NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574788 |
2m8i   |
19258 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m8i
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 699
_Distance_constraint_stats_list.Viol_count 1853
_Distance_constraint_stats_list.Viol_total 1883.943
_Distance_constraint_stats_list.Viol_max 0.121
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0508
_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 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 HIS 0.171 0.066 7 0 "[ . 1 . 2]"
1 5 MET 0.570 0.069 3 0 "[ . 1 . 2]"
1 6 ALA 1.600 0.092 10 0 "[ . 1 . 2]"
1 7 ASP 2.870 0.080 8 0 "[ . 1 . 2]"
1 8 GLU 1.607 0.096 7 0 "[ . 1 . 2]"
1 9 GLU 2.166 0.081 7 0 "[ . 1 . 2]"
1 10 LYS 2.827 0.085 20 0 "[ . 1 . 2]"
1 11 LEU 8.259 0.121 14 0 "[ . 1 . 2]"
1 12 PRO 5.261 0.085 6 0 "[ . 1 . 2]"
1 13 PRO 0.237 0.049 13 0 "[ . 1 . 2]"
1 14 GLY 0.269 0.044 7 0 "[ . 1 . 2]"
1 15 TRP 11.387 0.085 8 0 "[ . 1 . 2]"
1 16 GLU 6.424 0.083 10 0 "[ . 1 . 2]"
1 17 LYS 10.198 0.100 4 0 "[ . 1 . 2]"
1 18 ARG 5.765 0.079 19 0 "[ . 1 . 2]"
1 19 MET 8.538 0.089 13 0 "[ . 1 . 2]"
1 20 SER 3.380 0.072 9 0 "[ . 1 . 2]"
1 21 ARG 0.105 0.066 16 0 "[ . 1 . 2]"
1 24 GLY 1.880 0.087 19 0 "[ . 1 . 2]"
1 25 ARG 4.830 0.087 19 0 "[ . 1 . 2]"
1 26 VAL 3.641 0.089 13 0 "[ . 1 . 2]"
1 27 TYR 10.030 0.081 14 0 "[ . 1 . 2]"
1 28 TYR 7.319 0.100 4 0 "[ . 1 . 2]"
1 29 PHE 7.272 0.084 10 0 "[ . 1 . 2]"
1 30 ASN 7.697 0.083 1 0 "[ . 1 . 2]"
1 31 HIS 5.938 0.072 16 0 "[ . 1 . 2]"
1 32 ILE 6.974 0.098 10 0 "[ . 1 . 2]"
1 33 THR 8.638 0.098 10 0 "[ . 1 . 2]"
1 34 ASN 5.653 0.094 7 0 "[ . 1 . 2]"
1 35 ALA 6.006 0.094 7 0 "[ . 1 . 2]"
1 36 SER 6.015 0.083 1 0 "[ . 1 . 2]"
1 37 GLN 6.084 0.121 14 0 "[ . 1 . 2]"
1 38 TRP 4.783 0.073 6 0 "[ . 1 . 2]"
1 39 GLU 1.177 0.061 4 0 "[ . 1 . 2]"
1 40 ARG 3.328 0.081 13 0 "[ . 1 . 2]"
1 41 PRO 6.310 0.076 1 0 "[ . 1 . 2]"
1 42 SER 1.762 0.073 9 0 "[ . 1 . 2]"
1 43 GLY 2.245 0.074 1 0 "[ . 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 2 LEU QB 1 3 GLU H . . 4.460 3.231 2.195 4.089 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 3 GLU QB . . 3.910 2.587 2.120 3.337 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 3 GLU HG2 . . 4.820 3.497 2.006 4.720 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU HG3 . . 4.820 3.550 1.981 4.715 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU HA 1 3 GLU QG . . 3.630 2.819 2.320 3.583 . 0 0 "[ . 1 . 2]" 1
6 1 4 HIS HA 1 6 ALA H . . 5.500 4.795 3.267 5.566 0.066 7 0 "[ . 1 . 2]" 1
7 1 4 HIS QB 1 5 MET H . . 5.120 3.067 2.070 3.905 . 0 0 "[ . 1 . 2]" 1
8 1 5 MET H 1 5 MET QG . . 5.060 2.950 2.262 4.327 . 0 0 "[ . 1 . 2]" 1
9 1 5 MET HA 1 6 ALA H . . 3.220 2.326 2.031 3.271 0.051 14 0 "[ . 1 . 2]" 1
10 1 5 MET HA 1 7 ASP H . . 5.500 4.629 3.468 5.540 0.040 11 0 "[ . 1 . 2]" 1
11 1 5 MET HB2 1 6 ALA H . . 4.580 4.408 3.906 4.622 0.042 20 0 "[ . 1 . 2]" 1
12 1 5 MET HB2 1 7 ASP H . . 5.500 4.938 3.263 5.569 0.069 3 0 "[ . 1 . 2]" 1
13 1 5 MET HB3 1 6 ALA H . . 4.580 4.150 3.540 4.513 . 0 0 "[ . 1 . 2]" 1
14 1 5 MET HB3 1 7 ASP H . . 5.500 4.635 3.857 5.560 0.060 19 0 "[ . 1 . 2]" 1
15 1 6 ALA H 1 6 ALA MB . . 3.270 2.307 2.190 2.606 . 0 0 "[ . 1 . 2]" 1
16 1 6 ALA H 1 7 ASP HA . . 5.500 5.072 4.363 5.561 0.061 12 0 "[ . 1 . 2]" 1
17 1 6 ALA HA 1 7 ASP H . . 3.050 2.385 2.139 2.868 . 0 0 "[ . 1 . 2]" 1
18 1 6 ALA MB 1 7 ASP H . . 3.640 3.649 3.402 3.720 0.080 8 0 "[ . 1 . 2]" 1
19 1 6 ALA MB 1 8 GLU QG . . 4.750 4.094 2.705 4.842 0.092 10 0 "[ . 1 . 2]" 1
20 1 6 ALA MB 1 9 GLU H . . 4.760 4.082 3.130 4.841 0.081 7 0 "[ . 1 . 2]" 1
21 1 7 ASP H 1 7 ASP HB2 . . 3.710 3.003 2.390 3.780 0.070 1 0 "[ . 1 . 2]" 1
22 1 7 ASP H 1 7 ASP QB . . 3.180 2.543 2.250 3.061 . 0 0 "[ . 1 . 2]" 1
23 1 7 ASP H 1 7 ASP HB3 . . 3.710 3.144 2.321 3.756 0.046 11 0 "[ . 1 . 2]" 1
24 1 7 ASP H 1 8 GLU HB2 . . 5.500 5.496 5.328 5.574 0.074 15 0 "[ . 1 . 2]" 1
25 1 7 ASP H 1 8 GLU HB3 . . 5.500 4.256 4.012 4.588 . 0 0 "[ . 1 . 2]" 1
26 1 7 ASP H 1 8 GLU QG . . 5.500 3.700 3.027 4.810 . 0 0 "[ . 1 . 2]" 1
27 1 7 ASP HA 1 9 GLU H . . 4.560 3.632 3.302 4.351 . 0 0 "[ . 1 . 2]" 1
28 1 7 ASP HB2 1 9 GLU H . . 5.500 5.295 4.841 5.574 0.074 19 0 "[ . 1 . 2]" 1
29 1 7 ASP HB3 1 9 GLU H . . 5.500 5.229 4.811 5.569 0.069 18 0 "[ . 1 . 2]" 1
30 1 8 GLU H 1 8 GLU QG . . 4.550 2.336 1.829 3.037 . 0 0 "[ . 1 . 2]" 1
31 1 8 GLU HA 1 8 GLU QG . . 3.790 3.446 3.367 3.551 . 0 0 "[ . 1 . 2]" 1
32 1 8 GLU HA 1 11 LEU QD . . 5.380 4.228 2.825 5.476 0.096 7 0 "[ . 1 . 2]" 1
33 1 8 GLU QG 1 9 GLU H . . 3.580 2.895 2.293 3.426 . 0 0 "[ . 1 . 2]" 1
34 1 8 GLU QG 1 9 GLU HA . . 4.330 3.971 3.489 4.403 0.073 9 0 "[ . 1 . 2]" 1
35 1 8 GLU QG 1 11 LEU QD . . 5.500 4.813 2.500 5.594 0.094 9 0 "[ . 1 . 2]" 1
36 1 9 GLU H 1 9 GLU HB2 . . 3.750 2.723 2.095 3.730 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLU H 1 9 GLU QB . . 3.050 2.466 2.068 3.120 0.070 11 0 "[ . 1 . 2]" 1
38 1 9 GLU H 1 9 GLU HB3 . . 3.750 3.205 2.393 3.804 0.054 1 0 "[ . 1 . 2]" 1
39 1 9 GLU H 1 11 LEU QD . . 5.500 4.808 3.483 5.578 0.078 18 0 "[ . 1 . 2]" 1
40 1 9 GLU H 1 17 LYS QG . . 5.500 4.921 3.577 5.566 0.066 1 0 "[ . 1 . 2]" 1
41 1 9 GLU HA 1 10 LYS H . . 3.070 2.999 2.322 3.144 0.074 18 0 "[ . 1 . 2]" 1
42 1 9 GLU QB 1 10 LYS H . . 4.050 3.742 3.270 4.028 . 0 0 "[ . 1 . 2]" 1
43 1 9 GLU HB2 1 10 LYS H . . 4.600 4.215 3.478 4.650 0.050 9 0 "[ . 1 . 2]" 1
44 1 9 GLU HB3 1 10 LYS H . . 4.600 4.258 3.726 4.621 0.021 3 0 "[ . 1 . 2]" 1
45 1 10 LYS H 1 10 LYS QB . . 2.950 2.513 2.001 3.035 0.085 20 0 "[ . 1 . 2]" 1
46 1 10 LYS H 1 10 LYS QE . . 4.800 4.141 3.152 4.860 0.060 17 0 "[ . 1 . 2]" 1
47 1 10 LYS H 1 10 LYS QG . . 3.780 2.945 2.159 3.858 0.078 10 0 "[ . 1 . 2]" 1
48 1 10 LYS H 1 11 LEU H . . 3.910 2.726 1.898 3.293 . 0 0 "[ . 1 . 2]" 1
49 1 10 LYS H 1 11 LEU QD . . 4.810 3.506 2.433 4.418 . 0 0 "[ . 1 . 2]" 1
50 1 10 LYS H 1 11 LEU HG . . 5.500 4.813 3.622 5.568 0.068 5 0 "[ . 1 . 2]" 1
51 1 10 LYS H 1 17 LYS QG . . 5.500 5.352 4.581 5.579 0.079 19 0 "[ . 1 . 2]" 1
52 1 10 LYS HA 1 10 LYS QG . . 3.780 2.722 2.068 3.536 . 0 0 "[ . 1 . 2]" 1
53 1 10 LYS HA 1 11 LEU H . . 3.430 3.160 2.429 3.487 0.057 18 0 "[ . 1 . 2]" 1
54 1 10 LYS HA 1 11 LEU QD . . 5.500 4.704 4.165 5.247 . 0 0 "[ . 1 . 2]" 1
55 1 10 LYS QE 1 11 LEU H . . 5.500 5.087 4.154 5.581 0.081 13 0 "[ . 1 . 2]" 1
56 1 11 LEU H 1 11 LEU HB2 . . 2.700 2.338 1.989 2.744 0.044 11 0 "[ . 1 . 2]" 1
57 1 11 LEU H 1 11 LEU HB3 . . 3.640 3.477 3.303 3.632 . 0 0 "[ . 1 . 2]" 1
58 1 11 LEU H 1 11 LEU QD . . 3.520 2.473 1.891 3.099 . 0 0 "[ . 1 . 2]" 1
59 1 11 LEU H 1 11 LEU HG . . 3.890 2.936 2.027 3.798 . 0 0 "[ . 1 . 2]" 1
60 1 11 LEU H 1 12 PRO HD2 . . 5.000 4.736 4.643 4.910 . 0 0 "[ . 1 . 2]" 1
61 1 11 LEU H 1 12 PRO HD3 . . 5.500 4.974 4.839 5.088 . 0 0 "[ . 1 . 2]" 1
62 1 11 LEU H 1 28 TYR QE . . 5.460 5.505 5.096 5.545 0.085 4 0 "[ . 1 . 2]" 1
63 1 11 LEU H 1 41 PRO HG2 . . 5.500 5.565 5.550 5.576 0.076 1 0 "[ . 1 . 2]" 1
64 1 11 LEU HA 1 11 LEU QD . . 3.270 2.452 2.054 2.861 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU HA 1 12 PRO HD2 . . 3.490 2.475 2.263 2.678 . 0 0 "[ . 1 . 2]" 1
66 1 11 LEU HA 1 12 PRO HD3 . . 3.830 2.288 2.165 2.399 . 0 0 "[ . 1 . 2]" 1
