NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593734 |
2mt7   |
25151 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mt7
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 695
_Distance_constraint_stats_list.Viol_count 611
_Distance_constraint_stats_list.Viol_total 210.933
_Distance_constraint_stats_list.Viol_max 0.104
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0173
_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 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.434 0.028 5 0 "[ . 1 . 2]"
1 5 LEU 0.139 0.007 19 0 "[ . 1 . 2]"
1 6 GLY 0.395 0.025 3 0 "[ . 1 . 2]"
1 7 PHE 2.850 0.104 19 0 "[ . 1 . 2]"
1 8 TRP 4.154 0.104 19 0 "[ . 1 . 2]"
1 9 SER 0.061 0.007 19 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.716 0.029 17 0 "[ . 1 . 2]"
1 12 ASN 0.525 0.011 8 0 "[ . 1 . 2]"
1 13 PRO 0.798 0.029 17 0 "[ . 1 . 2]"
1 14 LYS 0.131 0.009 20 0 "[ . 1 . 2]"
1 15 ASN 0.148 0.007 8 0 "[ . 1 . 2]"
1 16 ASP 0.981 0.039 9 0 "[ . 1 . 2]"
1 17 LYS 0.062 0.011 10 0 "[ . 1 . 2]"
1 18 CYS 0.691 0.039 9 0 "[ . 1 . 2]"
1 19 CYS 0.024 0.008 4 0 "[ . 1 . 2]"
1 20 ALA 0.417 0.028 5 0 "[ . 1 . 2]"
1 21 ASN 0.019 0.008 4 0 "[ . 1 . 2]"
1 22 LEU 1.299 0.025 3 0 "[ . 1 . 2]"
1 23 VAL 0.508 0.030 9 0 "[ . 1 . 2]"
1 24 CYS 0.352 0.022 5 0 "[ . 1 . 2]"
1 25 SER 1.543 0.050 5 0 "[ . 1 . 2]"
1 26 SER 0.007 0.004 6 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 HIS 0.914 0.050 5 0 "[ . 1 . 2]"
1 29 LYS 0.220 0.009 6 0 "[ . 1 . 2]"
1 30 TRP 0.340 0.016 3 0 "[ . 1 . 2]"
1 31 CYS 1.180 0.037 15 0 "[ . 1 . 2]"
1 32 LYS 1.713 0.044 4 0 "[ . 1 . 2]"
1 33 GLY 0.296 0.023 16 0 "[ . 1 . 2]"
1 34 LYS 0.137 0.011 3 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 18 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 ASN QB 1 3 ASP H . . 4.160 2.808 2.138 3.270 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASN QB 1 4 CYS H . . 4.900 4.609 4.425 4.785 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASN HB2 1 3 ASP H . . 4.820 3.547 2.155 4.288 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASN HB3 1 3 ASP H . . 4.820 3.205 2.300 3.918 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP H 1 3 ASP QB . . 3.340 2.760 2.557 3.267 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP H 1 4 CYS H . . 4.010 3.951 3.755 4.009 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP HA 1 4 CYS H . . 2.820 2.152 2.138 2.166 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASP QB 1 4 CYS H . . 3.950 3.730 3.392 3.950 . 0 0 "[ . 1 . 2]" 1
9 1 3 ASP HB2 1 4 CYS H . . 4.680 4.406 3.554 4.552 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASP HB3 1 4 CYS H . . 4.680 4.078 3.696 4.416 . 0 0 "[ . 1 . 2]" 1
11 1 4 CYS H 1 4 CYS HB2 . . 3.960 3.881 3.804 3.944 . 0 0 "[ . 1 . 2]" 1
12 1 4 CYS H 1 4 CYS HB3 . . 3.670 3.553 3.443 3.632 . 0 0 "[ . 1 . 2]" 1
13 1 4 CYS H 1 5 LEU HA . . 5.010 4.670 4.618 4.755 . 0 0 "[ . 1 . 2]" 1
14 1 4 CYS H 1 5 LEU MD2 . . 5.120 4.900 4.770 5.055 . 0 0 "[ . 1 . 2]" 1
15 1 4 CYS HA 1 4 CYS HB2 . . 3.020 2.559 2.556 2.562 . 0 0 "[ . 1 . 2]" 1
16 1 4 CYS HA 1 4 CYS HB3 . . 2.980 2.359 2.358 2.362 . 0 0 "[ . 1 . 2]" 1
17 1 4 CYS HA 1 5 LEU HB2 . . 5.100 4.813 4.801 4.847 . 0 0 "[ . 1 . 2]" 1
18 1 4 CYS HA 1 5 LEU MD2 . . 4.430 4.402 4.339 4.428 . 0 0 "[ . 1 . 2]" 1
19 1 4 CYS HA 1 19 CYS HB2 . . 4.640 4.419 4.394 4.430 . 0 0 "[ . 1 . 2]" 1
20 1 4 CYS HB2 1 5 LEU H . . 3.100 2.094 2.076 2.111 . 0 0 "[ . 1 . 2]" 1
21 1 4 CYS HB2 1 5 LEU HG . . 4.660 4.597 4.544 4.618 . 0 0 "[ . 1 . 2]" 1
22 1 4 CYS HB2 1 19 CYS H . . 3.600 3.324 3.277 3.355 . 0 0 "[ . 1 . 2]" 1
23 1 4 CYS HB2 1 19 CYS HA . . 2.950 2.916 2.902 2.930 . 0 0 "[ . 1 . 2]" 1
24 1 4 CYS HB2 1 19 CYS HB2 . . 4.830 2.028 2.013 2.037 . 0 0 "[ . 1 . 2]" 1
25 1 4 CYS HB2 1 19 CYS HB3 . . 5.060 3.608 3.600 3.613 . 0 0 "[ . 1 . 2]" 1
26 1 4 CYS HB2 1 20 ALA H . . 4.880 4.858 4.849 4.866 . 0 0 "[ . 1 . 2]" 1
27 1 4 CYS HB3 1 5 LEU H . . 3.460 3.458 3.450 3.463 0.003 20 0 "[ . 1 . 2]" 1
28 1 4 CYS HB3 1 5 LEU HG . . 5.480 5.425 5.373 5.447 . 0 0 "[ . 1 . 2]" 1
29 1 4 CYS HB3 1 19 CYS H . . 4.940 4.905 4.867 4.941 0.001 3 0 "[ . 1 . 2]" 1
30 1 4 CYS HB3 1 19 CYS HA . . 3.600 3.577 3.560 3.602 0.002 4 0 "[ . 1 . 2]" 1
31 1 4 CYS HB3 1 20 ALA H . . 5.500 5.521 5.516 5.528 0.028 5 0 "[ . 1 . 2]" 1
32 1 5 LEU H 1 5 LEU HB2 . . 2.970 2.632 2.621 2.662 . 0 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 5 LEU HB3 . . 3.770 3.746 3.739 3.755 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU H 1 5 LEU MD1 . . 3.890 3.679 3.630 3.713 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU H 1 5 LEU MD2 . . 4.040 3.867 3.842 3.885 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU H 1 5 LEU HG . . 2.800 2.720 2.668 2.743 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU H 1 9 SER HB3 . . 5.500 5.502 5.493 5.507 0.007 19 0 "[ . 1 . 2]" 1
38 1 5 LEU H 1 17 LYS HB2 . . 5.140 4.931 4.796 5.080 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU H 1 17 LYS HB3 . . 4.300 4.169 4.064 4.252 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU H 1 18 CYS HA . . 3.110 2.187 2.159 2.237 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU H 1 18 CYS QB . . 4.280 4.091 4.067 4.131 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU H 1 19 CYS H . . 3.480 3.134 3.081 3.177 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU H 1 19 CYS HB2 . . 5.230 3.000 2.953 3.031 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU H 1 19 CYS HB3 . . 5.270 4.693 4.647 4.727 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU HA 1 5 LEU MD1 . . 4.080 3.950 3.945 3.963 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU HA 1 5 LEU MD2 . . 2.860 2.253 2.193 2.423 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU HA 1 5 LEU HG . . 4.070 3.035 3.018 3.056 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU HA 1 6 GLY H . . 2.590 2.401 2.378 2.418 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU HA 1 6 GLY HA2 . . 4.500 4.335 4.329 4.337 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU HA 1 6 GLY HA3 . . 4.470 4.450 4.444 4.453 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU HA 1 9 SER HB2 . . 5.280 4.759 4.741 4.787 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU HA 1 9 SER HB3 . . 4.860 4.542 4.517 4.573 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU HA 1 18 CYS HA . . 5.260 4.325 4.304 4.364 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU HB2 1 5 LEU MD1 . . 3.230 2.244 2.163 2.265 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU HB2 1 5 LEU MD2 . . 3.490 3.171 3.159 3.176 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU HB2 1 6 GLY H . . 4.060 3.525 3.493 3.564 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU HB2 1 9 SER HB2 . . 4.140 4.050 3.976 4.082 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU HB2 1 9 SER HB3 . . 4.000 2.962 2.918 2.981 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU HB2 1 11 CYS HB3 . . 4.550 4.312 4.293 4.334 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU HB2 1 18 CYS H . . 5.000 4.501 4.459 4.570 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU HB2 1 18 CYS HA . . 3.040 2.123 2.090 2.174 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU HB2 1 18 CYS QB . . 3.660 3.609 3.582 3.662 0.002 4 0 "[ . 1 . 2]" 1
