NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550726 |
2ll1   |
18019 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ll1
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 610
_Distance_constraint_stats_list.Viol_count 859
_Distance_constraint_stats_list.Viol_total 390.885
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0228
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 CYS 0.250 0.010 11 0 "[ . 1 . 2]"
1 3 GLY 1.446 0.070 13 0 "[ . 1 . 2]"
1 4 HIS 2.909 0.073 5 0 "[ . 1 . 2]"
1 5 LEU 1.042 0.046 6 0 "[ . 1 . 2]"
1 6 HIS 1.104 0.040 5 0 "[ . 1 . 2]"
1 7 ASP 5.625 0.089 19 0 "[ . 1 . 2]"
1 8 PRO 1.857 0.089 19 0 "[ . 1 . 2]"
1 9 CYS 0.108 0.007 10 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.070 0.007 10 0 "[ . 1 . 2]"
1 12 ASP 0.255 0.019 15 0 "[ . 1 . 2]"
1 13 ARG 0.490 0.025 13 0 "[ . 1 . 2]"
1 14 PRO 1.450 0.080 13 0 "[ . 1 . 2]"
1 15 GLY 1.588 0.080 13 0 "[ . 1 . 2]"
1 16 HIS 0.056 0.021 15 0 "[ . 1 . 2]"
1 17 ARG 0.013 0.012 15 0 "[ . 1 . 2]"
1 18 THR 0.497 0.019 15 0 "[ . 1 . 2]"
1 19 CYS 0.481 0.016 10 0 "[ . 1 . 2]"
1 20 CYS 1.944 0.046 6 0 "[ . 1 . 2]"
1 21 ILE 0.074 0.024 20 0 "[ . 1 . 2]"
1 22 GLY 0.060 0.023 18 0 "[ . 1 . 2]"
1 23 LEU 2.834 0.065 18 0 "[ . 1 . 2]"
1 24 GLN 1.995 0.057 19 0 "[ . 1 . 2]"
1 25 CYS 0.165 0.012 13 0 "[ . 1 . 2]"
1 26 ARG 2.470 0.075 15 0 "[ . 1 . 2]"
1 27 TYR 1.183 0.037 1 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 1.001 0.040 5 0 "[ . 1 . 2]"
1 30 CYS 1.763 0.057 19 0 "[ . 1 . 2]"
1 31 LEU 2.780 0.061 17 0 "[ . 1 . 2]"
1 32 VAL 0.757 0.065 18 0 "[ . 1 . 2]"
1 33 ARG 0.240 0.013 15 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 1 ASP HA 1 1 ASP QB . . 2.560 2.443 2.273 2.534 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASP QB 1 2 CYS H . . 4.030 3.190 2.019 3.969 . 0 0 "[ . 1 . 2]" 1
3 1 2 CYS H 1 2 CYS HB2 . . 3.900 3.849 3.735 3.896 . 0 0 "[ . 1 . 2]" 1
4 1 2 CYS H 1 2 CYS HB3 . . 3.470 3.190 3.042 3.391 . 0 0 "[ . 1 . 2]" 1
5 1 2 CYS H 1 3 GLY H . . 5.020 4.446 4.429 4.481 . 0 0 "[ . 1 . 2]" 1
6 1 2 CYS HA 1 3 GLY H . . 2.990 2.431 2.419 2.481 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS HA 1 20 CYS H . . 5.500 5.056 5.006 5.294 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS HB2 1 3 GLY H . . 3.160 2.412 2.268 2.440 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS HB2 1 19 CYS H . . 4.800 4.514 4.392 4.542 . 0 0 "[ . 1 . 2]" 1
10 1 2 CYS HB2 1 20 CYS H . . 3.620 3.111 2.978 3.169 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS HB2 1 20 CYS HB3 . . 4.870 4.187 4.170 4.213 . 0 0 "[ . 1 . 2]" 1
12 1 2 CYS HB2 1 21 ILE H . . 4.780 4.527 4.486 4.605 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS HB3 1 3 GLY H . . 3.810 3.778 3.558 3.820 0.010 6 0 "[ . 1 . 2]" 1
14 1 2 CYS HB3 1 19 CYS H . . 5.500 5.423 4.909 5.510 0.010 11 0 "[ . 1 . 2]" 1
15 1 2 CYS HB3 1 20 CYS H . . 4.890 4.769 4.536 4.839 . 0 0 "[ . 1 . 2]" 1
16 1 2 CYS HB3 1 20 CYS HA . . 4.230 2.714 2.590 2.737 . 0 0 "[ . 1 . 2]" 1
17 1 2 CYS HB3 1 21 ILE H . . 5.190 4.815 4.769 4.879 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLY H 1 4 HIS H . . 4.580 4.401 4.386 4.436 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLY H 1 7 ASP HB3 . . 5.500 5.554 5.539 5.570 0.070 13 0 "[ . 1 . 2]" 1
20 1 3 GLY H 1 18 THR HA . . 4.680 3.682 3.595 3.717 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLY H 1 18 THR HB . . 4.690 4.190 4.073 4.224 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLY H 1 18 THR MG . . 5.250 5.237 5.149 5.254 0.004 9 0 "[ . 1 . 2]" 1
23 1 3 GLY H 1 19 CYS H . . 5.060 3.921 3.854 3.943 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLY H 1 19 CYS HA . . 3.580 2.630 2.596 2.665 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLY H 1 19 CYS HB2 . . 5.400 5.209 5.165 5.234 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLY H 1 19 CYS HB3 . . 5.280 4.993 4.953 5.050 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLY H 1 20 CYS H . . 3.590 3.328 3.284 3.486 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLY H 1 20 CYS HA . . 4.650 4.089 4.064 4.200 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLY H 1 20 CYS HB2 . . 5.260 4.163 4.085 4.500 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLY H 1 23 LEU MD1 . . 5.090 4.463 4.410 4.597 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLY HA2 1 4 HIS H . . 2.810 2.702 2.669 2.717 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLY HA2 1 4 HIS HD2 . . 4.640 3.608 3.602 3.619 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLY HA2 1 7 ASP HB2 . . 4.620 4.514 4.492 4.525 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLY HA2 1 7 ASP HB3 . . 4.740 4.359 4.277 4.397 . 0 0 "[ . 1 . 2]" 1
35 1 3 GLY HA2 1 19 CYS HA . . 5.430 4.765 4.667 4.803 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLY HA2 1 20 CYS H . . 5.290 5.245 5.234 5.273 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLY HA3 1 4 HIS H . . 3.280 2.431 2.418 2.460 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLY HA3 1 4 HIS HD2 . . 5.310 4.702 4.686 4.736 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLY HA3 1 7 ASP HB2 . . 4.000 3.771 3.755 3.803 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLY HA3 1 7 ASP HB3 . . 4.070 3.321 3.296 3.328 . 0 0 "[ . 1 . 2]" 1
41 1 3 GLY HA3 1 18 THR MG . . 5.300 5.311 5.304 5.316 0.016 15 0 "[ . 1 . 2]" 1
42 1 3 GLY HA3 1 19 CYS HA . . 4.600 3.409 3.300 3.452 . 0 0 "[ . 1 . 2]" 1
43 1 3 GLY HA3 1 20 CYS H . . 4.670 4.492 4.472 4.509 . 0 0 "[ . 1 . 2]" 1
44 1 4 HIS H 1 4 HIS HB2 . . 2.980 2.679 2.675 2.689 . 0 0 "[ . 1 . 2]" 1
45 1 4 HIS H 1 4 HIS HB3 . . 3.700 3.652 3.651 3.653 . 0 0 "[ . 1 . 2]" 1
46 1 4 HIS H 1 4 HIS HD2 . . 4.180 3.252 3.247 3.264 . 0 0 "[ . 1 . 2]" 1
47 1 4 HIS H 1 5 LEU H . . 4.510 4.476 4.452 4.484 . 0 0 "[ . 1 . 2]" 1
48 1 4 HIS H 1 7 ASP H . . 4.140 3.901 3.891 3.927 . 0 0 "[ . 1 . 2]" 1
49 1 4 HIS H 1 7 ASP HB2 . . 3.230 1.914 1.906 1.931 . 0 0 "[ . 1 . 2]" 1
50 1 4 HIS H 1 7 ASP HB3 . . 3.790 2.550 2.518 2.566 . 0 0 "[ . 1 . 2]" 1
51 1 4 HIS H 1 8 PRO HD2 . . 5.500 4.715 4.688 4.754 . 0 0 "[ . 1 . 2]" 1
52 1 4 HIS H 1 20 CYS H . . 5.190 5.220 5.203 5.235 0.045 17 0 "[ . 1 . 2]" 1
