.987 2.292 3.593 . 0 0 "[ . 1 . 2]" 1
449 1 33 ASN H 1 33 ASN HD21 . . 5.390 4.121 2.551 4.887 . 0 0 "[ . 1 . 2]" 1
450 1 33 ASN H 1 34 LYS H . . 3.520 2.546 2.510 2.572 . 0 0 "[ . 1 . 2]" 1
451 1 33 ASN HA 1 33 ASN HB2 . . 3.020 2.706 2.317 3.022 0.002 20 0 "[ . 1 . 2]" 1
452 1 33 ASN HA 1 33 ASN HB3 . . 2.890 2.781 2.359 3.026 0.136 1 0 "[ . 1 . 2]" 1
453 1 33 ASN HA 1 33 ASN HD22 . . 5.500 4.368 3.361 5.211 . 0 0 "[ . 1 . 2]" 1
454 1 33 ASN HB2 1 34 LYS H . . 5.100 3.499 2.809 4.103 . 0 0 "[ . 1 . 2]" 1
455 1 33 ASN HB2 1 34 LYS QE . . 4.630 4.202 2.307 5.601 0.971 17 3 "[ * 1 .-+ 2]" 1
456 1 33 ASN HB3 1 34 LYS H . . 4.980 3.282 2.797 4.017 . 0 0 "[ . 1 . 2]" 1
457 1 33 ASN HD21 1 34 LYS H . . 4.930 4.581 3.901 4.938 0.008 1 0 "[ . 1 . 2]" 1
458 1 34 LYS H 1 34 LYS HB2 . . 4.180 2.974 2.823 4.011 . 0 0 "[ . 1 . 2]" 1
459 1 34 LYS H 1 34 LYS HB3 . . 3.510 3.708 3.235 3.901 0.391 12 0 "[ . 1 . 2]" 1
460 1 34 LYS H 1 34 LYS QG . . 4.260 3.835 2.549 4.406 0.146 6 0 "[ . 1 . 2]" 1
461 1 34 LYS H 1 35 LYS QB . . 4.420 3.970 3.862 4.313 . 0 0 "[ . 1 . 2]" 1
462 1 34 LYS H 1 35 LYS QG . . 5.350 4.105 3.313 4.550 . 0 0 "[ . 1 . 2]" 1
463 1 34 LYS HA 1 54 CYS H . . 4.270 4.229 3.688 4.404 0.134 6 0 "[ . 1 . 2]" 1
464 1 34 LYS HB2 1 35 LYS H . . 4.850 4.309 3.308 4.514 . 0 0 "[ . 1 . 2]" 1
465 1 34 LYS HB2 1 54 CYS H . . 4.790 3.855 2.034 4.632 . 0 0 "[ . 1 . 2]" 1
466 1 34 LYS HB3 1 35 LYS H . . 4.350 3.564 3.374 4.353 0.003 19 0 "[ . 1 . 2]" 1
467 1 34 LYS HB3 1 54 CYS H . . 5.330 2.802 2.091 3.935 . 0 0 "[ . 1 . 2]" 1
468 1 34 LYS QG 1 54 CYS HA . . 4.820 4.670 4.035 4.935 0.115 9 0 "[ . 1 . 2]" 1
469 1 34 LYS QG 1 54 CYS QB . . 4.970 3.679 2.884 4.566 . 0 0 "[ . 1 . 2]" 1
470 1 35 LYS H 1 35 LYS QB . . 3.190 3.222 2.836 3.385 0.195 13 0 "[ . 1 . 2]" 1
471 1 35 LYS H 1 35 LYS QE . . 5.230 4.892 4.401 5.309 0.079 10 0 "[ . 1 . 2]" 1
472 1 35 LYS H 1 35 LYS QG . . 3.850 2.848 2.481 3.887 0.037 12 0 "[ . 1 . 2]" 1
473 1 35 LYS H 1 36 CYS H . . 4.850 4.367 4.361 4.371 . 0 0 "[ . 1 . 2]" 1
474 1 35 LYS H 1 37 THR MG . . 5.490 5.120 4.712 5.568 0.078 20 0 "[ . 1 . 2]" 1
475 1 35 LYS HA 1 35 LYS QB . . 2.620 2.212 2.164 2.518 . 0 0 "[ . 1 . 2]" 1
476 1 35 LYS HA 1 36 CYS H . . 2.790 2.524 2.442 2.582 . 0 0 "[ . 1 . 2]" 1
477 1 35 LYS QB 1 35 LYS QE . . 4.080 2.829 2.122 3.158 . 0 0 "[ . 1 . 2]" 1
478 1 35 LYS QB 1 36 CYS H . . 3.120 2.218 2.052 2.435 . 0 0 "[ . 1 . 2]" 1
479 1 35 LYS QD 1 36 CYS H . . 5.310 3.859 3.531 4.781 . 0 0 "[ . 1 . 2]" 1
480 1 35 LYS QG 1 36 CYS H . . 4.680 3.266 2.983 3.821 . 0 0 "[ . 1 . 2]" 1