63 1 5 LEU HB2 1 19 CYS H . . 3.910 3.780 3.732 3.805 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU HB3 1 5 LEU MD1 . . 3.250 2.481 2.457 2.511 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU HB3 1 5 LEU MD2 . . 3.210 2.268 2.152 2.297 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU HB3 1 6 GLY H . . 3.550 2.454 2.413 2.510 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU HB3 1 9 SER H . . 5.030 4.838 4.816 4.869 . 0 0 "[ . 1 . 2]" 1
68 1 5 LEU HB3 1 9 SER HB2 . . 3.270 2.987 2.976 3.002 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU HB3 1 9 SER HB3 . . 3.280 2.210 2.183 2.241 . 0 0 "[ . 1 . 2]" 1
70 1 5 LEU HB3 1 18 CYS HA . . 3.990 3.846 3.812 3.901 . 0 0 "[ . 1 . 2]" 1
71 1 5 LEU HB3 1 19 CYS H . . 5.340 5.057 5.002 5.111 . 0 0 "[ . 1 . 2]" 1
72 1 5 LEU MD1 1 6 GLY H . . 4.650 4.583 4.550 4.643 . 0 0 "[ . 1 . 2]" 1
73 1 5 LEU MD1 1 9 SER HB2 . . 4.350 4.226 4.206 4.247 . 0 0 "[ . 1 . 2]" 1
74 1 5 LEU MD1 1 9 SER HB3 . . 3.920 2.720 2.699 2.753 . 0 0 "[ . 1 . 2]" 1
75 1 5 LEU MD1 1 10 ALA H . . 4.940 4.793 4.744 4.846 . 0 0 "[ . 1 . 2]" 1
76 1 5 LEU MD1 1 11 CYS H . . 4.640 4.631 4.610 4.645 0.005 4 0 "[ . 1 . 2]" 1
77 1 5 LEU MD1 1 11 CYS HA . . 3.640 3.199 3.177 3.213 . 0 0 "[ . 1 . 2]" 1
78 1 5 LEU MD1 1 11 CYS HB2 . . 3.230 3.224 3.207 3.233 0.003 3 0 "[ . 1 . 2]" 1
79 1 5 LEU MD1 1 11 CYS HB3 . . 3.080 2.232 2.223 2.251 . 0 0 "[ . 1 . 2]" 1
80 1 5 LEU MD1 1 12 ASN H . . 4.340 4.342 4.331 4.347 0.007 19 0 "[ . 1 . 2]" 1
81 1 5 LEU MD1 1 17 LYS H . . 3.990 3.091 3.029 3.149 . 0 0 "[ . 1 . 2]" 1
82 1 5 LEU MD1 1 17 LYS HA . . 5.000 4.434 4.403 4.485 . 0 0 "[ . 1 . 2]" 1
83 1 5 LEU MD1 1 17 LYS HB2 . . 3.320 2.567 2.337 2.699 . 0 0 "[ . 1 . 2]" 1
84 1 5 LEU MD1 1 17 LYS HB3 . . 3.850 3.386 3.225 3.528 . 0 0 "[ . 1 . 2]" 1
85 1 5 LEU MD1 1 18 CYS H . . 4.360 3.789 3.695 3.892 . 0 0 "[ . 1 . 2]" 1
86 1 5 LEU MD1 1 18 CYS HA . . 4.580 3.180 3.077 3.267 . 0 0 "[ . 1 . 2]" 1
87 1 5 LEU MD2 1 6 GLY H . . 3.830 3.569 3.498 3.649 . 0 0 "[ . 1 . 2]" 1
88 1 5 LEU MD2 1 9 SER HB2 . . 4.440 4.270 4.184 4.325 . 0 0 "[ . 1 . 2]" 1
89 1 5 LEU MD2 1 9 SER HB3 . . 3.840 3.504 3.439 3.568 . 0 0 "[ . 1 . 2]" 1
90 1 5 LEU MD2 1 10 ALA H . . 5.350 5.243 5.206 5.314 . 0 0 "[ . 1 . 2]" 1
91 1 5 LEU MD2 1 18 CYS HA . . 4.820 4.637 4.625 4.659 . 0 0 "[ . 1 . 2]" 1
92 1 5 LEU HG 1 6 GLY H . . 5.140 4.858 4.834 4.890 . 0 0 "[ . 1 . 2]" 1
93 1 5 LEU HG 1 9 SER HB3 . . 4.890 4.796 4.771 4.810 . 0 0 "[ . 1 . 2]" 1
94 1 5 LEU HG 1 11 CYS HB3 . . 5.370 4.868 4.844 4.888 . 0 0 "[ . 1 . 2]" 1
95 1 5 LEU HG 1 17 LYS HB3 . . 4.090 3.171 2.984 3.298 . 0 0 "[ . 1 . 2]" 1
96 1 5 LEU HG 1 18 CYS HA . . 4.360 3.537 3.508 3.571 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLY H 1 6 GLY HA3 . . 2.550 2.341 2.331 2.347 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLY H 1 9 SER HB3 . . 3.660 3.564 3.514 3.649 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLY H 1 22 LEU MD1 . . 4.610 4.630 4.623 4.635 0.025 3 0 "[ . 1 . 2]" 1
100 1 6 GLY HA2 1 7 PHE H . . 3.070 2.922 2.904 2.983 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLY HA2 1 7 PHE HA . . 4.420 4.366 4.361 4.385 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLY HA2 1 7 PHE HB2 . . 4.750 4.582 4.576 4.587 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLY HA2 1 19 CYS H . . 4.070 3.987 3.947 4.022 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLY HA2 1 19 CYS HB2 . . 4.130 3.948 3.920 3.972 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLY HA2 1 22 LEU MD1 . . 3.410 3.103 3.086 3.138 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLY HA3 1 7 PHE H . . 2.820 2.262 2.225 2.274 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLY HA3 1 7 PHE HA . . 5.020 4.460 4.437 4.467 . 0 0 "[ . 1 . 2]" 1
108 1 6 GLY HA3 1 7 PHE HB2 . . 4.660 4.439 4.403 4.450 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLY HA3 1 19 CYS H . . 5.500 5.482 5.444 5.501 0.001 12 0 "[ . 1 . 2]" 1
110 1 6 GLY HA3 1 22 LEU MD1 . . 4.120 4.099 4.073 4.111 . 0 0 "[ . 1 . 2]" 1
111 1 7 PHE H 1 7 PHE HB2 . . 2.640 2.253 2.239 2.300 . 0 0 "[ . 1 . 2]" 1
112 1 7 PHE H 1 7 PHE HB3 . . 3.190 3.041 3.039 3.045 . 0 0 "[ . 1 . 2]" 1
113 1 7 PHE H 1 8 TRP H . . 4.720 4.592 4.578 4.596 . 0 0 "[ . 1 . 2]" 1
114 1 7 PHE H 1 22 LEU MD1 . . 3.590 3.539 3.498 3.563 . 0 0 "[ . 1 . 2]" 1
115 1 7 PHE H 1 22 LEU MD2 . . 4.600 4.618 4.615 4.621 0.021 1 0 "[ . 1 . 2]" 1
116 1 7 PHE HA 1 7 PHE HD1 . . 3.620 3.051 3.042 3.069 . 0 0 "[ . 1 . 2]" 1
117 1 7 PHE HA 1 8 TRP H . . 2.590 2.284 2.282 2.291 . 0 0 "[ . 1 . 2]" 1
118 1 7 PHE HA 1 8 TRP HA . . 4.550 4.430 4.426 4.436 . 0 0 "[ . 1 . 2]" 1
119 1 7 PHE HA 1 9 SER H . . 3.690 3.386 3.322 3.453 . 0 0 "[ . 1 . 2]" 1
120 1 7 PHE HA 1 22 LEU MD1 . . 3.280 2.116 2.090 2.167 . 0 0 "[ . 1 . 2]" 1
121 1 7 PHE HA 1 22 LEU MD2 . . 3.820 2.481 2.337 2.520 . 0 0 "[ . 1 . 2]" 1
122 1 7 PHE HA 1 31 CYS H . . 5.220 5.131 5.103 5.141 . 0 0 "[ . 1 . 2]" 1
123 1 7 PHE HA 1 31 CYS HB2 . . 3.480 3.109 3.083 3.125 . 0 0 "[ . 1 . 2]" 1
124 1 7 PHE HA 1 31 CYS HB3 . . 3.810 3.524 3.494 3.544 . 0 0 "[ . 1 . 2]" 1
125 1 7 PHE HA 1 32 LYS HA . . 4.910 4.580 4.575 4.588 . 0 0 "[ . 1 . 2]" 1
126 1 7 PHE HB2 1 8 TRP H . . 4.230 4.196 4.187 4.200 . 0 0 "[ . 1 . 2]" 1
127 1 7 PHE HB2 1 8 TRP HD1 . . 4.370 4.397 4.395 4.399 0.029 1 0 "[ . 1 . 2]" 1
128 1 7 PHE HB2 1 8 TRP HE1 . . 5.360 4.962 4.931 4.975 . 0 0 "[ . 1 . 2]" 1
129 1 7 PHE HB2 1 22 LEU MD1 . . 4.000 3.555 3.352 3.602 . 0 0 "[ . 1 . 2]" 1
130 1 7 PHE HB2 1 22 LEU MD2 . . 3.960 3.716 3.696 3.723 . 0 0 "[ . 1 . 2]" 1
131 1 7 PHE HB3 1 7 PHE HD1 . . 3.320 2.626 2.617 2.630 . 0 0 "[ . 1 . 2]" 1
132 1 7 PHE HB3 1 8 TRP H . . 3.630 3.299 3.281 3.306 . 0 0 "[ . 1 . 2]" 1
133 1 7 PHE HB3 1 8 TRP HB2 . . 4.860 3.926 3.922 3.934 . 0 0 "[ . 1 . 2]" 1
134 1 7 PHE HB3 1 8 TRP HD1 . . 3.250 2.711 2.706 2.724 . 0 0 "[ . 1 . 2]" 1
135 1 7 PHE HB3 1 8 TRP HE1 . . 4.580 3.572 3.536 3.587 . 0 0 "[ . 1 . 2]" 1
136 1 7 PHE HB3 1 22 LEU MD1 . . 4.490 4.432 4.282 4.485 . 0 0 "[ . 1 . 2]" 1
137 1 7 PHE HB3 1 22 LEU MD2 . . 4.990 4.229 4.115 4.258 . 0 0 "[ . 1 . 2]" 1
138 1 7 PHE QD 1 8 TRP H . . 4.220 1.933 1.931 1.934 . 0 0 "[ . 1 . 2]" 1
139 1 7 PHE QD 1 22 LEU MD1 . . 4.360 3.256 3.081 3.302 . 0 0 "[ . 1 . 2]" 1
140 1 7 PHE QD 1 22 LEU MD2 . . 3.690 2.742 2.735 2.770 . 0 0 "[ . 1 . 2]" 1
141 1 7 PHE QD 1 32 LYS HA . . 4.140 3.210 3.169 3.221 . 0 0 "[ . 1 . 2]" 1
142 1 7 PHE HD1 1 8 TRP H . . 3.580 1.933 1.932 1.935 . 0 0 "[ . 1 . 2]" 1
143 1 7 PHE HD1 1 8 TRP HA . . 4.010 3.471 3.458 3.480 . 0 0 "[ . 1 . 2]" 1
144 1 7 PHE HD1 1 22 LEU MD1 . . 4.910 4.503 4.444 4.545 . 0 0 "[ . 1 . 2]" 1
145 1 7 PHE HD1 1 33 GLY H . . 4.910 4.834 4.819 4.869 . 0 0 "[ . 1 . 2]" 1
146 1 7 PHE QE 1 22 LEU MD2 . . 4.140 2.530 2.500 2.677 . 0 0 "[ . 1 . 2]" 1
147 1 7 PHE QE 1 32 LYS HA . . 3.990 2.385 2.322 2.402 . 0 0 "[ . 1 . 2]" 1
148 1 7 PHE QE 1 33 GLY H . . 4.130 2.589 2.577 2.604 . 0 0 "[ . 1 . 2]" 1
