NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571099 |
2mhy   |
19660 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhy
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 714
_Distance_constraint_stats_list.Viol_count 978
_Distance_constraint_stats_list.Viol_total 433.797
_Distance_constraint_stats_list.Viol_max 0.238
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0222
_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 LEU 2.497 0.174 17 0 "[ . 1 . 2]"
1 2 GLN 2.885 0.174 17 0 "[ . 1 . 2]"
1 3 CYS 1.639 0.074 20 0 "[ . 1 . 2]"
1 4 ASN 0.480 0.038 20 0 "[ . 1 . 2]"
1 5 THR 0.689 0.045 19 0 "[ . 1 . 2]"
1 6 LEU 0.020 0.010 9 0 "[ . 1 . 2]"
1 7 ASP 0.085 0.033 4 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.291 0.027 11 0 "[ . 1 . 2]"
1 10 THR 0.934 0.039 9 0 "[ . 1 . 2]"
1 11 GLU 0.071 0.013 8 0 "[ . 1 . 2]"
1 12 GLU 0.087 0.047 18 0 "[ . 1 . 2]"
1 13 CYS 0.833 0.047 18 0 "[ . 1 . 2]"
1 14 ILE 0.221 0.030 17 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 0.762 0.206 15 0 "[ . 1 . 2]"
1 18 TYR 1.918 0.206 15 0 "[ . 1 . 2]"
1 19 ASN 0.041 0.021 17 0 "[ . 1 . 2]"
1 20 VAL 1.097 0.057 13 0 "[ . 1 . 2]"
1 21 CYS 1.930 0.150 17 0 "[ . 1 . 2]"
1 22 VAL 1.184 0.046 2 0 "[ . 1 . 2]"
1 23 HIS 0.004 0.004 19 0 "[ . 1 . 2]"
1 24 TYR 2.012 0.073 15 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 1.227 0.073 15 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.375 0.025 7 0 "[ . 1 . 2]"
1 30 GLU 0.175 0.015 15 0 "[ . 1 . 2]"
1 31 TYR 0.833 0.046 2 0 "[ . 1 . 2]"
1 32 LYS 0.435 0.045 19 0 "[ . 1 . 2]"
1 33 SER 0.714 0.042 4 0 "[ . 1 . 2]"
1 34 CYS 0.841 0.057 20 0 "[ . 1 . 2]"
1 35 GLY 0.758 0.082 15 0 "[ . 1 . 2]"
1 36 ILE 1.278 0.059 15 0 "[ . 1 . 2]"
1 37 GLN 1.381 0.115 13 0 "[ . 1 . 2]"
1 38 GLU 0.273 0.115 13 0 "[ . 1 . 2]"
1 39 GLU 1.352 0.152 17 0 "[ . 1 . 2]"
1 40 CYS 2.151 0.152 17 0 "[ . 1 . 2]"
1 41 GLU 0.409 0.090 14 0 "[ . 1 . 2]"
1 42 ASP 0.401 0.124 18 0 "[ . 1 . 2]"
1 43 ALA 0.058 0.011 7 0 "[ . 1 . 2]"
1 44 GLU 0.007 0.007 7 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.001 0.001 7 0 "[ . 1 . 2]"
1 48 VAL 0.417 0.090 14 0 "[ . 1 . 2]"
1 49 LEU 0.369 0.238 12 0 "[ . 1 . 2]"
1 50 CYS 2.141 0.238 12 0 "[ . 1 . 2]"
1 51 CYS 0.808 0.059 14 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.341 0.057 14 0 "[ . 1 . 2]"
1 54 ASP 0.521 0.062 10 0 "[ . 1 . 2]"
1 55 LEU 1.661 0.066 20 0 "[ . 1 . 2]"
1 56 CYS 1.841 0.062 10 0 "[ . 1 . 2]"
1 57 ASN 0.947 0.067 10 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 LEU HA 1 1 LEU MD1 . . 4.430 2.411 2.200 2.511 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU QD . . 2.930 2.017 1.875 2.353 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 1 LEU MD2 . . 4.430 2.530 1.953 3.811 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 2 GLN H . . 2.550 2.334 2.201 2.577 0.027 13 0 "[ . 1 . 2]" 1
5 1 1 LEU HA 1 54 ASP H . . 5.500 5.329 4.942 5.506 0.006 5 0 "[ . 1 . 2]" 1
6 1 1 LEU HA 1 55 LEU H . . 5.500 5.122 4.862 5.400 . 0 0 "[ . 1 . 2]" 1
7 1 1 LEU QB 1 1 LEU MD1 . . 3.140 2.161 2.086 2.217 . 0 0 "[ . 1 . 2]" 1
8 1 1 LEU QB 1 1 LEU QD . . 2.630 1.953 1.857 2.012 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU QB 1 1 LEU MD2 . . 3.140 2.232 2.083 2.307 . 0 0 "[ . 1 . 2]" 1
10 1 1 LEU QB 1 2 GLN H . . 3.340 3.087 2.648 3.344 0.004 20 0 "[ . 1 . 2]" 1
11 1 1 LEU QB 1 3 CYS H . . 5.500 5.513 5.390 5.574 0.074 20 0 "[ . 1 . 2]" 1
12 1 1 LEU QB 1 13 CYS H . . 3.940 3.828 3.676 3.957 0.017 5 0 "[ . 1 . 2]" 1
13 1 1 LEU QB 1 13 CYS HB2 . . 3.780 2.410 2.052 2.675 . 0 0 "[ . 1 . 2]" 1
14 1 1 LEU QB 1 13 CYS HB3 . . 3.990 3.530 3.230 3.911 . 0 0 "[ . 1 . 2]" 1
15 1 1 LEU QD 1 2 GLN H . . 2.760 2.230 1.870 2.934 0.174 17 0 "[ . 1 . 2]" 1
16 1 1 LEU QD 1 13 CYS H . . 5.440 4.548 4.243 5.115 . 0 0 "[ . 1 . 2]" 1
17 1 1 LEU QD 1 53 GLU H . . 3.970 3.889 3.601 4.010 0.040 16 0 "[ . 1 . 2]" 1
18 1 1 LEU QD 1 54 ASP H . . 3.740 3.609 3.340 3.735 . 0 0 "[ . 1 . 2]" 1
19 1 1 LEU QD 1 55 LEU H . . 5.000 3.314 3.029 3.940 . 0 0 "[ . 1 . 2]" 1
20 1 1 LEU MD1 1 2 GLN H . . 3.250 2.347 1.881 3.292 0.042 6 0 "[ . 1 . 2]" 1
21 1 1 LEU MD1 1 53 GLU H . . 5.050 4.453 3.884 4.715 . 0 0 "[ . 1 . 2]" 1
22 1 1 LEU MD2 1 2 GLN H . . 3.250 3.270 3.243 3.298 0.048 17 0 "[ . 1 . 2]" 1
23 1 1 LEU MD2 1 53 GLU H . . 5.050 4.307 4.104 4.465 . 0 0 "[ . 1 . 2]" 1
24 1 1 LEU O 1 13 CYS H . . 2.000 1.996 1.918 2.021 0.021 7 0 "[ . 1 . 2]" 1
25 1 1 LEU O 1 13 CYS N . . 3.000 2.775 2.738 2.859 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLN H 1 2 GLN HB2 . . 3.130 2.564 2.478 2.734 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLN H 1 2 GLN HB3 . . 3.620 3.576 3.168 3.744 0.124 20 0 "[ . 1 . 2]" 1
28 1 2 GLN H 1 2 GLN QG . . 4.190 3.607 3.093 4.138 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLN H 1 3 CYS H . . 4.650 4.435 4.426 4.460 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLN H 1 3 CYS HA . . 4.980 4.874 4.855 4.921 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLN H 1 13 CYS H . . 4.550 4.289 4.209 4.426 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLN H 1 54 ASP HA . . 2.950 2.393 2.300 2.528 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLN H 1 55 LEU H . . 3.660 2.998 2.930 3.082 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLN H 1 55 LEU HA . . 5.500 5.105 5.024 5.197 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLN H 1 55 LEU HG . . 4.990 4.635 4.258 4.885 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLN H 1 56 CYS H . . 5.500 5.524 5.466 5.547 0.047 11 0 "[ . 1 . 2]" 1
37 1 2 GLN HA 1 2 GLN HE21 . . 5.190 4.243 4.065 4.584 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLN HA 1 2 GLN HE22 . . 5.500 5.489 5.263 5.548 0.048 16 0 "[ . 1 . 2]" 1
39 1 2 GLN HA 1 2 GLN QG . . 3.790 2.185 2.048 2.360 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLN HA 1 3 CYS H . . 2.670 2.278 2.267 2.299 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLN HA 1 11 GLU H . . 5.060 4.862 4.576 5.021 . 0 0 "[ . 1 . 2]" 1
42 1 2 GLN HA 1 12 GLU H . . 5.380 4.959 4.804 5.045 . 0 0 "[ . 1 . 2]" 1
43 1 2 GLN HA 1 12 GLU HA . . 3.350 2.465 2.410 2.559 . 0 0 "[ . 1 . 2]" 1
44 1 2 GLN HA 1 13 CYS H . . 3.140 2.072 1.947 2.203 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLN HB2 1 2 GLN HE21 . . 4.160 3.094 2.317 3.615 . 0 0 "[ . 1 . 2]" 1
46 1 2 GLN HB2 1 2 GLN HE22 . . 4.430 4.102 3.376 4.314 . 0 0 "[ . 1 . 2]" 1
47 1 2 GLN HB2 1 3 CYS H . . 4.460 4.121 3.951 4.212 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLN HB2 1 10 THR HB . . 5.500 5.328 5.053 5.515 0.015 13 0 "[ . 1 . 2]" 1
49 1 2 GLN HB2 1 13 CYS H . . 5.120 4.850 4.603 4.984 . 0 0 "[ . 1 . 2]" 1
50 1 2 GLN HB2 1 54 ASP QB . . 4.730 1.963 1.940 2.010 . 0 0 "[ . 1 . 2]" 1
51 1 2 GLN HB2 1 55 LEU H . . 4.800 3.277 3.061 3.718 . 0 0 "[ . 1 . 2]" 1
52 1 2 GLN HB2 1 55 LEU MD2 . . 4.620 3.193 2.694 3.565 . 0 0 "[ . 1 . 2]" 1
53 1 2 GLN HB3 1 2 GLN HE21 . . 3.980 2.183 1.945 2.453 . 0 0 "[ . 1 . 2]" 1
54 1 2 GLN HB3 1 2 GLN HE22 . . 4.320 3.483 3.312 4.035 . 0 0 "[ . 1 . 2]" 1
55 1 2 GLN HB3 1 3 CYS H . . 3.400 2.902 2.759 3.349 . 0 0 "[ . 1 . 2]" 1
56 1 2 GLN HB3 1 55 LEU MD2 . . 4.460 2.029 1.961 2.201 . 0 0 "[ . 1 . 2]" 1
57 1 2 GLN HE21 1 2 GLN QG . . 2.890 2.554 2.403 2.666 . 0 0 "[ . 1 . 2]" 1