53 1 4 HIS H 1 23 LEU MD1 . . 4.770 4.632 4.623 4.652 . 0 0 "[ . 1 . 2]" 1
54 1 4 HIS H 1 30 CYS HB3 . . 5.500 5.352 5.310 5.376 . 0 0 "[ . 1 . 2]" 1
55 1 4 HIS HA 1 4 HIS HD2 . . 4.280 2.653 2.646 2.665 . 0 0 "[ . 1 . 2]" 1
56 1 4 HIS HA 1 5 LEU H . . 2.830 2.641 2.630 2.679 . 0 0 "[ . 1 . 2]" 1
57 1 4 HIS HA 1 5 LEU HA . . 5.500 4.318 4.317 4.323 . 0 0 "[ . 1 . 2]" 1
58 1 4 HIS HA 1 20 CYS H . . 4.630 4.611 4.513 4.643 0.013 13 0 "[ . 1 . 2]" 1
59 1 4 HIS HA 1 20 CYS HB3 . . 5.400 5.337 5.320 5.352 . 0 0 "[ . 1 . 2]" 1
60 1 4 HIS HA 1 23 LEU MD1 . . 3.540 3.470 3.447 3.478 . 0 0 "[ . 1 . 2]" 1
61 1 4 HIS HA 1 23 LEU MD2 . . 5.500 5.130 5.080 5.198 . 0 0 "[ . 1 . 2]" 1
62 1 4 HIS HB2 1 5 LEU H . . 3.170 2.918 2.836 2.943 . 0 0 "[ . 1 . 2]" 1
63 1 4 HIS HB2 1 7 ASP H . . 4.880 2.827 2.810 2.862 . 0 0 "[ . 1 . 2]" 1
64 1 4 HIS HB3 1 5 LEU H . . 2.590 2.141 2.101 2.152 . 0 0 "[ . 1 . 2]" 1
65 1 4 HIS HB3 1 5 LEU HB2 . . 5.010 5.011 4.943 5.036 0.026 15 0 "[ . 1 . 2]" 1
66 1 4 HIS HB3 1 5 LEU HB3 . . 4.640 3.995 3.969 4.004 . 0 0 "[ . 1 . 2]" 1
67 1 4 HIS HB3 1 7 ASP H . . 5.160 4.158 4.137 4.205 . 0 0 "[ . 1 . 2]" 1
68 1 4 HIS HB3 1 23 LEU MD1 . . 4.800 4.750 4.710 4.761 . 0 0 "[ . 1 . 2]" 1
69 1 4 HIS HD2 1 5 LEU H . . 5.390 4.886 4.880 4.900 . 0 0 "[ . 1 . 2]" 1
70 1 4 HIS HD2 1 7 ASP HB2 . . 4.990 4.698 4.689 4.721 . 0 0 "[ . 1 . 2]" 1
71 1 4 HIS HD2 1 20 CYS HB2 . . 5.450 5.456 5.440 5.470 0.020 19 0 "[ . 1 . 2]" 1
72 1 4 HIS HD2 1 23 LEU MD1 . . 5.500 5.527 5.518 5.547 0.047 17 0 "[ . 1 . 2]" 1
73 1 4 HIS HE1 1 7 ASP HB2 . . 5.500 5.569 5.564 5.573 0.073 5 0 "[ . 1 . 2]" 1
74 1 5 LEU H 1 5 LEU HB2 . . 3.100 2.913 2.898 2.923 . 0 0 "[ . 1 . 2]" 1
75 1 5 LEU H 1 5 LEU HB3 . . 2.750 2.191 2.184 2.203 . 0 0 "[ . 1 . 2]" 1
76 1 5 LEU H 1 5 LEU MD1 . . 4.330 4.235 4.229 4.237 . 0 0 "[ . 1 . 2]" 1
77 1 5 LEU H 1 5 LEU MD2 . . 4.180 4.153 4.133 4.180 . 0 0 "[ . 1 . 2]" 1
78 1 5 LEU H 1 5 LEU HG . . 4.390 4.161 4.149 4.179 . 0 0 "[ . 1 . 2]" 1
79 1 5 LEU H 1 6 HIS H . . 4.100 2.643 2.624 2.693 . 0 0 "[ . 1 . 2]" 1
80 1 5 LEU H 1 6 HIS HB2 . . 5.120 4.952 4.933 4.990 . 0 0 "[ . 1 . 2]" 1
81 1 5 LEU H 1 7 ASP H . . 4.490 3.780 3.741 3.793 . 0 0 "[ . 1 . 2]" 1
82 1 5 LEU H 1 20 CYS HB2 . . 5.500 5.531 5.384 5.546 0.046 6 0 "[ . 1 . 2]" 1
83 1 5 LEU H 1 23 LEU MD1 . . 3.500 3.314 3.294 3.344 . 0 0 "[ . 1 . 2]" 1
84 1 5 LEU H 1 23 LEU MD2 . . 4.070 4.006 3.934 4.075 0.005 19 0 "[ . 1 . 2]" 1
85 1 5 LEU HA 1 5 LEU MD1 . . 2.720 2.265 2.250 2.273 . 0 0 "[ . 1 . 2]" 1
86 1 5 LEU HA 1 5 LEU MD2 . . 4.180 3.939 3.928 3.948 . 0 0 "[ . 1 . 2]" 1
87 1 5 LEU HA 1 5 LEU HG . . 4.010 3.478 3.464 3.490 . 0 0 "[ . 1 . 2]" 1
88 1 5 LEU HA 1 7 ASP H . . 4.390 3.871 3.848 3.880 . 0 0 "[ . 1 . 2]" 1
89 1 5 LEU HA 1 23 LEU HB3 . . 5.500 3.753 3.659 3.862 . 0 0 "[ . 1 . 2]" 1
90 1 5 LEU HA 1 23 LEU MD1 . . 3.140 1.941 1.932 1.951 . 0 0 "[ . 1 . 2]" 1
91 1 5 LEU HA 1 23 LEU MD2 . . 3.340 1.995 1.950 2.114 . 0 0 "[ . 1 . 2]" 1
92 1 5 LEU HA 1 30 CYS HB2 . . 5.410 5.251 5.212 5.303 . 0 0 "[ . 1 . 2]" 1
93 1 5 LEU HA 1 30 CYS HB3 . . 4.040 3.848 3.766 3.958 . 0 0 "[ . 1 . 2]" 1
94 1 5 LEU HA 1 31 LEU H . . 5.400 5.066 5.015 5.101 . 0 0 "[ . 1 . 2]" 1
95 1 5 LEU HB2 1 5 LEU MD2 . . 3.080 2.352 2.263 2.419 . 0 0 "[ . 1 . 2]" 1
96 1 5 LEU HB2 1 6 HIS H . . 3.950 3.923 3.856 3.948 . 0 0 "[ . 1 . 2]" 1
97 1 5 LEU HB2 1 23 LEU MD2 . . 3.000 2.074 1.976 2.167 . 0 0 "[ . 1 . 2]" 1
98 1 5 LEU HB3 1 5 LEU MD2 . . 2.950 2.291 2.242 2.374 . 0 0 "[ . 1 . 2]" 1
99 1 5 LEU HB3 1 6 HIS H . . 4.140 2.562 2.466 2.599 . 0 0 "[ . 1 . 2]" 1
100 1 5 LEU HB3 1 7 ASP H . . 5.110 4.730 4.656 4.758 . 0 0 "[ . 1 . 2]" 1
101 1 5 LEU HB3 1 23 LEU MD1 . . 4.240 3.944 3.912 3.989 . 0 0 "[ . 1 . 2]" 1
102 1 5 LEU HB3 1 23 LEU MD2 . . 4.120 3.557 3.473 3.630 . 0 0 "[ . 1 . 2]" 1
103 1 5 LEU MD1 1 6 HIS HA . . 4.060 3.776 3.714 3.803 . 0 0 "[ . 1 . 2]" 1
104 1 5 LEU MD1 1 6 HIS HB3 . . 5.500 5.401 5.362 5.440 . 0 0 "[ . 1 . 2]" 1
105 1 5 LEU MD1 1 6 HIS HE1 . . 4.300 3.580 3.532 3.663 . 0 0 "[ . 1 . 2]" 1
106 1 5 LEU MD1 1 7 ASP H . . 4.950 4.645 4.576 4.665 . 0 0 "[ . 1 . 2]" 1
107 1 5 LEU MD1 1 23 LEU MD2 . . 2.700 1.822 1.769 1.854 . 0 0 "[ . 1 . 2]" 1
108 1 5 LEU MD1 1 30 CYS HB2 . . 5.500 5.411 5.372 5.457 . 0 0 "[ . 1 . 2]" 1
109 1 5 LEU MD1 1 31 LEU H . . 4.340 3.689 3.665 3.722 . 0 0 "[ . 1 . 2]" 1
110 1 5 LEU MD1 1 31 LEU HA . . 3.450 2.138 2.052 2.176 . 0 0 "[ . 1 . 2]" 1
111 1 5 LEU MD1 1 31 LEU HB3 . . 3.820 3.763 3.672 3.792 . 0 0 "[ . 1 . 2]" 1
112 1 5 LEU MD1 1 32 VAL H . . 3.390 2.225 2.213 2.239 . 0 0 "[ . 1 . 2]" 1
113 1 5 LEU MD1 1 32 VAL HA . . 4.070 2.509 2.473 2.604 . 0 0 "[ . 1 . 2]" 1
114 1 5 LEU MD1 1 33 ARG H . . 4.620 4.208 4.171 4.306 . 0 0 "[ . 1 . 2]" 1
115 1 5 LEU MD2 1 6 HIS H . . 4.140 3.949 3.835 3.996 . 0 0 "[ . 1 . 2]" 1
116 1 5 LEU MD2 1 6 HIS HD2 . . 3.530 3.411 3.227 3.523 . 0 0 "[ . 1 . 2]" 1
117 1 5 LEU MD2 1 6 HIS HE1 . . 4.020 3.391 3.292 3.522 . 0 0 "[ . 1 . 2]" 1
118 1 5 LEU MD2 1 32 VAL H . . 4.380 3.985 3.905 4.047 . 0 0 "[ . 1 . 2]" 1
119 1 5 LEU HG 1 6 HIS H . . 3.590 2.879 2.761 2.932 . 0 0 "[ . 1 . 2]" 1
120 1 5 LEU HG 1 6 HIS HA . . 4.650 3.407 3.364 3.425 . 0 0 "[ . 1 . 2]" 1
121 1 5 LEU HG 1 6 HIS HB2 . . 4.420 4.032 3.972 4.067 . 0 0 "[ . 1 . 2]" 1
122 1 5 LEU HG 1 6 HIS HD2 . . 3.580 3.584 3.582 3.585 0.005 9 0 "[ . 1 . 2]" 1
123 1 5 LEU HG 1 6 HIS HE1 . . 4.280 3.634 3.603 3.673 . 0 0 "[ . 1 . 2]" 1
124 1 5 LEU HG 1 7 ASP H . . 5.180 4.808 4.741 4.835 . 0 0 "[ . 1 . 2]" 1
125 1 5 LEU HG 1 32 VAL H . . 5.500 4.595 4.569 4.673 . 0 0 "[ . 1 . 2]" 1
126 1 6 HIS H 1 6 HIS HB2 . . 2.550 2.458 2.445 2.466 . 0 0 "[ . 1 . 2]" 1
127 1 6 HIS H 1 6 HIS HB3 . . 3.740 3.657 3.645 3.662 . 0 0 "[ . 1 . 2]" 1
128 1 6 HIS H 1 6 HIS HD2 . . 4.350 3.686 3.655 3.709 . 0 0 "[ . 1 . 2]" 1
129 1 6 HIS H 1 7 ASP H . . 3.060 2.692 2.675 2.730 . 0 0 "[ . 1 . 2]" 1
130 1 6 HIS H 1 7 ASP HA . . 5.380 4.727 4.707 4.759 . 0 0 "[ . 1 . 2]" 1
131 1 6 HIS H 1 7 ASP HB2 . . 5.370 4.131 4.111 4.184 . 0 0 "[ . 1 . 2]" 1
132 1 6 HIS H 1 23 LEU MD1 . . 4.930 4.768 4.749 4.808 . 0 0 "[ . 1 . 2]" 1
133 1 6 HIS H 1 23 LEU MD2 . . 4.990 4.826 4.792 4.859 . 0 0 "[ . 1 . 2]" 1
134 1 6 HIS H 1 30 CYS HB3 . . 4.760 4.554 4.513 4.627 . 0 0 "[ . 1 . 2]" 1