67 1 11 LEU HB2 1 11 LEU QD . . 3.190 2.237 2.168 2.358 . 0 0 "[ . 1 . 2]" 1
68 1 11 LEU HB2 1 12 PRO HD3 . . 5.280 4.692 4.546 4.788 . 0 0 "[ . 1 . 2]" 1
69 1 11 LEU HB2 1 15 TRP HB2 . . 4.660 3.538 3.059 3.885 . 0 0 "[ . 1 . 2]" 1
70 1 11 LEU HB2 1 15 TRP HB3 . . 5.130 3.962 3.446 4.256 . 0 0 "[ . 1 . 2]" 1
71 1 11 LEU HB2 1 16 GLU H . . 5.500 5.345 5.010 5.560 0.060 8 0 "[ . 1 . 2]" 1
72 1 11 LEU HB3 1 12 PRO HD2 . . 4.240 2.117 2.027 2.248 . 0 0 "[ . 1 . 2]" 1
73 1 11 LEU HB3 1 12 PRO HD3 . . 4.200 3.529 3.411 3.653 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU HB3 1 15 TRP H . . 4.720 4.353 4.025 4.608 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU HB3 1 15 TRP HB2 . . 4.550 2.282 2.067 2.466 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU HB3 1 15 TRP HB3 . . 4.800 2.934 2.463 3.225 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU HB3 1 16 GLU H . . 5.420 4.940 4.536 5.224 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU QD 1 12 PRO HD2 . . 3.780 2.876 2.705 3.062 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU QD 1 12 PRO HD3 . . 3.850 3.698 3.248 3.935 0.085 6 0 "[ . 1 . 2]" 1
80 1 11 LEU QD 1 12 PRO HG3 . . 4.730 4.734 4.566 4.812 0.082 7 0 "[ . 1 . 2]" 1
81 1 11 LEU QD 1 15 TRP H . . 4.870 4.620 4.388 4.889 0.019 14 0 "[ . 1 . 2]" 1
82 1 11 LEU QD 1 15 TRP HB2 . . 4.510 2.790 2.456 3.228 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU QD 1 15 TRP HB3 . . 5.060 2.115 2.019 2.525 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU QD 1 16 GLU H . . 4.730 3.320 2.831 3.787 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU QD 1 16 GLU HA . . 4.680 3.643 2.665 4.482 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU QD 1 17 LYS H . . 4.220 3.269 2.489 4.034 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU QD 1 17 LYS HB2 . . 4.890 2.391 2.082 2.974 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU QD 1 17 LYS HB3 . . 4.870 3.730 3.373 4.290 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU QD 1 17 LYS QE . . 5.030 4.578 3.572 5.091 0.061 10 0 "[ . 1 . 2]" 1
90 1 11 LEU QD 1 17 LYS QG . . 3.750 2.701 2.358 3.136 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU QD 1 28 TYR H . . 4.930 4.616 4.425 4.796 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU QD 1 28 TYR QE . . 3.530 2.378 2.115 2.763 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU QD 1 29 PHE H . . 4.840 3.632 3.180 4.268 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU QD 1 37 GLN H . . 5.500 5.603 5.590 5.621 0.121 14 0 "[ . 1 . 2]" 1
95 1 11 LEU QD 1 40 ARG HA . . 4.270 3.403 3.148 3.744 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU QD 1 40 ARG QB . . 4.760 4.092 3.537 4.788 0.028 6 0 "[ . 1 . 2]" 1
97 1 11 LEU QD 1 40 ARG HG2 . . 4.690 3.403 2.551 4.250 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU QD 1 40 ARG QG . . 4.070 3.076 2.475 3.570 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU QD 1 40 ARG HG3 . . 4.690 3.819 2.545 4.740 0.050 1 0 "[ . 1 . 2]" 1
100 1 11 LEU QD 1 41 PRO HD2 . . 4.210 2.275 1.973 2.785 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU QD 1 41 PRO QD . . 3.490 2.125 1.930 2.385 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU QD 1 41 PRO HD3 . . 4.210 2.615 2.378 2.825 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU QD 1 41 PRO HG2 . . 4.000 2.713 2.416 2.972 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU QD 1 41 PRO HG3 . . 4.030 2.158 1.988 2.461 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU HG 1 15 TRP HB2 . . 5.140 4.713 4.202 5.185 0.045 12 0 "[ . 1 . 2]" 1
106 1 11 LEU HG 1 15 TRP HB3 . . 4.940 4.663 4.386 4.989 0.049 14 0 "[ . 1 . 2]" 1
107 1 12 PRO HA 1 13 PRO HD2 . . 3.660 2.562 2.322 2.783 . 0 0 "[ . 1 . 2]" 1
108 1 12 PRO HA 1 13 PRO QD . . 3.160 2.314 2.160 2.448 . 0 0 "[ . 1 . 2]" 1
109 1 12 PRO HA 1 13 PRO HD3 . . 3.660 2.641 2.487 2.748 . 0 0 "[ . 1 . 2]" 1
110 1 12 PRO HA 1 13 PRO QG . . 4.720 4.238 4.089 4.384 . 0 0 "[ . 1 . 2]" 1
111 1 12 PRO HB2 1 13 PRO HD2 . . 4.190 2.292 2.098 2.682 . 0 0 "[ . 1 . 2]" 1
112 1 12 PRO HB2 1 13 PRO QD . . 3.660 2.273 2.085 2.647 . 0 0 "[ . 1 . 2]" 1
113 1 12 PRO HB2 1 13 PRO HD3 . . 4.190 3.785 3.584 4.059 . 0 0 "[ . 1 . 2]" 1
114 1 12 PRO HB2 1 15 TRP H . . 4.900 4.936 4.792 4.962 0.062 2 0 "[ . 1 . 2]" 1
115 1 12 PRO HB2 1 15 TRP HD1 . . 4.260 3.710 3.566 3.805 . 0 0 "[ . 1 . 2]" 1
116 1 12 PRO HB2 1 15 TRP HE1 . . 5.200 4.964 4.630 5.258 0.058 15 0 "[ . 1 . 2]" 1
117 1 12 PRO HB2 1 42 SER H . . 5.500 5.566 5.555 5.573 0.073 9 0 "[ . 1 . 2]" 1
118 1 12 PRO HB2 1 43 GLY H . . 4.620 3.335 2.852 3.644 . 0 0 "[ . 1 . 2]" 1
119 1 12 PRO HB2 1 43 GLY QA . . 4.460 2.540 2.091 3.601 . 0 0 "[ . 1 . 2]" 1
120 1 12 PRO HB3 1 13 PRO HD2 . . 4.290 3.054 2.884 3.297 . 0 0 "[ . 1 . 2]" 1
121 1 12 PRO HB3 1 13 PRO QD . . 3.660 2.986 2.830 3.202 . 0 0 "[ . 1 . 2]" 1
122 1 12 PRO HB3 1 13 PRO HD3 . . 4.290 4.219 4.061 4.339 0.049 13 0 "[ . 1 . 2]" 1
123 1 12 PRO HB3 1 15 TRP HD1 . . 4.910 4.929 4.845 4.967 0.057 15 0 "[ . 1 . 2]" 1
124 1 12 PRO HB3 1 43 GLY QA . . 4.740 2.729 2.249 3.944 . 0 0 "[ . 1 . 2]" 1
125 1 12 PRO HD2 1 15 TRP H . . 4.980 4.706 4.420 4.959 . 0 0 "[ . 1 . 2]" 1
126 1 12 PRO HD2 1 15 TRP HD1 . . 4.780 3.690 3.480 3.953 . 0 0 "[ . 1 . 2]" 1
127 1 12 PRO HD2 1 15 TRP HE1 . . 5.220 4.903 4.646 5.227 0.007 15 0 "[ . 1 . 2]" 1
128 1 12 PRO HD2 1 41 PRO HG2 . . 4.670 2.095 1.999 2.241 . 0 0 "[ . 1 . 2]" 1
129 1 12 PRO HD3 1 15 TRP HD1 . . 5.070 4.925 4.758 5.074 0.004 17 0 "[ . 1 . 2]" 1
130 1 12 PRO HD3 1 41 PRO HB2 . . 4.890 3.594 3.376 3.880 . 0 0 "[ . 1 . 2]" 1
131 1 12 PRO HD3 1 41 PRO HG2 . . 4.540 2.395 2.140 2.594 . 0 0 "[ . 1 . 2]" 1
132 1 12 PRO HD3 1 41 PRO HG3 . . 4.980 3.740 3.438 3.983 . 0 0 "[ . 1 . 2]" 1
133 1 12 PRO HD3 1 42 SER H . . 5.500 4.679 4.416 4.849 . 0 0 "[ . 1 . 2]" 1
134 1 12 PRO HD3 1 43 GLY H . . 4.700 3.208 2.803 3.704 . 0 0 "[ . 1 . 2]" 1
135 1 12 PRO HG2 1 15 TRP H . . 3.890 3.920 3.782 3.955 0.065 9 0 "[ . 1 . 2]" 1
136 1 12 PRO HG2 1 15 TRP HB3 . . 5.500 4.535 4.153 4.857 . 0 0 "[ . 1 . 2]" 1
137 1 12 PRO HG2 1 15 TRP HD1 . . 4.750 2.084 2.017 2.135 . 0 0 "[ . 1 . 2]" 1
138 1 12 PRO HG2 1 15 TRP HE1 . . 4.350 3.445 3.144 3.788 . 0 0 "[ . 1 . 2]" 1
139 1 12 PRO HG2 1 43 GLY H . . 4.160 3.638 3.180 4.019 . 0 0 "[ . 1 . 2]" 1
140 1 12 PRO HG2 1 43 GLY QA . . 4.490 3.775 3.141 4.556 0.066 6 0 "[ . 1 . 2]" 1
141 1 12 PRO HG3 1 15 TRP HD1 . . 4.540 3.621 3.490 3.711 . 0 0 "[ . 1 . 2]" 1
142 1 12 PRO HG3 1 15 TRP HE1 . . 4.080 3.904 3.683 4.126 0.046 15 0 "[ . 1 . 2]" 1
143 1 12 PRO HG3 1 41 PRO HB2 . . 4.670 2.391 2.199 2.671 . 0 0 "[ . 1 . 2]" 1
144 1 12 PRO HG3 1 42 SER H . . 5.500 3.260 3.187 3.345 . 0 0 "[ . 1 . 2]" 1
145 1 12 PRO HG3 1 43 GLY H . . 4.120 1.993 1.700 2.337 . 0 0 "[ . 1 . 2]" 1
146 1 12 PRO HG3 1 43 GLY QA . . 4.570 2.994 2.600 3.786 . 0 0 "[ . 1 . 2]" 1
147 1 13 PRO HA 1 14 GLY H . . 3.130 2.233 2.086 2.415 . 0 0 "[ . 1 . 2]" 1
148 1 13 PRO HA 1 14 GLY HA2 . . 4.930 4.434 4.312 4.549 . 0 0 "[ . 1 . 2]" 1
149 1 13 PRO HA 1 14 GLY QA . . 4.300 3.995 3.908 4.088 . 0 0 "[ . 1 . 2]" 1
150 1 13 PRO HA 1 14 GLY HA3 . . 4.930 4.539 4.467 4.632 . 0 0 "[ . 1 . 2]" 1
151 1 13 PRO HA 1 15 TRP H . . 3.830 3.388 3.226 3.584 . 0 0 "[ . 1 . 2]" 1