58 1 2 GLN HE21 1 10 THR HB . . 4.520 2.596 1.944 4.463 . 0 0 "[ . 1 . 2]" 1
59 1 2 GLN HE21 1 10 THR MG . . 4.190 3.181 2.531 4.176 . 0 0 "[ . 1 . 2]" 1
60 1 2 GLN HE21 1 12 GLU HA . . 5.500 4.717 4.073 5.505 0.005 13 0 "[ . 1 . 2]" 1
61 1 2 GLN HE21 1 55 LEU MD1 . . 4.040 2.918 2.214 3.333 . 0 0 "[ . 1 . 2]" 1
62 1 2 GLN HE21 1 55 LEU MD2 . . 4.440 2.274 1.922 3.157 . 0 0 "[ . 1 . 2]" 1
63 1 2 GLN HE21 1 55 LEU HG . . 4.890 3.192 2.403 3.740 . 0 0 "[ . 1 . 2]" 1
64 1 2 GLN HE22 1 2 GLN QG . . 3.510 3.407 3.358 3.443 . 0 0 "[ . 1 . 2]" 1
65 1 2 GLN HE22 1 10 THR HB . . 5.490 2.778 1.949 4.923 . 0 0 "[ . 1 . 2]" 1
66 1 2 GLN HE22 1 10 THR MG . . 4.870 3.142 2.571 4.832 . 0 0 "[ . 1 . 2]" 1
67 1 2 GLN HE22 1 54 ASP QB . . 5.160 5.050 4.022 5.182 0.022 16 0 "[ . 1 . 2]" 1
68 1 2 GLN HE22 1 55 LEU MD1 . . 4.020 2.872 2.475 3.570 . 0 0 "[ . 1 . 2]" 1
69 1 2 GLN HE22 1 55 LEU MD2 . . 4.470 3.180 2.668 4.361 . 0 0 "[ . 1 . 2]" 1
70 1 2 GLN HE22 1 55 LEU HG . . 5.090 3.990 3.795 4.181 . 0 0 "[ . 1 . 2]" 1
71 1 2 GLN QG 1 3 CYS H . . 3.950 3.308 2.638 3.796 . 0 0 "[ . 1 . 2]" 1
72 1 2 GLN QG 1 12 GLU H . . 5.210 4.122 3.892 4.492 . 0 0 "[ . 1 . 2]" 1
73 1 2 GLN QG 1 12 GLU HA . . 3.780 2.043 1.969 2.204 . 0 0 "[ . 1 . 2]" 1
74 1 2 GLN QG 1 13 CYS H . . 4.010 3.250 3.019 3.468 . 0 0 "[ . 1 . 2]" 1
75 1 2 GLN QG 1 55 LEU H . . 4.970 4.887 4.362 4.975 0.005 2 0 "[ . 1 . 2]" 1
76 1 2 GLN QG 1 55 LEU MD2 . . 3.970 3.560 1.962 3.839 . 0 0 "[ . 1 . 2]" 1
77 1 2 GLN O 1 55 LEU H . . 2.000 1.809 1.788 1.871 . 0 0 "[ . 1 . 2]" 1
78 1 2 GLN O 1 55 LEU N . . 3.000 2.754 2.729 2.818 . 0 0 "[ . 1 . 2]" 1
79 1 3 CYS CB 1 13 CYS SG . . 3.100 2.964 2.815 3.099 . 0 0 "[ . 1 . 2]" 1
80 1 3 CYS H 1 3 CYS HB2 . . 3.210 2.902 2.874 2.925 . 0 0 "[ . 1 . 2]" 1
81 1 3 CYS H 1 3 CYS HB3 . . 3.980 3.883 3.867 3.899 . 0 0 "[ . 1 . 2]" 1
82 1 3 CYS H 1 10 THR HB . . 4.740 4.693 4.470 4.755 0.015 19 0 "[ . 1 . 2]" 1
83 1 3 CYS H 1 10 THR MG . . 5.070 4.798 4.526 5.006 . 0 0 "[ . 1 . 2]" 1
84 1 3 CYS H 1 11 GLU HA . . 5.500 4.787 4.678 4.849 . 0 0 "[ . 1 . 2]" 1
85 1 3 CYS H 1 12 GLU H . . 5.020 4.860 4.845 4.881 . 0 0 "[ . 1 . 2]" 1
86 1 3 CYS H 1 12 GLU HA . . 3.800 3.597 3.472 3.746 . 0 0 "[ . 1 . 2]" 1
87 1 3 CYS H 1 55 LEU H . . 5.500 4.487 4.356 4.598 . 0 0 "[ . 1 . 2]" 1
88 1 3 CYS H 1 55 LEU MD1 . . 5.500 5.457 5.298 5.518 0.018 19 0 "[ . 1 . 2]" 1
89 1 3 CYS H 1 55 LEU MD2 . . 3.870 3.009 2.863 3.158 . 0 0 "[ . 1 . 2]" 1
90 1 3 CYS HA 1 4 ASN H . . 2.860 2.264 2.228 2.310 . 0 0 "[ . 1 . 2]" 1
91 1 3 CYS HA 1 55 LEU H . . 3.410 3.336 3.254 3.411 0.001 20 0 "[ . 1 . 2]" 1
92 1 3 CYS HA 1 55 LEU HA . . 3.280 2.737 2.637 2.915 . 0 0 "[ . 1 . 2]" 1
93 1 3 CYS HA 1 55 LEU MD2 . . 4.300 2.696 2.570 2.783 . 0 0 "[ . 1 . 2]" 1
94 1 3 CYS HA 1 56 CYS H . . 4.510 3.720 3.480 4.107 . 0 0 "[ . 1 . 2]" 1
95 1 3 CYS HA 1 57 ASN H . . 5.500 3.870 3.665 4.239 . 0 0 "[ . 1 . 2]" 1
96 1 3 CYS HA 1 57 ASN QD . . 4.270 4.157 3.837 4.275 0.005 6 0 "[ . 1 . 2]" 1
97 1 3 CYS HB2 1 4 ASN H . . 3.810 3.699 3.607 3.776 . 0 0 "[ . 1 . 2]" 1
98 1 3 CYS HB2 1 11 GLU H . . 4.340 4.296 4.158 4.344 0.004 7 0 "[ . 1 . 2]" 1
99 1 3 CYS HB2 1 57 ASN QD . . 4.460 3.978 3.794 4.192 . 0 0 "[ . 1 . 2]" 1
100 1 3 CYS HB3 1 4 ASN H . . 3.250 2.860 2.723 2.979 . 0 0 "[ . 1 . 2]" 1
101 1 3 CYS HB3 1 11 GLU H . . 5.500 5.453 5.340 5.509 0.009 11 0 "[ . 1 . 2]" 1
102 1 3 CYS HB3 1 32 LYS HB3 . . 5.500 5.326 5.066 5.520 0.020 16 0 "[ . 1 . 2]" 1
103 1 3 CYS HB3 1 55 LEU H . . 5.500 5.521 5.469 5.566 0.066 20 0 "[ . 1 . 2]" 1
104 1 3 CYS HB3 1 57 ASN QD . . 3.630 2.762 2.531 2.968 . 0 0 "[ . 1 . 2]" 1
105 1 3 CYS SG 1 13 CYS CB . . 3.100 3.122 3.097 3.143 0.043 9 0 "[ . 1 . 2]" 1
106 1 3 CYS SG 1 13 CYS SG . . 2.100 1.891 1.503 2.113 0.013 17 0 "[ . 1 . 2]" 1
107 1 4 ASN H 1 4 ASN HB2 . . 3.060 2.414 2.360 2.530 . 0 0 "[ . 1 . 2]" 1
108 1 4 ASN H 1 4 ASN HB3 . . 3.670 3.599 3.581 3.630 . 0 0 "[ . 1 . 2]" 1
109 1 4 ASN H 1 4 ASN HD21 . . 3.940 1.904 1.888 1.980 . 0 0 "[ . 1 . 2]" 1
110 1 4 ASN H 1 4 ASN HD22 . . 4.120 3.444 3.272 3.543 . 0 0 "[ . 1 . 2]" 1
111 1 4 ASN H 1 5 THR H . . 4.780 4.606 4.591 4.617 . 0 0 "[ . 1 . 2]" 1
112 1 4 ASN H 1 10 THR MG . . 4.950 4.649 4.325 4.899 . 0 0 "[ . 1 . 2]" 1
113 1 4 ASN H 1 32 LYS HB3 . . 5.150 4.697 4.472 4.869 . 0 0 "[ . 1 . 2]" 1
114 1 4 ASN H 1 55 LEU H . . 5.040 5.032 4.985 5.067 0.027 10 0 "[ . 1 . 2]" 1
115 1 4 ASN H 1 55 LEU HA . . 3.440 3.377 3.281 3.454 0.014 4 0 "[ . 1 . 2]" 1
116 1 4 ASN H 1 55 LEU HB3 . . 5.200 4.852 4.615 4.986 . 0 0 "[ . 1 . 2]" 1
117 1 4 ASN H 1 55 LEU MD1 . . 5.500 5.486 5.336 5.521 0.021 17 0 "[ . 1 . 2]" 1
118 1 4 ASN H 1 55 LEU MD2 . . 3.500 3.211 2.982 3.340 . 0 0 "[ . 1 . 2]" 1
119 1 4 ASN H 1 56 CYS H . . 5.500 4.535 4.290 4.821 . 0 0 "[ . 1 . 2]" 1
120 1 4 ASN H 1 57 ASN H . . 4.160 3.635 3.328 4.040 . 0 0 "[ . 1 . 2]" 1
121 1 4 ASN H 1 57 ASN QD . . 3.270 3.006 2.782 3.212 . 0 0 "[ . 1 . 2]" 1
122 1 4 ASN HA 1 5 THR H . . 2.470 2.383 2.316 2.454 . 0 0 "[ . 1 . 2]" 1
123 1 4 ASN HA 1 11 GLU H . . 3.860 3.418 3.275 3.548 . 0 0 "[ . 1 . 2]" 1
124 1 4 ASN HB2 1 4 ASN HD21 . . 3.190 2.370 2.320 2.423 . 0 0 "[ . 1 . 2]" 1
125 1 4 ASN HB2 1 4 ASN HD22 . . 3.700 3.535 3.514 3.556 . 0 0 "[ . 1 . 2]" 1
126 1 4 ASN HB2 1 5 THR H . . 3.970 3.701 3.559 3.877 . 0 0 "[ . 1 . 2]" 1
127 1 4 ASN HB2 1 57 ASN H . . 4.830 4.429 4.074 4.794 . 0 0 "[ . 1 . 2]" 1
128 1 4 ASN HB2 1 57 ASN QD . . 4.230 3.378 3.145 3.640 . 0 0 "[ . 1 . 2]" 1
129 1 4 ASN HB3 1 5 THR H . . 3.060 2.485 2.314 2.652 . 0 0 "[ . 1 . 2]" 1
130 1 4 ASN HD21 1 55 LEU H . . 5.500 4.771 4.659 4.927 . 0 0 "[ . 1 . 2]" 1
131 1 4 ASN HD21 1 55 LEU HA . . 4.230 2.613 2.489 2.763 . 0 0 "[ . 1 . 2]" 1
132 1 4 ASN HD21 1 55 LEU HB2 . . 5.090 4.914 4.814 5.050 . 0 0 "[ . 1 . 2]" 1
133 1 4 ASN HD21 1 55 LEU HB3 . . 3.650 3.499 3.405 3.586 . 0 0 "[ . 1 . 2]" 1
134 1 4 ASN HD21 1 55 LEU MD1 . . 5.140 4.793 4.597 5.061 . 0 0 "[ . 1 . 2]" 1
135 1 4 ASN HD21 1 55 LEU MD2 . . 4.500 3.047 2.811 3.259 . 0 0 "[ . 1 . 2]" 1
136 1 4 ASN HD21 1 55 LEU HG . . 5.500 5.392 5.206 5.502 0.002 8 0 "[ . 1 . 2]" 1
137 1 4 ASN HD21 1 56 CYS H . . 4.970 3.737 3.500 3.951 . 0 0 "[ . 1 . 2]" 1
138 1 4 ASN HD21 1 57 ASN H . . 3.800 2.748 2.486 3.005 . 0 0 "[ . 1 . 2]" 1
139 1 4 ASN HD21 1 57 ASN QD . . 5.220 4.060 3.795 4.322 . 0 0 "[ . 1 . 2]" 1
140 1 4 ASN HD22 1 10 THR MG . . 5.340 4.151 3.819 4.393 . 0 0 "[ . 1 . 2]" 1
141 1 4 ASN HD22 1 55 LEU H . . 5.500 4.710 4.509 4.806 . 0 0 "[ . 1 . 2]" 1
142 1 4 ASN HD22 1 55 LEU HA . . 2.550 2.481 2.265 2.575 0.025 19 0 "[ . 1 . 2]" 1
143 1 4 ASN HD22 1 55 LEU HB2 . . 3.710 3.634 3.506 3.714 0.004 10 0 "[ . 1 . 2]" 1
144 1 4 ASN HD22 1 55 LEU HB3 . . 3.310 2.042 1.946 2.143 . 0 0 "[ . 1 . 2]" 1
145 1 4 ASN HD22 1 55 LEU MD1 . . 4.380 3.704 3.445 4.084 . 0 0 "[ . 1 . 2]" 1
146 1 4 ASN HD22 1 55 LEU MD2 . . 4.140 2.697 2.319 2.984 . 0 0 "[ . 1 . 2]" 1
147 1 4 ASN HD22 1 55 LEU HG . . 5.500 4.603 4.295 4.807 . 0 0 "[ . 1 . 2]" 1
148 1 4 ASN HD22 1 56 CYS H . . 5.500 3.984 3.764 4.196 . 0 0 "[ . 1 . 2]" 1
149 1 4 ASN HD22 1 57 ASN H . . 4.000 3.576 3.406 3.783 . 0 0 "[ . 1 . 2]" 1
150 1 4 ASN HD22 1 57 ASN HA . . 5.500 5.287 5.026 5.538 0.038 20 0 "[ . 1 . 2]" 1
151 1 5 THR H 1 5 THR HB . . 3.830 3.749 3.290 3.852 0.022 12 0 "[ . 1 . 2]" 1
152 1 5 THR H 1 6 LEU H . . 5.060 4.479 4.463 4.495 . 0 0 "[ . 1 . 2]" 1