481 1 36 CYS H 1 36 CYS HB2 . . 3.380 2.416 2.302 2.508 . 0 0 "[ . 1 . 2]" 1
482 1 36 CYS H 1 36 CYS HB3 . . 3.530 3.481 3.060 3.689 0.159 12 0 "[ . 1 . 2]" 1
483 1 36 CYS H 1 37 THR H . . 5.190 4.372 4.302 4.403 . 0 0 "[ . 1 . 2]" 1
484 1 36 CYS H 1 37 THR HA . . 5.500 5.052 4.942 5.097 . 0 0 "[ . 1 . 2]" 1
485 1 36 CYS HA 1 37 THR H . . 2.930 2.138 2.137 2.139 . 0 0 "[ . 1 . 2]" 1
486 1 36 CYS HA 1 37 THR MG . . 4.630 4.020 3.618 4.490 . 0 0 "[ . 1 . 2]" 1
487 1 36 CYS HA 1 38 LYS H . . 3.890 3.653 3.459 3.716 . 0 0 "[ . 1 . 2]" 1
488 1 36 CYS HA 1 41 ASN HD21 . . 4.830 2.840 2.538 4.037 . 0 0 "[ . 1 . 2]" 1
489 1 36 CYS HB2 1 37 THR H . . 5.410 4.405 4.305 4.549 . 0 0 "[ . 1 . 2]" 1
490 1 36 CYS HB3 1 37 THR H . . 5.500 3.617 3.468 3.954 . 0 0 "[ . 1 . 2]" 1
491 1 36 CYS HB3 1 37 THR MG . . 5.420 5.309 4.761 5.529 0.109 4 0 "[ . 1 . 2]" 1
492 1 37 THR H 1 37 THR MG . . 3.760 2.687 1.949 3.239 . 0 0 "[ . 1 . 2]" 1
493 1 37 THR H 1 38 LYS H . . 3.070 2.173 2.129 2.342 . 0 0 "[ . 1 . 2]" 1
494 1 37 THR H 1 38 LYS HB2 . . 5.500 4.574 4.360 4.901 . 0 0 "[ . 1 . 2]" 1
495 1 37 THR H 1 38 LYS HB3 . . 5.500 5.170 4.831 5.506 0.006 5 0 "[ . 1 . 2]" 1
496 1 37 THR H 1 41 ASN QB . . 5.000 4.230 4.005 4.441 . 0 0 "[ . 1 . 2]" 1
497 1 37 THR H 1 41 ASN HD21 . . 3.990 2.418 2.107 2.901 . 0 0 "[ . 1 . 2]" 1
498 1 37 THR H 1 41 ASN HD22 . . 4.560 2.585 2.147 3.750 . 0 0 "[ . 1 . 2]" 1
499 1 37 THR HA 1 37 THR MG . . 2.760 2.494 2.176 3.203 0.443 2 0 "[ . 1 . 2]" 1
500 1 37 THR HA 1 41 ASN HD21 . . 5.500 4.875 4.649 5.068 . 0 0 "[ . 1 . 2]" 1
501 1 37 THR HA 1 41 ASN HD22 . . 5.370 4.967 4.632 5.587 0.217 15 0 "[ . 1 . 2]" 1
502 1 37 THR MG 1 38 LYS H . . 4.650 3.686 2.159 4.237 . 0 0 "[ . 1 . 2]" 1
503 1 38 LYS H 1 38 LYS HB2 . . 3.780 2.814 2.660 3.020 . 0 0 "[ . 1 . 2]" 1
504 1 38 LYS H 1 38 LYS HB3 . . 3.820 3.158 2.852 3.446 . 0 0 "[ . 1 . 2]" 1
505 1 38 LYS H 1 38 LYS QG . . 4.910 4.189 4.045 4.322 . 0 0 "[ . 1 . 2]" 1
506 1 38 LYS H 1 39 ASP H . . 4.460 4.425 4.340 4.475 0.015 9 0 "[ . 1 . 2]" 1
507 1 38 LYS H 1 39 ASP HA . . 5.390 4.927 4.737 5.053 . 0 0 "[ . 1 . 2]" 1
508 1 38 LYS H 1 41 ASN H . . 5.130 5.071 4.922 5.149 0.019 4 0 "[ . 1 . 2]" 1
509 1 38 LYS H 1 41 ASN QB . . 4.030 3.611 3.349 3.789 . 0 0 "[ . 1 . 2]" 1
510 1 38 LYS H 1 41 ASN HD21 . . 3.960 1.985 1.862 2.221 . 0 0 "[ . 1 . 2]" 1
511 1 38 LYS H 1 41 ASN HD22 . . 4.110 2.253 1.892 2.977 . 0 0 "[ . 1 . 2]" 1
512 1 38 LYS HA 1 38 LYS QG . . 3.800 2.171 2.015 2.338 . 0 0 "[ . 1 . 2]" 1
513 1 38 LYS HA 1 39 ASP H . . 2.610 2.335 2.247 2.441 . 0 0 "[ . 1 . 2]" 1
