NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586647 |
2mj4   |
19704 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mj4
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 756
_Distance_constraint_stats_list.Viol_count 3089
_Distance_constraint_stats_list.Viol_total 4423.715
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0376
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.0716
_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 10.995 0.188 7 0 "[ . 1 . 2]"
1 2 GLU 6.137 0.188 7 0 "[ . 1 . 2]"
1 3 CYS 6.759 0.126 19 0 "[ . 1 . 2]"
1 4 HIS 7.093 0.198 12 0 "[ . 1 . 2]"
1 5 ASN 4.873 0.151 9 0 "[ . 1 . 2]"
1 6 GLN 0.268 0.161 20 0 "[ . 1 . 2]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 3.904 0.174 10 0 "[ . 1 . 2]"
1 9 SER 0.093 0.042 12 0 "[ . 1 . 2]"
1 10 GLN 5.897 0.298 20 0 "[ . 1 . 2]"
1 11 PRO 6.088 0.298 20 0 "[ . 1 . 2]"
1 12 PRO 8.532 0.221 11 0 "[ . 1 . 2]"
1 13 THR 8.123 0.221 11 0 "[ . 1 . 2]"
1 14 THR 14.144 0.192 12 0 "[ . 1 . 2]"
1 15 LYS 6.306 0.151 9 0 "[ . 1 . 2]"
1 16 THR 4.985 0.105 6 0 "[ . 1 . 2]"
1 17 CYS 2.978 0.119 7 0 "[ . 1 . 2]"
1 18 SER 0.599 0.035 12 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 7.946 0.136 17 0 "[ . 1 . 2]"
1 21 THR 10.040 0.229 16 0 "[ . 1 . 2]"
1 22 ASN 17.862 0.229 16 0 "[ . 1 . 2]"
1 23 CYS 6.794 0.139 18 0 "[ . 1 . 2]"
1 24 TYR 14.527 0.209 9 0 "[ . 1 . 2]"
1 25 LYS 7.185 0.228 11 0 "[ . 1 . 2]"
1 26 LYS 11.330 0.240 20 0 "[ . 1 . 2]"
1 27 TRP 20.880 0.228 11 0 "[ . 1 . 2]"
1 28 TRP 10.061 0.150 18 0 "[ . 1 . 2]"
1 29 SER 1.635 0.074 18 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 HIS 0.648 0.038 12 0 "[ . 1 . 2]"
1 32 ARG 0.648 0.038 12 0 "[ . 1 . 2]"
1 33 GLY 3.657 0.121 2 0 "[ . 1 . 2]"
1 34 THR 8.043 0.134 5 0 "[ . 1 . 2]"
1 35 ILE 10.256 0.191 6 0 "[ . 1 . 2]"
1 36 ILE 14.285 0.240 20 0 "[ . 1 . 2]"
1 37 GLU 1.267 0.061 10 0 "[ . 1 . 2]"
1 38 ARG 0.164 0.053 14 0 "[ . 1 . 2]"
1 39 GLY 3.444 0.105 9 0 "[ . 1 . 2]"
1 40 CYS 5.848 0.173 11 0 "[ . 1 . 2]"
1 41 GLY 2.339 0.105 15 0 "[ . 1 . 2]"
1 42 CYS 10.577 0.209 9 0 "[ . 1 . 2]"
1 43 PRO 7.991 0.166 11 0 "[ . 1 . 2]"
1 44 LYS 3.696 0.166 11 0 "[ . 1 . 2]"
1 45 VAL 6.925 0.170 18 0 "[ . 1 . 2]"
1 46 LYS 15.551 0.209 18 0 "[ . 1 . 2]"
1 47 PRO 6.724 0.175 11 0 "[ . 1 . 2]"
1 48 GLY 1.316 0.064 17 0 "[ . 1 . 2]"
1 49 VAL 12.608 0.162 6 0 "[ . 1 . 2]"
1 50 ASN 9.016 0.196 19 0 "[ . 1 . 2]"
1 51 LEU 13.936 0.176 11 0 "[ . 1 . 2]"
1 52 ASN 5.963 0.163 12 0 "[ . 1 . 2]"
1 53 CYS 7.062 0.202 18 0 "[ . 1 . 2]"
1 54 CYS 3.837 0.124 14 0 "[ . 1 . 2]"
1 55 ARG 3.088 0.075 16 0 "[ . 1 . 2]"
1 56 THR 10.996 0.166 7 0 "[ . 1 . 2]"
1 57 ASP 7.816 0.166 7 0 "[ . 1 . 2]"
1 58 ARG 6.241 0.134 7 0 "[ . 1 . 2]"
1 59 CYS 1.845 0.111 7 0 "[ . 1 . 2]"
1 60 ASN 6.685 0.171 15 0 "[ . 1 . 2]"
1 61 ASN 0.224 0.035 2 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 . . 2.710 2.421 2.278 2.442 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU MD2 . . 4.010 3.983 3.973 3.987 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 1 LEU HG . . 3.560 3.055 3.011 3.109 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 2 GLU H . . 2.310 2.227 2.211 2.237 . 0 0 "[ . 1 . 2]" 1
5 1 1 LEU HA 1 57 ASP HA . . 4.010 4.047 4.032 4.069 0.059 17 0 "[ . 1 . 2]" 1
6 1 1 LEU HB2 1 1 LEU MD1 . . 2.990 2.229 2.217 2.302 . 0 0 "[ . 1 . 2]" 1
7 1 1 LEU HB2 1 2 GLU H . . 4.160 4.109 4.086 4.143 . 0 0 "[ . 1 . 2]" 1
8 1 1 LEU HB3 1 1 LEU MD2 . . 2.760 2.235 2.037 2.263 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU HB3 1 2 GLU H . . 4.140 4.273 4.249 4.328 0.188 7 0 "[ . 1 . 2]" 1
10 1 1 LEU HB3 1 17 CYS H . . 4.270 4.280 4.219 4.311 0.041 19 0 "[ . 1 . 2]" 1
11 1 1 LEU HB3 1 17 CYS HB2 . . 3.570 3.143 3.075 3.191 . 0 0 "[ . 1 . 2]" 1
12 1 1 LEU MD1 1 2 GLU H . . 2.900 2.501 2.389 2.758 . 0 0 "[ . 1 . 2]" 1
13 1 1 LEU MD1 1 22 ASN HA . . 4.200 4.232 4.146 4.263 0.063 8 0 "[ . 1 . 2]" 1
14 1 1 LEU MD1 1 55 ARG HA . . 3.970 3.953 3.904 3.996 0.026 15 0 "[ . 1 . 2]" 1
15 1 1 LEU MD1 1 56 THR H . . 3.830 3.485 3.428 3.610 . 0 0 "[ . 1 . 2]" 1
16 1 1 LEU MD1 1 56 THR HA . . 3.900 3.057 2.988 3.121 . 0 0 "[ . 1 . 2]" 1
17 1 1 LEU MD1 1 57 ASP H . . 3.350 2.755 2.671 2.811 . 0 0 "[ . 1 . 2]" 1
18 1 1 LEU MD1 1 57 ASP HA . . 2.120 1.890 1.873 1.925 . 0 0 "[ . 1 . 2]" 1
19 1 1 LEU MD1 1 57 ASP HB3 . . 4.430 3.355 3.304 3.574 . 0 0 "[ . 1 . 2]" 1
20 1 1 LEU MD1 1 58 ARG H . . 3.870 3.725 3.669 3.780 . 0 0 "[ . 1 . 2]" 1
21 1 1 LEU MD1 1 59 CYS H . . 4.300 4.320 4.295 4.337 0.037 16 0 "[ . 1 . 2]" 1
22 1 1 LEU MD2 1 20 GLU HB2 . . 4.030 4.144 4.107 4.166 0.136 17 0 "[ . 1 . 2]" 1
23 1 1 LEU MD2 1 20 GLU HB3 . . 5.310 4.633 4.581 4.665 . 0 0 "[ . 1 . 2]" 1
24 1 1 LEU MD2 1 21 THR H . . 4.370 3.826 3.772 3.858 . 0 0 "[ . 1 . 2]" 1
25 1 1 LEU MD2 1 21 THR HA . . 3.050 1.997 1.951 2.050 . 0 0 "[ . 1 . 2]" 1
26 1 1 LEU MD2 1 22 ASN H . . 3.230 2.911 2.867 2.930 . 0 0 "[ . 1 . 2]" 1
27 1 1 LEU MD2 1 22 ASN HA . . 3.390 2.559 2.519 2.612 . 0 0 "[ . 1 . 2]" 1
28 1 1 LEU MD2 1 23 CYS H . . 3.550 3.594 3.558 3.617 0.067 16 0 "[ . 1 . 2]" 1
29 1 1 LEU MD2 1 41 GLY H . . 4.080 4.092 4.052 4.116 0.036 19 0 "[ . 1 . 2]" 1
30 1 1 LEU MD2 1 55 ARG HA . . 3.760 3.310 3.260 3.339 . 0 0 "[ . 1 . 2]" 1
31 1 1 LEU MD2 1 56 THR H . . 4.540 4.008 3.980 4.134 . 0 0 "[ . 1 . 2]" 1
32 1 1 LEU MD2 1 56 THR HA . . 4.520 4.650 4.616 4.671 0.151 15 0 "[ . 1 . 2]" 1
33 1 1 LEU HG 1 2 GLU H . . 3.280 2.810 2.745 2.970 . 0 0 "[ . 1 . 2]" 1
34 1 1 LEU HG 1 57 ASP HA . . 3.920 3.254 3.193 3.327 . 0 0 "[ . 1 . 2]" 1
35 1 1 LEU HG 1 58 ARG H . . 4.540 4.444 4.377 4.588 0.048 7 0 "[ . 1 . 2]" 1
36 1 2 GLU H 1 2 GLU QB . . 2.720 2.605 2.407 2.699 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLU H 1 57 ASP H . . 5.260 4.986 4.719 5.078 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLU H 1 57 ASP HB3 . . 4.060 3.014 2.761 3.062 . 0 0 "[ . 1 . 2]" 1
39 1 2 GLU H 1 58 ARG H . . 3.990 3.551 3.521 3.655 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLU H 1 58 ARG HG2 . . 4.510 4.585 4.557 4.644 0.134 7 0 "[ . 1 . 2]" 1
41 1 2 GLU HA 1 2 GLU QB . . 2.770 2.347 2.300 2.506 . 0 0 "[ . 1 . 2]" 1
42 1 2 GLU HA 1 3 CYS H . . 2.340 2.325 2.315 2.352 0.012 19 0 "[ . 1 . 2]" 1
43 1 2 GLU HA 1 16 THR HA . . 2.690 2.691 2.644 2.728 0.038 12 0 "[ . 1 . 2]" 1
44 1 2 GLU HA 1 16 THR MG . . 3.790 3.872 3.857 3.881 0.091 12 0 "[ . 1 . 2]" 1
45 1 2 GLU HA 1 17 CYS H . . 3.290 3.168 3.069 3.300 0.010 13 0 "[ . 1 . 2]" 1
46 1 2 GLU QB 1 3 CYS H . . 3.310 2.883 2.831 3.406 0.096 19 0 "[ . 1 . 2]" 1
47 1 2 GLU QB 1 14 THR HB . . 3.810 2.632 2.470 3.550 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLU QB 1 14 THR MG . . 3.350 3.307 3.261 3.390 0.040 19 0 "[ . 1 . 2]" 1
49 1 2 GLU QB 1 16 THR HA . . 4.220 4.039 3.945 4.247 0.027 19 0 "[ . 1 . 2]" 1
50 1 2 GLU QB 1 16 THR MG . . 4.790 4.727 4.494 4.790 . 15 0 "[ . 1 . 2]" 1
51 1 2 GLU QB 1 57 ASP HA . . 4.090 3.952 3.806 4.049 . 0 0 "[ . 1 . 2]" 1
52 1 2 GLU QB 1 57 ASP HB3 . . 3.370 3.110 2.834 3.273 . 0 0 "[ . 1 . 2]" 1
53 1 2 GLU QB 1 58 ARG H . . 3.740 3.032 2.937 3.112 . 0 0 "[ . 1 . 2]" 1
54 1 2 GLU QB 1 58 ARG HG2 . . 3.910 2.411 2.288 2.543 . 0 0 "[ . 1 . 2]" 1
55 1 2 GLU QB 1 58 ARG HG3 . . 3.570 3.053 2.935 3.144 . 0 0 "[ . 1 . 2]" 1
56 1 3 CYS H 1 3 CYS HB2 . . 3.180 2.896 2.873 2.929 . 0 0 "[ . 1 . 2]" 1
57 1 3 CYS H 1 3 CYS HB3 . . 4.010 3.882 3.875 3.900 . 0 0 "[ . 1 . 2]" 1
58 1 3 CYS H 1 14 THR HB . . 3.820 3.914 3.861 3.946 0.126 19 0 "[ . 1 . 2]" 1
59 1 3 CYS H 1 14 THR MG . . 4.160 4.199 4.173 4.237 0.077 19 0 "[ . 1 . 2]" 1
60 1 3 CYS H 1 16 THR HA . . 3.900 3.984 3.952 4.005 0.105 6 0 "[ . 1 . 2]" 1
61 1 3 CYS HA 1 3 CYS HB3 . . 2.890 2.377 2.371 2.388 . 0 0 "[ . 1 . 2]" 1
62 1 3 CYS HA 1 4 HIS H . . 2.780 2.280 2.276 2.295 . 0 0 "[ . 1 . 2]" 1
63 1 3 CYS HA 1 23 CYS HB3 . . 3.800 3.218 3.155 3.277 . 0 0 "[ . 1 . 2]" 1