152 1 13 PRO QB 1 14 GLY H . . 3.790 3.041 2.637 3.449 . 0 0 "[ . 1 . 2]" 1
153 1 13 PRO QB 1 15 TRP H . . 5.340 4.689 4.481 4.967 . 0 0 "[ . 1 . 2]" 1
154 1 13 PRO HB2 1 14 GLY H . . 4.340 3.226 2.719 3.717 . 0 0 "[ . 1 . 2]" 1
155 1 13 PRO HB3 1 14 GLY H . . 4.340 3.759 3.526 4.090 . 0 0 "[ . 1 . 2]" 1
156 1 13 PRO QD 1 14 GLY H . . 4.960 4.928 4.849 4.998 0.038 7 0 "[ . 1 . 2]" 1
157 1 14 GLY H 1 15 TRP H . . 3.480 2.745 2.319 3.102 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLY H 1 15 TRP HD1 . . 5.440 5.101 4.619 5.480 0.040 5 0 "[ . 1 . 2]" 1
159 1 14 GLY H 1 32 ILE HB . . 5.500 5.280 4.874 5.544 0.044 7 0 "[ . 1 . 2]" 1
160 1 14 GLY H 1 32 ILE MD . . 4.710 3.861 3.643 4.047 . 0 0 "[ . 1 . 2]" 1
161 1 14 GLY H 1 32 ILE HG12 . . 5.500 4.609 4.102 5.144 . 0 0 "[ . 1 . 2]" 1
162 1 14 GLY QA 1 32 ILE H . . 4.470 3.524 3.294 3.828 . 0 0 "[ . 1 . 2]" 1
163 1 14 GLY QA 1 32 ILE HB . . 4.990 2.508 2.230 2.873 . 0 0 "[ . 1 . 2]" 1
164 1 14 GLY QA 1 32 ILE MD . . 3.630 1.994 1.885 2.123 . 0 0 "[ . 1 . 2]" 1
165 1 14 GLY QA 1 32 ILE HG13 . . 4.470 3.825 3.639 4.157 . 0 0 "[ . 1 . 2]" 1
166 1 14 GLY HA2 1 32 ILE MD . . 4.190 2.037 1.926 2.146 . 0 0 "[ . 1 . 2]" 1
167 1 14 GLY HA2 1 32 ILE HG12 . . 4.760 2.873 2.400 3.725 . 0 0 "[ . 1 . 2]" 1
168 1 14 GLY HA2 1 32 ILE HG13 . . 5.070 4.232 3.905 4.811 . 0 0 "[ . 1 . 2]" 1
169 1 14 GLY HA3 1 32 ILE MD . . 4.190 2.916 2.294 3.366 . 0 0 "[ . 1 . 2]" 1
170 1 14 GLY HA3 1 32 ILE HG12 . . 4.760 2.822 2.453 3.379 . 0 0 "[ . 1 . 2]" 1
171 1 14 GLY HA3 1 32 ILE HG13 . . 5.070 4.417 4.055 4.996 . 0 0 "[ . 1 . 2]" 1
172 1 15 TRP H 1 15 TRP HB2 . . 2.970 2.425 2.357 2.533 . 0 0 "[ . 1 . 2]" 1
173 1 15 TRP H 1 15 TRP HB3 . . 3.600 3.625 3.581 3.653 0.053 10 0 "[ . 1 . 2]" 1
174 1 15 TRP H 1 15 TRP HD1 . . 3.190 2.848 2.639 3.071 . 0 0 "[ . 1 . 2]" 1
175 1 15 TRP H 1 15 TRP HE1 . . 5.500 5.324 5.074 5.559 0.059 15 0 "[ . 1 . 2]" 1
176 1 15 TRP H 1 16 GLU H . . 4.700 4.509 4.422 4.628 . 0 0 "[ . 1 . 2]" 1
177 1 15 TRP H 1 16 GLU HG2 . . 5.500 5.278 4.678 5.559 0.059 13 0 "[ . 1 . 2]" 1
178 1 15 TRP H 1 31 HIS H . . 5.500 5.228 4.969 5.565 0.065 16 0 "[ . 1 . 2]" 1
179 1 15 TRP H 1 32 ILE MD . . 4.780 4.838 4.672 4.861 0.081 3 0 "[ . 1 . 2]" 1
180 1 15 TRP HA 1 15 TRP HE1 . . 5.430 5.330 5.166 5.429 . 0 0 "[ . 1 . 2]" 1
181 1 15 TRP HA 1 16 GLU H . . 2.800 2.268 2.152 2.451 . 0 0 "[ . 1 . 2]" 1
182 1 15 TRP HA 1 30 ASN H . . 4.530 4.247 4.042 4.463 . 0 0 "[ . 1 . 2]" 1
183 1 15 TRP HA 1 30 ASN HA . . 3.660 1.980 1.856 2.211 . 0 0 "[ . 1 . 2]" 1
184 1 15 TRP HA 1 31 HIS H . . 3.560 3.261 2.991 3.618 0.058 7 0 "[ . 1 . 2]" 1
185 1 15 TRP HB2 1 15 TRP HE1 . . 4.920 4.832 4.752 4.961 0.041 10 0 "[ . 1 . 2]" 1
186 1 15 TRP HB2 1 16 GLU H . . 3.860 3.732 3.445 3.899 0.039 15 0 "[ . 1 . 2]" 1
187 1 15 TRP HB2 1 29 PHE H . . 5.500 5.551 5.494 5.584 0.084 10 0 "[ . 1 . 2]" 1
188 1 15 TRP HB3 1 15 TRP HE3 . . 4.140 2.550 2.495 2.639 . 0 0 "[ . 1 . 2]" 1
189 1 15 TRP HB3 1 16 GLU H . . 3.530 2.434 2.163 2.629 . 0 0 "[ . 1 . 2]" 1
190 1 15 TRP HB3 1 17 LYS H . . 5.130 5.158 4.992 5.205 0.075 2 0 "[ . 1 . 2]" 1
191 1 15 TRP HB3 1 41 PRO HG3 . . 4.700 3.284 3.062 3.537 . 0 0 "[ . 1 . 2]" 1
192 1 15 TRP HE1 1 30 ASN HB2 . . 4.140 3.905 3.801 4.081 . 0 0 "[ . 1 . 2]" 1
193 1 15 TRP HE1 1 30 ASN HB3 . . 5.000 5.054 4.983 5.075 0.075 10 0 "[ . 1 . 2]" 1
194 1 15 TRP HE1 1 35 ALA MB . . 4.950 4.935 4.443 5.035 0.085 8 0 "[ . 1 . 2]" 1
195 1 15 TRP HE1 1 41 PRO HA . . 5.050 4.991 4.788 5.108 0.058 6 0 "[ . 1 . 2]" 1
196 1 15 TRP HE1 1 41 PRO HB2 . . 4.010 3.107 2.888 3.275 . 0 0 "[ . 1 . 2]" 1
197 1 15 TRP HE1 1 41 PRO HB3 . . 4.200 3.326 2.876 3.677 . 0 0 "[ . 1 . 2]" 1
198 1 15 TRP HE1 1 41 PRO HG2 . . 5.140 5.051 4.723 5.208 0.068 13 0 "[ . 1 . 2]" 1
199 1 15 TRP HE1 1 41 PRO HG3 . . 4.660 4.286 3.711 4.664 0.004 11 0 "[ . 1 . 2]" 1
200 1 15 TRP HE1 1 43 GLY H . . 5.500 5.321 4.264 5.569 0.069 10 0 "[ . 1 . 2]" 1
201 1 15 TRP HE3 1 16 GLU H . . 3.370 3.202 2.995 3.453 0.083 10 0 "[ . 1 . 2]" 1
202 1 15 TRP HE3 1 28 TYR H . . 5.140 4.975 4.739 5.129 . 0 0 "[ . 1 . 2]" 1
203 1 15 TRP HE3 1 28 TYR HB2 . . 4.260 2.943 2.237 3.203 . 0 0 "[ . 1 . 2]" 1
204 1 15 TRP HE3 1 28 TYR HB3 . . 4.730 2.246 2.122 2.406 . 0 0 "[ . 1 . 2]" 1
205 1 15 TRP HE3 1 29 PHE H . . 3.590 2.819 2.586 3.425 . 0 0 "[ . 1 . 2]" 1
206 1 15 TRP HE3 1 30 ASN H . . 3.910 3.648 3.436 3.979 0.069 10 0 "[ . 1 . 2]" 1
207 1 15 TRP HE3 1 30 ASN HB2 . . 4.880 3.633 3.419 3.771 . 0 0 "[ . 1 . 2]" 1
208 1 15 TRP HE3 1 37 GLN H . . 4.830 4.501 4.304 4.710 . 0 0 "[ . 1 . 2]" 1
209 1 15 TRP HE3 1 41 PRO HG3 . . 4.960 3.596 3.431 3.786 . 0 0 "[ . 1 . 2]" 1
210 1 15 TRP HH2 1 35 ALA MB . . 3.860 3.211 2.724 3.679 . 0 0 "[ . 1 . 2]" 1
211 1 15 TRP HH2 1 36 SER H . . 4.700 4.616 4.290 4.757 0.057 9 0 "[ . 1 . 2]" 1
212 1 15 TRP HH2 1 37 GLN QB . . 4.650 4.489 4.275 4.682 0.032 20 0 "[ . 1 . 2]" 1
213 1 15 TRP HZ2 1 30 ASN HB2 . . 5.230 3.450 3.322 3.623 . 0 0 "[ . 1 . 2]" 1
214 1 15 TRP HZ2 1 35 ALA MB . . 4.390 3.337 2.822 3.645 . 0 0 "[ . 1 . 2]" 1
215 1 15 TRP HZ2 1 41 PRO HA . . 4.560 4.382 4.095 4.616 0.056 4 0 "[ . 1 . 2]" 1
216 1 15 TRP HZ2 1 41 PRO HB2 . . 4.870 4.154 3.777 4.395 . 0 0 "[ . 1 . 2]" 1
217 1 15 TRP HZ2 1 41 PRO HB3 . . 4.710 3.074 2.823 3.344 . 0 0 "[ . 1 . 2]" 1
218 1 15 TRP HZ2 1 42 SER H . . 5.500 5.110 4.541 5.543 0.043 10 0 "[ . 1 . 2]" 1
219 1 15 TRP HZ3 1 36 SER HA . . 4.130 2.349 2.124 2.710 . 0 0 "[ . 1 . 2]" 1
220 1 15 TRP HZ3 1 37 GLN H . . 3.390 2.361 2.139 2.541 . 0 0 "[ . 1 . 2]" 1
221 1 15 TRP HZ3 1 37 GLN QB . . 5.110 4.769 4.537 5.109 . 0 0 "[ . 1 . 2]" 1
222 1 16 GLU H 1 16 GLU QB . . 3.370 2.586 2.496 2.740 . 0 0 "[ . 1 . 2]" 1
223 1 16 GLU H 1 16 GLU HG2 . . 4.390 3.939 3.362 4.219 . 0 0 "[ . 1 . 2]" 1
224 1 16 GLU H 1 16 GLU HG3 . . 4.740 4.479 3.381 4.810 0.070 19 0 "[ . 1 . 2]" 1
225 1 16 GLU H 1 17 LYS H . . 4.210 4.182 4.002 4.250 0.040 20 0 "[ . 1 . 2]" 1
226 1 16 GLU H 1 18 ARG H . . 5.500 5.519 5.305 5.569 0.069 16 0 "[ . 1 . 2]" 1
227 1 16 GLU H 1 18 ARG HG3 . . 5.500 4.982 4.606 5.575 0.075 10 0 "[ . 1 . 2]" 1
228 1 16 GLU H 1 29 PHE H . . 3.440 2.524 2.305 2.749 . 0 0 "[ . 1 . 2]" 1
229 1 16 GLU H 1 29 PHE HA . . 4.850 4.519 4.320 4.901 0.051 10 0 "[ . 1 . 2]" 1
230 1 16 GLU H 1 30 ASN H . . 4.850 4.642 4.458 4.899 0.049 10 0 "[ . 1 . 2]" 1
231 1 16 GLU H 1 30 ASN HA . . 3.730 3.584 3.409 3.797 0.067 10 0 "[ . 1 . 2]" 1
232 1 16 GLU H 1 30 ASN HB2 . . 5.070 5.131 5.095 5.144 0.074 17 0 "[ . 1 . 2]" 1
233 1 16 GLU H 1 31 HIS H . . 4.990 4.387 3.802 4.880 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLU H 1 31 HIS HD2 . . 4.800 4.006 3.267 4.872 0.072 16 0 "[ . 1 . 2]" 1
235 1 16 GLU H 1 41 PRO HG3 . . 5.500 5.564 5.537 5.573 0.073 8 0 "[ . 1 . 2]" 1
236 1 16 GLU HA 1 17 LYS HB2 . . 5.050 4.284 4.017 4.485 . 0 0 "[ . 1 . 2]" 1
237 1 16 GLU HA 1 17 LYS HB3 . . 5.060 4.770 4.545 4.921 . 0 0 "[ . 1 . 2]" 1
238 1 16 GLU HA 1 18 ARG HG2 . . 5.140 4.771 4.253 5.173 0.033 19 0 "[ . 1 . 2]" 1
239 1 16 GLU HA 1 18 ARG HG3 . . 5.440 4.842 4.355 5.500 0.060 5 0 "[ . 1 . 2]" 1
240 1 16 GLU QB 1 17 LYS H . . 3.570 3.380 2.907 3.629 0.059 10 0 "[ . 1 . 2]" 1
241 1 16 GLU QB 1 18 ARG H . . 4.940 4.503 4.213 4.710 . 0 0 "[ . 1 . 2]" 1