149 1 7 PHE QE 1 33 GLY HA3 . . 4.510 3.602 3.591 3.611 . 0 0 "[ . 1 . 2]" 1
150 1 7 PHE HE1 1 8 TRP H . . 4.230 3.818 3.816 3.820 . 0 0 "[ . 1 . 2]" 1
151 1 7 PHE HE1 1 8 TRP HE1 . . 4.690 4.580 4.533 4.692 0.002 3 0 "[ . 1 . 2]" 1
152 1 7 PHE HE1 1 22 LEU MD1 . . 5.500 5.326 5.264 5.357 . 0 0 "[ . 1 . 2]" 1
153 1 7 PHE HE1 1 22 LEU MD2 . . 4.010 3.480 3.312 3.522 . 0 0 "[ . 1 . 2]" 1
154 1 7 PHE HE1 1 32 LYS HA . . 3.810 2.387 2.323 2.404 . 0 0 "[ . 1 . 2]" 1
155 1 7 PHE HE1 1 32 LYS HB2 . . 4.100 3.567 3.514 3.584 . 0 0 "[ . 1 . 2]" 1
156 1 7 PHE HE1 1 32 LYS HD3 . . 5.370 5.150 5.069 5.180 . 0 0 "[ . 1 . 2]" 1
157 1 7 PHE HE1 1 33 GLY H . . 3.550 2.594 2.582 2.609 . 0 0 "[ . 1 . 2]" 1
158 1 7 PHE HE1 1 33 GLY HA2 . . 4.920 4.354 4.299 4.379 . 0 0 "[ . 1 . 2]" 1
159 1 7 PHE HE1 1 33 GLY HA3 . . 4.340 3.820 3.804 3.832 . 0 0 "[ . 1 . 2]" 1
160 1 7 PHE HZ 1 8 TRP H . . 5.500 5.598 5.588 5.604 0.104 19 0 "[ . 1 . 2]" 1
161 1 7 PHE HZ 1 22 LEU MD2 . . 4.300 3.009 2.911 3.037 . 0 0 "[ . 1 . 2]" 1
162 1 7 PHE HZ 1 33 GLY H . . 4.080 3.090 3.073 3.114 . 0 0 "[ . 1 . 2]" 1
163 1 7 PHE HZ 1 33 GLY HA2 . . 4.450 3.105 2.991 3.141 . 0 0 "[ . 1 . 2]" 1
164 1 7 PHE HZ 1 33 GLY HA3 . . 4.330 2.422 2.401 2.444 . 0 0 "[ . 1 . 2]" 1
165 1 8 TRP H 1 8 TRP HA . . 2.690 2.278 2.277 2.279 . 0 0 "[ . 1 . 2]" 1
166 1 8 TRP H 1 8 TRP HE3 . . 4.110 3.678 3.666 3.683 . 0 0 "[ . 1 . 2]" 1
167 1 8 TRP H 1 9 SER H . . 3.230 2.759 2.738 2.780 . 0 0 "[ . 1 . 2]" 1
168 1 8 TRP H 1 22 LEU MD1 . . 4.130 3.897 3.869 3.972 . 0 0 "[ . 1 . 2]" 1
169 1 8 TRP H 1 22 LEU MD2 . . 4.540 3.488 3.236 3.553 . 0 0 "[ . 1 . 2]" 1
170 1 8 TRP H 1 30 TRP HB2 . . 4.670 4.677 4.666 4.681 0.011 7 0 "[ . 1 . 2]" 1
171 1 8 TRP H 1 31 CYS H . . 4.100 4.132 4.122 4.137 0.037 15 0 "[ . 1 . 2]" 1
172 1 8 TRP H 1 31 CYS HA . . 5.040 4.915 4.908 4.921 . 0 0 "[ . 1 . 2]" 1
173 1 8 TRP H 1 31 CYS HB2 . . 3.340 3.251 3.239 3.258 . 0 0 "[ . 1 . 2]" 1
174 1 8 TRP H 1 31 CYS HB3 . . 4.330 4.164 4.153 4.177 . 0 0 "[ . 1 . 2]" 1
175 1 8 TRP H 1 32 LYS HA . . 4.340 3.242 3.235 3.247 . 0 0 "[ . 1 . 2]" 1
176 1 8 TRP H 1 32 LYS HB2 . . 5.500 5.541 5.538 5.544 0.044 4 0 "[ . 1 . 2]" 1
177 1 8 TRP HA 1 8 TRP HE3 . . 3.310 2.356 2.345 2.362 . 0 0 "[ . 1 . 2]" 1
178 1 8 TRP HA 1 30 TRP HB2 . . 3.240 2.982 2.969 3.005 . 0 0 "[ . 1 . 2]" 1
179 1 8 TRP HA 1 30 TRP HB3 . . 4.500 4.502 4.492 4.516 0.016 3 0 "[ . 1 . 2]" 1
180 1 8 TRP HA 1 30 TRP HE3 . . 4.670 3.076 3.051 3.087 . 0 0 "[ . 1 . 2]" 1
181 1 8 TRP HA 1 31 CYS H . . 4.290 3.628 3.612 3.663 . 0 0 "[ . 1 . 2]" 1
182 1 8 TRP HB2 1 8 TRP HE1 . . 4.810 4.751 4.750 4.751 . 0 0 "[ . 1 . 2]" 1
183 1 8 TRP HB2 1 9 SER H . . 4.840 4.102 4.057 4.147 . 0 0 "[ . 1 . 2]" 1
184 1 8 TRP HB3 1 8 TRP HE3 . . 3.860 2.924 2.921 2.931 . 0 0 "[ . 1 . 2]" 1
185 1 8 TRP HB3 1 9 SER H . . 4.790 4.533 4.531 4.533 . 0 0 "[ . 1 . 2]" 1
186 1 8 TRP HB3 1 30 TRP HB2 . . 4.720 4.508 4.494 4.543 . 0 0 "[ . 1 . 2]" 1
187 1 9 SER H 1 9 SER HB2 . . 3.350 2.514 2.463 2.564 . 0 0 "[ . 1 . 2]" 1
188 1 9 SER H 1 9 SER HB3 . . 2.900 2.857 2.843 2.886 . 0 0 "[ . 1 . 2]" 1
189 1 9 SER H 1 10 ALA H . . 4.520 4.415 4.400 4.431 . 0 0 "[ . 1 . 2]" 1
190 1 9 SER H 1 30 TRP HA . . 5.000 4.722 4.629 4.796 . 0 0 "[ . 1 . 2]" 1
191 1 9 SER H 1 30 TRP HB2 . . 4.110 3.596 3.509 3.658 . 0 0 "[ . 1 . 2]" 1
192 1 9 SER H 1 31 CYS H . . 3.560 2.554 2.461 2.633 . 0 0 "[ . 1 . 2]" 1
193 1 9 SER H 1 31 CYS HB2 . . 3.130 2.006 1.989 2.043 . 0 0 "[ . 1 . 2]" 1
194 1 9 SER H 1 31 CYS HB3 . . 4.110 3.739 3.723 3.771 . 0 0 "[ . 1 . 2]" 1
195 1 9 SER HA 1 10 ALA H . . 2.540 2.141 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
196 1 9 SER HA 1 10 ALA MB . . 3.950 3.931 3.918 3.949 . 0 0 "[ . 1 . 2]" 1
197 1 9 SER HA 1 31 CYS H . . 4.360 4.190 4.165 4.207 . 0 0 "[ . 1 . 2]" 1
198 1 9 SER HA 1 31 CYS HB2 . . 4.680 4.591 4.576 4.607 . 0 0 "[ . 1 . 2]" 1
199 1 9 SER HB2 1 10 ALA H . . 4.490 4.453 4.444 4.469 . 0 0 "[ . 1 . 2]" 1
200 1 9 SER HB2 1 22 LEU MD1 . . 5.500 4.672 4.652 4.697 . 0 0 "[ . 1 . 2]" 1
201 1 9 SER HB2 1 31 CYS HB2 . . 3.390 3.385 3.369 3.394 0.004 8 0 "[ . 1 . 2]" 1
202 1 9 SER HB3 1 10 ALA H . . 4.050 4.003 3.981 4.021 . 0 0 "[ . 1 . 2]" 1
203 1 9 SER HB3 1 10 ALA MB . . 5.300 5.104 5.074 5.130 . 0 0 "[ . 1 . 2]" 1
204 1 9 SER HB3 1 11 CYS HB3 . . 4.480 4.365 4.343 4.384 . 0 0 "[ . 1 . 2]" 1
205 1 9 SER HB3 1 22 LEU MD1 . . 5.500 4.871 4.846 4.923 . 0 0 "[ . 1 . 2]" 1
206 1 9 SER HB3 1 31 CYS HB2 . . 4.130 3.062 3.030 3.110 . 0 0 "[ . 1 . 2]" 1
207 1 9 SER HB3 1 31 CYS HB3 . . 4.420 4.357 4.320 4.415 . 0 0 "[ . 1 . 2]" 1
208 1 10 ALA H 1 10 ALA MB . . 2.620 2.051 2.026 2.095 . 0 0 "[ . 1 . 2]" 1
209 1 10 ALA H 1 11 CYS H . . 4.840 4.599 4.589 4.609 . 0 0 "[ . 1 . 2]" 1
210 1 10 ALA H 1 30 TRP HA . . 4.740 4.286 4.265 4.316 . 0 0 "[ . 1 . 2]" 1
211 1 10 ALA H 1 30 TRP HB2 . . 5.180 4.105 4.067 4.145 . 0 0 "[ . 1 . 2]" 1
212 1 10 ALA H 1 30 TRP HB3 . . 5.030 4.499 4.468 4.551 . 0 0 "[ . 1 . 2]" 1
213 1 10 ALA HA 1 11 CYS H . . 2.670 2.188 2.178 2.199 . 0 0 "[ . 1 . 2]" 1
214 1 10 ALA HA 1 30 TRP HA . . 3.360 2.144 2.104 2.174 . 0 0 "[ . 1 . 2]" 1
215 1 10 ALA HA 1 30 TRP HB2 . . 4.040 3.236 3.183 3.280 . 0 0 "[ . 1 . 2]" 1
216 1 10 ALA HA 1 30 TRP HB3 . . 3.750 2.846 2.804 2.886 . 0 0 "[ . 1 . 2]" 1
217 1 10 ALA MB 1 11 CYS H . . 3.280 3.001 2.966 3.044 . 0 0 "[ . 1 . 2]" 1
218 1 10 ALA MB 1 30 TRP HA . . 4.260 3.837 3.799 3.866 . 0 0 "[ . 1 . 2]" 1
219 1 10 ALA MB 1 30 TRP HB3 . . 4.540 3.881 3.794 3.931 . 0 0 "[ . 1 . 2]" 1
220 1 10 ALA MB 1 31 CYS H . . 5.360 5.054 5.025 5.080 . 0 0 "[ . 1 . 2]" 1
221 1 11 CYS H 1 11 CYS HB2 . . 4.060 3.897 3.881 3.909 . 0 0 "[ . 1 . 2]" 1
222 1 11 CYS H 1 11 CYS HB3 . . 3.740 3.478 3.463 3.493 . 0 0 "[ . 1 . 2]" 1
223 1 11 CYS H 1 29 LYS HA . . 4.420 4.206 4.181 4.247 . 0 0 "[ . 1 . 2]" 1
224 1 11 CYS H 1 29 LYS HB2 . . 4.480 4.487 4.484 4.489 0.009 6 0 "[ . 1 . 2]" 1
225 1 11 CYS H 1 29 LYS HB3 . . 4.190 3.825 3.792 3.865 . 0 0 "[ . 1 . 2]" 1
226 1 11 CYS H 1 30 TRP H . . 4.820 4.212 4.175 4.275 . 0 0 "[ . 1 . 2]" 1
227 1 11 CYS H 1 30 TRP HA . . 3.180 2.423 2.375 2.479 . 0 0 "[ . 1 . 2]" 1
228 1 11 CYS H 1 30 TRP HB2 . . 4.820 4.656 4.613 4.702 . 0 0 "[ . 1 . 2]" 1
229 1 11 CYS H 1 30 TRP HB3 . . 4.240 4.181 4.153 4.226 . 0 0 "[ . 1 . 2]" 1
230 1 11 CYS H 1 31 CYS H . . 5.430 4.493 4.442 4.538 . 0 0 "[ . 1 . 2]" 1
231 1 11 CYS HA 1 11 CYS HB3 . . 2.960 2.391 2.389 2.394 . 0 0 "[ . 1 . 2]" 1
232 1 11 CYS HA 1 12 ASN HB3 . . 5.500 5.387 5.382 5.393 . 0 0 "[ . 1 . 2]" 1
233 1 11 CYS HB2 1 12 ASN H . . 2.900 1.947 1.943 1.952 . 0 0 "[ . 1 . 2]" 1
234 1 11 CYS HB2 1 12 ASN HB2 . . 4.700 4.414 4.405 4.420 . 0 0 "[ . 1 . 2]" 1
235 1 11 CYS HB2 1 13 PRO QD . . 5.500 5.526 5.523 5.529 0.029 17 0 "[ . 1 . 2]" 1
236 1 11 CYS HB2 1 17 LYS HB2 . . 4.570 4.304 4.234 4.405 . 0 0 "[ . 1 . 2]" 1
237 1 11 CYS HB2 1 24 CYS HB2 . . 4.320 3.821 3.796 3.845 . 0 0 "[ . 1 . 2]" 1
238 1 11 CYS HB3 1 12 ASN H . . 3.700 3.443 3.438 3.447 . 0 0 "[ . 1 . 2]" 1
239 1 11 CYS HB3 1 17 LYS H . . 4.760 3.745 3.727 3.759 . 0 0 "[ . 1 . 2]" 1
240 1 11 CYS HB3 1 17 LYS HB2 . . 5.500 4.457 4.407 4.496 . 0 0 "[ . 1 . 2]" 1