135 1 6 HIS H 1 31 LEU HA . . 5.500 5.424 5.359 5.446 . 0 0 "[ . 1 . 2]" 1
136 1 6 HIS HA 1 6 HIS HB3 . . 2.550 2.497 2.495 2.501 . 0 0 "[ . 1 . 2]" 1
137 1 6 HIS HA 1 6 HIS HE1 . . 4.700 4.716 4.711 4.718 0.018 2 0 "[ . 1 . 2]" 1
138 1 6 HIS HA 1 7 ASP H . . 3.400 3.001 2.999 3.004 . 0 0 "[ . 1 . 2]" 1
139 1 6 HIS HA 1 29 LYS QB . . 4.510 4.466 4.411 4.492 . 0 0 "[ . 1 . 2]" 1
140 1 6 HIS HA 1 29 LYS QG . . 5.160 4.711 4.664 4.828 . 0 0 "[ . 1 . 2]" 1
141 1 6 HIS HA 1 31 LEU H . . 5.500 5.287 5.248 5.369 . 0 0 "[ . 1 . 2]" 1
142 1 6 HIS HB2 1 6 HIS HD2 . . 3.380 2.690 2.689 2.691 . 0 0 "[ . 1 . 2]" 1
143 1 6 HIS HB2 1 7 ASP H . . 4.770 4.003 3.999 4.005 . 0 0 "[ . 1 . 2]" 1
144 1 6 HIS HB3 1 6 HIS HD2 . . 3.910 3.655 3.646 3.664 . 0 0 "[ . 1 . 2]" 1
145 1 6 HIS HB3 1 7 ASP H . . 4.610 4.424 4.421 4.426 . 0 0 "[ . 1 . 2]" 1
146 1 6 HIS HB3 1 29 LYS QB . . 5.340 5.375 5.364 5.380 0.040 5 0 "[ . 1 . 2]" 1
147 1 6 HIS HB3 1 29 LYS QD . . 5.500 5.049 4.791 5.501 0.001 14 0 "[ . 1 . 2]" 1
148 1 6 HIS HE1 1 32 VAL H . . 5.050 4.495 4.385 4.712 . 0 0 "[ . 1 . 2]" 1
149 1 7 ASP H 1 7 ASP HB2 . . 2.870 2.157 2.151 2.163 . 0 0 "[ . 1 . 2]" 1
150 1 7 ASP H 1 7 ASP HB3 . . 3.350 3.245 3.237 3.254 . 0 0 "[ . 1 . 2]" 1
151 1 7 ASP H 1 8 PRO HD2 . . 4.700 4.784 4.779 4.789 0.089 19 0 "[ . 1 . 2]" 1
152 1 7 ASP H 1 8 PRO HD3 . . 5.060 5.068 5.062 5.074 0.014 13 0 "[ . 1 . 2]" 1
153 1 7 ASP H 1 23 LEU MD1 . . 4.510 4.544 4.532 4.552 0.042 19 0 "[ . 1 . 2]" 1
154 1 7 ASP H 1 23 LEU MD2 . . 5.250 5.282 5.272 5.303 0.053 17 0 "[ . 1 . 2]" 1
155 1 7 ASP H 1 30 CYS HB3 . . 3.350 2.647 2.633 2.657 . 0 0 "[ . 1 . 2]" 1
156 1 7 ASP HA 1 8 PRO QG . . 4.750 4.017 4.007 4.028 . 0 0 "[ . 1 . 2]" 1
157 1 7 ASP HB2 1 8 PRO HD2 . . 4.100 3.775 3.753 3.797 . 0 0 "[ . 1 . 2]" 1
158 1 7 ASP HB2 1 30 CYS HB2 . . 4.880 4.648 4.584 4.717 . 0 0 "[ . 1 . 2]" 1
159 1 7 ASP HB3 1 8 PRO HD2 . . 3.390 2.632 2.581 2.677 . 0 0 "[ . 1 . 2]" 1
160 1 7 ASP HB3 1 30 CYS HB2 . . 4.410 4.257 4.204 4.300 . 0 0 "[ . 1 . 2]" 1
161 1 8 PRO HA 1 9 CYS H . . 2.650 2.319 2.287 2.365 . 0 0 "[ . 1 . 2]" 1
162 1 8 PRO HA 1 29 LYS H . . 5.440 5.377 5.218 5.451 0.011 19 0 "[ . 1 . 2]" 1
163 1 8 PRO HA 1 29 LYS HA . . 4.820 2.521 2.337 2.593 . 0 0 "[ . 1 . 2]" 1
164 1 8 PRO HB2 1 9 CYS H . . 3.720 2.831 2.703 2.923 . 0 0 "[ . 1 . 2]" 1
165 1 8 PRO HB2 1 9 CYS HA . . 5.500 4.093 4.043 4.130 . 0 0 "[ . 1 . 2]" 1
166 1 8 PRO HB2 1 10 PRO HD2 . . 3.860 3.401 3.370 3.411 . 0 0 "[ . 1 . 2]" 1
167 1 8 PRO HB2 1 10 PRO HD3 . . 3.630 2.069 2.063 2.074 . 0 0 "[ . 1 . 2]" 1
168 1 8 PRO HB2 1 29 LYS HA . . 5.500 4.898 4.687 4.971 . 0 0 "[ . 1 . 2]" 1
169 1 8 PRO HB3 1 9 CYS H . . 3.890 3.569 3.500 3.620 . 0 0 "[ . 1 . 2]" 1
170 1 8 PRO QG 1 9 CYS H . . 4.990 4.307 4.227 4.363 . 0 0 "[ . 1 . 2]" 1
171 1 8 PRO QG 1 10 PRO HD2 . . 5.350 3.997 3.977 4.015 . 0 0 "[ . 1 . 2]" 1
172 1 8 PRO QG 1 10 PRO HD3 . . 4.860 3.523 3.506 3.549 . 0 0 "[ . 1 . 2]" 1
173 1 9 CYS H 1 10 PRO HA . . 4.760 4.269 4.219 4.302 . 0 0 "[ . 1 . 2]" 1
174 1 9 CYS H 1 10 PRO HB3 . . 5.500 4.789 4.704 4.837 . 0 0 "[ . 1 . 2]" 1
175 1 9 CYS H 1 10 PRO HD3 . . 3.620 2.701 2.603 2.750 . 0 0 "[ . 1 . 2]" 1
176 1 9 CYS H 1 10 PRO HG3 . . 5.340 4.964 4.866 5.014 . 0 0 "[ . 1 . 2]" 1
177 1 9 CYS H 1 29 LYS HA . . 3.330 3.080 2.967 3.188 . 0 0 "[ . 1 . 2]" 1
178 1 9 CYS H 1 29 LYS HG2 . . 5.500 4.995 4.786 5.138 . 0 0 "[ . 1 . 2]" 1
179 1 9 CYS H 1 29 LYS QG . . 4.830 4.147 4.015 4.244 . 0 0 "[ . 1 . 2]" 1
180 1 9 CYS H 1 29 LYS HG3 . . 5.500 4.434 4.237 4.542 . 0 0 "[ . 1 . 2]" 1
181 1 9 CYS H 1 30 CYS H . . 4.810 4.593 4.429 4.811 0.001 13 0 "[ . 1 . 2]" 1
182 1 9 CYS HA 1 10 PRO HD2 . . 3.010 2.163 2.161 2.171 . 0 0 "[ . 1 . 2]" 1
183 1 9 CYS HA 1 10 PRO HD3 . . 3.610 3.029 3.026 3.039 . 0 0 "[ . 1 . 2]" 1
184 1 9 CYS HA 1 10 PRO HG2 . . 5.290 4.268 4.266 4.273 . 0 0 "[ . 1 . 2]" 1
185 1 9 CYS HA 1 10 PRO HG3 . . 5.080 4.758 4.755 4.766 . 0 0 "[ . 1 . 2]" 1
186 1 9 CYS HA 1 11 ASN H . . 4.000 3.423 3.409 3.430 . 0 0 "[ . 1 . 2]" 1
187 1 9 CYS HA 1 12 ASP H . . 4.960 4.465 4.453 4.487 . 0 0 "[ . 1 . 2]" 1
188 1 9 CYS HA 1 12 ASP QB . . 4.420 4.113 4.079 4.139 . 0 0 "[ . 1 . 2]" 1
189 1 9 CYS HA 1 18 THR MG . . 4.370 2.899 2.867 2.961 . 0 0 "[ . 1 . 2]" 1
190 1 9 CYS HB2 1 10 PRO HD2 . . 4.630 4.459 4.456 4.468 . 0 0 "[ . 1 . 2]" 1
191 1 9 CYS HB2 1 18 THR H . . 4.510 3.328 3.298 3.356 . 0 0 "[ . 1 . 2]" 1
192 1 9 CYS HB2 1 18 THR MG . . 4.340 3.209 3.183 3.222 . 0 0 "[ . 1 . 2]" 1
193 1 9 CYS HB2 1 19 CYS H . . 5.500 5.257 5.222 5.303 . 0 0 "[ . 1 . 2]" 1
194 1 9 CYS HB3 1 10 PRO HD2 . . 4.650 4.532 4.529 4.538 . 0 0 "[ . 1 . 2]" 1
195 1 9 CYS HB3 1 11 ASN H . . 5.450 5.451 5.432 5.457 0.007 10 0 "[ . 1 . 2]" 1
196 1 9 CYS HB3 1 12 ASP HA . . 5.500 5.257 5.237 5.285 . 0 0 "[ . 1 . 2]" 1
197 1 9 CYS HB3 1 18 THR H . . 4.240 3.849 3.799 3.880 . 0 0 "[ . 1 . 2]" 1
198 1 9 CYS HB3 1 19 CYS H . . 5.310 4.967 4.934 5.004 . 0 0 "[ . 1 . 2]" 1
199 1 9 CYS HB3 1 29 LYS HA . . 4.810 4.783 4.640 4.816 0.006 16 0 "[ . 1 . 2]" 1
200 1 9 CYS HB3 1 30 CYS HB2 . . 3.310 3.210 3.110 3.273 . 0 0 "[ . 1 . 2]" 1
201 1 10 PRO HA 1 12 ASP H . . 4.810 3.689 3.679 3.694 . 0 0 "[ . 1 . 2]" 1
202 1 10 PRO HA 1 28 GLY HA2 . . 5.500 4.916 4.751 5.034 . 0 0 "[ . 1 . 2]" 1
203 1 10 PRO HB2 1 11 ASN HD21 . . 5.410 3.846 2.683 4.776 . 0 0 "[ . 1 . 2]" 1
204 1 10 PRO HB3 1 11 ASN H . . 4.490 4.127 4.123 4.135 . 0 0 "[ . 1 . 2]" 1
205 1 10 PRO HD2 1 11 ASN H . . 3.580 2.647 2.646 2.647 . 0 0 "[ . 1 . 2]" 1
206 1 10 PRO HD2 1 11 ASN HD21 . . 5.500 4.042 3.468 4.609 . 0 0 "[ . 1 . 2]" 1
207 1 10 PRO HD2 1 12 ASP H . . 5.090 4.884 4.873 4.903 . 0 0 "[ . 1 . 2]" 1
208 1 10 PRO HD3 1 11 ASN H . . 4.160 3.837 3.836 3.837 . 0 0 "[ . 1 . 2]" 1
209 1 10 PRO HG2 1 11 ASN H . . 3.430 2.340 2.332 2.357 . 0 0 "[ . 1 . 2]" 1
210 1 10 PRO HG2 1 11 ASN HD21 . . 4.390 2.463 1.962 3.269 . 0 0 "[ . 1 . 2]" 1
211 1 10 PRO HG3 1 11 ASN H . . 4.230 3.859 3.853 3.872 . 0 0 "[ . 1 . 2]" 1
212 1 10 PRO HG3 1 11 ASN HD21 . . 4.910 4.066 3.599 4.831 . 0 0 "[ . 1 . 2]" 1
213 1 11 ASN H 1 11 ASN HB2 . . 3.100 2.321 2.293 2.407 . 0 0 "[ . 1 . 2]" 1
214 1 11 ASN H 1 11 ASN HB3 . . 3.700 3.582 3.560 3.630 . 0 0 "[ . 1 . 2]" 1