242 1 16 GLU QB 1 29 PHE H . . 4.090 3.532 3.193 3.717 . 0 0 "[ . 1 . 2]" 1
243 1 16 GLU QB 1 30 ASN H . . 5.500 5.445 5.318 5.563 0.063 7 0 "[ . 1 . 2]" 1
244 1 16 GLU QB 1 31 HIS H . . 4.920 4.044 3.358 4.939 0.019 4 0 "[ . 1 . 2]" 1
245 1 16 GLU QB 1 31 HIS HD2 . . 4.920 2.732 2.079 4.088 . 0 0 "[ . 1 . 2]" 1
246 1 16 GLU HG2 1 17 LYS H . . 4.560 4.393 4.035 4.624 0.064 12 0 "[ . 1 . 2]" 1
247 1 16 GLU HG2 1 31 HIS H . . 5.500 5.187 4.209 5.554 0.054 5 0 "[ . 1 . 2]" 1
248 1 16 GLU HG3 1 17 LYS H . . 5.500 5.262 4.810 5.472 . 0 0 "[ . 1 . 2]" 1
249 1 16 GLU HG3 1 31 HIS H . . 5.150 4.829 3.906 5.215 0.065 11 0 "[ . 1 . 2]" 1
250 1 17 LYS H 1 17 LYS HB2 . . 3.080 2.443 2.271 2.648 . 0 0 "[ . 1 . 2]" 1
251 1 17 LYS H 1 17 LYS HB3 . . 3.190 2.619 2.402 2.815 . 0 0 "[ . 1 . 2]" 1
252 1 17 LYS H 1 17 LYS QE . . 5.500 4.904 3.933 5.583 0.083 2 0 "[ . 1 . 2]" 1
253 1 17 LYS H 1 17 LYS QG . . 3.990 3.979 3.843 4.059 0.069 9 0 "[ . 1 . 2]" 1
254 1 17 LYS H 1 18 ARG H . . 4.550 4.311 4.103 4.436 . 0 0 "[ . 1 . 2]" 1
255 1 17 LYS H 1 18 ARG HG2 . . 4.690 4.152 3.684 4.541 . 0 0 "[ . 1 . 2]" 1
256 1 17 LYS H 1 18 ARG HG3 . . 5.410 4.667 4.093 5.470 0.060 5 0 "[ . 1 . 2]" 1
257 1 17 LYS H 1 28 TYR HA . . 4.890 4.796 4.592 4.928 0.038 19 0 "[ . 1 . 2]" 1
258 1 17 LYS H 1 28 TYR QD . . 4.710 4.574 4.005 4.786 0.076 19 0 "[ . 1 . 2]" 1
259 1 17 LYS H 1 29 PHE H . . 4.980 4.794 4.703 4.892 . 0 0 "[ . 1 . 2]" 1
260 1 17 LYS HA 1 17 LYS QG . . 3.740 2.337 2.173 2.559 . 0 0 "[ . 1 . 2]" 1
261 1 17 LYS HA 1 18 ARG H . . 2.640 2.184 2.129 2.257 . 0 0 "[ . 1 . 2]" 1
262 1 17 LYS HA 1 18 ARG HG2 . . 4.680 4.447 3.733 4.736 0.056 20 0 "[ . 1 . 2]" 1
263 1 17 LYS HA 1 28 TYR H . . 5.110 4.972 4.719 5.131 0.021 13 0 "[ . 1 . 2]" 1
264 1 17 LYS HA 1 28 TYR HA . . 4.050 2.382 2.096 2.565 . 0 0 "[ . 1 . 2]" 1
265 1 17 LYS HA 1 28 TYR QD . . 4.170 2.452 2.250 2.643 . 0 0 "[ . 1 . 2]" 1
266 1 17 LYS HA 1 29 PHE H . . 3.730 3.620 3.470 3.771 0.041 11 0 "[ . 1 . 2]" 1
267 1 17 LYS HB2 1 17 LYS QE . . 4.740 3.717 3.327 4.244 . 0 0 "[ . 1 . 2]" 1
268 1 17 LYS HB2 1 18 ARG H . . 5.110 4.555 4.413 4.642 . 0 0 "[ . 1 . 2]" 1
269 1 17 LYS HB2 1 28 TYR QE . . 4.970 3.756 3.114 4.279 . 0 0 "[ . 1 . 2]" 1
270 1 17 LYS HB2 1 29 PHE H . . 5.500 5.542 5.365 5.574 0.074 10 0 "[ . 1 . 2]" 1
271 1 17 LYS HB3 1 17 LYS QE . . 4.920 2.657 1.974 4.183 . 0 0 "[ . 1 . 2]" 1
272 1 17 LYS HB3 1 18 ARG H . . 4.300 4.347 4.293 4.366 0.066 4 0 "[ . 1 . 2]" 1
273 1 17 LYS HB3 1 28 TYR QE . . 5.250 4.784 4.339 5.236 . 0 0 "[ . 1 . 2]" 1
274 1 17 LYS QD 1 18 ARG H . . 3.770 3.041 2.664 3.326 . 0 0 "[ . 1 . 2]" 1
275 1 17 LYS QD 1 26 VAL MG1 . . 3.860 2.027 1.906 2.695 . 0 0 "[ . 1 . 2]" 1
276 1 17 LYS QD 1 26 VAL MG2 . . 4.040 3.857 3.573 4.123 0.083 19 0 "[ . 1 . 2]" 1
277 1 17 LYS QD 1 27 TYR H . . 4.410 3.436 3.219 3.681 . 0 0 "[ . 1 . 2]" 1
278 1 17 LYS QD 1 28 TYR H . . 5.500 5.570 5.514 5.589 0.089 8 0 "[ . 1 . 2]" 1
279 1 17 LYS QD 1 28 TYR QE . . 4.490 3.482 3.084 3.958 . 0 0 "[ . 1 . 2]" 1
280 1 17 LYS QE 1 17 LYS QG . . 3.480 2.319 1.968 2.571 . 0 0 "[ . 1 . 2]" 1
281 1 17 LYS QE 1 26 VAL MG1 . . 3.680 2.784 1.699 3.536 . 0 0 "[ . 1 . 2]" 1
282 1 17 LYS QE 1 26 VAL MG2 . . 4.570 4.067 3.275 4.647 0.077 5 0 "[ . 1 . 2]" 1
283 1 17 LYS QE 1 28 TYR QE . . 4.500 4.394 2.243 4.600 0.100 4 0 "[ . 1 . 2]" 1
284 1 17 LYS QG 1 18 ARG H . . 3.830 3.764 3.416 3.900 0.070 19 0 "[ . 1 . 2]" 1
285 1 17 LYS QG 1 28 TYR H . . 5.500 5.251 4.999 5.579 0.079 19 0 "[ . 1 . 2]" 1
286 1 17 LYS QG 1 28 TYR QE . . 4.420 2.146 1.975 2.398 . 0 0 "[ . 1 . 2]" 1
287 1 17 LYS QG 1 29 PHE H . . 5.500 5.419 5.196 5.556 0.056 1 0 "[ . 1 . 2]" 1
288 1 18 ARG H 1 18 ARG HB2 . . 3.860 2.793 2.560 3.021 . 0 0 "[ . 1 . 2]" 1
289 1 18 ARG H 1 18 ARG QB . . 3.350 2.728 2.518 2.926 . 0 0 "[ . 1 . 2]" 1
290 1 18 ARG H 1 18 ARG HB3 . . 3.860 3.845 3.735 3.918 0.058 19 0 "[ . 1 . 2]" 1
291 1 18 ARG H 1 18 ARG QD . . 5.340 4.593 4.062 5.017 . 0 0 "[ . 1 . 2]" 1
292 1 18 ARG H 1 18 ARG HG2 . . 3.880 3.459 2.947 3.762 . 0 0 "[ . 1 . 2]" 1
293 1 18 ARG H 1 19 MET H . . 4.410 4.420 4.342 4.460 0.050 8 0 "[ . 1 . 2]" 1
294 1 18 ARG H 1 19 MET HA . . 5.320 4.929 4.801 5.033 . 0 0 "[ . 1 . 2]" 1
295 1 18 ARG H 1 26 VAL HA . . 5.340 5.170 4.952 5.380 0.040 2 0 "[ . 1 . 2]" 1
296 1 18 ARG H 1 27 TYR HA . . 5.500 5.115 4.969 5.294 . 0 0 "[ . 1 . 2]" 1
297 1 18 ARG H 1 27 TYR QE . . 5.060 4.922 4.504 5.120 0.060 7 0 "[ . 1 . 2]" 1
298 1 18 ARG H 1 28 TYR HA . . 3.650 2.941 2.625 3.303 . 0 0 "[ . 1 . 2]" 1
299 1 18 ARG H 1 28 TYR QD . . 4.370 4.135 3.778 4.437 0.067 2 0 "[ . 1 . 2]" 1
300 1 18 ARG H 1 29 PHE H . . 4.290 3.874 3.719 4.040 . 0 0 "[ . 1 . 2]" 1
301 1 18 ARG H 1 29 PHE HB2 . . 5.500 5.018 4.737 5.403 . 0 0 "[ . 1 . 2]" 1
302 1 18 ARG H 1 29 PHE HB3 . . 4.640 4.345 4.081 4.698 0.058 4 0 "[ . 1 . 2]" 1
303 1 18 ARG HA 1 18 ARG HD2 . . 4.820 4.259 2.386 4.745 . 0 0 "[ . 1 . 2]" 1
304 1 18 ARG HA 1 18 ARG QD . . 4.230 3.380 2.214 3.802 . 0 0 "[ . 1 . 2]" 1
305 1 18 ARG HA 1 18 ARG HD3 . . 4.820 3.602 2.239 4.015 . 0 0 "[ . 1 . 2]" 1
306 1 18 ARG HA 1 18 ARG HG2 . . 3.850 2.625 2.399 3.084 . 0 0 "[ . 1 . 2]" 1
307 1 18 ARG HA 1 19 MET H . . 2.700 2.590 2.287 2.735 0.035 11 0 "[ . 1 . 2]" 1
308 1 18 ARG HA 1 19 MET QB . . 4.660 3.821 3.715 3.937 . 0 0 "[ . 1 . 2]" 1
309 1 18 ARG HA 1 19 MET ME . . 5.320 5.166 4.943 5.312 . 0 0 "[ . 1 . 2]" 1
310 1 18 ARG HA 1 26 VAL MG1 . . 4.870 4.626 4.277 4.949 0.079 19 0 "[ . 1 . 2]" 1
311 1 18 ARG QB 1 27 TYR H . . 4.800 4.489 4.114 4.694 . 0 0 "[ . 1 . 2]" 1
312 1 18 ARG QB 1 29 PHE HB2 . . 5.340 3.945 3.224 4.433 . 0 0 "[ . 1 . 2]" 1
313 1 18 ARG QB 1 29 PHE HB3 . . 5.340 3.493 2.999 4.062 . 0 0 "[ . 1 . 2]" 1
314 1 18 ARG HB2 1 19 MET H . . 3.430 3.136 2.789 3.483 0.053 17 0 "[ . 1 . 2]" 1
315 1 18 ARG HB3 1 19 MET H . . 3.430 2.098 1.947 2.297 . 0 0 "[ . 1 . 2]" 1
316 1 18 ARG QD 1 19 MET H . . 3.980 3.772 3.152 4.046 0.066 11 0 "[ . 1 . 2]" 1
317 1 18 ARG HD2 1 19 MET H . . 4.770 4.556 3.194 4.838 0.068 19 0 "[ . 1 . 2]" 1
318 1 18 ARG HD3 1 19 MET H . . 4.770 4.134 3.454 4.835 0.065 12 0 "[ . 1 . 2]" 1
319 1 18 ARG HG2 1 29 PHE H . . 5.500 5.230 4.040 5.563 0.063 14 0 "[ . 1 . 2]" 1
320 1 18 ARG HG3 1 29 PHE H . . 4.950 4.213 3.797 4.911 . 0 0 "[ . 1 . 2]" 1
321 1 18 ARG HG3 1 29 PHE HB3 . . 5.150 2.968 2.667 3.488 . 0 0 "[ . 1 . 2]" 1
322 1 19 MET H 1 19 MET QB . . 2.850 2.514 2.294 2.643 . 0 0 "[ . 1 . 2]" 1
323 1 19 MET H 1 19 MET ME . . 4.480 4.534 4.295 4.568 0.088 11 0 "[ . 1 . 2]" 1
324 1 19 MET H 1 19 MET HG2 . . 4.730 4.502 4.448 4.570 . 0 0 "[ . 1 . 2]" 1
325 1 19 MET H 1 19 MET HG3 . . 4.750 4.648 4.442 4.720 . 0 0 "[ . 1 . 2]" 1
326 1 19 MET H 1 20 SER H . . 4.650 4.358 4.254 4.590 . 0 0 "[ . 1 . 2]" 1
327 1 19 MET H 1 20 SER HA . . 5.470 4.932 4.739 5.372 . 0 0 "[ . 1 . 2]" 1
328 1 19 MET H 1 26 VAL HA . . 5.500 4.708 4.580 4.878 . 0 0 "[ . 1 . 2]" 1
329 1 19 MET H 1 26 VAL MG1 . . 5.400 5.119 4.755 5.353 . 0 0 "[ . 1 . 2]" 1
330 1 19 MET H 1 26 VAL MG2 . . 5.470 5.263 4.852 5.541 0.071 8 0 "[ . 1 . 2]" 1
331 1 19 MET H 1 27 TYR H . . 4.760 4.793 4.666 4.826 0.066 12 0 "[ . 1 . 2]" 1
332 1 19 MET H 1 27 TYR QD . . 5.040 4.604 4.192 5.080 0.040 7 0 "[ . 1 . 2]" 1