241 1 11 CYS HB3 1 18 CYS QB . . 5.390 5.220 5.206 5.232 . 0 0 "[ . 1 . 2]" 1
242 1 11 CYS HB3 1 24 CYS HB2 . . 4.830 4.671 4.650 4.692 . 0 0 "[ . 1 . 2]" 1
243 1 11 CYS HB3 1 31 CYS H . . 4.520 4.517 4.492 4.526 0.006 15 0 "[ . 1 . 2]" 1
244 1 12 ASN H 1 12 ASN HB2 . . 3.600 2.493 2.485 2.502 . 0 0 "[ . 1 . 2]" 1
245 1 12 ASN H 1 12 ASN HB3 . . 3.440 3.027 3.024 3.031 . 0 0 "[ . 1 . 2]" 1
246 1 12 ASN H 1 12 ASN HD21 . . 5.260 5.066 5.061 5.071 . 0 0 "[ . 1 . 2]" 1
247 1 12 ASN H 1 13 PRO QD . . 4.700 4.336 4.334 4.337 . 0 0 "[ . 1 . 2]" 1
248 1 12 ASN H 1 15 ASN H . . 4.900 4.189 4.152 4.212 . 0 0 "[ . 1 . 2]" 1
249 1 12 ASN HA 1 12 ASN HD21 . . 4.700 3.956 3.920 3.995 . 0 0 "[ . 1 . 2]" 1
250 1 12 ASN HA 1 13 PRO HB2 . . 5.500 5.510 5.509 5.511 0.011 8 0 "[ . 1 . 2]" 1
251 1 12 ASN HA 1 13 PRO QD . . 2.440 1.986 1.984 1.986 . 0 0 "[ . 1 . 2]" 1
252 1 12 ASN HA 1 13 PRO HG2 . . 4.640 4.357 4.355 4.358 . 0 0 "[ . 1 . 2]" 1
253 1 12 ASN HA 1 13 PRO HG3 . . 4.570 4.371 4.369 4.371 . 0 0 "[ . 1 . 2]" 1
254 1 12 ASN HA 1 14 LYS H . . 4.420 3.833 3.805 3.854 . 0 0 "[ . 1 . 2]" 1
255 1 12 ASN HA 1 29 LYS HB3 . . 4.920 4.321 4.302 4.336 . 0 0 "[ . 1 . 2]" 1
256 1 12 ASN HA 1 29 LYS QD . . 4.910 4.764 4.566 4.894 . 0 0 "[ . 1 . 2]" 1
257 1 12 ASN HB2 1 12 ASN HD21 . . 3.360 3.257 3.233 3.280 . 0 0 "[ . 1 . 2]" 1
258 1 12 ASN HB2 1 12 ASN HD22 . . 3.990 3.943 3.931 3.955 . 0 0 "[ . 1 . 2]" 1
259 1 12 ASN HB2 1 13 PRO QD . . 3.830 3.810 3.808 3.812 . 0 0 "[ . 1 . 2]" 1
260 1 12 ASN HB3 1 12 ASN HD21 . . 3.500 2.116 2.115 2.119 . 0 0 "[ . 1 . 2]" 1
261 1 12 ASN HB3 1 12 ASN HD22 . . 3.940 3.435 3.435 3.436 . 0 0 "[ . 1 . 2]" 1
262 1 12 ASN HB3 1 13 PRO QD . . 3.990 3.328 3.322 3.334 . 0 0 "[ . 1 . 2]" 1
263 1 12 ASN HB3 1 14 LYS H . . 3.940 2.796 2.721 2.840 . 0 0 "[ . 1 . 2]" 1
264 1 12 ASN HB3 1 15 ASN H . . 3.480 2.102 2.049 2.119 . 0 0 "[ . 1 . 2]" 1
265 1 12 ASN HB3 1 15 ASN QB . . 3.850 2.682 2.664 2.705 . 0 0 "[ . 1 . 2]" 1
266 1 12 ASN HD21 1 14 LYS HA . . 4.560 4.497 4.447 4.549 . 0 0 "[ . 1 . 2]" 1
267 1 12 ASN HD21 1 14 LYS HB2 . . 4.730 2.199 2.152 2.221 . 0 0 "[ . 1 . 2]" 1
268 1 12 ASN HD21 1 15 ASN HB2 . . 4.340 3.805 3.774 3.841 . 0 0 "[ . 1 . 2]" 1
269 1 12 ASN HD21 1 15 ASN QB . . 3.740 3.402 3.375 3.438 . 0 0 "[ . 1 . 2]" 1
270 1 12 ASN HD21 1 15 ASN HB3 . . 4.340 3.833 3.802 3.878 . 0 0 "[ . 1 . 2]" 1
271 1 12 ASN HD22 1 14 LYS HB2 . . 4.250 3.249 3.220 3.262 . 0 0 "[ . 1 . 2]" 1
272 1 12 ASN HD22 1 14 LYS HB3 . . 4.820 4.827 4.824 4.829 0.009 20 0 "[ . 1 . 2]" 1
273 1 12 ASN HD22 1 14 LYS QE . . 4.100 2.843 1.993 3.500 . 0 0 "[ . 1 . 2]" 1
274 1 12 ASN HD22 1 15 ASN HB2 . . 5.330 5.333 5.327 5.337 0.007 8 0 "[ . 1 . 2]" 1
275 1 12 ASN HD22 1 15 ASN HB3 . . 5.330 5.333 5.327 5.336 0.006 9 0 "[ . 1 . 2]" 1
276 1 13 PRO HA 1 26 SER HA . . 5.500 3.757 3.720 3.819 . 0 0 "[ . 1 . 2]" 1
277 1 13 PRO HB2 1 14 LYS H . . 4.050 3.602 3.567 3.657 . 0 0 "[ . 1 . 2]" 1
278 1 13 PRO HB2 1 26 SER HA . . 4.140 3.588 3.563 3.653 . 0 0 "[ . 1 . 2]" 1
279 1 13 PRO HB3 1 14 LYS H . . 4.490 4.296 4.276 4.328 . 0 0 "[ . 1 . 2]" 1
280 1 13 PRO HB3 1 26 SER HA . . 2.870 2.027 2.003 2.090 . 0 0 "[ . 1 . 2]" 1
281 1 13 PRO HB3 1 26 SER QB . . 4.790 2.552 2.361 3.436 . 0 0 "[ . 1 . 2]" 1
282 1 13 PRO QD 1 14 LYS H . . 3.130 2.660 2.646 2.686 . 0 0 "[ . 1 . 2]" 1
283 1 13 PRO QD 1 14 LYS QE . . 4.080 3.965 3.665 4.080 . 0 0 "[ . 1 . 2]" 1
284 1 13 PRO QD 1 15 ASN H . . 4.400 4.096 4.084 4.106 . 0 0 "[ . 1 . 2]" 1
285 1 13 PRO QD 1 29 LYS QD . . 3.720 3.630 3.382 3.723 0.003 19 0 "[ . 1 . 2]" 1
286 1 13 PRO QD 1 29 LYS HG2 . . 3.880 3.703 3.665 3.724 . 0 0 "[ . 1 . 2]" 1
287 1 13 PRO HG2 1 14 LYS H . . 3.790 2.735 2.683 2.818 . 0 0 "[ . 1 . 2]" 1
288 1 13 PRO HG2 1 14 LYS QE . . 4.250 3.378 3.069 4.049 . 0 0 "[ . 1 . 2]" 1
289 1 13 PRO HG2 1 14 LYS QG . . 4.450 2.322 2.268 2.377 . 0 0 "[ . 1 . 2]" 1
290 1 13 PRO HG3 1 26 SER HA . . 4.440 3.505 3.447 3.563 . 0 0 "[ . 1 . 2]" 1
291 1 13 PRO HG3 1 26 SER QB . . 4.850 3.870 3.592 4.522 . 0 0 "[ . 1 . 2]" 1
292 1 13 PRO HG3 1 29 LYS HG2 . . 4.170 4.172 4.151 4.177 0.007 11 0 "[ . 1 . 2]" 1
293 1 14 LYS H 1 14 LYS HB2 . . 3.110 2.651 2.615 2.664 . 0 0 "[ . 1 . 2]" 1
294 1 14 LYS H 1 14 LYS HB3 . . 3.850 3.678 3.670 3.692 . 0 0 "[ . 1 . 2]" 1
295 1 14 LYS H 1 14 LYS QD . . 4.870 4.126 3.973 4.370 . 0 0 "[ . 1 . 2]" 1
296 1 14 LYS H 1 14 LYS HG2 . . 3.510 3.341 3.211 3.489 . 0 0 "[ . 1 . 2]" 1
297 1 14 LYS H 1 14 LYS QG . . 3.070 2.262 2.200 2.378 . 0 0 "[ . 1 . 2]" 1
298 1 14 LYS H 1 14 LYS HG3 . . 3.510 2.302 2.229 2.426 . 0 0 "[ . 1 . 2]" 1
299 1 14 LYS H 1 15 ASN H . . 2.990 2.172 2.116 2.200 . 0 0 "[ . 1 . 2]" 1
300 1 14 LYS H 1 15 ASN HA . . 5.130 4.898 4.852 4.922 . 0 0 "[ . 1 . 2]" 1
301 1 14 LYS H 1 16 ASP H . . 5.500 5.401 5.308 5.446 . 0 0 "[ . 1 . 2]" 1
302 1 14 LYS HA 1 14 LYS QD . . 4.040 3.979 3.911 4.041 0.001 2 0 "[ . 1 . 2]" 1
303 1 14 LYS HA 1 14 LYS HG2 . . 3.690 2.656 2.604 2.705 . 0 0 "[ . 1 . 2]" 1
304 1 14 LYS HA 1 14 LYS QG . . 3.150 2.554 2.516 2.583 . 0 0 "[ . 1 . 2]" 1
305 1 14 LYS HA 1 14 LYS HG3 . . 3.690 3.324 3.233 3.413 . 0 0 "[ . 1 . 2]" 1
306 1 14 LYS HA 1 15 ASN H . . 3.550 3.420 3.414 3.431 . 0 0 "[ . 1 . 2]" 1
307 1 14 LYS HB2 1 15 ASN H . . 3.670 3.131 3.090 3.152 . 0 0 "[ . 1 . 2]" 1
308 1 14 LYS HB2 1 15 ASN HB2 . . 4.590 3.613 3.596 3.647 . 0 0 "[ . 1 . 2]" 1
309 1 14 LYS HB2 1 15 ASN HB3 . . 4.590 4.522 4.511 4.540 . 0 0 "[ . 1 . 2]" 1
310 1 14 LYS HB3 1 14 LYS QD . . 3.370 2.373 2.203 2.457 . 0 0 "[ . 1 . 2]" 1
311 1 14 LYS HB3 1 14 LYS QE . . 4.390 3.906 3.125 4.139 . 0 0 "[ . 1 . 2]" 1
312 1 14 LYS HB3 1 15 ASN H . . 4.330 4.173 4.126 4.186 . 0 0 "[ . 1 . 2]" 1
313 1 14 LYS QG 1 15 ASN H . . 4.180 3.963 3.939 4.002 . 0 0 "[ . 1 . 2]" 1
314 1 15 ASN H 1 15 ASN HB2 . . 3.470 3.101 3.082 3.110 . 0 0 "[ . 1 . 2]" 1
315 1 15 ASN H 1 15 ASN HB3 . . 3.470 2.932 2.909 2.942 . 0 0 "[ . 1 . 2]" 1
316 1 15 ASN H 1 16 ASP H . . 3.600 3.581 3.562 3.602 0.002 2 0 "[ . 1 . 2]" 1
317 1 15 ASN HA 1 16 ASP H . . 2.870 2.279 2.268 2.295 . 0 0 "[ . 1 . 2]" 1
318 1 15 ASN HA 1 16 ASP HB2 . . 5.130 5.044 5.031 5.076 . 0 0 "[ . 1 . 2]" 1
319 1 15 ASN HA 1 16 ASP QB . . 4.360 4.229 4.222 4.240 . 0 0 "[ . 1 . 2]" 1
320 1 15 ASN HA 1 16 ASP HB3 . . 5.130 4.541 4.533 4.546 . 0 0 "[ . 1 . 2]" 1
321 1 15 ASN QB 1 15 ASN QD . . 3.090 2.143 2.064 2.374 . 0 0 "[ . 1 . 2]" 1
322 1 16 ASP H 1 16 ASP HB2 . . 3.080 2.857 2.845 2.871 . 0 0 "[ . 1 . 2]" 1
323 1 16 ASP H 1 16 ASP QB . . 2.660 2.215 2.209 2.219 . 0 0 "[ . 1 . 2]" 1
324 1 16 ASP H 1 16 ASP HB3 . . 3.080 2.307 2.296 2.314 . 0 0 "[ . 1 . 2]" 1
325 1 16 ASP H 1 17 LYS H . . 4.620 4.380 4.375 4.383 . 0 0 "[ . 1 . 2]" 1
326 1 16 ASP H 1 18 CYS H . . 5.500 5.531 5.522 5.539 0.039 9 0 "[ . 1 . 2]" 1
327 1 16 ASP H 1 24 CYS HB2 . . 4.860 4.878 4.874 4.882 0.022 5 0 "[ . 1 . 2]" 1
328 1 16 ASP HA 1 17 LYS H . . 2.910 2.146 2.145 2.147 . 0 0 "[ . 1 . 2]" 1
329 1 16 ASP HA 1 17 LYS HB2 . . 4.630 4.468 4.385 4.539 . 0 0 "[ . 1 . 2]" 1
330 1 16 ASP HA 1 17 LYS QG . . 4.570 4.257 4.083 4.410 . 0 0 "[ . 1 . 2]" 1