215 1 11 ASN H 1 11 ASN HD21 . . 4.110 2.865 2.346 3.464 . 0 0 "[ . 1 . 2]" 1
216 1 11 ASN H 1 12 ASP H . . 2.890 2.883 2.881 2.887 . 0 0 "[ . 1 . 2]" 1
217 1 11 ASN H 1 12 ASP HA . . 4.980 4.681 4.677 4.687 . 0 0 "[ . 1 . 2]" 1
218 1 11 ASN H 1 12 ASP QB . . 4.380 4.367 4.343 4.373 . 0 0 "[ . 1 . 2]" 1
219 1 11 ASN H 1 18 THR MG . . 4.060 2.910 2.871 3.057 . 0 0 "[ . 1 . 2]" 1
220 1 11 ASN HB2 1 11 ASN HD21 . . 3.190 2.207 2.117 2.531 . 0 0 "[ . 1 . 2]" 1
221 1 11 ASN HB2 1 12 ASP H . . 4.320 4.153 4.128 4.164 . 0 0 "[ . 1 . 2]" 1
222 1 11 ASN HB2 1 18 THR MG . . 3.640 2.556 2.437 2.650 . 0 0 "[ . 1 . 2]" 1
223 1 11 ASN HB3 1 18 THR MG . . 3.660 3.480 3.401 3.628 . 0 0 "[ . 1 . 2]" 1
224 1 11 ASN HD21 1 18 THR MG . . 4.560 3.786 3.494 4.221 . 0 0 "[ . 1 . 2]" 1
225 1 12 ASP H 1 12 ASP HB2 . . 2.950 2.779 2.603 2.838 . 0 0 "[ . 1 . 2]" 1
226 1 12 ASP H 1 12 ASP HB3 . . 2.950 2.327 2.280 2.480 . 0 0 "[ . 1 . 2]" 1
227 1 12 ASP H 1 13 ARG H . . 4.660 4.467 4.465 4.468 . 0 0 "[ . 1 . 2]" 1
228 1 12 ASP H 1 18 THR MG . . 3.980 3.650 3.598 3.760 . 0 0 "[ . 1 . 2]" 1
229 1 12 ASP HA 1 13 ARG H . . 2.640 2.139 2.139 2.140 . 0 0 "[ . 1 . 2]" 1
230 1 12 ASP HA 1 17 ARG H . . 5.500 5.479 5.444 5.512 0.012 15 0 "[ . 1 . 2]" 1
231 1 12 ASP HA 1 18 THR H . . 4.030 3.206 3.174 3.309 . 0 0 "[ . 1 . 2]" 1
232 1 12 ASP HA 1 18 THR MG . . 3.310 3.049 2.993 3.064 . 0 0 "[ . 1 . 2]" 1
233 1 12 ASP QB 1 18 THR H . . 3.800 3.692 3.628 3.806 0.006 19 0 "[ . 1 . 2]" 1
234 1 12 ASP QB 1 18 THR MG . . 3.620 3.631 3.623 3.639 0.019 15 0 "[ . 1 . 2]" 1
235 1 12 ASP HB2 1 13 ARG H . . 4.480 4.211 4.177 4.320 . 0 0 "[ . 1 . 2]" 1
236 1 12 ASP HB3 1 13 ARG H . . 4.480 4.407 4.319 4.433 . 0 0 "[ . 1 . 2]" 1
237 1 13 ARG H 1 13 ARG HB2 . . 3.840 3.728 3.706 3.734 . 0 0 "[ . 1 . 2]" 1
238 1 13 ARG H 1 13 ARG HB3 . . 3.760 3.478 3.427 3.508 . 0 0 "[ . 1 . 2]" 1
239 1 13 ARG H 1 13 ARG QD . . 5.020 4.168 4.075 4.260 . 0 0 "[ . 1 . 2]" 1
240 1 13 ARG H 1 13 ARG QG . . 3.890 2.181 2.112 2.203 . 0 0 "[ . 1 . 2]" 1
241 1 13 ARG H 1 14 PRO HD2 . . 5.110 4.791 4.788 4.792 . 0 0 "[ . 1 . 2]" 1
242 1 13 ARG H 1 14 PRO HD3 . . 5.050 4.983 4.977 5.006 . 0 0 "[ . 1 . 2]" 1
243 1 13 ARG H 1 16 HIS H . . 4.060 3.949 3.939 3.959 . 0 0 "[ . 1 . 2]" 1
244 1 13 ARG H 1 16 HIS HA . . 5.500 5.417 5.392 5.430 . 0 0 "[ . 1 . 2]" 1
245 1 13 ARG H 1 16 HIS QB . . 4.850 4.250 4.155 4.334 . 0 0 "[ . 1 . 2]" 1
246 1 13 ARG H 1 17 ARG HA . . 5.160 2.637 2.578 2.745 . 0 0 "[ . 1 . 2]" 1
247 1 13 ARG H 1 17 ARG QB . . 4.960 4.270 4.188 4.443 . 0 0 "[ . 1 . 2]" 1
248 1 13 ARG H 1 17 ARG QG . . 4.070 3.102 2.890 3.325 . 0 0 "[ . 1 . 2]" 1
249 1 13 ARG H 1 18 THR H . . 4.990 4.508 4.482 4.617 . 0 0 "[ . 1 . 2]" 1
250 1 13 ARG H 1 18 THR MG . . 4.570 4.416 4.342 4.441 . 0 0 "[ . 1 . 2]" 1
251 1 13 ARG HA 1 14 PRO HD3 . . 3.500 2.339 2.337 2.341 . 0 0 "[ . 1 . 2]" 1
252 1 13 ARG HB2 1 13 ARG HD2 . . 3.830 2.880 2.438 3.474 . 0 0 "[ . 1 . 2]" 1
253 1 13 ARG HB2 1 13 ARG HD3 . . 3.830 3.213 2.365 3.771 . 0 0 "[ . 1 . 2]" 1
254 1 13 ARG HB2 1 14 PRO HD2 . . 3.370 1.947 1.930 1.955 . 0 0 "[ . 1 . 2]" 1
255 1 13 ARG HB2 1 15 GLY H . . 5.250 5.264 5.241 5.275 0.025 13 0 "[ . 1 . 2]" 1
256 1 13 ARG HB2 1 16 HIS H . . 5.090 4.172 4.144 4.187 . 0 0 "[ . 1 . 2]" 1
257 1 13 ARG HB3 1 13 ARG QD . . 3.380 2.323 2.246 2.561 . 0 0 "[ . 1 . 2]" 1
258 1 13 ARG HB3 1 14 PRO HD2 . . 3.060 2.884 2.858 2.897 . 0 0 "[ . 1 . 2]" 1
259 1 13 ARG HB3 1 14 PRO HD3 . . 3.900 3.907 3.884 3.918 0.018 10 0 "[ . 1 . 2]" 1
260 1 13 ARG HE 1 16 HIS QB . . 4.430 2.931 2.246 4.398 . 0 0 "[ . 1 . 2]" 1
261 1 13 ARG QG 1 14 PRO HD2 . . 4.440 3.933 3.916 3.944 . 0 0 "[ . 1 . 2]" 1
262 1 13 ARG QG 1 14 PRO HD3 . . 5.120 4.845 4.835 4.853 . 0 0 "[ . 1 . 2]" 1
263 1 13 ARG QG 1 15 GLY H . . 4.890 4.776 4.721 4.846 . 0 0 "[ . 1 . 2]" 1
264 1 13 ARG QG 1 16 HIS H . . 4.000 2.948 2.908 3.002 . 0 0 "[ . 1 . 2]" 1
265 1 13 ARG QG 1 16 HIS HB2 . . 4.070 2.980 2.272 3.468 . 0 0 "[ . 1 . 2]" 1
266 1 13 ARG QG 1 16 HIS QB . . 3.550 2.163 2.078 2.260 . 0 0 "[ . 1 . 2]" 1
267 1 13 ARG QG 1 16 HIS HB3 . . 4.070 2.475 2.095 3.101 . 0 0 "[ . 1 . 2]" 1
268 1 13 ARG QG 1 16 HIS HD2 . . 4.600 4.218 3.877 4.621 0.021 15 0 "[ . 1 . 2]" 1
269 1 14 PRO HA 1 15 GLY H . . 2.520 2.206 2.201 2.214 . 0 0 "[ . 1 . 2]" 1
270 1 14 PRO HA 1 16 HIS H . . 3.920 3.709 3.704 3.718 . 0 0 "[ . 1 . 2]" 1
271 1 14 PRO HA 1 17 ARG QG . . 5.230 4.052 3.981 4.203 . 0 0 "[ . 1 . 2]" 1
272 1 14 PRO QB 1 15 GLY H . . 3.910 3.665 3.651 3.682 . 0 0 "[ . 1 . 2]" 1
273 1 14 PRO QB 1 16 HIS H . . 5.340 4.892 4.884 4.905 . 0 0 "[ . 1 . 2]" 1
274 1 14 PRO HB2 1 15 GLY H . . 4.580 3.965 3.949 3.986 . 0 0 "[ . 1 . 2]" 1
275 1 14 PRO HB3 1 15 GLY H . . 4.580 4.312 4.300 4.328 . 0 0 "[ . 1 . 2]" 1
276 1 14 PRO HD2 1 15 GLY H . . 5.290 5.355 5.337 5.370 0.080 13 0 "[ . 1 . 2]" 1
277 1 15 GLY H 1 16 HIS H . . 3.190 2.291 2.258 2.317 . 0 0 "[ . 1 . 2]" 1
278 1 15 GLY H 1 17 ARG HG2 . . 4.880 4.085 3.833 4.460 . 0 0 "[ . 1 . 2]" 1
279 1 15 GLY H 1 17 ARG QG . . 4.230 3.410 3.359 3.502 . 0 0 "[ . 1 . 2]" 1
280 1 15 GLY H 1 17 ARG HG3 . . 4.880 3.669 3.530 3.940 . 0 0 "[ . 1 . 2]" 1
281 1 15 GLY HA2 1 17 ARG H . . 5.310 5.261 5.247 5.303 . 0 0 "[ . 1 . 2]" 1
282 1 16 HIS H 1 16 HIS HB2 . . 4.000 3.050 2.863 3.221 . 0 0 "[ . 1 . 2]" 1
283 1 16 HIS H 1 16 HIS QB . . 3.220 2.816 2.786 2.835 . 0 0 "[ . 1 . 2]" 1
284 1 16 HIS H 1 16 HIS HB3 . . 4.000 3.436 3.142 3.844 . 0 0 "[ . 1 . 2]" 1
285 1 16 HIS H 1 17 ARG H . . 3.450 3.353 3.347 3.417 . 0 0 "[ . 1 . 2]" 1
286 1 16 HIS H 1 17 ARG QB . . 5.130 4.922 4.834 4.971 . 0 0 "[ . 1 . 2]" 1
287 1 16 HIS HA 1 16 HIS HD2 . . 4.870 4.399 4.075 4.688 . 0 0 "[ . 1 . 2]" 1
288 1 16 HIS HA 1 16 HIS HE1 . . 5.500 4.609 4.376 4.828 . 0 0 "[ . 1 . 2]" 1
289 1 16 HIS HA 1 17 ARG H . . 2.820 2.295 2.269 2.297 . 0 0 "[ . 1 . 2]" 1
290 1 16 HIS QB 1 16 HIS HD2 . . 3.300 2.646 2.624 2.708 . 0 0 "[ . 1 . 2]" 1
291 1 16 HIS HB2 1 16 HIS HD2 . . 3.870 3.340 2.689 3.863 . 0 0 "[ . 1 . 2]" 1
292 1 16 HIS HB2 1 17 ARG H . . 4.730 4.632 4.580 4.670 . 0 0 "[ . 1 . 2]" 1
293 1 16 HIS HB3 1 16 HIS HD2 . . 3.870 3.059 2.691 3.840 . 0 0 "[ . 1 . 2]" 1
294 1 16 HIS HB3 1 17 ARG H . . 4.730 4.260 4.102 4.387 . 0 0 "[ . 1 . 2]" 1
