NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
584431 |
2muq   |
25229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2muq
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 832
_Distance_constraint_stats_list.Viol_count 218
_Distance_constraint_stats_list.Viol_total 26.256
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0120
_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 5 ALA 0.000 0.000 . 0 "[ . 1]"
1 6 ALA 0.053 0.014 8 0 "[ . 1]"
1 7 ALA 0.054 0.014 8 0 "[ . 1]"
1 8 LEU 0.047 0.007 9 0 "[ . 1]"
1 9 ARG 0.067 0.016 8 0 "[ . 1]"
1 10 SER 0.543 0.041 8 0 "[ . 1]"
1 11 CYS 0.204 0.019 9 0 "[ . 1]"
1 12 PRO 0.010 0.007 6 0 "[ . 1]"
1 13 MET 0.098 0.021 6 0 "[ . 1]"
1 14 CYS 0.443 0.033 3 0 "[ . 1]"
1 15 GLN 0.416 0.049 9 0 "[ . 1]"
1 16 LYS 0.736 0.071 2 0 "[ . 1]"
1 17 GLU 0.461 0.051 2 0 "[ . 1]"
1 18 PHE 0.464 0.071 2 0 "[ . 1]"
1 19 ALA 0.021 0.006 7 0 "[ . 1]"
1 20 PRO 0.000 0.000 . 0 "[ . 1]"
1 21 ARG 0.157 0.089 9 0 "[ . 1]"
1 22 LEU 0.105 0.058 7 0 "[ . 1]"
1 23 THR 0.015 0.004 9 0 "[ . 1]"
1 24 GLN 0.000 0.000 2 0 "[ . 1]"
1 25 LEU 0.011 0.007 6 0 "[ . 1]"
1 26 ASP 0.010 0.004 5 0 "[ . 1]"
1 27 VAL 0.027 0.004 8 0 "[ . 1]"
1 28 ASP 0.029 0.007 6 0 "[ . 1]"
1 29 SER 0.030 0.014 1 0 "[ . 1]"
1 30 HIS 0.251 0.026 7 0 "[ . 1]"
1 31 LEU 0.079 0.021 6 0 "[ . 1]"
1 32 ALA 0.014 0.006 5 0 "[ . 1]"
1 33 GLN 0.028 0.016 9 0 "[ . 1]"
1 34 CYS 0.184 0.029 10 0 "[ . 1]"
1 35 LEU 0.034 0.012 6 0 "[ . 1]"
1 36 ALA 0.023 0.012 6 0 "[ . 1]"
1 37 GLU 0.032 0.023 5 0 "[ . 1]"
1 38 SER 0.117 0.054 10 0 "[ . 1]"
1 39 THR 0.056 0.029 9 0 "[ . 1]"
1 40 GLU 0.054 0.044 9 0 "[ . 1]"
1 41 ASP 0.010 0.006 2 0 "[ . 1]"
1 42 VAL 0.000 0.000 . 0 "[ . 1]"
1 43 THR 0.002 0.002 10 0 "[ . 1]"
1 44 TRP 0.006 0.005 10 0 "[ . 1]"
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 5 ALA MB 1 6 ALA H . . 4.150 2.980 2.224 3.675 . 0 0 "[ . 1]" 1
2 1 6 ALA HA 1 7 ALA H . . 3.240 2.653 2.142 3.178 . 0 0 "[ . 1]" 1
3 1 6 ALA MB 1 7 ALA H . . 3.400 3.036 2.219 3.414 0.014 8 0 "[ . 1]" 1
4 1 7 ALA H 1 7 ALA MB . . 3.570 2.654 2.318 2.901 . 0 0 "[ . 1]" 1
5 1 7 ALA HA 1 8 LEU H . . 2.710 2.373 2.151 2.577 . 0 0 "[ . 1]" 1
6 1 7 ALA MB 1 8 LEU H . . 3.370 2.622 2.194 3.371 0.001 6 0 "[ . 1]" 1
7 1 7 ALA MB 1 27 VAL MG2 . . 5.850 5.143 3.751 5.808 . 0 0 "[ . 1]" 1
8 1 8 LEU H 1 8 LEU QB . . 3.210 2.995 2.674 3.151 . 0 0 "[ . 1]" 1
9 1 8 LEU H 1 8 LEU HG . . 3.240 2.227 2.000 2.876 . 0 0 "[ . 1]" 1
10 1 8 LEU H 1 8 LEU MD2 . . 4.260 3.230 1.919 4.077 . 0 0 "[ . 1]" 1
11 1 8 LEU H 1 8 LEU MD1 . . 4.260 2.954 1.932 3.842 . 0 0 "[ . 1]" 1
12 1 8 LEU H 1 8 LEU QD . . 3.720 2.346 1.914 3.003 . 0 0 "[ . 1]" 1
13 1 8 LEU HA 1 8 LEU QD . . 4.040 3.205 2.189 3.388 . 0 0 "[ . 1]" 1
14 1 8 LEU HA 1 9 ARG H . . 3.470 2.243 2.181 2.344 . 0 0 "[ . 1]" 1
15 1 8 LEU QB 1 9 ARG H . . 4.150 2.814 2.530 3.001 . 0 0 "[ . 1]" 1
16 1 8 LEU MD1 1 9 ARG H . . 5.670 4.207 3.513 4.983 . 0 0 "[ . 1]" 1
17 1 8 LEU MD2 1 9 ARG H . . 5.670 4.722 3.877 5.044 . 0 0 "[ . 1]" 1
18 1 8 LEU QD 1 9 ARG H . . 4.720 3.841 3.409 4.292 . 0 0 "[ . 1]" 1
19 1 8 LEU HA 1 10 SER H . . 4.290 3.744 3.615 3.902 . 0 0 "[ . 1]" 1
20 1 8 LEU QB 1 10 SER H . . 3.710 2.354 2.190 2.540 . 0 0 "[ . 1]" 1
21 1 8 LEU MD1 1 10 SER H . . 4.910 3.175 2.367 4.485 . 0 0 "[ . 1]" 1
22 1 8 LEU MD2 1 10 SER H . . 4.910 4.328 3.783 4.916 0.006 2 0 "[ . 1]" 1
23 1 8 LEU QD 1 10 SER H . . 4.320 3.038 2.348 3.929 . 0 0 "[ . 1]" 1
24 1 8 LEU QB 1 11 CYS H . . 5.790 5.539 5.210 5.763 . 0 0 "[ . 1]" 1
25 1 8 LEU QD 1 11 CYS H . . 5.990 4.836 4.419 5.623 . 0 0 "[ . 1]" 1
26 1 8 LEU MD2 1 12 PRO HD3 . . 5.810 3.605 2.417 4.875 . 0 0 "[ . 1]" 1
27 1 8 LEU MD1 1 12 PRO HD3 . . 5.810 3.451 2.457 4.758 . 0 0 "[ . 1]" 1
28 1 8 LEU QD 1 12 PRO QG . . 5.570 2.635 2.251 3.098 . 0 0 "[ . 1]" 1
29 1 8 LEU QD 1 12 PRO HD3 . . 5.050 2.696 2.389 3.220 . 0 0 "[ . 1]" 1
30 1 8 LEU QD 1 13 MET H . . 5.530 4.750 4.481 5.171 . 0 0 "[ . 1]" 1
31 1 8 LEU QB 1 18 PHE QD . . 5.020 4.852 4.262 5.026 0.006 3 0 "[ . 1]" 1
32 1 8 LEU QB 1 18 PHE QE . . 4.350 4.131 3.203 4.357 0.007 9 0 "[ . 1]" 1
33 1 8 LEU HG 1 18 PHE QE . . 6.060 5.091 3.598 6.066 0.006 8 0 "[ . 1]" 1
34 1 8 LEU QD 1 18 PHE QE . . 4.550 2.913 2.283 4.401 . 0 0 "[ . 1]" 1
35 1 8 LEU H 1 27 VAL MG1 . . 5.000 3.904 2.937 4.521 . 0 0 "[ . 1]" 1
36 1 8 LEU H 1 27 VAL MG2 . . 5.640 5.267 4.736 5.641 0.001 5 0 "[ . 1]" 1
37 1 9 ARG HA 1 9 ARG HD3 . . 5.430 2.665 2.048 3.338 . 0 0 "[ . 1]" 1
38 1 9 ARG HA 1 9 ARG HD2 . . 5.430 2.966 2.000 3.881 . 0 0 "[ . 1]" 1
39 1 9 ARG H 1 9 ARG HB2 . . 4.160 2.472 2.210 2.730 . 0 0 "[ . 1]" 1
40 1 9 ARG H 1 9 ARG QG . . 4.260 4.089 3.856 4.273 0.013 7 0 "[ . 1]" 1
41 1 9 ARG H 1 9 ARG QD . . 5.330 3.863 2.772 4.524 . 0 0 "[ . 1]" 1
42 1 9 ARG HA 1 9 ARG QD . . 4.770 2.265 1.980 3.143 . 0 0 "[ . 1]" 1
43 1 9 ARG HA 1 10 SER H . . 3.260 3.153 3.097 3.264 0.004 8 0 "[ . 1]" 1
44 1 9 ARG HB3 1 10 SER H . . 4.080 3.858 3.613 4.071 . 0 0 "[ . 1]" 1
45 1 9 ARG HB2 1 10 SER H . . 4.380 4.170 3.829 4.325 . 0 0 "[ . 1]" 1
46 1 9 ARG QD 1 10 SER H . . 5.110 4.811 4.519 4.992 . 0 0 "[ . 1]" 1
47 1 9 ARG H 1 10 SER H . . 5.320 2.401 2.113 2.519 . 0 0 "[ . 1]" 1
48 1 9 ARG HA 1 18 PHE HB2 . . 5.930 4.010 3.728 4.099 . 0 0 "[ . 1]" 1
49 1 9 ARG HB2 1 18 PHE HB2 . . 6.110 5.835 5.764 5.902 . 0 0 "[ . 1]" 1
50 1 9 ARG HB3 1 18 PHE HB2 . . 6.110 4.818 4.326 4.984 . 0 0 "[ . 1]" 1
51 1 9 ARG QG 1 18 PHE HB2 . . 6.110 3.700 3.262 4.587 . 0 0 "[ . 1]" 1
52 1 9 ARG QG 1 18 PHE HB3 . . 6.460 4.861 4.480 5.650 . 0 0 "[ . 1]" 1
53 1 9 ARG HB3 1 18 PHE HB3 . . 6.610 6.446 5.926 6.620 0.010 8 0 "[ . 1]" 1
54 1 9 ARG HB2 1 18 PHE QD . . 5.650 5.361 5.262 5.438 . 0 0 "[ . 1]" 1
55 1 9 ARG HB3 1 18 PHE QD . . 4.830 4.749 4.456 4.846 0.016 8 0 "[ . 1]" 1
56 1 9 ARG HA 1 18 PHE QD . . 4.250 3.051 2.946 3.124 . 0 0 "[ . 1]" 1
57 1 9 ARG QG 1 18 PHE QD . . 4.600 4.152 3.863 4.603 0.003 4 0 "[ . 1]" 1
58 1 9 ARG QG 1 18 PHE H . . 5.960 4.956 4.512 5.937 . 0 0 "[ . 1]" 1
59 1 9 ARG HB3 1 18 PHE H . . 5.400 5.246 4.945 5.351 . 0 0 "[ . 1]" 1
60 1 9 ARG QD 1 18 PHE QD . . 5.050 4.479 3.916 5.060 0.010 4 0 "[ . 1]" 1
61 1 9 ARG HD3 1 27 VAL MG2 . . 5.760 4.475 3.467 5.520 . 0 0 "[ . 1]" 1
62 1 9 ARG HD2 1 27 VAL MG2 . . 5.760 4.203 3.628 5.678 . 0 0 "[ . 1]" 1
63 1 9 ARG QD 1 27 VAL MG1 . . 5.600 4.623 4.290 5.222 . 0 0 "[ . 1]" 1
64 1 9 ARG QD 1 27 VAL MG2 . . 4.900 3.706 3.310 4.293 . 0 0 "[ . 1]" 1
65 1 10 SER H 1 10 SER HB3 . . 3.940 3.669 3.643 3.687 . 0 0 "[ . 1]" 1
66 1 10 SER H 1 10 SER HB2 . . 3.910 3.774 3.749 3.798 . 0 0 "[ . 1]" 1
67 1 10 SER HB3 1 11 CYS H . . 3.410 3.342 3.300 3.389 . 0 0 "[ . 1]" 1
68 1 10 SER HB2 1 11 CYS H . . 3.130 2.253 2.186 2.315 . 0 0 "[ . 1]" 1
69 1 10 SER HA 1 11 CYS H . . 2.630 2.506 2.480 2.530 . 0 0 "[ . 1]" 1
70 1 10 SER H 1 12 PRO HD2 . . 5.570 5.069 5.033 5.123 . 0 0 "[ . 1]" 1
71 1 10 SER H 1 12 PRO HD3 . . 5.520 3.971 3.929 4.046 . 0 0 "[ . 1]" 1
72 1 10 SER HB2 1 15 GLN HA . . 5.010 5.040 5.018 5.051 0.041 8 0 "[ . 1]" 1
73 1 10 SER HB3 1 15 GLN HA . . 6.660 6.527 6.505 6.566 . 0 0 "[ . 1]" 1
74 1 10 SER HB3 1 16 LYS HA . . 7.000 6.258 6.197 6.348 . 0 0 "[ . 1]" 1