331 1 16 ASP HA 1 18 CYS H . . 3.960 3.564 3.541 3.589 . 0 0 "[ . 1 . 2]" 1
332 1 16 ASP HA 1 24 CYS HB2 . . 4.490 2.853 2.841 2.880 . 0 0 "[ . 1 . 2]" 1
333 1 16 ASP HA 1 24 CYS HB3 . . 4.150 3.742 3.719 3.775 . 0 0 "[ . 1 . 2]" 1
334 1 16 ASP HB2 1 17 LYS H . . 4.600 4.284 4.275 4.289 . 0 0 "[ . 1 . 2]" 1
335 1 16 ASP HB3 1 17 LYS H . . 4.600 4.468 4.463 4.474 . 0 0 "[ . 1 . 2]" 1
336 1 17 LYS H 1 17 LYS HB2 . . 3.520 2.437 2.380 2.484 . 0 0 "[ . 1 . 2]" 1
337 1 17 LYS H 1 17 LYS HB3 . . 3.750 3.646 3.591 3.685 . 0 0 "[ . 1 . 2]" 1
338 1 17 LYS H 1 17 LYS HG2 . . 4.380 3.320 3.011 3.513 . 0 0 "[ . 1 . 2]" 1
339 1 17 LYS H 1 17 LYS QG . . 3.830 3.086 2.936 3.217 . 0 0 "[ . 1 . 2]" 1
340 1 17 LYS H 1 17 LYS HG3 . . 4.380 3.841 3.305 4.259 . 0 0 "[ . 1 . 2]" 1
341 1 17 LYS H 1 18 CYS H . . 3.140 2.628 2.602 2.656 . 0 0 "[ . 1 . 2]" 1
342 1 17 LYS HA 1 17 LYS QD . . 3.450 2.603 2.016 3.398 . 0 0 "[ . 1 . 2]" 1
343 1 17 LYS HA 1 17 LYS HG2 . . 3.940 2.534 2.300 2.830 . 0 0 "[ . 1 . 2]" 1
344 1 17 LYS HA 1 17 LYS QG . . 3.360 2.486 2.270 2.749 . 0 0 "[ . 1 . 2]" 1
345 1 17 LYS HA 1 17 LYS HG3 . . 3.940 3.625 3.486 3.741 . 0 0 "[ . 1 . 2]" 1
346 1 17 LYS HB2 1 18 CYS H . . 4.430 4.099 4.063 4.137 . 0 0 "[ . 1 . 2]" 1
347 1 17 LYS HB3 1 17 LYS QD . . 3.740 2.279 2.086 2.611 . 0 0 "[ . 1 . 2]" 1
348 1 17 LYS HB3 1 18 CYS H . . 4.400 4.374 4.323 4.411 0.011 10 0 "[ . 1 . 2]" 1
349 1 17 LYS QG 1 18 CYS H . . 5.050 4.630 4.518 4.753 . 0 0 "[ . 1 . 2]" 1
350 1 18 CYS H 1 18 CYS QB . . 2.900 2.572 2.568 2.576 . 0 0 "[ . 1 . 2]" 1
351 1 18 CYS HA 1 19 CYS H . . 2.720 2.448 2.415 2.461 . 0 0 "[ . 1 . 2]" 1
352 1 18 CYS HA 1 19 CYS HA . . 5.500 4.423 4.410 4.428 . 0 0 "[ . 1 . 2]" 1
353 1 18 CYS HA 1 19 CYS HB2 . . 4.390 4.010 4.004 4.022 . 0 0 "[ . 1 . 2]" 1
354 1 18 CYS HA 1 22 LEU MD1 . . 3.890 3.667 3.633 3.698 . 0 0 "[ . 1 . 2]" 1
355 1 18 CYS QB 1 19 CYS H . . 3.180 2.351 2.330 2.414 . 0 0 "[ . 1 . 2]" 1
356 1 18 CYS QB 1 19 CYS HA . . 4.440 4.113 4.103 4.141 . 0 0 "[ . 1 . 2]" 1
357 1 18 CYS QB 1 19 CYS HB3 . . 5.450 5.140 5.127 5.168 . 0 0 "[ . 1 . 2]" 1
358 1 18 CYS QB 1 22 LEU H . . 3.850 3.378 3.356 3.393 . 0 0 "[ . 1 . 2]" 1
359 1 18 CYS QB 1 22 LEU HA . . 4.690 4.290 4.234 4.309 . 0 0 "[ . 1 . 2]" 1
360 1 18 CYS QB 1 22 LEU HB2 . . 2.720 1.899 1.893 1.915 . 0 0 "[ . 1 . 2]" 1
361 1 18 CYS QB 1 22 LEU HB3 . . 2.970 2.643 2.461 2.687 . 0 0 "[ . 1 . 2]" 1
362 1 18 CYS QB 1 22 LEU MD1 . . 3.370 2.220 2.165 2.280 . 0 0 "[ . 1 . 2]" 1
363 1 18 CYS QB 1 22 LEU MD2 . . 4.150 3.850 3.662 3.896 . 0 0 "[ . 1 . 2]" 1
364 1 18 CYS QB 1 22 LEU HG . . 4.260 4.075 4.055 4.140 . 0 0 "[ . 1 . 2]" 1
365 1 18 CYS QB 1 23 VAL H . . 4.010 3.918 3.902 3.925 . 0 0 "[ . 1 . 2]" 1
366 1 18 CYS QB 1 23 VAL HA . . 4.110 4.092 4.080 4.105 . 0 0 "[ . 1 . 2]" 1
367 1 18 CYS QB 1 23 VAL MG1 . . 5.480 5.211 5.186 5.225 . 0 0 "[ . 1 . 2]" 1
368 1 18 CYS QB 1 24 CYS H . . 5.060 4.847 4.780 4.875 . 0 0 "[ . 1 . 2]" 1
369 1 18 CYS QB 1 31 CYS HB2 . . 3.740 3.661 3.645 3.672 . 0 0 "[ . 1 . 2]" 1
370 1 18 CYS QB 1 31 CYS HB3 . . 3.260 2.300 2.273 2.322 . 0 0 "[ . 1 . 2]" 1
371 1 19 CYS H 1 19 CYS HB2 . . 3.060 2.558 2.519 2.577 . 0 0 "[ . 1 . 2]" 1
372 1 19 CYS H 1 19 CYS HB3 . . 3.480 3.157 3.145 3.163 . 0 0 "[ . 1 . 2]" 1
373 1 19 CYS H 1 20 ALA H . . 4.560 4.398 4.395 4.402 . 0 0 "[ . 1 . 2]" 1
374 1 19 CYS H 1 22 LEU HB2 . . 3.970 3.005 2.897 3.097 . 0 0 "[ . 1 . 2]" 1
375 1 19 CYS H 1 22 LEU MD1 . . 3.300 2.150 2.067 2.351 . 0 0 "[ . 1 . 2]" 1
376 1 19 CYS H 1 22 LEU MD2 . . 5.290 4.847 4.784 4.902 . 0 0 "[ . 1 . 2]" 1
377 1 19 CYS H 1 22 LEU HG . . 4.710 4.393 4.337 4.582 . 0 0 "[ . 1 . 2]" 1
378 1 19 CYS H 1 31 CYS HB3 . . 4.480 4.167 4.122 4.212 . 0 0 "[ . 1 . 2]" 1
379 1 19 CYS HA 1 20 ALA H . . 2.860 2.653 2.643 2.661 . 0 0 "[ . 1 . 2]" 1
380 1 19 CYS HA 1 20 ALA MB . . 4.610 4.380 4.363 4.391 . 0 0 "[ . 1 . 2]" 1
381 1 19 CYS HA 1 22 LEU MD1 . . 4.390 4.237 4.191 4.297 . 0 0 "[ . 1 . 2]" 1
382 1 19 CYS HB2 1 20 ALA H . . 3.730 3.701 3.690 3.713 . 0 0 "[ . 1 . 2]" 1
383 1 19 CYS HB2 1 20 ALA MB . . 4.760 4.505 4.433 4.540 . 0 0 "[ . 1 . 2]" 1
384 1 19 CYS HB2 1 21 ASN H . . 5.500 5.493 5.485 5.508 0.008 4 0 "[ . 1 . 2]" 1
385 1 19 CYS HB3 1 20 ALA H . . 3.010 2.406 2.384 2.436 . 0 0 "[ . 1 . 2]" 1
386 1 19 CYS HB3 1 20 ALA HA . . 4.910 4.225 4.211 4.247 . 0 0 "[ . 1 . 2]" 1
387 1 19 CYS HB3 1 20 ALA MB . . 3.930 3.116 2.989 3.194 . 0 0 "[ . 1 . 2]" 1
388 1 19 CYS HB3 1 21 ASN H . . 4.680 4.660 4.652 4.683 0.003 4 0 "[ . 1 . 2]" 1
389 1 19 CYS HB3 1 22 LEU MD1 . . 3.930 3.647 3.586 3.668 . 0 0 "[ . 1 . 2]" 1
390 1 20 ALA H 1 20 ALA MB . . 2.930 2.811 2.785 2.840 . 0 0 "[ . 1 . 2]" 1
391 1 20 ALA H 1 21 ASN H . . 3.990 2.751 2.748 2.756 . 0 0 "[ . 1 . 2]" 1
392 1 20 ALA H 1 22 LEU MD1 . . 4.700 4.455 4.362 4.478 . 0 0 "[ . 1 . 2]" 1
393 1 20 ALA HA 1 21 ASN H . . 2.990 2.948 2.939 2.952 . 0 0 "[ . 1 . 2]" 1
394 1 20 ALA HA 1 22 LEU H . . 4.560 4.545 4.535 4.561 0.001 5 0 "[ . 1 . 2]" 1
395 1 20 ALA MB 1 21 ASN H . . 3.750 3.614 3.611 3.618 . 0 0 "[ . 1 . 2]" 1
396 1 20 ALA MB 1 21 ASN HD21 . . 4.840 4.077 3.749 4.511 . 0 0 "[ . 1 . 2]" 1
397 1 20 ALA MB 1 21 ASN QD . . 4.230 3.823 3.563 4.148 . 0 0 "[ . 1 . 2]" 1
398 1 20 ALA MB 1 21 ASN HD22 . . 4.840 4.632 4.452 4.840 0.000 16 0 "[ . 1 . 2]" 1
399 1 20 ALA MB 1 22 LEU H . . 4.340 3.505 3.481 3.541 . 0 0 "[ . 1 . 2]" 1
400 1 21 ASN H 1 21 ASN HB2 . . 3.980 3.770 3.757 3.783 . 0 0 "[ . 1 . 2]" 1
401 1 21 ASN H 1 21 ASN HB3 . . 3.980 3.963 3.951 3.974 . 0 0 "[ . 1 . 2]" 1
402 1 21 ASN H 1 22 LEU H . . 3.200 2.630 2.620 2.647 . 0 0 "[ . 1 . 2]" 1
403 1 21 ASN QB 1 21 ASN QD . . 2.990 2.074 2.062 2.100 . 0 0 "[ . 1 . 2]" 1
404 1 21 ASN QB 1 22 LEU H . . 4.430 3.817 3.812 3.823 . 0 0 "[ . 1 . 2]" 1
405 1 22 LEU H 1 22 LEU HB2 . . 3.330 2.261 2.190 2.277 . 0 0 "[ . 1 . 2]" 1
406 1 22 LEU H 1 22 LEU HB3 . . 3.700 3.536 3.499 3.544 . 0 0 "[ . 1 . 2]" 1
407 1 22 LEU H 1 22 LEU MD1 . . 4.290 3.323 3.300 3.338 . 0 0 "[ . 1 . 2]" 1
408 1 22 LEU H 1 22 LEU MD2 . . 4.340 4.048 4.018 4.187 . 0 0 "[ . 1 . 2]" 1
409 1 22 LEU H 1 22 LEU HG . . 3.460 2.809 2.760 3.036 . 0 0 "[ . 1 . 2]" 1
410 1 22 LEU H 1 23 VAL H . . 4.620 4.553 4.548 4.566 . 0 0 "[ . 1 . 2]" 1
411 1 22 LEU HA 1 22 LEU MD1 . . 4.580 3.837 3.784 3.847 . 0 0 "[ . 1 . 2]" 1
412 1 22 LEU HA 1 22 LEU MD2 . . 3.130 2.562 2.544 2.648 . 0 0 "[ . 1 . 2]" 1
413 1 22 LEU HA 1 22 LEU HG . . 3.660 2.612 2.473 2.641 . 0 0 "[ . 1 . 2]" 1
414 1 22 LEU HA 1 23 VAL H . . 2.850 2.590 2.563 2.599 . 0 0 "[ . 1 . 2]" 1
415 1 22 LEU HA 1 23 VAL HA . . 4.700 4.493 4.483 4.498 . 0 0 "[ . 1 . 2]" 1
416 1 22 LEU HA 1 23 VAL MG1 . . 4.350 3.664 3.617 3.680 . 0 0 "[ . 1 . 2]" 1
417 1 22 LEU HA 1 23 VAL MG2 . . 5.500 5.461 5.459 5.464 . 0 0 "[ . 1 . 2]" 1
418 1 22 LEU HA 1 33 GLY HA2 . . 3.660 3.658 3.640 3.664 0.004 18 0 "[ . 1 . 2]" 1
419 1 22 LEU HA 1 34 LYS H . . 3.940 3.941 3.914 3.951 0.011 3 0 "[ . 1 . 2]" 1
420 1 22 LEU HB2 1 22 LEU MD1 . . 3.310 2.017 1.996 2.079 . 0 0 "[ . 1 . 2]" 1
421 1 22 LEU HB2 1 22 LEU HG . . 3.010 2.633 2.625 2.666 . 0 0 "[ . 1 . 2]" 1
422 1 22 LEU HB2 1 23 VAL H . . 3.760 3.465 3.433 3.585 . 0 0 "[ . 1 . 2]" 1