295 1 17 ARG H 1 17 ARG QB . . 2.890 2.523 2.403 2.593 . 0 0 "[ . 1 . 2]" 1
296 1 17 ARG H 1 17 ARG QD . . 4.790 4.304 3.941 4.529 . 0 0 "[ . 1 . 2]" 1
297 1 17 ARG H 1 17 ARG HG2 . . 3.600 3.329 3.033 3.592 . 0 0 "[ . 1 . 2]" 1
298 1 17 ARG H 1 17 ARG HG3 . . 3.600 2.525 2.270 2.776 . 0 0 "[ . 1 . 2]" 1
299 1 17 ARG H 1 18 THR H . . 4.590 4.563 4.557 4.570 . 0 0 "[ . 1 . 2]" 1
300 1 17 ARG H 1 18 THR HA . . 5.350 5.250 5.227 5.274 . 0 0 "[ . 1 . 2]" 1
301 1 17 ARG H 1 18 THR MG . . 5.420 5.280 5.267 5.295 . 0 0 "[ . 1 . 2]" 1
302 1 17 ARG QB 1 17 ARG HD2 . . 3.480 2.320 2.001 2.967 . 0 0 "[ . 1 . 2]" 1
303 1 17 ARG QB 1 17 ARG QD . . 2.930 2.068 1.978 2.174 . 0 0 "[ . 1 . 2]" 1
304 1 17 ARG QB 1 17 ARG HD3 . . 3.480 2.828 2.046 3.279 . 0 0 "[ . 1 . 2]" 1
305 1 17 ARG QB 1 17 ARG HE . . 3.680 3.208 2.503 3.676 . 0 0 "[ . 1 . 2]" 1
306 1 17 ARG QB 1 18 THR H . . 3.530 2.434 2.398 2.466 . 0 0 "[ . 1 . 2]" 1
307 1 17 ARG QB 1 19 CYS H . . 3.780 2.463 2.442 2.486 . 0 0 "[ . 1 . 2]" 1
308 1 17 ARG QD 1 18 THR H . . 4.560 4.356 4.181 4.558 . 0 0 "[ . 1 . 2]" 1
309 1 17 ARG QD 1 19 CYS H . . 5.070 4.342 4.205 4.632 . 0 0 "[ . 1 . 2]" 1
310 1 17 ARG QG 1 18 THR H . . 4.360 4.052 3.858 4.145 . 0 0 "[ . 1 . 2]" 1
311 1 18 THR H 1 18 THR MG . . 3.920 2.351 2.326 2.397 . 0 0 "[ . 1 . 2]" 1
312 1 18 THR H 1 19 CYS H . . 2.800 2.718 2.704 2.753 . 0 0 "[ . 1 . 2]" 1
313 1 18 THR H 1 19 CYS HB2 . . 4.830 4.460 4.439 4.488 . 0 0 "[ . 1 . 2]" 1
314 1 18 THR HA 1 18 THR MG . . 2.810 2.415 2.398 2.426 . 0 0 "[ . 1 . 2]" 1
315 1 18 THR HB 1 19 CYS H . . 4.730 4.512 4.510 4.520 . 0 0 "[ . 1 . 2]" 1
316 1 19 CYS H 1 19 CYS HB2 . . 3.230 2.498 2.483 2.504 . 0 0 "[ . 1 . 2]" 1
317 1 19 CYS H 1 19 CYS HB3 . . 3.700 3.694 3.686 3.698 . 0 0 "[ . 1 . 2]" 1
318 1 19 CYS H 1 20 CYS H . . 4.660 4.497 4.493 4.509 . 0 0 "[ . 1 . 2]" 1
319 1 19 CYS H 1 25 CYS HB2 . . 5.000 4.917 4.889 4.949 . 0 0 "[ . 1 . 2]" 1
320 1 19 CYS HA 1 20 CYS H . . 3.300 2.248 2.235 2.285 . 0 0 "[ . 1 . 2]" 1
321 1 19 CYS HB2 1 20 CYS H . . 4.090 4.003 3.941 4.034 . 0 0 "[ . 1 . 2]" 1
322 1 19 CYS HB2 1 23 LEU H . . 5.470 5.176 5.148 5.202 . 0 0 "[ . 1 . 2]" 1
323 1 19 CYS HB2 1 23 LEU HB2 . . 3.460 3.346 3.297 3.414 . 0 0 "[ . 1 . 2]" 1
324 1 19 CYS HB2 1 23 LEU HB3 . . 3.860 3.775 3.686 3.814 . 0 0 "[ . 1 . 2]" 1
325 1 19 CYS HB2 1 23 LEU MD1 . . 4.270 4.028 3.996 4.075 . 0 0 "[ . 1 . 2]" 1
326 1 19 CYS HB2 1 23 LEU MD2 . . 5.500 5.500 5.455 5.516 0.016 10 0 "[ . 1 . 2]" 1
327 1 19 CYS HB2 1 24 GLN H . . 5.310 4.657 4.638 4.668 . 0 0 "[ . 1 . 2]" 1
328 1 19 CYS HB2 1 24 GLN HA . . 4.220 4.041 4.014 4.082 . 0 0 "[ . 1 . 2]" 1
329 1 19 CYS HB2 1 25 CYS H . . 4.620 4.628 4.623 4.632 0.012 13 0 "[ . 1 . 2]" 1
330 1 19 CYS HB3 1 20 CYS H . . 3.390 2.853 2.738 2.897 . 0 0 "[ . 1 . 2]" 1
331 1 19 CYS HB3 1 23 LEU H . . 4.730 4.470 4.443 4.496 . 0 0 "[ . 1 . 2]" 1
332 1 19 CYS HB3 1 23 LEU HB2 . . 3.110 2.028 1.997 2.086 . 0 0 "[ . 1 . 2]" 1
333 1 19 CYS HB3 1 23 LEU HB3 . . 3.470 2.288 2.229 2.329 . 0 0 "[ . 1 . 2]" 1
334 1 19 CYS HB3 1 23 LEU MD1 . . 3.630 2.509 2.465 2.568 . 0 0 "[ . 1 . 2]" 1
335 1 19 CYS HB3 1 23 LEU MD2 . . 4.450 4.124 4.099 4.137 . 0 0 "[ . 1 . 2]" 1
336 1 19 CYS HB3 1 23 LEU HG . . 4.700 4.164 4.142 4.203 . 0 0 "[ . 1 . 2]" 1
337 1 19 CYS HB3 1 24 GLN H . . 5.070 3.852 3.804 3.919 . 0 0 "[ . 1 . 2]" 1
338 1 19 CYS HB3 1 24 GLN HA . . 4.870 4.399 4.335 4.486 . 0 0 "[ . 1 . 2]" 1
339 1 19 CYS HB3 1 30 CYS HB2 . . 5.300 4.762 4.725 4.782 . 0 0 "[ . 1 . 2]" 1
340 1 19 CYS HB3 1 31 LEU H . . 5.210 5.121 5.066 5.184 . 0 0 "[ . 1 . 2]" 1
341 1 20 CYS H 1 20 CYS HB2 . . 2.970 2.119 2.107 2.127 . 0 0 "[ . 1 . 2]" 1
342 1 20 CYS H 1 20 CYS HB3 . . 3.430 3.198 3.172 3.353 . 0 0 "[ . 1 . 2]" 1
343 1 20 CYS H 1 21 ILE H . . 4.520 4.498 4.465 4.524 0.004 14 0 "[ . 1 . 2]" 1
344 1 20 CYS H 1 21 ILE MG . . 5.500 5.502 5.489 5.524 0.024 20 0 "[ . 1 . 2]" 1
345 1 20 CYS H 1 23 LEU H . . 5.500 5.513 5.505 5.523 0.023 13 0 "[ . 1 . 2]" 1
346 1 20 CYS H 1 23 LEU HB2 . . 4.090 3.239 3.200 3.259 . 0 0 "[ . 1 . 2]" 1
347 1 20 CYS H 1 23 LEU HB3 . . 4.610 4.023 3.970 4.061 . 0 0 "[ . 1 . 2]" 1
348 1 20 CYS H 1 23 LEU MD1 . . 3.080 1.851 1.838 1.869 . 0 0 "[ . 1 . 2]" 1
349 1 20 CYS H 1 23 LEU MD2 . . 4.470 4.463 4.440 4.493 0.023 17 0 "[ . 1 . 2]" 1
350 1 20 CYS H 1 23 LEU HG . . 4.790 3.918 3.896 3.942 . 0 0 "[ . 1 . 2]" 1
351 1 20 CYS HA 1 21 ILE H . . 2.750 2.648 2.591 2.696 . 0 0 "[ . 1 . 2]" 1
352 1 20 CYS HA 1 21 ILE HA . . 4.490 4.315 4.306 4.322 . 0 0 "[ . 1 . 2]" 1
353 1 20 CYS HB2 1 21 ILE H . . 3.870 3.684 3.621 3.726 . 0 0 "[ . 1 . 2]" 1
354 1 20 CYS HB2 1 23 LEU MD1 . . 3.230 2.167 1.990 2.219 . 0 0 "[ . 1 . 2]" 1
355 1 20 CYS HB2 1 23 LEU MD2 . . 5.360 4.791 4.620 4.871 . 0 0 "[ . 1 . 2]" 1
356 1 20 CYS HB3 1 21 ILE H . . 2.810 2.282 2.182 2.363 . 0 0 "[ . 1 . 2]" 1
357 1 20 CYS HB3 1 21 ILE MG . . 4.290 2.900 2.811 2.929 . 0 0 "[ . 1 . 2]" 1
358 1 20 CYS HB3 1 23 LEU MD1 . . 3.920 2.559 2.486 2.799 . 0 0 "[ . 1 . 2]" 1
359 1 20 CYS HB3 1 23 LEU MD2 . . 5.300 4.736 4.665 5.000 . 0 0 "[ . 1 . 2]" 1
360 1 20 CYS HB3 1 23 LEU HG . . 5.150 3.619 3.556 3.935 . 0 0 "[ . 1 . 2]" 1
361 1 21 ILE H 1 21 ILE HB . . 2.920 2.586 2.562 2.602 . 0 0 "[ . 1 . 2]" 1
362 1 21 ILE H 1 21 ILE MG . . 3.090 2.069 1.925 2.122 . 0 0 "[ . 1 . 2]" 1
363 1 21 ILE H 1 22 GLY H . . 5.350 4.623 4.608 4.630 . 0 0 "[ . 1 . 2]" 1
364 1 21 ILE H 1 23 LEU MD1 . . 5.060 4.173 4.114 4.265 . 0 0 "[ . 1 . 2]" 1
365 1 21 ILE HA 1 21 ILE HB . . 2.820 2.434 2.422 2.452 . 0 0 "[ . 1 . 2]" 1
366 1 21 ILE HA 1 21 ILE HG12 . . 3.800 3.318 3.100 3.715 . 0 0 "[ . 1 . 2]" 1
367 1 21 ILE HA 1 21 ILE QG . . 3.230 2.401 2.280 2.959 . 0 0 "[ . 1 . 2]" 1
368 1 21 ILE HA 1 21 ILE HG13 . . 3.800 2.468 2.315 3.108 . 0 0 "[ . 1 . 2]" 1
369 1 21 ILE HA 1 21 ILE MG . . 3.230 3.187 3.183 3.196 . 0 0 "[ . 1 . 2]" 1
370 1 21 ILE HA 1 22 GLY H . . 2.550 2.227 2.198 2.246 . 0 0 "[ . 1 . 2]" 1
371 1 21 ILE HA 1 22 GLY HA2 . . 4.600 4.447 4.433 4.452 . 0 0 "[ . 1 . 2]" 1
372 1 21 ILE HA 1 22 GLY HA3 . . 4.680 4.482 4.457 4.498 . 0 0 "[ . 1 . 2]" 1
373 1 21 ILE HB 1 22 GLY H . . 4.340 4.010 3.990 4.054 . 0 0 "[ . 1 . 2]" 1
374 1 21 ILE QG 1 21 ILE MG . . 2.630 2.119 2.004 2.241 . 0 0 "[ . 1 . 2]" 1