514 1 38 LYS HB2 1 38 LYS QE . . 5.130 3.437 2.193 4.266 . 0 0 "[ . 1 . 2]" 1
515 1 38 LYS HB2 1 41 ASN QB . . 5.400 5.030 3.257 5.186 . 0 0 "[ . 1 . 2]" 1
516 1 38 LYS HB2 1 41 ASN HD21 . . 4.870 4.159 3.552 4.409 . 0 0 "[ . 1 . 2]" 1
517 1 38 LYS HB2 1 41 ASN HD22 . . 4.340 3.534 2.853 5.131 0.791 15 1 "[ . 1 + 2]" 1
518 1 38 LYS HB3 1 41 ASN H . . 5.070 4.562 3.706 4.836 . 0 0 "[ . 1 . 2]" 1
519 1 38 LYS HB3 1 41 ASN HD21 . . 5.500 3.902 3.176 4.433 . 0 0 "[ . 1 . 2]" 1
520 1 38 LYS HB3 1 41 ASN HD22 . . 4.190 3.661 2.657 4.869 0.679 15 1 "[ . 1 + 2]" 1
521 1 38 LYS QG 1 39 ASP H . . 3.850 2.315 2.042 2.692 . 0 0 "[ . 1 . 2]" 1
522 1 38 LYS QG 1 41 ASN HD22 . . 5.500 5.200 4.552 6.221 0.721 15 1 "[ . 1 + 2]" 1
523 1 39 ASP H 1 39 ASP QB . . 3.120 2.589 2.249 2.806 . 0 0 "[ . 1 . 2]" 1
524 1 39 ASP H 1 40 ASN H . . 4.580 4.618 4.546 4.637 0.057 11 0 "[ . 1 . 2]" 1
525 1 39 ASP H 1 41 ASN H . . 5.500 4.814 4.300 4.955 . 0 0 "[ . 1 . 2]" 1
526 1 39 ASP HA 1 40 ASN H . . 2.630 2.332 2.206 2.448 . 0 0 "[ . 1 . 2]" 1
527 1 39 ASP HA 1 41 ASN H . . 3.490 3.146 3.083 3.209 . 0 0 "[ . 1 . 2]" 1
528 1 39 ASP QB 1 40 ASN H . . 4.340 2.590 2.304 2.926 . 0 0 "[ . 1 . 2]" 1
529 1 39 ASP QB 1 40 ASN HB3 . . 4.960 4.556 3.584 4.897 . 0 0 "[ . 1 . 2]" 1
530 1 40 ASN H 1 40 ASN HA . . 2.710 2.276 2.274 2.284 . 0 0 "[ . 1 . 2]" 1
531 1 40 ASN H 1 41 ASN H . . 3.070 2.619 2.570 2.801 . 0 0 "[ . 1 . 2]" 1
532 1 40 ASN H 1 41 ASN QB . . 5.080 4.309 4.260 4.777 . 0 0 "[ . 1 . 2]" 1
533 1 40 ASN HA 1 41 ASN H . . 3.320 3.072 2.966 3.215 . 0 0 "[ . 1 . 2]" 1
534 1 40 ASN HB2 1 41 ASN H . . 4.660 4.345 4.190 4.480 . 0 0 "[ . 1 . 2]" 1
535 1 40 ASN HB3 1 41 ASN H . . 4.900 3.945 3.696 4.563 . 0 0 "[ . 1 . 2]" 1
536 1 40 ASN HD21 1 41 ASN HA . . 4.530 4.514 3.848 4.575 0.045 12 0 "[ . 1 . 2]" 1
537 1 41 ASN H 1 41 ASN QB . . 2.910 2.073 2.044 2.506 . 0 0 "[ . 1 . 2]" 1
538 1 41 ASN H 1 41 ASN HD21 . . 4.130 4.069 3.893 4.194 0.064 9 0 "[ . 1 . 2]" 1
539 1 41 ASN H 1 41 ASN HD22 . . 5.270 5.082 4.128 5.259 . 0 0 "[ . 1 . 2]" 1
540 1 41 ASN H 1 42 LYS H . . 4.540 4.516 4.488 4.587 0.047 14 0 "[ . 1 . 2]" 1
541 1 41 ASN HA 1 41 ASN HD22 . . 5.190 4.358 4.244 5.378 0.188 15 0 "[ . 1 . 2]" 1
542 1 41 ASN HA 1 42 LYS H . . 2.800 2.695 2.579 2.720 . 0 0 "[ . 1 . 2]" 1
543 1 41 ASN QB 1 42 LYS H . . 3.330 2.133 1.898 2.270 . 0 0 "[ . 1 . 2]" 1
544 1 41 ASN QB 1 55 ASP H . . 4.240 3.780 3.485 4.128 . 0 0 "[ . 1 . 2]" 1
545 1 41 ASN HD21 1 55 ASP HB3 . . 5.120 3.483 2.198 4.700 . 0 0 "[ . 1 . 2]" 1
546 1 41 ASN HD22 1 42 LYS H . . 5.500 4.706 4.496 5.064 . 0 0 "[ . 1 . 2]" 1