423 1 22 LEU HB2 1 23 VAL HA . . 5.050 4.824 4.797 4.944 . 0 0 "[ . 1 . 2]" 1
424 1 22 LEU HB2 1 31 CYS HB2 . . 4.860 4.804 4.779 4.838 . 0 0 "[ . 1 . 2]" 1
425 1 22 LEU HB2 1 31 CYS HB3 . . 3.620 3.134 3.111 3.178 . 0 0 "[ . 1 . 2]" 1
426 1 22 LEU HB3 1 22 LEU MD1 . . 3.260 2.658 2.631 2.670 . 0 0 "[ . 1 . 2]" 1
427 1 22 LEU HB3 1 22 LEU MD2 . . 3.270 2.035 1.997 2.044 . 0 0 "[ . 1 . 2]" 1
428 1 22 LEU HB3 1 22 LEU HG . . 3.000 2.982 2.967 2.985 . 0 0 "[ . 1 . 2]" 1
429 1 22 LEU HB3 1 23 VAL H . . 3.070 2.025 2.001 2.105 . 0 0 "[ . 1 . 2]" 1
430 1 22 LEU HB3 1 23 VAL HA . . 4.500 4.198 4.142 4.212 . 0 0 "[ . 1 . 2]" 1
431 1 22 LEU HB3 1 23 VAL MG1 . . 4.870 3.945 3.927 3.998 . 0 0 "[ . 1 . 2]" 1
432 1 22 LEU HB3 1 23 VAL MG2 . . 5.500 5.390 5.375 5.396 . 0 0 "[ . 1 . 2]" 1
433 1 22 LEU HB3 1 31 CYS HB2 . . 4.270 4.203 4.134 4.227 . 0 0 "[ . 1 . 2]" 1
434 1 22 LEU HB3 1 31 CYS HB3 . . 3.250 2.536 2.440 2.566 . 0 0 "[ . 1 . 2]" 1
435 1 22 LEU HB3 1 32 LYS H . . 4.140 4.147 4.143 4.153 0.013 5 0 "[ . 1 . 2]" 1
436 1 22 LEU HB3 1 33 GLY HA2 . . 5.010 4.706 4.656 4.889 . 0 0 "[ . 1 . 2]" 1
437 1 22 LEU MD1 1 23 VAL H . . 4.480 4.306 4.293 4.341 . 0 0 "[ . 1 . 2]" 1
438 1 22 LEU MD1 1 31 CYS H . . 5.380 5.209 5.179 5.269 . 0 0 "[ . 1 . 2]" 1
439 1 22 LEU MD1 1 31 CYS HB2 . . 3.470 3.150 3.089 3.244 . 0 0 "[ . 1 . 2]" 1
440 1 22 LEU MD1 1 31 CYS HB3 . . 3.130 2.433 2.378 2.464 . 0 0 "[ . 1 . 2]" 1
441 1 22 LEU MD1 1 32 LYS H . . 5.350 5.272 5.247 5.332 . 0 0 "[ . 1 . 2]" 1
442 1 22 LEU MD1 1 33 GLY HA2 . . 5.500 5.452 5.439 5.462 . 0 0 "[ . 1 . 2]" 1
443 1 22 LEU MD2 1 23 VAL H . . 3.850 2.674 2.599 2.693 . 0 0 "[ . 1 . 2]" 1
444 1 22 LEU MD2 1 31 CYS HB2 . . 4.080 3.891 3.551 3.968 . 0 0 "[ . 1 . 2]" 1
445 1 22 LEU MD2 1 31 CYS HB3 . . 4.030 3.106 2.719 3.203 . 0 0 "[ . 1 . 2]" 1
446 1 22 LEU MD2 1 32 LYS H . . 4.680 3.847 3.448 3.939 . 0 0 "[ . 1 . 2]" 1
447 1 22 LEU MD2 1 32 LYS HA . . 3.940 3.228 2.978 3.287 . 0 0 "[ . 1 . 2]" 1
448 1 22 LEU MD2 1 33 GLY H . . 3.950 3.872 3.790 3.893 . 0 0 "[ . 1 . 2]" 1
449 1 22 LEU MD2 1 33 GLY HA2 . . 3.020 2.862 2.820 2.882 . 0 0 "[ . 1 . 2]" 1
450 1 22 LEU MD2 1 33 GLY HA3 . . 3.780 3.794 3.784 3.803 0.023 16 0 "[ . 1 . 2]" 1
451 1 22 LEU MD2 1 34 LYS H . . 4.280 4.237 4.204 4.281 0.001 5 0 "[ . 1 . 2]" 1
452 1 22 LEU HG 1 23 VAL H . . 4.610 4.350 4.179 4.383 . 0 0 "[ . 1 . 2]" 1
453 1 22 LEU HG 1 31 CYS HB3 . . 4.670 4.552 4.442 4.585 . 0 0 "[ . 1 . 2]" 1
454 1 23 VAL H 1 23 VAL HB . . 3.620 3.265 3.258 3.282 . 0 0 "[ . 1 . 2]" 1
455 1 23 VAL H 1 23 VAL MG1 . . 3.190 2.293 2.257 2.302 . 0 0 "[ . 1 . 2]" 1
456 1 23 VAL H 1 23 VAL MG2 . . 4.020 3.901 3.884 3.905 . 0 0 "[ . 1 . 2]" 1
457 1 23 VAL H 1 24 CYS HA . . 5.020 4.785 4.773 4.793 . 0 0 "[ . 1 . 2]" 1
458 1 23 VAL H 1 25 SER H . . 5.500 5.430 5.395 5.445 . 0 0 "[ . 1 . 2]" 1
459 1 23 VAL H 1 31 CYS HB2 . . 5.500 5.525 5.514 5.530 0.030 9 0 "[ . 1 . 2]" 1
460 1 23 VAL H 1 31 CYS HB3 . . 4.070 4.028 4.022 4.033 . 0 0 "[ . 1 . 2]" 1
461 1 23 VAL H 1 32 LYS HG3 . . 4.070 4.019 3.984 4.037 . 0 0 "[ . 1 . 2]" 1
462 1 23 VAL H 1 33 GLY HA2 . . 3.970 3.788 3.768 3.801 . 0 0 "[ . 1 . 2]" 1
463 1 23 VAL H 1 33 GLY HA3 . . 5.500 5.424 5.395 5.435 . 0 0 "[ . 1 . 2]" 1
464 1 23 VAL H 1 34 LYS H . . 4.520 4.018 3.979 4.053 . 0 0 "[ . 1 . 2]" 1
465 1 23 VAL HA 1 23 VAL HB . . 2.960 2.425 2.414 2.429 . 0 0 "[ . 1 . 2]" 1
466 1 23 VAL HA 1 23 VAL MG1 . . 3.600 3.201 3.199 3.201 . 0 0 "[ . 1 . 2]" 1
467 1 23 VAL HA 1 23 VAL MG2 . . 3.080 2.297 2.284 2.387 . 0 0 "[ . 1 . 2]" 1
468 1 23 VAL HA 1 24 CYS H . . 2.920 2.222 2.207 2.226 . 0 0 "[ . 1 . 2]" 1
469 1 23 VAL HA 1 24 CYS HB2 . . 4.360 4.248 4.246 4.255 . 0 0 "[ . 1 . 2]" 1
470 1 23 VAL HA 1 24 CYS HB3 . . 5.360 4.892 4.889 4.901 . 0 0 "[ . 1 . 2]" 1
471 1 23 VAL HA 1 32 LYS H . . 5.190 5.119 5.078 5.129 . 0 0 "[ . 1 . 2]" 1
472 1 23 VAL HB 1 24 CYS H . . 4.020 3.995 3.992 4.007 . 0 0 "[ . 1 . 2]" 1
473 1 23 VAL HB 1 34 LYS H . . 4.810 3.658 3.612 3.705 . 0 0 "[ . 1 . 2]" 1
474 1 23 VAL HB 1 34 LYS HA . . 4.460 4.054 3.745 4.178 . 0 0 "[ . 1 . 2]" 1
475 1 23 VAL HB 1 34 LYS QB . . 4.560 2.277 2.082 2.954 . 0 0 "[ . 1 . 2]" 1
476 1 23 VAL HB 1 34 LYS QD . . 4.600 3.600 2.202 4.604 0.004 17 0 "[ . 1 . 2]" 1
477 1 23 VAL HB 1 34 LYS QE . . 4.050 3.183 2.222 3.932 . 0 0 "[ . 1 . 2]" 1
478 1 23 VAL HB 1 34 LYS QG . . 3.760 3.412 2.179 3.759 . 0 0 "[ . 1 . 2]" 1
479 1 23 VAL MG1 1 24 CYS H . . 4.480 3.825 3.808 3.883 . 0 0 "[ . 1 . 2]" 1
480 1 23 VAL MG1 1 25 SER H . . 4.730 3.686 3.673 3.721 . 0 0 "[ . 1 . 2]" 1
481 1 23 VAL MG1 1 25 SER HA . . 4.720 4.360 4.348 4.400 . 0 0 "[ . 1 . 2]" 1
482 1 23 VAL MG1 1 25 SER HB2 . . 5.040 3.987 3.965 4.015 . 0 0 "[ . 1 . 2]" 1
483 1 23 VAL MG1 1 32 LYS H . . 4.190 2.860 2.842 2.884 . 0 0 "[ . 1 . 2]" 1
484 1 23 VAL MG1 1 32 LYS HD2 . . 3.450 2.421 2.323 2.498 . 0 0 "[ . 1 . 2]" 1
485 1 23 VAL MG1 1 32 LYS HD3 . . 4.590 2.507 2.378 2.554 . 0 0 "[ . 1 . 2]" 1
486 1 23 VAL MG1 1 32 LYS HE2 . . 4.820 4.244 4.010 4.498 . 0 0 "[ . 1 . 2]" 1
487 1 23 VAL MG1 1 32 LYS QE . . 3.970 3.849 3.686 3.925 . 0 0 "[ . 1 . 2]" 1
488 1 23 VAL MG1 1 32 LYS HE3 . . 4.820 4.413 4.301 4.477 . 0 0 "[ . 1 . 2]" 1
489 1 23 VAL MG1 1 32 LYS HG2 . . 3.460 3.431 3.413 3.445 . 0 0 "[ . 1 . 2]" 1
490 1 23 VAL MG1 1 32 LYS HG3 . . 3.970 1.978 1.969 1.996 . 0 0 "[ . 1 . 2]" 1
491 1 23 VAL MG1 1 33 GLY H . . 5.090 3.837 3.752 3.861 . 0 0 "[ . 1 . 2]" 1
492 1 23 VAL MG1 1 34 LYS H . . 4.460 2.198 2.122 2.241 . 0 0 "[ . 1 . 2]" 1
493 1 23 VAL MG1 1 34 LYS HA . . 3.330 2.330 2.137 2.432 . 0 0 "[ . 1 . 2]" 1
494 1 23 VAL MG1 1 34 LYS QB . . 4.360 2.330 2.078 2.845 . 0 0 "[ . 1 . 2]" 1
495 1 23 VAL MG1 1 34 LYS QE . . 4.660 3.668 2.076 4.521 . 0 0 "[ . 1 . 2]" 1
496 1 23 VAL MG1 1 34 LYS QG . . 3.960 3.076 2.648 3.800 . 0 0 "[ . 1 . 2]" 1
497 1 23 VAL MG1 1 35 LEU H . . 4.800 4.075 3.731 4.238 . 0 0 "[ . 1 . 2]" 1
498 1 23 VAL MG2 1 24 CYS H . . 3.330 2.076 1.995 2.314 . 0 0 "[ . 1 . 2]" 1
499 1 23 VAL MG2 1 24 CYS HB2 . . 4.490 4.330 4.297 4.397 . 0 0 "[ . 1 . 2]" 1
500 1 23 VAL MG2 1 24 CYS HB3 . . 4.410 4.068 4.038 4.124 . 0 0 "[ . 1 . 2]" 1
501 1 23 VAL MG2 1 25 SER H . . 4.800 3.680 3.513 3.739 . 0 0 "[ . 1 . 2]" 1
502 1 23 VAL MG2 1 25 SER HA . . 4.590 3.407 3.365 3.437 . 0 0 "[ . 1 . 2]" 1
503 1 23 VAL MG2 1 25 SER HB2 . . 4.290 4.192 4.096 4.218 . 0 0 "[ . 1 . 2]" 1
504 1 23 VAL MG2 1 32 LYS H . . 5.170 4.468 4.381 4.500 . 0 0 "[ . 1 . 2]" 1
505 1 23 VAL MG2 1 32 LYS HG3 . . 4.330 3.656 3.576 3.687 . 0 0 "[ . 1 . 2]" 1
506 1 23 VAL MG2 1 34 LYS H . . 4.850 4.629 4.571 4.671 . 0 0 "[ . 1 . 2]" 1
507 1 23 VAL MG2 1 34 LYS HA . . 4.030 3.887 3.531 4.018 . 0 0 "[ . 1 . 2]" 1
508 1 23 VAL MG2 1 34 LYS QB . . 5.340 3.196 2.750 3.905 . 0 0 "[ . 1 . 2]" 1
509 1 23 VAL MG2 1 34 LYS QD . . 4.930 3.276 1.947 4.352 . 0 0 "[ . 1 . 2]" 1
510 1 23 VAL MG2 1 34 LYS QE . . 4.170 3.277 1.918 4.144 . 0 0 "[ . 1 . 2]" 1
511 1 24 CYS H 1 24 CYS HB2 . . 3.390 2.576 2.549 2.585 . 0 0 "[ . 1 . 2]" 1
512 1 24 CYS H 1 24 CYS HB3 . . 3.280 2.733 2.728 2.740 . 0 0 "[ . 1 . 2]" 1
513 1 24 CYS H 1 25 SER H . . 4.660 4.126 4.113 4.138 . 0 0 "[ . 1 . 2]" 1