333 1 19 MET H 1 27 TYR QE . . 4.340 3.812 3.189 4.388 0.048 2 0 "[ . 1 . 2]" 1
334 1 19 MET HA 1 19 MET ME . . 4.270 4.020 3.911 4.182 . 0 0 "[ . 1 . 2]" 1
335 1 19 MET HA 1 20 SER H . . 2.840 2.190 2.084 2.261 . 0 0 "[ . 1 . 2]" 1
336 1 19 MET HA 1 26 VAL H . . 4.450 4.405 4.257 4.513 0.063 2 0 "[ . 1 . 2]" 1
337 1 19 MET HA 1 26 VAL MG1 . . 4.560 3.790 3.425 4.100 . 0 0 "[ . 1 . 2]" 1
338 1 19 MET HA 1 26 VAL MG2 . . 3.970 3.572 3.138 3.792 . 0 0 "[ . 1 . 2]" 1
339 1 19 MET HA 1 27 TYR H . . 3.360 3.026 2.775 3.161 . 0 0 "[ . 1 . 2]" 1
340 1 19 MET QB 1 20 SER H . . 3.630 3.649 3.526 3.702 0.072 9 0 "[ . 1 . 2]" 1
341 1 19 MET QB 1 24 GLY H . . 5.500 5.500 5.294 5.575 0.075 11 0 "[ . 1 . 2]" 1
342 1 19 MET QB 1 24 GLY QA . . 4.770 3.808 3.631 4.076 . 0 0 "[ . 1 . 2]" 1
343 1 19 MET QB 1 26 VAL MG1 . . 4.260 3.762 3.329 4.217 . 0 0 "[ . 1 . 2]" 1
344 1 19 MET QB 1 27 TYR H . . 4.460 4.511 4.450 4.531 0.071 11 0 "[ . 1 . 2]" 1
345 1 19 MET ME 1 19 MET HG2 . . 4.010 3.421 3.372 3.464 . 0 0 "[ . 1 . 2]" 1
346 1 19 MET ME 1 24 GLY HA2 . . 5.100 4.318 4.182 4.660 . 0 0 "[ . 1 . 2]" 1
347 1 19 MET ME 1 24 GLY QA . . 4.360 3.984 3.841 4.324 . 0 0 "[ . 1 . 2]" 1
348 1 19 MET ME 1 24 GLY HA3 . . 5.100 4.682 4.423 5.122 0.022 17 0 "[ . 1 . 2]" 1
349 1 19 MET ME 1 25 ARG HA . . 5.500 5.236 4.498 5.552 0.052 7 0 "[ . 1 . 2]" 1
350 1 19 MET ME 1 26 VAL HA . . 4.490 3.913 3.722 4.089 . 0 0 "[ . 1 . 2]" 1
351 1 19 MET ME 1 26 VAL MG1 . . 3.720 3.706 3.320 3.809 0.089 13 0 "[ . 1 . 2]" 1
352 1 19 MET ME 1 26 VAL MG2 . . 3.290 2.055 1.941 2.204 . 0 0 "[ . 1 . 2]" 1
353 1 19 MET HG2 1 20 SER H . . 4.010 2.614 2.373 2.835 . 0 0 "[ . 1 . 2]" 1
354 1 19 MET HG2 1 24 GLY H . . 5.310 3.788 3.667 3.954 . 0 0 "[ . 1 . 2]" 1
355 1 19 MET HG2 1 25 ARG H . . 4.260 2.940 2.278 3.458 . 0 0 "[ . 1 . 2]" 1
356 1 19 MET HG2 1 26 VAL H . . 4.730 4.530 4.287 4.764 0.034 16 0 "[ . 1 . 2]" 1
357 1 19 MET HG2 1 26 VAL MG1 . . 5.410 5.333 5.027 5.473 0.063 2 0 "[ . 1 . 2]" 1
358 1 19 MET HG2 1 26 VAL MG2 . . 4.950 3.842 3.680 4.067 . 0 0 "[ . 1 . 2]" 1
359 1 19 MET HG3 1 20 SER H . . 3.900 3.250 3.081 3.387 . 0 0 "[ . 1 . 2]" 1
360 1 19 MET HG3 1 24 GLY H . . 5.450 5.214 5.019 5.499 0.049 17 0 "[ . 1 . 2]" 1
361 1 19 MET HG3 1 24 GLY QA . . 5.210 3.439 3.201 3.780 . 0 0 "[ . 1 . 2]" 1
362 1 19 MET HG3 1 25 ARG H . . 4.820 3.815 3.271 4.237 . 0 0 "[ . 1 . 2]" 1
363 1 19 MET HG3 1 26 VAL MG1 . . 4.350 3.967 3.670 4.141 . 0 0 "[ . 1 . 2]" 1
364 1 19 MET HG3 1 26 VAL MG2 . . 4.780 2.351 2.215 2.579 . 0 0 "[ . 1 . 2]" 1
365 1 19 MET HG3 1 27 TYR H . . 4.660 4.640 4.255 4.711 0.051 1 0 "[ . 1 . 2]" 1
366 1 20 SER H 1 20 SER HB2 . . 3.200 2.448 2.235 2.656 . 0 0 "[ . 1 . 2]" 1
367 1 20 SER H 1 20 SER HB3 . . 3.200 2.531 2.263 2.787 . 0 0 "[ . 1 . 2]" 1
368 1 20 SER H 1 24 GLY H . . 4.670 4.317 4.064 4.669 . 0 0 "[ . 1 . 2]" 1
369 1 20 SER H 1 25 ARG H . . 3.770 2.788 2.454 3.122 . 0 0 "[ . 1 . 2]" 1
370 1 20 SER H 1 25 ARG HA . . 4.400 4.435 4.361 4.466 0.066 15 0 "[ . 1 . 2]" 1
371 1 20 SER H 1 25 ARG HB2 . . 4.520 3.853 3.360 4.232 . 0 0 "[ . 1 . 2]" 1
372 1 20 SER H 1 25 ARG HB3 . . 4.290 4.119 3.303 4.356 0.066 7 0 "[ . 1 . 2]" 1
373 1 20 SER H 1 26 VAL H . . 4.650 4.626 4.525 4.708 0.058 10 0 "[ . 1 . 2]" 1
374 1 20 SER H 1 26 VAL MG2 . . 4.940 4.728 4.338 4.966 0.026 10 0 "[ . 1 . 2]" 1
375 1 20 SER H 1 27 TYR H . . 4.520 4.399 4.151 4.573 0.053 15 0 "[ . 1 . 2]" 1
376 1 20 SER H 1 27 TYR HB3 . . 4.900 4.859 4.547 4.965 0.065 7 0 "[ . 1 . 2]" 1
377 1 20 SER H 1 27 TYR QD . . 3.480 2.662 2.477 2.766 . 0 0 "[ . 1 . 2]" 1
378 1 20 SER H 1 27 TYR QE . . 3.750 3.013 2.780 3.207 . 0 0 "[ . 1 . 2]" 1
379 1 20 SER QB 1 24 GLY H . . 4.170 3.127 2.650 3.476 . 0 0 "[ . 1 . 2]" 1
380 1 20 SER QB 1 25 ARG H . . 3.000 2.121 1.779 2.393 . 0 0 "[ . 1 . 2]" 1
381 1 20 SER QB 1 27 TYR QD . . 4.300 3.042 2.586 3.340 . 0 0 "[ . 1 . 2]" 1
382 1 20 SER HB2 1 25 ARG H . . 3.520 3.536 3.238 3.587 0.067 19 0 "[ . 1 . 2]" 1
383 1 20 SER HB2 1 27 TYR QD . . 5.010 3.115 2.610 3.448 . 0 0 "[ . 1 . 2]" 1
384 1 20 SER HB2 1 27 TYR QE . . 5.070 3.164 2.734 3.717 . 0 0 "[ . 1 . 2]" 1
385 1 20 SER HB3 1 25 ARG H . . 3.520 2.140 1.787 2.437 . 0 0 "[ . 1 . 2]" 1
386 1 20 SER HB3 1 27 TYR QD . . 5.010 4.316 4.047 4.638 . 0 0 "[ . 1 . 2]" 1
387 1 20 SER HB3 1 27 TYR QE . . 5.070 4.383 4.115 4.755 . 0 0 "[ . 1 . 2]" 1
388 1 21 ARG HA 1 21 ARG QD . . 4.310 3.390 2.123 4.376 0.066 16 0 "[ . 1 . 2]" 1
389 1 21 ARG HA 1 21 ARG QG . . 3.630 2.770 2.273 3.557 . 0 0 "[ . 1 . 2]" 1
390 1 21 ARG QB 1 21 ARG QD . . 3.480 2.438 2.081 2.946 . 0 0 "[ . 1 . 2]" 1
391 1 24 GLY H 1 25 ARG H . . 3.400 2.306 1.969 2.573 . 0 0 "[ . 1 . 2]" 1
392 1 24 GLY H 1 25 ARG HB2 . . 4.780 3.988 3.523 4.128 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLY H 1 25 ARG HB3 . . 5.500 5.456 4.532 5.569 0.069 6 0 "[ . 1 . 2]" 1
394 1 24 GLY H 1 25 ARG QG . . 5.340 4.723 4.010 5.427 0.087 19 0 "[ . 1 . 2]" 1
395 1 24 GLY QA 1 26 VAL H . . 5.340 5.131 4.960 5.356 0.016 15 0 "[ . 1 . 2]" 1
396 1 25 ARG H 1 25 ARG HB2 . . 3.200 2.304 2.146 2.689 . 0 0 "[ . 1 . 2]" 1
397 1 25 ARG H 1 25 ARG HB3 . . 3.640 3.400 2.737 3.626 . 0 0 "[ . 1 . 2]" 1
398 1 25 ARG H 1 26 VAL H . . 4.580 4.401 4.194 4.567 . 0 0 "[ . 1 . 2]" 1
399 1 25 ARG H 1 27 TYR QD . . 5.190 4.994 4.748 5.157 . 0 0 "[ . 1 . 2]" 1
400 1 25 ARG H 1 27 TYR QE . . 5.500 5.559 5.388 5.581 0.081 14 0 "[ . 1 . 2]" 1
401 1 25 ARG HA 1 25 ARG QD . . 4.800 2.342 2.006 3.601 . 0 0 "[ . 1 . 2]" 1
402 1 25 ARG HA 1 26 VAL H . . 2.530 2.172 2.049 2.254 . 0 0 "[ . 1 . 2]" 1
403 1 25 ARG HA 1 26 VAL MG2 . . 4.550 3.612 3.364 3.767 . 0 0 "[ . 1 . 2]" 1
404 1 25 ARG HB2 1 27 TYR QD . . 5.500 5.036 4.167 5.546 0.046 19 0 "[ . 1 . 2]" 1
405 1 25 ARG HB3 1 25 ARG QD . . 3.680 2.687 2.207 3.570 . 0 0 "[ . 1 . 2]" 1
406 1 25 ARG HB3 1 26 VAL H . . 4.260 3.714 3.474 4.255 . 0 0 "[ . 1 . 2]" 1
407 1 25 ARG HB3 1 27 TYR QD . . 4.930 4.480 3.689 4.894 . 0 0 "[ . 1 . 2]" 1
408 1 25 ARG HD2 1 26 VAL H . . 5.200 4.246 2.782 5.265 0.065 10 0 "[ . 1 . 2]" 1
409 1 25 ARG HD3 1 26 VAL H . . 5.200 4.074 2.955 5.268 0.068 9 0 "[ . 1 . 2]" 1
410 1 25 ARG QG 1 26 VAL H . . 4.600 4.218 3.313 4.660 0.060 7 0 "[ . 1 . 2]" 1
411 1 26 VAL H 1 26 VAL HB . . 2.710 2.454 2.309 2.677 . 0 0 "[ . 1 . 2]" 1
412 1 26 VAL H 1 26 VAL MG1 . . 3.880 3.739 3.678 3.821 . 0 0 "[ . 1 . 2]" 1
413 1 26 VAL H 1 26 VAL MG2 . . 3.320 2.141 1.956 2.278 . 0 0 "[ . 1 . 2]" 1
414 1 26 VAL H 1 27 TYR QD . . 5.180 5.019 4.929 5.117 . 0 0 "[ . 1 . 2]" 1
415 1 26 VAL HA 1 26 VAL MG1 . . 3.580 2.379 2.225 2.462 . 0 0 "[ . 1 . 2]" 1
416 1 26 VAL HA 1 26 VAL MG2 . . 3.690 2.389 2.245 2.501 . 0 0 "[ . 1 . 2]" 1
417 1 26 VAL HA 1 27 TYR H . . 2.670 2.246 2.166 2.322 . 0 0 "[ . 1 . 2]" 1
418 1 26 VAL HB 1 27 TYR H . . 4.440 4.153 3.872 4.469 0.029 2 0 "[ . 1 . 2]" 1
419 1 26 VAL MG1 1 27 TYR H . . 3.310 2.570 2.293 3.130 . 0 0 "[ . 1 . 2]" 1
420 1 26 VAL MG1 1 27 TYR HA . . 4.760 3.492 3.334 3.710 . 0 0 "[ . 1 . 2]" 1
421 1 26 VAL MG1 1 27 TYR QD . . 5.340 4.502 4.261 4.911 . 0 0 "[ . 1 . 2]" 1
422 1 26 VAL MG1 1 28 TYR H . . 5.500 5.246 4.992 5.570 0.070 2 0 "[ . 1 . 2]" 1
423 1 26 VAL MG1 1 28 TYR QD . . 4.990 4.656 4.291 5.057 0.067 10 0 "[ . 1 . 2]" 1
424 1 26 VAL MG1 1 28 TYR QE . . 4.590 4.235 3.880 4.567 . 0 0 "[ . 1 . 2]" 1