547 1 41 ASN HD22 1 55 ASP HB2 . . 4.670 4.130 2.988 5.456 0.786 9 1 "[ . +1 . 2]" 1
548 1 41 ASN HD22 1 55 ASP HB3 . . 5.500 3.094 2.545 4.005 . 0 0 "[ . 1 . 2]" 1
549 1 42 LYS H 1 42 LYS QB . . 2.820 2.553 2.413 2.626 . 0 0 "[ . 1 . 2]" 1
550 1 42 LYS H 1 42 LYS QD . . 4.850 4.057 3.923 4.686 . 0 0 "[ . 1 . 2]" 1
551 1 42 LYS H 1 42 LYS QE . . 4.200 3.944 3.502 4.430 0.230 14 0 "[ . 1 . 2]" 1
552 1 42 LYS H 1 42 LYS QG . . 4.680 4.264 4.120 4.305 . 0 0 "[ . 1 . 2]" 1
553 1 42 LYS H 1 43 CYS H . . 4.670 4.414 4.367 4.490 . 0 0 "[ . 1 . 2]" 1
554 1 42 LYS H 1 55 ASP H . . 5.230 3.952 3.552 4.376 . 0 0 "[ . 1 . 2]" 1
555 1 42 LYS H 1 55 ASP HA . . 5.210 4.912 3.203 5.282 0.072 16 0 "[ . 1 . 2]" 1
556 1 42 LYS H 1 55 ASP HB2 . . 3.960 2.557 2.261 3.454 . 0 0 "[ . 1 . 2]" 1
557 1 42 LYS H 1 55 ASP HB3 . . 4.280 3.312 2.264 4.020 . 0 0 "[ . 1 . 2]" 1
558 1 42 LYS HA 1 42 LYS QD . . 4.350 2.282 2.072 2.386 . 0 0 "[ . 1 . 2]" 1
559 1 42 LYS HA 1 42 LYS QE . . 4.230 3.632 3.400 3.907 . 0 0 "[ . 1 . 2]" 1
560 1 42 LYS HA 1 43 CYS H . . 2.500 2.258 2.182 2.294 . 0 0 "[ . 1 . 2]" 1
561 1 42 LYS QB 1 42 LYS QD . . 3.200 2.640 2.550 2.806 . 0 0 "[ . 1 . 2]" 1
562 1 42 LYS QB 1 43 CYS H . . 3.650 3.173 3.023 3.483 . 0 0 "[ . 1 . 2]" 1
563 1 42 LYS QB 1 43 CYS HA . . 4.210 4.019 3.942 4.160 . 0 0 "[ . 1 . 2]" 1
564 1 42 LYS QB 1 55 ASP H . . 5.330 4.861 4.543 5.218 . 0 0 "[ . 1 . 2]" 1
565 1 42 LYS QB 1 55 ASP HB3 . . 4.870 4.901 4.020 5.711 0.841 17 3 "[ . - 1 * + 2]" 1
566 1 42 LYS QD 1 43 CYS H . . 4.720 3.809 1.813 3.984 . 0 0 "[ . 1 . 2]" 1
567 1 42 LYS QG 1 43 CYS H . . 3.580 2.658 2.562 3.500 . 0 0 "[ . 1 . 2]" 1
568 1 43 CYS H 1 44 THR H . . 5.100 4.407 4.393 4.422 . 0 0 "[ . 1 . 2]" 1
569 1 43 CYS H 1 44 THR MG . . 5.500 4.941 4.645 5.254 . 0 0 "[ . 1 . 2]" 1
570 1 43 CYS H 1 55 ASP H . . 4.820 4.815 4.376 4.921 0.101 12 0 "[ . 1 . 2]" 1
571 1 43 CYS HA 1 44 THR H . . 3.090 2.562 2.553 2.572 . 0 0 "[ . 1 . 2]" 1
572 1 43 CYS HA 1 53 ASP H . . 5.240 4.902 4.781 5.103 . 0 0 "[ . 1 . 2]" 1
573 1 43 CYS HA 1 55 ASP H . . 4.240 2.992 2.356 3.207 . 0 0 "[ . 1 . 2]" 1
574 1 43 CYS QB 1 44 THR H . . 3.660 2.208 2.141 2.256 . 0 0 "[ . 1 . 2]" 1
575 1 43 CYS QB 1 53 ASP H . . 5.220 3.773 3.603 3.972 . 0 0 "[ . 1 . 2]" 1
576 1 43 CYS QB 1 54 CYS H . . 4.290 4.165 3.985 4.365 0.075 12 0 "[ . 1 . 2]" 1
577 1 43 CYS QB 1 55 ASP H . . 4.650 3.239 2.708 3.912 . 0 0 "[ . 1 . 2]" 1
578 1 44 THR H 1 44 THR HB . . 3.850 3.557 3.398 3.700 . 0 0 "[ . 1 . 2]" 1
579 1 44 THR H 1 44 THR MG . . 4.250 3.688 3.532 3.835 . 0 0 "[ . 1 . 2]" 1
580 1 44 THR H 1 45 VAL MG2 . . 5.500 3.649 3.522 3.768 . 0 0 "[ . 1 . 2]" 1