153 1 5 THR H 1 7 ASP H . . 5.120 4.730 4.632 4.805 . 0 0 "[ . 1 . 2]" 1
154 1 5 THR H 1 9 GLY H . . 4.250 4.008 3.825 4.105 . 0 0 "[ . 1 . 2]" 1
155 1 5 THR H 1 9 GLY QA . . 5.120 4.425 4.342 4.490 . 0 0 "[ . 1 . 2]" 1
156 1 5 THR H 1 10 THR H . . 5.220 5.212 5.156 5.240 0.020 11 0 "[ . 1 . 2]" 1
157 1 5 THR H 1 10 THR HA . . 3.650 3.474 3.310 3.585 . 0 0 "[ . 1 . 2]" 1
158 1 5 THR H 1 10 THR MG . . 4.300 4.210 4.009 4.325 0.025 19 0 "[ . 1 . 2]" 1
159 1 5 THR H 1 11 GLU H . . 4.850 4.732 4.605 4.861 0.011 3 0 "[ . 1 . 2]" 1
160 1 5 THR H 1 11 GLU QG . . 4.750 4.394 4.029 4.672 . 0 0 "[ . 1 . 2]" 1
161 1 5 THR H 1 32 LYS HB2 . . 5.070 4.211 3.998 4.380 . 0 0 "[ . 1 . 2]" 1
162 1 5 THR H 1 32 LYS HB3 . . 5.200 5.211 5.150 5.245 0.045 19 0 "[ . 1 . 2]" 1
163 1 5 THR H 1 55 LEU MD2 . . 4.940 4.886 4.764 4.968 0.028 17 0 "[ . 1 . 2]" 1
164 1 5 THR HA 1 6 LEU H . . 3.060 2.357 2.303 2.430 . 0 0 "[ . 1 . 2]" 1
165 1 5 THR HA 1 7 ASP H . . 4.280 4.013 3.919 4.123 . 0 0 "[ . 1 . 2]" 1
166 1 5 THR HA 1 8 GLY H . . 5.500 4.751 4.688 4.810 . 0 0 "[ . 1 . 2]" 1
167 1 5 THR HA 1 9 GLY H . . 5.500 5.453 5.344 5.510 0.010 8 0 "[ . 1 . 2]" 1
168 1 5 THR HB 1 6 LEU H . . 2.790 2.583 2.423 2.800 0.010 13 0 "[ . 1 . 2]" 1
169 1 5 THR HB 1 7 ASP H . . 2.740 2.575 2.114 2.742 0.002 19 0 "[ . 1 . 2]" 1
170 1 5 THR HB 1 9 GLY H . . 4.780 4.087 3.190 4.313 . 0 0 "[ . 1 . 2]" 1
171 1 5 THR MG 1 6 LEU H . . 5.500 3.614 2.463 3.951 . 0 0 "[ . 1 . 2]" 1
172 1 5 THR MG 1 9 GLY QA . . 4.940 4.009 3.485 4.926 . 0 0 "[ . 1 . 2]" 1
173 1 6 LEU H 1 6 LEU HB2 . . 3.650 3.561 3.549 3.585 . 0 0 "[ . 1 . 2]" 1
174 1 6 LEU H 1 6 LEU HB3 . . 2.900 2.342 2.300 2.471 . 0 0 "[ . 1 . 2]" 1
175 1 6 LEU H 1 6 LEU QD . . 3.750 2.417 1.873 3.096 . 0 0 "[ . 1 . 2]" 1
176 1 6 LEU H 1 6 LEU HG . . 3.720 3.122 2.587 3.710 . 0 0 "[ . 1 . 2]" 1
177 1 6 LEU H 1 7 ASP H . . 3.140 2.572 2.565 2.610 . 0 0 "[ . 1 . 2]" 1
178 1 6 LEU H 1 8 GLY H . . 4.860 4.101 4.036 4.166 . 0 0 "[ . 1 . 2]" 1
179 1 6 LEU H 1 32 LYS H . . 3.910 3.164 2.973 3.329 . 0 0 "[ . 1 . 2]" 1
180 1 6 LEU H 1 32 LYS HB2 . . 3.590 3.436 3.295 3.600 0.010 9 0 "[ . 1 . 2]" 1
181 1 6 LEU HA 1 6 LEU QD . . 3.640 3.348 3.267 3.439 . 0 0 "[ . 1 . 2]" 1
182 1 6 LEU HA 1 6 LEU HG . . 3.950 3.671 3.642 3.686 . 0 0 "[ . 1 . 2]" 1
183 1 6 LEU HA 1 7 ASP H . . 3.500 3.439 3.416 3.461 . 0 0 "[ . 1 . 2]" 1
184 1 6 LEU HA 1 8 GLY H . . 3.910 3.466 3.426 3.515 . 0 0 "[ . 1 . 2]" 1
185 1 6 LEU HA 1 32 LYS HB2 . . 4.160 3.529 3.352 3.753 . 0 0 "[ . 1 . 2]" 1
186 1 6 LEU HB2 1 7 ASP H . . 4.640 4.175 4.069 4.236 . 0 0 "[ . 1 . 2]" 1
187 1 6 LEU HB2 1 8 GLY H . . 5.250 5.135 5.067 5.166 . 0 0 "[ . 1 . 2]" 1
188 1 6 LEU HB2 1 32 LYS H . . 4.870 2.947 2.664 3.360 . 0 0 "[ . 1 . 2]" 1
189 1 6 LEU HB3 1 7 ASP H . . 4.250 3.959 3.899 4.077 . 0 0 "[ . 1 . 2]" 1
190 1 6 LEU HB3 1 8 GLY H . . 5.440 5.332 5.315 5.358 . 0 0 "[ . 1 . 2]" 1
191 1 6 LEU HB3 1 32 LYS H . . 4.400 1.948 1.936 1.999 . 0 0 "[ . 1 . 2]" 1
192 1 6 LEU QD 1 7 ASP H . . 3.480 2.613 1.921 3.211 . 0 0 "[ . 1 . 2]" 1
193 1 6 LEU QD 1 8 GLY H . . 5.050 4.295 4.086 4.680 . 0 0 "[ . 1 . 2]" 1
194 1 6 LEU QD 1 32 LYS H . . 4.600 3.322 3.019 3.474 . 0 0 "[ . 1 . 2]" 1
195 1 6 LEU HG 1 7 ASP H . . 4.070 2.661 2.292 3.134 . 0 0 "[ . 1 . 2]" 1
196 1 6 LEU HG 1 32 LYS H . . 5.040 4.691 4.453 4.955 . 0 0 "[ . 1 . 2]" 1
197 1 7 ASP H 1 7 ASP HB2 . . 3.270 2.410 2.206 2.608 . 0 0 "[ . 1 . 2]" 1
198 1 7 ASP H 1 7 ASP QB . . 2.810 2.250 2.154 2.298 . 0 0 "[ . 1 . 2]" 1
199 1 7 ASP H 1 7 ASP HB3 . . 3.270 2.740 2.516 3.033 . 0 0 "[ . 1 . 2]" 1
200 1 7 ASP H 1 8 GLY H . . 3.020 2.531 2.525 2.544 . 0 0 "[ . 1 . 2]" 1
201 1 7 ASP H 1 8 GLY HA2 . . 5.490 4.882 4.845 4.897 . 0 0 "[ . 1 . 2]" 1
202 1 7 ASP H 1 8 GLY QA . . 4.690 4.463 4.430 4.472 . 0 0 "[ . 1 . 2]" 1
203 1 7 ASP H 1 8 GLY HA3 . . 5.490 5.165 5.128 5.174 . 0 0 "[ . 1 . 2]" 1
204 1 7 ASP H 1 9 GLY H . . 3.720 3.608 3.452 3.644 . 0 0 "[ . 1 . 2]" 1
205 1 7 ASP H 1 32 LYS H . . 5.360 5.218 5.011 5.368 0.008 1 0 "[ . 1 . 2]" 1
206 1 7 ASP H 1 32 LYS HB2 . . 5.500 5.452 5.350 5.533 0.033 4 0 "[ . 1 . 2]" 1
207 1 7 ASP HA 1 8 GLY H . . 3.320 3.296 3.210 3.310 . 0 0 "[ . 1 . 2]" 1
208 1 7 ASP HA 1 9 GLY H . . 5.290 4.369 4.282 4.412 . 0 0 "[ . 1 . 2]" 1
209 1 7 ASP QB 1 8 GLY H . . 4.040 3.335 3.310 3.479 . 0 0 "[ . 1 . 2]" 1
210 1 7 ASP QB 1 9 GLY H . . 4.920 2.649 2.598 2.710 . 0 0 "[ . 1 . 2]" 1
211 1 7 ASP HB2 1 8 GLY H . . 4.880 4.172 3.981 4.302 . 0 0 "[ . 1 . 2]" 1
212 1 7 ASP HB3 1 8 GLY H . . 4.880 3.511 3.454 3.696 . 0 0 "[ . 1 . 2]" 1
213 1 8 GLY H 1 8 GLY HA2 . . 2.930 2.355 2.335 2.367 . 0 0 "[ . 1 . 2]" 1
214 1 8 GLY H 1 8 GLY QA . . 2.480 2.262 2.244 2.272 . 0 0 "[ . 1 . 2]" 1
215 1 8 GLY H 1 8 GLY HA3 . . 2.930 2.920 2.903 2.928 . 0 0 "[ . 1 . 2]" 1
216 1 8 GLY H 1 9 GLY H . . 2.770 2.534 2.497 2.623 . 0 0 "[ . 1 . 2]" 1
217 1 8 GLY H 1 9 GLY QA . . 4.920 4.423 4.398 4.491 . 0 0 "[ . 1 . 2]" 1
218 1 8 GLY QA 1 9 GLY H . . 3.100 2.915 2.913 2.920 . 0 0 "[ . 1 . 2]" 1
219 1 9 GLY H 1 9 GLY QA . . 2.570 2.257 2.239 2.273 . 0 0 "[ . 1 . 2]" 1
220 1 9 GLY H 1 10 THR H . . 4.550 4.516 4.504 4.530 . 0 0 "[ . 1 . 2]" 1
221 1 9 GLY H 1 10 THR HA . . 5.500 5.266 5.208 5.322 . 0 0 "[ . 1 . 2]" 1
222 1 9 GLY H 1 10 THR MG . . 5.500 5.508 5.406 5.527 0.027 11 0 "[ . 1 . 2]" 1
223 1 9 GLY HA2 1 10 THR H . . 2.700 2.548 2.528 2.552 . 0 0 "[ . 1 . 2]" 1
224 1 9 GLY HA3 1 10 THR H . . 2.700 2.576 2.571 2.596 . 0 0 "[ . 1 . 2]" 1
225 1 10 THR H 1 10 THR HB . . 3.680 3.630 3.597 3.657 . 0 0 "[ . 1 . 2]" 1
226 1 10 THR H 1 10 THR MG . . 3.400 3.149 3.024 3.285 . 0 0 "[ . 1 . 2]" 1
227 1 10 THR H 1 11 GLU H . . 4.580 4.500 4.484 4.512 . 0 0 "[ . 1 . 2]" 1
228 1 10 THR H 1 55 LEU MD2 . . 5.410 5.191 5.082 5.403 . 0 0 "[ . 1 . 2]" 1
229 1 10 THR HA 1 10 THR MG . . 3.570 2.176 2.116 2.234 . 0 0 "[ . 1 . 2]" 1
230 1 10 THR HA 1 11 GLU H . . 2.440 2.238 2.235 2.260 . 0 0 "[ . 1 . 2]" 1
231 1 10 THR HA 1 55 LEU MD2 . . 4.830 3.256 3.120 3.481 . 0 0 "[ . 1 . 2]" 1
232 1 10 THR HB 1 11 GLU H . . 2.920 2.900 2.837 2.931 0.011 3 0 "[ . 1 . 2]" 1
233 1 10 THR HB 1 55 LEU MD2 . . 4.010 2.542 2.385 2.917 . 0 0 "[ . 1 . 2]" 1
234 1 10 THR MG 1 11 GLU H . . 3.750 3.427 3.313 3.526 . 0 0 "[ . 1 . 2]" 1
235 1 10 THR MG 1 55 LEU H . . 5.490 5.508 5.495 5.529 0.039 9 0 "[ . 1 . 2]" 1
236 1 10 THR MG 1 55 LEU MD1 . . 4.170 1.905 1.813 2.146 . 0 0 "[ . 1 . 2]" 1
237 1 10 THR MG 1 55 LEU MD2 . . 3.410 1.834 1.788 1.880 . 0 0 "[ . 1 . 2]" 1
238 1 11 GLU H 1 11 GLU HB2 . . 3.920 3.668 2.815 3.836 . 0 0 "[ . 1 . 2]" 1
239 1 11 GLU H 1 11 GLU QB . . 3.180 2.962 2.747 3.072 . 0 0 "[ . 1 . 2]" 1
240 1 11 GLU H 1 11 GLU HB3 . . 3.920 3.240 3.075 3.857 . 0 0 "[ . 1 . 2]" 1
241 1 11 GLU H 1 11 GLU HG2 . . 3.290 2.659 2.357 3.225 . 0 0 "[ . 1 . 2]" 1
242 1 11 GLU H 1 11 GLU QG . . 2.780 2.432 2.236 2.793 0.013 8 0 "[ . 1 . 2]" 1
243 1 11 GLU H 1 11 GLU HG3 . . 3.290 2.834 2.691 3.078 . 0 0 "[ . 1 . 2]" 1
244 1 11 GLU H 1 12 GLU H . . 4.570 4.438 4.421 4.457 . 0 0 "[ . 1 . 2]" 1
245 1 11 GLU H 1 12 GLU HA . . 5.090 4.883 4.846 4.927 . 0 0 "[ . 1 . 2]" 1
246 1 11 GLU H 1 55 LEU MD2 . . 3.750 3.304 3.150 3.545 . 0 0 "[ . 1 . 2]" 1
247 1 11 GLU HA 1 12 GLU H . . 2.400 2.253 2.250 2.257 . 0 0 "[ . 1 . 2]" 1
248 1 11 GLU QB 1 12 GLU H . . 2.900 2.781 2.771 2.795 . 0 0 "[ . 1 . 2]" 1