64 1 3 CYS HA 1 58 ARG H . . 3.320 2.867 2.633 2.926 . 0 0 "[ . 1 . 2]" 1
65 1 3 CYS HA 1 58 ARG HA . . 3.280 2.746 2.667 2.777 . 0 0 "[ . 1 . 2]" 1
66 1 3 CYS HA 1 59 CYS H . . 4.620 3.826 3.708 3.869 . 0 0 "[ . 1 . 2]" 1
67 1 3 CYS HA 1 60 ASN HD22 . . 3.820 3.658 3.311 3.829 0.009 19 0 "[ . 1 . 2]" 1
68 1 3 CYS HB2 1 4 HIS H . . 4.020 3.960 3.909 3.990 . 0 0 "[ . 1 . 2]" 1
69 1 3 CYS HB2 1 23 CYS HB3 . . 3.970 3.666 3.634 3.677 . 0 0 "[ . 1 . 2]" 1
70 1 3 CYS HB2 1 39 GLY HA2 . . 3.750 3.820 3.782 3.849 0.099 4 0 "[ . 1 . 2]" 1
71 1 3 CYS HB2 1 40 CYS HA . . 3.690 2.358 2.306 2.424 . 0 0 "[ . 1 . 2]" 1
72 1 3 CYS HB2 1 60 ASN HD22 . . 3.840 3.141 2.828 3.248 . 0 0 "[ . 1 . 2]" 1
73 1 3 CYS HB3 1 4 HIS H . . 3.270 3.127 3.071 3.143 . 0 0 "[ . 1 . 2]" 1
74 1 3 CYS HB3 1 23 CYS HA . . 2.980 3.012 2.962 3.059 0.079 19 0 "[ . 1 . 2]" 1
75 1 3 CYS HB3 1 23 CYS HB2 . . 3.630 3.643 3.634 3.653 0.023 20 0 "[ . 1 . 2]" 1
76 1 3 CYS HB3 1 23 CYS HB3 . . 3.170 1.985 1.973 1.994 . 0 0 "[ . 1 . 2]" 1
77 1 3 CYS HB3 1 40 CYS HA . . 3.990 2.964 2.915 3.017 . 0 0 "[ . 1 . 2]" 1
78 1 3 CYS HB3 1 60 ASN HD21 . . 3.670 3.318 3.023 3.463 . 0 0 "[ . 1 . 2]" 1
79 1 3 CYS HB3 1 60 ASN HD22 . . 3.090 2.303 2.021 2.430 . 0 0 "[ . 1 . 2]" 1
80 1 4 HIS H 1 4 HIS HB2 . . 2.810 2.185 2.170 2.201 . 0 0 "[ . 1 . 2]" 1
81 1 4 HIS H 1 4 HIS HB3 . . 3.500 3.470 3.462 3.479 . 0 0 "[ . 1 . 2]" 1
82 1 4 HIS H 1 4 HIS HD2 . . 3.870 2.897 2.768 2.992 . 0 0 "[ . 1 . 2]" 1
83 1 4 HIS H 1 58 ARG HA . . 3.410 2.870 2.769 2.917 . 0 0 "[ . 1 . 2]" 1
84 1 4 HIS H 1 60 ASN H . . 4.360 3.450 3.366 3.537 . 0 0 "[ . 1 . 2]" 1
85 1 4 HIS H 1 60 ASN HD21 . . 3.940 3.931 3.736 3.985 0.045 14 0 "[ . 1 . 2]" 1
86 1 4 HIS H 1 60 ASN HD22 . . 3.080 2.678 2.483 2.738 . 0 0 "[ . 1 . 2]" 1
87 1 4 HIS HA 1 4 HIS HB3 . . 2.790 2.651 2.644 2.656 . 0 0 "[ . 1 . 2]" 1
88 1 4 HIS HA 1 5 ASN H . . 2.450 2.274 2.235 2.346 . 0 0 "[ . 1 . 2]" 1
89 1 4 HIS HA 1 6 GLN H . . 3.920 3.641 3.553 3.784 . 0 0 "[ . 1 . 2]" 1
90 1 4 HIS HA 1 14 THR HA . . 2.480 2.003 1.964 2.082 . 0 0 "[ . 1 . 2]" 1
91 1 4 HIS HA 1 14 THR MG . . 2.760 2.478 2.396 2.561 . 0 0 "[ . 1 . 2]" 1
92 1 4 HIS HA 1 15 LYS H . . 3.960 3.770 3.714 3.835 . 0 0 "[ . 1 . 2]" 1
93 1 4 HIS HB2 1 4 HIS HD2 . . 3.310 2.838 2.812 2.876 . 0 0 "[ . 1 . 2]" 1
94 1 4 HIS HB2 1 60 ASN HD22 . . 3.500 3.361 3.286 3.407 . 0 0 "[ . 1 . 2]" 1
95 1 4 HIS HB2 1 61 ASN HA . . 3.770 2.317 2.206 2.454 . 0 0 "[ . 1 . 2]" 1
96 1 4 HIS HB3 1 5 ASN H . . 3.340 3.104 2.868 3.254 . 0 0 "[ . 1 . 2]" 1
97 1 4 HIS HB3 1 6 GLN H . . 3.530 2.606 2.548 2.651 . 0 0 "[ . 1 . 2]" 1
98 1 4 HIS HD2 1 58 ARG H . . 4.840 4.409 4.337 4.446 . 0 0 "[ . 1 . 2]" 1
99 1 4 HIS HD2 1 58 ARG HA . . 3.090 2.237 2.166 2.273 . 0 0 "[ . 1 . 2]" 1
100 1 4 HIS HD2 1 58 ARG HB2 . . 3.640 3.654 3.565 3.709 0.069 17 0 "[ . 1 . 2]" 1
101 1 4 HIS HD2 1 58 ARG HB3 . . 3.370 2.273 2.236 2.292 . 0 0 "[ . 1 . 2]" 1
102 1 4 HIS HD2 1 58 ARG HG2 . . 4.540 3.990 3.903 4.046 . 0 0 "[ . 1 . 2]" 1
103 1 4 HIS HD2 1 60 ASN H . . 3.610 3.746 3.705 3.781 0.171 15 0 "[ . 1 . 2]" 1
104 1 4 HIS HD2 1 61 ASN H . . 3.640 3.631 3.517 3.675 0.035 2 0 "[ . 1 . 2]" 1
105 1 4 HIS HD2 1 61 ASN HA . . 3.430 2.906 2.609 3.139 . 0 0 "[ . 1 . 2]" 1
106 1 4 HIS HE1 1 12 PRO HB2 . . 3.160 3.328 3.296 3.358 0.198 12 0 "[ . 1 . 2]" 1
107 1 4 HIS HE1 1 12 PRO HB3 . . 3.220 2.856 2.578 2.968 . 0 0 "[ . 1 . 2]" 1
108 1 4 HIS HE1 1 14 THR MG . . 3.710 3.017 2.941 3.154 . 0 0 "[ . 1 . 2]" 1
109 1 4 HIS HE1 1 58 ARG HD3 . . 4.240 3.972 3.865 4.128 . 0 0 "[ . 1 . 2]" 1
110 1 5 ASN H 1 5 ASN HB2 . . 3.810 3.784 3.740 3.851 0.041 9 0 "[ . 1 . 2]" 1
111 1 5 ASN H 1 5 ASN HB3 . . 3.520 2.871 2.802 3.044 . 0 0 "[ . 1 . 2]" 1
112 1 5 ASN H 1 6 GLN H . . 2.570 2.114 1.982 2.236 . 0 0 "[ . 1 . 2]" 1
113 1 5 ASN H 1 13 THR H . . 3.890 3.388 3.144 3.618 . 0 0 "[ . 1 . 2]" 1
114 1 5 ASN H 1 13 THR HB . . 4.170 3.795 3.435 4.005 . 0 0 "[ . 1 . 2]" 1
115 1 5 ASN H 1 14 THR HA . . 2.930 2.797 2.624 2.954 0.024 16 0 "[ . 1 . 2]" 1
116 1 5 ASN H 1 14 THR MG . . 3.880 3.916 3.884 3.965 0.085 20 0 "[ . 1 . 2]" 1
117 1 5 ASN HA 1 5 ASN HB2 . . 2.880 2.398 2.390 2.418 . 0 0 "[ . 1 . 2]" 1
118 1 5 ASN HA 1 5 ASN HB3 . . 2.820 2.602 2.577 2.612 . 0 0 "[ . 1 . 2]" 1
119 1 5 ASN HA 1 6 GLN H . . 3.470 3.189 3.148 3.233 . 0 0 "[ . 1 . 2]" 1
120 1 5 ASN HA 1 39 GLY HA2 . . 3.460 2.794 2.659 3.094 . 0 0 "[ . 1 . 2]" 1
121 1 5 ASN HB2 1 39 GLY HA2 . . 3.540 3.610 3.575 3.645 0.105 9 0 "[ . 1 . 2]" 1
122 1 5 ASN HB3 1 6 GLN H . . 4.930 4.410 4.362 4.472 . 0 0 "[ . 1 . 2]" 1
123 1 5 ASN HB3 1 15 LYS H . . 3.880 3.999 3.951 4.031 0.151 9 0 "[ . 1 . 2]" 1
124 1 5 ASN HB3 1 39 GLY HA2 . . 3.530 3.510 3.290 3.561 0.031 6 0 "[ . 1 . 2]" 1
125 1 6 GLN H 1 13 THR H . . 3.630 2.907 2.741 3.048 . 0 0 "[ . 1 . 2]" 1
126 1 6 GLN H 1 14 THR HA . . 4.910 4.755 4.620 4.876 . 0 0 "[ . 1 . 2]" 1
127 1 6 GLN H 1 38 ARG HB2 . . 4.060 3.361 2.970 3.799 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLN HA 1 7 GLN H . . 2.440 2.290 2.240 2.316 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLN HE21 1 12 PRO HA . . 3.770 2.322 1.876 2.635 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLN HE21 1 12 PRO HB3 . . 4.180 2.609 2.092 4.193 0.013 20 0 "[ . 1 . 2]" 1
131 1 6 GLN HE21 1 12 PRO HG3 . . 3.880 3.581 2.377 3.879 . 0 0 "[ . 1 . 2]" 1
132 1 6 GLN HE21 1 13 THR H . . 3.920 3.265 3.008 4.081 0.161 20 0 "[ . 1 . 2]" 1
133 1 6 GLN HE22 1 12 PRO HA . . 3.640 2.803 2.413 3.075 . 0 0 "[ . 1 . 2]" 1
134 1 6 GLN HE22 1 12 PRO HB3 . . 3.960 2.463 2.168 3.907 . 0 0 "[ . 1 . 2]" 1
135 1 7 GLN H 1 10 GLN HB2 . . 3.680 2.452 2.189 2.988 . 0 0 "[ . 1 . 2]" 1
136 1 7 GLN H 1 10 GLN HB3 . . 4.600 3.910 3.534 4.488 . 0 0 "[ . 1 . 2]" 1
137 1 7 GLN HA 1 8 SER H . . 2.860 2.398 2.242 2.479 . 0 0 "[ . 1 . 2]" 1
138 1 7 GLN HA 1 36 ILE HB . . 3.780 3.468 3.232 3.736 . 0 0 "[ . 1 . 2]" 1
139 1 8 SER H 1 8 SER HA . . 2.560 2.202 2.171 2.215 . 0 0 "[ . 1 . 2]" 1
140 1 8 SER H 1 8 SER HB2 . . 3.650 3.586 3.515 3.685 0.035 10 0 "[ . 1 . 2]" 1
141 1 8 SER H 1 35 ILE MG . . 4.370 3.925 3.819 4.005 . 0 0 "[ . 1 . 2]" 1
142 1 8 SER H 1 36 ILE H . . 3.080 2.146 2.082 2.223 . 0 0 "[ . 1 . 2]" 1
143 1 8 SER H 1 36 ILE HB . . 2.760 2.170 1.909 2.234 . 0 0 "[ . 1 . 2]" 1
144 1 8 SER H 1 36 ILE MD . . 3.870 3.892 3.773 3.944 0.074 12 0 "[ . 1 . 2]" 1
145 1 8 SER H 1 36 ILE MG . . 3.640 3.670 3.450 3.742 0.102 8 0 "[ . 1 . 2]" 1
146 1 8 SER HA 1 8 SER HB3 . . 2.700 2.423 2.405 2.455 . 0 0 "[ . 1 . 2]" 1
147 1 8 SER HA 1 9 SER H . . 3.260 3.250 3.219 3.302 0.042 12 0 "[ . 1 . 2]" 1
148 1 8 SER HA 1 36 ILE H . . 3.010 2.422 2.247 2.638 . 0 0 "[ . 1 . 2]" 1
149 1 8 SER HA 1 36 ILE HB . . 2.590 2.224 2.113 2.448 . 0 0 "[ . 1 . 2]" 1
150 1 8 SER HA 1 36 ILE MD . . 3.450 2.616 2.478 2.840 . 0 0 "[ . 1 . 2]" 1
151 1 8 SER HA 1 36 ILE HG12 . . 3.590 3.658 3.585 3.764 0.174 10 0 "[ . 1 . 2]" 1
152 1 8 SER HA 1 36 ILE HG13 . . 3.380 2.046 1.997 2.100 . 0 0 "[ . 1 . 2]" 1
153 1 8 SER HA 1 36 ILE MG . . 4.210 3.832 3.741 4.026 . 0 0 "[ . 1 . 2]" 1
154 1 8 SER HB2 1 10 GLN H . . 4.130 2.513 2.321 2.798 . 0 0 "[ . 1 . 2]" 1
155 1 8 SER HB3 1 9 SER H . . 2.400 2.006 1.961 2.030 . 0 0 "[ . 1 . 2]" 1
156 1 8 SER HB3 1 36 ILE H . . 3.870 3.923 3.878 3.970 0.100 10 0 "[ . 1 . 2]" 1
157 1 9 SER H 1 10 GLN H . . 2.820 2.436 2.196 2.724 . 0 0 "[ . 1 . 2]" 1
158 1 9 SER HA 1 10 GLN H . . 3.550 3.270 3.082 3.334 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLN H 1 10 GLN HB2 . . 2.740 2.722 2.589 2.811 0.071 2 0 "[ . 1 . 2]" 1
160 1 10 GLN H 1 10 GLN HB3 . . 3.530 3.538 3.520 3.558 0.028 16 0 "[ . 1 . 2]" 1
161 1 10 GLN HA 1 10 GLN HB3 . . 2.850 2.437 2.409 2.497 . 0 0 "[ . 1 . 2]" 1
162 1 10 GLN HA 1 11 PRO HD2 . . 3.210 3.098 3.082 3.113 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLN HA 1 11 PRO HD3 . . 2.380 1.994 1.981 2.007 . 0 0 "[ . 1 . 2]" 1