425 1 26 VAL MG2 1 27 TYR H . . 4.190 4.026 3.724 4.228 0.038 2 0 "[ . 1 . 2]" 1
426 1 27 TYR H 1 27 TYR HB2 . . 4.020 4.038 3.976 4.068 0.048 13 0 "[ . 1 . 2]" 1
427 1 27 TYR H 1 27 TYR HB3 . . 4.050 3.427 3.318 3.511 . 0 0 "[ . 1 . 2]" 1
428 1 27 TYR H 1 27 TYR QD . . 3.230 2.599 2.182 3.069 . 0 0 "[ . 1 . 2]" 1
429 1 27 TYR H 1 27 TYR QE . . 4.430 4.437 4.195 4.501 0.071 5 0 "[ . 1 . 2]" 1
430 1 27 TYR H 1 28 TYR HA . . 4.790 4.668 4.561 4.822 0.032 2 0 "[ . 1 . 2]" 1
431 1 27 TYR HA 1 28 TYR H . . 3.260 2.585 2.434 2.744 . 0 0 "[ . 1 . 2]" 1
432 1 27 TYR HB2 1 28 TYR H . . 3.710 2.265 2.027 2.586 . 0 0 "[ . 1 . 2]" 1
433 1 27 TYR HB2 1 37 GLN H . . 4.780 3.984 3.840 4.365 . 0 0 "[ . 1 . 2]" 1
434 1 27 TYR HB2 1 38 TRP H . . 4.310 3.740 3.625 3.869 . 0 0 "[ . 1 . 2]" 1
435 1 27 TYR HB2 1 38 TRP HA . . 4.350 2.846 2.441 3.197 . 0 0 "[ . 1 . 2]" 1
436 1 27 TYR HB2 1 38 TRP HE3 . . 4.970 4.437 3.245 5.017 0.047 16 0 "[ . 1 . 2]" 1
437 1 27 TYR HB3 1 28 TYR H . . 4.320 3.737 3.535 4.001 . 0 0 "[ . 1 . 2]" 1
438 1 27 TYR HB3 1 38 TRP H . . 4.700 4.735 4.541 4.762 0.062 2 0 "[ . 1 . 2]" 1
439 1 27 TYR HB3 1 38 TRP HE3 . . 4.760 3.894 2.659 4.469 . 0 0 "[ . 1 . 2]" 1
440 1 27 TYR QD 1 36 SER HB2 . . 4.100 2.526 2.234 3.159 . 0 0 "[ . 1 . 2]" 1
441 1 27 TYR QD 1 38 TRP H . . 4.770 4.750 4.444 4.842 0.072 14 0 "[ . 1 . 2]" 1
442 1 27 TYR QE 1 28 TYR H . . 5.020 4.935 4.625 5.092 0.072 14 0 "[ . 1 . 2]" 1
443 1 27 TYR QE 1 29 PHE H . . 5.410 5.116 4.712 5.309 . 0 0 "[ . 1 . 2]" 1
444 1 27 TYR QE 1 29 PHE HB2 . . 4.400 2.463 2.152 2.925 . 0 0 "[ . 1 . 2]" 1
445 1 27 TYR QE 1 30 ASN H . . 5.500 5.546 5.275 5.579 0.079 10 0 "[ . 1 . 2]" 1
446 1 27 TYR QE 1 36 SER H . . 5.500 5.502 5.235 5.572 0.072 7 0 "[ . 1 . 2]" 1
447 1 27 TYR QE 1 36 SER HB2 . . 4.710 2.014 1.963 2.086 . 0 0 "[ . 1 . 2]" 1
448 1 27 TYR QE 1 36 SER HB3 . . 4.800 2.908 2.523 3.332 . 0 0 "[ . 1 . 2]" 1
449 1 27 TYR QE 1 37 GLN H . . 4.830 4.574 4.320 4.871 0.041 2 0 "[ . 1 . 2]" 1
450 1 28 TYR H 1 28 TYR HB2 . . 3.180 2.606 2.526 2.707 . 0 0 "[ . 1 . 2]" 1
451 1 28 TYR H 1 28 TYR HB3 . . 3.780 3.673 3.613 3.765 . 0 0 "[ . 1 . 2]" 1
452 1 28 TYR H 1 28 TYR QD . . 3.310 3.109 2.686 3.366 0.056 12 0 "[ . 1 . 2]" 1
453 1 28 TYR H 1 29 PHE H . . 5.490 4.504 4.412 4.680 . 0 0 "[ . 1 . 2]" 1
454 1 28 TYR H 1 29 PHE HA . . 5.420 5.057 4.917 5.331 . 0 0 "[ . 1 . 2]" 1
455 1 28 TYR H 1 36 SER HA . . 5.190 4.880 4.709 5.027 . 0 0 "[ . 1 . 2]" 1
456 1 28 TYR H 1 36 SER HB2 . . 5.250 4.785 4.529 5.297 0.047 7 0 "[ . 1 . 2]" 1
457 1 28 TYR H 1 37 GLN H . . 3.630 3.210 3.044 3.551 . 0 0 "[ . 1 . 2]" 1
458 1 28 TYR H 1 38 TRP H . . 5.010 4.547 4.413 4.664 . 0 0 "[ . 1 . 2]" 1
459 1 28 TYR H 1 38 TRP HB2 . . 5.500 5.527 5.391 5.566 0.066 10 0 "[ . 1 . 2]" 1
460 1 28 TYR H 1 38 TRP HB3 . . 5.190 4.817 4.461 5.005 . 0 0 "[ . 1 . 2]" 1
461 1 28 TYR H 1 39 GLU H . . 5.290 5.060 4.799 5.334 0.044 10 0 "[ . 1 . 2]" 1
462 1 28 TYR HA 1 29 PHE H . . 2.810 2.283 2.237 2.351 . 0 0 "[ . 1 . 2]" 1
463 1 28 TYR HA 1 37 GLN H . . 5.330 4.898 4.680 5.179 . 0 0 "[ . 1 . 2]" 1
464 1 28 TYR HB2 1 29 PHE H . . 3.940 3.952 3.731 3.999 0.059 11 0 "[ . 1 . 2]" 1
465 1 28 TYR HB2 1 37 GLN H . . 3.870 3.130 2.786 3.358 . 0 0 "[ . 1 . 2]" 1
466 1 28 TYR HB2 1 41 PRO HD2 . . 4.950 4.608 4.109 4.983 0.033 18 0 "[ . 1 . 2]" 1
467 1 28 TYR HB2 1 41 PRO HD3 . . 4.950 3.251 2.983 3.712 . 0 0 "[ . 1 . 2]" 1
468 1 28 TYR QD 1 39 GLU H . . 4.310 3.818 3.489 4.233 . 0 0 "[ . 1 . 2]" 1
469 1 28 TYR QD 1 40 ARG HA . . 4.410 2.848 2.438 3.418 . 0 0 "[ . 1 . 2]" 1
470 1 28 TYR QD 1 41 PRO HD2 . . 4.650 3.866 3.304 4.376 . 0 0 "[ . 1 . 2]" 1
471 1 28 TYR QD 1 41 PRO HD3 . . 4.650 3.064 2.569 3.975 . 0 0 "[ . 1 . 2]" 1
472 1 28 TYR QE 1 40 ARG H . . 3.680 3.034 2.578 3.741 0.061 10 0 "[ . 1 . 2]" 1
473 1 28 TYR QE 1 40 ARG HA . . 4.360 2.657 2.303 3.888 . 0 0 "[ . 1 . 2]" 1
474 1 28 TYR QE 1 40 ARG QB . . 4.750 3.283 2.263 4.312 . 0 0 "[ . 1 . 2]" 1
475 1 29 PHE H 1 29 PHE HB2 . . 4.170 3.393 3.239 3.636 . 0 0 "[ . 1 . 2]" 1
476 1 29 PHE H 1 29 PHE HB3 . . 3.290 2.591 2.537 2.756 . 0 0 "[ . 1 . 2]" 1
477 1 29 PHE H 1 29 PHE QD . . 4.330 4.330 4.154 4.388 0.058 10 0 "[ . 1 . 2]" 1
478 1 29 PHE H 1 30 ASN H . . 4.270 4.183 4.032 4.323 0.053 16 0 "[ . 1 . 2]" 1
479 1 29 PHE H 1 36 SER HA . . 4.760 4.674 4.506 4.798 0.038 12 0 "[ . 1 . 2]" 1
480 1 29 PHE H 1 36 SER HB2 . . 5.500 5.021 4.494 5.556 0.056 19 0 "[ . 1 . 2]" 1
481 1 29 PHE H 1 36 SER HB3 . . 5.500 5.000 4.694 5.550 0.050 10 0 "[ . 1 . 2]" 1
482 1 29 PHE HA 1 29 PHE QD . . 4.040 2.488 2.294 2.703 . 0 0 "[ . 1 . 2]" 1
483 1 29 PHE HA 1 30 ASN H . . 2.830 2.084 2.027 2.160 . 0 0 "[ . 1 . 2]" 1
484 1 29 PHE HA 1 31 HIS H . . 5.500 5.420 5.153 5.555 0.055 7 0 "[ . 1 . 2]" 1
485 1 29 PHE HA 1 35 ALA H . . 5.290 5.116 4.983 5.331 0.041 20 0 "[ . 1 . 2]" 1
486 1 29 PHE HA 1 35 ALA MB . . 5.460 5.197 5.076 5.357 . 0 0 "[ . 1 . 2]" 1
487 1 29 PHE HA 1 36 SER H . . 4.810 4.610 4.537 4.710 . 0 0 "[ . 1 . 2]" 1
488 1 29 PHE HA 1 36 SER HA . . 3.840 2.264 2.143 2.410 . 0 0 "[ . 1 . 2]" 1
489 1 29 PHE HA 1 36 SER HB2 . . 4.840 2.767 2.134 3.284 . 0 0 "[ . 1 . 2]" 1
490 1 29 PHE HA 1 36 SER HB3 . . 4.920 2.188 2.021 2.558 . 0 0 "[ . 1 . 2]" 1
491 1 29 PHE HA 1 37 GLN H . . 3.890 3.753 3.608 3.911 0.021 2 0 "[ . 1 . 2]" 1
492 1 29 PHE HB2 1 30 ASN H . . 4.260 4.161 3.977 4.263 0.003 17 0 "[ . 1 . 2]" 1
493 1 29 PHE HB2 1 36 SER HB2 . . 4.900 2.977 2.497 3.551 . 0 0 "[ . 1 . 2]" 1
494 1 29 PHE HB3 1 30 ASN H . . 4.580 4.389 4.030 4.497 . 0 0 "[ . 1 . 2]" 1
495 1 29 PHE HB3 1 31 HIS H . . 5.500 5.417 5.024 5.560 0.060 4 0 "[ . 1 . 2]" 1
496 1 29 PHE QD 1 30 ASN H . . 3.370 2.458 1.878 2.913 . 0 0 "[ . 1 . 2]" 1
497 1 29 PHE QD 1 31 HIS HA . . 4.600 4.135 3.852 4.514 . 0 0 "[ . 1 . 2]" 1
498 1 29 PHE QD 1 34 ASN H . . 5.440 5.070 4.892 5.227 . 0 0 "[ . 1 . 2]" 1
499 1 29 PHE QD 1 36 SER H . . 4.350 4.388 4.218 4.425 0.075 18 0 "[ . 1 . 2]" 1
500 1 29 PHE QD 1 36 SER HB2 . . 4.470 3.646 3.131 3.964 . 0 0 "[ . 1 . 2]" 1
501 1 29 PHE QD 1 36 SER HB3 . . 3.940 2.072 1.965 2.244 . 0 0 "[ . 1 . 2]" 1
502 1 29 PHE QE 1 31 HIS HA . . 3.900 2.779 2.563 3.120 . 0 0 "[ . 1 . 2]" 1
503 1 29 PHE QE 1 31 HIS HB2 . . 5.230 3.889 3.288 4.441 . 0 0 "[ . 1 . 2]" 1
504 1 29 PHE QE 1 31 HIS QB . . 4.590 2.902 2.523 3.454 . 0 0 "[ . 1 . 2]" 1
505 1 29 PHE QE 1 31 HIS HB3 . . 5.230 2.998 2.607 3.601 . 0 0 "[ . 1 . 2]" 1
506 1 29 PHE QE 1 33 THR H . . 5.500 5.530 5.404 5.572 0.072 17 0 "[ . 1 . 2]" 1
507 1 29 PHE QE 1 34 ASN H . . 4.450 3.931 3.799 4.047 . 0 0 "[ . 1 . 2]" 1
508 1 29 PHE QE 1 34 ASN HA . . 4.370 2.300 2.153 2.556 . 0 0 "[ . 1 . 2]" 1
509 1 29 PHE QE 1 34 ASN HB2 . . 5.300 4.350 3.909 4.790 . 0 0 "[ . 1 . 2]" 1
510 1 29 PHE HZ 1 31 HIS H . . 5.170 5.107 4.876 5.228 0.058 3 0 "[ . 1 . 2]" 1
511 1 29 PHE HZ 1 31 HIS HA . . 4.700 2.892 2.551 3.145 . 0 0 "[ . 1 . 2]" 1
512 1 29 PHE HZ 1 34 ASN HA . . 4.490 4.265 3.999 4.533 0.043 10 0 "[ . 1 . 2]" 1
513 1 30 ASN H 1 30 ASN HB2 . . 3.250 2.508 2.375 2.764 . 0 0 "[ . 1 . 2]" 1
514 1 30 ASN H 1 30 ASN HB3 . . 3.320 2.689 2.559 2.814 . 0 0 "[ . 1 . 2]" 1
515 1 30 ASN H 1 31 HIS HA . . 5.390 4.969 4.460 5.260 . 0 0 "[ . 1 . 2]" 1
516 1 30 ASN H 1 33 THR MG . . 4.910 4.598 4.458 4.744 . 0 0 "[ . 1 . 2]" 1