249 1 12 GLU H 1 12 GLU QB . . 2.890 2.640 2.446 2.775 . 0 0 "[ . 1 . 2]" 1
250 1 12 GLU H 1 12 GLU QG . . 2.610 2.111 1.896 2.598 . 0 0 "[ . 1 . 2]" 1
251 1 12 GLU HA 1 13 CYS H . . 2.580 2.142 2.138 2.151 . 0 0 "[ . 1 . 2]" 1
252 1 12 GLU HB2 1 13 CYS H . . 4.340 3.777 3.372 4.339 . 0 0 "[ . 1 . 2]" 1
253 1 12 GLU HB3 1 13 CYS H . . 4.340 4.039 3.524 4.341 0.001 2 0 "[ . 1 . 2]" 1
254 1 12 GLU QG 1 13 CYS H . . 4.380 4.300 4.188 4.427 0.047 18 0 "[ . 1 . 2]" 1
255 1 13 CYS H 1 13 CYS HB2 . . 3.110 2.444 2.309 2.555 . 0 0 "[ . 1 . 2]" 1
256 1 13 CYS H 1 13 CYS HB3 . . 3.650 3.633 3.574 3.664 0.014 1 0 "[ . 1 . 2]" 1
257 1 13 CYS H 1 14 ILE H . . 5.070 4.388 4.283 4.546 . 0 0 "[ . 1 . 2]" 1
258 1 13 CYS HB3 1 18 TYR QD . . 4.410 3.097 2.539 3.823 . 0 0 "[ . 1 . 2]" 1
259 1 14 ILE H 1 14 ILE HG12 . . 3.940 2.562 1.938 3.459 . 0 0 "[ . 1 . 2]" 1
260 1 14 ILE H 1 14 ILE QG . . 3.420 1.971 1.903 2.202 . 0 0 "[ . 1 . 2]" 1
261 1 14 ILE H 1 14 ILE HG13 . . 3.940 2.589 1.928 3.608 . 0 0 "[ . 1 . 2]" 1
262 1 14 ILE H 1 18 TYR QD . . 3.770 2.571 1.942 3.540 . 0 0 "[ . 1 . 2]" 1
263 1 14 ILE HA 1 14 ILE QG . . 3.510 3.031 2.433 3.409 . 0 0 "[ . 1 . 2]" 1
264 1 14 ILE HA 1 14 ILE MG . . 3.660 2.280 2.185 2.399 . 0 0 "[ . 1 . 2]" 1
265 1 14 ILE HA 1 15 PRO QD . . 3.130 1.981 1.885 2.014 . 0 0 "[ . 1 . 2]" 1
266 1 14 ILE MD 1 17 ILE MD . . 4.520 2.392 1.827 4.522 0.002 15 0 "[ . 1 . 2]" 1
267 1 14 ILE MD 1 18 TYR QE . . 4.160 3.871 2.537 4.190 0.030 17 0 "[ . 1 . 2]" 1
268 1 14 ILE QG 1 18 TYR QD . . 4.130 3.301 2.508 4.002 . 0 0 "[ . 1 . 2]" 1
269 1 14 ILE QG 1 18 TYR QE . . 4.120 3.616 2.873 4.129 0.009 16 0 "[ . 1 . 2]" 1
270 1 14 ILE MG 1 15 PRO HD2 . . 4.180 2.708 1.893 3.242 . 0 0 "[ . 1 . 2]" 1
271 1 14 ILE MG 1 15 PRO QD . . 3.510 2.621 1.881 3.101 . 0 0 "[ . 1 . 2]" 1
272 1 14 ILE MG 1 15 PRO HD3 . . 4.180 3.673 3.261 3.951 . 0 0 "[ . 1 . 2]" 1
273 1 14 ILE MG 1 18 TYR QE . . 5.340 5.000 4.563 5.362 0.022 10 0 "[ . 1 . 2]" 1
274 1 17 ILE H 1 17 ILE HB . . 3.640 2.730 2.531 3.608 . 0 0 "[ . 1 . 2]" 1
275 1 17 ILE H 1 17 ILE MD . . 4.950 3.574 1.926 4.270 . 0 0 "[ . 1 . 2]" 1
276 1 17 ILE H 1 17 ILE HG12 . . 3.940 3.427 1.940 3.957 0.017 2 0 "[ . 1 . 2]" 1
277 1 17 ILE H 1 17 ILE HG13 . . 3.940 2.669 1.993 3.709 . 0 0 "[ . 1 . 2]" 1
278 1 17 ILE HA 1 17 ILE MD . . 3.980 3.648 2.109 4.176 0.196 7 0 "[ . 1 . 2]" 1
279 1 17 ILE HB 1 18 TYR QD . . 3.890 3.611 3.453 3.816 . 0 0 "[ . 1 . 2]" 1
280 1 17 ILE HB 1 18 TYR QE . . 4.290 3.784 3.344 4.249 . 0 0 "[ . 1 . 2]" 1
281 1 17 ILE MD 1 17 ILE MG . . 3.470 2.208 1.876 3.104 . 0 0 "[ . 1 . 2]" 1
282 1 17 ILE MD 1 18 TYR QD . . 4.970 4.573 3.424 5.032 0.062 15 0 "[ . 1 . 2]" 1
283 1 17 ILE MD 1 18 TYR QE . . 4.470 4.020 2.461 4.676 0.206 15 0 "[ . 1 . 2]" 1
284 1 17 ILE MG 1 18 TYR QE . . 4.790 2.631 2.067 4.459 . 0 0 "[ . 1 . 2]" 1
285 1 18 TYR HA 1 20 VAL H . . 3.510 3.346 3.239 3.406 . 0 0 "[ . 1 . 2]" 1
286 1 18 TYR HA 1 35 GLY H . . 4.930 4.796 4.399 4.953 0.023 11 0 "[ . 1 . 2]" 1
287 1 18 TYR HB3 1 20 VAL H . . 4.220 3.930 3.720 4.235 0.015 15 0 "[ . 1 . 2]" 1
288 1 18 TYR HB3 1 20 VAL MG2 . . 4.840 4.449 4.208 4.726 . 0 0 "[ . 1 . 2]" 1
289 1 18 TYR HB3 1 35 GLY H . . 5.030 4.765 4.518 5.041 0.011 8 0 "[ . 1 . 2]" 1
290 1 18 TYR QD 1 20 VAL H . . 5.090 4.999 4.883 5.133 0.043 18 0 "[ . 1 . 2]" 1
291 1 18 TYR QD 1 35 GLY H . . 4.780 4.697 4.655 4.862 0.082 15 0 "[ . 1 . 2]" 1
292 1 18 TYR QD 1 35 GLY HA2 . . 4.320 2.359 2.087 2.572 . 0 0 "[ . 1 . 2]" 1
293 1 18 TYR QD 1 35 GLY HA3 . . 4.730 2.216 2.048 2.426 . 0 0 "[ . 1 . 2]" 1
294 1 18 TYR QD 1 36 ILE H . . 4.640 3.854 3.599 4.020 . 0 0 "[ . 1 . 2]" 1
295 1 18 TYR QD 1 36 ILE MD . . 5.230 5.229 5.141 5.269 0.039 18 0 "[ . 1 . 2]" 1
296 1 18 TYR QD 1 36 ILE HG12 . . 4.310 4.342 4.316 4.369 0.059 15 0 "[ . 1 . 2]" 1
297 1 18 TYR QD 1 36 ILE MG . . 4.040 3.576 3.319 3.820 . 0 0 "[ . 1 . 2]" 1
298 1 18 TYR QE 1 35 GLY HA3 . . 5.500 3.485 3.246 3.716 . 0 0 "[ . 1 . 2]" 1
299 1 18 TYR QE 1 36 ILE HG12 . . 5.500 4.864 4.641 5.176 . 0 0 "[ . 1 . 2]" 1
300 1 18 TYR QE 1 36 ILE MG . . 5.150 4.495 4.081 4.879 . 0 0 "[ . 1 . 2]" 1
301 1 19 ASN H 1 20 VAL H . . 3.940 1.892 1.870 1.992 . 0 0 "[ . 1 . 2]" 1
302 1 19 ASN HA 1 19 ASN HD21 . . 4.720 4.092 3.707 4.361 . 0 0 "[ . 1 . 2]" 1
303 1 19 ASN QB 1 20 VAL H . . 3.880 3.705 3.650 3.743 . 0 0 "[ . 1 . 2]" 1
304 1 19 ASN HB2 1 20 VAL H . . 4.560 4.195 3.887 4.396 . 0 0 "[ . 1 . 2]" 1
305 1 19 ASN HB3 1 20 VAL H . . 4.560 4.181 3.980 4.435 . 0 0 "[ . 1 . 2]" 1
306 1 19 ASN HD21 1 20 VAL MG1 . . 4.760 2.984 1.904 3.792 . 0 0 "[ . 1 . 2]" 1
307 1 19 ASN HD21 1 36 ILE MG . . 4.990 3.426 2.505 4.976 . 0 0 "[ . 1 . 2]" 1
308 1 19 ASN HD21 1 37 GLN QB . . 4.480 4.028 3.055 4.501 0.021 17 0 "[ . 1 . 2]" 1
309 1 19 ASN HD22 1 20 VAL MG1 . . 4.850 2.675 2.416 3.019 . 0 0 "[ . 1 . 2]" 1
310 1 19 ASN HD22 1 36 ILE MG . . 5.500 3.522 2.993 3.951 . 0 0 "[ . 1 . 2]" 1
311 1 19 ASN HD22 1 37 GLN HB2 . . 4.310 3.054 2.868 3.527 . 0 0 "[ . 1 . 2]" 1
312 1 19 ASN HD22 1 37 GLN QB . . 3.700 2.926 2.758 3.316 . 0 0 "[ . 1 . 2]" 1
313 1 19 ASN HD22 1 37 GLN HB3 . . 4.310 3.767 3.450 4.328 0.018 17 0 "[ . 1 . 2]" 1
314 1 19 ASN HD22 1 38 GLU H . . 5.500 4.448 4.315 4.690 . 0 0 "[ . 1 . 2]" 1
315 1 20 VAL H 1 20 VAL HB . . 3.740 3.742 3.696 3.754 0.014 2 0 "[ . 1 . 2]" 1
316 1 20 VAL H 1 20 VAL MG1 . . 3.320 2.850 2.778 3.060 . 0 0 "[ . 1 . 2]" 1
317 1 20 VAL H 1 20 VAL MG2 . . 2.740 2.177 2.059 2.216 . 0 0 "[ . 1 . 2]" 1
318 1 20 VAL H 1 21 CYS H . . 4.510 4.478 4.470 4.494 . 0 0 "[ . 1 . 2]" 1
319 1 20 VAL H 1 35 GLY H . . 4.050 4.042 3.883 4.086 0.036 6 0 "[ . 1 . 2]" 1
320 1 20 VAL H 1 35 GLY HA3 . . 5.140 4.835 4.682 5.012 . 0 0 "[ . 1 . 2]" 1
321 1 20 VAL H 1 35 GLY O . . 2.000 2.001 1.947 2.037 0.037 19 0 "[ . 1 . 2]" 1
322 1 20 VAL H 1 37 GLN HA . . 5.500 5.511 5.444 5.557 0.057 13 0 "[ . 1 . 2]" 1
323 1 20 VAL HA 1 21 CYS H . . 3.000 2.506 2.457 2.524 . 0 0 "[ . 1 . 2]" 1
324 1 20 VAL HB 1 21 CYS H . . 2.980 2.156 2.109 2.259 . 0 0 "[ . 1 . 2]" 1
325 1 20 VAL HB 1 35 GLY H . . 4.350 4.288 4.118 4.335 . 0 0 "[ . 1 . 2]" 1
326 1 20 VAL HB 1 37 GLN HE21 . . 5.500 3.443 3.264 3.915 . 0 0 "[ . 1 . 2]" 1
327 1 20 VAL MG1 1 21 CYS H . . 3.720 3.516 3.353 3.573 . 0 0 "[ . 1 . 2]" 1
328 1 20 VAL MG1 1 35 GLY H . . 5.500 4.667 4.600 4.779 . 0 0 "[ . 1 . 2]" 1
329 1 20 VAL MG1 1 37 GLN HA . . 3.640 2.140 1.992 2.309 . 0 0 "[ . 1 . 2]" 1
330 1 20 VAL MG1 1 37 GLN HE21 . . 4.510 2.032 1.833 2.154 . 0 0 "[ . 1 . 2]" 1
331 1 20 VAL MG1 1 37 GLN HE22 . . 4.730 2.364 2.209 2.651 . 0 0 "[ . 1 . 2]" 1
332 1 20 VAL MG1 1 50 CYS HB2 . . 3.500 3.423 3.213 3.505 0.005 13 0 "[ . 1 . 2]" 1
333 1 20 VAL MG1 1 50 CYS HB3 . . 4.840 3.827 3.325 4.072 . 0 0 "[ . 1 . 2]" 1
334 1 20 VAL MG2 1 21 CYS H . . 3.800 3.328 3.265 3.440 . 0 0 "[ . 1 . 2]" 1
335 1 20 VAL MG2 1 22 VAL H . . 5.370 5.001 4.911 5.152 . 0 0 "[ . 1 . 2]" 1
336 1 20 VAL MG2 1 22 VAL QG . . 4.470 3.976 3.899 4.164 . 0 0 "[ . 1 . 2]" 1
337 1 20 VAL MG2 1 35 GLY H . . 3.490 1.945 1.887 2.034 . 0 0 "[ . 1 . 2]" 1
338 1 20 VAL MG2 1 35 GLY HA3 . . 4.510 3.714 3.679 3.748 . 0 0 "[ . 1 . 2]" 1
339 1 20 VAL MG2 1 36 ILE H . . 3.440 3.179 3.052 3.357 . 0 0 "[ . 1 . 2]" 1
340 1 20 VAL MG2 1 37 GLN HA . . 3.550 2.664 2.585 2.806 . 0 0 "[ . 1 . 2]" 1
341 1 20 VAL MG2 1 37 GLN HE22 . . 5.500 4.386 4.200 4.866 . 0 0 "[ . 1 . 2]" 1