75 1 10 SER HB2 1 16 LYS H . . 4.750 4.376 4.343 4.425 . 0 0 "[ . 1]" 1
76 1 10 SER HB3 1 16 LYS H . . 5.880 5.716 5.661 5.792 . 0 0 "[ . 1]" 1
77 1 10 SER HB2 1 17 GLU HA . . 4.640 3.237 3.161 3.302 . 0 0 "[ . 1]" 1
78 1 10 SER HB3 1 17 GLU HA . . 4.270 2.581 2.503 2.660 . 0 0 "[ . 1]" 1
79 1 10 SER HA 1 17 GLU HA . . 4.050 3.127 3.095 3.167 . 0 0 "[ . 1]" 1
80 1 10 SER HB2 1 17 GLU HG3 . . 6.310 4.837 4.502 5.386 . 0 0 "[ . 1]" 1
81 1 10 SER HB3 1 17 GLU HG3 . . 6.020 4.437 4.123 4.753 . 0 0 "[ . 1]" 1
82 1 10 SER HA 1 17 GLU H . . 5.830 5.591 5.511 5.669 . 0 0 "[ . 1]" 1
83 1 10 SER HB3 1 17 GLU H . . 5.410 5.368 5.309 5.413 0.003 2 0 "[ . 1]" 1
84 1 10 SER HB2 1 17 GLU H . . 5.740 5.404 5.328 5.482 . 0 0 "[ . 1]" 1
85 1 10 SER H 1 17 GLU HA . . 5.700 5.719 5.708 5.735 0.035 2 0 "[ . 1]" 1
86 1 10 SER HA 1 18 PHE HB2 . . 4.840 3.315 3.274 3.395 . 0 0 "[ . 1]" 1
87 1 10 SER HA 1 18 PHE QE . . 3.840 3.308 3.268 3.435 . 0 0 "[ . 1]" 1
88 1 10 SER H 1 18 PHE HB3 . . 6.420 6.403 6.240 6.433 0.013 9 0 "[ . 1]" 1
89 1 10 SER H 1 18 PHE HB2 . . 5.160 4.956 4.799 5.003 . 0 0 "[ . 1]" 1
90 1 10 SER HA 1 18 PHE H . . 3.270 2.532 2.451 2.638 . 0 0 "[ . 1]" 1
91 1 10 SER HB3 1 18 PHE H . . 4.100 3.120 3.026 3.221 . 0 0 "[ . 1]" 1
92 1 10 SER HB2 1 18 PHE H . . 4.310 4.225 4.157 4.305 . 0 0 "[ . 1]" 1
93 1 10 SER H 1 18 PHE QD . . 3.970 3.274 3.192 3.335 . 0 0 "[ . 1]" 1
94 1 10 SER H 1 18 PHE QE . . 4.660 3.518 3.436 3.616 . 0 0 "[ . 1]" 1
95 1 11 CYS H 1 11 CYS HB3 . . 2.880 2.786 2.757 2.810 . 0 0 "[ . 1]" 1
96 1 11 CYS H 1 11 CYS HB2 . . 2.870 2.684 2.659 2.755 . 0 0 "[ . 1]" 1
97 1 11 CYS HB2 1 12 PRO HD2 . . 5.510 4.504 4.470 4.524 . 0 0 "[ . 1]" 1
98 1 11 CYS HB2 1 12 PRO HD3 . . 5.610 5.011 5.002 5.015 . 0 0 "[ . 1]" 1
99 1 11 CYS HB3 1 12 PRO HD2 . . 6.420 4.619 4.606 4.641 . 0 0 "[ . 1]" 1
100 1 11 CYS HB3 1 12 PRO HD3 . . 6.250 5.068 5.063 5.075 . 0 0 "[ . 1]" 1
101 1 11 CYS HA 1 12 PRO HD3 . . 3.840 2.619 2.606 2.635 . 0 0 "[ . 1]" 1
102 1 11 CYS H 1 12 PRO HD2 . . 4.570 4.460 4.441 4.474 . 0 0 "[ . 1]" 1
103 1 11 CYS H 1 12 PRO HD3 . . 4.440 3.943 3.912 3.969 . 0 0 "[ . 1]" 1
104 1 11 CYS H 1 12 PRO HA . . 5.460 4.907 4.874 4.923 . 0 0 "[ . 1]" 1
105 1 11 CYS HA 1 13 MET H . . 4.220 3.233 3.221 3.240 . 0 0 "[ . 1]" 1
106 1 11 CYS HB3 1 13 MET H . . 4.310 3.932 3.904 3.971 . 0 0 "[ . 1]" 1
107 1 11 CYS HB2 1 13 MET H . . 4.780 4.760 4.727 4.777 . 0 0 "[ . 1]" 1
108 1 11 CYS HA 1 14 CYS H . . 4.750 4.538 4.515 4.566 . 0 0 "[ . 1]" 1
109 1 11 CYS HB3 1 14 CYS H . . 3.520 3.282 3.230 3.357 . 0 0 "[ . 1]" 1
110 1 11 CYS HB2 1 14 CYS H . . 4.830 4.762 4.725 4.816 . 0 0 "[ . 1]" 1
111 1 11 CYS HB3 1 15 GLN HA . . 6.350 4.772 4.739 4.803 . 0 0 "[ . 1]" 1
112 1 11 CYS HB3 1 15 GLN H . . 4.100 3.986 3.925 4.022 . 0 0 "[ . 1]" 1
113 1 11 CYS HA 1 15 GLN H . . 5.300 5.258 5.179 5.288 . 0 0 "[ . 1]" 1
114 1 11 CYS H 1 15 GLN HA . . 5.200 4.956 4.874 4.980 . 0 0 "[ . 1]" 1
115 1 11 CYS H 1 15 GLN QG . . 6.610 6.544 6.241 6.622 0.012 6 0 "[ . 1]" 1
116 1 11 CYS HB2 1 16 LYS HA . . 6.630 5.602 5.514 5.749 . 0 0 "[ . 1]" 1
117 1 11 CYS HB2 1 16 LYS HB2 . . 5.860 4.700 4.538 5.023 . 0 0 "[ . 1]" 1
118 1 11 CYS HB2 1 16 LYS HB3 . . 5.290 2.970 2.819 3.267 . 0 0 "[ . 1]" 1
119 1 11 CYS HB2 1 16 LYS HG2 . . 6.200 3.981 3.844 4.139 . 0 0 "[ . 1]" 1
120 1 11 CYS HB2 1 16 LYS HG3 . . 6.140 5.421 5.316 5.588 . 0 0 "[ . 1]" 1
121 1 11 CYS HB3 1 16 LYS HA . . 6.730 4.525 4.483 4.603 . 0 0 "[ . 1]" 1
122 1 11 CYS HB3 1 16 LYS HB2 . . 5.870 3.576 3.463 3.843 . 0 0 "[ . 1]" 1
123 1 11 CYS HB3 1 16 LYS HB3 . . 5.440 2.059 1.989 2.236 . 0 0 "[ . 1]" 1
124 1 11 CYS HB3 1 16 LYS HG2 . . 6.710 3.988 3.843 4.117 . 0 0 "[ . 1]" 1
125 1 11 CYS HB3 1 16 LYS HG3 . . 6.630 4.972 4.937 5.063 . 0 0 "[ . 1]" 1
126 1 11 CYS H 1 16 LYS HA . . 5.540 4.766 4.725 4.843 . 0 0 "[ . 1]" 1
127 1 11 CYS H 1 16 LYS HB2 . . 5.350 5.114 5.013 5.342 . 0 0 "[ . 1]" 1
128 1 11 CYS H 1 16 LYS HB3 . . 4.170 3.596 3.477 3.872 . 0 0 "[ . 1]" 1
129 1 11 CYS H 1 16 LYS HG2 . . 4.720 4.215 4.134 4.346 . 0 0 "[ . 1]" 1
130 1 11 CYS H 1 16 LYS HG3 . . 6.250 5.420 5.247 5.553 . 0 0 "[ . 1]" 1
131 1 11 CYS HB2 1 16 LYS H . . 4.000 3.952 3.895 4.019 0.019 9 0 "[ . 1]" 1
132 1 11 CYS HB3 1 16 LYS H . . 3.070 2.421 2.381 2.456 . 0 0 "[ . 1]" 1
133 1 11 CYS HA 1 16 LYS H . . 4.670 4.536 4.504 4.587 . 0 0 "[ . 1]" 1
134 1 11 CYS H 1 17 GLU HA . . 3.790 3.434 3.395 3.453 . 0 0 "[ . 1]" 1
135 1 11 CYS H 1 17 GLU QB . . 5.770 5.410 5.392 5.437 . 0 0 "[ . 1]" 1
136 1 11 CYS H 1 17 GLU HG2 . . 5.750 5.051 4.748 5.309 . 0 0 "[ . 1]" 1
137 1 11 CYS HB2 1 18 PHE HZ . . 3.500 2.355 2.323 2.371 . 0 0 "[ . 1]" 1
138 1 11 CYS HB2 1 18 PHE QE . . 3.980 2.984 2.894 3.035 . 0 0 "[ . 1]" 1
139 1 11 CYS HB3 1 18 PHE QD . . 5.820 5.505 5.457 5.543 . 0 0 "[ . 1]" 1
140 1 11 CYS HB2 1 18 PHE QD . . 4.740 4.334 4.309 4.369 . 0 0 "[ . 1]" 1
141 1 11 CYS HA 1 18 PHE QE . . 4.290 3.510 3.415 3.612 . 0 0 "[ . 1]" 1
142 1 11 CYS HB3 1 18 PHE QE . . 4.650 4.285 4.205 4.322 . 0 0 "[ . 1]" 1
143 1 11 CYS HA 1 18 PHE HZ . . 3.890 3.600 3.488 3.708 . 0 0 "[ . 1]" 1
144 1 11 CYS HB3 1 18 PHE HZ . . 4.070 4.071 4.050 4.088 0.018 2 0 "[ . 1]" 1
145 1 11 CYS H 1 18 PHE HB2 . . 5.960 5.491 5.437 5.563 . 0 0 "[ . 1]" 1
146 1 11 CYS H 1 18 PHE QE . . 4.060 3.920 3.853 3.973 . 0 0 "[ . 1]" 1
147 1 11 CYS H 1 18 PHE QD . . 4.560 4.338 4.244 4.404 . 0 0 "[ . 1]" 1
148 1 11 CYS H 1 18 PHE HZ . . 4.590 4.367 4.254 4.466 . 0 0 "[ . 1]" 1
149 1 11 CYS HA 1 30 HIS HD2 . . 5.480 5.241 5.214 5.281 . 0 0 "[ . 1]" 1
150 1 11 CYS HB3 1 30 HIS HD2 . . 4.580 4.514 4.488 4.546 . 0 0 "[ . 1]" 1
151 1 11 CYS HB2 1 30 HIS HD2 . . 3.840 3.845 3.836 3.853 0.013 6 0 "[ . 1]" 1
152 1 11 CYS HB2 1 31 LEU HA . . 6.940 5.319 5.195 5.412 . 0 0 "[ . 1]" 1
153 1 11 CYS HB2 1 31 LEU MD2 . . 5.340 3.612 3.434 3.680 . 0 0 "[ . 1]" 1
154 1 11 CYS HB3 1 31 LEU MD2 . . 5.960 4.465 4.319 4.572 . 0 0 "[ . 1]" 1
155 1 11 CYS HA 1 31 LEU MD2 . . 4.700 2.759 2.630 2.872 . 0 0 "[ . 1]" 1
156 1 11 CYS H 1 31 LEU MD2 . . 5.040 4.978 4.838 5.044 0.004 6 0 "[ . 1]" 1
157 1 11 CYS HB2 1 31 LEU H . . 6.080 6.015 5.955 6.068 . 0 0 "[ . 1]" 1
158 1 12 PRO HD2 1 13 MET ME . . 5.910 4.081 3.726 4.514 . 0 0 "[ . 1]" 1
159 1 12 PRO HG2 1 13 MET H . . 3.830 3.061 3.054 3.070 . 0 0 "[ . 1]" 1
160 1 12 PRO HG3 1 13 MET H . . 4.680 4.400 4.395 4.407 . 0 0 "[ . 1]" 1
161 1 12 PRO HB3 1 13 MET H . . 4.460 4.416 4.413 4.419 . 0 0 "[ . 1]" 1
162 1 12 PRO HB2 1 13 MET H . . 4.460 3.808 3.804 3.814 . 0 0 "[ . 1]" 1
163 1 12 PRO HD2 1 13 MET H . . 3.610 2.849 2.846 2.854 . 0 0 "[ . 1]" 1
164 1 12 PRO HD3 1 13 MET H . . 4.030 3.950 3.948 3.953 . 0 0 "[ . 1]" 1
165 1 12 PRO QB 1 13 MET H . . 3.770 3.595 3.592 3.600 . 0 0 "[ . 1]" 1
166 1 12 PRO HA 1 14 CYS H . . 5.010 4.194 4.074 4.266 . 0 0 "[ . 1]" 1
167 1 12 PRO HD2 1 14 CYS H . . 5.230 5.003 4.971 5.032 . 0 0 "[ . 1]" 1
168 1 12 PRO HG2 1 14 CYS H . . 5.790 5.466 5.416 5.492 . 0 0 "[ . 1]" 1
169 1 12 PRO HG3 1 14 CYS H . . 6.780 6.655 6.587 6.689 . 0 0 "[ . 1]" 1
170 1 12 PRO HD3 1 14 CYS H . . 5.950 5.802 5.738 5.832 . 0 0 "[ . 1]" 1
171 1 12 PRO HA 1 15 GLN H . . 4.590 3.131 3.083 3.164 . 0 0 "[ . 1]" 1