164 1 10 GLN HA 1 11 PRO HG3 . . 4.930 4.033 4.025 4.041 . 0 0 "[ . 1 . 2]" 1
165 1 10 GLN HB2 1 11 PRO HD2 . . 3.020 3.076 3.017 3.218 0.198 20 0 "[ . 1 . 2]" 1
166 1 10 GLN HB2 1 11 PRO HD3 . . 3.530 3.739 3.701 3.828 0.298 20 0 "[ . 1 . 2]" 1
167 1 10 GLN HB3 1 11 PRO HD2 . . 2.840 1.762 1.713 1.808 . 0 0 "[ . 1 . 2]" 1
168 1 10 GLN HB3 1 11 PRO HD3 . . 3.390 2.395 2.371 2.440 . 0 0 "[ . 1 . 2]" 1
169 1 11 PRO HA 1 12 PRO HD2 . . 2.720 2.507 2.470 2.646 . 0 0 "[ . 1 . 2]" 1
170 1 11 PRO HA 1 12 PRO HD3 . . 2.550 1.798 1.779 1.814 . 0 0 "[ . 1 . 2]" 1
171 1 11 PRO HA 1 12 PRO HG3 . . 4.670 4.018 3.976 4.038 . 0 0 "[ . 1 . 2]" 1
172 1 11 PRO HB3 1 12 PRO HD2 . . 3.680 3.299 2.940 3.414 . 0 0 "[ . 1 . 2]" 1
173 1 11 PRO HB3 1 12 PRO HD3 . . 3.740 3.757 3.447 3.850 0.110 17 0 "[ . 1 . 2]" 1
174 1 12 PRO HA 1 13 THR H . . 2.400 2.269 2.268 2.271 . 0 0 "[ . 1 . 2]" 1
175 1 12 PRO HA 1 13 THR MG . . 4.120 3.966 3.947 4.000 . 0 0 "[ . 1 . 2]" 1
176 1 12 PRO HB2 1 13 THR H . . 4.000 4.081 4.052 4.140 0.140 11 0 "[ . 1 . 2]" 1
177 1 12 PRO HB3 1 13 THR H . . 3.620 3.757 3.717 3.841 0.221 11 0 "[ . 1 . 2]" 1
178 1 13 THR H 1 13 THR HB . . 3.800 3.676 3.665 3.684 . 0 0 "[ . 1 . 2]" 1
179 1 13 THR H 1 13 THR MG . . 3.210 3.153 3.143 3.161 . 0 0 "[ . 1 . 2]" 1
180 1 13 THR H 1 14 THR MG . . 4.400 4.038 3.954 4.181 . 0 0 "[ . 1 . 2]" 1
181 1 13 THR HA 1 13 THR HB . . 2.750 2.642 2.639 2.644 . 0 0 "[ . 1 . 2]" 1
182 1 13 THR HA 1 13 THR MG . . 2.770 2.357 2.344 2.360 . 0 0 "[ . 1 . 2]" 1
183 1 13 THR HA 1 14 THR H . . 2.890 2.557 2.500 2.569 . 0 0 "[ . 1 . 2]" 1
184 1 13 THR HA 1 14 THR MG . . 4.010 3.502 3.484 3.693 . 0 0 "[ . 1 . 2]" 1
185 1 13 THR HB 1 14 THR H . . 2.440 2.344 2.321 2.465 0.025 12 0 "[ . 1 . 2]" 1
186 1 13 THR MG 1 14 THR H . . 3.330 3.504 3.498 3.522 0.192 12 0 "[ . 1 . 2]" 1
187 1 14 THR H 1 14 THR HB . . 3.590 3.753 3.718 3.763 0.173 12 0 "[ . 1 . 2]" 1
188 1 14 THR H 1 14 THR MG . . 3.370 3.262 3.241 3.319 . 0 0 "[ . 1 . 2]" 1
189 1 14 THR HA 1 14 THR HB . . 2.700 2.641 2.639 2.651 . 0 0 "[ . 1 . 2]" 1
190 1 14 THR HA 1 14 THR MG . . 2.890 2.357 2.227 2.369 . 0 0 "[ . 1 . 2]" 1
191 1 14 THR HA 1 15 LYS H . . 2.490 2.369 2.359 2.377 . 0 0 "[ . 1 . 2]" 1
192 1 14 THR HB 1 15 LYS H . . 2.660 2.764 2.742 2.789 0.129 2 0 "[ . 1 . 2]" 1
193 1 14 THR MG 1 15 LYS H . . 3.530 3.622 3.612 3.642 0.112 19 0 "[ . 1 . 2]" 1
194 1 14 THR MG 1 58 ARG HD2 . . 3.910 3.487 3.327 3.623 . 0 0 "[ . 1 . 2]" 1
195 1 14 THR MG 1 58 ARG HD3 . . 3.600 2.157 1.908 2.294 . 0 0 "[ . 1 . 2]" 1
196 1 15 LYS HA 1 16 THR H . . 2.590 2.321 2.315 2.326 . 0 0 "[ . 1 . 2]" 1
197 1 16 THR H 1 16 THR HB . . 2.560 2.634 2.620 2.643 0.083 12 0 "[ . 1 . 2]" 1
198 1 16 THR H 1 16 THR MG . . 3.770 3.662 3.659 3.669 . 0 0 "[ . 1 . 2]" 1
199 1 16 THR HA 1 16 THR MG . . 2.780 2.122 2.118 2.130 . 0 0 "[ . 1 . 2]" 1
200 1 16 THR HA 1 17 CYS H . . 2.370 2.178 2.163 2.202 . 0 0 "[ . 1 . 2]" 1
201 1 16 THR MG 1 17 CYS H . . 2.930 2.785 2.676 2.872 . 0 0 "[ . 1 . 2]" 1
202 1 17 CYS H 1 17 CYS HB2 . . 2.870 2.704 2.698 2.708 . 0 0 "[ . 1 . 2]" 1
203 1 17 CYS H 1 17 CYS HB3 . . 3.710 3.611 3.589 3.639 . 0 0 "[ . 1 . 2]" 1
204 1 17 CYS HA 1 18 SER H . . 2.680 2.224 2.223 2.225 . 0 0 "[ . 1 . 2]" 1
205 1 17 CYS HB2 1 18 SER H . . 4.160 4.138 4.135 4.143 . 0 0 "[ . 1 . 2]" 1
206 1 17 CYS HB2 1 20 GLU H . . 3.930 3.732 3.716 3.743 . 0 0 "[ . 1 . 2]" 1
207 1 17 CYS HB2 1 20 GLU HB2 . . 3.730 3.050 2.975 3.098 . 0 0 "[ . 1 . 2]" 1
208 1 17 CYS HB3 1 18 SER H . . 3.460 3.490 3.485 3.495 0.035 12 0 "[ . 1 . 2]" 1
209 1 17 CYS HB3 1 20 GLU H . . 3.510 3.445 3.428 3.462 . 0 0 "[ . 1 . 2]" 1
210 1 17 CYS HB3 1 20 GLU HB2 . . 3.130 1.841 1.832 1.859 . 0 0 "[ . 1 . 2]" 1
211 1 17 CYS HB3 1 20 GLU HB3 . . 3.400 3.505 3.497 3.519 0.119 7 0 "[ . 1 . 2]" 1
212 1 17 CYS HB3 1 40 CYS HB3 . . 3.260 1.968 1.959 1.979 . 0 0 "[ . 1 . 2]" 1
213 1 18 SER H 1 20 GLU H . . 3.980 3.502 3.482 3.532 . 0 0 "[ . 1 . 2]" 1
214 1 18 SER H 1 40 CYS HB3 . . 5.060 3.867 3.806 3.920 . 0 0 "[ . 1 . 2]" 1
215 1 18 SER HA 1 19 GLY H . . 2.780 2.216 2.215 2.216 . 0 0 "[ . 1 . 2]" 1
216 1 19 GLY H 1 19 GLY HA2 . . 2.860 2.269 2.267 2.274 . 0 0 "[ . 1 . 2]" 1
217 1 19 GLY H 1 20 GLU H . . 3.060 2.758 2.743 2.771 . 0 0 "[ . 1 . 2]" 1
218 1 19 GLY HA3 1 20 GLU H . . 3.570 3.247 3.232 3.260 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLU H 1 20 GLU HB2 . . 2.830 2.727 2.718 2.735 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLU H 1 20 GLU HB3 . . 3.760 3.691 3.689 3.692 . 0 0 "[ . 1 . 2]" 1
221 1 20 GLU H 1 21 THR H . . 4.470 4.563 4.557 4.566 0.096 7 0 "[ . 1 . 2]" 1
222 1 20 GLU HA 1 20 GLU HB3 . . 2.850 2.388 2.384 2.392 . 0 0 "[ . 1 . 2]" 1
223 1 20 GLU HA 1 21 THR H . . 2.550 2.445 2.419 2.480 . 0 0 "[ . 1 . 2]" 1
224 1 20 GLU HA 1 22 ASN H . . 3.860 3.945 3.914 3.983 0.123 14 0 "[ . 1 . 2]" 1
225 1 20 GLU HB2 1 21 THR H . . 4.010 3.491 3.410 3.552 . 0 0 "[ . 1 . 2]" 1
226 1 20 GLU HB2 1 22 ASN H . . 4.100 3.388 3.362 3.406 . 0 0 "[ . 1 . 2]" 1
227 1 20 GLU HB2 1 40 CYS HB3 . . 3.150 2.875 2.837 2.921 . 0 0 "[ . 1 . 2]" 1
228 1 20 GLU HB2 1 41 GLY H . . 4.020 3.226 3.205 3.259 . 0 0 "[ . 1 . 2]" 1
229 1 20 GLU HB3 1 21 THR H . . 3.030 2.679 2.606 2.731 . 0 0 "[ . 1 . 2]" 1
230 1 20 GLU HB3 1 22 ASN H . . 3.040 2.786 2.775 2.795 . 0 0 "[ . 1 . 2]" 1
231 1 20 GLU HB3 1 41 GLY H . . 3.540 3.220 3.190 3.254 . 0 0 "[ . 1 . 2]" 1
232 1 20 GLU HB3 1 41 GLY HA2 . . 3.150 2.000 1.978 2.042 . 0 0 "[ . 1 . 2]" 1
233 1 20 GLU HB3 1 41 GLY HA3 . . 3.880 3.248 3.200 3.292 . 0 0 "[ . 1 . 2]" 1
234 1 21 THR H 1 21 THR MG . . 2.960 3.127 3.117 3.135 0.175 12 0 "[ . 1 . 2]" 1
235 1 21 THR H 1 22 ASN H . . 2.460 1.979 1.931 2.019 . 0 0 "[ . 1 . 2]" 1
236 1 21 THR H 1 22 ASN HB2 . . 3.850 3.804 3.772 3.834 . 0 0 "[ . 1 . 2]" 1
237 1 21 THR H 1 22 ASN HD21 . . 4.280 2.435 2.406 2.459 . 0 0 "[ . 1 . 2]" 1
238 1 21 THR HA 1 21 THR MG . . 2.580 2.387 2.377 2.399 . 0 0 "[ . 1 . 2]" 1
239 1 21 THR HA 1 22 ASN H . . 3.110 3.131 3.125 3.137 0.027 2 0 "[ . 1 . 2]" 1
240 1 21 THR HB 1 22 ASN HD21 . . 4.280 4.495 4.483 4.509 0.229 16 0 "[ . 1 . 2]" 1
241 1 21 THR HB 1 22 ASN HD22 . . 4.270 4.230 4.202 4.267 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR MG 1 22 ASN H . . 4.360 4.365 4.352 4.375 0.015 20 0 "[ . 1 . 2]" 1
243 1 21 THR MG 1 22 ASN HD21 . . 4.880 4.676 4.635 4.714 . 0 0 "[ . 1 . 2]" 1
244 1 21 THR MG 1 22 ASN HD22 . . 5.030 4.792 4.759 4.827 . 0 0 "[ . 1 . 2]" 1
245 1 22 ASN H 1 22 ASN HB2 . . 2.910 2.699 2.690 2.707 . 0 0 "[ . 1 . 2]" 1
246 1 22 ASN H 1 22 ASN HD21 . . 4.440 2.686 2.667 2.705 . 0 0 "[ . 1 . 2]" 1
247 1 22 ASN H 1 22 ASN HD22 . . 4.020 4.111 4.098 4.125 0.105 19 0 "[ . 1 . 2]" 1
248 1 22 ASN H 1 23 CYS H . . 4.440 4.429 4.425 4.432 . 0 0 "[ . 1 . 2]" 1
249 1 22 ASN H 1 41 GLY H . . 3.570 3.367 3.302 3.397 . 0 0 "[ . 1 . 2]" 1
250 1 22 ASN H 1 41 GLY HA2 . . 3.910 3.211 3.168 3.242 . 0 0 "[ . 1 . 2]" 1
251 1 22 ASN HA 1 22 ASN HB3 . . 2.950 2.534 2.531 2.537 . 0 0 "[ . 1 . 2]" 1
252 1 22 ASN HA 1 22 ASN HD21 . . 4.190 3.777 3.762 3.789 . 0 0 "[ . 1 . 2]" 1
253 1 22 ASN HA 1 22 ASN HD22 . . 4.540 4.317 4.307 4.325 . 0 0 "[ . 1 . 2]" 1
254 1 22 ASN HA 1 23 CYS H . . 2.540 2.445 2.439 2.456 . 0 0 "[ . 1 . 2]" 1
255 1 22 ASN HA 1 54 CYS H . . 4.180 4.216 4.201 4.234 0.054 11 0 "[ . 1 . 2]" 1
256 1 22 ASN HA 1 55 ARG HA . . 2.930 2.372 2.342 2.394 . 0 0 "[ . 1 . 2]" 1
257 1 22 ASN HA 1 55 ARG HG2 . . 3.760 3.694 3.645 3.759 . 0 0 "[ . 1 . 2]" 1
258 1 22 ASN HB2 1 22 ASN HD21 . . 3.550 2.282 2.276 2.288 . 0 0 "[ . 1 . 2]" 1
259 1 22 ASN HB2 1 23 CYS H . . 3.810 3.788 3.769 3.803 . 0 0 "[ . 1 . 2]" 1
260 1 22 ASN HB2 1 41 GLY HA2 . . 3.680 3.367 3.323 3.402 . 0 0 "[ . 1 . 2]" 1
261 1 22 ASN HB2 1 42 CYS HB2 . . 2.960 2.702 2.680 2.735 . 0 0 "[ . 1 . 2]" 1