342 1 20 VAL MG2 1 38 GLU H . . 5.500 4.434 4.309 4.563 . 0 0 "[ . 1 . 2]" 1
343 1 20 VAL MG2 1 39 GLU H . . 4.630 4.473 4.051 4.648 0.018 18 0 "[ . 1 . 2]" 1
344 1 20 VAL MG2 1 40 CYS H . . 5.200 3.409 3.001 3.529 . 0 0 "[ . 1 . 2]" 1
345 1 20 VAL MG2 1 48 VAL QG . . 3.830 3.223 3.004 3.670 . 0 0 "[ . 1 . 2]" 1
346 1 20 VAL MG2 1 50 CYS HB2 . . 4.890 4.658 4.494 4.784 . 0 0 "[ . 1 . 2]" 1
347 1 20 VAL N 1 35 GLY O . . 3.000 2.963 2.908 3.001 0.001 19 0 "[ . 1 . 2]" 1
348 1 21 CYS CB 1 50 CYS SG . . 3.100 3.162 3.137 3.250 0.150 17 0 "[ . 1 . 2]" 1
349 1 21 CYS H 1 21 CYS HB3 . . 3.800 3.567 3.529 3.607 . 0 0 "[ . 1 . 2]" 1
350 1 21 CYS H 1 22 VAL QG . . 5.500 3.701 3.641 3.825 . 0 0 "[ . 1 . 2]" 1
351 1 21 CYS H 1 48 VAL QG . . 5.440 3.260 3.093 3.485 . 0 0 "[ . 1 . 2]" 1
352 1 21 CYS H 1 50 CYS HB2 . . 4.190 2.222 1.968 2.470 . 0 0 "[ . 1 . 2]" 1
353 1 21 CYS HA 1 21 CYS HB2 . . 2.680 2.553 2.543 2.564 . 0 0 "[ . 1 . 2]" 1
354 1 21 CYS HA 1 22 VAL H . . 2.650 2.218 2.200 2.236 . 0 0 "[ . 1 . 2]" 1
355 1 21 CYS HA 1 22 VAL QG . . 4.170 3.879 3.821 3.950 . 0 0 "[ . 1 . 2]" 1
356 1 21 CYS HA 1 34 CYS HA . . 4.870 4.749 4.717 4.793 . 0 0 "[ . 1 . 2]" 1
357 1 21 CYS HA 1 35 GLY H . . 4.210 4.034 3.982 4.143 . 0 0 "[ . 1 . 2]" 1
358 1 21 CYS HB2 1 22 VAL H . . 3.530 2.967 2.897 3.039 . 0 0 "[ . 1 . 2]" 1
359 1 21 CYS HB2 1 22 VAL HA . . 4.480 4.349 4.330 4.399 . 0 0 "[ . 1 . 2]" 1
360 1 21 CYS HB2 1 56 CYS H . . 4.870 4.733 4.624 4.843 . 0 0 "[ . 1 . 2]" 1
361 1 21 CYS HB2 1 57 ASN H . . 4.160 3.703 3.652 3.750 . 0 0 "[ . 1 . 2]" 1
362 1 21 CYS HB2 1 57 ASN QB . . 4.240 1.984 1.963 2.088 . 0 0 "[ . 1 . 2]" 1
363 1 21 CYS HB3 1 22 VAL H . . 4.130 3.910 3.882 3.964 . 0 0 "[ . 1 . 2]" 1
364 1 21 CYS HB3 1 57 ASN H . . 4.690 4.723 4.676 4.757 0.067 10 0 "[ . 1 . 2]" 1
365 1 21 CYS HB3 1 57 ASN QB . . 3.800 3.599 3.533 3.730 . 0 0 "[ . 1 . 2]" 1
366 1 21 CYS SG 1 50 CYS CB . . 3.100 2.999 2.931 3.108 0.008 17 0 "[ . 1 . 2]" 1
367 1 21 CYS SG 1 50 CYS SG . . 2.100 1.839 1.779 1.967 . 0 0 "[ . 1 . 2]" 1
368 1 22 VAL H 1 22 VAL HB . . 3.080 2.627 2.586 2.641 . 0 0 "[ . 1 . 2]" 1
369 1 22 VAL H 1 22 VAL QG . . 3.230 3.072 3.038 3.107 . 0 0 "[ . 1 . 2]" 1
370 1 22 VAL H 1 33 SER H . . 4.080 3.955 3.890 4.015 . 0 0 "[ . 1 . 2]" 1
371 1 22 VAL H 1 34 CYS HA . . 4.810 4.693 4.621 4.766 . 0 0 "[ . 1 . 2]" 1
372 1 22 VAL H 1 34 CYS QB . . 4.390 1.958 1.917 2.013 . 0 0 "[ . 1 . 2]" 1
373 1 22 VAL H 1 35 GLY H . . 5.290 5.196 5.117 5.311 0.021 15 0 "[ . 1 . 2]" 1
374 1 22 VAL H 1 57 ASN QB . . 4.840 3.159 3.063 3.289 . 0 0 "[ . 1 . 2]" 1
375 1 22 VAL H 1 57 ASN QD . . 4.120 2.723 2.521 2.867 . 0 0 "[ . 1 . 2]" 1
376 1 22 VAL HA 1 22 VAL QG . . 3.080 2.123 2.115 2.125 . 0 0 "[ . 1 . 2]" 1
377 1 22 VAL HA 1 23 HIS H . . 2.940 2.197 2.195 2.201 . 0 0 "[ . 1 . 2]" 1
378 1 22 VAL HB 1 23 HIS H . . 4.540 4.207 4.179 4.235 . 0 0 "[ . 1 . 2]" 1
379 1 22 VAL HB 1 33 SER H . . 3.910 3.624 3.472 3.752 . 0 0 "[ . 1 . 2]" 1
380 1 22 VAL HB 1 57 ASN QD . . 4.840 4.410 4.214 4.630 . 0 0 "[ . 1 . 2]" 1
381 1 22 VAL QG 1 23 HIS H . . 2.680 2.204 2.170 2.246 . 0 0 "[ . 1 . 2]" 1
382 1 22 VAL QG 1 24 TYR H . . 3.550 3.436 3.377 3.508 . 0 0 "[ . 1 . 2]" 1
383 1 22 VAL QG 1 24 TYR QD . . 4.120 3.984 3.915 4.030 . 0 0 "[ . 1 . 2]" 1
384 1 22 VAL QG 1 31 TYR QE . . 3.900 3.936 3.919 3.946 0.046 2 0 "[ . 1 . 2]" 1
385 1 22 VAL QG 1 33 SER H . . 3.140 3.161 3.134 3.175 0.035 14 0 "[ . 1 . 2]" 1
386 1 22 VAL QG 1 33 SER QB . . 5.340 4.523 4.348 4.933 . 0 0 "[ . 1 . 2]" 1
387 1 22 VAL QG 1 34 CYS H . . 5.500 5.303 5.272 5.311 . 0 0 "[ . 1 . 2]" 1
388 1 22 VAL QG 1 35 GLY H . . 4.820 4.808 4.795 4.822 0.002 3 0 "[ . 1 . 2]" 1
389 1 22 VAL QG 1 40 CYS H . . 5.500 5.363 5.236 5.424 . 0 0 "[ . 1 . 2]" 1
390 1 22 VAL QG 1 57 ASN QD . . 4.300 4.011 3.891 4.194 . 0 0 "[ . 1 . 2]" 1
391 1 23 HIS H 1 24 TYR H . . 4.420 4.167 4.139 4.202 . 0 0 "[ . 1 . 2]" 1
392 1 23 HIS H 1 57 ASN QD . . 4.580 4.296 4.080 4.575 . 0 0 "[ . 1 . 2]" 1
393 1 23 HIS HA 1 23 HIS HD2 . . 3.490 2.558 2.465 2.605 . 0 0 "[ . 1 . 2]" 1
394 1 23 HIS HA 1 24 TYR H . . 2.590 2.144 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
395 1 23 HIS QB 1 57 ASN QB . . 3.670 2.050 1.965 2.149 . 0 0 "[ . 1 . 2]" 1
396 1 23 HIS HB2 1 24 TYR H . . 4.470 4.333 4.264 4.457 . 0 0 "[ . 1 . 2]" 1
397 1 23 HIS HB3 1 24 TYR H . . 4.470 4.392 4.299 4.432 . 0 0 "[ . 1 . 2]" 1
398 1 23 HIS HD2 1 24 TYR H . . 2.940 2.402 2.311 2.530 . 0 0 "[ . 1 . 2]" 1
399 1 23 HIS HD2 1 24 TYR HB2 . . 5.150 5.022 4.891 5.142 . 0 0 "[ . 1 . 2]" 1
400 1 23 HIS HD2 1 24 TYR HB3 . . 4.640 4.423 4.313 4.551 . 0 0 "[ . 1 . 2]" 1
401 1 23 HIS HD2 1 30 GLU QG . . 4.240 3.799 3.720 3.874 . 0 0 "[ . 1 . 2]" 1
402 1 23 HIS HD2 1 31 TYR H . . 4.420 4.310 4.191 4.424 0.004 19 0 "[ . 1 . 2]" 1
403 1 23 HIS HD2 1 32 LYS HA . . 4.310 3.988 3.835 4.187 . 0 0 "[ . 1 . 2]" 1
404 1 23 HIS HD2 1 32 LYS HB3 . . 5.200 4.469 4.267 4.939 . 0 0 "[ . 1 . 2]" 1
405 1 23 HIS HE1 1 25 LYS QB . . 5.280 3.402 3.047 4.463 . 0 0 "[ . 1 . 2]" 1
406 1 23 HIS HE1 1 25 LYS QD . . 5.300 3.782 2.378 5.244 . 0 0 "[ . 1 . 2]" 1
407 1 24 TYR H 1 24 TYR HB2 . . 3.070 2.782 2.771 2.802 . 0 0 "[ . 1 . 2]" 1
408 1 24 TYR H 1 24 TYR HB3 . . 3.010 2.610 2.602 2.617 . 0 0 "[ . 1 . 2]" 1
409 1 24 TYR H 1 25 LYS H . . 4.520 4.329 4.326 4.332 . 0 0 "[ . 1 . 2]" 1
410 1 24 TYR H 1 25 LYS HA . . 5.450 5.117 5.110 5.125 . 0 0 "[ . 1 . 2]" 1
411 1 24 TYR H 1 30 GLU QG . . 5.340 4.795 4.758 4.844 . 0 0 "[ . 1 . 2]" 1
412 1 24 TYR H 1 31 TYR QD . . 4.420 4.286 4.224 4.342 . 0 0 "[ . 1 . 2]" 1
413 1 24 TYR H 1 31 TYR QE . . 5.500 4.846 4.785 4.916 . 0 0 "[ . 1 . 2]" 1
414 1 24 TYR H 1 33 SER H . . 5.500 4.380 4.323 4.453 . 0 0 "[ . 1 . 2]" 1
415 1 24 TYR HA 1 31 TYR H . . 4.950 4.808 4.760 4.853 . 0 0 "[ . 1 . 2]" 1
416 1 24 TYR HB2 1 31 TYR QE . . 3.780 3.212 3.188 3.244 . 0 0 "[ . 1 . 2]" 1
417 1 24 TYR HB3 1 31 TYR H . . 3.140 2.640 2.589 2.689 . 0 0 "[ . 1 . 2]" 1
418 1 24 TYR HB3 1 31 TYR QD . . 3.300 3.304 3.288 3.313 0.013 2 0 "[ . 1 . 2]" 1
419 1 24 TYR HB3 1 31 TYR QE . . 4.170 3.396 3.354 3.412 . 0 0 "[ . 1 . 2]" 1
420 1 24 TYR HB3 1 33 SER H . . 5.500 5.490 5.376 5.522 0.022 11 0 "[ . 1 . 2]" 1
421 1 24 TYR QD 1 26 SER H . . 3.790 3.395 3.360 3.421 . 0 0 "[ . 1 . 2]" 1
422 1 24 TYR QD 1 30 GLU HA . . 2.620 2.629 2.622 2.635 0.015 15 0 "[ . 1 . 2]" 1
423 1 24 TYR QD 1 30 GLU QB . . 5.340 4.519 4.477 4.555 . 0 0 "[ . 1 . 2]" 1
424 1 24 TYR QD 1 31 TYR H . . 3.060 2.851 2.805 2.881 . 0 0 "[ . 1 . 2]" 1
425 1 24 TYR QE 1 26 SER H . . 4.140 3.690 3.644 3.735 . 0 0 "[ . 1 . 2]" 1
426 1 24 TYR QE 1 26 SER HB2 . . 4.200 1.980 1.975 1.985 . 0 0 "[ . 1 . 2]" 1
427 1 24 TYR QE 1 26 SER QB . . 3.540 1.965 1.960 1.970 . 0 0 "[ . 1 . 2]" 1
428 1 24 TYR QE 1 26 SER HB3 . . 4.200 3.308 3.289 3.327 . 0 0 "[ . 1 . 2]" 1
429 1 24 TYR QE 1 27 GLU H . . 5.500 5.561 5.555 5.573 0.073 15 0 "[ . 1 . 2]" 1
430 1 24 TYR QE 1 28 ASP H . . 5.260 5.063 5.050 5.082 . 0 0 "[ . 1 . 2]" 1
431 1 24 TYR QE 1 29 GLU H . . 4.070 4.089 4.079 4.095 0.025 7 0 "[ . 1 . 2]" 1
432 1 24 TYR QE 1 29 GLU QG . . 3.800 2.265 2.228 2.303 . 0 0 "[ . 1 . 2]" 1
433 1 25 LYS H 1 26 SER H . . 5.500 4.175 4.162 4.184 . 0 0 "[ . 1 . 2]" 1
434 1 25 LYS HA 1 26 SER H . . 2.910 2.141 2.141 2.143 . 0 0 "[ . 1 . 2]" 1