172 1 12 PRO HD3 1 18 PHE QE . . 4.870 4.831 4.771 4.877 0.007 6 0 "[ . 1]" 1
173 1 12 PRO HD2 1 18 PHE HZ . . 5.420 5.223 5.101 5.332 . 0 0 "[ . 1]" 1
174 1 12 PRO HD3 1 18 PHE HZ . . 6.030 5.916 5.771 6.031 0.001 6 0 "[ . 1]" 1
175 1 12 PRO HD3 1 31 LEU MD2 . . 4.640 4.106 3.986 4.283 . 0 0 "[ . 1]" 1
176 1 12 PRO HD2 1 31 LEU MD2 . . 4.430 2.946 2.790 3.131 . 0 0 "[ . 1]" 1
177 1 13 MET HB2 1 13 MET ME . . 5.000 2.319 1.985 2.685 . 0 0 "[ . 1]" 1
178 1 13 MET HB3 1 13 MET ME . . 5.000 3.087 2.480 3.501 . 0 0 "[ . 1]" 1
179 1 13 MET H 1 13 MET HG3 . . 4.700 3.543 2.825 4.142 . 0 0 "[ . 1]" 1
180 1 13 MET H 1 13 MET HG2 . . 4.700 4.220 3.812 4.522 . 0 0 "[ . 1]" 1
181 1 13 MET H 1 13 MET ME . . 4.020 3.675 3.420 3.824 . 0 0 "[ . 1]" 1
182 1 13 MET H 1 13 MET HB3 . . 3.540 3.326 2.930 3.537 . 0 0 "[ . 1]" 1
183 1 13 MET H 1 13 MET HB2 . . 3.540 2.206 2.147 2.253 . 0 0 "[ . 1]" 1
184 1 13 MET H 1 13 MET QB . . 3.030 2.171 2.127 2.229 . 0 0 "[ . 1]" 1
185 1 13 MET H 1 13 MET QG . . 4.070 3.354 2.754 3.834 . 0 0 "[ . 1]" 1
186 1 13 MET QB 1 13 MET ME . . 4.340 2.252 1.909 2.602 . 0 0 "[ . 1]" 1
187 1 13 MET HG3 1 14 CYS H . . 5.220 4.929 4.701 5.114 . 0 0 "[ . 1]" 1
188 1 13 MET HG2 1 14 CYS H . . 5.220 4.971 4.549 5.237 0.017 9 0 "[ . 1]" 1
189 1 13 MET HB3 1 14 CYS H . . 3.740 3.220 2.728 3.590 . 0 0 "[ . 1]" 1
190 1 13 MET HB2 1 14 CYS H . . 3.740 3.089 2.822 3.538 . 0 0 "[ . 1]" 1
191 1 13 MET ME 1 14 CYS H . . 5.050 4.765 4.557 5.037 . 0 0 "[ . 1]" 1
192 1 13 MET H 1 14 CYS HA . . 5.140 5.121 5.109 5.136 . 0 0 "[ . 1]" 1
193 1 13 MET H 1 14 CYS HB2 . . 6.480 6.245 6.219 6.260 . 0 0 "[ . 1]" 1
194 1 13 MET H 1 14 CYS HB3 . . 5.290 5.217 5.173 5.242 . 0 0 "[ . 1]" 1
195 1 13 MET H 1 14 CYS H . . 4.270 2.473 2.445 2.493 . 0 0 "[ . 1]" 1
196 1 13 MET QB 1 14 CYS H . . 3.240 2.721 2.641 2.793 . 0 0 "[ . 1]" 1
197 1 13 MET QG 1 14 CYS H . . 4.570 4.386 4.252 4.531 . 0 0 "[ . 1]" 1
198 1 13 MET H 1 15 GLN HA . . 5.290 5.065 5.043 5.107 . 0 0 "[ . 1]" 1
199 1 13 MET HA 1 15 GLN H . . 4.920 4.295 4.271 4.347 . 0 0 "[ . 1]" 1
200 1 13 MET ME 1 31 LEU HB3 . . 5.240 3.197 2.789 3.557 . 0 0 "[ . 1]" 1
201 1 13 MET ME 1 31 LEU MD2 . . 4.330 2.137 1.715 2.686 . 0 0 "[ . 1]" 1
202 1 13 MET ME 1 31 LEU HA . . 4.810 2.659 2.406 2.856 . 0 0 "[ . 1]" 1
203 1 13 MET ME 1 31 LEU H . . 5.150 4.960 4.759 5.171 0.021 6 0 "[ . 1]" 1
204 1 13 MET H 1 31 LEU MD2 . . 4.630 4.105 3.944 4.257 . 0 0 "[ . 1]" 1
205 1 13 MET H 1 31 LEU MD1 . . 6.580 6.381 6.101 6.588 0.008 9 0 "[ . 1]" 1
206 1 13 MET ME 1 34 CYS HB2 . . 4.820 3.505 3.266 3.948 . 0 0 "[ . 1]" 1
207 1 13 MET HB3 1 34 CYS HB2 . . 5.620 4.722 4.342 4.993 . 0 0 "[ . 1]" 1
208 1 13 MET HB2 1 34 CYS HB2 . . 5.620 4.658 4.277 5.155 . 0 0 "[ . 1]" 1
209 1 13 MET HB3 1 34 CYS HB3 . . 5.010 3.577 3.373 3.781 . 0 0 "[ . 1]" 1
210 1 13 MET HB2 1 34 CYS HB3 . . 5.010 3.575 3.266 3.967 . 0 0 "[ . 1]" 1
211 1 13 MET ME 1 34 CYS HB3 . . 4.620 2.298 2.041 2.816 . 0 0 "[ . 1]" 1
212 1 13 MET H 1 34 CYS HB3 . . 5.610 5.473 5.346 5.576 . 0 0 "[ . 1]" 1
213 1 13 MET H 1 34 CYS HB2 . . 6.250 6.199 6.062 6.260 0.010 9 0 "[ . 1]" 1
214 1 13 MET ME 1 34 CYS H . . 4.870 4.140 3.876 4.667 . 0 0 "[ . 1]" 1
215 1 13 MET QB 1 34 CYS HB2 . . 4.870 4.127 4.017 4.184 . 0 0 "[ . 1]" 1
216 1 13 MET QB 1 34 CYS HB3 . . 4.340 3.157 3.033 3.218 . 0 0 "[ . 1]" 1
217 1 13 MET ME 1 35 LEU HA . . 5.470 3.517 2.927 3.882 . 0 0 "[ . 1]" 1
218 1 13 MET ME 1 35 LEU MD1 . . 6.140 3.932 2.826 4.702 . 0 0 "[ . 1]" 1
219 1 13 MET ME 1 35 LEU MD2 . . 6.140 2.838 2.482 3.128 . 0 0 "[ . 1]" 1
220 1 13 MET ME 1 35 LEU QB . . 5.690 2.773 1.954 3.740 . 0 0 "[ . 1]" 1
221 1 13 MET ME 1 35 LEU H . . 3.890 2.960 2.471 3.352 . 0 0 "[ . 1]" 1
222 1 13 MET QG 1 35 LEU H . . 6.500 5.199 4.403 5.982 . 0 0 "[ . 1]" 1
223 1 13 MET ME 1 35 LEU QD . . 5.360 2.740 2.334 3.082 . 0 0 "[ . 1]" 1
224 1 13 MET ME 1 36 ALA H . . 5.480 5.106 4.609 5.474 . 0 0 "[ . 1]" 1
225 1 13 MET ME 1 37 GLU H . . 6.620 6.210 5.812 6.617 . 0 0 "[ . 1]" 1
226 1 14 CYS H 1 14 CYS HB2 . . 3.890 3.807 3.795 3.832 . 0 0 "[ . 1]" 1
227 1 14 CYS H 1 14 CYS HB3 . . 3.450 3.061 3.038 3.104 . 0 0 "[ . 1]" 1
228 1 14 CYS HA 1 15 GLN QG . . 5.960 4.659 4.263 5.848 . 0 0 "[ . 1]" 1
229 1 14 CYS HB2 1 15 GLN H . . 4.550 4.412 4.372 4.424 . 0 0 "[ . 1]" 1
230 1 14 CYS HB3 1 15 GLN H . . 4.550 4.415 4.373 4.427 . 0 0 "[ . 1]" 1
231 1 14 CYS H 1 15 GLN HA . . 4.370 4.183 4.128 4.220 . 0 0 "[ . 1]" 1
232 1 14 CYS H 1 15 GLN H . . 3.890 2.052 1.965 2.104 . 0 0 "[ . 1]" 1
233 1 14 CYS H 1 15 GLN QB . . 5.120 4.740 4.519 4.843 . 0 0 "[ . 1]" 1
234 1 14 CYS HB3 1 16 LYS H . . 5.380 5.366 5.361 5.380 . 0 0 "[ . 1]" 1
235 1 14 CYS HB2 1 16 LYS H . . 5.030 5.056 5.037 5.063 0.033 3 0 "[ . 1]" 1
236 1 14 CYS HA 1 16 LYS H . . 5.290 5.134 5.116 5.190 . 0 0 "[ . 1]" 1
237 1 14 CYS H 1 31 LEU MD2 . . 5.550 5.343 5.169 5.503 . 0 0 "[ . 1]" 1
238 1 14 CYS H 1 34 CYS HB3 . . 5.510 5.514 5.461 5.539 0.029 10 0 "[ . 1]" 1
239 1 14 CYS H 1 34 CYS HB2 . . 5.860 5.815 5.767 5.875 0.015 2 0 "[ . 1]" 1
240 1 15 GLN H 1 15 GLN HA . . 2.640 2.274 2.273 2.275 . 0 0 "[ . 1]" 1
241 1 15 GLN H 1 15 GLN QG . . 3.900 3.175 2.886 3.949 0.049 9 0 "[ . 1]" 1
242 1 15 GLN H 1 15 GLN HB2 . . 4.190 3.306 3.074 3.434 . 0 0 "[ . 1]" 1
243 1 15 GLN H 1 15 GLN HB3 . . 4.190 4.042 3.849 4.090 . 0 0 "[ . 1]" 1
244 1 15 GLN H 1 15 GLN QB . . 3.510 3.165 2.962 3.264 . 0 0 "[ . 1]" 1
245 1 15 GLN H 1 16 LYS HB2 . . 5.330 5.056 5.033 5.132 . 0 0 "[ . 1]" 1
246 1 15 GLN H 1 16 LYS HB3 . . 5.200 4.802 4.692 4.842 . 0 0 "[ . 1]" 1
247 1 15 GLN HA 1 16 LYS H . . 3.110 2.652 2.641 2.656 . 0 0 "[ . 1]" 1
248 1 15 GLN QG 1 16 LYS H . . 4.670 4.488 4.304 4.598 . 0 0 "[ . 1]" 1
249 1 15 GLN HB3 1 16 LYS H . . 4.670 4.340 4.286 4.371 . 0 0 "[ . 1]" 1
250 1 15 GLN HB2 1 16 LYS H . . 4.670 4.441 4.388 4.600 . 0 0 "[ . 1]" 1
251 1 15 GLN H 1 16 LYS H . . 4.760 2.805 2.751 2.832 . 0 0 "[ . 1]" 1
252 1 15 GLN QB 1 16 LYS H . . 4.030 3.908 3.898 3.944 . 0 0 "[ . 1]" 1
253 1 16 LYS H 1 16 LYS HB2 . . 3.200 3.111 3.075 3.197 . 0 0 "[ . 1]" 1
254 1 16 LYS H 1 16 LYS HB3 . . 3.080 2.516 2.507 2.530 . 0 0 "[ . 1]" 1
255 1 16 LYS H 1 16 LYS HD3 . . 5.480 5.185 4.944 5.484 0.004 9 0 "[ . 1]" 1
256 1 16 LYS H 1 16 LYS HD2 . . 5.480 5.290 5.185 5.477 . 0 0 "[ . 1]" 1
257 1 16 LYS H 1 16 LYS HG2 . . 4.360 4.336 4.295 4.365 0.005 1 0 "[ . 1]" 1
258 1 16 LYS H 1 16 LYS HG3 . . 4.960 4.625 4.533 4.694 . 0 0 "[ . 1]" 1
259 1 16 LYS H 1 16 LYS QE . . 6.170 6.077 5.947 6.177 0.007 2 0 "[ . 1]" 1
260 1 16 LYS HA 1 16 LYS QD . . 5.140 3.911 3.731 4.059 . 0 0 "[ . 1]" 1
261 1 16 LYS HA 1 17 GLU H . . 2.510 2.251 2.204 2.272 . 0 0 "[ . 1]" 1
262 1 16 LYS HB2 1 17 GLU H . . 3.940 3.932 3.907 3.990 0.050 2 0 "[ . 1]" 1
263 1 16 LYS HB3 1 17 GLU H . . 4.330 3.997 3.936 4.133 . 0 0 "[ . 1]" 1
264 1 16 LYS HD3 1 17 GLU H . . 5.290 4.998 4.811 5.242 . 0 0 "[ . 1]" 1
265 1 16 LYS HD2 1 17 GLU H . . 5.290 4.784 4.667 4.924 . 0 0 "[ . 1]" 1
266 1 16 LYS HG2 1 17 GLU H . . 3.810 2.858 2.492 3.397 . 0 0 "[ . 1]" 1
267 1 16 LYS HG3 1 17 GLU H . . 3.980 2.377 2.230 2.570 . 0 0 "[ . 1]" 1