517 1 30 ASN H 1 34 ASN HA . . 5.500 4.750 4.517 5.063 . 0 0 "[ . 1 . 2]" 1
518 1 30 ASN H 1 35 ALA H . . 3.760 3.355 3.264 3.585 . 0 0 "[ . 1 . 2]" 1
519 1 30 ASN H 1 35 ALA MB . . 4.150 3.863 3.720 4.048 . 0 0 "[ . 1 . 2]" 1
520 1 30 ASN H 1 36 SER HA . . 3.640 2.888 2.557 3.158 . 0 0 "[ . 1 . 2]" 1
521 1 30 ASN H 1 36 SER HB2 . . 4.710 4.333 3.741 4.760 0.050 4 0 "[ . 1 . 2]" 1
522 1 30 ASN H 1 36 SER HB3 . . 4.690 3.169 2.877 3.483 . 0 0 "[ . 1 . 2]" 1
523 1 30 ASN HA 1 31 HIS H . . 2.760 2.181 2.071 2.273 . 0 0 "[ . 1 . 2]" 1
524 1 30 ASN HA 1 31 HIS HA . . 4.800 4.467 4.418 4.521 . 0 0 "[ . 1 . 2]" 1
525 1 30 ASN HA 1 33 THR H . . 4.530 4.446 4.347 4.541 0.011 17 0 "[ . 1 . 2]" 1
526 1 30 ASN HA 1 34 ASN H . . 4.990 5.019 4.940 5.054 0.064 7 0 "[ . 1 . 2]" 1
527 1 30 ASN HB2 1 33 THR MG . . 3.640 3.370 3.207 3.552 . 0 0 "[ . 1 . 2]" 1
528 1 30 ASN HB2 1 35 ALA H . . 3.600 3.582 3.422 3.660 0.060 16 0 "[ . 1 . 2]" 1
529 1 30 ASN HB2 1 35 ALA MB . . 3.950 2.987 2.724 3.132 . 0 0 "[ . 1 . 2]" 1
530 1 30 ASN HB2 1 36 SER H . . 5.500 5.577 5.570 5.583 0.083 1 0 "[ . 1 . 2]" 1
531 1 30 ASN HB3 1 31 HIS H . . 4.290 4.328 4.279 4.356 0.066 16 0 "[ . 1 . 2]" 1
532 1 30 ASN HB3 1 32 ILE H . . 4.640 4.095 3.991 4.270 . 0 0 "[ . 1 . 2]" 1
533 1 30 ASN HB3 1 33 THR H . . 4.370 3.306 3.156 3.458 . 0 0 "[ . 1 . 2]" 1
534 1 30 ASN HB3 1 35 ALA H . . 3.550 2.040 1.879 2.212 . 0 0 "[ . 1 . 2]" 1
535 1 30 ASN HB3 1 36 SER H . . 5.500 5.190 5.064 5.372 . 0 0 "[ . 1 . 2]" 1
536 1 31 HIS H 1 31 HIS HB2 . . 3.700 3.646 3.580 3.711 0.011 9 0 "[ . 1 . 2]" 1
537 1 31 HIS H 1 31 HIS QB . . 3.110 2.688 2.575 2.778 . 0 0 "[ . 1 . 2]" 1
538 1 31 HIS H 1 31 HIS HB3 . . 3.700 2.768 2.637 2.880 . 0 0 "[ . 1 . 2]" 1
539 1 31 HIS H 1 31 HIS HD2 . . 3.360 2.245 1.827 2.755 . 0 0 "[ . 1 . 2]" 1
540 1 31 HIS H 1 31 HIS HE1 . . 5.340 5.237 4.884 5.402 0.062 16 0 "[ . 1 . 2]" 1
541 1 31 HIS H 1 32 ILE HB . . 4.340 4.242 3.956 4.386 0.046 5 0 "[ . 1 . 2]" 1
542 1 31 HIS H 1 32 ILE MD . . 4.040 3.559 3.355 3.890 . 0 0 "[ . 1 . 2]" 1
543 1 31 HIS H 1 33 THR H . . 4.340 4.388 4.326 4.406 0.066 8 0 "[ . 1 . 2]" 1
544 1 31 HIS H 1 33 THR MG . . 5.230 5.198 4.971 5.296 0.066 17 0 "[ . 1 . 2]" 1
545 1 31 HIS H 1 35 ALA H . . 5.290 5.240 5.054 5.347 0.057 5 0 "[ . 1 . 2]" 1
546 1 31 HIS HA 1 32 ILE H . . 3.430 3.408 3.326 3.451 0.021 11 0 "[ . 1 . 2]" 1
547 1 31 HIS HA 1 34 ASN H . . 4.570 3.239 3.025 3.492 . 0 0 "[ . 1 . 2]" 1
548 1 31 HIS QB 1 32 ILE H . . 3.930 3.892 3.753 3.955 0.025 17 0 "[ . 1 . 2]" 1
549 1 31 HIS HB2 1 32 ILE H . . 4.620 4.308 4.112 4.389 . 0 0 "[ . 1 . 2]" 1
550 1 31 HIS HB3 1 32 ILE H . . 4.620 4.439 4.332 4.527 . 0 0 "[ . 1 . 2]" 1
551 1 31 HIS HD2 1 32 ILE H . . 4.610 4.368 3.763 4.670 0.060 16 0 "[ . 1 . 2]" 1
552 1 31 HIS HD2 1 32 ILE MD . . 4.740 3.928 3.417 4.415 . 0 0 "[ . 1 . 2]" 1
553 1 31 HIS HE1 1 32 ILE H . . 5.390 5.427 5.299 5.456 0.066 15 0 "[ . 1 . 2]" 1
554 1 31 HIS HE1 1 32 ILE MD . . 5.290 2.502 2.308 2.724 . 0 0 "[ . 1 . 2]" 1
555 1 32 ILE H 1 32 ILE HB . . 2.920 2.077 1.990 2.171 . 0 0 "[ . 1 . 2]" 1
556 1 32 ILE H 1 32 ILE MD . . 3.160 2.605 2.304 2.798 . 0 0 "[ . 1 . 2]" 1
557 1 32 ILE H 1 32 ILE HG12 . . 4.650 4.097 3.870 4.186 . 0 0 "[ . 1 . 2]" 1
558 1 32 ILE H 1 32 ILE HG13 . . 4.440 4.256 4.082 4.377 . 0 0 "[ . 1 . 2]" 1
559 1 32 ILE H 1 32 ILE MG . . 4.090 3.467 3.259 3.611 . 0 0 "[ . 1 . 2]" 1
560 1 32 ILE H 1 33 THR H . . 2.920 2.374 2.256 2.578 . 0 0 "[ . 1 . 2]" 1
561 1 32 ILE H 1 33 THR HB . . 5.260 4.801 4.535 5.214 . 0 0 "[ . 1 . 2]" 1
562 1 32 ILE H 1 33 THR MG . . 3.840 3.913 3.809 3.933 0.093 15 0 "[ . 1 . 2]" 1
563 1 32 ILE H 1 34 ASN H . . 3.530 3.514 3.342 3.595 0.065 8 0 "[ . 1 . 2]" 1
564 1 32 ILE H 1 35 ALA H . . 4.930 4.910 4.773 4.987 0.057 8 0 "[ . 1 . 2]" 1
565 1 32 ILE HA 1 32 ILE MD . . 3.700 2.280 2.171 2.515 . 0 0 "[ . 1 . 2]" 1
566 1 32 ILE HA 1 32 ILE HG12 . . 4.030 3.640 3.592 3.696 . 0 0 "[ . 1 . 2]" 1
567 1 32 ILE HA 1 32 ILE HG13 . . 3.790 2.532 2.446 2.619 . 0 0 "[ . 1 . 2]" 1
568 1 32 ILE HA 1 32 ILE MG . . 3.230 2.885 2.764 3.047 . 0 0 "[ . 1 . 2]" 1
569 1 32 ILE HA 1 34 ASN H . . 4.590 4.518 4.375 4.632 0.042 15 0 "[ . 1 . 2]" 1
570 1 32 ILE HB 1 32 ILE MD . . 3.550 2.422 2.284 2.533 . 0 0 "[ . 1 . 2]" 1
571 1 32 ILE HB 1 33 THR H . . 3.190 3.106 2.954 3.240 0.050 16 0 "[ . 1 . 2]" 1
572 1 32 ILE HB 1 33 THR MG . . 4.140 4.110 3.703 4.221 0.081 6 0 "[ . 1 . 2]" 1
573 1 32 ILE MD 1 33 THR H . . 5.340 4.356 4.233 4.481 . 0 0 "[ . 1 . 2]" 1
574 1 32 ILE HG12 1 32 ILE MG . . 3.660 2.268 2.197 2.315 . 0 0 "[ . 1 . 2]" 1
575 1 32 ILE MG 1 33 THR H . . 4.100 3.006 2.704 3.254 . 0 0 "[ . 1 . 2]" 1
576 1 32 ILE MG 1 33 THR HA . . 4.090 3.663 3.550 3.815 . 0 0 "[ . 1 . 2]" 1
577 1 32 ILE MG 1 33 THR HB . . 4.970 2.401 2.187 2.782 . 0 0 "[ . 1 . 2]" 1
578 1 32 ILE MG 1 33 THR MG . . 3.290 3.307 2.962 3.388 0.098 10 0 "[ . 1 . 2]" 1
579 1 33 THR H 1 33 THR HB . . 3.780 2.847 2.664 3.083 . 0 0 "[ . 1 . 2]" 1
580 1 33 THR H 1 33 THR MG . . 2.940 2.195 2.062 2.285 . 0 0 "[ . 1 . 2]" 1
581 1 33 THR H 1 34 ASN H . . 2.900 2.074 1.866 2.189 . 0 0 "[ . 1 . 2]" 1
582 1 33 THR H 1 34 ASN HA . . 4.320 4.221 4.012 4.337 0.017 5 0 "[ . 1 . 2]" 1
583 1 33 THR H 1 34 ASN HB2 . . 4.830 4.861 4.724 4.896 0.066 11 0 "[ . 1 . 2]" 1
584 1 33 THR H 1 34 ASN HB3 . . 5.500 5.468 5.228 5.564 0.064 15 0 "[ . 1 . 2]" 1
585 1 33 THR H 1 35 ALA H . . 3.660 3.558 3.369 3.661 0.001 4 0 "[ . 1 . 2]" 1
586 1 33 THR H 1 35 ALA MB . . 4.670 4.365 4.239 4.486 . 0 0 "[ . 1 . 2]" 1
587 1 33 THR HA 1 33 THR MG . . 3.250 3.201 3.166 3.243 . 0 0 "[ . 1 . 2]" 1
588 1 33 THR HA 1 35 ALA H . . 5.050 4.988 4.744 5.100 0.050 4 0 "[ . 1 . 2]" 1
589 1 33 THR HA 1 35 ALA MB . . 5.330 5.022 4.784 5.198 . 0 0 "[ . 1 . 2]" 1
590 1 33 THR HB 1 34 ASN H . . 4.400 4.315 4.204 4.450 0.050 5 0 "[ . 1 . 2]" 1
591 1 33 THR HB 1 35 ALA H . . 5.060 5.099 4.948 5.131 0.071 11 0 "[ . 1 . 2]" 1
592 1 33 THR HB 1 35 ALA MB . . 4.570 4.491 4.293 4.597 0.027 15 0 "[ . 1 . 2]" 1
593 1 33 THR MG 1 34 ASN H . . 3.640 3.026 2.774 3.309 . 0 0 "[ . 1 . 2]" 1
594 1 33 THR MG 1 35 ALA H . . 3.740 2.585 2.433 2.722 . 0 0 "[ . 1 . 2]" 1
595 1 33 THR MG 1 36 SER H . . 5.500 5.493 5.372 5.574 0.074 5 0 "[ . 1 . 2]" 1
596 1 34 ASN H 1 34 ASN HA . . 2.550 2.226 2.180 2.264 . 0 0 "[ . 1 . 2]" 1
597 1 34 ASN H 1 34 ASN HB2 . . 3.560 3.005 2.899 3.167 . 0 0 "[ . 1 . 2]" 1
598 1 34 ASN H 1 34 ASN HB3 . . 4.010 3.715 3.550 3.892 . 0 0 "[ . 1 . 2]" 1
599 1 34 ASN H 1 35 ALA H . . 3.000 2.652 2.476 2.769 . 0 0 "[ . 1 . 2]" 1
600 1 34 ASN H 1 35 ALA MB . . 4.500 4.256 4.100 4.355 . 0 0 "[ . 1 . 2]" 1
601 1 34 ASN HA 1 35 ALA H . . 3.100 2.673 2.472 2.845 . 0 0 "[ . 1 . 2]" 1
602 1 34 ASN HA 1 35 ALA MB . . 5.500 4.503 4.360 4.611 . 0 0 "[ . 1 . 2]" 1
603 1 34 ASN HA 1 36 SER H . . 5.500 5.505 5.318 5.560 0.060 4 0 "[ . 1 . 2]" 1
604 1 34 ASN HB2 1 35 ALA H . . 4.640 4.536 4.438 4.594 . 0 0 "[ . 1 . 2]" 1
605 1 34 ASN HB2 1 35 ALA MB . . 5.500 5.584 5.557 5.594 0.094 7 0 "[ . 1 . 2]" 1
606 1 34 ASN HB3 1 35 ALA H . . 4.330 4.325 4.223 4.375 0.045 11 0 "[ . 1 . 2]" 1
607 1 34 ASN HB3 1 35 ALA MB . . 5.140 4.824 4.723 4.924 . 0 0 "[ . 1 . 2]" 1
608 1 35 ALA H 1 35 ALA MB . . 2.690 2.413 2.331 2.609 . 0 0 "[ . 1 . 2]" 1