514 1 24 CYS HA 1 25 SER H . . 2.680 2.205 2.201 2.214 . 0 0 "[ . 1 . 2]" 1
515 1 24 CYS HA 1 25 SER HB2 . . 4.990 4.896 4.863 4.922 . 0 0 "[ . 1 . 2]" 1
516 1 24 CYS HA 1 25 SER HB3 . . 4.650 4.442 4.421 4.477 . 0 0 "[ . 1 . 2]" 1
517 1 24 CYS HA 1 31 CYS HA . . 3.940 2.695 2.687 2.714 . 0 0 "[ . 1 . 2]" 1
518 1 24 CYS HA 1 32 LYS H . . 4.180 3.388 3.379 3.410 . 0 0 "[ . 1 . 2]" 1
519 1 24 CYS HB3 1 25 SER H . . 4.520 4.334 4.332 4.338 . 0 0 "[ . 1 . 2]" 1
520 1 24 CYS HB3 1 25 SER HA . . 5.500 5.066 5.062 5.070 . 0 0 "[ . 1 . 2]" 1
521 1 25 SER H 1 25 SER HB2 . . 2.990 2.723 2.675 2.753 . 0 0 "[ . 1 . 2]" 1
522 1 25 SER H 1 25 SER HB3 . . 2.820 2.363 2.338 2.405 . 0 0 "[ . 1 . 2]" 1
523 1 25 SER H 1 26 SER H . . 4.510 4.497 4.495 4.498 . 0 0 "[ . 1 . 2]" 1
524 1 25 SER H 1 28 HIS HB2 . . 5.500 5.150 5.136 5.161 . 0 0 "[ . 1 . 2]" 1
525 1 25 SER H 1 28 HIS HB3 . . 5.500 5.546 5.544 5.550 0.050 5 0 "[ . 1 . 2]" 1
526 1 25 SER H 1 30 TRP H . . 3.770 2.920 2.914 2.934 . 0 0 "[ . 1 . 2]" 1
527 1 25 SER H 1 30 TRP HD1 . . 3.950 2.748 2.743 2.762 . 0 0 "[ . 1 . 2]" 1
528 1 25 SER H 1 31 CYS HA . . 4.100 3.826 3.819 3.840 . 0 0 "[ . 1 . 2]" 1
529 1 25 SER H 1 32 LYS H . . 3.900 3.097 3.092 3.108 . 0 0 "[ . 1 . 2]" 1
530 1 25 SER H 1 32 LYS HB2 . . 5.500 5.531 5.529 5.534 0.034 1 0 "[ . 1 . 2]" 1
531 1 25 SER H 1 32 LYS HB3 . . 4.570 4.513 4.505 4.531 . 0 0 "[ . 1 . 2]" 1
532 1 25 SER H 1 32 LYS HG3 . . 3.590 3.019 2.974 3.061 . 0 0 "[ . 1 . 2]" 1
533 1 25 SER HA 1 26 SER H . . 2.800 2.139 2.138 2.139 . 0 0 "[ . 1 . 2]" 1
534 1 25 SER HA 1 27 LYS H . . 3.980 3.470 3.467 3.473 . 0 0 "[ . 1 . 2]" 1
535 1 25 SER HA 1 29 LYS H . . 4.840 4.703 4.701 4.704 . 0 0 "[ . 1 . 2]" 1
536 1 25 SER HA 1 32 LYS HD2 . . 4.470 4.354 4.338 4.366 . 0 0 "[ . 1 . 2]" 1
537 1 25 SER HA 1 32 LYS HG3 . . 4.580 4.415 4.400 4.431 . 0 0 "[ . 1 . 2]" 1
538 1 25 SER HB2 1 26 SER H . . 4.410 4.182 4.162 4.208 . 0 0 "[ . 1 . 2]" 1
539 1 25 SER HB2 1 28 HIS H . . 4.240 3.990 3.979 4.005 . 0 0 "[ . 1 . 2]" 1
540 1 25 SER HB2 1 28 HIS QB . . 5.040 3.694 3.675 3.703 . 0 0 "[ . 1 . 2]" 1
541 1 25 SER HB2 1 29 LYS H . . 4.920 4.623 4.616 4.628 . 0 0 "[ . 1 . 2]" 1
542 1 25 SER HB2 1 30 TRP HD1 . . 3.580 3.395 3.357 3.434 . 0 0 "[ . 1 . 2]" 1
543 1 25 SER HB2 1 30 TRP HE1 . . 4.850 3.153 3.131 3.176 . 0 0 "[ . 1 . 2]" 1
544 1 25 SER HB2 1 32 LYS H . . 5.100 4.370 4.333 4.414 . 0 0 "[ . 1 . 2]" 1
545 1 25 SER HB2 1 32 LYS HB2 . . 4.920 4.710 4.691 4.740 . 0 0 "[ . 1 . 2]" 1
546 1 25 SER HB2 1 32 LYS HB3 . . 4.360 4.119 4.098 4.153 . 0 0 "[ . 1 . 2]" 1
547 1 25 SER HB2 1 32 LYS HD2 . . 3.430 3.029 3.008 3.044 . 0 0 "[ . 1 . 2]" 1
548 1 25 SER HB2 1 32 LYS HG2 . . 3.890 2.014 1.998 2.047 . 0 0 "[ . 1 . 2]" 1
549 1 25 SER HB2 1 32 LYS HG3 . . 3.210 3.043 2.992 3.085 . 0 0 "[ . 1 . 2]" 1
550 1 25 SER HB3 1 28 HIS HB2 . . 4.030 2.844 2.798 2.859 . 0 0 "[ . 1 . 2]" 1
551 1 25 SER HB3 1 28 HIS QB . . 3.400 2.744 2.705 2.757 . 0 0 "[ . 1 . 2]" 1
552 1 25 SER HB3 1 28 HIS HB3 . . 4.030 3.612 3.590 3.634 . 0 0 "[ . 1 . 2]" 1
553 1 25 SER HB3 1 29 LYS H . . 3.760 3.133 3.080 3.170 . 0 0 "[ . 1 . 2]" 1
554 1 25 SER HB3 1 30 TRP H . . 3.300 2.760 2.753 2.773 . 0 0 "[ . 1 . 2]" 1
555 1 25 SER HB3 1 30 TRP HD1 . . 3.040 2.005 1.998 2.038 . 0 0 "[ . 1 . 2]" 1
556 1 25 SER HB3 1 30 TRP HE1 . . 4.850 2.729 2.716 2.760 . 0 0 "[ . 1 . 2]" 1
557 1 25 SER HB3 1 32 LYS H . . 4.660 4.359 4.327 4.429 . 0 0 "[ . 1 . 2]" 1
558 1 25 SER HB3 1 32 LYS HB3 . . 4.450 4.141 4.109 4.211 . 0 0 "[ . 1 . 2]" 1
559 1 25 SER HB3 1 32 LYS HD2 . . 4.750 4.591 4.557 4.642 . 0 0 "[ . 1 . 2]" 1
560 1 25 SER HB3 1 32 LYS HG2 . . 4.430 2.730 2.697 2.796 . 0 0 "[ . 1 . 2]" 1
561 1 25 SER HB3 1 32 LYS HG3 . . 3.920 3.788 3.758 3.815 . 0 0 "[ . 1 . 2]" 1
562 1 26 SER H 1 26 SER HB2 . . 3.450 3.184 2.121 3.454 0.004 6 0 "[ . 1 . 2]" 1
563 1 26 SER H 1 26 SER QB . . 3.020 2.479 2.102 2.894 . 0 0 "[ . 1 . 2]" 1
564 1 26 SER H 1 26 SER HB3 . . 3.450 2.759 2.138 3.437 . 0 0 "[ . 1 . 2]" 1
565 1 26 SER H 1 27 LYS H . . 3.540 2.583 2.582 2.583 . 0 0 "[ . 1 . 2]" 1
566 1 26 SER QB 1 27 LYS H . . 3.800 3.506 3.194 3.634 . 0 0 "[ . 1 . 2]" 1
567 1 27 LYS H 1 27 LYS HB2 . . 3.610 2.329 2.205 2.550 . 0 0 "[ . 1 . 2]" 1
568 1 27 LYS H 1 27 LYS QB . . 2.920 2.265 2.181 2.334 . 0 0 "[ . 1 . 2]" 1
569 1 27 LYS H 1 27 LYS HB3 . . 3.610 3.340 2.707 3.584 . 0 0 "[ . 1 . 2]" 1
570 1 27 LYS H 1 27 LYS QE . . 5.500 4.848 3.426 5.497 . 0 0 "[ . 1 . 2]" 1
571 1 27 LYS H 1 27 LYS HG2 . . 4.750 3.854 2.914 4.720 . 0 0 "[ . 1 . 2]" 1
572 1 27 LYS H 1 27 LYS HG3 . . 4.750 4.041 3.182 4.571 . 0 0 "[ . 1 . 2]" 1
573 1 27 LYS H 1 29 LYS H . . 4.360 3.149 3.147 3.150 . 0 0 "[ . 1 . 2]" 1
574 1 27 LYS HA 1 27 LYS HD2 . . 4.330 3.112 2.027 4.097 . 0 0 "[ . 1 . 2]" 1
575 1 27 LYS HA 1 27 LYS QD . . 3.490 2.618 2.015 3.431 . 0 0 "[ . 1 . 2]" 1
576 1 27 LYS HA 1 27 LYS HD3 . . 4.330 3.244 2.137 4.207 . 0 0 "[ . 1 . 2]" 1
577 1 27 LYS HA 1 27 LYS QE . . 5.500 3.795 2.082 4.671 . 0 0 "[ . 1 . 2]" 1
578 1 27 LYS HA 1 27 LYS HG2 . . 3.750 3.073 2.231 3.697 . 0 0 "[ . 1 . 2]" 1
579 1 27 LYS HA 1 27 LYS HG3 . . 3.750 3.008 2.144 3.701 . 0 0 "[ . 1 . 2]" 1
580 1 27 LYS QB 1 27 LYS QD . . 3.270 2.258 2.044 2.608 . 0 0 "[ . 1 . 2]" 1
581 1 27 LYS QB 1 27 LYS QE . . 4.550 2.945 2.002 3.652 . 0 0 "[ . 1 . 2]" 1
582 1 27 LYS QB 1 27 LYS QG . . 2.330 2.017 2.005 2.044 . 0 0 "[ . 1 . 2]" 1
583 1 28 HIS H 1 28 HIS HB2 . . 3.650 2.108 2.106 2.110 . 0 0 "[ . 1 . 2]" 1
584 1 28 HIS H 1 28 HIS QB . . 3.150 2.088 2.087 2.090 . 0 0 "[ . 1 . 2]" 1
585 1 28 HIS H 1 28 HIS HB3 . . 3.650 3.384 3.381 3.390 . 0 0 "[ . 1 . 2]" 1
586 1 28 HIS H 1 29 LYS H . . 3.490 2.488 2.486 2.491 . 0 0 "[ . 1 . 2]" 1
587 1 28 HIS HA 1 29 LYS H . . 3.500 3.410 3.410 3.411 . 0 0 "[ . 1 . 2]" 1
588 1 28 HIS QB 1 29 LYS H . . 3.870 3.121 3.120 3.121 . 0 0 "[ . 1 . 2]" 1
589 1 28 HIS QB 1 29 LYS HG3 . . 5.200 4.837 4.787 4.899 . 0 0 "[ . 1 . 2]" 1
590 1 28 HIS QB 1 30 TRP H . . 4.880 3.577 3.574 3.580 . 0 0 "[ . 1 . 2]" 1
591 1 28 HIS QB 1 30 TRP HD1 . . 3.230 2.852 2.843 2.857 . 0 0 "[ . 1 . 2]" 1
592 1 28 HIS QB 1 30 TRP HE1 . . 3.950 2.345 2.342 2.347 . 0 0 "[ . 1 . 2]" 1
593 1 28 HIS QB 1 30 TRP HZ2 . . 4.160 3.606 3.599 3.618 . 0 0 "[ . 1 . 2]" 1
594 1 28 HIS HB2 1 30 TRP HD1 . . 3.820 3.348 3.330 3.359 . 0 0 "[ . 1 . 2]" 1
595 1 28 HIS HB3 1 30 TRP HD1 . . 3.820 3.090 3.084 3.093 . 0 0 "[ . 1 . 2]" 1
596 1 29 LYS H 1 29 LYS HA . . 2.620 2.275 2.274 2.275 . 0 0 "[ . 1 . 2]" 1
597 1 29 LYS H 1 29 LYS HB2 . . 3.790 3.659 3.647 3.671 . 0 0 "[ . 1 . 2]" 1
598 1 29 LYS H 1 29 LYS HB3 . . 4.150 3.995 3.987 4.001 . 0 0 "[ . 1 . 2]" 1
599 1 29 LYS H 1 29 LYS HD2 . . 5.500 5.262 5.217 5.289 . 0 0 "[ . 1 . 2]" 1
600 1 29 LYS H 1 29 LYS HD3 . . 5.500 5.228 5.178 5.272 . 0 0 "[ . 1 . 2]" 1
601 1 29 LYS H 1 29 LYS QE . . 5.500 4.895 4.729 5.182 . 0 0 "[ . 1 . 2]" 1
602 1 29 LYS H 1 29 LYS HG2 . . 3.960 3.068 3.005 3.116 . 0 0 "[ . 1 . 2]" 1
603 1 29 LYS H 1 29 LYS HG3 . . 3.840 3.023 2.959 3.100 . 0 0 "[ . 1 . 2]" 1
604 1 29 LYS H 1 30 TRP H . . 4.020 2.926 2.923 2.931 . 0 0 "[ . 1 . 2]" 1