268 1 16 LYS QE 1 17 GLU H . . 5.280 4.093 3.939 4.261 . 0 0 "[ . 1]" 1
269 1 16 LYS H 1 17 GLU H . . 5.210 4.486 4.436 4.505 . 0 0 "[ . 1]" 1
270 1 16 LYS QD 1 17 GLU H . . 4.530 4.345 4.274 4.513 . 0 0 "[ . 1]" 1
271 1 16 LYS QE 1 18 PHE QD . . 4.730 3.701 2.891 4.526 . 0 0 "[ . 1]" 1
272 1 16 LYS QE 1 18 PHE QE . . 5.260 4.016 3.243 4.871 . 0 0 "[ . 1]" 1
273 1 16 LYS HB3 1 18 PHE QE . . 5.290 4.379 4.171 4.710 . 0 0 "[ . 1]" 1
274 1 16 LYS HA 1 18 PHE H . . 6.080 6.087 6.057 6.151 0.071 2 0 "[ . 1]" 1
275 1 16 LYS QD 1 18 PHE QD . . 4.920 4.280 3.694 4.727 . 0 0 "[ . 1]" 1
276 1 16 LYS QD 1 18 PHE QE . . 4.650 3.425 2.704 4.145 . 0 0 "[ . 1]" 1
277 1 16 LYS QE 1 19 ALA H . . 5.610 5.036 4.591 5.611 0.001 4 0 "[ . 1]" 1
278 1 16 LYS QE 1 30 HIS HE1 . . 4.500 3.716 3.097 4.265 . 0 0 "[ . 1]" 1
279 1 16 LYS HB2 1 30 HIS HE1 . . 4.700 4.716 4.707 4.726 0.026 7 0 "[ . 1]" 1
280 1 16 LYS HB3 1 30 HIS HE1 . . 4.940 4.708 4.479 4.835 . 0 0 "[ . 1]" 1
281 1 16 LYS HD3 1 30 HIS HE1 . . 4.210 2.756 2.398 3.227 . 0 0 "[ . 1]" 1
282 1 16 LYS HD2 1 30 HIS HE1 . . 4.210 3.177 2.723 3.627 . 0 0 "[ . 1]" 1
283 1 16 LYS HG3 1 30 HIS HE1 . . 5.680 5.385 5.206 5.507 . 0 0 "[ . 1]" 1
284 1 16 LYS QD 1 30 HIS HE1 . . 3.550 2.541 2.343 2.671 . 0 0 "[ . 1]" 1
285 1 17 GLU H 1 17 GLU HG3 . . 3.690 3.307 2.954 3.718 0.028 2 0 "[ . 1]" 1
286 1 17 GLU H 1 17 GLU HG2 . . 4.440 3.977 3.537 4.224 . 0 0 "[ . 1]" 1
287 1 17 GLU H 1 17 GLU QB . . 2.770 2.320 2.204 2.417 . 0 0 "[ . 1]" 1
288 1 17 GLU QB 1 18 PHE HB2 . . 6.430 5.132 5.057 5.202 . 0 0 "[ . 1]" 1
289 1 17 GLU QB 1 18 PHE HB3 . . 6.650 5.928 5.857 5.971 . 0 0 "[ . 1]" 1
290 1 17 GLU H 1 18 PHE HA . . 6.130 5.065 5.008 5.201 . 0 0 "[ . 1]" 1
291 1 17 GLU HA 1 18 PHE H . . 2.620 2.159 2.148 2.188 . 0 0 "[ . 1]" 1
292 1 17 GLU HG3 1 18 PHE H . . 5.070 5.000 4.872 5.121 0.051 2 0 "[ . 1]" 1
293 1 17 GLU HG2 1 18 PHE H . . 4.300 3.999 3.811 4.206 . 0 0 "[ . 1]" 1
294 1 17 GLU QB 1 18 PHE H . . 3.370 3.198 3.092 3.276 . 0 0 "[ . 1]" 1
295 1 17 GLU QB 1 19 ALA H . . 5.510 5.209 5.120 5.417 . 0 0 "[ . 1]" 1
296 1 18 PHE HA 1 18 PHE QD . . 2.970 2.058 2.002 2.094 . 0 0 "[ . 1]" 1
297 1 18 PHE H 1 18 PHE HB3 . . 3.770 3.612 3.608 3.615 . 0 0 "[ . 1]" 1
298 1 18 PHE H 1 18 PHE HB2 . . 3.270 2.418 2.388 2.449 . 0 0 "[ . 1]" 1
299 1 18 PHE H 1 18 PHE QD . . 3.340 3.319 3.292 3.343 0.003 2 0 "[ . 1]" 1
300 1 18 PHE H 1 18 PHE QE . . 4.990 4.782 4.704 4.885 . 0 0 "[ . 1]" 1
301 1 18 PHE HA 1 19 ALA H . . 2.750 2.175 2.158 2.220 . 0 0 "[ . 1]" 1
302 1 18 PHE HB3 1 19 ALA H . . 3.710 3.154 2.940 3.245 . 0 0 "[ . 1]" 1
303 1 18 PHE HB2 1 19 ALA H . . 4.200 4.159 4.014 4.206 0.006 7 0 "[ . 1]" 1
304 1 18 PHE QD 1 19 ALA H . . 3.750 3.661 3.550 3.718 . 0 0 "[ . 1]" 1
305 1 18 PHE HA 1 22 LEU MD1 . . 4.660 2.387 2.220 2.559 . 0 0 "[ . 1]" 1
306 1 18 PHE HB2 1 22 LEU HB2 . . 6.240 4.385 4.164 4.572 . 0 0 "[ . 1]" 1
307 1 18 PHE HB2 1 22 LEU HB3 . . 6.870 5.140 4.759 5.301 . 0 0 "[ . 1]" 1
308 1 18 PHE HB2 1 22 LEU MD1 . . 5.280 3.436 3.333 3.536 . 0 0 "[ . 1]" 1
309 1 18 PHE HB2 1 22 LEU MD2 . . 6.230 5.914 5.773 6.047 . 0 0 "[ . 1]" 1
310 1 18 PHE HB3 1 22 LEU HB2 . . 5.690 2.948 2.743 3.108 . 0 0 "[ . 1]" 1
311 1 18 PHE HB3 1 22 LEU MD2 . . 5.970 4.453 4.318 4.582 . 0 0 "[ . 1]" 1
312 1 18 PHE HB3 1 22 LEU MD1 . . 4.870 1.953 1.908 2.005 . 0 0 "[ . 1]" 1
313 1 18 PHE QD 1 22 LEU MD1 . . 3.550 2.423 2.263 2.506 . 0 0 "[ . 1]" 1
314 1 18 PHE QD 1 22 LEU MD2 . . 4.690 4.399 4.269 4.553 . 0 0 "[ . 1]" 1
315 1 18 PHE QE 1 22 LEU MD2 . . 5.420 5.357 5.192 5.425 0.005 10 0 "[ . 1]" 1
316 1 18 PHE HB3 1 22 LEU H . . 5.270 4.983 4.735 5.135 . 0 0 "[ . 1]" 1
317 1 18 PHE HB2 1 22 LEU H . . 6.470 6.248 5.983 6.419 . 0 0 "[ . 1]" 1
318 1 18 PHE H 1 22 LEU MD1 . . 4.840 4.503 4.367 4.646 . 0 0 "[ . 1]" 1
319 1 18 PHE HB3 1 27 VAL MG2 . . 5.150 3.111 2.946 3.479 . 0 0 "[ . 1]" 1
320 1 18 PHE HB2 1 27 VAL MG1 . . 6.610 4.471 4.284 4.816 . 0 0 "[ . 1]" 1
321 1 18 PHE HB2 1 27 VAL MG2 . . 5.340 3.532 3.402 3.645 . 0 0 "[ . 1]" 1
322 1 18 PHE HB3 1 27 VAL HB . . 7.000 6.201 6.024 6.511 . 0 0 "[ . 1]" 1
323 1 18 PHE HB3 1 27 VAL MG1 . . 6.660 4.645 4.369 5.033 . 0 0 "[ . 1]" 1
324 1 18 PHE QD 1 27 VAL HB . . 5.990 5.058 4.945 5.171 . 0 0 "[ . 1]" 1
325 1 18 PHE HZ 1 27 VAL MG1 . . 4.060 3.020 2.887 3.154 . 0 0 "[ . 1]" 1
326 1 18 PHE QE 1 27 VAL MG1 . . 3.890 2.099 1.943 2.202 . 0 0 "[ . 1]" 1
327 1 18 PHE QD 1 27 VAL HA . . 4.810 3.973 3.822 4.106 . 0 0 "[ . 1]" 1
328 1 18 PHE QD 1 27 VAL MG1 . . 4.100 2.701 2.524 2.944 . 0 0 "[ . 1]" 1
329 1 18 PHE QD 1 27 VAL MG2 . . 3.850 2.775 2.410 2.971 . 0 0 "[ . 1]" 1
330 1 18 PHE QE 1 27 VAL HA . . 4.430 3.570 3.454 3.697 . 0 0 "[ . 1]" 1
331 1 18 PHE QE 1 27 VAL MG2 . . 4.390 3.502 3.055 3.679 . 0 0 "[ . 1]" 1
332 1 18 PHE QE 1 27 VAL HB . . 4.950 4.782 4.564 4.905 . 0 0 "[ . 1]" 1
333 1 18 PHE HZ 1 27 VAL HA . . 4.640 3.783 3.604 3.953 . 0 0 "[ . 1]" 1
334 1 18 PHE HZ 1 27 VAL MG2 . . 5.010 4.629 4.450 4.776 . 0 0 "[ . 1]" 1
335 1 18 PHE QE 1 30 HIS HB3 . . 4.080 2.718 2.486 2.891 . 0 0 "[ . 1]" 1
336 1 18 PHE HZ 1 30 HIS HB2 . . 4.790 4.555 4.298 4.781 . 0 0 "[ . 1]" 1
337 1 18 PHE HZ 1 30 HIS HD2 . . 4.720 3.526 3.435 3.659 . 0 0 "[ . 1]" 1
338 1 18 PHE QE 1 30 HIS HD2 . . 5.920 3.932 3.850 4.014 . 0 0 "[ . 1]" 1
339 1 18 PHE QD 1 30 HIS HB3 . . 5.020 4.674 4.533 4.779 . 0 0 "[ . 1]" 1
340 1 18 PHE QD 1 30 HIS HB2 . . 5.630 5.002 4.806 5.220 . 0 0 "[ . 1]" 1
341 1 18 PHE QE 1 30 HIS HB2 . . 4.370 3.390 3.139 3.664 . 0 0 "[ . 1]" 1
342 1 18 PHE HZ 1 30 HIS HB3 . . 4.150 2.979 2.798 3.193 . 0 0 "[ . 1]" 1
343 1 18 PHE QE 1 30 HIS H . . 5.140 4.827 4.632 5.004 . 0 0 "[ . 1]" 1
344 1 18 PHE HZ 1 30 HIS H . . 5.360 5.043 4.900 5.204 . 0 0 "[ . 1]" 1
345 1 18 PHE QE 1 31 LEU HG . . 4.890 3.506 3.251 3.845 . 0 0 "[ . 1]" 1
346 1 18 PHE QD 1 31 LEU MD2 . . 5.390 5.154 5.022 5.381 . 0 0 "[ . 1]" 1
347 1 18 PHE QE 1 31 LEU MD2 . . 4.060 3.224 3.048 3.481 . 0 0 "[ . 1]" 1
348 1 18 PHE QE 1 31 LEU MD1 . . 5.000 3.505 3.135 3.962 . 0 0 "[ . 1]" 1
349 1 18 PHE HZ 1 31 LEU HA . . 5.250 4.292 4.070 4.509 . 0 0 "[ . 1]" 1
350 1 18 PHE HZ 1 31 LEU HG . . 4.340 2.957 2.746 3.339 . 0 0 "[ . 1]" 1
351 1 18 PHE HZ 1 31 LEU MD2 . . 3.710 2.915 2.673 3.075 . 0 0 "[ . 1]" 1
352 1 18 PHE HZ 1 31 LEU MD1 . . 4.520 4.139 3.870 4.445 . 0 0 "[ . 1]" 1
353 1 19 ALA H 1 19 ALA MB . . 2.670 2.062 2.032 2.095 . 0 0 "[ . 1]" 1
354 1 19 ALA HA 1 20 PRO QD . . 3.290 2.150 2.147 2.153 . 0 0 "[ . 1]" 1
355 1 19 ALA HA 1 20 PRO QG . . 5.000 4.067 4.064 4.071 . 0 0 "[ . 1]" 1
356 1 19 ALA MB 1 20 PRO HD2 . . 4.110 2.028 1.960 2.098 . 0 0 "[ . 1]" 1
357 1 19 ALA MB 1 20 PRO HD3 . . 4.110 3.145 3.094 3.173 . 0 0 "[ . 1]" 1
358 1 19 ALA MB 1 20 PRO QG . . 5.630 3.453 3.397 3.509 . 0 0 "[ . 1]" 1
359 1 19 ALA H 1 20 PRO QD . . 4.570 4.344 4.333 4.353 . 0 0 "[ . 1]" 1
360 1 19 ALA MB 1 20 PRO QB . . 5.920 4.418 4.389 4.456 . 0 0 "[ . 1]" 1
361 1 19 ALA MB 1 20 PRO QD . . 3.400 2.004 1.940 2.070 . 0 0 "[ . 1]" 1
362 1 19 ALA MB 1 21 ARG QB . . 6.070 3.560 2.897 3.835 . 0 0 "[ . 1]" 1
363 1 19 ALA HA 1 21 ARG H . . 5.590 4.129 3.974 4.245 . 0 0 "[ . 1]" 1