262 1 22 ASN HB2 1 42 CYS HB3 . . 3.880 3.410 3.383 3.433 . 0 0 "[ . 1 . 2]" 1
263 1 22 ASN HB2 1 53 CYS HB3 . . 4.070 4.136 4.115 4.161 0.091 13 0 "[ . 1 . 2]" 1
264 1 22 ASN HB2 1 54 CYS H . . 4.770 4.728 4.710 4.769 . 0 0 "[ . 1 . 2]" 1
265 1 22 ASN HB3 1 23 CYS H . . 3.040 2.676 2.650 2.691 . 0 0 "[ . 1 . 2]" 1
266 1 22 ASN HB3 1 42 CYS HB2 . . 2.830 2.883 2.860 2.897 0.067 19 0 "[ . 1 . 2]" 1
267 1 22 ASN HB3 1 53 CYS HA . . 4.180 4.321 4.293 4.342 0.162 2 0 "[ . 1 . 2]" 1
268 1 22 ASN HB3 1 53 CYS HB3 . . 3.360 3.046 3.019 3.068 . 0 0 "[ . 1 . 2]" 1
269 1 22 ASN HB3 1 54 CYS H . . 3.880 3.102 3.083 3.145 . 0 0 "[ . 1 . 2]" 1
270 1 22 ASN HD21 1 42 CYS HB2 . . 4.500 4.569 4.546 4.589 0.089 20 0 "[ . 1 . 2]" 1
271 1 22 ASN HD21 1 42 CYS HB3 . . 4.470 4.545 4.525 4.555 0.085 7 0 "[ . 1 . 2]" 1
272 1 22 ASN HD21 1 55 ARG HG2 . . 4.660 4.460 4.432 4.494 . 0 0 "[ . 1 . 2]" 1
273 1 22 ASN HD21 1 55 ARG HG3 . . 5.320 5.222 5.208 5.242 . 0 0 "[ . 1 . 2]" 1
274 1 22 ASN HD22 1 55 ARG HG2 . . 4.580 3.419 3.395 3.434 . 0 0 "[ . 1 . 2]" 1
275 1 22 ASN HD22 1 55 ARG HG3 . . 4.900 4.436 4.426 4.448 . 0 0 "[ . 1 . 2]" 1
276 1 23 CYS H 1 23 CYS HB2 . . 3.090 2.661 2.646 2.682 . 0 0 "[ . 1 . 2]" 1
277 1 23 CYS H 1 23 CYS HB3 . . 3.910 3.751 3.748 3.757 . 0 0 "[ . 1 . 2]" 1
278 1 23 CYS H 1 53 CYS HA . . 4.900 4.170 4.134 4.195 . 0 0 "[ . 1 . 2]" 1
279 1 23 CYS H 1 53 CYS HB3 . . 4.690 4.446 4.409 4.494 . 0 0 "[ . 1 . 2]" 1
280 1 23 CYS H 1 54 CYS H . . 3.130 2.460 2.439 2.488 . 0 0 "[ . 1 . 2]" 1
281 1 23 CYS H 1 55 ARG HA . . 3.630 3.540 3.506 3.564 . 0 0 "[ . 1 . 2]" 1
282 1 23 CYS HA 1 23 CYS HB3 . . 2.460 2.423 2.409 2.434 . 0 0 "[ . 1 . 2]" 1
283 1 23 CYS HA 1 24 TYR H . . 2.710 2.280 2.274 2.289 . 0 0 "[ . 1 . 2]" 1
284 1 23 CYS HA 1 24 TYR QD . . 3.570 3.659 3.628 3.709 0.139 18 0 "[ . 1 . 2]" 1
285 1 23 CYS HA 1 40 CYS HA . . 2.830 2.778 2.725 2.827 . 0 0 "[ . 1 . 2]" 1
286 1 23 CYS HA 1 41 GLY H . . 3.180 2.799 2.742 2.848 . 0 0 "[ . 1 . 2]" 1
287 1 23 CYS HB2 1 24 TYR H . . 3.960 4.037 4.022 4.052 0.092 18 0 "[ . 1 . 2]" 1
288 1 23 CYS HB2 1 54 CYS H . . 3.990 3.771 3.703 3.812 . 0 0 "[ . 1 . 2]" 1
289 1 23 CYS HB2 1 60 ASN H . . 4.290 2.966 2.926 3.045 . 0 0 "[ . 1 . 2]" 1
290 1 23 CYS HB2 1 60 ASN HB3 . . 2.970 2.414 2.318 2.570 . 0 0 "[ . 1 . 2]" 1
291 1 23 CYS HB3 1 24 TYR H . . 3.130 3.111 3.074 3.136 0.006 18 0 "[ . 1 . 2]" 1
292 1 23 CYS HB3 1 60 ASN H . . 4.300 3.080 3.009 3.114 . 0 0 "[ . 1 . 2]" 1
293 1 23 CYS HB3 1 60 ASN HB2 . . 3.420 3.504 3.456 3.558 0.138 17 0 "[ . 1 . 2]" 1
294 1 23 CYS HB3 1 60 ASN HB3 . . 3.060 2.275 2.190 2.361 . 0 0 "[ . 1 . 2]" 1
295 1 23 CYS HB3 1 60 ASN HD21 . . 3.680 3.341 3.212 3.519 . 0 0 "[ . 1 . 2]" 1
296 1 23 CYS HB3 1 60 ASN HD22 . . 3.650 3.249 3.134 3.422 . 0 0 "[ . 1 . 2]" 1
297 1 24 TYR H 1 24 TYR HB2 . . 3.930 3.648 3.636 3.658 . 0 0 "[ . 1 . 2]" 1
298 1 24 TYR H 1 24 TYR HB3 . . 3.470 2.661 2.637 2.707 . 0 0 "[ . 1 . 2]" 1
299 1 24 TYR H 1 24 TYR QD . . 3.060 2.377 2.313 2.482 . 0 0 "[ . 1 . 2]" 1
300 1 24 TYR H 1 39 GLY H . . 3.480 3.356 3.279 3.402 . 0 0 "[ . 1 . 2]" 1
301 1 24 TYR H 1 40 CYS HA . . 4.030 3.554 3.509 3.612 . 0 0 "[ . 1 . 2]" 1
302 1 24 TYR H 1 42 CYS HA . . 4.340 4.362 4.345 4.383 0.043 19 0 "[ . 1 . 2]" 1
303 1 24 TYR H 1 60 ASN HB3 . . 4.130 3.570 3.400 3.672 . 0 0 "[ . 1 . 2]" 1
304 1 24 TYR H 1 60 ASN HD21 . . 3.620 3.187 3.104 3.239 . 0 0 "[ . 1 . 2]" 1
305 1 24 TYR H 1 60 ASN HD22 . . 3.870 3.957 3.937 3.970 0.100 9 0 "[ . 1 . 2]" 1
306 1 24 TYR HA 1 24 TYR HB2 . . 2.670 2.425 2.419 2.443 . 0 0 "[ . 1 . 2]" 1
307 1 24 TYR HA 1 24 TYR HB3 . . 2.780 2.639 2.617 2.647 . 0 0 "[ . 1 . 2]" 1
308 1 24 TYR HA 1 24 TYR QD . . 3.720 3.733 3.727 3.737 0.017 19 0 "[ . 1 . 2]" 1
309 1 24 TYR HA 1 25 LYS H . . 2.470 2.342 2.320 2.356 . 0 0 "[ . 1 . 2]" 1
310 1 24 TYR HA 1 42 CYS HA . . 3.810 3.999 3.976 4.019 0.209 9 0 "[ . 1 . 2]" 1
311 1 24 TYR HA 1 51 LEU MD1 . . 3.760 2.943 2.892 2.977 . 0 0 "[ . 1 . 2]" 1
312 1 24 TYR HA 1 52 ASN H . . 4.690 3.834 3.802 3.858 . 0 0 "[ . 1 . 2]" 1
313 1 24 TYR HA 1 53 CYS HA . . 2.600 2.310 2.273 2.362 . 0 0 "[ . 1 . 2]" 1
314 1 24 TYR HA 1 54 CYS H . . 3.910 3.998 3.979 4.034 0.124 14 0 "[ . 1 . 2]" 1
315 1 24 TYR HA 1 60 ASN HB2 . . 4.100 3.997 3.756 4.132 0.032 16 0 "[ . 1 . 2]" 1
316 1 24 TYR HA 1 60 ASN HB3 . . 3.910 3.730 3.609 3.828 . 0 0 "[ . 1 . 2]" 1
317 1 24 TYR HB2 1 25 LYS H . . 2.990 2.966 2.908 3.026 0.036 9 0 "[ . 1 . 2]" 1
318 1 24 TYR HB2 1 51 LEU MD1 . . 3.010 1.888 1.855 1.926 . 0 0 "[ . 1 . 2]" 1
319 1 24 TYR HB2 1 53 CYS HA . . 3.970 4.092 4.050 4.172 0.202 18 0 "[ . 1 . 2]" 1
320 1 24 TYR HB3 1 25 LYS H . . 4.250 4.200 4.157 4.233 . 0 0 "[ . 1 . 2]" 1
321 1 24 TYR HB3 1 42 CYS HA . . 2.860 1.914 1.890 1.930 . 0 0 "[ . 1 . 2]" 1
322 1 24 TYR HB3 1 43 PRO HD2 . . 3.390 1.974 1.953 1.996 . 0 0 "[ . 1 . 2]" 1
323 1 24 TYR HB3 1 43 PRO HD3 . . 3.430 3.165 3.145 3.186 . 0 0 "[ . 1 . 2]" 1
324 1 24 TYR HB3 1 51 LEU MD1 . . 3.700 3.314 3.268 3.375 . 0 0 "[ . 1 . 2]" 1
325 1 24 TYR HB3 1 53 CYS HA . . 4.210 4.034 3.980 4.099 . 0 0 "[ . 1 . 2]" 1
326 1 24 TYR QD 1 25 LYS H . . 3.660 3.215 3.163 3.286 . 0 0 "[ . 1 . 2]" 1
327 1 24 TYR QD 1 25 LYS HA . . 3.560 3.309 3.111 3.373 . 0 0 "[ . 1 . 2]" 1
328 1 24 TYR QD 1 26 LYS H . . 3.330 3.355 3.299 3.385 0.055 20 0 "[ . 1 . 2]" 1
329 1 24 TYR QD 1 39 GLY H . . 3.830 3.467 3.263 3.600 . 0 0 "[ . 1 . 2]" 1
330 1 24 TYR QD 1 41 GLY H . . 4.020 3.610 3.512 3.657 . 0 0 "[ . 1 . 2]" 1
331 1 24 TYR QD 1 42 CYS H . . 4.940 4.406 4.199 4.501 . 0 0 "[ . 1 . 2]" 1
332 1 24 TYR QD 1 42 CYS HA . . 3.860 3.561 3.431 3.626 . 0 0 "[ . 1 . 2]" 1
333 1 24 TYR QD 1 43 PRO HD2 . . 3.790 2.901 2.821 2.961 . 0 0 "[ . 1 . 2]" 1
334 1 24 TYR QD 1 43 PRO HD3 . . 3.350 2.889 2.738 2.996 . 0 0 "[ . 1 . 2]" 1
335 1 24 TYR QD 1 43 PRO HG3 . . 4.330 3.470 3.431 3.520 . 0 0 "[ . 1 . 2]" 1
336 1 24 TYR QD 1 51 LEU MD1 . . 3.410 2.373 2.300 2.689 . 0 0 "[ . 1 . 2]" 1
337 1 24 TYR QE 1 39 GLY H . . 4.470 3.256 3.046 3.395 . 0 0 "[ . 1 . 2]" 1
338 1 24 TYR QE 1 40 CYS H . . 4.320 2.774 2.704 2.814 . 0 0 "[ . 1 . 2]" 1
339 1 25 LYS H 1 25 LYS HB2 . . 3.410 3.416 3.355 3.455 0.045 12 0 "[ . 1 . 2]" 1
340 1 25 LYS H 1 25 LYS HB3 . . 3.050 2.710 2.663 2.773 . 0 0 "[ . 1 . 2]" 1
341 1 25 LYS H 1 26 LYS H . . 4.130 4.114 4.052 4.155 0.025 9 0 "[ . 1 . 2]" 1
342 1 25 LYS H 1 51 LEU HA . . 3.940 3.714 3.682 3.746 . 0 0 "[ . 1 . 2]" 1
343 1 25 LYS H 1 51 LEU MD1 . . 3.410 2.102 2.040 2.173 . 0 0 "[ . 1 . 2]" 1
344 1 25 LYS H 1 52 ASN H . . 3.120 2.099 2.057 2.142 . 0 0 "[ . 1 . 2]" 1
345 1 25 LYS H 1 53 CYS HA . . 4.240 3.983 3.934 4.038 . 0 0 "[ . 1 . 2]" 1
346 1 25 LYS HA 1 25 LYS HB2 . . 2.910 2.368 2.348 2.388 . 0 0 "[ . 1 . 2]" 1
347 1 25 LYS HA 1 26 LYS H . . 2.410 2.177 2.176 2.177 . 0 0 "[ . 1 . 2]" 1
348 1 25 LYS HA 1 38 ARG HA . . 3.040 2.458 2.383 2.618 . 0 0 "[ . 1 . 2]" 1
349 1 25 LYS HA 1 38 ARG HB3 . . 4.340 3.004 2.414 3.622 . 0 0 "[ . 1 . 2]" 1
350 1 25 LYS HA 1 39 GLY H . . 4.290 3.803 3.760 3.839 . 0 0 "[ . 1 . 2]" 1
351 1 25 LYS HB2 1 26 LYS H . . 4.130 4.295 4.262 4.325 0.195 5 0 "[ . 1 . 2]" 1
352 1 25 LYS HB2 1 60 ASN HA . . 3.950 2.979 2.742 3.186 . 0 0 "[ . 1 . 2]" 1
353 1 25 LYS HB2 1 60 ASN HB2 . . 3.060 1.960 1.930 2.016 . 0 0 "[ . 1 . 2]" 1
354 1 25 LYS HB2 1 60 ASN HB3 . . 4.500 3.487 3.344 3.557 . 0 0 "[ . 1 . 2]" 1
355 1 25 LYS HB3 1 27 TRP HE3 . . 3.850 4.019 3.948 4.078 0.228 11 0 "[ . 1 . 2]" 1
356 1 25 LYS HB3 1 27 TRP HZ3 . . 3.880 2.980 2.827 3.071 . 0 0 "[ . 1 . 2]" 1
357 1 25 LYS HB3 1 52 ASN H . . 3.880 3.402 3.313 3.524 . 0 0 "[ . 1 . 2]" 1
358 1 26 LYS H 1 36 ILE MG . . 3.480 3.659 3.609 3.720 0.240 20 0 "[ . 1 . 2]" 1
359 1 26 LYS H 1 38 ARG HA . . 3.800 2.757 2.603 3.166 . 0 0 "[ . 1 . 2]" 1
360 1 26 LYS HA 1 27 TRP H . . 2.460 2.268 2.258 2.277 . 0 0 "[ . 1 . 2]" 1