605 1 29 LYS H 1 30 TRP HD1 . . 4.570 3.768 3.765 3.771 . 0 0 "[ . 1 . 2]" 1
606 1 29 LYS HA 1 29 LYS HD2 . . 5.500 4.501 4.173 4.837 . 0 0 "[ . 1 . 2]" 1
607 1 29 LYS HA 1 29 LYS HD3 . . 5.500 4.412 4.100 4.861 . 0 0 "[ . 1 . 2]" 1
608 1 29 LYS HA 1 29 LYS HG2 . . 3.140 2.601 2.563 2.635 . 0 0 "[ . 1 . 2]" 1
609 1 29 LYS HA 1 29 LYS HG3 . . 3.460 3.386 3.351 3.429 . 0 0 "[ . 1 . 2]" 1
610 1 29 LYS HA 1 30 TRP H . . 3.460 2.558 2.556 2.559 . 0 0 "[ . 1 . 2]" 1
611 1 29 LYS HA 1 30 TRP HA . . 4.390 4.318 4.317 4.319 . 0 0 "[ . 1 . 2]" 1
612 1 29 LYS HB2 1 29 LYS HD2 . . 3.820 2.778 2.461 3.095 . 0 0 "[ . 1 . 2]" 1
613 1 29 LYS HB2 1 29 LYS QD . . 3.310 2.657 2.404 2.964 . 0 0 "[ . 1 . 2]" 1
614 1 29 LYS HB2 1 29 LYS HD3 . . 3.820 3.454 2.969 3.825 0.005 19 0 "[ . 1 . 2]" 1
615 1 29 LYS HB3 1 29 LYS HD2 . . 4.220 2.645 2.224 3.163 . 0 0 "[ . 1 . 2]" 1
616 1 29 LYS HB3 1 29 LYS QD . . 3.540 2.269 2.144 2.383 . 0 0 "[ . 1 . 2]" 1
617 1 29 LYS HB3 1 29 LYS HD3 . . 4.220 2.868 2.181 3.627 . 0 0 "[ . 1 . 2]" 1
618 1 29 LYS HB3 1 29 LYS QE . . 4.610 3.647 2.921 4.106 . 0 0 "[ . 1 . 2]" 1
619 1 30 TRP H 1 30 TRP HB3 . . 4.030 3.419 3.418 3.421 . 0 0 "[ . 1 . 2]" 1
620 1 30 TRP H 1 31 CYS H . . 4.810 4.378 4.377 4.379 . 0 0 "[ . 1 . 2]" 1
621 1 30 TRP HA 1 30 TRP HB2 . . 2.970 2.442 2.440 2.443 . 0 0 "[ . 1 . 2]" 1
622 1 30 TRP HA 1 30 TRP HB3 . . 2.940 2.465 2.464 2.467 . 0 0 "[ . 1 . 2]" 1
623 1 30 TRP HA 1 30 TRP HE3 . . 5.110 5.089 5.088 5.090 . 0 0 "[ . 1 . 2]" 1
624 1 30 TRP HA 1 31 CYS H . . 2.770 2.467 2.466 2.468 . 0 0 "[ . 1 . 2]" 1
625 1 30 TRP HB2 1 30 TRP HD1 . . 3.850 3.675 3.674 3.679 . 0 0 "[ . 1 . 2]" 1
626 1 30 TRP HB2 1 30 TRP HE3 . . 3.690 2.839 2.835 2.842 . 0 0 "[ . 1 . 2]" 1
627 1 30 TRP HB2 1 31 CYS H . . 3.120 2.326 2.324 2.327 . 0 0 "[ . 1 . 2]" 1
628 1 30 TRP HB3 1 30 TRP HE3 . . 3.280 3.057 3.054 3.062 . 0 0 "[ . 1 . 2]" 1
629 1 30 TRP HB3 1 31 CYS H . . 3.750 3.736 3.735 3.738 . 0 0 "[ . 1 . 2]" 1
630 1 30 TRP HD1 1 31 CYS H . . 5.120 4.302 4.301 4.304 . 0 0 "[ . 1 . 2]" 1
631 1 30 TRP HD1 1 32 LYS H . . 4.590 3.569 3.562 3.580 . 0 0 "[ . 1 . 2]" 1
632 1 30 TRP HD1 1 32 LYS HB3 . . 3.450 3.391 3.384 3.405 . 0 0 "[ . 1 . 2]" 1
633 1 30 TRP HD1 1 32 LYS HD2 . . 5.500 5.506 5.502 5.509 0.009 6 0 "[ . 1 . 2]" 1
634 1 30 TRP HD1 1 32 LYS HG2 . . 3.440 3.162 3.148 3.186 . 0 0 "[ . 1 . 2]" 1
635 1 30 TRP HD1 1 32 LYS HG3 . . 3.940 3.896 3.847 3.943 0.003 1 0 "[ . 1 . 2]" 1
636 1 30 TRP HE1 1 32 LYS HB2 . . 4.060 3.629 3.626 3.638 . 0 0 "[ . 1 . 2]" 1
637 1 30 TRP HE1 1 32 LYS HB3 . . 3.700 2.426 2.421 2.437 . 0 0 "[ . 1 . 2]" 1
638 1 30 TRP HE1 1 32 LYS HG3 . . 4.240 3.888 3.850 3.920 . 0 0 "[ . 1 . 2]" 1
639 1 31 CYS H 1 31 CYS HB2 . . 2.790 2.473 2.467 2.483 . 0 0 "[ . 1 . 2]" 1
640 1 31 CYS H 1 31 CYS HB3 . . 3.790 3.625 3.624 3.627 . 0 0 "[ . 1 . 2]" 1
641 1 31 CYS H 1 32 LYS H . . 4.320 4.065 4.063 4.070 . 0 0 "[ . 1 . 2]" 1
642 1 31 CYS HA 1 32 LYS H . . 2.730 2.260 2.257 2.261 . 0 0 "[ . 1 . 2]" 1
643 1 31 CYS HB2 1 32 LYS H . . 4.720 4.480 4.476 4.483 . 0 0 "[ . 1 . 2]" 1
644 1 31 CYS HB3 1 32 LYS H . . 4.210 4.038 4.034 4.041 . 0 0 "[ . 1 . 2]" 1
645 1 32 LYS H 1 32 LYS HB3 . . 4.130 2.915 2.910 2.924 . 0 0 "[ . 1 . 2]" 1
646 1 32 LYS H 1 32 LYS HD2 . . 4.690 4.368 4.321 4.402 . 0 0 "[ . 1 . 2]" 1
647 1 32 LYS H 1 32 LYS HG2 . . 3.780 3.125 3.100 3.152 . 0 0 "[ . 1 . 2]" 1
648 1 32 LYS H 1 32 LYS HG3 . . 3.780 1.978 1.947 1.999 . 0 0 "[ . 1 . 2]" 1
649 1 32 LYS H 1 33 GLY H . . 4.770 4.468 4.449 4.473 . 0 0 "[ . 1 . 2]" 1
650 1 32 LYS HA 1 32 LYS HD2 . . 5.330 5.262 5.245 5.279 . 0 0 "[ . 1 . 2]" 1
651 1 32 LYS HA 1 32 LYS HD3 . . 4.270 4.087 4.062 4.115 . 0 0 "[ . 1 . 2]" 1
652 1 32 LYS HA 1 32 LYS QE . . 4.490 4.292 4.250 4.403 . 0 0 "[ . 1 . 2]" 1
653 1 32 LYS HA 1 32 LYS HG3 . . 4.130 3.581 3.578 3.583 . 0 0 "[ . 1 . 2]" 1
654 1 32 LYS HA 1 33 GLY H . . 2.960 2.609 2.600 2.640 . 0 0 "[ . 1 . 2]" 1
655 1 32 LYS HA 1 33 GLY HA2 . . 4.470 4.349 4.345 4.354 . 0 0 "[ . 1 . 2]" 1
656 1 32 LYS HA 1 33 GLY HA3 . . 4.780 4.539 4.534 4.551 . 0 0 "[ . 1 . 2]" 1
657 1 32 LYS HB2 1 32 LYS QE . . 3.420 2.028 1.988 2.125 . 0 0 "[ . 1 . 2]" 1
658 1 32 LYS HB2 1 33 GLY H . . 2.870 2.057 2.002 2.072 . 0 0 "[ . 1 . 2]" 1
659 1 32 LYS HB2 1 33 GLY HA3 . . 4.390 4.343 4.307 4.356 . 0 0 "[ . 1 . 2]" 1
660 1 32 LYS HB3 1 32 LYS QE . . 3.660 3.002 2.800 3.168 . 0 0 "[ . 1 . 2]" 1
661 1 32 LYS HB3 1 33 GLY H . . 3.660 3.562 3.527 3.571 . 0 0 "[ . 1 . 2]" 1
662 1 32 LYS HD2 1 34 LYS HA . . 4.720 3.562 3.523 3.595 . 0 0 "[ . 1 . 2]" 1
663 1 32 LYS HD3 1 33 GLY HA2 . . 4.050 3.762 3.681 3.801 . 0 0 "[ . 1 . 2]" 1
664 1 32 LYS QE 1 32 LYS HG2 . . 3.640 2.513 2.258 2.874 . 0 0 "[ . 1 . 2]" 1
665 1 32 LYS QE 1 32 LYS HG3 . . 3.730 3.386 3.300 3.521 . 0 0 "[ . 1 . 2]" 1
666 1 32 LYS QE 1 33 GLY H . . 4.000 3.160 2.933 3.672 . 0 0 "[ . 1 . 2]" 1
667 1 32 LYS HE2 1 32 LYS HG2 . . 4.220 3.431 2.466 3.699 . 0 0 "[ . 1 . 2]" 1
668 1 32 LYS HE3 1 32 LYS HG2 . . 4.220 2.614 2.304 3.005 . 0 0 "[ . 1 . 2]" 1
669 1 32 LYS HG2 1 33 GLY H . . 4.560 4.470 4.403 4.491 . 0 0 "[ . 1 . 2]" 1
670 1 32 LYS HG3 1 33 GLY H . . 4.130 3.928 3.908 3.947 . 0 0 "[ . 1 . 2]" 1
671 1 32 LYS HG3 1 33 GLY HA2 . . 5.500 4.886 4.843 4.919 . 0 0 "[ . 1 . 2]" 1
672 1 33 GLY H 1 33 GLY HA3 . . 2.750 2.356 2.351 2.362 . 0 0 "[ . 1 . 2]" 1
673 1 33 GLY HA2 1 34 LYS H . . 2.660 2.138 2.137 2.139 . 0 0 "[ . 1 . 2]" 1
674 1 33 GLY HA2 1 34 LYS QB . . 4.330 4.052 4.014 4.072 . 0 0 "[ . 1 . 2]" 1
675 1 33 GLY HA3 1 34 LYS H . . 3.330 3.236 3.220 3.261 . 0 0 "[ . 1 . 2]" 1
676 1 33 GLY HA3 1 34 LYS QB . . 5.340 4.962 4.891 4.992 . 0 0 "[ . 1 . 2]" 1
677 1 33 GLY HA3 1 35 LEU H . . 5.480 5.292 5.132 5.469 . 0 0 "[ . 1 . 2]" 1
678 1 34 LYS H 1 34 LYS HB2 . . 3.250 2.374 2.071 2.757 . 0 0 "[ . 1 . 2]" 1
679 1 34 LYS H 1 34 LYS HB3 . . 3.250 2.723 2.357 3.171 . 0 0 "[ . 1 . 2]" 1
680 1 34 LYS H 1 34 LYS QE . . 4.760 4.380 4.182 4.704 . 0 0 "[ . 1 . 2]" 1
681 1 34 LYS H 1 34 LYS QG . . 3.960 3.906 3.533 3.969 0.009 16 0 "[ . 1 . 2]" 1
682 1 34 LYS H 1 35 LEU H . . 4.440 4.373 4.306 4.438 . 0 0 "[ . 1 . 2]" 1
683 1 34 LYS HA 1 34 LYS QD . . 4.120 3.534 2.133 4.113 . 0 0 "[ . 1 . 2]" 1
684 1 34 LYS HA 1 34 LYS QG . . 3.290 2.428 2.085 3.100 . 0 0 "[ . 1 . 2]" 1
685 1 34 LYS HA 1 35 LEU H . . 3.170 2.158 2.143 2.182 . 0 0 "[ . 1 . 2]" 1
686 1 34 LYS QB 1 35 LEU H . . 4.130 3.887 3.817 3.936 . 0 0 "[ . 1 . 2]" 1
687 1 34 LYS HB2 1 35 LEU H . . 4.780 4.499 4.291 4.627 . 0 0 "[ . 1 . 2]" 1
688 1 34 LYS HB3 1 35 LEU H . . 4.780 4.262 4.066 4.444 . 0 0 "[ . 1 . 2]" 1
689 1 34 LYS QE 1 34 LYS QG . . 3.230 2.334 2.192 2.637 . 0 0 "[ . 1 . 2]" 1
690 1 34 LYS QG 1 35 LEU H . . 4.040 3.326 3.050 3.621 . 0 0 "[ . 1 . 2]" 1
691 1 35 LEU H 1 35 LEU QB . . 2.880 2.294 2.061 2.842 . 0 0 "[ . 1 . 2]" 1
692 1 35 LEU H 1 35 LEU MD1 . . 5.500 3.996 3.308 4.349 . 0 0 "[ . 1 . 2]" 1
693 1 35 LEU H 1 35 LEU MD2 . . 5.500 3.392 1.922 4.930 . 0 0 "[ . 1 . 2]" 1
694 1 35 LEU H 1 35 LEU HG . . 4.450 3.908 2.316 4.450 0.000 18 0 "[ . 1 . 2]" 1
695 1 35 LEU HA 1 35 LEU QD . . 3.730 2.520 1.876 3.416 . 0 0 "[ . 1 . 2]" 1
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