364 1 19 ALA MB 1 21 ARG H . . 4.050 2.330 2.123 2.501 . 0 0 "[ . 1]" 1
365 1 19 ALA MB 1 21 ARG QG . . 4.480 2.332 1.931 4.345 . 0 0 "[ . 1]" 1
366 1 19 ALA MB 1 22 LEU HG . . 4.570 2.529 2.349 2.738 . 0 0 "[ . 1]" 1
367 1 19 ALA MB 1 22 LEU MD1 . . 4.400 2.789 2.519 3.064 . 0 0 "[ . 1]" 1
368 1 19 ALA MB 1 22 LEU MD2 . . 4.990 3.726 3.630 3.899 . 0 0 "[ . 1]" 1
369 1 19 ALA MB 1 22 LEU HB2 . . 6.040 3.703 3.485 3.879 . 0 0 "[ . 1]" 1
370 1 19 ALA HA 1 22 LEU H . . 5.270 4.720 4.653 4.753 . 0 0 "[ . 1]" 1
371 1 19 ALA MB 1 22 LEU H . . 3.820 2.819 2.563 2.982 . 0 0 "[ . 1]" 1
372 1 19 ALA H 1 22 LEU HB2 . . 4.790 3.695 3.537 3.834 . 0 0 "[ . 1]" 1
373 1 19 ALA H 1 22 LEU HB3 . . 5.120 4.837 4.735 4.933 . 0 0 "[ . 1]" 1
374 1 19 ALA H 1 22 LEU HG . . 4.080 3.183 3.043 3.330 . 0 0 "[ . 1]" 1
375 1 19 ALA H 1 22 LEU MD1 . . 3.280 1.920 1.895 1.949 . 0 0 "[ . 1]" 1
376 1 19 ALA H 1 22 LEU MD2 . . 4.350 4.279 4.182 4.353 0.003 10 0 "[ . 1]" 1
377 1 19 ALA H 1 27 VAL MG2 . . 5.830 5.675 5.464 5.834 0.004 4 0 "[ . 1]" 1
378 1 20 PRO QB 1 21 ARG H . . 3.960 3.343 3.206 3.546 . 0 0 "[ . 1]" 1
379 1 20 PRO QG 1 21 ARG H . . 4.390 2.568 2.354 2.913 . 0 0 "[ . 1]" 1
380 1 20 PRO QD 1 21 ARG H . . 4.320 2.640 2.603 2.742 . 0 0 "[ . 1]" 1
381 1 20 PRO HA 1 22 LEU H . . 4.170 4.063 3.969 4.164 . 0 0 "[ . 1]" 1
382 1 20 PRO QB 1 22 LEU H . . 5.190 4.887 4.758 5.050 . 0 0 "[ . 1]" 1
383 1 20 PRO QD 1 22 LEU H . . 5.060 4.292 4.225 4.432 . 0 0 "[ . 1]" 1
384 1 21 ARG H 1 21 ARG QD . . 5.030 3.774 2.054 4.555 . 0 0 "[ . 1]" 1
385 1 21 ARG H 1 21 ARG QB . . 3.650 2.553 2.209 2.714 . 0 0 "[ . 1]" 1
386 1 21 ARG H 1 21 ARG QG . . 3.800 2.301 1.986 3.889 0.089 9 0 "[ . 1]" 1
387 1 21 ARG QD 1 22 LEU H . . 5.100 4.235 2.765 5.106 0.006 9 0 "[ . 1]" 1
388 1 21 ARG QB 1 22 LEU H . . 3.900 3.452 2.858 3.612 . 0 0 "[ . 1]" 1
389 1 21 ARG QG 1 22 LEU H . . 3.880 2.577 2.149 3.709 . 0 0 "[ . 1]" 1
390 1 21 ARG H 1 22 LEU HG . . 5.520 4.289 4.093 4.367 . 0 0 "[ . 1]" 1
391 1 21 ARG H 1 22 LEU HB2 . . 5.670 4.517 4.390 4.663 . 0 0 "[ . 1]" 1
392 1 21 ARG H 1 22 LEU H . . 5.770 2.441 2.289 2.546 . 0 0 "[ . 1]" 1
393 1 21 ARG QG 1 22 LEU HA . . 5.470 3.645 3.187 5.528 0.058 7 0 "[ . 1]" 1
394 1 21 ARG QG 1 22 LEU MD2 . . 5.610 3.643 3.173 5.448 . 0 0 "[ . 1]" 1
395 1 22 LEU HA 1 22 LEU MD1 . . 4.680 3.849 3.821 3.871 . 0 0 "[ . 1]" 1
396 1 22 LEU HA 1 22 LEU MD2 . . 3.720 1.992 1.952 2.095 . 0 0 "[ . 1]" 1
397 1 22 LEU H 1 22 LEU HB3 . . 3.760 3.561 3.547 3.570 . 0 0 "[ . 1]" 1
398 1 22 LEU H 1 22 LEU HB2 . . 2.990 2.340 2.294 2.366 . 0 0 "[ . 1]" 1
399 1 22 LEU H 1 22 LEU HG . . 3.050 2.522 2.463 2.619 . 0 0 "[ . 1]" 1
400 1 22 LEU H 1 22 LEU MD1 . . 3.800 3.634 3.565 3.722 . 0 0 "[ . 1]" 1
401 1 22 LEU H 1 22 LEU MD2 . . 3.700 3.622 3.563 3.665 . 0 0 "[ . 1]" 1
402 1 22 LEU HA 1 23 THR MG . . 5.350 3.993 3.915 4.096 . 0 0 "[ . 1]" 1
403 1 22 LEU HA 1 23 THR H . . 2.600 2.281 2.231 2.345 . 0 0 "[ . 1]" 1
404 1 22 LEU HB2 1 23 THR H . . 4.180 3.967 3.869 4.107 . 0 0 "[ . 1]" 1
405 1 22 LEU HB3 1 23 THR H . . 3.390 2.742 2.564 2.915 . 0 0 "[ . 1]" 1
406 1 22 LEU HG 1 23 THR H . . 4.830 4.814 4.752 4.834 0.004 9 0 "[ . 1]" 1
407 1 22 LEU MD1 1 23 THR H . . 4.630 4.598 4.369 4.631 0.001 9 0 "[ . 1]" 1
408 1 22 LEU MD2 1 23 THR H . . 3.680 2.888 2.744 3.011 . 0 0 "[ . 1]" 1
409 1 22 LEU H 1 23 THR HA . . 5.730 5.506 5.465 5.568 . 0 0 "[ . 1]" 1
410 1 22 LEU H 1 23 THR MG . . 5.640 5.290 5.069 5.464 . 0 0 "[ . 1]" 1
411 1 22 LEU HA 1 26 ASP HB3 . . 5.420 3.842 3.755 4.006 . 0 0 "[ . 1]" 1
412 1 22 LEU HB3 1 26 ASP HB3 . . 4.810 2.948 2.705 3.307 . 0 0 "[ . 1]" 1
413 1 22 LEU HB2 1 26 ASP HB3 . . 5.740 4.583 4.355 4.899 . 0 0 "[ . 1]" 1
414 1 22 LEU MD1 1 26 ASP HB3 . . 5.080 3.195 3.036 3.428 . 0 0 "[ . 1]" 1
415 1 22 LEU MD1 1 26 ASP HB2 . . 5.260 3.875 3.639 4.106 . 0 0 "[ . 1]" 1
416 1 22 LEU HG 1 26 ASP HB3 . . 5.650 4.535 4.406 4.651 . 0 0 "[ . 1]" 1
417 1 22 LEU MD2 1 26 ASP HB3 . . 4.970 1.980 1.913 2.056 . 0 0 "[ . 1]" 1
418 1 22 LEU HA 1 26 ASP HB2 . . 5.160 3.356 3.232 3.503 . 0 0 "[ . 1]" 1
419 1 22 LEU HB2 1 26 ASP HB2 . . 5.220 4.225 4.003 4.600 . 0 0 "[ . 1]" 1
420 1 22 LEU HB3 1 26 ASP HB2 . . 4.340 2.502 2.272 2.910 . 0 0 "[ . 1]" 1
421 1 22 LEU HG 1 26 ASP HB2 . . 5.370 4.934 4.779 5.127 . 0 0 "[ . 1]" 1
422 1 22 LEU MD2 1 26 ASP HB2 . . 4.930 2.616 2.490 2.716 . 0 0 "[ . 1]" 1
423 1 22 LEU HA 1 26 ASP H . . 5.470 5.225 5.084 5.365 . 0 0 "[ . 1]" 1
424 1 22 LEU MD1 1 26 ASP H . . 6.010 5.760 5.596 5.857 . 0 0 "[ . 1]" 1
425 1 22 LEU MD2 1 26 ASP H . . 4.960 4.516 4.471 4.578 . 0 0 "[ . 1]" 1
426 1 22 LEU H 1 26 ASP HB2 . . 5.890 5.590 5.453 5.763 . 0 0 "[ . 1]" 1
427 1 22 LEU H 1 26 ASP HB3 . . 6.340 5.955 5.804 6.089 . 0 0 "[ . 1]" 1
428 1 22 LEU MD2 1 27 VAL HA . . 5.980 4.804 4.532 4.953 . 0 0 "[ . 1]" 1
429 1 22 LEU MD2 1 27 VAL MG2 . . 4.930 4.300 4.029 4.484 . 0 0 "[ . 1]" 1
430 1 22 LEU HB3 1 27 VAL MG2 . . 4.660 3.175 2.906 3.374 . 0 0 "[ . 1]" 1
431 1 22 LEU HB2 1 27 VAL MG2 . . 4.910 3.849 3.718 4.034 . 0 0 "[ . 1]" 1
432 1 22 LEU MD1 1 27 VAL HA . . 5.860 3.883 3.665 4.054 . 0 0 "[ . 1]" 1
433 1 22 LEU MD1 1 27 VAL MG2 . . 4.800 3.362 3.095 3.644 . 0 0 "[ . 1]" 1
434 1 22 LEU HG 1 27 VAL MG2 . . 5.720 5.428 5.194 5.610 . 0 0 "[ . 1]" 1
435 1 22 LEU HA 1 27 VAL H . . 6.030 5.712 5.514 5.843 . 0 0 "[ . 1]" 1
436 1 22 LEU HB3 1 27 VAL H . . 4.180 3.922 3.757 4.126 . 0 0 "[ . 1]" 1
437 1 22 LEU HB2 1 27 VAL H . . 5.800 5.443 5.268 5.768 . 0 0 "[ . 1]" 1
438 1 22 LEU MD2 1 27 VAL H . . 4.700 4.516 4.304 4.629 . 0 0 "[ . 1]" 1
439 1 22 LEU MD1 1 27 VAL H . . 4.740 4.594 4.367 4.725 . 0 0 "[ . 1]" 1
440 1 22 LEU H 1 27 VAL MG2 . . 5.850 5.723 5.583 5.852 0.002 4 0 "[ . 1]" 1
441 1 22 LEU MD1 1 30 HIS HB3 . . 7.000 5.089 4.946 5.176 . 0 0 "[ . 1]" 1
442 1 22 LEU MD1 1 30 HIS H . . 6.280 5.698 5.599 5.819 . 0 0 "[ . 1]" 1
443 1 22 LEU MD2 1 30 HIS H . . 6.010 5.732 5.598 5.847 . 0 0 "[ . 1]" 1
444 1 23 THR H 1 23 THR MG . . 3.260 3.160 3.056 3.239 . 0 0 "[ . 1]" 1
445 1 23 THR H 1 23 THR HB . . 3.960 3.632 3.586 3.690 . 0 0 "[ . 1]" 1
446 1 23 THR HB 1 24 GLN H . . 4.380 2.157 2.051 2.335 . 0 0 "[ . 1]" 1
447 1 23 THR MG 1 24 GLN H . . 5.330 3.201 3.073 3.343 . 0 0 "[ . 1]" 1
448 1 23 THR HB 1 25 LEU H . . 3.160 2.611 2.519 2.749 . 0 0 "[ . 1]" 1
449 1 23 THR HA 1 25 LEU H . . 4.470 4.389 4.241 4.471 0.001 6 0 "[ . 1]" 1
450 1 23 THR MG 1 25 LEU H . . 4.430 4.239 4.177 4.321 . 0 0 "[ . 1]" 1
451 1 23 THR MG 1 26 ASP HB2 . . 6.270 4.701 4.542 4.814 . 0 0 "[ . 1]" 1
452 1 23 THR HB 1 26 ASP H . . 4.080 3.640 3.474 3.875 . 0 0 "[ . 1]" 1
453 1 23 THR HA 1 26 ASP H . . 4.570 4.503 4.448 4.571 0.001 6 0 "[ . 1]" 1
454 1 23 THR MG 1 26 ASP H . . 4.820 4.600 4.526 4.670 . 0 0 "[ . 1]" 1
455 1 23 THR H 1 26 ASP HB2 . . 3.180 1.962 1.947 2.029 . 0 0 "[ . 1]" 1
456 1 23 THR H 1 26 ASP HB3 . . 3.490 3.370 3.313 3.408 . 0 0 "[ . 1]" 1
457 1 23 THR H 1 26 ASP HA . . 4.930 4.626 4.536 4.759 . 0 0 "[ . 1]" 1
458 1 23 THR HB 1 27 VAL H . . 5.710 5.420 5.307 5.501 . 0 0 "[ . 1]" 1
459 1 23 THR HA 1 27 VAL H . . 5.310 5.161 4.977 5.254 . 0 0 "[ . 1]" 1
460 1 23 THR MG 1 27 VAL H . . 6.270 5.952 5.841 6.030 . 0 0 "[ . 1]" 1