361 1 26 LYS HA 1 27 TRP HE3 . . 3.380 2.814 2.771 2.857 . 0 0 "[ . 1 . 2]" 1
362 1 26 LYS HA 1 45 VAL MG1 . . 4.100 3.656 3.588 3.822 . 0 0 "[ . 1 . 2]" 1
363 1 26 LYS HA 1 49 VAL MG1 . . 3.630 3.721 3.697 3.762 0.132 11 0 "[ . 1 . 2]" 1
364 1 26 LYS HA 1 51 LEU HA . . 2.670 2.513 2.370 2.587 . 0 0 "[ . 1 . 2]" 1
365 1 26 LYS HA 1 51 LEU HB2 . . 3.880 3.688 3.577 3.826 . 0 0 "[ . 1 . 2]" 1
366 1 26 LYS HA 1 51 LEU MD1 . . 3.030 3.067 3.031 3.143 0.113 18 0 "[ . 1 . 2]" 1
367 1 26 LYS HA 1 52 ASN H . . 4.020 4.080 3.987 4.116 0.096 13 0 "[ . 1 . 2]" 1
368 1 27 TRP H 1 27 TRP HB2 . . 4.160 4.000 3.961 4.011 . 0 0 "[ . 1 . 2]" 1
369 1 27 TRP H 1 27 TRP HB3 . . 3.790 3.381 3.367 3.388 . 0 0 "[ . 1 . 2]" 1
370 1 27 TRP H 1 27 TRP HE3 . . 2.970 3.052 3.015 3.085 0.115 1 0 "[ . 1 . 2]" 1
371 1 27 TRP H 1 28 TRP HB3 . . 4.480 4.137 4.084 4.255 . 0 0 "[ . 1 . 2]" 1
372 1 27 TRP H 1 49 VAL HA . . 4.560 4.688 4.658 4.722 0.162 6 0 "[ . 1 . 2]" 1
373 1 27 TRP H 1 49 VAL MG1 . . 3.740 2.920 2.826 3.005 . 0 0 "[ . 1 . 2]" 1
374 1 27 TRP H 1 50 ASN H . . 3.420 2.775 2.737 2.830 . 0 0 "[ . 1 . 2]" 1
375 1 27 TRP H 1 50 ASN HA . . 4.580 4.633 4.557 4.685 0.105 13 0 "[ . 1 . 2]" 1
376 1 27 TRP H 1 50 ASN HB2 . . 3.340 2.764 2.635 2.827 . 0 0 "[ . 1 . 2]" 1
377 1 27 TRP H 1 50 ASN HB3 . . 3.720 3.872 3.797 3.916 0.196 19 0 "[ . 1 . 2]" 1
378 1 27 TRP H 1 51 LEU HA . . 4.080 4.124 4.059 4.165 0.085 13 0 "[ . 1 . 2]" 1
379 1 27 TRP HA 1 27 TRP HB2 . . 2.760 2.366 2.356 2.388 . 0 0 "[ . 1 . 2]" 1
380 1 27 TRP HA 1 27 TRP HB3 . . 2.810 2.479 2.454 2.490 . 0 0 "[ . 1 . 2]" 1
381 1 27 TRP HA 1 28 TRP H . . 2.500 2.309 2.296 2.329 . 0 0 "[ . 1 . 2]" 1
382 1 27 TRP HA 1 28 TRP HE3 . . 3.020 2.661 2.425 2.819 . 0 0 "[ . 1 . 2]" 1
383 1 27 TRP HA 1 28 TRP HZ3 . . 4.000 3.511 3.278 3.698 . 0 0 "[ . 1 . 2]" 1
384 1 27 TRP HA 1 34 THR MG . . 4.260 4.054 4.002 4.153 . 0 0 "[ . 1 . 2]" 1
385 1 27 TRP HA 1 36 ILE HA . . 2.790 2.012 1.972 2.117 . 0 0 "[ . 1 . 2]" 1
386 1 27 TRP HA 1 36 ILE HG12 . . 3.900 3.055 2.988 3.121 . 0 0 "[ . 1 . 2]" 1
387 1 27 TRP HA 1 36 ILE MG . . 4.150 3.173 2.983 3.238 . 0 0 "[ . 1 . 2]" 1
388 1 27 TRP HA 1 37 GLU H . . 3.660 3.262 3.156 3.451 . 0 0 "[ . 1 . 2]" 1
389 1 27 TRP HB2 1 27 TRP HD1 . . 3.080 2.690 2.685 2.694 . 0 0 "[ . 1 . 2]" 1
390 1 27 TRP HB2 1 28 TRP H . . 3.030 2.995 2.917 3.046 0.016 18 0 "[ . 1 . 2]" 1
391 1 27 TRP HB2 1 34 THR MG . . 3.370 3.059 3.007 3.080 . 0 0 "[ . 1 . 2]" 1
392 1 27 TRP HB2 1 36 ILE HA . . 3.680 3.349 3.281 3.436 . 0 0 "[ . 1 . 2]" 1
393 1 27 TRP HB2 1 36 ILE MD . . 4.680 3.298 3.177 3.383 . 0 0 "[ . 1 . 2]" 1
394 1 27 TRP HB2 1 36 ILE HG12 . . 3.090 2.157 2.043 2.220 . 0 0 "[ . 1 . 2]" 1
395 1 27 TRP HB2 1 36 ILE MG . . 4.110 2.819 2.727 2.961 . 0 0 "[ . 1 . 2]" 1
396 1 27 TRP HB3 1 27 TRP HE3 . . 3.330 2.574 2.566 2.584 . 0 0 "[ . 1 . 2]" 1
397 1 27 TRP HB3 1 28 TRP H . . 4.060 4.171 4.111 4.206 0.146 18 0 "[ . 1 . 2]" 1
398 1 27 TRP HB3 1 34 THR MG . . 4.320 4.421 4.351 4.454 0.134 5 0 "[ . 1 . 2]" 1
399 1 27 TRP HB3 1 36 ILE HA . . 3.040 3.111 3.077 3.145 0.105 19 0 "[ . 1 . 2]" 1
400 1 27 TRP HB3 1 36 ILE MD . . 4.420 3.516 3.307 3.611 . 0 0 "[ . 1 . 2]" 1
401 1 27 TRP HB3 1 36 ILE HG12 . . 2.950 2.965 2.785 3.032 0.082 13 0 "[ . 1 . 2]" 1
402 1 27 TRP HB3 1 36 ILE MG . . 3.300 2.026 1.939 2.193 . 0 0 "[ . 1 . 2]" 1
403 1 27 TRP HB3 1 37 GLU H . . 4.410 4.105 4.035 4.170 . 0 0 "[ . 1 . 2]" 1
404 1 27 TRP HD1 1 28 TRP H . . 3.990 4.049 4.026 4.075 0.085 13 0 "[ . 1 . 2]" 1
405 1 27 TRP HD1 1 28 TRP HA . . 5.640 3.705 3.678 3.720 . 0 0 "[ . 1 . 2]" 1
406 1 27 TRP HD1 1 34 THR MG . . 3.380 3.404 3.377 3.427 0.047 12 0 "[ . 1 . 2]" 1
407 1 27 TRP HD1 1 50 ASN HD21 . . 4.430 3.398 3.223 3.486 . 0 0 "[ . 1 . 2]" 1
408 1 27 TRP HE1 1 50 ASN HB2 . . 3.950 3.534 3.486 3.574 . 0 0 "[ . 1 . 2]" 1
409 1 27 TRP HE1 1 50 ASN HB3 . . 4.080 3.653 3.566 3.713 . 0 0 "[ . 1 . 2]" 1
410 1 27 TRP HE1 1 50 ASN HD21 . . 3.840 3.452 3.374 3.498 . 0 0 "[ . 1 . 2]" 1
411 1 27 TRP HE1 1 50 ASN HD22 . . 4.050 3.524 3.454 3.584 . 0 0 "[ . 1 . 2]" 1
412 1 27 TRP HE3 1 36 ILE MG . . 3.830 3.552 3.313 3.684 . 0 0 "[ . 1 . 2]" 1
413 1 27 TRP HE3 1 50 ASN HB2 . . 4.700 3.946 3.896 4.020 . 0 0 "[ . 1 . 2]" 1
414 1 27 TRP HE3 1 50 ASN HB3 . . 4.650 4.039 3.974 4.193 . 0 0 "[ . 1 . 2]" 1
415 1 27 TRP HZ2 1 50 ASN HB2 . . 4.000 4.015 4.004 4.030 0.030 13 0 "[ . 1 . 2]" 1
416 1 27 TRP HZ2 1 50 ASN HB3 . . 3.550 2.817 2.786 2.869 . 0 0 "[ . 1 . 2]" 1
417 1 27 TRP HZ3 1 51 LEU HA . . 4.180 3.171 3.086 3.334 . 0 0 "[ . 1 . 2]" 1
418 1 27 TRP HZ3 1 52 ASN H . . 3.330 2.878 2.807 3.019 . 0 0 "[ . 1 . 2]" 1
419 1 28 TRP H 1 28 TRP HB2 . . 4.010 3.990 3.966 4.003 . 0 0 "[ . 1 . 2]" 1
420 1 28 TRP H 1 28 TRP HB3 . . 3.530 3.449 3.425 3.462 . 0 0 "[ . 1 . 2]" 1
421 1 28 TRP H 1 28 TRP HE3 . . 4.420 3.004 2.731 3.154 . 0 0 "[ . 1 . 2]" 1
422 1 28 TRP H 1 34 THR MG . . 3.400 2.901 2.780 3.079 . 0 0 "[ . 1 . 2]" 1
423 1 28 TRP H 1 35 ILE HB . . 3.680 3.728 3.696 3.749 0.069 12 0 "[ . 1 . 2]" 1
424 1 28 TRP HA 1 28 TRP HB2 . . 2.690 2.404 2.393 2.417 . 0 0 "[ . 1 . 2]" 1
425 1 28 TRP HA 1 28 TRP HB3 . . 2.640 2.437 2.424 2.448 . 0 0 "[ . 1 . 2]" 1
426 1 28 TRP HA 1 29 SER H . . 2.560 2.560 2.540 2.566 0.006 5 0 "[ . 1 . 2]" 1
427 1 28 TRP HA 1 49 VAL HA . . 3.720 3.815 3.780 3.870 0.150 18 0 "[ . 1 . 2]" 1
428 1 28 TRP HA 1 50 ASN H . . 3.850 3.753 3.717 3.780 . 0 0 "[ . 1 . 2]" 1
429 1 28 TRP HA 1 50 ASN HD21 . . 3.750 2.805 2.774 2.884 . 0 0 "[ . 1 . 2]" 1
430 1 28 TRP HA 1 50 ASN HD22 . . 3.990 4.004 3.996 4.014 0.024 14 0 "[ . 1 . 2]" 1
431 1 28 TRP HB2 1 28 TRP HD1 . . 3.260 2.669 2.642 2.689 . 0 0 "[ . 1 . 2]" 1
432 1 28 TRP HB2 1 29 SER H . . 2.440 2.390 2.374 2.415 . 0 0 "[ . 1 . 2]" 1
433 1 28 TRP HB2 1 49 VAL HA . . 3.950 3.042 2.923 3.186 . 0 0 "[ . 1 . 2]" 1
434 1 28 TRP HB2 1 49 VAL MG1 . . 4.270 3.387 3.332 3.490 . 0 0 "[ . 1 . 2]" 1
435 1 28 TRP HB2 1 49 VAL MG2 . . 4.030 3.737 3.615 3.898 . 0 0 "[ . 1 . 2]" 1
436 1 28 TRP HB2 1 50 ASN H . . 4.430 4.321 4.252 4.451 0.021 14 0 "[ . 1 . 2]" 1
437 1 28 TRP HB3 1 28 TRP HD1 . . 3.850 3.791 3.756 3.813 . 0 0 "[ . 1 . 2]" 1
438 1 28 TRP HB3 1 28 TRP HE3 . . 3.440 2.620 2.576 2.689 . 0 0 "[ . 1 . 2]" 1
439 1 28 TRP HB3 1 29 SER H . . 3.790 3.814 3.798 3.824 0.034 20 0 "[ . 1 . 2]" 1
440 1 28 TRP HB3 1 49 VAL HA . . 3.020 2.160 2.057 2.270 . 0 0 "[ . 1 . 2]" 1
441 1 28 TRP HB3 1 49 VAL MG1 . . 3.350 2.001 1.960 2.181 . 0 0 "[ . 1 . 2]" 1
442 1 28 TRP HB3 1 49 VAL MG2 . . 3.620 3.384 3.282 3.487 . 0 0 "[ . 1 . 2]" 1
443 1 28 TRP HB3 1 50 ASN H . . 3.800 2.878 2.792 3.028 . 0 0 "[ . 1 . 2]" 1
444 1 28 TRP HB3 1 50 ASN HD21 . . 4.690 3.884 3.810 4.021 . 0 0 "[ . 1 . 2]" 1
445 1 28 TRP HD1 1 29 SER H . . 3.750 3.423 3.353 3.522 . 0 0 "[ . 1 . 2]" 1
446 1 28 TRP HD1 1 35 ILE MD . . 4.170 4.232 4.225 4.243 0.073 6 0 "[ . 1 . 2]" 1
447 1 28 TRP HE1 1 35 ILE HB . . 3.960 3.046 2.950 3.261 . 0 0 "[ . 1 . 2]" 1
448 1 28 TRP HE1 1 35 ILE HG13 . . 4.090 3.657 3.544 3.875 . 0 0 "[ . 1 . 2]" 1
449 1 28 TRP HE1 1 35 ILE MG . . 3.880 3.615 3.551 3.772 . 0 0 "[ . 1 . 2]" 1
450 1 28 TRP HE3 1 49 VAL MG1 . . 3.380 2.126 1.968 2.453 . 0 0 "[ . 1 . 2]" 1
451 1 28 TRP HH2 1 35 ILE MD . . 4.190 4.249 4.151 4.278 0.088 19 0 "[ . 1 . 2]" 1
452 1 28 TRP HH2 1 35 ILE MG . . 3.270 2.393 2.253 2.473 . 0 0 "[ . 1 . 2]" 1
453 1 28 TRP HH2 1 37 GLU H . . 4.320 4.343 4.321 4.364 0.044 11 0 "[ . 1 . 2]" 1
454 1 28 TRP HZ2 1 35 ILE HB . . 4.220 3.059 3.010 3.106 . 0 0 "[ . 1 . 2]" 1
455 1 28 TRP HZ2 1 35 ILE MD . . 3.650 2.437 2.383 2.489 . 0 0 "[ . 1 . 2]" 1
456 1 28 TRP HZ2 1 35 ILE MG . . 3.380 1.954 1.946 1.976 . 0 0 "[ . 1 . 2]" 1
457 1 28 TRP HZ3 1 35 ILE MG . . 4.330 3.355 3.213 3.427 . 0 0 "[ . 1 . 2]" 1
458 1 28 TRP HZ3 1 37 GLU H . . 3.710 2.869 2.649 2.994 . 0 0 "[ . 1 . 2]" 1
459 1 28 TRP HZ3 1 49 VAL MG1 . . 4.360 3.324 3.153 3.687 . 0 0 "[ . 1 . 2]" 1