581 1 44 THR H 1 52 VAL HA . . 4.890 4.480 4.385 4.594 . 0 0 "[ . 1 . 2]" 1
582 1 44 THR H 1 52 VAL QG . . 5.280 3.945 3.324 4.882 . 0 0 "[ . 1 . 2]" 1
583 1 44 THR H 1 53 ASP H . . 3.640 2.680 2.588 2.806 . 0 0 "[ . 1 . 2]" 1
584 1 44 THR H 1 53 ASP HB2 . . 4.480 4.045 3.526 4.495 0.015 4 0 "[ . 1 . 2]" 1
585 1 44 THR H 1 53 ASP HB3 . . 4.590 3.591 3.378 3.779 . 0 0 "[ . 1 . 2]" 1
586 1 44 THR HA 1 44 THR HB . . 3.010 2.760 2.665 2.855 . 0 0 "[ . 1 . 2]" 1
587 1 44 THR HA 1 44 THR MG . . 3.290 1.969 1.944 2.013 . 0 0 "[ . 1 . 2]" 1
588 1 44 THR HA 1 45 VAL H . . 2.700 2.215 2.203 2.236 . 0 0 "[ . 1 . 2]" 1
589 1 44 THR HA 1 45 VAL MG2 . . 4.300 3.552 3.376 3.788 . 0 0 "[ . 1 . 2]" 1
590 1 44 THR HB 1 45 VAL H . . 3.300 3.149 2.974 3.305 0.005 4 0 "[ . 1 . 2]" 1
591 1 44 THR HB 1 53 ASP H . . 5.130 3.822 3.443 4.146 . 0 0 "[ . 1 . 2]" 1
592 1 44 THR HB 1 53 ASP HB2 . . 3.840 3.775 2.846 3.900 0.060 18 0 "[ . 1 . 2]" 1
593 1 44 THR MG 1 45 VAL H . . 4.030 3.117 2.859 3.388 . 0 0 "[ . 1 . 2]" 1
594 1 44 THR MG 1 53 ASP H . . 5.500 4.889 4.738 5.062 . 0 0 "[ . 1 . 2]" 1
595 1 44 THR MG 1 53 ASP HB3 . . 4.550 4.536 4.248 4.631 0.081 18 0 "[ . 1 . 2]" 1
596 1 45 VAL H 1 45 VAL HB . . 3.500 2.855 2.786 2.909 . 0 0 "[ . 1 . 2]" 1
597 1 45 VAL H 1 45 VAL MG2 . . 3.680 3.003 2.805 3.223 . 0 0 "[ . 1 . 2]" 1
598 1 45 VAL H 1 46 ASP HA . . 4.880 4.686 4.656 4.734 . 0 0 "[ . 1 . 2]" 1
599 1 45 VAL HA 1 45 VAL MG1 . . 3.600 2.361 2.296 2.407 . 0 0 "[ . 1 . 2]" 1
600 1 45 VAL HA 1 45 VAL MG2 . . 3.180 2.332 2.212 2.437 . 0 0 "[ . 1 . 2]" 1
601 1 45 VAL HA 1 46 ASP H . . 2.640 2.146 2.144 2.154 . 0 0 "[ . 1 . 2]" 1
602 1 45 VAL HA 1 52 VAL H . . 5.010 4.906 4.740 5.042 0.032 18 0 "[ . 1 . 2]" 1
603 1 45 VAL HA 1 52 VAL HA . . 3.210 2.439 2.289 2.626 . 0 0 "[ . 1 . 2]" 1
604 1 45 VAL HA 1 52 VAL QG . . 4.540 2.791 2.117 3.449 . 0 0 "[ . 1 . 2]" 1
605 1 45 VAL HA 1 53 ASP H . . 4.530 3.813 3.683 3.976 . 0 0 "[ . 1 . 2]" 1
606 1 45 VAL HB 1 46 ASP H . . 4.920 4.197 4.145 4.225 . 0 0 "[ . 1 . 2]" 1
607 1 45 VAL MG1 1 46 ASP H . . 3.650 2.662 2.358 2.723 . 0 0 "[ . 1 . 2]" 1
608 1 45 VAL MG1 1 47 THR H . . 4.930 4.257 4.138 4.354 . 0 0 "[ . 1 . 2]" 1
609 1 45 VAL MG1 1 47 THR HA . . 4.140 4.119 3.976 4.209 0.069 17 0 "[ . 1 . 2]" 1
610 1 45 VAL MG1 1 47 THR MG . . 3.940 3.910 3.784 3.952 0.012 5 0 "[ . 1 . 2]" 1
611 1 45 VAL MG1 1 50 ASN H . . 5.500 5.306 5.005 5.489 . 0 0 "[ . 1 . 2]" 1
612 1 45 VAL MG1 1 50 ASN HA . . 4.460 4.225 3.836 4.481 0.021 17 0 "[ . 1 . 2]" 1
613 1 45 VAL MG1 1 51 ALA H . . 5.500 4.719 4.123 5.097 . 0 0 "[ . 1 . 2]" 1