461 1 23 THR H 1 27 VAL MG2 . . 4.730 4.248 3.994 4.438 . 0 0 "[ . 1]" 1
462 1 24 GLN H 1 24 GLN QG . . 4.690 2.658 1.964 4.048 . 0 0 "[ . 1]" 1
463 1 24 GLN H 1 25 LEU QB . . 4.920 4.824 4.761 4.885 . 0 0 "[ . 1]" 1
464 1 24 GLN H 1 25 LEU MD2 . . 6.170 4.638 4.562 4.733 . 0 0 "[ . 1]" 1
465 1 24 GLN QG 1 25 LEU H . . 4.040 2.635 2.038 3.910 . 0 0 "[ . 1]" 1
466 1 24 GLN HB3 1 25 LEU H . . 4.220 3.607 2.686 4.035 . 0 0 "[ . 1]" 1
467 1 24 GLN HB2 1 25 LEU H . . 4.220 3.808 3.651 4.040 . 0 0 "[ . 1]" 1
468 1 24 GLN QB 1 25 LEU H . . 3.670 3.211 2.640 3.484 . 0 0 "[ . 1]" 1
469 1 24 GLN HA 1 26 ASP HA . . 7.000 6.595 6.541 6.624 . 0 0 "[ . 1]" 1
470 1 24 GLN H 1 26 ASP HB2 . . 5.690 5.159 5.064 5.296 . 0 0 "[ . 1]" 1
471 1 24 GLN HA 1 26 ASP H . . 4.440 4.291 4.226 4.325 . 0 0 "[ . 1]" 1
472 1 24 GLN QG 1 26 ASP H . . 5.310 4.619 4.253 5.310 . 2 0 "[ . 1]" 1
473 1 24 GLN HB2 1 26 ASP H . . 6.090 5.642 5.541 5.849 . 0 0 "[ . 1]" 1
474 1 24 GLN HB3 1 26 ASP H . . 6.090 5.577 4.984 5.848 . 0 0 "[ . 1]" 1
475 1 24 GLN HA 1 27 VAL HB . . 3.920 3.156 2.996 3.293 . 0 0 "[ . 1]" 1
476 1 24 GLN HA 1 27 VAL MG1 . . 5.240 4.409 4.277 4.524 . 0 0 "[ . 1]" 1
477 1 24 GLN HA 1 27 VAL MG2 . . 4.560 2.737 2.529 2.959 . 0 0 "[ . 1]" 1
478 1 24 GLN HA 1 27 VAL H . . 3.810 3.578 3.489 3.646 . 0 0 "[ . 1]" 1
479 1 24 GLN QG 1 27 VAL H . . 5.630 5.267 5.041 5.369 . 0 0 "[ . 1]" 1
480 1 24 GLN HB3 1 27 VAL H . . 6.380 5.831 5.643 5.942 . 0 0 "[ . 1]" 1
481 1 24 GLN HB2 1 27 VAL H . . 6.380 5.614 5.384 5.941 . 0 0 "[ . 1]" 1
482 1 24 GLN QB 1 27 VAL H . . 5.580 5.084 4.947 5.250 . 0 0 "[ . 1]" 1
483 1 24 GLN HA 1 28 ASP HA . . 7.000 6.776 6.496 6.999 . 0 0 "[ . 1]" 1
484 1 25 LEU HA 1 25 LEU MD1 . . 4.290 3.572 3.518 3.608 . 0 0 "[ . 1]" 1
485 1 25 LEU H 1 25 LEU QB . . 2.660 2.397 2.341 2.429 . 0 0 "[ . 1]" 1
486 1 25 LEU H 1 25 LEU HG . . 3.430 2.437 2.348 2.564 . 0 0 "[ . 1]" 1
487 1 25 LEU H 1 25 LEU MD2 . . 3.990 3.095 3.049 3.139 . 0 0 "[ . 1]" 1
488 1 25 LEU QB 1 26 ASP H . . 3.500 3.467 3.444 3.498 . 0 0 "[ . 1]" 1
489 1 25 LEU HG 1 26 ASP H . . 4.410 2.047 1.993 2.123 . 0 0 "[ . 1]" 1
490 1 25 LEU H 1 26 ASP HA . . 5.230 5.178 5.135 5.232 0.002 6 0 "[ . 1]" 1
491 1 25 LEU H 1 26 ASP HB2 . . 4.970 4.593 4.498 4.708 . 0 0 "[ . 1]" 1
492 1 25 LEU MD1 1 26 ASP H . . 4.500 2.710 2.598 2.891 . 0 0 "[ . 1]" 1
493 1 25 LEU H 1 26 ASP H . . 4.430 2.552 2.506 2.616 . 0 0 "[ . 1]" 1
494 1 25 LEU HA 1 27 VAL H . . 4.650 4.514 4.433 4.645 . 0 0 "[ . 1]" 1
495 1 25 LEU HG 1 27 VAL H . . 5.610 4.677 4.614 4.746 . 0 0 "[ . 1]" 1
496 1 25 LEU H 1 27 VAL HB . . 5.440 5.402 5.341 5.440 . 0 0 "[ . 1]" 1
497 1 25 LEU H 1 27 VAL MG2 . . 5.290 4.853 4.754 4.894 . 0 0 "[ . 1]" 1
498 1 25 LEU HA 1 28 ASP HB2 . . 4.080 3.111 2.959 3.616 . 0 0 "[ . 1]" 1
499 1 25 LEU HA 1 28 ASP HB3 . . 4.510 4.309 3.630 4.517 0.007 6 0 "[ . 1]" 1
500 1 25 LEU HA 1 28 ASP H . . 4.040 3.731 3.670 3.854 . 0 0 "[ . 1]" 1
501 1 25 LEU MD1 1 28 ASP H . . 5.960 5.348 5.266 5.485 . 0 0 "[ . 1]" 1
502 1 25 LEU H 1 28 ASP HB2 . . 5.720 5.427 5.251 5.686 . 0 0 "[ . 1]" 1
503 1 25 LEU HA 1 29 SER H . . 4.540 4.341 4.189 4.536 . 0 0 "[ . 1]" 1
504 1 25 LEU QB 1 29 SER H . . 5.240 5.077 4.934 5.237 . 0 0 "[ . 1]" 1
505 1 25 LEU HG 1 29 SER H . . 6.310 6.018 5.873 6.213 . 0 0 "[ . 1]" 1
506 1 25 LEU MD1 1 29 SER H . . 4.850 4.517 4.391 4.683 . 0 0 "[ . 1]" 1
507 1 26 ASP H 1 26 ASP HB2 . . 3.120 2.322 2.227 2.429 . 0 0 "[ . 1]" 1
508 1 26 ASP H 1 26 ASP HB3 . . 3.590 3.560 3.521 3.591 0.001 2 0 "[ . 1]" 1
509 1 26 ASP HB3 1 27 VAL MG2 . . 5.810 4.109 3.895 4.251 . 0 0 "[ . 1]" 1
510 1 26 ASP HB2 1 27 VAL MG2 . . 5.420 3.475 3.290 3.632 . 0 0 "[ . 1]" 1
511 1 26 ASP HB2 1 27 VAL H . . 3.420 2.630 2.513 2.746 . 0 0 "[ . 1]" 1
512 1 26 ASP HB3 1 27 VAL H . . 3.680 3.418 3.300 3.512 . 0 0 "[ . 1]" 1
513 1 26 ASP H 1 27 VAL HA . . 5.470 5.250 5.192 5.295 . 0 0 "[ . 1]" 1
514 1 26 ASP H 1 27 VAL HB . . 4.890 4.842 4.771 4.887 . 0 0 "[ . 1]" 1
515 1 26 ASP H 1 27 VAL MG1 . . 5.930 5.878 5.822 5.917 . 0 0 "[ . 1]" 1
516 1 26 ASP H 1 27 VAL MG2 . . 4.210 4.054 3.948 4.127 . 0 0 "[ . 1]" 1
517 1 26 ASP H 1 27 VAL H . . 4.350 2.647 2.580 2.703 . 0 0 "[ . 1]" 1
518 1 26 ASP HB2 1 28 ASP H . . 6.180 5.268 5.066 5.401 . 0 0 "[ . 1]" 1
519 1 26 ASP HB3 1 28 ASP H . . 5.760 5.671 5.574 5.760 . 0 0 "[ . 1]" 1
520 1 26 ASP HA 1 29 SER QB . . 4.150 2.495 2.430 2.569 . 0 0 "[ . 1]" 1
521 1 26 ASP HA 1 29 SER HB3 . . 4.870 3.206 3.086 3.354 . 0 0 "[ . 1]" 1
522 1 26 ASP HA 1 29 SER H . . 3.880 3.449 3.377 3.485 . 0 0 "[ . 1]" 1
523 1 26 ASP HB3 1 29 SER H . . 5.360 5.209 5.140 5.267 . 0 0 "[ . 1]" 1
524 1 26 ASP HB2 1 29 SER H . . 5.840 5.498 5.413 5.577 . 0 0 "[ . 1]" 1
525 1 26 ASP H 1 29 SER QB . . 4.950 4.619 4.486 4.765 . 0 0 "[ . 1]" 1
526 1 26 ASP HB3 1 30 HIS H . . 5.230 5.160 5.055 5.234 0.004 5 0 "[ . 1]" 1
527 1 26 ASP HB2 1 30 HIS H . . 6.340 6.165 6.027 6.277 . 0 0 "[ . 1]" 1
528 1 26 ASP HA 1 30 HIS H . . 4.850 4.446 4.301 4.591 . 0 0 "[ . 1]" 1
529 1 27 VAL HA 1 27 VAL MG2 . . 3.730 2.313 2.272 2.433 . 0 0 "[ . 1]" 1
530 1 27 VAL H 1 27 VAL HB . . 2.900 2.571 2.557 2.580 . 0 0 "[ . 1]" 1
531 1 27 VAL H 1 27 VAL MG1 . . 3.830 3.764 3.763 3.765 . 0 0 "[ . 1]" 1
532 1 27 VAL H 1 27 VAL MG2 . . 2.890 2.142 1.948 2.239 . 0 0 "[ . 1]" 1
533 1 27 VAL MG1 1 28 ASP HA . . 4.990 3.512 3.461 3.586 . 0 0 "[ . 1]" 1
534 1 27 VAL HB 1 28 ASP H . . 3.130 2.377 2.322 2.523 . 0 0 "[ . 1]" 1
535 1 27 VAL MG1 1 28 ASP H . . 3.710 3.305 3.236 3.445 . 0 0 "[ . 1]" 1
536 1 27 VAL MG2 1 28 ASP H . . 3.890 3.746 3.714 3.785 . 0 0 "[ . 1]" 1
537 1 27 VAL H 1 28 ASP HB2 . . 5.080 4.730 4.661 4.877 . 0 0 "[ . 1]" 1
538 1 27 VAL H 1 28 ASP HB3 . . 6.190 6.034 5.517 6.186 . 0 0 "[ . 1]" 1
539 1 27 VAL H 1 28 ASP H . . 4.560 2.854 2.804 2.887 . 0 0 "[ . 1]" 1
540 1 27 VAL HB 1 29 SER H . . 5.050 4.770 4.716 4.875 . 0 0 "[ . 1]" 1
541 1 27 VAL MG1 1 29 SER H . . 4.920 4.838 4.770 4.890 . 0 0 "[ . 1]" 1
542 1 27 VAL MG2 1 29 SER H . . 5.480 5.227 5.179 5.259 . 0 0 "[ . 1]" 1
543 1 27 VAL HA 1 29 SER H . . 4.600 4.281 4.198 4.341 . 0 0 "[ . 1]" 1
544 1 27 VAL H 1 29 SER QB . . 5.310 4.682 4.612 4.777 . 0 0 "[ . 1]" 1
545 1 27 VAL HA 1 30 HIS HB2 . . 5.170 4.543 4.306 4.688 . 0 0 "[ . 1]" 1
546 1 27 VAL MG1 1 30 HIS HB2 . . 6.940 5.526 5.247 5.679 . 0 0 "[ . 1]" 1
547 1 27 VAL HA 1 30 HIS HB3 . . 4.600 3.609 3.500 3.702 . 0 0 "[ . 1]" 1
548 1 27 VAL MG1 1 30 HIS HB3 . . 6.210 4.208 3.959 4.351 . 0 0 "[ . 1]" 1
549 1 27 VAL MG2 1 30 HIS HB3 . . 6.300 5.289 5.157 5.391 . 0 0 "[ . 1]" 1
550 1 27 VAL HA 1 30 HIS H . . 3.950 3.771 3.654 3.825 . 0 0 "[ . 1]" 1
551 1 27 VAL MG1 1 30 HIS H . . 4.760 4.724 4.587 4.764 0.004 8 0 "[ . 1]" 1
552 1 27 VAL MG2 1 30 HIS H . . 5.610 5.472 5.389 5.520 . 0 0 "[ . 1]" 1
553 1 27 VAL HB 1 30 HIS H . . 6.080 5.820 5.736 5.885 . 0 0 "[ . 1]" 1
554 1 27 VAL H 1 30 HIS HB3 . . 6.270 6.003 5.839 6.074 . 0 0 "[ . 1]" 1
555 1 27 VAL H 1 30 HIS HB2 . . 6.780 6.493 6.396 6.571 . 0 0 "[ . 1]" 1
556 1 27 VAL MG1 1 31 LEU HG . . 4.590 2.435 2.313 2.573 . 0 0 "[ . 1]" 1
557 1 27 VAL MG1 1 31 LEU MD2 . . 4.920 3.255 3.076 3.354 . 0 0 "[ . 1]" 1