435 1 25 LYS QB 1 26 SER H . . 4.250 3.848 3.806 3.870 . 0 0 "[ . 1 . 2]" 1
436 1 25 LYS QE 1 25 LYS QG . . 3.010 2.246 2.017 2.684 . 0 0 "[ . 1 . 2]" 1
437 1 25 LYS QE 1 26 SER H . . 5.340 4.787 3.483 5.339 . 0 0 "[ . 1 . 2]" 1
438 1 25 LYS QG 1 26 SER H . . 3.490 3.144 2.958 3.429 . 0 0 "[ . 1 . 2]" 1
439 1 26 SER H 1 26 SER HB2 . . 4.120 2.625 2.613 2.638 . 0 0 "[ . 1 . 2]" 1
440 1 26 SER H 1 26 SER QB . . 3.530 2.577 2.565 2.588 . 0 0 "[ . 1 . 2]" 1
441 1 26 SER H 1 26 SER HB3 . . 4.120 3.747 3.738 3.753 . 0 0 "[ . 1 . 2]" 1
442 1 26 SER H 1 27 GLU H . . 5.100 4.446 4.441 4.451 . 0 0 "[ . 1 . 2]" 1
443 1 26 SER H 1 28 ASP H . . 4.850 4.678 4.669 4.687 . 0 0 "[ . 1 . 2]" 1
444 1 26 SER H 1 29 GLU H . . 3.830 3.742 3.735 3.748 . 0 0 "[ . 1 . 2]" 1
445 1 26 SER H 1 30 GLU H . . 5.180 4.725 4.716 4.735 . 0 0 "[ . 1 . 2]" 1
446 1 26 SER H 1 30 GLU HA . . 4.180 2.826 2.812 2.840 . 0 0 "[ . 1 . 2]" 1
447 1 26 SER H 1 30 GLU QG . . 5.340 3.569 3.370 3.770 . 0 0 "[ . 1 . 2]" 1
448 1 26 SER HA 1 27 GLU H . . 2.780 2.375 2.370 2.378 . 0 0 "[ . 1 . 2]" 1
449 1 26 SER HA 1 28 ASP H . . 4.130 3.952 3.947 3.957 . 0 0 "[ . 1 . 2]" 1
450 1 26 SER HA 1 29 GLU H . . 4.570 4.397 4.393 4.401 . 0 0 "[ . 1 . 2]" 1
451 1 26 SER QB 1 27 GLU H . . 2.630 2.486 2.479 2.494 . 0 0 "[ . 1 . 2]" 1
452 1 26 SER QB 1 28 ASP H . . 3.050 2.223 2.216 2.232 . 0 0 "[ . 1 . 2]" 1
453 1 26 SER HB2 1 28 ASP H . . 3.560 3.286 3.273 3.296 . 0 0 "[ . 1 . 2]" 1
454 1 26 SER HB2 1 29 GLU H . . 3.860 2.478 2.465 2.485 . 0 0 "[ . 1 . 2]" 1
455 1 26 SER HB3 1 28 ASP H . . 3.560 2.260 2.253 2.272 . 0 0 "[ . 1 . 2]" 1
456 1 26 SER HB3 1 29 GLU H . . 3.860 2.754 2.740 2.771 . 0 0 "[ . 1 . 2]" 1
457 1 27 GLU H 1 27 GLU QB . . 2.690 2.549 2.447 2.632 . 0 0 "[ . 1 . 2]" 1
458 1 27 GLU H 1 27 GLU QG . . 3.040 2.114 1.955 2.671 . 0 0 "[ . 1 . 2]" 1
459 1 27 GLU H 1 28 ASP H . . 2.870 2.479 2.477 2.481 . 0 0 "[ . 1 . 2]" 1
460 1 27 GLU H 1 28 ASP HB3 . . 5.500 5.237 5.221 5.262 . 0 0 "[ . 1 . 2]" 1
461 1 27 GLU H 1 29 GLU H . . 4.060 3.947 3.942 3.952 . 0 0 "[ . 1 . 2]" 1
462 1 27 GLU HA 1 27 GLU QB . . 2.760 2.215 2.176 2.312 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLU HA 1 28 ASP H . . 3.470 3.383 3.382 3.385 . 0 0 "[ . 1 . 2]" 1
464 1 27 GLU HA 1 29 GLU H . . 4.420 4.310 4.306 4.315 . 0 0 "[ . 1 . 2]" 1
465 1 27 GLU QB 1 28 ASP H . . 3.910 3.550 3.139 3.727 . 0 0 "[ . 1 . 2]" 1
466 1 27 GLU QG 1 28 ASP H . . 4.120 3.065 2.558 4.056 . 0 0 "[ . 1 . 2]" 1
467 1 28 ASP H 1 28 ASP HA . . 2.940 2.936 2.935 2.937 . 0 0 "[ . 1 . 2]" 1
468 1 28 ASP H 1 28 ASP HB2 . . 3.010 2.478 2.463 2.487 . 0 0 "[ . 1 . 2]" 1
469 1 28 ASP H 1 28 ASP HB3 . . 3.090 2.949 2.934 2.969 . 0 0 "[ . 1 . 2]" 1
470 1 28 ASP H 1 29 GLU H . . 2.400 2.068 2.064 2.071 . 0 0 "[ . 1 . 2]" 1
471 1 28 ASP HB2 1 29 GLU H . . 3.770 3.732 3.714 3.746 . 0 0 "[ . 1 . 2]" 1
472 1 28 ASP HB3 1 29 GLU H . . 3.190 3.097 3.089 3.110 . 0 0 "[ . 1 . 2]" 1
473 1 29 GLU H 1 29 GLU QB . . 3.200 3.179 3.165 3.200 0.000 10 0 "[ . 1 . 2]" 1
474 1 29 GLU H 1 29 GLU QG . . 2.600 2.581 2.543 2.599 . 0 0 "[ . 1 . 2]" 1
475 1 29 GLU H 1 30 GLU H . . 4.450 4.373 4.372 4.374 . 0 0 "[ . 1 . 2]" 1
476 1 29 GLU H 1 30 GLU HA . . 4.970 4.802 4.798 4.806 . 0 0 "[ . 1 . 2]" 1
477 1 29 GLU HA 1 30 GLU H . . 2.550 2.427 2.425 2.430 . 0 0 "[ . 1 . 2]" 1
478 1 29 GLU QB 1 30 GLU H . . 2.520 2.419 2.396 2.434 . 0 0 "[ . 1 . 2]" 1
479 1 29 GLU QG 1 30 GLU H . . 3.320 3.231 3.183 3.302 . 0 0 "[ . 1 . 2]" 1
480 1 29 GLU QG 1 31 TYR QD . . 3.470 2.921 2.797 3.113 . 0 0 "[ . 1 . 2]" 1
481 1 29 GLU QG 1 31 TYR QE . . 4.340 2.945 2.851 3.066 . 0 0 "[ . 1 . 2]" 1
482 1 30 GLU H 1 30 GLU QB . . 2.960 2.780 2.768 2.793 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLU H 1 30 GLU QG . . 4.460 4.133 4.080 4.171 . 0 0 "[ . 1 . 2]" 1
484 1 30 GLU H 1 31 TYR H . . 4.120 4.074 4.070 4.077 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLU H 1 31 TYR HB3 . . 4.500 4.127 4.112 4.139 . 0 0 "[ . 1 . 2]" 1
486 1 30 GLU H 1 31 TYR QD . . 3.750 3.676 3.627 3.720 . 0 0 "[ . 1 . 2]" 1
487 1 30 GLU HA 1 30 GLU HG2 . . 3.770 3.173 3.001 3.295 . 0 0 "[ . 1 . 2]" 1
488 1 30 GLU HA 1 30 GLU QG . . 3.290 2.480 2.418 2.547 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLU HA 1 30 GLU HG3 . . 3.770 2.593 2.490 2.680 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLU HA 1 31 TYR H . . 2.430 2.144 2.143 2.145 . 0 0 "[ . 1 . 2]" 1
491 1 30 GLU HA 1 31 TYR QD . . 4.140 4.009 3.978 4.047 . 0 0 "[ . 1 . 2]" 1
492 1 30 GLU QB 1 31 TYR H . . 4.350 3.785 3.780 3.788 . 0 0 "[ . 1 . 2]" 1
493 1 30 GLU QG 1 31 TYR H . . 2.960 2.856 2.833 2.869 . 0 0 "[ . 1 . 2]" 1
494 1 30 GLU HG2 1 31 TYR H . . 3.420 3.249 3.047 3.409 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLU HG3 1 31 TYR H . . 3.420 3.184 3.027 3.389 . 0 0 "[ . 1 . 2]" 1
496 1 31 TYR H 1 31 TYR HB2 . . 4.100 3.967 3.962 3.973 . 0 0 "[ . 1 . 2]" 1
497 1 31 TYR H 1 31 TYR HB3 . . 3.790 3.398 3.381 3.416 . 0 0 "[ . 1 . 2]" 1
498 1 31 TYR H 1 31 TYR QD . . 4.140 3.336 3.318 3.360 . 0 0 "[ . 1 . 2]" 1
499 1 31 TYR H 1 31 TYR QE . . 4.850 4.569 4.559 4.581 . 0 0 "[ . 1 . 2]" 1
500 1 31 TYR H 1 32 LYS H . . 4.510 4.375 4.374 4.375 . 0 0 "[ . 1 . 2]" 1
501 1 31 TYR HA 1 32 LYS H . . 3.200 2.393 2.390 2.395 . 0 0 "[ . 1 . 2]" 1
502 1 31 TYR HB2 1 32 LYS H . . 3.680 2.467 2.457 2.474 . 0 0 "[ . 1 . 2]" 1
503 1 31 TYR HB3 1 32 LYS H . . 4.120 3.806 3.790 3.822 . 0 0 "[ . 1 . 2]" 1
504 1 31 TYR QD 1 32 LYS H . . 4.440 3.157 3.111 3.206 . 0 0 "[ . 1 . 2]" 1
505 1 31 TYR QD 1 33 SER H . . 4.200 3.782 3.750 3.823 . 0 0 "[ . 1 . 2]" 1
506 1 31 TYR QD 1 33 SER QB . . 3.490 3.360 3.240 3.492 0.002 6 0 "[ . 1 . 2]" 1
507 1 31 TYR QE 1 33 SER H . . 5.500 4.622 4.519 4.730 . 0 0 "[ . 1 . 2]" 1
508 1 31 TYR QE 1 33 SER QB . . 4.730 4.069 3.740 4.577 . 0 0 "[ . 1 . 2]" 1
509 1 32 LYS H 1 33 SER H . . 4.840 4.293 4.282 4.309 . 0 0 "[ . 1 . 2]" 1
510 1 32 LYS HA 1 33 SER H . . 2.600 2.173 2.171 2.177 . 0 0 "[ . 1 . 2]" 1
511 1 32 LYS HA 1 57 ASN QD . . 3.810 3.742 3.593 3.822 0.012 4 0 "[ . 1 . 2]" 1
512 1 32 LYS HB3 1 33 SER H . . 3.500 3.158 3.136 3.190 . 0 0 "[ . 1 . 2]" 1
513 1 32 LYS HB3 1 57 ASN HD21 . . 3.480 2.442 2.186 2.695 . 0 0 "[ . 1 . 2]" 1
514 1 32 LYS HB3 1 57 ASN HD22 . . 3.480 2.699 2.510 2.954 . 0 0 "[ . 1 . 2]" 1
515 1 33 SER H 1 33 SER QB . . 3.620 2.944 2.864 3.171 . 0 0 "[ . 1 . 2]" 1
516 1 33 SER H 1 34 CYS H . . 5.190 4.244 4.230 4.271 . 0 0 "[ . 1 . 2]" 1
517 1 33 SER H 1 34 CYS QB . . 5.080 3.765 3.741 3.811 . 0 0 "[ . 1 . 2]" 1
518 1 33 SER H 1 57 ASN QB . . 5.340 5.047 4.839 5.245 . 0 0 "[ . 1 . 2]" 1
519 1 33 SER H 1 57 ASN QD . . 3.470 3.447 3.337 3.512 0.042 4 0 "[ . 1 . 2]" 1
520 1 33 SER HA 1 34 CYS H . . 3.000 2.243 2.231 2.266 . 0 0 "[ . 1 . 2]" 1
521 1 33 SER HA 1 57 ASN QD . . 5.340 4.143 3.877 4.250 . 0 0 "[ . 1 . 2]" 1
522 1 33 SER QB 1 34 CYS H . . 2.950 2.886 2.831 2.958 0.008 7 0 "[ . 1 . 2]" 1
523 1 34 CYS CB 1 40 CYS SG . . 3.100 3.110 3.093 3.123 0.023 17 0 "[ . 1 . 2]" 1
524 1 34 CYS H 1 34 CYS HB2 . . 3.680 3.220 3.218 3.223 . 0 0 "[ . 1 . 2]" 1
525 1 34 CYS H 1 34 CYS HB3 . . 3.680 3.545 3.538 3.551 . 0 0 "[ . 1 . 2]" 1
526 1 34 CYS H 1 35 GLY H . . 5.500 4.346 4.343 4.349 . 0 0 "[ . 1 . 2]" 1
527 1 34 CYS HA 1 35 GLY H . . 2.850 2.730 2.715 2.738 . 0 0 "[ . 1 . 2]" 1