614 1 45 VAL MG1 1 52 VAL HB . . 4.660 4.056 2.690 4.671 0.011 13 0 "[ . 1 . 2]" 1
615 1 45 VAL MG2 1 52 VAL H . . 5.500 5.167 4.785 5.413 . 0 0 "[ . 1 . 2]" 1
616 1 45 VAL MG2 1 52 VAL HA . . 4.080 2.916 2.493 3.344 . 0 0 "[ . 1 . 2]" 1
617 1 45 VAL MG2 1 53 ASP H . . 5.470 3.421 3.085 3.827 . 0 0 "[ . 1 . 2]" 1
618 1 46 ASP H 1 46 ASP HB2 . . 3.480 2.540 2.312 2.851 . 0 0 "[ . 1 . 2]" 1
619 1 46 ASP H 1 46 ASP HB3 . . 3.640 3.148 2.781 3.463 . 0 0 "[ . 1 . 2]" 1
620 1 46 ASP H 1 47 THR H . . 5.050 4.411 4.366 4.468 . 0 0 "[ . 1 . 2]" 1
621 1 46 ASP H 1 50 ASN H . . 5.390 4.624 4.531 4.749 . 0 0 "[ . 1 . 2]" 1
622 1 46 ASP H 1 50 ASN HA . . 5.220 4.293 4.180 4.422 . 0 0 "[ . 1 . 2]" 1
623 1 46 ASP H 1 51 ALA H . . 3.910 3.281 3.083 3.392 . 0 0 "[ . 1 . 2]" 1
624 1 46 ASP H 1 51 ALA MB . . 4.510 3.966 3.734 4.192 . 0 0 "[ . 1 . 2]" 1
625 1 46 ASP H 1 52 VAL HA . . 4.360 3.666 3.486 3.945 . 0 0 "[ . 1 . 2]" 1
626 1 46 ASP H 1 52 VAL QG . . 5.420 3.586 3.016 4.512 . 0 0 "[ . 1 . 2]" 1
627 1 46 ASP HA 1 47 THR H . . 2.780 2.164 2.159 2.169 . 0 0 "[ . 1 . 2]" 1
628 1 46 ASP HA 1 47 THR HA . . 4.540 4.362 4.358 4.366 . 0 0 "[ . 1 . 2]" 1
629 1 46 ASP HA 1 48 TYR H . . 4.440 3.669 3.638 3.775 . 0 0 "[ . 1 . 2]" 1
630 1 46 ASP HA 1 51 ALA H . . 5.500 5.021 4.942 5.074 . 0 0 "[ . 1 . 2]" 1
631 1 46 ASP HB2 1 47 THR H . . 5.060 4.391 4.292 4.439 . 0 0 "[ . 1 . 2]" 1
632 1 46 ASP HB2 1 48 TYR H . . 5.460 4.621 4.549 4.799 . 0 0 "[ . 1 . 2]" 1
633 1 46 ASP HB2 1 49 ASN H . . 4.910 3.935 3.691 4.231 . 0 0 "[ . 1 . 2]" 1
634 1 46 ASP HB2 1 50 ASN H . . 5.080 4.565 4.163 5.047 . 0 0 "[ . 1 . 2]" 1
635 1 46 ASP HB2 1 51 ALA H . . 3.630 3.464 2.921 4.073 0.443 15 0 "[ . 1 . 2]" 1
636 1 46 ASP HB2 1 51 ALA MB . . 3.310 3.498 3.094 3.947 0.637 12 4 "[ . -1 +* * 2]" 1
637 1 46 ASP HB3 1 47 THR H . . 4.630 3.650 3.409 3.977 . 0 0 "[ . 1 . 2]" 1
638 1 46 ASP HB3 1 48 TYR H . . 5.500 3.232 2.910 3.963 . 0 0 "[ . 1 . 2]" 1
639 1 46 ASP HB3 1 49 ASN H . . 5.440 2.329 2.109 2.813 . 0 0 "[ . 1 . 2]" 1
640 1 46 ASP HB3 1 51 ALA H . . 4.430 2.943 2.469 3.246 . 0 0 "[ . 1 . 2]" 1
641 1 46 ASP HB3 1 51 ALA MB . . 3.920 3.708 3.246 3.969 0.049 6 0 "[ . 1 . 2]" 1
642 1 47 THR H 1 47 THR HG1 . . 5.040 2.261 1.951 2.915 . 0 0 "[ . 1 . 2]" 1
643 1 47 THR H 1 47 THR MG . . 3.540 3.511 3.398 3.567 0.027 6 0 "[ . 1 . 2]" 1
644 1 47 THR H 1 48 TYR H . . 3.510 2.336 2.314 2.363 . 0 0 "[ . 1 . 2]" 1
645 1 47 THR H 1 49 ASN H . . 5.300 4.171 4.115 4.287 . 0 0 "[ . 1 . 2]" 1
646 1 47 THR H 1 50 ASN H . . 5.500 4.409 4.366 4.435 . 0 0 "[ . 1 . 2]" 1