558 1 27 VAL MG1 1 31 LEU MD1 . . 3.910 2.031 1.853 2.300 . 0 0 "[ . 1]" 1
559 1 27 VAL HA 1 31 LEU MD1 . . 6.570 4.352 4.065 4.669 . 0 0 "[ . 1]" 1
560 1 27 VAL MG1 1 31 LEU HB2 . . 6.230 3.997 3.817 4.191 . 0 0 "[ . 1]" 1
561 1 27 VAL HA 1 31 LEU H . . 4.540 4.287 4.151 4.338 . 0 0 "[ . 1]" 1
562 1 27 VAL MG1 1 31 LEU H . . 4.000 3.964 3.888 4.003 0.003 4 0 "[ . 1]" 1
563 1 27 VAL MG2 1 31 LEU H . . 5.850 5.803 5.704 5.851 0.001 8 0 "[ . 1]" 1
564 1 27 VAL H 1 31 LEU HG . . 6.960 6.170 6.083 6.296 . 0 0 "[ . 1]" 1
565 1 27 VAL MG1 1 32 ALA H . . 6.240 6.058 5.951 6.118 . 0 0 "[ . 1]" 1
566 1 28 ASP H 1 28 ASP HB2 . . 3.200 2.163 2.144 2.171 . 0 0 "[ . 1]" 1
567 1 28 ASP H 1 28 ASP HB3 . . 3.480 3.381 2.981 3.484 0.004 5 0 "[ . 1]" 1
568 1 28 ASP HB2 1 29 SER H . . 3.580 3.115 2.981 3.584 0.004 7 0 "[ . 1]" 1
569 1 28 ASP HB3 1 29 SER H . . 3.620 3.277 2.794 3.415 . 0 0 "[ . 1]" 1
570 1 28 ASP H 1 29 SER HB3 . . 5.600 5.355 5.306 5.426 . 0 0 "[ . 1]" 1
571 1 28 ASP H 1 29 SER HA . . 5.330 5.250 5.210 5.307 . 0 0 "[ . 1]" 1
572 1 28 ASP H 1 29 SER H . . 4.440 2.668 2.619 2.732 . 0 0 "[ . 1]" 1
573 1 28 ASP HB2 1 30 HIS H . . 6.200 5.638 5.533 5.938 . 0 0 "[ . 1]" 1
574 1 28 ASP HB3 1 30 HIS H . . 5.760 5.551 5.337 5.636 . 0 0 "[ . 1]" 1
575 1 28 ASP HA 1 30 HIS H . . 5.230 4.554 4.496 4.598 . 0 0 "[ . 1]" 1
576 1 28 ASP HA 1 31 LEU HB2 . . 4.300 2.111 1.997 2.282 . 0 0 "[ . 1]" 1
577 1 28 ASP HA 1 31 LEU HB3 . . 4.870 3.640 3.508 3.814 . 0 0 "[ . 1]" 1
578 1 28 ASP HA 1 31 LEU HG . . 5.380 3.370 3.057 3.580 . 0 0 "[ . 1]" 1
579 1 28 ASP HA 1 31 LEU MD1 . . 4.230 2.231 1.994 2.463 . 0 0 "[ . 1]" 1
580 1 28 ASP HA 1 31 LEU H . . 3.700 3.318 3.271 3.373 . 0 0 "[ . 1]" 1
581 1 28 ASP HB3 1 31 LEU H . . 5.550 5.250 5.184 5.363 . 0 0 "[ . 1]" 1
582 1 28 ASP H 1 31 LEU HB2 . . 5.400 4.660 4.530 4.858 . 0 0 "[ . 1]" 1
583 1 28 ASP H 1 31 LEU MD1 . . 4.920 3.823 3.591 3.945 . 0 0 "[ . 1]" 1
584 1 28 ASP HB2 1 31 LEU H . . 5.970 5.608 5.557 5.661 . 0 0 "[ . 1]" 1
585 1 28 ASP HA 1 32 ALA H . . 4.440 4.286 4.126 4.441 0.001 6 0 "[ . 1]" 1
586 1 28 ASP HB3 1 32 ALA H . . 5.740 5.232 5.019 5.537 . 0 0 "[ . 1]" 1
587 1 28 ASP HB2 1 32 ALA H . . 6.430 6.286 6.117 6.432 0.002 10 0 "[ . 1]" 1
588 1 29 SER H 1 29 SER HB3 . . 3.130 2.940 2.927 2.951 . 0 0 "[ . 1]" 1
589 1 29 SER H 1 29 SER HB2 . . 3.060 2.199 2.193 2.205 . 0 0 "[ . 1]" 1
590 1 29 SER HB3 1 30 HIS H . . 3.340 2.374 2.356 2.408 . 0 0 "[ . 1]" 1
591 1 29 SER HB2 1 30 HIS H . . 3.460 3.451 3.444 3.460 . 0 0 "[ . 1]" 1
592 1 29 SER H 1 30 HIS HB3 . . 5.080 5.066 5.032 5.094 0.014 1 0 "[ . 1]" 1
593 1 29 SER H 1 30 HIS HB2 . . 5.550 5.358 5.286 5.402 . 0 0 "[ . 1]" 1
594 1 29 SER H 1 30 HIS HA . . 5.490 5.423 5.402 5.433 . 0 0 "[ . 1]" 1
595 1 29 SER H 1 30 HIS H . . 4.370 2.859 2.830 2.875 . 0 0 "[ . 1]" 1
596 1 29 SER QB 1 31 LEU H . . 4.770 4.470 4.430 4.516 . 0 0 "[ . 1]" 1
597 1 29 SER HA 1 31 LEU H . . 4.750 4.515 4.461 4.593 . 0 0 "[ . 1]" 1
598 1 29 SER H 1 31 LEU HB2 . . 5.760 4.726 4.651 4.837 . 0 0 "[ . 1]" 1
599 1 29 SER H 1 31 LEU HG . . 5.710 5.430 5.173 5.544 . 0 0 "[ . 1]" 1
600 1 29 SER H 1 31 LEU MD1 . . 5.530 5.066 4.905 5.179 . 0 0 "[ . 1]" 1
601 1 29 SER HA 1 32 ALA MB . . 4.150 3.232 3.059 3.396 . 0 0 "[ . 1]" 1
602 1 29 SER HB3 1 32 ALA MB . . 6.160 5.352 5.240 5.508 . 0 0 "[ . 1]" 1
603 1 29 SER HA 1 32 ALA H . . 4.030 3.836 3.768 3.909 . 0 0 "[ . 1]" 1
604 1 29 SER HB3 1 32 ALA H . . 5.730 5.388 5.331 5.452 . 0 0 "[ . 1]" 1
605 1 29 SER H 1 32 ALA MB . . 5.200 4.964 4.863 5.043 . 0 0 "[ . 1]" 1
606 1 29 SER HB3 1 33 GLN H . . 6.060 5.851 5.738 5.898 . 0 0 "[ . 1]" 1
607 1 30 HIS HA 1 30 HIS HE1 . . 5.590 5.340 5.318 5.354 . 0 0 "[ . 1]" 1
608 1 30 HIS H 1 30 HIS HB3 . . 3.180 2.499 2.467 2.536 . 0 0 "[ . 1]" 1
609 1 30 HIS H 1 30 HIS HB2 . . 3.150 2.589 2.543 2.622 . 0 0 "[ . 1]" 1
610 1 30 HIS H 1 30 HIS HD2 . . 5.200 4.983 4.948 5.025 . 0 0 "[ . 1]" 1
611 1 30 HIS HB3 1 31 LEU HA . . 6.770 4.246 4.212 4.272 . 0 0 "[ . 1]" 1
612 1 30 HIS HB3 1 31 LEU MD2 . . 6.470 4.359 3.985 4.539 . 0 0 "[ . 1]" 1
613 1 30 HIS HB3 1 31 LEU MD1 . . 7.000 5.135 4.989 5.238 . 0 0 "[ . 1]" 1
614 1 30 HIS HD2 1 31 LEU HA . . 3.730 2.972 2.849 3.045 . 0 0 "[ . 1]" 1
615 1 30 HIS HD2 1 31 LEU HG . . 4.860 4.384 4.083 4.549 . 0 0 "[ . 1]" 1
616 1 30 HIS HD2 1 31 LEU MD2 . . 3.810 3.465 3.171 3.625 . 0 0 "[ . 1]" 1
617 1 30 HIS HD2 1 31 LEU MD1 . . 5.720 5.593 5.404 5.686 . 0 0 "[ . 1]" 1
618 1 30 HIS HB3 1 31 LEU H . . 3.230 2.726 2.668 2.782 . 0 0 "[ . 1]" 1
619 1 30 HIS HB2 1 31 LEU H . . 3.990 3.952 3.920 3.988 . 0 0 "[ . 1]" 1
620 1 30 HIS H 1 31 LEU HA . . 5.470 5.158 5.109 5.195 . 0 0 "[ . 1]" 1
621 1 30 HIS H 1 31 LEU HB2 . . 4.760 4.554 4.449 4.663 . 0 0 "[ . 1]" 1
622 1 30 HIS H 1 31 LEU HB3 . . 6.340 6.037 5.958 6.103 . 0 0 "[ . 1]" 1
623 1 30 HIS H 1 31 LEU HG . . 4.690 4.563 4.428 4.625 . 0 0 "[ . 1]" 1
624 1 30 HIS H 1 31 LEU MD2 . . 5.830 5.507 5.249 5.614 . 0 0 "[ . 1]" 1
625 1 30 HIS H 1 31 LEU MD1 . . 6.570 5.275 5.120 5.363 . 0 0 "[ . 1]" 1
626 1 30 HIS H 1 31 LEU H . . 4.200 2.545 2.486 2.589 . 0 0 "[ . 1]" 1
627 1 30 HIS HB2 1 32 ALA H . . 5.660 5.527 5.477 5.565 . 0 0 "[ . 1]" 1
628 1 30 HIS HB3 1 32 ALA H . . 5.050 4.887 4.829 4.928 . 0 0 "[ . 1]" 1
629 1 30 HIS H 1 32 ALA MB . . 5.180 4.935 4.789 5.017 . 0 0 "[ . 1]" 1
630 1 30 HIS HA 1 32 ALA H . . 4.690 3.805 3.752 3.844 . 0 0 "[ . 1]" 1
631 1 30 HIS HA 1 33 GLN QB . . 4.410 2.789 2.605 2.885 . 0 0 "[ . 1]" 1
632 1 30 HIS HA 1 33 GLN QG . . 5.740 3.463 3.181 3.796 . 0 0 "[ . 1]" 1
633 1 30 HIS HA 1 33 GLN H . . 3.960 3.208 3.127 3.252 . 0 0 "[ . 1]" 1
634 1 30 HIS H 1 33 GLN QB . . 5.810 5.351 5.177 5.451 . 0 0 "[ . 1]" 1
635 1 30 HIS HB3 1 33 GLN H . . 5.650 5.554 5.458 5.617 . 0 0 "[ . 1]" 1
636 1 30 HIS HB2 1 33 GLN H . . 5.890 5.589 5.505 5.647 . 0 0 "[ . 1]" 1
637 1 30 HIS HE1 1 34 CYS HB2 . . 5.100 4.989 4.907 5.091 . 0 0 "[ . 1]" 1
638 1 30 HIS HD2 1 34 CYS HB3 . . 4.870 3.394 3.279 3.520 . 0 0 "[ . 1]" 1
639 1 30 HIS HD2 1 34 CYS HB2 . . 4.270 2.084 2.033 2.194 . 0 0 "[ . 1]" 1
640 1 30 HIS HE1 1 34 CYS HA . . 6.180 5.811 5.655 6.093 . 0 0 "[ . 1]" 1
641 1 30 HIS HA 1 34 CYS H . . 4.590 3.892 3.847 3.930 . 0 0 "[ . 1]" 1
642 1 31 LEU HA 1 31 LEU MD2 . . 3.840 2.014 1.950 2.135 . 0 0 "[ . 1]" 1
643 1 31 LEU H 1 31 LEU HB2 . . 3.060 2.327 2.277 2.405 . 0 0 "[ . 1]" 1
644 1 31 LEU H 1 31 LEU HB3 . . 3.660 3.556 3.541 3.574 . 0 0 "[ . 1]" 1
645 1 31 LEU H 1 31 LEU HG . . 2.940 2.549 2.403 2.655 . 0 0 "[ . 1]" 1
646 1 31 LEU H 1 31 LEU MD2 . . 3.670 3.579 3.304 3.671 0.001 7 0 "[ . 1]" 1
647 1 31 LEU H 1 31 LEU MD1 . . 3.850 3.673 3.538 3.757 . 0 0 "[ . 1]" 1
648 1 31 LEU HB2 1 32 ALA HA . . 6.360 4.596 4.500 4.663 . 0 0 "[ . 1]" 1
649 1 31 LEU HB2 1 32 ALA H . . 3.370 3.030 2.971 3.072 . 0 0 "[ . 1]" 1
650 1 31 LEU HB3 1 32 ALA H . . 3.910 3.776 3.694 3.851 . 0 0 "[ . 1]" 1
651 1 31 LEU MD2 1 32 ALA H . . 4.990 4.747 4.680 4.828 . 0 0 "[ . 1]" 1
652 1 31 LEU MD1 1 32 ALA H . . 4.990 4.865 4.798 4.922 . 0 0 "[ . 1]" 1
653 1 31 LEU HG 1 32 ALA H . . 4.880 4.710 4.618 4.769 . 0 0 "[ . 1]" 1
654 1 31 LEU H 1 32 ALA MB . . 4.620 4.315 4.237 4.369 . 0 0 "[ . 1]" 1