375 1 21 ILE QG 1 22 GLY H . . 3.550 2.228 2.035 2.544 . 0 0 "[ . 1 . 2]" 1
376 1 21 ILE QG 1 22 GLY HA3 . . 4.280 3.231 3.138 3.340 . 0 0 "[ . 1 . 2]" 1
377 1 21 ILE HG12 1 22 GLY H . . 4.140 2.920 2.474 3.942 . 0 0 "[ . 1 . 2]" 1
378 1 21 ILE HG13 1 22 GLY H . . 4.140 2.341 2.072 2.576 . 0 0 "[ . 1 . 2]" 1
379 1 21 ILE MG 1 22 GLY H . . 4.550 3.839 3.768 3.921 . 0 0 "[ . 1 . 2]" 1
380 1 21 ILE MG 1 22 GLY HA3 . . 4.530 3.891 3.786 3.987 . 0 0 "[ . 1 . 2]" 1
381 1 22 GLY H 1 22 GLY HA2 . . 2.770 2.301 2.296 2.307 . 0 0 "[ . 1 . 2]" 1
382 1 22 GLY H 1 23 LEU H . . 2.890 2.589 2.527 2.650 . 0 0 "[ . 1 . 2]" 1
383 1 22 GLY H 1 23 LEU HA . . 5.380 5.237 5.189 5.284 . 0 0 "[ . 1 . 2]" 1
384 1 22 GLY H 1 23 LEU HB2 . . 5.190 4.843 4.760 4.874 . 0 0 "[ . 1 . 2]" 1
385 1 22 GLY H 1 23 LEU MD2 . . 5.500 5.452 5.401 5.523 0.023 18 0 "[ . 1 . 2]" 1
386 1 22 GLY HA2 1 23 LEU MD2 . . 5.500 4.827 4.781 4.882 . 0 0 "[ . 1 . 2]" 1
387 1 22 GLY HA3 1 23 LEU MD1 . . 5.500 5.389 5.326 5.457 . 0 0 "[ . 1 . 2]" 1
388 1 22 GLY HA3 1 23 LEU MD2 . . 5.010 4.193 4.110 4.275 . 0 0 "[ . 1 . 2]" 1
389 1 22 GLY HA3 1 23 LEU HG . . 5.150 4.046 3.995 4.119 . 0 0 "[ . 1 . 2]" 1
390 1 22 GLY HA3 1 32 VAL QG . . 5.010 4.634 4.413 4.765 . 0 0 "[ . 1 . 2]" 1
391 1 22 GLY HA3 1 33 ARG H . . 5.500 4.855 4.698 4.948 . 0 0 "[ . 1 . 2]" 1
392 1 22 GLY HA3 1 33 ARG QB . . 4.840 4.265 4.058 4.523 . 0 0 "[ . 1 . 2]" 1
393 1 23 LEU H 1 23 LEU HB2 . . 3.140 2.671 2.642 2.704 . 0 0 "[ . 1 . 2]" 1
394 1 23 LEU H 1 23 LEU HB3 . . 3.880 3.795 3.777 3.812 . 0 0 "[ . 1 . 2]" 1
395 1 23 LEU H 1 23 LEU MD1 . . 4.360 4.263 4.240 4.301 . 0 0 "[ . 1 . 2]" 1
396 1 23 LEU H 1 23 LEU MD2 . . 4.090 3.928 3.879 3.978 . 0 0 "[ . 1 . 2]" 1
397 1 23 LEU H 1 23 LEU HG . . 3.320 3.265 3.220 3.332 0.012 17 0 "[ . 1 . 2]" 1
398 1 23 LEU H 1 24 GLN H . . 4.610 4.439 4.427 4.444 . 0 0 "[ . 1 . 2]" 1
399 1 23 LEU HA 1 23 LEU MD1 . . 4.270 3.846 3.830 3.857 . 0 0 "[ . 1 . 2]" 1
400 1 23 LEU HA 1 23 LEU MD2 . . 3.430 2.122 2.075 2.158 . 0 0 "[ . 1 . 2]" 1
401 1 23 LEU HA 1 24 GLN H . . 2.810 2.468 2.456 2.482 . 0 0 "[ . 1 . 2]" 1
402 1 23 LEU HA 1 31 LEU H . . 4.950 4.654 4.608 4.725 . 0 0 "[ . 1 . 2]" 1
403 1 23 LEU HA 1 32 VAL HA . . 3.560 2.687 2.639 2.726 . 0 0 "[ . 1 . 2]" 1
404 1 23 LEU HA 1 33 ARG H . . 3.520 2.065 1.942 2.116 . 0 0 "[ . 1 . 2]" 1
405 1 23 LEU HB2 1 23 LEU MD1 . . 3.050 2.391 2.376 2.414 . 0 0 "[ . 1 . 2]" 1
406 1 23 LEU HB2 1 23 LEU MD2 . . 3.480 3.185 3.182 3.194 . 0 0 "[ . 1 . 2]" 1
407 1 23 LEU HB2 1 24 GLN H . . 3.660 3.537 3.509 3.597 . 0 0 "[ . 1 . 2]" 1
408 1 23 LEU HB2 1 31 LEU H . . 5.500 5.507 5.494 5.523 0.023 18 0 "[ . 1 . 2]" 1
409 1 23 LEU HB2 1 33 ARG H . . 5.500 5.030 4.896 5.077 . 0 0 "[ . 1 . 2]" 1
410 1 23 LEU HB3 1 23 LEU MD1 . . 3.210 2.268 2.253 2.289 . 0 0 "[ . 1 . 2]" 1
411 1 23 LEU HB3 1 23 LEU MD2 . . 3.160 2.301 2.279 2.339 . 0 0 "[ . 1 . 2]" 1
412 1 23 LEU HB3 1 24 GLN H . . 3.120 2.265 2.234 2.292 . 0 0 "[ . 1 . 2]" 1
413 1 23 LEU HB3 1 30 CYS HB3 . . 5.080 4.730 4.672 4.869 . 0 0 "[ . 1 . 2]" 1
414 1 23 LEU HB3 1 32 VAL HA . . 4.710 4.419 4.367 4.463 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU MD1 1 24 GLN H . . 4.430 4.196 4.166 4.222 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU MD1 1 30 CYS HB3 . . 4.200 4.080 3.986 4.163 . 0 0 "[ . 1 . 2]" 1
417 1 23 LEU MD1 1 31 LEU H . . 5.170 4.884 4.777 4.961 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU MD1 1 33 ARG H . . 5.500 5.436 5.312 5.492 . 0 0 "[ . 1 . 2]" 1
419 1 23 LEU MD2 1 24 GLN H . . 3.420 3.114 2.986 3.255 . 0 0 "[ . 1 . 2]" 1
420 1 23 LEU MD2 1 30 CYS HB3 . . 4.760 4.620 4.514 4.735 . 0 0 "[ . 1 . 2]" 1
421 1 23 LEU MD2 1 31 LEU H . . 4.040 3.925 3.787 4.028 . 0 0 "[ . 1 . 2]" 1
422 1 23 LEU MD2 1 31 LEU HA . . 4.540 3.816 3.690 3.909 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU MD2 1 32 VAL H . . 4.180 3.895 3.737 3.962 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU MD2 1 32 VAL HA . . 2.780 2.301 2.192 2.384 . 0 0 "[ . 1 . 2]" 1
425 1 23 LEU MD2 1 32 VAL HB . . 4.450 3.695 3.485 4.515 0.065 18 0 "[ . 1 . 2]" 1
426 1 23 LEU MD2 1 32 VAL QG . . 3.370 3.181 2.581 3.341 . 0 0 "[ . 1 . 2]" 1
427 1 23 LEU MD2 1 33 ARG H . . 3.660 3.180 3.035 3.272 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU HG 1 24 GLN H . . 4.950 4.793 4.762 4.814 . 0 0 "[ . 1 . 2]" 1
429 1 23 LEU HG 1 32 VAL HA . . 5.000 4.637 4.478 4.715 . 0 0 "[ . 1 . 2]" 1
430 1 24 GLN H 1 24 GLN HB2 . . 3.700 3.498 3.484 3.521 . 0 0 "[ . 1 . 2]" 1
431 1 24 GLN H 1 24 GLN HB3 . . 3.700 2.814 2.808 2.819 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLN H 1 24 GLN HE21 . . 5.410 5.289 5.189 5.420 0.010 20 0 "[ . 1 . 2]" 1
433 1 24 GLN H 1 25 CYS H . . 4.430 4.323 4.311 4.333 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLN H 1 30 CYS HA . . 5.380 4.239 4.223 4.282 . 0 0 "[ . 1 . 2]" 1
435 1 24 GLN H 1 30 CYS HB2 . . 5.500 5.551 5.543 5.557 0.057 19 0 "[ . 1 . 2]" 1
436 1 24 GLN H 1 31 LEU H . . 3.320 2.637 2.600 2.684 . 0 0 "[ . 1 . 2]" 1
437 1 24 GLN H 1 31 LEU HA . . 5.500 4.640 4.616 4.674 . 0 0 "[ . 1 . 2]" 1
438 1 24 GLN H 1 31 LEU HB2 . . 4.940 4.857 4.818 4.882 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLN H 1 31 LEU MD1 . . 5.500 4.941 4.870 5.002 . 0 0 "[ . 1 . 2]" 1
440 1 24 GLN H 1 31 LEU QD . . 4.770 4.433 4.390 4.464 . 0 0 "[ . 1 . 2]" 1
441 1 24 GLN H 1 31 LEU MD2 . . 5.500 5.014 4.946 5.073 . 0 0 "[ . 1 . 2]" 1
442 1 24 GLN H 1 32 VAL H . . 4.980 5.000 4.955 5.014 0.034 15 0 "[ . 1 . 2]" 1
443 1 24 GLN H 1 32 VAL HA . . 3.970 3.973 3.942 3.979 0.009 13 0 "[ . 1 . 2]" 1
444 1 24 GLN H 1 33 ARG H . . 4.260 3.548 3.493 3.588 . 0 0 "[ . 1 . 2]" 1
445 1 24 GLN H 1 33 ARG HA . . 5.160 4.460 4.197 4.681 . 0 0 "[ . 1 . 2]" 1
446 1 24 GLN H 1 33 ARG QB . . 5.080 3.612 3.331 3.919 . 0 0 "[ . 1 . 2]" 1
447 1 24 GLN HA 1 24 GLN HE21 . . 5.500 4.862 4.748 4.973 . 0 0 "[ . 1 . 2]" 1
448 1 24 GLN HA 1 25 CYS H . . 2.540 2.244 2.231 2.253 . 0 0 "[ . 1 . 2]" 1
449 1 24 GLN HA 1 25 CYS HB2 . . 4.680 4.474 4.460 4.489 . 0 0 "[ . 1 . 2]" 1
450 1 24 GLN HA 1 25 CYS HB3 . . 5.120 4.579 4.566 4.593 . 0 0 "[ . 1 . 2]" 1
451 1 24 GLN HA 1 31 LEU H . . 4.890 4.644 4.628 4.663 . 0 0 "[ . 1 . 2]" 1