460 1 29 SER H 1 34 THR HA . . 4.790 4.617 4.578 4.714 . 0 0 "[ . 1 . 2]" 1
461 1 29 SER HA 1 30 ASP H . . 2.420 2.386 2.281 2.410 . 0 0 "[ . 1 . 2]" 1
462 1 29 SER HA 1 33 GLY H . . 4.970 5.025 5.010 5.044 0.074 18 0 "[ . 1 . 2]" 1
463 1 29 SER HA 1 34 THR HA . . 2.830 2.019 1.988 2.146 . 0 0 "[ . 1 . 2]" 1
464 1 29 SER HA 1 34 THR MG . . 3.900 3.374 3.257 3.502 . 0 0 "[ . 1 . 2]" 1
465 1 29 SER HA 1 35 ILE H . . 3.400 3.226 3.135 3.394 . 0 0 "[ . 1 . 2]" 1
466 1 30 ASP H 1 33 GLY H . . 3.330 2.980 2.923 3.009 . 0 0 "[ . 1 . 2]" 1
467 1 30 ASP HA 1 32 ARG H . . 4.200 3.928 3.911 3.937 . 0 0 "[ . 1 . 2]" 1
468 1 31 HIS HA 1 32 ARG H . . 3.370 3.402 3.390 3.408 0.038 12 0 "[ . 1 . 2]" 1
469 1 31 HIS HA 1 33 GLY H . . 4.480 4.284 4.262 4.294 . 0 0 "[ . 1 . 2]" 1
470 1 32 ARG H 1 32 ARG HB2 . . 3.080 2.563 2.269 2.850 . 0 0 "[ . 1 . 2]" 1
471 1 32 ARG H 1 33 GLY H . . 2.800 2.044 2.042 2.046 . 0 0 "[ . 1 . 2]" 1
472 1 32 ARG HB2 1 33 GLY H . . 4.150 3.401 2.950 4.096 . 0 0 "[ . 1 . 2]" 1
473 1 33 GLY H 1 34 THR H . . 4.270 4.388 4.365 4.391 0.121 2 0 "[ . 1 . 2]" 1
474 1 33 GLY HA2 1 34 THR H . . 2.670 2.670 2.574 2.682 0.012 13 0 "[ . 1 . 2]" 1
475 1 33 GLY HA3 1 34 THR H . . 2.970 2.570 2.558 2.666 . 0 0 "[ . 1 . 2]" 1
476 1 34 THR H 1 34 THR HB . . 2.660 2.216 2.183 2.254 . 0 0 "[ . 1 . 2]" 1
477 1 34 THR H 1 34 THR MG . . 3.850 3.665 3.648 3.677 . 0 0 "[ . 1 . 2]" 1
478 1 34 THR H 1 35 ILE H . . 4.610 4.439 4.409 4.483 . 0 0 "[ . 1 . 2]" 1
479 1 34 THR HA 1 34 THR MG . . 3.250 2.498 2.404 2.581 . 0 0 "[ . 1 . 2]" 1
480 1 34 THR HA 1 35 ILE H . . 2.620 2.151 2.150 2.153 . 0 0 "[ . 1 . 2]" 1
481 1 34 THR HB 1 35 ILE H . . 4.470 4.558 4.515 4.577 0.107 15 0 "[ . 1 . 2]" 1
482 1 34 THR MG 1 35 ILE H . . 2.940 2.975 2.958 2.985 0.045 13 0 "[ . 1 . 2]" 1
483 1 34 THR MG 1 36 ILE MD . . 3.290 2.456 2.358 2.666 . 0 0 "[ . 1 . 2]" 1
484 1 34 THR MG 1 36 ILE HG13 . . 2.780 2.807 2.793 2.820 0.040 10 0 "[ . 1 . 2]" 1
485 1 35 ILE H 1 35 ILE HB . . 2.870 2.414 2.386 2.462 . 0 0 "[ . 1 . 2]" 1
486 1 35 ILE H 1 35 ILE MD . . 3.920 3.878 3.840 3.923 0.003 20 0 "[ . 1 . 2]" 1
487 1 35 ILE H 1 35 ILE HG12 . . 3.530 3.424 3.305 3.507 . 0 0 "[ . 1 . 2]" 1
488 1 35 ILE H 1 35 ILE HG13 . . 3.470 2.446 2.345 2.537 . 0 0 "[ . 1 . 2]" 1
489 1 35 ILE H 1 35 ILE MG . . 3.720 3.739 3.727 3.758 0.038 6 0 "[ . 1 . 2]" 1
490 1 35 ILE HA 1 35 ILE MD . . 3.550 3.713 3.696 3.741 0.191 6 0 "[ . 1 . 2]" 1
491 1 35 ILE HA 1 35 ILE HG12 . . 3.180 2.420 2.393 2.471 . 0 0 "[ . 1 . 2]" 1
492 1 35 ILE HA 1 35 ILE HG13 . . 3.260 3.195 3.167 3.255 . 0 0 "[ . 1 . 2]" 1
493 1 35 ILE HA 1 35 ILE MG . . 3.150 2.405 2.390 2.415 . 0 0 "[ . 1 . 2]" 1
494 1 35 ILE HA 1 36 ILE H . . 2.320 2.220 2.208 2.235 . 0 0 "[ . 1 . 2]" 1
495 1 35 ILE HA 1 36 ILE HG13 . . 3.860 3.308 3.248 3.366 . 0 0 "[ . 1 . 2]" 1
496 1 35 ILE HB 1 35 ILE MD . . 3.030 2.459 2.439 2.492 . 0 0 "[ . 1 . 2]" 1
497 1 35 ILE HB 1 35 ILE HG13 . . 2.910 2.378 2.368 2.390 . 0 0 "[ . 1 . 2]" 1
498 1 35 ILE HB 1 36 ILE H . . 4.170 4.194 4.152 4.229 0.059 2 0 "[ . 1 . 2]" 1
499 1 35 ILE MD 1 36 ILE H . . 4.890 4.879 4.823 4.923 0.033 6 0 "[ . 1 . 2]" 1
500 1 35 ILE HG12 1 35 ILE MG . . 3.380 2.595 2.562 2.615 . 0 0 "[ . 1 . 2]" 1
501 1 35 ILE HG12 1 36 ILE H . . 4.550 4.374 4.313 4.465 . 0 0 "[ . 1 . 2]" 1
502 1 35 ILE HG13 1 35 ILE MG . . 3.230 3.224 3.219 3.230 . 0 0 "[ . 1 . 2]" 1
503 1 35 ILE MG 1 36 ILE H . . 2.810 2.577 2.506 2.647 . 0 0 "[ . 1 . 2]" 1
504 1 35 ILE MG 1 37 GLU H . . 4.150 4.079 3.963 4.189 0.039 6 0 "[ . 1 . 2]" 1
505 1 36 ILE H 1 36 ILE HB . . 3.010 2.816 2.766 2.887 . 0 0 "[ . 1 . 2]" 1
506 1 36 ILE H 1 36 ILE MD . . 4.000 4.037 4.011 4.074 0.074 11 0 "[ . 1 . 2]" 1
507 1 36 ILE H 1 36 ILE HG12 . . 3.640 3.688 3.647 3.705 0.065 19 0 "[ . 1 . 2]" 1
508 1 36 ILE H 1 36 ILE HG13 . . 3.150 2.628 2.608 2.654 . 0 0 "[ . 1 . 2]" 1
509 1 36 ILE H 1 36 ILE MG . . 4.300 3.916 3.898 3.942 . 0 0 "[ . 1 . 2]" 1
510 1 36 ILE H 1 37 GLU H . . 4.240 4.271 4.236 4.301 0.061 10 0 "[ . 1 . 2]" 1
511 1 36 ILE HA 1 36 ILE MD . . 3.810 3.862 3.850 3.874 0.064 11 0 "[ . 1 . 2]" 1
512 1 36 ILE HA 1 36 ILE HG12 . . 3.020 2.669 2.639 2.700 . 0 0 "[ . 1 . 2]" 1
513 1 36 ILE HA 1 36 ILE HG13 . . 3.240 3.244 3.216 3.272 0.032 10 0 "[ . 1 . 2]" 1
514 1 36 ILE HA 1 36 ILE MG . . 2.920 2.266 2.204 2.300 . 0 0 "[ . 1 . 2]" 1
515 1 36 ILE HA 1 37 GLU H . . 2.400 2.187 2.179 2.199 . 0 0 "[ . 1 . 2]" 1
516 1 36 ILE HB 1 36 ILE MD . . 2.800 2.366 2.311 2.438 . 0 0 "[ . 1 . 2]" 1
517 1 36 ILE HB 1 37 GLU H . . 4.220 4.182 4.096 4.235 0.015 2 0 "[ . 1 . 2]" 1
518 1 36 ILE MG 1 37 GLU H . . 2.830 2.568 2.441 2.865 0.035 20 0 "[ . 1 . 2]" 1
519 1 36 ILE MG 1 38 ARG HG2 . . 3.180 3.044 2.799 3.233 0.053 14 0 "[ . 1 . 2]" 1
520 1 36 ILE MG 1 38 ARG HG3 . . 3.400 2.735 2.442 3.072 . 0 0 "[ . 1 . 2]" 1
521 1 37 GLU H 1 38 ARG H . . 4.390 4.168 4.138 4.203 . 0 0 "[ . 1 . 2]" 1
522 1 37 GLU H 1 38 ARG HG2 . . 4.600 4.265 3.745 4.612 0.012 9 0 "[ . 1 . 2]" 1
523 1 37 GLU HA 1 38 ARG H . . 2.390 2.203 2.201 2.204 . 0 0 "[ . 1 . 2]" 1
524 1 38 ARG H 1 38 ARG HB2 . . 3.070 2.746 2.648 2.864 . 0 0 "[ . 1 . 2]" 1
525 1 38 ARG H 1 38 ARG HB3 . . 3.920 3.764 3.723 3.815 . 0 0 "[ . 1 . 2]" 1
526 1 38 ARG H 1 38 ARG HG2 . . 4.600 3.571 3.209 3.839 . 0 0 "[ . 1 . 2]" 1
527 1 38 ARG H 1 38 ARG HG3 . . 3.610 2.530 2.304 2.782 . 0 0 "[ . 1 . 2]" 1
528 1 38 ARG H 1 39 GLY H . . 4.560 4.505 4.478 4.528 . 0 0 "[ . 1 . 2]" 1
529 1 38 ARG HA 1 39 GLY H . . 2.630 2.476 2.402 2.488 . 0 0 "[ . 1 . 2]" 1
530 1 38 ARG HB2 1 38 ARG HG3 . . 2.800 2.504 2.379 2.641 . 0 0 "[ . 1 . 2]" 1
531 1 38 ARG HB2 1 39 GLY H . . 4.330 3.506 3.405 3.734 . 0 0 "[ . 1 . 2]" 1
532 1 38 ARG HB2 1 60 ASN HD21 . . 4.020 3.536 3.234 3.878 . 0 0 "[ . 1 . 2]" 1
533 1 38 ARG HB2 1 60 ASN HD22 . . 3.760 3.603 3.410 3.771 0.011 9 0 "[ . 1 . 2]" 1
534 1 38 ARG HB3 1 39 GLY H . . 3.560 2.618 2.554 2.808 . 0 0 "[ . 1 . 2]" 1
535 1 38 ARG HB3 1 60 ASN HD21 . . 3.240 2.038 1.947 2.234 . 0 0 "[ . 1 . 2]" 1
536 1 38 ARG HB3 1 60 ASN HD22 . . 3.130 2.792 2.454 3.140 0.010 17 0 "[ . 1 . 2]" 1
537 1 39 GLY H 1 60 ASN HD21 . . 3.090 2.222 2.027 2.464 . 0 0 "[ . 1 . 2]" 1
538 1 39 GLY H 1 60 ASN HD22 . . 3.370 2.796 2.517 3.075 . 0 0 "[ . 1 . 2]" 1
539 1 39 GLY HA2 1 40 CYS H . . 3.010 2.671 2.615 2.759 . 0 0 "[ . 1 . 2]" 1
540 1 39 GLY HA3 1 40 CYS H . . 2.560 2.570 2.489 2.624 0.064 20 0 "[ . 1 . 2]" 1
541 1 40 CYS H 1 40 CYS HB2 . . 2.710 2.239 2.234 2.248 . 0 0 "[ . 1 . 2]" 1
542 1 40 CYS H 1 40 CYS HB3 . . 3.340 3.508 3.505 3.513 0.173 11 0 "[ . 1 . 2]" 1
543 1 40 CYS H 1 41 GLY H . . 4.510 4.612 4.607 4.615 0.105 15 0 "[ . 1 . 2]" 1
544 1 40 CYS HA 1 40 CYS HB3 . . 2.920 2.618 2.612 2.622 . 0 0 "[ . 1 . 2]" 1
545 1 40 CYS HA 1 41 GLY H . . 2.660 2.385 2.376 2.400 . 0 0 "[ . 1 . 2]" 1
546 1 40 CYS HB2 1 41 GLY H . . 4.370 4.061 4.030 4.076 . 0 0 "[ . 1 . 2]" 1
547 1 40 CYS HB3 1 41 GLY H . . 3.510 2.796 2.752 2.817 . 0 0 "[ . 1 . 2]" 1
548 1 41 GLY H 1 41 GLY HA2 . . 2.810 2.328 2.326 2.330 . 0 0 "[ . 1 . 2]" 1
549 1 41 GLY H 1 42 CYS H . . 4.600 4.572 4.567 4.577 . 0 0 "[ . 1 . 2]" 1
550 1 41 GLY HA2 1 42 CYS H . . 2.890 2.786 2.767 2.798 . 0 0 "[ . 1 . 2]" 1
551 1 41 GLY HA3 1 42 CYS H . . 2.720 2.467 2.455 2.482 . 0 0 "[ . 1 . 2]" 1
552 1 42 CYS H 1 42 CYS HB2 . . 3.700 3.403 3.391 3.420 . 0 0 "[ . 1 . 2]" 1
553 1 42 CYS H 1 42 CYS HB3 . . 3.460 2.800 2.781 2.827 . 0 0 "[ . 1 . 2]" 1
554 1 42 CYS H 1 43 PRO HD2 . . 4.180 3.723 3.692 3.746 . 0 0 "[ . 1 . 2]" 1
555 1 42 CYS H 1 43 PRO HD3 . . 3.620 2.918 2.875 2.949 . 0 0 "[ . 1 . 2]" 1
556 1 42 CYS HA 1 42 CYS HB2 . . 2.710 2.391 2.386 2.396 . 0 0 "[ . 1 . 2]" 1
557 1 42 CYS HA 1 42 CYS HB3 . . 3.020 3.020 3.018 3.021 0.001 18 0 "[ . 1 . 2]" 1
558 1 42 CYS HA 1 43 PRO HD2 . . 2.490 1.926 1.916 1.932 . 0 0 "[ . 1 . 2]" 1