647 1 47 THR HA 1 47 THR HB . . 2.930 2.866 2.819 2.890 . 0 0 "[ . 1 . 2]" 1
648 1 47 THR HA 1 47 THR MG . . 3.110 2.136 2.112 2.147 . 0 0 "[ . 1 . 2]" 1
649 1 47 THR HA 1 50 ASN H . . 3.360 3.378 3.316 3.413 0.053 17 0 "[ . 1 . 2]" 1
650 1 47 THR HB 1 48 TYR H . . 5.150 3.414 3.298 3.484 . 0 0 "[ . 1 . 2]" 1
651 1 47 THR HB 1 49 ASN H . . 5.500 5.517 5.505 5.576 0.076 6 0 "[ . 1 . 2]" 1
652 1 47 THR HG1 1 48 TYR H . . 4.340 3.564 3.194 4.281 . 0 0 "[ . 1 . 2]" 1
653 1 47 THR MG 1 48 TYR H . . 5.270 4.363 4.320 4.382 . 0 0 "[ . 1 . 2]" 1
654 1 47 THR MG 1 50 ASN HA . . 5.140 4.559 4.434 4.622 . 0 0 "[ . 1 . 2]" 1
655 1 48 TYR H 1 48 TYR HB2 . . 3.360 2.224 2.087 2.639 . 0 0 "[ . 1 . 2]" 1
656 1 48 TYR H 1 48 TYR HB3 . . 3.340 3.088 2.523 3.340 . 0 0 "[ . 1 . 2]" 1
657 1 48 TYR H 1 48 TYR QD . . 4.940 3.714 3.205 4.221 . 0 0 "[ . 1 . 2]" 1
658 1 48 TYR H 1 49 ASN H . . 3.290 2.428 2.380 2.580 . 0 0 "[ . 1 . 2]" 1
659 1 48 TYR H 1 50 ASN H . . 4.380 3.373 3.341 3.474 . 0 0 "[ . 1 . 2]" 1
660 1 48 TYR HA 1 48 TYR HB2 . . 2.970 2.774 2.479 2.905 . 0 0 "[ . 1 . 2]" 1
661 1 48 TYR HA 1 48 TYR QD . . 3.400 2.666 2.015 3.013 . 0 0 "[ . 1 . 2]" 1
662 1 48 TYR HA 1 50 ASN H . . 5.080 4.179 4.125 4.202 . 0 0 "[ . 1 . 2]" 1
663 1 48 TYR HB2 1 49 ASN H . . 4.100 3.307 3.008 3.852 . 0 0 "[ . 1 . 2]" 1
664 1 48 TYR HB3 1 49 ASN H . . 3.550 2.826 2.590 3.073 . 0 0 "[ . 1 . 2]" 1
665 1 48 TYR QD 1 49 ASN H . . 5.210 4.460 4.062 4.633 . 0 0 "[ . 1 . 2]" 1
666 1 49 ASN H 1 49 ASN HB2 . . 3.910 2.544 2.298 3.600 . 0 0 "[ . 1 . 2]" 1
667 1 49 ASN H 1 49 ASN HB3 . . 4.090 3.562 2.557 3.709 . 0 0 "[ . 1 . 2]" 1
668 1 49 ASN H 1 49 ASN HD21 . . 5.500 4.173 2.676 5.075 . 0 0 "[ . 1 . 2]" 1
669 1 49 ASN H 1 49 ASN HD22 . . 5.500 4.716 3.049 5.750 0.250 9 0 "[ . 1 . 2]" 1
670 1 49 ASN H 1 50 ASN H . . 3.040 2.173 2.155 2.256 . 0 0 "[ . 1 . 2]" 1
671 1 49 ASN H 1 51 ALA H . . 4.710 3.663 3.625 3.711 . 0 0 "[ . 1 . 2]" 1
672 1 49 ASN H 1 51 ALA MB . . 5.310 4.603 4.537 4.655 . 0 0 "[ . 1 . 2]" 1
673 1 49 ASN HA 1 49 ASN HB3 . . 2.970 2.536 2.332 3.026 0.056 9 0 "[ . 1 . 2]" 1
674 1 49 ASN HA 1 49 ASN HD22 . . 5.500 4.517 3.457 4.977 . 0 0 "[ . 1 . 2]" 1
675 1 49 ASN HB2 1 50 ASN H . . 5.160 3.546 3.429 4.270 . 0 0 "[ . 1 . 2]" 1
676 1 49 ASN HB2 1 51 ALA H . . 4.800 3.072 2.671 4.408 . 0 0 "[ . 1 . 2]" 1
677 1 49 ASN HB3 1 50 ASN H . . 5.500 4.149 3.431 4.464 . 0 0 "[ . 1 . 2]" 1
678 1 49 ASN HB3 1 51 ALA H . . 5.500 3.580 2.759 4.707 . 0 0 "[ . 1 . 2]" 1
679 1 49 ASN HD21 1 51 ALA H . . 5.500 5.002 4.373 5.470 . 0 0 "[ . 1 . 2]" 1