452 1 24 GLN QB 1 25 CYS H . . 3.710 3.526 3.512 3.548 . 0 0 "[ . 1 . 2]" 1
453 1 24 GLN QB 1 31 LEU H . . 4.910 3.823 3.784 3.892 . 0 0 "[ . 1 . 2]" 1
454 1 24 GLN QB 1 33 ARG H . . 4.210 3.637 3.613 3.680 . 0 0 "[ . 1 . 2]" 1
455 1 24 GLN QB 1 33 ARG HA . . 4.080 2.562 2.366 2.770 . 0 0 "[ . 1 . 2]" 1
456 1 24 GLN QB 1 33 ARG QD . . 3.760 2.805 1.932 3.759 . 0 0 "[ . 1 . 2]" 1
457 1 24 GLN HB2 1 25 CYS H . . 4.270 3.875 3.851 3.897 . 0 0 "[ . 1 . 2]" 1
458 1 24 GLN HB2 1 33 ARG HA . . 4.820 3.053 2.845 3.316 . 0 0 "[ . 1 . 2]" 1
459 1 24 GLN HB3 1 25 CYS H . . 4.270 4.055 4.024 4.089 . 0 0 "[ . 1 . 2]" 1
460 1 24 GLN HB3 1 33 ARG HA . . 4.820 2.752 2.530 2.974 . 0 0 "[ . 1 . 2]" 1
461 1 24 GLN HE21 1 25 CYS H . . 5.500 5.434 5.385 5.482 . 0 0 "[ . 1 . 2]" 1
462 1 24 GLN HE21 1 31 LEU HB2 . . 5.500 5.498 5.468 5.508 0.008 18 0 "[ . 1 . 2]" 1
463 1 24 GLN HE21 1 31 LEU QD . . 5.440 3.575 3.488 3.734 . 0 0 "[ . 1 . 2]" 1
464 1 24 GLN HE21 1 33 ARG HA . . 3.800 2.922 2.745 3.225 . 0 0 "[ . 1 . 2]" 1
465 1 24 GLN HE21 1 33 ARG HB2 . . 5.500 4.403 4.125 5.025 . 0 0 "[ . 1 . 2]" 1
466 1 24 GLN HE21 1 33 ARG HB3 . . 5.500 5.494 5.443 5.502 0.002 19 0 "[ . 1 . 2]" 1
467 1 24 GLN HE21 1 33 ARG QG . . 5.500 3.517 2.962 4.631 . 0 0 "[ . 1 . 2]" 1
468 1 24 GLN QG 1 25 CYS H . . 4.100 2.058 2.019 2.120 . 0 0 "[ . 1 . 2]" 1
469 1 24 GLN QG 1 26 ARG HB3 . . 4.920 4.373 4.358 4.404 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLN QG 1 26 ARG HE . . 4.830 3.157 2.613 4.335 . 0 0 "[ . 1 . 2]" 1
471 1 24 GLN QG 1 26 ARG HG2 . . 4.950 1.940 1.926 1.950 . 0 0 "[ . 1 . 2]" 1
472 1 24 GLN QG 1 26 ARG HG3 . . 4.730 2.535 2.521 2.553 . 0 0 "[ . 1 . 2]" 1
473 1 24 GLN QG 1 31 LEU HB2 . . 5.200 5.216 5.210 5.226 0.026 20 0 "[ . 1 . 2]" 1
474 1 24 GLN HG2 1 26 ARG HE . . 5.500 3.540 3.117 4.690 . 0 0 "[ . 1 . 2]" 1
475 1 24 GLN HG2 1 31 LEU H . . 5.500 4.634 4.614 4.668 . 0 0 "[ . 1 . 2]" 1
476 1 24 GLN HG2 1 33 ARG HA . . 5.500 4.595 4.480 4.759 . 0 0 "[ . 1 . 2]" 1
477 1 24 GLN HG3 1 26 ARG HE . . 5.500 3.608 2.764 5.103 . 0 0 "[ . 1 . 2]" 1
478 1 24 GLN HG3 1 31 LEU H . . 5.500 5.338 5.318 5.363 . 0 0 "[ . 1 . 2]" 1
479 1 24 GLN HG3 1 33 ARG HA . . 5.500 5.277 5.094 5.497 . 0 0 "[ . 1 . 2]" 1
480 1 25 CYS H 1 25 CYS HB2 . . 2.910 2.900 2.889 2.911 0.001 16 0 "[ . 1 . 2]" 1
481 1 25 CYS H 1 25 CYS HB3 . . 2.970 2.481 2.468 2.489 . 0 0 "[ . 1 . 2]" 1
482 1 25 CYS H 1 26 ARG H . . 4.370 4.300 4.295 4.308 . 0 0 "[ . 1 . 2]" 1
483 1 25 CYS H 1 26 ARG HG2 . . 5.500 3.655 3.641 3.680 . 0 0 "[ . 1 . 2]" 1
484 1 25 CYS H 1 31 LEU H . . 5.250 4.891 4.878 4.899 . 0 0 "[ . 1 . 2]" 1
485 1 25 CYS HA 1 31 LEU H . . 5.270 3.557 3.499 3.596 . 0 0 "[ . 1 . 2]" 1
486 1 25 CYS HB2 1 31 LEU H . . 5.500 5.407 5.344 5.457 . 0 0 "[ . 1 . 2]" 1
487 1 26 ARG H 1 26 ARG HB2 . . 3.400 2.847 2.839 2.853 . 0 0 "[ . 1 . 2]" 1
488 1 26 ARG H 1 26 ARG HB3 . . 4.040 3.892 3.887 3.895 . 0 0 "[ . 1 . 2]" 1
489 1 26 ARG H 1 26 ARG HG2 . . 4.100 3.303 3.291 3.315 . 0 0 "[ . 1 . 2]" 1
490 1 26 ARG H 1 26 ARG HG3 . . 4.400 4.462 4.449 4.475 0.075 15 0 "[ . 1 . 2]" 1
491 1 26 ARG H 1 27 TYR H . . 4.640 4.342 4.340 4.346 . 0 0 "[ . 1 . 2]" 1
492 1 26 ARG H 1 28 GLY H . . 4.590 4.549 4.540 4.564 . 0 0 "[ . 1 . 2]" 1
493 1 26 ARG H 1 29 LYS H . . 3.320 3.294 3.289 3.301 . 0 0 "[ . 1 . 2]" 1
494 1 26 ARG H 1 29 LYS HA . . 5.110 4.838 4.830 4.850 . 0 0 "[ . 1 . 2]" 1
495 1 26 ARG H 1 30 CYS H . . 5.390 4.783 4.731 4.802 . 0 0 "[ . 1 . 2]" 1
496 1 26 ARG H 1 30 CYS HA . . 4.840 3.016 2.976 3.036 . 0 0 "[ . 1 . 2]" 1
497 1 26 ARG H 1 31 LEU H . . 4.550 4.064 4.032 4.086 . 0 0 "[ . 1 . 2]" 1
498 1 26 ARG H 1 31 LEU QD . . 3.940 2.384 2.213 2.524 . 0 0 "[ . 1 . 2]" 1
499 1 26 ARG H 1 31 LEU HG . . 4.510 3.335 3.295 3.378 . 0 0 "[ . 1 . 2]" 1
500 1 26 ARG HA 1 26 ARG HG2 . . 4.200 2.910 2.888 2.922 . 0 0 "[ . 1 . 2]" 1
501 1 26 ARG HA 1 26 ARG HG3 . . 3.920 3.763 3.758 3.766 . 0 0 "[ . 1 . 2]" 1
502 1 26 ARG HA 1 27 TYR H . . 2.510 2.258 2.256 2.261 . 0 0 "[ . 1 . 2]" 1
503 1 26 ARG HA 1 27 TYR HA . . 4.810 4.438 4.437 4.440 . 0 0 "[ . 1 . 2]" 1
504 1 26 ARG HA 1 27 TYR QD . . 4.760 4.153 4.097 4.168 . 0 0 "[ . 1 . 2]" 1
505 1 26 ARG HA 1 27 TYR QE . . 5.090 5.123 5.118 5.127 0.037 1 0 "[ . 1 . 2]" 1
506 1 26 ARG HA 1 28 GLY H . . 4.160 3.504 3.499 3.516 . 0 0 "[ . 1 . 2]" 1
507 1 26 ARG HA 1 28 GLY HA2 . . 5.500 5.343 5.337 5.357 . 0 0 "[ . 1 . 2]" 1
508 1 26 ARG HA 1 29 LYS H . . 4.730 4.190 4.180 4.194 . 0 0 "[ . 1 . 2]" 1
509 1 26 ARG HB2 1 27 TYR H . . 4.160 3.940 3.931 3.951 . 0 0 "[ . 1 . 2]" 1
510 1 26 ARG HB2 1 27 TYR QD . . 4.270 2.509 2.467 2.519 . 0 0 "[ . 1 . 2]" 1
511 1 26 ARG HB2 1 27 TYR QE . . 4.870 2.837 2.814 2.891 . 0 0 "[ . 1 . 2]" 1
512 1 26 ARG HB2 1 31 LEU H . . 5.320 5.186 5.150 5.228 . 0 0 "[ . 1 . 2]" 1
513 1 26 ARG HB2 1 31 LEU MD1 . . 3.640 2.136 2.054 2.230 . 0 0 "[ . 1 . 2]" 1
514 1 26 ARG HB2 1 31 LEU QD . . 3.000 2.059 1.988 2.133 . 0 0 "[ . 1 . 2]" 1
515 1 26 ARG HB2 1 31 LEU MD2 . . 3.640 2.702 2.582 2.759 . 0 0 "[ . 1 . 2]" 1
516 1 26 ARG HB3 1 26 ARG HD2 . . 3.920 2.430 2.217 2.955 . 0 0 "[ . 1 . 2]" 1
517 1 26 ARG HB3 1 26 ARG QD . . 3.350 2.270 2.190 2.368 . 0 0 "[ . 1 . 2]" 1
518 1 26 ARG HB3 1 26 ARG HD3 . . 3.920 2.986 2.385 3.403 . 0 0 "[ . 1 . 2]" 1
519 1 26 ARG HB3 1 27 TYR H . . 3.870 2.814 2.804 2.821 . 0 0 "[ . 1 . 2]" 1
520 1 26 ARG HB3 1 27 TYR QD . . 3.770 2.837 2.724 2.871 . 0 0 "[ . 1 . 2]" 1
521 1 26 ARG HB3 1 27 TYR QE . . 4.110 2.928 2.871 2.946 . 0 0 "[ . 1 . 2]" 1
522 1 26 ARG HB3 1 29 LYS H . . 5.500 5.375 5.364 5.379 . 0 0 "[ . 1 . 2]" 1
523 1 26 ARG QD 1 27 TYR H . . 4.730 3.346 3.216 3.430 . 0 0 "[ . 1 . 2]" 1
524 1 26 ARG QD 1 27 TYR QE . . 4.540 4.428 4.316 4.539 . 0 0 "[ . 1 . 2]" 1
525 1 26 ARG HE 1 26 ARG HG2 . . 3.890 2.729 2.124 3.656 . 0 0 "[ . 1 . 2]" 1
526 1 26 ARG HG2 1 27 TYR H . . 4.960 4.852 4.836 4.863 . 0 0 "[ . 1 . 2]" 1
527 1 26 ARG HG2 1 27 TYR QD . . 4.910 4.917 4.875 4.930 0.020 19 0 "[ . 1 . 2]" 1
528 1 26 ARG HG2 1 27 TYR QE . . 5.070 4.935 4.924 4.961 . 0 0 "[ . 1 . 2]" 1
529 1 26 ARG HG2 1 31 LEU H . . 5.500 5.515 5.504 5.538 0.038 16 0 "[ . 1 . 2]" 1
530 1 26 ARG HG3 1 27 TYR QD . . 4.600 4.585 4.518 4.604 0.004 14 0 "[ . 1 . 2]" 1
531 1 26 ARG HG3 1 27 TYR QE . . 4.820 3.807 3.795 3.811 . 0 0 "[ . 1 . 2]" 1