559 1 42 CYS HA 1 43 PRO HD3 . . 2.730 2.850 2.833 2.859 0.129 3 0 "[ . 1 . 2]" 1
560 1 42 CYS HA 1 51 LEU MD1 . . 3.840 3.807 3.787 3.823 . 0 0 "[ . 1 . 2]" 1
561 1 42 CYS HB2 1 53 CYS HB3 . . 3.200 2.550 2.491 2.609 . 0 0 "[ . 1 . 2]" 1
562 1 42 CYS HB3 1 53 CYS HB3 . . 4.100 3.932 3.893 3.974 . 0 0 "[ . 1 . 2]" 1
563 1 43 PRO HA 1 44 LYS H . . 2.450 2.608 2.583 2.616 0.166 11 0 "[ . 1 . 2]" 1
564 1 43 PRO HB2 1 44 LYS H . . 2.980 2.353 2.335 2.407 . 0 0 "[ . 1 . 2]" 1
565 1 43 PRO HB3 1 44 LYS H . . 3.570 3.434 3.425 3.458 . 0 0 "[ . 1 . 2]" 1
566 1 43 PRO HD2 1 51 LEU MD1 . . 3.010 3.075 3.041 3.127 0.117 18 0 "[ . 1 . 2]" 1
567 1 43 PRO HD2 1 51 LEU MD2 . . 3.550 3.607 3.547 3.660 0.110 16 0 "[ . 1 . 2]" 1
568 1 43 PRO HG2 1 44 LYS H . . 4.820 4.145 4.129 4.192 . 0 0 "[ . 1 . 2]" 1
569 1 44 LYS H 1 45 VAL H . . 4.590 4.481 4.471 4.501 . 0 0 "[ . 1 . 2]" 1
570 1 44 LYS H 1 45 VAL MG1 . . 4.300 4.316 4.195 4.357 0.057 7 0 "[ . 1 . 2]" 1
571 1 44 LYS H 1 51 LEU MD2 . . 4.660 4.078 4.016 4.167 . 0 0 "[ . 1 . 2]" 1
572 1 44 LYS HA 1 45 VAL H . . 2.290 2.257 2.248 2.270 . 0 0 "[ . 1 . 2]" 1
573 1 44 LYS HA 1 45 VAL MG1 . . 3.910 3.343 3.263 3.475 . 0 0 "[ . 1 . 2]" 1
574 1 44 LYS HA 1 45 VAL MG2 . . 3.830 3.791 3.748 3.841 0.011 5 0 "[ . 1 . 2]" 1
575 1 44 LYS HA 1 51 LEU MD2 . . 3.790 2.493 2.440 2.581 . 0 0 "[ . 1 . 2]" 1
576 1 45 VAL H 1 45 VAL HA . . 2.920 2.940 2.939 2.941 0.021 18 0 "[ . 1 . 2]" 1
577 1 45 VAL H 1 45 VAL HB . . 3.570 3.715 3.710 3.740 0.170 18 0 "[ . 1 . 2]" 1
578 1 45 VAL H 1 45 VAL MG1 . . 3.600 2.604 2.554 2.693 . 0 0 "[ . 1 . 2]" 1
579 1 45 VAL H 1 51 LEU MD2 . . 3.920 2.487 2.435 2.632 . 0 0 "[ . 1 . 2]" 1
580 1 45 VAL HA 1 45 VAL HB . . 2.640 2.405 2.391 2.413 . 0 0 "[ . 1 . 2]" 1
581 1 45 VAL HA 1 45 VAL MG1 . . 2.840 2.407 2.316 2.469 . 0 0 "[ . 1 . 2]" 1
582 1 45 VAL HA 1 45 VAL MG2 . . 3.600 3.215 3.213 3.217 . 0 0 "[ . 1 . 2]" 1
583 1 45 VAL HA 1 46 LYS H . . 2.720 2.460 2.444 2.470 . 0 0 "[ . 1 . 2]" 1
584 1 45 VAL HA 1 49 VAL HB . . 4.400 4.406 4.327 4.445 0.045 18 0 "[ . 1 . 2]" 1
585 1 45 VAL HB 1 46 LYS H . . 2.450 2.539 2.512 2.574 0.124 17 0 "[ . 1 . 2]" 1
586 1 45 VAL HB 1 49 VAL MG1 . . 2.840 2.756 2.510 2.833 . 0 0 "[ . 1 . 2]" 1
587 1 45 VAL MG1 1 51 LEU HA . . 3.570 3.601 3.568 3.638 0.068 13 0 "[ . 1 . 2]" 1
588 1 45 VAL MG1 1 51 LEU HB2 . . 3.300 1.923 1.888 1.961 . 0 0 "[ . 1 . 2]" 1
589 1 45 VAL MG2 1 46 LYS H . . 3.530 3.350 3.319 3.373 . 0 0 "[ . 1 . 2]" 1
590 1 45 VAL MG2 1 49 VAL H . . 3.730 3.752 3.730 3.768 0.038 13 0 "[ . 1 . 2]" 1
591 1 45 VAL MG2 1 49 VAL HB . . 2.690 2.418 2.358 2.439 . 0 0 "[ . 1 . 2]" 1
592 1 45 VAL MG2 1 51 LEU HB2 . . 3.100 1.967 1.953 1.974 . 0 0 "[ . 1 . 2]" 1
593 1 45 VAL MG2 1 51 LEU HB3 . . 3.000 2.340 2.283 2.444 . 0 0 "[ . 1 . 2]" 1
594 1 46 LYS H 1 46 LYS HA . . 2.820 2.891 2.888 2.894 0.074 18 0 "[ . 1 . 2]" 1
595 1 46 LYS H 1 46 LYS HB2 . . 2.700 2.693 2.691 2.699 . 0 0 "[ . 1 . 2]" 1
596 1 46 LYS H 1 46 LYS HB3 . . 3.400 3.604 3.601 3.609 0.209 18 0 "[ . 1 . 2]" 1
597 1 46 LYS H 1 47 PRO HD2 . . 4.730 4.897 4.883 4.905 0.175 11 0 "[ . 1 . 2]" 1
598 1 46 LYS H 1 47 PRO HD3 . . 4.610 4.620 4.619 4.622 0.012 18 0 "[ . 1 . 2]" 1
599 1 46 LYS H 1 49 VAL H . . 4.580 4.514 4.480 4.523 . 0 0 "[ . 1 . 2]" 1
600 1 46 LYS H 1 49 VAL HB . . 3.280 3.278 3.229 3.336 0.056 13 0 "[ . 1 . 2]" 1
601 1 46 LYS H 1 49 VAL MG1 . . 4.230 4.011 3.912 4.077 . 0 0 "[ . 1 . 2]" 1
602 1 46 LYS H 1 49 VAL MG2 . . 3.360 2.742 2.693 2.788 . 0 0 "[ . 1 . 2]" 1
603 1 46 LYS HA 1 46 LYS HB3 . . 2.790 2.346 2.344 2.348 . 0 0 "[ . 1 . 2]" 1
604 1 46 LYS HA 1 47 PRO HD2 . . 3.230 3.084 3.072 3.101 . 0 0 "[ . 1 . 2]" 1
605 1 46 LYS HA 1 47 PRO HD3 . . 2.340 1.976 1.966 1.991 . 0 0 "[ . 1 . 2]" 1
606 1 46 LYS HA 1 47 PRO HG3 . . 3.850 4.009 4.003 4.017 0.167 17 0 "[ . 1 . 2]" 1
607 1 46 LYS HB2 1 47 PRO HD2 . . 3.190 2.922 2.878 2.949 . 0 0 "[ . 1 . 2]" 1
608 1 46 LYS HB2 1 47 PRO HD3 . . 3.690 3.624 3.591 3.644 . 0 0 "[ . 1 . 2]" 1
609 1 46 LYS HB2 1 49 VAL MG2 . . 3.580 2.683 2.656 2.735 . 0 0 "[ . 1 . 2]" 1
610 1 46 LYS HB3 1 47 PRO HD2 . . 2.810 1.893 1.880 1.902 . 0 0 "[ . 1 . 2]" 1
611 1 46 LYS HB3 1 47 PRO HD3 . . 3.400 2.359 2.325 2.381 . 0 0 "[ . 1 . 2]" 1
612 1 46 LYS HB3 1 49 VAL MG2 . . 4.070 4.139 4.121 4.175 0.105 18 0 "[ . 1 . 2]" 1
613 1 47 PRO HA 1 48 GLY H . . 2.370 2.284 2.281 2.287 . 0 0 "[ . 1 . 2]" 1
614 1 47 PRO HB2 1 48 GLY H . . 3.980 3.949 3.935 3.964 . 0 0 "[ . 1 . 2]" 1
615 1 47 PRO HB3 1 48 GLY H . . 3.640 3.585 3.567 3.602 . 0 0 "[ . 1 . 2]" 1
616 1 48 GLY H 1 48 GLY HA2 . . 2.590 2.358 2.356 2.360 . 0 0 "[ . 1 . 2]" 1
617 1 48 GLY H 1 48 GLY HA3 . . 2.880 2.943 2.943 2.944 0.064 17 0 "[ . 1 . 2]" 1
618 1 48 GLY H 1 49 VAL H . . 2.930 2.932 2.928 2.937 0.007 18 0 "[ . 1 . 2]" 1
619 1 48 GLY H 1 49 VAL MG2 . . 4.530 4.422 4.405 4.475 . 0 0 "[ . 1 . 2]" 1
620 1 48 GLY HA3 1 49 VAL H . . 3.440 2.961 2.958 2.963 . 0 0 "[ . 1 . 2]" 1
621 1 49 VAL H 1 49 VAL HB . . 2.610 2.649 2.597 2.660 0.050 18 0 "[ . 1 . 2]" 1
622 1 49 VAL H 1 49 VAL MG1 . . 3.650 3.726 3.722 3.730 0.080 11 0 "[ . 1 . 2]" 1
623 1 49 VAL H 1 49 VAL MG2 . . 2.870 2.055 2.040 2.103 . 0 0 "[ . 1 . 2]" 1
624 1 49 VAL H 1 50 ASN H . . 4.750 4.622 4.618 4.630 . 0 0 "[ . 1 . 2]" 1
625 1 49 VAL HA 1 49 VAL MG1 . . 2.720 2.242 2.171 2.337 . 0 0 "[ . 1 . 2]" 1
626 1 49 VAL HA 1 49 VAL MG2 . . 2.820 2.534 2.491 2.542 . 0 0 "[ . 1 . 2]" 1
627 1 49 VAL HA 1 50 ASN H . . 2.410 2.302 2.285 2.325 . 0 0 "[ . 1 . 2]" 1
628 1 49 VAL HA 1 50 ASN HD21 . . 4.370 3.859 3.832 3.877 . 0 0 "[ . 1 . 2]" 1
629 1 49 VAL HB 1 50 ASN H . . 3.680 3.766 3.740 3.799 0.119 18 0 "[ . 1 . 2]" 1
630 1 49 VAL MG1 1 50 ASN H . . 2.960 2.312 2.006 2.418 . 0 0 "[ . 1 . 2]" 1
631 1 49 VAL MG2 1 50 ASN H . . 4.370 4.198 4.144 4.220 . 0 0 "[ . 1 . 2]" 1
632 1 50 ASN H 1 50 ASN HB2 . . 2.900 2.303 2.293 2.320 . 0 0 "[ . 1 . 2]" 1
633 1 50 ASN H 1 50 ASN HD21 . . 3.370 2.761 2.693 2.788 . 0 0 "[ . 1 . 2]" 1
634 1 50 ASN H 1 50 ASN HD22 . . 4.100 4.131 4.034 4.166 0.066 17 0 "[ . 1 . 2]" 1
635 1 50 ASN HA 1 50 ASN HB3 . . 2.810 2.646 2.626 2.652 . 0 0 "[ . 1 . 2]" 1
636 1 50 ASN HA 1 51 LEU H . . 2.440 2.350 2.323 2.378 . 0 0 "[ . 1 . 2]" 1
637 1 50 ASN HA 1 51 LEU HB3 . . 4.280 4.370 4.346 4.406 0.126 13 0 "[ . 1 . 2]" 1
638 1 50 ASN HB2 1 50 ASN HD21 . . 3.080 2.170 2.168 2.173 . 0 0 "[ . 1 . 2]" 1
639 1 50 ASN HB2 1 50 ASN HD22 . . 3.620 3.473 3.472 3.474 . 0 0 "[ . 1 . 2]" 1
640 1 50 ASN HB3 1 51 LEU H . . 3.320 2.990 2.885 3.097 . 0 0 "[ . 1 . 2]" 1
641 1 51 LEU H 1 51 LEU HB2 . . 3.270 3.405 3.357 3.446 0.176 11 0 "[ . 1 . 2]" 1
642 1 51 LEU H 1 51 LEU HB3 . . 2.860 2.752 2.690 2.797 . 0 0 "[ . 1 . 2]" 1
643 1 51 LEU H 1 51 LEU MD1 . . 4.460 4.325 4.260 4.361 . 0 0 "[ . 1 . 2]" 1
644 1 51 LEU H 1 51 LEU HG . . 4.540 4.354 4.337 4.364 . 0 0 "[ . 1 . 2]" 1
645 1 51 LEU H 1 52 ASN H . . 4.280 4.313 4.293 4.354 0.074 18 0 "[ . 1 . 2]" 1
646 1 51 LEU HA 1 51 LEU HB2 . . 2.730 2.369 2.364 2.375 . 0 0 "[ . 1 . 2]" 1
647 1 51 LEU HA 1 51 LEU MD1 . . 2.480 2.084 1.958 2.158 . 0 0 "[ . 1 . 2]" 1
648 1 51 LEU HA 1 51 LEU HG . . 3.650 3.340 3.288 3.399 . 0 0 "[ . 1 . 2]" 1
649 1 51 LEU HA 1 52 ASN H . . 2.310 2.254 2.247 2.264 . 0 0 "[ . 1 . 2]" 1
650 1 51 LEU HB2 1 51 LEU MD1 . . 2.990 2.392 2.345 2.464 . 0 0 "[ . 1 . 2]" 1
651 1 51 LEU HB2 1 51 LEU MD2 . . 2.790 2.315 2.250 2.362 . 0 0 "[ . 1 . 2]" 1
652 1 51 LEU HB2 1 52 ASN H . . 3.910 4.059 4.035 4.073 0.163 12 0 "[ . 1 . 2]" 1
653 1 51 LEU HB3 1 51 LEU MD1 . . 3.590 3.208 3.203 3.210 . 0 0 "[ . 1 . 2]" 1
654 1 51 LEU HB3 1 51 LEU MD2 . . 2.850 2.329 2.277 2.391 . 0 0 "[ . 1 . 2]" 1
655 1 51 LEU HB3 1 51 LEU HG . . 2.930 2.438 2.406 2.465 . 0 0 "[ . 1 . 2]" 1
656 1 51 LEU HB3 1 52 ASN H . . 4.150 4.204 4.185 4.220 0.070 12 0 "[ . 1 . 2]" 1
657 1 51 LEU MD1 1 52 ASN H . . 3.030 1.918 1.850 1.990 . 0 0 "[ . 1 . 2]" 1