528 1 34 CYS QB 1 35 GLY H . . 3.760 2.301 2.283 2.337 . 0 0 "[ . 1 . 2]" 1
529 1 34 CYS SG 1 40 CYS CB . . 3.100 3.131 3.116 3.157 0.057 20 0 "[ . 1 . 2]" 1
530 1 34 CYS SG 1 40 CYS SG . . 2.100 1.373 1.336 1.419 . 0 0 "[ . 1 . 2]" 1
531 1 35 GLY H 1 36 ILE H . . 4.080 3.117 3.042 3.218 . 0 0 "[ . 1 . 2]" 1
532 1 35 GLY HA3 1 36 ILE H . . 2.660 2.367 2.308 2.399 . 0 0 "[ . 1 . 2]" 1
533 1 36 ILE H 1 36 ILE HB . . 3.700 3.638 3.603 3.653 . 0 0 "[ . 1 . 2]" 1
534 1 36 ILE H 1 36 ILE MD . . 3.620 3.630 3.588 3.651 0.031 11 0 "[ . 1 . 2]" 1
535 1 36 ILE H 1 36 ILE HG12 . . 3.080 1.961 1.911 2.035 . 0 0 "[ . 1 . 2]" 1
536 1 36 ILE H 1 36 ILE HG13 . . 3.250 2.519 2.405 2.619 . 0 0 "[ . 1 . 2]" 1
537 1 36 ILE H 1 36 ILE MG . . 3.480 3.086 2.875 3.214 . 0 0 "[ . 1 . 2]" 1
538 1 36 ILE H 1 39 GLU H . . 4.140 3.837 3.358 4.065 . 0 0 "[ . 1 . 2]" 1
539 1 36 ILE H 1 39 GLU QB . . 3.460 2.981 2.005 3.505 0.045 6 0 "[ . 1 . 2]" 1
540 1 36 ILE H 1 39 GLU QG . . 4.330 3.659 2.037 4.354 0.024 15 0 "[ . 1 . 2]" 1
541 1 36 ILE HA 1 39 GLU H . . 4.910 4.553 4.410 4.594 . 0 0 "[ . 1 . 2]" 1
542 1 36 ILE HB 1 38 GLU H . . 4.540 2.440 2.246 2.557 . 0 0 "[ . 1 . 2]" 1
543 1 36 ILE HB 1 39 GLU H . . 3.710 3.228 3.144 3.321 . 0 0 "[ . 1 . 2]" 1
544 1 36 ILE MD 1 36 ILE MG . . 3.250 2.074 1.968 2.213 . 0 0 "[ . 1 . 2]" 1
545 1 36 ILE MD 1 38 GLU H . . 4.150 3.723 3.475 3.939 . 0 0 "[ . 1 . 2]" 1
546 1 36 ILE MD 1 39 GLU H . . 3.730 3.112 3.003 3.356 . 0 0 "[ . 1 . 2]" 1
547 1 36 ILE MD 1 39 GLU QG . . 4.250 2.266 1.802 3.862 . 0 0 "[ . 1 . 2]" 1
548 1 36 ILE HG13 1 38 GLU H . . 4.000 3.477 3.128 3.803 . 0 0 "[ . 1 . 2]" 1
549 1 36 ILE HG13 1 39 GLU H . . 3.160 1.961 1.921 2.201 . 0 0 "[ . 1 . 2]" 1
550 1 36 ILE HG13 1 39 GLU QB . . 4.590 1.986 1.971 2.061 . 0 0 "[ . 1 . 2]" 1
551 1 36 ILE HG13 1 40 CYS H . . 5.500 3.552 3.411 3.847 . 0 0 "[ . 1 . 2]" 1
552 1 36 ILE MG 1 39 GLU H . . 4.600 4.469 4.417 4.500 . 0 0 "[ . 1 . 2]" 1
553 1 37 GLN HA 1 37 GLN HE21 . . 5.230 2.243 1.949 2.840 . 0 0 "[ . 1 . 2]" 1
554 1 37 GLN HA 1 37 GLN HE22 . . 4.420 3.771 3.333 3.889 . 0 0 "[ . 1 . 2]" 1
555 1 37 GLN HA 1 39 GLU H . . 4.370 4.231 4.149 4.330 . 0 0 "[ . 1 . 2]" 1
556 1 37 GLN HA 1 40 CYS H . . 3.860 3.310 3.218 3.409 . 0 0 "[ . 1 . 2]" 1
557 1 37 GLN HE21 1 37 GLN QG . . 3.110 2.436 2.350 2.662 . 0 0 "[ . 1 . 2]" 1
558 1 37 GLN HE21 1 38 GLU H . . 5.500 5.482 5.279 5.615 0.115 13 0 "[ . 1 . 2]" 1
559 1 37 GLN HE21 1 40 CYS HB2 . . 5.010 3.676 3.496 4.721 . 0 0 "[ . 1 . 2]" 1
560 1 37 GLN HE21 1 40 CYS HB3 . . 5.060 3.563 3.305 4.962 . 0 0 "[ . 1 . 2]" 1
561 1 37 GLN HE21 1 50 CYS HB2 . . 5.500 5.513 5.481 5.537 0.037 1 0 "[ . 1 . 2]" 1
562 1 37 GLN HE22 1 37 GLN QG . . 3.420 3.369 3.340 3.441 0.021 13 0 "[ . 1 . 2]" 1
563 1 37 GLN HE22 1 40 CYS HB2 . . 5.110 5.049 4.500 5.129 0.019 1 0 "[ . 1 . 2]" 1
564 1 37 GLN HE22 1 40 CYS HB3 . . 5.010 4.638 4.023 5.045 0.035 17 0 "[ . 1 . 2]" 1
565 1 37 GLN HE22 1 50 CYS HB2 . . 5.450 4.745 4.518 5.469 0.019 17 0 "[ . 1 . 2]" 1
566 1 37 GLN HE22 1 50 CYS HB3 . . 5.390 5.400 5.377 5.460 0.070 17 0 "[ . 1 . 2]" 1
567 1 37 GLN QG 1 38 GLU H . . 4.590 4.004 3.871 4.191 . 0 0 "[ . 1 . 2]" 1
568 1 38 GLU H 1 38 GLU QB . . 2.490 2.267 2.159 2.457 . 0 0 "[ . 1 . 2]" 1
569 1 38 GLU H 1 38 GLU QG . . 4.170 3.226 2.143 4.056 . 0 0 "[ . 1 . 2]" 1
570 1 38 GLU H 1 39 GLU H . . 3.000 2.624 2.444 2.712 . 0 0 "[ . 1 . 2]" 1
571 1 38 GLU H 1 40 CYS H . . 4.630 3.977 3.734 4.128 . 0 0 "[ . 1 . 2]" 1
572 1 38 GLU HA 1 40 CYS H . . 4.910 4.658 4.319 4.840 . 0 0 "[ . 1 . 2]" 1
573 1 38 GLU HA 1 41 GLU H . . 4.430 3.921 3.713 4.072 . 0 0 "[ . 1 . 2]" 1
574 1 38 GLU QB 1 39 GLU H . . 3.060 2.653 2.604 2.856 . 0 0 "[ . 1 . 2]" 1
575 1 38 GLU QB 1 40 CYS H . . 4.930 4.659 4.484 4.769 . 0 0 "[ . 1 . 2]" 1
576 1 39 GLU H 1 39 GLU QB . . 2.550 2.311 2.217 2.361 . 0 0 "[ . 1 . 2]" 1
577 1 39 GLU H 1 39 GLU QG . . 3.060 2.683 2.541 2.953 . 0 0 "[ . 1 . 2]" 1
578 1 39 GLU H 1 40 CYS HB2 . . 4.260 4.145 4.113 4.187 . 0 0 "[ . 1 . 2]" 1
579 1 39 GLU H 1 40 CYS HB3 . . 5.500 5.556 5.524 5.652 0.152 17 0 "[ . 1 . 2]" 1
580 1 39 GLU HA 1 39 GLU QG . . 3.610 2.665 2.326 3.429 . 0 0 "[ . 1 . 2]" 1
581 1 39 GLU QB 1 40 CYS H . . 3.510 2.808 2.545 3.555 0.045 13 0 "[ . 1 . 2]" 1
582 1 39 GLU QG 1 40 CYS H . . 4.410 3.824 2.267 4.348 . 0 0 "[ . 1 . 2]" 1
583 1 40 CYS H 1 40 CYS HB2 . . 2.980 2.091 2.072 2.128 . 0 0 "[ . 1 . 2]" 1
584 1 40 CYS H 1 40 CYS HB3 . . 3.510 3.351 3.320 3.408 . 0 0 "[ . 1 . 2]" 1
585 1 40 CYS H 1 41 GLU QB . . 4.830 4.329 4.153 4.442 . 0 0 "[ . 1 . 2]" 1
586 1 40 CYS H 1 48 VAL QG . . 5.440 4.397 4.176 4.591 . 0 0 "[ . 1 . 2]" 1
587 1 40 CYS HA 1 48 VAL QG . . 4.480 3.545 3.222 4.105 . 0 0 "[ . 1 . 2]" 1
588 1 40 CYS HB2 1 41 GLU H . . 3.870 3.151 3.014 3.438 . 0 0 "[ . 1 . 2]" 1
589 1 40 CYS HB3 1 41 GLU H . . 3.820 3.198 3.016 3.464 . 0 0 "[ . 1 . 2]" 1
590 1 41 GLU H 1 41 GLU HB2 . . 3.170 2.491 2.085 2.625 . 0 0 "[ . 1 . 2]" 1
591 1 41 GLU H 1 41 GLU QB . . 2.610 2.247 2.060 2.311 . 0 0 "[ . 1 . 2]" 1
592 1 41 GLU H 1 41 GLU HB3 . . 3.170 2.599 2.428 3.214 0.044 14 0 "[ . 1 . 2]" 1
593 1 41 GLU H 1 42 ASP H . . 3.870 2.584 2.461 2.670 . 0 0 "[ . 1 . 2]" 1
594 1 41 GLU H 1 48 VAL MG1 . . 4.680 4.367 3.215 4.770 0.090 14 0 "[ . 1 . 2]" 1
595 1 41 GLU H 1 48 VAL QG . . 3.960 3.708 3.163 3.958 . 0 0 "[ . 1 . 2]" 1
596 1 41 GLU H 1 48 VAL MG2 . . 4.680 4.229 3.743 4.713 0.033 12 0 "[ . 1 . 2]" 1
597 1 41 GLU QB 1 42 ASP H . . 3.490 3.119 2.916 3.499 0.009 12 0 "[ . 1 . 2]" 1
598 1 42 ASP H 1 42 ASP HB2 . . 3.410 2.409 2.082 3.508 0.098 2 0 "[ . 1 . 2]" 1
599 1 42 ASP H 1 42 ASP QB . . 2.890 2.186 2.063 2.263 . 0 0 "[ . 1 . 2]" 1
600 1 42 ASP H 1 42 ASP HB3 . . 3.410 2.847 2.200 3.534 0.124 18 0 "[ . 1 . 2]" 1
601 1 42 ASP QB 1 43 ALA H . . 3.930 2.901 2.615 3.507 . 0 0 "[ . 1 . 2]" 1
602 1 42 ASP HB2 1 43 ALA H . . 4.640 3.766 2.752 4.158 . 0 0 "[ . 1 . 2]" 1
603 1 42 ASP HB3 1 43 ALA H . . 4.640 3.080 2.859 3.778 . 0 0 "[ . 1 . 2]" 1
604 1 43 ALA H 1 43 ALA MB . . 3.000 2.219 2.138 2.251 . 0 0 "[ . 1 . 2]" 1
605 1 43 ALA H 1 44 GLU H . . 4.620 4.215 3.965 4.591 . 0 0 "[ . 1 . 2]" 1
606 1 43 ALA H 1 48 VAL QG . . 5.000 4.185 3.592 5.007 0.007 7 0 "[ . 1 . 2]" 1
607 1 43 ALA HA 1 44 GLU H . . 2.600 2.248 2.143 2.353 . 0 0 "[ . 1 . 2]" 1
608 1 43 ALA MB 1 44 GLU H . . 3.680 3.472 2.955 3.660 . 0 0 "[ . 1 . 2]" 1
609 1 43 ALA MB 1 44 GLU HA . . 4.700 4.414 4.231 4.562 . 0 0 "[ . 1 . 2]" 1
610 1 43 ALA MB 1 46 ALA MB . . 4.040 2.778 1.787 4.029 . 0 0 "[ . 1 . 2]" 1
611 1 43 ALA MB 1 48 VAL H . . 5.500 5.410 5.068 5.511 0.011 7 0 "[ . 1 . 2]" 1
612 1 43 ALA MB 1 48 VAL QG . . 4.490 3.333 2.445 4.482 . 0 0 "[ . 1 . 2]" 1
613 1 44 GLU H 1 44 GLU QB . . 2.990 2.380 2.171 2.687 . 0 0 "[ . 1 . 2]" 1
614 1 44 GLU H 1 44 GLU QG . . 4.030 3.091 1.937 4.037 0.007 7 0 "[ . 1 . 2]" 1
615 1 44 GLU HA 1 45 GLY H . . 3.490 2.203 2.154 2.263 . 0 0 "[ . 1 . 2]" 1
616 1 45 GLY H 1 46 ALA H . . 4.860 3.055 2.647 3.755 . 0 0 "[ . 1 . 2]" 1
617 1 46 ALA H 1 46 ALA MB . . 3.310 2.301 2.125 2.460 . 0 0 "[ . 1 . 2]" 1
618 1 46 ALA H 1 47 THR H . . 4.730 4.541 4.429 4.629 . 0 0 "[ . 1 . 2]" 1
619 1 46 ALA HA 1 47 THR H . . 2.810 2.313 2.190 2.371 . 0 0 "[ . 1 . 2]" 1
620 1 46 ALA MB 1 47 THR H . . 3.010 2.604 2.442 2.912 . 0 0 "[ . 1 . 2]" 1
621 1 46 ALA MB 1 47 THR HB . . 4.970 4.871 4.643 4.967 . 0 0 "[ . 1 . 2]" 1