532 1 27 TYR H 1 27 TYR HA . . 2.590 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
533 1 27 TYR H 1 27 TYR HB2 . . 4.170 3.726 3.711 3.732 . 0 0 "[ . 1 . 2]" 1
534 1 27 TYR H 1 27 TYR QB . . 3.600 3.427 3.421 3.429 . 0 0 "[ . 1 . 2]" 1
535 1 27 TYR H 1 27 TYR HB3 . . 4.170 4.000 3.996 4.009 . 0 0 "[ . 1 . 2]" 1
536 1 27 TYR H 1 27 TYR QD . . 3.920 3.505 3.482 3.511 . 0 0 "[ . 1 . 2]" 1
537 1 27 TYR H 1 27 TYR QE . . 4.910 4.665 4.662 4.667 . 0 0 "[ . 1 . 2]" 1
538 1 27 TYR H 1 28 GLY H . . 3.040 2.635 2.633 2.637 . 0 0 "[ . 1 . 2]" 1
539 1 27 TYR H 1 28 GLY HA2 . . 5.290 4.923 4.921 4.926 . 0 0 "[ . 1 . 2]" 1
540 1 27 TYR H 1 29 LYS H . . 4.930 4.040 4.029 4.044 . 0 0 "[ . 1 . 2]" 1
541 1 27 TYR H 1 31 LEU QD . . 5.060 4.441 4.412 4.472 . 0 0 "[ . 1 . 2]" 1
542 1 27 TYR HA 1 27 TYR QD . . 3.170 2.930 2.924 2.948 . 0 0 "[ . 1 . 2]" 1
543 1 27 TYR HA 1 27 TYR QE . . 4.950 4.808 4.799 4.813 . 0 0 "[ . 1 . 2]" 1
544 1 27 TYR HA 1 28 GLY H . . 2.890 2.856 2.850 2.858 . 0 0 "[ . 1 . 2]" 1
545 1 27 TYR QB 1 29 LYS H . . 4.300 3.298 3.292 3.304 . 0 0 "[ . 1 . 2]" 1
546 1 27 TYR HB2 1 28 GLY H . . 4.690 4.161 4.159 4.167 . 0 0 "[ . 1 . 2]" 1
547 1 27 TYR HB3 1 28 GLY H . . 4.690 4.537 4.529 4.540 . 0 0 "[ . 1 . 2]" 1
548 1 27 TYR QD 1 28 GLY H . . 4.860 4.848 4.846 4.851 . 0 0 "[ . 1 . 2]" 1
549 1 27 TYR QD 1 31 LEU QD . . 3.630 2.009 1.923 2.135 . 0 0 "[ . 1 . 2]" 1
550 1 27 TYR QE 1 31 LEU HB3 . . 5.500 5.513 5.505 5.518 0.018 14 0 "[ . 1 . 2]" 1
551 1 27 TYR QE 1 31 LEU MD1 . . 4.870 2.169 2.109 2.305 . 0 0 "[ . 1 . 2]" 1
552 1 27 TYR QE 1 31 LEU QD . . 4.250 2.147 2.091 2.269 . 0 0 "[ . 1 . 2]" 1
553 1 27 TYR QE 1 31 LEU MD2 . . 4.870 3.450 3.391 3.485 . 0 0 "[ . 1 . 2]" 1
554 1 27 TYR QE 1 31 LEU HG . . 5.500 4.786 4.739 4.873 . 0 0 "[ . 1 . 2]" 1
555 1 28 GLY H 1 28 GLY HA2 . . 2.750 2.297 2.296 2.297 . 0 0 "[ . 1 . 2]" 1
556 1 28 GLY H 1 29 LYS H . . 3.130 2.659 2.658 2.661 . 0 0 "[ . 1 . 2]" 1
557 1 28 GLY H 1 29 LYS QB . . 5.160 4.775 4.770 4.782 . 0 0 "[ . 1 . 2]" 1
558 1 28 GLY HA3 1 29 LYS HA . . 5.460 4.617 4.609 4.620 . 0 0 "[ . 1 . 2]" 1
559 1 28 GLY HA3 1 29 LYS QG . . 5.330 4.488 4.418 4.527 . 0 0 "[ . 1 . 2]" 1
560 1 29 LYS H 1 29 LYS HB2 . . 3.680 2.690 2.671 2.698 . 0 0 "[ . 1 . 2]" 1
561 1 29 LYS H 1 29 LYS QB . . 2.970 2.616 2.600 2.622 . 0 0 "[ . 1 . 2]" 1
562 1 29 LYS H 1 29 LYS HB3 . . 3.680 3.572 3.562 3.593 . 0 0 "[ . 1 . 2]" 1
563 1 29 LYS H 1 29 LYS QD . . 5.320 4.754 4.547 4.973 . 0 0 "[ . 1 . 2]" 1
564 1 29 LYS H 1 29 LYS QE . . 5.120 4.522 3.915 5.060 . 0 0 "[ . 1 . 2]" 1
565 1 29 LYS H 1 29 LYS QG . . 4.230 3.865 3.837 3.885 . 0 0 "[ . 1 . 2]" 1
566 1 29 LYS H 1 30 CYS H . . 4.490 4.414 4.397 4.418 . 0 0 "[ . 1 . 2]" 1
567 1 29 LYS H 1 31 LEU QD . . 4.400 3.573 3.536 3.631 . 0 0 "[ . 1 . 2]" 1
568 1 29 LYS HA 1 29 LYS QE . . 5.390 4.039 3.865 4.272 . 0 0 "[ . 1 . 2]" 1
569 1 29 LYS HA 1 30 CYS H . . 2.730 2.461 2.423 2.574 . 0 0 "[ . 1 . 2]" 1
570 1 29 LYS HA 1 30 CYS HB2 . . 5.500 4.264 4.225 4.311 . 0 0 "[ . 1 . 2]" 1
571 1 29 LYS HA 1 30 CYS HB3 . . 5.500 5.015 4.936 5.083 . 0 0 "[ . 1 . 2]" 1
572 1 29 LYS QB 1 29 LYS QE . . 3.780 2.456 1.978 3.192 . 0 0 "[ . 1 . 2]" 1
573 1 29 LYS QB 1 30 CYS H . . 2.900 2.468 2.211 2.538 . 0 0 "[ . 1 . 2]" 1
574 1 29 LYS QB 1 31 LEU H . . 5.340 5.295 5.276 5.312 . 0 0 "[ . 1 . 2]" 1
575 1 29 LYS QD 1 30 CYS H . . 4.940 4.478 4.236 4.771 . 0 0 "[ . 1 . 2]" 1
576 1 29 LYS QG 1 30 CYS H . . 4.190 2.872 2.819 2.945 . 0 0 "[ . 1 . 2]" 1
577 1 29 LYS QG 1 30 CYS HB2 . . 5.260 5.063 4.970 5.190 . 0 0 "[ . 1 . 2]" 1
578 1 29 LYS QG 1 30 CYS HB3 . . 5.060 5.072 5.066 5.074 0.014 7 0 "[ . 1 . 2]" 1
579 1 30 CYS H 1 30 CYS HB2 . . 3.650 2.626 2.587 2.688 . 0 0 "[ . 1 . 2]" 1
580 1 30 CYS H 1 30 CYS HB3 . . 3.690 2.713 2.645 2.769 . 0 0 "[ . 1 . 2]" 1
581 1 30 CYS H 1 31 LEU H . . 4.580 4.549 4.524 4.556 . 0 0 "[ . 1 . 2]" 1
582 1 30 CYS H 1 31 LEU QD . . 4.330 3.540 3.490 3.632 . 0 0 "[ . 1 . 2]" 1
583 1 30 CYS H 1 31 LEU HG . . 5.500 5.525 5.513 5.537 0.037 19 0 "[ . 1 . 2]" 1
584 1 30 CYS HA 1 31 LEU H . . 3.190 2.244 2.237 2.257 . 0 0 "[ . 1 . 2]" 1
585 1 30 CYS HA 1 31 LEU QD . . 3.440 2.767 2.654 2.947 . 0 0 "[ . 1 . 2]" 1
586 1 30 CYS HB2 1 31 LEU H . . 4.390 4.149 4.105 4.169 . 0 0 "[ . 1 . 2]" 1
587 1 30 CYS HB3 1 31 LEU H . . 4.500 3.734 3.671 3.806 . 0 0 "[ . 1 . 2]" 1
588 1 31 LEU H 1 31 LEU HB2 . . 3.570 3.618 3.598 3.631 0.061 17 0 "[ . 1 . 2]" 1
589 1 31 LEU H 1 31 LEU QD . . 3.990 2.840 2.777 2.901 . 0 0 "[ . 1 . 2]" 1
590 1 31 LEU H 1 31 LEU HG . . 3.520 2.265 2.237 2.287 . 0 0 "[ . 1 . 2]" 1
591 1 31 LEU H 1 32 VAL H . . 4.430 4.394 4.392 4.396 . 0 0 "[ . 1 . 2]" 1
592 1 31 LEU H 1 32 VAL HA . . 5.150 4.929 4.910 4.943 . 0 0 "[ . 1 . 2]" 1
593 1 31 LEU H 1 33 ARG H . . 5.380 5.391 5.388 5.393 0.013 15 0 "[ . 1 . 2]" 1
594 1 31 LEU HA 1 32 VAL H . . 3.480 2.546 2.532 2.549 . 0 0 "[ . 1 . 2]" 1
595 1 31 LEU HB2 1 31 LEU MD1 . . 3.300 2.081 1.984 2.185 . 0 0 "[ . 1 . 2]" 1
596 1 31 LEU HB2 1 31 LEU QD . . 2.820 2.052 1.964 2.145 . 0 0 "[ . 1 . 2]" 1
597 1 31 LEU HB2 1 31 LEU MD2 . . 3.300 3.126 3.116 3.134 . 0 0 "[ . 1 . 2]" 1
598 1 31 LEU HB2 1 32 VAL H . . 3.170 2.251 2.240 2.277 . 0 0 "[ . 1 . 2]" 1
599 1 31 LEU HB3 1 31 LEU QD . . 2.980 2.000 1.953 2.064 . 0 0 "[ . 1 . 2]" 1
600 1 32 VAL H 1 32 VAL HB . . 3.040 2.706 2.494 2.752 . 0 0 "[ . 1 . 2]" 1
601 1 32 VAL H 1 32 VAL QG . . 2.560 2.006 1.962 2.178 . 0 0 "[ . 1 . 2]" 1
602 1 32 VAL HA 1 32 VAL QG . . 2.620 2.255 2.084 2.337 . 0 0 "[ . 1 . 2]" 1
603 1 32 VAL QG 1 33 ARG H . . 3.130 2.749 2.622 2.870 . 0 0 "[ . 1 . 2]" 1
604 1 32 VAL QG 1 33 ARG HA . . 4.320 3.926 3.770 4.167 . 0 0 "[ . 1 . 2]" 1
605 1 33 ARG H 1 33 ARG HB2 . . 3.230 2.481 2.171 2.681 . 0 0 "[ . 1 . 2]" 1
606 1 33 ARG H 1 33 ARG HB3 . . 3.230 2.586 2.382 2.949 . 0 0 "[ . 1 . 2]" 1
607 1 33 ARG H 1 33 ARG QD . . 4.670 4.390 4.164 4.671 0.001 16 0 "[ . 1 . 2]" 1
608 1 33 ARG H 1 33 ARG QG . . 4.160 3.943 3.769 4.002 . 0 0 "[ . 1 . 2]" 1
609 1 33 ARG HA 1 33 ARG QG . . 3.720 2.510 2.150 3.099 . 0 0 "[ . 1 . 2]" 1
610 1 33 ARG QB 1 33 ARG QD . . 3.460 2.204 2.005 2.688 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 2:44:36 PM GMT (wattos1)