609 1 35 ALA H 1 36 SER H . . 4.390 4.249 4.025 4.363 . 0 0 "[ . 1 . 2]" 1
610 1 35 ALA H 1 36 SER HA . . 5.050 4.947 4.766 5.082 0.032 20 0 "[ . 1 . 2]" 1
611 1 35 ALA HA 1 36 SER H . . 2.490 2.165 2.089 2.238 . 0 0 "[ . 1 . 2]" 1
612 1 35 ALA MB 1 36 SER H . . 3.370 3.257 3.182 3.351 . 0 0 "[ . 1 . 2]" 1
613 1 35 ALA MB 1 36 SER HA . . 4.940 4.162 4.091 4.285 . 0 0 "[ . 1 . 2]" 1
614 1 35 ALA MB 1 37 GLN H . . 5.410 5.427 5.242 5.484 0.074 6 0 "[ . 1 . 2]" 1
615 1 36 SER H 1 36 SER HB2 . . 3.980 3.792 3.646 3.903 . 0 0 "[ . 1 . 2]" 1
616 1 36 SER H 1 36 SER HB3 . . 3.630 3.293 2.876 3.672 0.042 16 0 "[ . 1 . 2]" 1
617 1 36 SER H 1 37 GLN H . . 4.420 4.440 4.284 4.480 0.060 14 0 "[ . 1 . 2]" 1
618 1 36 SER H 1 37 GLN QB . . 5.340 4.562 4.280 4.758 . 0 0 "[ . 1 . 2]" 1
619 1 36 SER HA 1 37 GLN H . . 2.860 2.234 2.183 2.312 . 0 0 "[ . 1 . 2]" 1
620 1 36 SER HA 1 37 GLN HA . . 4.990 4.459 4.408 4.494 . 0 0 "[ . 1 . 2]" 1
621 1 36 SER HA 1 37 GLN QB . . 5.140 4.516 4.408 4.605 . 0 0 "[ . 1 . 2]" 1
622 1 36 SER HB2 1 37 GLN H . . 3.510 3.140 2.914 3.454 . 0 0 "[ . 1 . 2]" 1
623 1 36 SER HB3 1 37 GLN H . . 4.400 4.111 3.843 4.457 0.057 10 0 "[ . 1 . 2]" 1
624 1 37 GLN H 1 37 GLN QB . . 3.280 3.356 3.326 3.370 0.090 19 0 "[ . 1 . 2]" 1
625 1 37 GLN H 1 38 TRP H . . 4.320 4.294 4.239 4.356 0.036 11 0 "[ . 1 . 2]" 1
626 1 37 GLN H 1 38 TRP HA . . 4.900 4.738 4.610 4.820 . 0 0 "[ . 1 . 2]" 1
627 1 37 GLN H 1 39 GLU H . . 4.710 4.610 4.400 4.763 0.053 18 0 "[ . 1 . 2]" 1
628 1 37 GLN QB 1 38 TRP H . . 3.690 2.346 2.172 2.603 . 0 0 "[ . 1 . 2]" 1
629 1 37 GLN QB 1 38 TRP HD1 . . 4.470 3.853 3.380 4.233 . 0 0 "[ . 1 . 2]" 1
630 1 37 GLN QB 1 39 GLU H . . 2.970 2.277 1.921 2.637 . 0 0 "[ . 1 . 2]" 1
631 1 37 GLN HB2 1 38 TRP HE1 . . 5.500 4.197 3.598 4.603 . 0 0 "[ . 1 . 2]" 1
632 1 37 GLN HB3 1 38 TRP HE1 . . 5.500 5.438 4.939 5.567 0.067 1 0 "[ . 1 . 2]" 1
633 1 38 TRP H 1 38 TRP HB2 . . 3.660 3.492 3.426 3.561 . 0 0 "[ . 1 . 2]" 1
634 1 38 TRP H 1 38 TRP HB3 . . 3.270 2.949 2.745 3.144 . 0 0 "[ . 1 . 2]" 1
635 1 38 TRP H 1 38 TRP HD1 . . 3.440 3.168 2.814 3.389 . 0 0 "[ . 1 . 2]" 1
636 1 38 TRP H 1 38 TRP HE1 . . 4.680 4.011 3.699 4.305 . 0 0 "[ . 1 . 2]" 1
637 1 38 TRP H 1 39 GLU H . . 3.030 2.425 2.171 2.777 . 0 0 "[ . 1 . 2]" 1
638 1 38 TRP H 1 39 GLU HA . . 5.440 4.966 4.817 5.252 . 0 0 "[ . 1 . 2]" 1
639 1 38 TRP H 1 39 GLU QB . . 4.410 3.994 3.760 4.412 0.002 2 0 "[ . 1 . 2]" 1
640 1 38 TRP HB2 1 38 TRP HE1 . . 5.070 4.944 4.863 5.049 . 0 0 "[ . 1 . 2]" 1
641 1 38 TRP HB2 1 39 GLU H . . 4.150 3.926 3.699 4.136 . 0 0 "[ . 1 . 2]" 1
642 1 38 TRP HB2 1 40 ARG H . . 5.500 5.555 5.492 5.573 0.073 6 0 "[ . 1 . 2]" 1
643 1 38 TRP HB3 1 39 GLU H . . 4.500 4.387 4.247 4.542 0.042 4 0 "[ . 1 . 2]" 1
644 1 38 TRP HD1 1 39 GLU H . . 3.630 2.669 2.273 3.145 . 0 0 "[ . 1 . 2]" 1
645 1 38 TRP HD1 1 40 ARG H . . 5.460 5.146 4.817 5.497 0.037 17 0 "[ . 1 . 2]" 1
646 1 38 TRP HE1 1 39 GLU H . . 5.370 4.279 3.995 4.630 . 0 0 "[ . 1 . 2]" 1
647 1 38 TRP HE1 1 39 GLU HA . . 5.470 5.294 4.924 5.531 0.061 4 0 "[ . 1 . 2]" 1
648 1 39 GLU H 1 39 GLU QB . . 2.790 2.176 1.998 2.330 . 0 0 "[ . 1 . 2]" 1
649 1 39 GLU H 1 39 GLU HG2 . . 4.660 4.425 4.203 4.620 . 0 0 "[ . 1 . 2]" 1
650 1 39 GLU H 1 39 GLU HG3 . . 4.660 4.361 3.675 4.603 . 0 0 "[ . 1 . 2]" 1
651 1 39 GLU H 1 40 ARG H . . 4.690 4.383 4.218 4.539 . 0 0 "[ . 1 . 2]" 1
652 1 39 GLU HA 1 39 GLU HG2 . . 4.040 3.070 2.539 3.598 . 0 0 "[ . 1 . 2]" 1
653 1 39 GLU HA 1 39 GLU QG . . 3.530 2.358 2.123 2.685 . 0 0 "[ . 1 . 2]" 1
654 1 39 GLU HA 1 39 GLU HG3 . . 4.040 2.462 2.276 2.817 . 0 0 "[ . 1 . 2]" 1
655 1 39 GLU HA 1 40 ARG H . . 2.620 2.147 2.014 2.279 . 0 0 "[ . 1 . 2]" 1
656 1 39 GLU HA 1 40 ARG QB . . 4.760 4.111 3.884 4.347 . 0 0 "[ . 1 . 2]" 1
657 1 39 GLU QB 1 40 ARG H . . 3.940 3.878 3.651 3.998 0.058 12 0 "[ . 1 . 2]" 1
658 1 39 GLU QG 1 40 ARG QB . . 5.310 4.134 3.666 4.482 . 0 0 "[ . 1 . 2]" 1
659 1 39 GLU HG2 1 40 ARG H . . 3.910 3.578 3.079 3.960 0.050 5 0 "[ . 1 . 2]" 1
660 1 39 GLU HG3 1 40 ARG H . . 3.910 3.571 2.567 3.964 0.054 14 0 "[ . 1 . 2]" 1
661 1 40 ARG H 1 40 ARG QB . . 2.710 2.207 1.981 2.435 . 0 0 "[ . 1 . 2]" 1
662 1 40 ARG H 1 40 ARG QD . . 3.950 3.865 3.301 4.031 0.081 13 0 "[ . 1 . 2]" 1
663 1 40 ARG H 1 40 ARG QG . . 4.040 3.202 2.260 4.099 0.059 15 0 "[ . 1 . 2]" 1
664 1 40 ARG HA 1 40 ARG HG2 . . 4.240 2.758 2.440 3.286 . 0 0 "[ . 1 . 2]" 1
665 1 40 ARG HA 1 40 ARG QG . . 3.720 2.371 2.125 2.719 . 0 0 "[ . 1 . 2]" 1
666 1 40 ARG HA 1 40 ARG HG3 . . 4.240 2.753 2.152 3.574 . 0 0 "[ . 1 . 2]" 1
667 1 40 ARG HA 1 41 PRO HA . . 4.760 4.486 4.417 4.542 . 0 0 "[ . 1 . 2]" 1
668 1 40 ARG HA 1 41 PRO HD2 . . 3.550 2.182 2.022 2.442 . 0 0 "[ . 1 . 2]" 1
669 1 40 ARG HA 1 41 PRO HD3 . . 3.550 2.381 2.206 2.562 . 0 0 "[ . 1 . 2]" 1
670 1 40 ARG HA 1 41 PRO HG2 . . 4.960 4.335 4.182 4.489 . 0 0 "[ . 1 . 2]" 1
671 1 40 ARG HA 1 41 PRO HG3 . . 4.710 4.507 4.377 4.604 . 0 0 "[ . 1 . 2]" 1
672 1 40 ARG QB 1 41 PRO HD2 . . 4.710 3.341 2.679 3.787 . 0 0 "[ . 1 . 2]" 1
673 1 40 ARG QB 1 41 PRO QD . . 4.120 3.213 2.633 3.611 . 0 0 "[ . 1 . 2]" 1
674 1 40 ARG QB 1 41 PRO HD3 . . 4.710 4.222 3.879 4.554 . 0 0 "[ . 1 . 2]" 1
675 1 40 ARG QG 1 41 PRO QD . . 3.810 2.686 1.939 3.486 . 0 0 "[ . 1 . 2]" 1
676 1 40 ARG HG2 1 41 PRO HD2 . . 4.990 2.943 2.146 3.833 . 0 0 "[ . 1 . 2]" 1
677 1 40 ARG HG2 1 41 PRO HD3 . . 4.990 4.294 3.669 4.963 . 0 0 "[ . 1 . 2]" 1
678 1 40 ARG HG3 1 41 PRO HD2 . . 4.990 3.654 2.136 4.575 . 0 0 "[ . 1 . 2]" 1
679 1 40 ARG HG3 1 41 PRO HD3 . . 4.990 4.684 3.256 5.058 0.068 3 0 "[ . 1 . 2]" 1
680 1 41 PRO HA 1 42 SER H . . 3.000 2.626 2.489 2.757 . 0 0 "[ . 1 . 2]" 1
681 1 41 PRO HA 1 42 SER HA . . 4.910 4.643 4.583 4.708 . 0 0 "[ . 1 . 2]" 1
682 1 41 PRO HB2 1 42 SER H . . 4.010 2.294 2.074 2.457 . 0 0 "[ . 1 . 2]" 1
683 1 41 PRO HB2 1 43 GLY H . . 3.800 3.600 3.455 3.666 . 0 0 "[ . 1 . 2]" 1
684 1 41 PRO HB3 1 42 SER H . . 4.070 3.402 3.245 3.542 . 0 0 "[ . 1 . 2]" 1
685 1 41 PRO HB3 1 43 GLY H . . 5.350 5.363 5.210 5.412 0.062 17 0 "[ . 1 . 2]" 1
686 1 41 PRO HD2 1 42 SER H . . 5.500 5.458 5.270 5.546 0.046 14 0 "[ . 1 . 2]" 1
687 1 41 PRO HD3 1 42 SER H . . 5.500 5.446 5.302 5.547 0.047 14 0 "[ . 1 . 2]" 1
688 1 41 PRO HG2 1 42 SER H . . 4.840 4.100 3.916 4.220 . 0 0 "[ . 1 . 2]" 1
689 1 41 PRO HG2 1 43 GLY H . . 4.800 4.374 4.237 4.623 . 0 0 "[ . 1 . 2]" 1
690 1 41 PRO HG3 1 42 SER H . . 5.160 4.831 4.663 4.994 . 0 0 "[ . 1 . 2]" 1
691 1 41 PRO HG3 1 43 GLY H . . 5.500 5.546 5.400 5.574 0.074 1 0 "[ . 1 . 2]" 1
692 1 42 SER H 1 42 SER QB . . 3.580 2.952 2.617 3.364 . 0 0 "[ . 1 . 2]" 1
693 1 42 SER H 1 43 GLY H . . 3.900 3.103 2.903 3.329 . 0 0 "[ . 1 . 2]" 1
694 1 42 SER H 1 43 GLY QA . . 4.810 3.983 3.707 4.299 . 0 0 "[ . 1 . 2]" 1
695 1 42 SER HA 1 43 GLY H . . 2.700 2.385 2.237 2.514 . 0 0 "[ . 1 . 2]" 1
696 1 42 SER HA 1 43 GLY QA . . 4.810 4.035 3.935 4.109 . 0 0 "[ . 1 . 2]" 1
697 1 42 SER HB2 1 43 GLY H . . 4.800 4.512 4.243 4.712 . 0 0 "[ . 1 . 2]" 1
698 1 42 SER HB3 1 43 GLY H . . 4.800 4.428 4.206 4.616 . 0 0 "[ . 1 . 2]" 1
699 1 43 GLY H 1 43 GLY QA . . 2.700 2.364 2.238 2.495 . 0 0 "[ . 1 . 2]" 1
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