622 1 47 THR H 1 47 THR HB . . 3.270 2.785 2.577 3.094 . 0 0 "[ . 1 . 2]" 1
623 1 47 THR H 1 47 THR MG . . 4.090 2.945 1.995 3.922 . 0 0 "[ . 1 . 2]" 1
624 1 47 THR H 1 48 VAL H . . 4.730 4.504 4.361 4.592 . 0 0 "[ . 1 . 2]" 1
625 1 47 THR HA 1 47 THR MG . . 3.230 2.707 2.081 3.207 . 0 0 "[ . 1 . 2]" 1
626 1 47 THR HA 1 48 VAL H . . 2.410 2.202 2.146 2.214 . 0 0 "[ . 1 . 2]" 1
627 1 47 THR HB 1 48 VAL H . . 4.320 4.002 3.748 4.203 . 0 0 "[ . 1 . 2]" 1
628 1 47 THR MG 1 48 VAL H . . 3.730 3.023 2.050 3.731 0.001 7 0 "[ . 1 . 2]" 1
629 1 48 VAL H 1 48 VAL HB . . 3.140 2.698 2.523 3.142 0.002 2 0 "[ . 1 . 2]" 1
630 1 48 VAL H 1 48 VAL QG . . 3.090 2.405 1.886 2.664 . 0 0 "[ . 1 . 2]" 1
631 1 49 LEU H 1 50 CYS H . . 4.690 4.357 4.333 4.388 . 0 0 "[ . 1 . 2]" 1
632 1 49 LEU HA 1 50 CYS H . . 2.640 2.174 2.161 2.195 . 0 0 "[ . 1 . 2]" 1
633 1 49 LEU QB 1 50 CYS H . . 4.140 3.607 3.441 3.681 . 0 0 "[ . 1 . 2]" 1
634 1 49 LEU QD 1 50 CYS H . . 3.420 3.295 1.830 3.426 0.006 13 0 "[ . 1 . 2]" 1
635 1 49 LEU MD1 1 50 CYS H . . 4.020 3.793 3.592 4.258 0.238 12 0 "[ . 1 . 2]" 1
636 1 49 LEU MD2 1 50 CYS H . . 4.020 3.759 1.832 4.024 0.004 8 0 "[ . 1 . 2]" 1
637 1 49 LEU HG 1 50 CYS H . . 3.780 2.642 2.429 3.886 0.106 12 0 "[ . 1 . 2]" 1
638 1 50 CYS H 1 50 CYS HB2 . . 3.950 2.882 2.804 2.972 . 0 0 "[ . 1 . 2]" 1
639 1 50 CYS H 1 50 CYS HB3 . . 3.490 2.856 2.751 2.929 . 0 0 "[ . 1 . 2]" 1
640 1 50 CYS H 1 51 CYS H . . 4.880 4.457 4.455 4.466 . 0 0 "[ . 1 . 2]" 1
641 1 50 CYS HA 1 51 CYS H . . 2.850 2.264 2.259 2.272 . 0 0 "[ . 1 . 2]" 1
642 1 50 CYS HB2 1 51 CYS H . . 4.270 4.128 4.069 4.168 . 0 0 "[ . 1 . 2]" 1
643 1 50 CYS HB3 1 51 CYS H . . 4.090 3.660 3.580 3.758 . 0 0 "[ . 1 . 2]" 1
644 1 51 CYS CB 1 56 CYS SG . . 3.100 2.841 2.794 2.927 . 0 0 "[ . 1 . 2]" 1
645 1 51 CYS H 1 52 PRO HD3 . . 5.500 5.024 5.015 5.031 . 0 0 "[ . 1 . 2]" 1
646 1 51 CYS H 1 53 GLU H . . 4.790 4.685 4.654 4.755 . 0 0 "[ . 1 . 2]" 1
647 1 51 CYS HA 1 52 PRO HD2 . . 3.470 2.357 2.339 2.371 . 0 0 "[ . 1 . 2]" 1
648 1 51 CYS HA 1 52 PRO HD3 . . 3.280 2.283 2.278 2.287 . 0 0 "[ . 1 . 2]" 1
649 1 51 CYS HA 1 53 GLU H . . 4.030 3.859 3.851 3.866 . 0 0 "[ . 1 . 2]" 1
650 1 51 CYS QB 1 52 PRO HD2 . . 4.370 2.065 2.031 2.106 . 0 0 "[ . 1 . 2]" 1
651 1 51 CYS QB 1 52 PRO HD3 . . 4.740 3.361 3.339 3.391 . 0 0 "[ . 1 . 2]" 1
652 1 51 CYS QB 1 53 GLU H . . 2.700 2.438 2.413 2.454 . 0 0 "[ . 1 . 2]" 1
653 1 51 CYS QB 1 53 GLU QB . . 3.530 3.034 2.811 3.546 0.016 14 0 "[ . 1 . 2]" 1
654 1 51 CYS HB2 1 53 GLU H . . 3.280 2.595 2.536 2.630 . 0 0 "[ . 1 . 2]" 1
655 1 51 CYS HB3 1 53 GLU H . . 3.280 2.962 2.920 3.026 . 0 0 "[ . 1 . 2]" 1
656 1 51 CYS SG 1 56 CYS CB . . 3.100 3.139 3.128 3.159 0.059 14 0 "[ . 1 . 2]" 1
657 1 51 CYS SG 1 56 CYS SG . . 2.100 1.674 1.614 1.823 . 0 0 "[ . 1 . 2]" 1
658 1 52 PRO HA 1 53 GLU H . . 3.540 3.391 3.385 3.408 . 0 0 "[ . 1 . 2]" 1
659 1 52 PRO HD2 1 53 GLU H . . 2.950 2.834 2.801 2.844 . 0 0 "[ . 1 . 2]" 1
660 1 52 PRO HD3 1 53 GLU H . . 4.130 3.942 3.925 3.947 . 0 0 "[ . 1 . 2]" 1
661 1 52 PRO HG2 1 53 GLU H . . 3.240 3.030 2.965 3.051 . 0 0 "[ . 1 . 2]" 1
662 1 53 GLU H 1 53 GLU QB . . 2.550 2.298 2.139 2.513 . 0 0 "[ . 1 . 2]" 1
663 1 53 GLU H 1 53 GLU QG . . 3.770 3.165 2.224 3.627 . 0 0 "[ . 1 . 2]" 1
664 1 53 GLU H 1 54 ASP H . . 4.570 4.491 4.479 4.502 . 0 0 "[ . 1 . 2]" 1
665 1 53 GLU H 1 56 CYS HB2 . . 4.040 4.004 3.939 4.046 0.006 11 0 "[ . 1 . 2]" 1
666 1 53 GLU HA 1 53 GLU QG . . 3.660 2.494 2.109 3.325 . 0 0 "[ . 1 . 2]" 1
667 1 53 GLU HA 1 54 ASP H . . 2.700 2.610 2.606 2.614 . 0 0 "[ . 1 . 2]" 1
668 1 53 GLU QB 1 54 ASP H . . 2.780 2.052 1.971 2.256 . 0 0 "[ . 1 . 2]" 1
669 1 53 GLU QB 1 56 CYS HB2 . . 4.120 3.736 3.330 4.177 0.057 14 0 "[ . 1 . 2]" 1
670 1 53 GLU QG 1 54 ASP H . . 3.590 3.216 2.688 3.523 . 0 0 "[ . 1 . 2]" 1
671 1 53 GLU HG2 1 54 ASP H . . 4.140 3.818 2.747 4.138 . 0 0 "[ . 1 . 2]" 1
672 1 53 GLU HG3 1 54 ASP H . . 4.140 3.627 2.745 4.143 0.003 2 0 "[ . 1 . 2]" 1
673 1 54 ASP H 1 54 ASP QB . . 3.050 2.810 2.519 2.949 . 0 0 "[ . 1 . 2]" 1
674 1 54 ASP H 1 55 LEU H . . 4.610 4.546 4.502 4.569 . 0 0 "[ . 1 . 2]" 1
675 1 54 ASP H 1 55 LEU HG . . 5.500 5.465 5.370 5.524 0.024 17 0 "[ . 1 . 2]" 1
676 1 54 ASP H 1 56 CYS HB2 . . 5.500 5.240 4.983 5.417 . 0 0 "[ . 1 . 2]" 1
677 1 54 ASP HA 1 55 LEU H . . 2.530 2.229 2.187 2.260 . 0 0 "[ . 1 . 2]" 1
678 1 54 ASP HA 1 56 CYS H . . 4.200 4.196 4.116 4.228 0.028 7 0 "[ . 1 . 2]" 1
679 1 54 ASP QB 1 55 LEU H . . 3.920 2.874 2.760 3.021 . 0 0 "[ . 1 . 2]" 1
680 1 54 ASP QB 1 55 LEU MD1 . . 5.340 3.978 3.664 4.414 . 0 0 "[ . 1 . 2]" 1
681 1 54 ASP QB 1 55 LEU MD2 . . 4.900 3.806 3.594 3.989 . 0 0 "[ . 1 . 2]" 1
682 1 54 ASP QB 1 55 LEU HG . . 3.470 2.789 2.597 3.204 . 0 0 "[ . 1 . 2]" 1
683 1 54 ASP QB 1 56 CYS H . . 5.340 5.308 5.230 5.402 0.062 10 0 "[ . 1 . 2]" 1
684 1 55 LEU H 1 55 LEU HA . . 2.670 2.274 2.273 2.276 . 0 0 "[ . 1 . 2]" 1
685 1 55 LEU H 1 55 LEU HB2 . . 3.780 3.547 3.520 3.592 . 0 0 "[ . 1 . 2]" 1
686 1 55 LEU H 1 55 LEU HB3 . . 4.030 4.035 3.998 4.046 0.016 11 0 "[ . 1 . 2]" 1
687 1 55 LEU H 1 55 LEU MD2 . . 2.890 2.744 2.615 2.884 . 0 0 "[ . 1 . 2]" 1
688 1 55 LEU H 1 55 LEU HG . . 3.190 3.010 2.814 3.073 . 0 0 "[ . 1 . 2]" 1
689 1 55 LEU H 1 56 CYS H . . 3.310 2.954 2.900 3.025 . 0 0 "[ . 1 . 2]" 1
690 1 55 LEU H 1 56 CYS HA . . 5.380 5.256 5.238 5.295 . 0 0 "[ . 1 . 2]" 1
691 1 55 LEU H 1 56 CYS HB3 . . 5.390 5.069 5.028 5.136 . 0 0 "[ . 1 . 2]" 1
692 1 55 LEU H 1 57 ASN H . . 5.210 4.660 4.589 4.735 . 0 0 "[ . 1 . 2]" 1
693 1 55 LEU HA 1 55 LEU MD2 . . 3.200 2.068 1.962 2.251 . 0 0 "[ . 1 . 2]" 1
694 1 55 LEU HA 1 56 CYS H . . 2.610 2.523 2.500 2.565 . 0 0 "[ . 1 . 2]" 1
695 1 55 LEU HA 1 57 ASN H . . 3.930 3.307 3.296 3.326 . 0 0 "[ . 1 . 2]" 1
696 1 55 LEU HB2 1 55 LEU MD1 . . 3.180 2.348 2.264 2.420 . 0 0 "[ . 1 . 2]" 1
697 1 55 LEU HB2 1 56 CYS H . . 4.410 4.403 4.375 4.420 0.010 3 0 "[ . 1 . 2]" 1
698 1 55 LEU HB3 1 55 LEU MD1 . . 3.500 2.354 2.285 2.439 . 0 0 "[ . 1 . 2]" 1
699 1 55 LEU HB3 1 56 CYS H . . 4.370 4.325 4.304 4.358 . 0 0 "[ . 1 . 2]" 1
700 1 55 LEU HB3 1 57 ASN H . . 5.210 4.846 4.800 4.920 . 0 0 "[ . 1 . 2]" 1
701 1 55 LEU MD2 1 56 CYS H . . 4.370 4.182 4.095 4.361 . 0 0 "[ . 1 . 2]" 1
702 1 55 LEU MD2 1 57 ASN H . . 5.240 4.660 4.567 4.820 . 0 0 "[ . 1 . 2]" 1
703 1 55 LEU HG 1 56 CYS H . . 5.390 5.228 5.128 5.272 . 0 0 "[ . 1 . 2]" 1
704 1 56 CYS H 1 56 CYS HB2 . . 3.380 2.872 2.850 2.897 . 0 0 "[ . 1 . 2]" 1
705 1 56 CYS H 1 56 CYS HB3 . . 3.050 2.498 2.491 2.511 . 0 0 "[ . 1 . 2]" 1
706 1 56 CYS H 1 57 ASN H . . 3.250 2.110 2.086 2.122 . 0 0 "[ . 1 . 2]" 1
707 1 56 CYS H 1 57 ASN HA . . 5.410 4.837 4.822 4.846 . 0 0 "[ . 1 . 2]" 1
708 1 56 CYS HB2 1 57 ASN H . . 4.250 4.163 4.154 4.169 . 0 0 "[ . 1 . 2]" 1
709 1 56 CYS HB3 1 57 ASN H . . 4.090 3.118 3.108 3.123 . 0 0 "[ . 1 . 2]" 1
710 1 57 ASN H 1 57 ASN HB2 . . 3.860 3.730 3.688 3.767 . 0 0 "[ . 1 . 2]" 1
711 1 57 ASN H 1 57 ASN QB . . 3.190 2.737 2.637 2.833 . 0 0 "[ . 1 . 2]" 1
712 1 57 ASN H 1 57 ASN HB3 . . 3.860 2.817 2.699 2.940 . 0 0 "[ . 1 . 2]" 1
713 1 57 ASN HA 1 57 ASN QD . . 4.470 4.118 4.022 4.238 . 0 0 "[ . 1 . 2]" 1
714 1 57 ASN QB 1 57 ASN QD . . 2.970 2.067 2.062 2.081 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 13, 2024 8:51:31 PM GMT (wattos1)