658 1 51 LEU MD1 1 52 ASN HA . . 4.370 3.826 3.695 3.956 . 0 0 "[ . 1 . 2]" 1
659 1 51 LEU MD1 1 53 CYS H . . 4.400 4.195 3.983 4.312 . 0 0 "[ . 1 . 2]" 1
660 1 51 LEU MD1 1 53 CYS HA . . 4.280 3.911 3.769 3.995 . 0 0 "[ . 1 . 2]" 1
661 1 51 LEU HG 1 52 ASN H . . 3.320 3.087 2.988 3.160 . 0 0 "[ . 1 . 2]" 1
662 1 51 LEU HG 1 52 ASN HA . . 4.510 3.721 3.680 3.762 . 0 0 "[ . 1 . 2]" 1
663 1 51 LEU HG 1 53 CYS H . . 4.500 4.141 4.042 4.200 . 0 0 "[ . 1 . 2]" 1
664 1 52 ASN HA 1 52 ASN HD21 . . 4.100 3.161 2.059 4.022 . 0 0 "[ . 1 . 2]" 1
665 1 52 ASN HA 1 52 ASN HD22 . . 4.730 4.126 3.636 4.582 . 0 0 "[ . 1 . 2]" 1
666 1 52 ASN HA 1 53 CYS H . . 2.380 2.254 2.252 2.258 . 0 0 "[ . 1 . 2]" 1
667 1 52 ASN HA 1 53 CYS HA . . 4.650 4.420 4.419 4.422 . 0 0 "[ . 1 . 2]" 1
668 1 52 ASN HD21 1 53 CYS H . . 4.440 3.680 2.294 4.233 . 0 0 "[ . 1 . 2]" 1
669 1 52 ASN HD22 1 54 CYS HB3 . . 4.400 3.550 3.101 4.357 . 0 0 "[ . 1 . 2]" 1
670 1 53 CYS H 1 53 CYS HB2 . . 3.060 2.573 2.558 2.585 . 0 0 "[ . 1 . 2]" 1
671 1 53 CYS H 1 53 CYS HB3 . . 4.080 3.706 3.697 3.714 . 0 0 "[ . 1 . 2]" 1
672 1 53 CYS H 1 54 CYS H . . 4.480 4.503 4.484 4.511 0.031 8 0 "[ . 1 . 2]" 1
673 1 53 CYS HA 1 53 CYS HB3 . . 2.820 2.454 2.445 2.463 . 0 0 "[ . 1 . 2]" 1
674 1 53 CYS HA 1 54 CYS H . . 2.560 2.330 2.314 2.339 . 0 0 "[ . 1 . 2]" 1
675 1 53 CYS HB2 1 54 CYS H . . 4.000 3.956 3.926 4.005 0.005 11 0 "[ . 1 . 2]" 1
676 1 53 CYS HB3 1 54 CYS H . . 3.400 2.922 2.893 2.976 . 0 0 "[ . 1 . 2]" 1
677 1 54 CYS H 1 54 CYS HB3 . . 3.770 3.662 3.644 3.673 . 0 0 "[ . 1 . 2]" 1
678 1 54 CYS HA 1 54 CYS HB2 . . 2.770 2.604 2.598 2.612 . 0 0 "[ . 1 . 2]" 1
679 1 54 CYS HA 1 54 CYS HB3 . . 2.600 2.278 2.274 2.282 . 0 0 "[ . 1 . 2]" 1
680 1 54 CYS HA 1 55 ARG H . . 2.580 2.501 2.488 2.515 . 0 0 "[ . 1 . 2]" 1
681 1 54 CYS HA 1 55 ARG HG3 . . 3.520 3.564 3.553 3.578 0.058 15 0 "[ . 1 . 2]" 1
682 1 54 CYS HA 1 56 THR H . . 4.510 4.474 4.461 4.484 . 0 0 "[ . 1 . 2]" 1
683 1 54 CYS HB2 1 55 ARG H . . 2.920 2.484 2.455 2.512 . 0 0 "[ . 1 . 2]" 1
684 1 54 CYS HB2 1 56 THR H . . 3.960 2.878 2.867 2.882 . 0 0 "[ . 1 . 2]" 1
685 1 54 CYS HB3 1 55 ARG H . . 3.610 3.572 3.544 3.597 . 0 0 "[ . 1 . 2]" 1
686 1 54 CYS HB3 1 56 THR H . . 4.910 4.534 4.522 4.539 . 0 0 "[ . 1 . 2]" 1
687 1 55 ARG H 1 55 ARG HB2 . . 2.850 2.511 2.506 2.515 . 0 0 "[ . 1 . 2]" 1
688 1 55 ARG H 1 55 ARG HB3 . . 3.730 3.678 3.675 3.680 . 0 0 "[ . 1 . 2]" 1
689 1 55 ARG H 1 55 ARG HG3 . . 3.190 2.869 2.853 2.881 . 0 0 "[ . 1 . 2]" 1
690 1 55 ARG H 1 56 THR H . . 3.000 3.035 3.029 3.044 0.044 7 0 "[ . 1 . 2]" 1
691 1 55 ARG H 1 56 THR MG . . 3.880 3.332 3.311 3.345 . 0 0 "[ . 1 . 2]" 1
692 1 55 ARG HA 1 55 ARG HB3 . . 2.870 2.547 2.545 2.549 . 0 0 "[ . 1 . 2]" 1
693 1 55 ARG HA 1 55 ARG HG2 . . 3.120 2.838 2.836 2.842 . 0 0 "[ . 1 . 2]" 1
694 1 55 ARG HA 1 55 ARG HG3 . . 3.530 2.632 2.627 2.638 . 0 0 "[ . 1 . 2]" 1
695 1 55 ARG HA 1 56 THR H . . 3.310 2.774 2.771 2.779 . 0 0 "[ . 1 . 2]" 1
696 1 55 ARG HB2 1 56 THR H . . 4.290 4.362 4.357 4.365 0.075 16 0 "[ . 1 . 2]" 1
697 1 55 ARG HB2 1 56 THR MG . . 3.800 3.640 3.600 3.654 . 0 0 "[ . 1 . 2]" 1
698 1 55 ARG HB3 1 55 ARG HG2 . . 2.470 2.333 2.333 2.334 . 0 0 "[ . 1 . 2]" 1
699 1 55 ARG HB3 1 56 THR H . . 4.560 4.502 4.500 4.505 . 0 0 "[ . 1 . 2]" 1
700 1 55 ARG HB3 1 56 THR MG . . 4.830 4.367 4.328 4.391 . 0 0 "[ . 1 . 2]" 1
701 1 56 THR H 1 56 THR HB . . 3.780 3.655 3.648 3.672 . 0 0 "[ . 1 . 2]" 1
702 1 56 THR H 1 56 THR MG . . 3.150 3.224 3.214 3.231 0.081 16 0 "[ . 1 . 2]" 1
703 1 56 THR H 1 59 CYS H . . 4.300 4.372 4.359 4.411 0.111 7 0 "[ . 1 . 2]" 1
704 1 56 THR H 1 59 CYS HB2 . . 3.960 3.901 3.891 3.919 . 0 0 "[ . 1 . 2]" 1
705 1 56 THR H 1 59 CYS HB3 . . 3.300 3.158 3.147 3.188 . 0 0 "[ . 1 . 2]" 1
706 1 56 THR HA 1 56 THR HB . . 2.790 2.666 2.660 2.669 . 0 0 "[ . 1 . 2]" 1
707 1 56 THR HA 1 56 THR MG . . 2.820 2.328 2.325 2.329 . 0 0 "[ . 1 . 2]" 1
708 1 56 THR HB 1 57 ASP H . . 2.960 3.114 3.109 3.126 0.166 7 0 "[ . 1 . 2]" 1
709 1 56 THR MG 1 57 ASP H . . 3.650 3.663 3.656 3.683 0.033 7 0 "[ . 1 . 2]" 1
710 1 56 THR MG 1 59 CYS HB3 . . 3.850 3.591 3.576 3.619 . 0 0 "[ . 1 . 2]" 1
711 1 57 ASP H 1 57 ASP HB2 . . 2.980 2.511 2.468 2.556 . 0 0 "[ . 1 . 2]" 1
712 1 57 ASP H 1 57 ASP HB3 . . 3.470 3.547 3.545 3.548 0.078 10 0 "[ . 1 . 2]" 1
713 1 57 ASP H 1 58 ARG H . . 4.550 4.641 4.638 4.646 0.096 7 0 "[ . 1 . 2]" 1
714 1 57 ASP HA 1 57 ASP HB3 . . 3.050 2.517 2.495 2.536 . 0 0 "[ . 1 . 2]" 1
715 1 57 ASP HA 1 58 ARG H . . 3.510 2.329 2.323 2.343 . 0 0 "[ . 1 . 2]" 1
716 1 57 ASP HB2 1 58 ARG H . . 4.010 4.029 4.010 4.047 0.037 8 0 "[ . 1 . 2]" 1
717 1 57 ASP HB3 1 58 ARG H . . 3.490 3.028 2.974 3.058 . 0 0 "[ . 1 . 2]" 1
718 1 57 ASP HB3 1 58 ARG HG2 . . 4.260 3.590 3.467 3.649 . 0 0 "[ . 1 . 2]" 1
719 1 57 ASP HB3 1 58 ARG HG3 . . 3.300 2.560 2.506 2.610 . 0 0 "[ . 1 . 2]" 1
720 1 58 ARG H 1 58 ARG HA . . 2.580 2.183 2.180 2.185 . 0 0 "[ . 1 . 2]" 1
721 1 58 ARG H 1 58 ARG HB2 . . 3.980 3.670 3.664 3.687 . 0 0 "[ . 1 . 2]" 1
722 1 58 ARG H 1 58 ARG HG2 . . 3.740 2.505 2.499 2.515 . 0 0 "[ . 1 . 2]" 1
723 1 58 ARG H 1 58 ARG HG3 . . 3.170 2.918 2.908 2.952 . 0 0 "[ . 1 . 2]" 1
724 1 58 ARG H 1 59 CYS H . . 3.160 2.942 2.910 2.956 . 0 0 "[ . 1 . 2]" 1
725 1 58 ARG HA 1 58 ARG HB3 . . 3.030 2.405 2.400 2.408 . 0 0 "[ . 1 . 2]" 1
726 1 58 ARG HA 1 58 ARG HG2 . . 3.010 2.613 2.607 2.624 . 0 0 "[ . 1 . 2]" 1
727 1 58 ARG HA 1 58 ARG HG3 . . 3.440 3.515 3.509 3.529 0.089 7 0 "[ . 1 . 2]" 1
728 1 58 ARG HA 1 59 CYS H . . 3.290 2.872 2.850 2.911 . 0 0 "[ . 1 . 2]" 1
729 1 58 ARG HA 1 60 ASN H . . 3.740 3.268 3.223 3.294 . 0 0 "[ . 1 . 2]" 1
730 1 58 ARG HB2 1 58 ARG HD2 . . 2.930 2.868 2.709 2.907 . 0 0 "[ . 1 . 2]" 1
731 1 58 ARG HB2 1 58 ARG HD3 . . 3.360 3.139 3.097 3.370 0.010 19 0 "[ . 1 . 2]" 1
732 1 58 ARG HB2 1 58 ARG HG3 . . 2.960 2.384 2.381 2.385 . 0 0 "[ . 1 . 2]" 1
733 1 58 ARG HB2 1 59 CYS H . . 4.470 4.247 4.210 4.266 . 0 0 "[ . 1 . 2]" 1
734 1 58 ARG HB3 1 58 ARG HD2 . . 3.070 3.028 2.763 3.076 0.006 1 0 "[ . 1 . 2]" 1
735 1 58 ARG HB3 1 58 ARG HD3 . . 3.440 2.258 2.223 2.444 . 0 0 "[ . 1 . 2]" 1
736 1 58 ARG HB3 1 58 ARG HG2 . . 2.980 2.641 2.639 2.646 . 0 0 "[ . 1 . 2]" 1
737 1 58 ARG HD2 1 58 ARG HG2 . . 3.020 3.043 3.038 3.057 0.037 12 0 "[ . 1 . 2]" 1
738 1 58 ARG HD3 1 58 ARG HG2 . . 2.910 2.613 2.479 2.639 . 0 0 "[ . 1 . 2]" 1
739 1 58 ARG HD3 1 58 ARG HG3 . . 3.050 3.044 3.039 3.058 0.008 19 0 "[ . 1 . 2]" 1
740 1 59 CYS H 1 59 CYS HB2 . . 3.630 3.620 3.618 3.623 . 0 0 "[ . 1 . 2]" 1
741 1 59 CYS H 1 59 CYS HB3 . . 2.850 2.628 2.595 2.660 . 0 0 "[ . 1 . 2]" 1
742 1 59 CYS H 1 60 ASN H . . 3.200 2.222 2.211 2.228 . 0 0 "[ . 1 . 2]" 1
743 1 59 CYS HA 1 59 CYS HB2 . . 2.670 2.375 2.360 2.389 . 0 0 "[ . 1 . 2]" 1
744 1 59 CYS HA 1 59 CYS HB3 . . 2.640 2.474 2.460 2.491 . 0 0 "[ . 1 . 2]" 1
745 1 59 CYS HA 1 61 ASN H . . 4.340 3.632 3.545 3.680 . 0 0 "[ . 1 . 2]" 1
746 1 59 CYS HB2 1 60 ASN H . . 4.300 4.229 4.195 4.258 . 0 0 "[ . 1 . 2]" 1
747 1 59 CYS HB3 1 60 ASN H . . 4.580 4.122 4.103 4.143 . 0 0 "[ . 1 . 2]" 1
748 1 60 ASN H 1 60 ASN HB2 . . 3.930 3.627 3.617 3.631 . 0 0 "[ . 1 . 2]" 1
749 1 60 ASN H 1 60 ASN HB3 . . 3.230 2.710 2.682 2.780 . 0 0 "[ . 1 . 2]" 1
750 1 60 ASN H 1 61 ASN H . . 3.450 3.231 3.133 3.281 . 0 0 "[ . 1 . 2]" 1
751 1 60 ASN HA 1 60 ASN HB2 . . 2.750 2.472 2.457 2.508 . 0 0 "[ . 1 . 2]" 1
752 1 60 ASN HA 1 60 ASN HB3 . . 2.860 2.515 2.479 2.531 . 0 0 "[ . 1 . 2]" 1
753 1 60 ASN HA 1 61 ASN H . . 3.640 2.787 2.757 2.850 . 0 0 "[ . 1 . 2]" 1
754 1 60 ASN HB2 1 60 ASN HD21 . . 2.960 2.159 2.128 2.194 . 0 0 "[ . 1 . 2]" 1
755 1 60 ASN HB2 1 60 ASN HD22 . . 3.470 3.468 3.455 3.482 0.012 17 0 "[ . 1 . 2]" 1
756 1 60 ASN HB3 1 60 ASN HD21 . . 3.520 3.023 2.954 3.097 . 0 0 "[ . 1 . 2]" 1
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