680 1 49 ASN HD21 1 51 ALA MB . . 4.250 3.872 3.414 4.729 0.479 6 0 "[ . 1 . 2]" 1
681 1 49 ASN HD22 1 51 ALA MB . . 5.500 5.049 3.942 5.315 . 0 0 "[ . 1 . 2]" 1
682 1 50 ASN H 1 50 ASN HA . . 2.640 2.279 2.277 2.280 . 0 0 "[ . 1 . 2]" 1
683 1 50 ASN H 1 50 ASN HB3 . . 4.150 3.877 3.610 4.061 . 0 0 "[ . 1 . 2]" 1
684 1 50 ASN H 1 51 ALA MB . . 4.830 4.426 4.399 4.448 . 0 0 "[ . 1 . 2]" 1
685 1 50 ASN HA 1 51 ALA H . . 3.320 2.927 2.865 2.973 . 0 0 "[ . 1 . 2]" 1
686 1 50 ASN HA 1 52 VAL QG . . 5.030 4.484 4.233 4.999 . 0 0 "[ . 1 . 2]" 1
687 1 50 ASN HB2 1 51 ALA H . . 5.500 4.341 4.080 4.551 . 0 0 "[ . 1 . 2]" 1
688 1 51 ALA H 1 51 ALA MB . . 3.260 2.299 2.233 2.393 . 0 0 "[ . 1 . 2]" 1
689 1 51 ALA H 1 52 VAL H . . 4.940 4.492 4.421 4.560 . 0 0 "[ . 1 . 2]" 1
690 1 51 ALA H 1 52 VAL QG . . 5.500 4.388 4.119 4.947 . 0 0 "[ . 1 . 2]" 1
691 1 51 ALA HA 1 52 VAL H . . 2.530 2.198 2.144 2.259 . 0 0 "[ . 1 . 2]" 1
692 1 51 ALA MB 1 52 VAL H . . 4.090 2.925 2.710 3.181 . 0 0 "[ . 1 . 2]" 1
693 1 51 ALA MB 1 53 ASP H . . 5.500 5.210 5.005 5.311 . 0 0 "[ . 1 . 2]" 1
694 1 52 VAL H 1 52 VAL HB . . 3.470 3.205 2.703 3.802 0.332 6 0 "[ . 1 . 2]" 1
695 1 52 VAL H 1 52 VAL QG . . 3.960 2.419 1.984 2.907 . 0 0 "[ . 1 . 2]" 1
696 1 52 VAL H 1 53 ASP H . . 4.900 4.426 4.332 4.492 . 0 0 "[ . 1 . 2]" 1
697 1 52 VAL HA 1 53 ASP H . . 2.700 2.213 2.172 2.231 . 0 0 "[ . 1 . 2]" 1
698 1 52 VAL HB 1 53 ASP H . . 4.540 3.597 2.875 4.100 . 0 0 "[ . 1 . 2]" 1
699 1 52 VAL QG 1 53 ASP H . . 3.900 2.561 1.977 3.367 . 0 0 "[ . 1 . 2]" 1
700 1 52 VAL QG 1 54 CYS H . . 5.460 3.963 3.620 4.836 . 0 0 "[ . 1 . 2]" 1
701 1 53 ASP H 1 53 ASP HB2 . . 3.690 2.735 2.550 2.906 . 0 0 "[ . 1 . 2]" 1
702 1 53 ASP H 1 53 ASP HB3 . . 3.810 3.330 3.119 3.580 . 0 0 "[ . 1 . 2]" 1
703 1 53 ASP HA 1 54 CYS H . . 2.590 2.144 2.139 2.174 . 0 0 "[ . 1 . 2]" 1
704 1 53 ASP HA 1 54 CYS QB . . 4.790 4.329 4.004 4.567 . 0 0 "[ . 1 . 2]" 1
705 1 53 ASP HB2 1 54 CYS H . . 4.900 4.516 4.384 4.591 . 0 0 "[ . 1 . 2]" 1
706 1 53 ASP HB3 1 54 CYS H . . 4.510 3.793 3.486 3.989 . 0 0 "[ . 1 . 2]" 1
707 1 54 CYS H 1 54 CYS QB . . 3.650 2.561 2.235 2.989 . 0 0 "[ . 1 . 2]" 1
708 1 54 CYS H 1 55 ASP H . . 4.480 4.486 4.287 4.547 0.067 11 0 "[ . 1 . 2]" 1
709 1 54 CYS H 1 55 ASP HA . . 5.360 5.274 4.990 5.867 0.507 17 1 "[ . 1 . + 2]" 1
710 1 54 CYS QB 1 55 ASP H . . 3.920 3.185 2.767 3.822 . 0 0 "[ . 1 . 2]" 1
711 1 55 ASP H 1 55 ASP HB2 . . 3.330 2.320 2.074 3.583 0.253 17 0 "[ . 1 . 2]" 1
712 1 55 ASP H 1 55 ASP HB3 . . 3.540 3.241 2.355 3.713 0.173 3 0 "[ . 1 . 2]" 1
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