655 1 31 LEU H 1 32 ALA HA . . 5.420 5.265 5.233 5.294 . 0 0 "[ . 1]" 1
656 1 31 LEU H 1 32 ALA H . . 4.340 2.659 2.626 2.691 . 0 0 "[ . 1]" 1
657 1 31 LEU HB2 1 33 GLN H . . 5.400 5.367 5.270 5.416 0.016 9 0 "[ . 1]" 1
658 1 31 LEU HB3 1 33 GLN H . . 6.470 5.813 5.673 5.911 . 0 0 "[ . 1]" 1
659 1 31 LEU HA 1 33 GLN H . . 5.070 4.646 4.539 4.779 . 0 0 "[ . 1]" 1
660 1 31 LEU H 1 33 GLN QB . . 6.030 5.415 5.260 5.503 . 0 0 "[ . 1]" 1
661 1 31 LEU HA 1 34 CYS HB2 . . 4.520 3.180 3.101 3.323 . 0 0 "[ . 1]" 1
662 1 31 LEU MD2 1 34 CYS HB2 . . 5.950 4.117 3.952 4.249 . 0 0 "[ . 1]" 1
663 1 31 LEU HA 1 34 CYS HB3 . . 4.560 3.105 3.004 3.290 . 0 0 "[ . 1]" 1
664 1 31 LEU MD2 1 34 CYS HB3 . . 5.690 3.802 3.683 3.920 . 0 0 "[ . 1]" 1
665 1 31 LEU H 1 34 CYS HB3 . . 5.990 5.540 5.449 5.711 . 0 0 "[ . 1]" 1
666 1 31 LEU H 1 34 CYS HB2 . . 5.200 4.873 4.832 4.913 . 0 0 "[ . 1]" 1
667 1 31 LEU HA 1 34 CYS H . . 3.740 3.570 3.543 3.648 . 0 0 "[ . 1]" 1
668 1 31 LEU MD2 1 34 CYS H . . 5.370 5.000 4.914 5.096 . 0 0 "[ . 1]" 1
669 1 31 LEU HA 1 35 LEU H . . 4.180 3.991 3.913 4.183 0.003 5 0 "[ . 1]" 1
670 1 31 LEU MD2 1 35 LEU H . . 5.160 4.942 4.742 5.152 . 0 0 "[ . 1]" 1
671 1 31 LEU H 1 35 LEU QD . . 5.770 5.583 5.353 5.703 . 0 0 "[ . 1]" 1
672 1 31 LEU HA 1 36 ALA H . . 6.840 6.364 6.158 6.725 . 0 0 "[ . 1]" 1
673 1 32 ALA H 1 32 ALA MB . . 2.660 2.209 2.084 2.280 . 0 0 "[ . 1]" 1
674 1 32 ALA MB 1 33 GLN QB . . 5.930 4.193 4.104 4.279 . 0 0 "[ . 1]" 1
675 1 32 ALA MB 1 33 GLN H . . 3.290 2.528 2.421 2.648 . 0 0 "[ . 1]" 1
676 1 32 ALA H 1 33 GLN HA . . 5.140 5.104 5.059 5.145 0.005 5 0 "[ . 1]" 1
677 1 32 ALA H 1 33 GLN QB . . 4.550 4.441 4.342 4.493 . 0 0 "[ . 1]" 1
678 1 32 ALA H 1 33 GLN H . . 4.280 2.451 2.390 2.504 . 0 0 "[ . 1]" 1
679 1 32 ALA H 1 33 GLN QG . . 4.730 4.265 4.017 4.494 . 0 0 "[ . 1]" 1
680 1 32 ALA MB 1 33 GLN QG . . 5.920 3.122 3.026 3.275 . 0 0 "[ . 1]" 1
681 1 32 ALA H 1 34 CYS HB2 . . 5.220 5.038 4.985 5.104 . 0 0 "[ . 1]" 1
682 1 32 ALA H 1 34 CYS HB3 . . 5.610 5.394 5.302 5.518 . 0 0 "[ . 1]" 1
683 1 32 ALA HA 1 34 CYS H . . 4.720 4.289 4.239 4.329 . 0 0 "[ . 1]" 1
684 1 32 ALA MB 1 34 CYS H . . 5.060 4.385 4.338 4.436 . 0 0 "[ . 1]" 1
685 1 32 ALA HA 1 35 LEU QB . . 4.570 3.441 2.671 3.998 . 0 0 "[ . 1]" 1
686 1 32 ALA HA 1 35 LEU H . . 3.860 3.721 3.513 3.859 . 0 0 "[ . 1]" 1
687 1 32 ALA H 1 35 LEU HG . . 5.520 5.371 5.282 5.526 0.006 5 0 "[ . 1]" 1
688 1 32 ALA H 1 35 LEU QD . . 5.000 4.264 4.111 4.703 . 0 0 "[ . 1]" 1
689 1 32 ALA HA 1 35 LEU QD . . 5.080 2.208 1.898 2.986 . 0 0 "[ . 1]" 1
690 1 32 ALA HA 1 36 ALA H . . 5.000 4.259 4.101 4.590 . 0 0 "[ . 1]" 1
691 1 33 GLN H 1 33 GLN QB . . 2.820 2.383 2.284 2.456 . 0 0 "[ . 1]" 1
692 1 33 GLN H 1 33 GLN HG3 . . 3.920 2.689 2.248 3.467 . 0 0 "[ . 1]" 1
693 1 33 GLN H 1 33 GLN HG2 . . 3.920 3.140 2.352 3.488 . 0 0 "[ . 1]" 1
694 1 33 GLN H 1 33 GLN QG . . 3.380 2.426 2.212 2.657 . 0 0 "[ . 1]" 1
695 1 33 GLN H 1 34 CYS HB3 . . 5.450 5.212 5.129 5.308 . 0 0 "[ . 1]" 1
696 1 33 GLN H 1 34 CYS HB2 . . 4.680 4.538 4.476 4.611 . 0 0 "[ . 1]" 1
697 1 33 GLN H 1 34 CYS HA . . 5.270 5.092 5.061 5.150 . 0 0 "[ . 1]" 1
698 1 33 GLN HG2 1 34 CYS H . . 5.090 4.932 4.490 5.077 . 0 0 "[ . 1]" 1
699 1 33 GLN HG3 1 34 CYS H . . 5.090 4.657 4.412 5.065 . 0 0 "[ . 1]" 1
700 1 33 GLN QB 1 34 CYS H . . 3.190 2.880 2.841 2.896 . 0 0 "[ . 1]" 1
701 1 33 GLN H 1 34 CYS H . . 4.030 2.551 2.516 2.611 . 0 0 "[ . 1]" 1
702 1 33 GLN QG 1 34 CYS H . . 4.470 4.235 4.154 4.353 . 0 0 "[ . 1]" 1
703 1 33 GLN QG 1 35 LEU H . . 7.000 5.827 5.592 6.021 . 0 0 "[ . 1]" 1
704 1 33 GLN QB 1 35 LEU H . . 5.460 4.894 4.611 5.035 . 0 0 "[ . 1]" 1
705 1 33 GLN H 1 35 LEU QB . . 6.840 5.412 4.763 5.851 . 0 0 "[ . 1]" 1
706 1 33 GLN QB 1 36 ALA MB . . 6.200 3.893 3.626 4.293 . 0 0 "[ . 1]" 1
707 1 33 GLN QG 1 36 ALA MB . . 6.690 3.965 3.582 4.369 . 0 0 "[ . 1]" 1
708 1 33 GLN HA 1 36 ALA HA . . 6.410 5.106 4.800 5.576 . 0 0 "[ . 1]" 1
709 1 33 GLN HA 1 36 ALA MB . . 4.030 2.305 1.960 2.817 . 0 0 "[ . 1]" 1
710 1 33 GLN HA 1 36 ALA H . . 3.680 3.304 3.168 3.457 . 0 0 "[ . 1]" 1
711 1 33 GLN QB 1 36 ALA H . . 5.180 4.742 4.597 4.941 . 0 0 "[ . 1]" 1
712 1 33 GLN QG 1 36 ALA H . . 5.400 5.298 5.146 5.402 0.002 5 0 "[ . 1]" 1
713 1 34 CYS H 1 34 CYS HB3 . . 3.220 2.824 2.782 2.869 . 0 0 "[ . 1]" 1
714 1 34 CYS H 1 34 CYS HB2 . . 2.880 2.241 2.216 2.260 . 0 0 "[ . 1]" 1
715 1 34 CYS HB3 1 35 LEU H . . 3.410 2.542 2.343 2.925 . 0 0 "[ . 1]" 1
716 1 34 CYS HB2 1 35 LEU H . . 3.700 3.514 3.397 3.649 . 0 0 "[ . 1]" 1
717 1 34 CYS H 1 35 LEU QB . . 4.780 4.447 4.193 4.627 . 0 0 "[ . 1]" 1
718 1 34 CYS H 1 35 LEU HG . . 5.450 4.676 4.577 4.841 . 0 0 "[ . 1]" 1
719 1 34 CYS H 1 35 LEU QD . . 5.290 4.637 4.488 4.903 . 0 0 "[ . 1]" 1
720 1 34 CYS HA 1 36 ALA H . . 4.500 4.288 4.121 4.467 . 0 0 "[ . 1]" 1
721 1 34 CYS HB3 1 36 ALA H . . 5.270 4.866 4.652 5.243 . 0 0 "[ . 1]" 1
722 1 34 CYS HB2 1 36 ALA H . . 5.810 5.454 5.260 5.809 . 0 0 "[ . 1]" 1
723 1 34 CYS H 1 36 ALA MB . . 5.450 4.558 4.342 4.945 . 0 0 "[ . 1]" 1
724 1 34 CYS HA 1 37 GLU H . . 4.020 3.617 3.455 3.805 . 0 0 "[ . 1]" 1
725 1 34 CYS HB3 1 37 GLU H . . 5.800 5.488 5.407 5.619 . 0 0 "[ . 1]" 1
726 1 34 CYS HB2 1 37 GLU H . . 5.950 5.845 5.717 5.973 0.023 5 0 "[ . 1]" 1
727 1 34 CYS HA 1 37 GLU QB . . 4.790 3.336 2.487 4.340 . 0 0 "[ . 1]" 1
728 1 35 LEU H 1 35 LEU QB . . 2.700 2.230 2.180 2.281 . 0 0 "[ . 1]" 1
729 1 35 LEU H 1 35 LEU HG . . 3.300 2.805 2.745 2.901 . 0 0 "[ . 1]" 1
730 1 35 LEU H 1 35 LEU MD1 . . 4.380 3.891 3.529 4.114 . 0 0 "[ . 1]" 1
731 1 35 LEU H 1 35 LEU MD2 . . 4.380 3.482 3.204 3.968 . 0 0 "[ . 1]" 1
732 1 35 LEU H 1 35 LEU QD . . 3.840 3.192 3.093 3.370 . 0 0 "[ . 1]" 1
733 1 35 LEU HA 1 35 LEU QD . . 3.880 2.808 1.989 3.300 . 0 0 "[ . 1]" 1
734 1 35 LEU QB 1 36 ALA HA . . 5.690 4.312 3.790 4.640 . 0 0 "[ . 1]" 1
735 1 35 LEU HA 1 36 ALA HA . . 7.000 4.780 4.739 4.810 . 0 0 "[ . 1]" 1
736 1 35 LEU QB 1 36 ALA MB . . 7.000 4.341 3.753 4.712 . 0 0 "[ . 1]" 1
737 1 35 LEU QB 1 36 ALA H . . 3.700 3.172 2.552 3.526 . 0 0 "[ . 1]" 1
738 1 35 LEU HG 1 36 ALA H . . 4.730 3.240 2.244 4.742 0.012 6 0 "[ . 1]" 1
739 1 35 LEU MD1 1 36 ALA H . . 5.260 3.746 3.198 4.679 . 0 0 "[ . 1]" 1
740 1 35 LEU MD2 1 36 ALA H . . 5.260 4.189 3.852 4.861 . 0 0 "[ . 1]" 1
741 1 35 LEU H 1 36 ALA HA . . 5.470 5.208 5.085 5.360 . 0 0 "[ . 1]" 1
742 1 35 LEU H 1 36 ALA MB . . 4.320 4.248 4.162 4.320 0.000 2 0 "[ . 1]" 1
743 1 35 LEU H 1 36 ALA H . . 4.500 2.603 2.465 2.774 . 0 0 "[ . 1]" 1
744 1 35 LEU QD 1 36 ALA H . . 4.440 3.481 3.051 4.244 . 0 0 "[ . 1]" 1
745 1 35 LEU QB 1 37 GLU H . . 5.360 4.918 4.612 5.102 . 0 0 "[ . 1]" 1
746 1 35 LEU MD1 1 37 GLU H . . 7.000 5.465 4.735 6.532 . 0 0 "[ . 1]" 1
747 1 35 LEU MD2 1 37 GLU H . . 7.000 5.873 5.768 5.926 . 0 0 "[ . 1]" 1
748 1 35 LEU QD 1 37 GLU H . . 5.880 4.925 4.550 5.467 . 0 0 "[ . 1]" 1
749 1 35 LEU HA 1 38 SER QB . . 5.160 3.527 2.212 5.163 0.003 10 0 "[ . 1]" 1
750 1 35 LEU QB 1 38 SER H . . 5.450 4.811 4.675 5.068 . 0 0 "[ . 1]" 1
751 1 35 LEU QD 1 38 SER H . . 5.280 4.712 4.592 4.902 . 0 0 "[ . 1]" 1
752 1 36 ALA H 1 36 ALA MB . . 2.670 2.162 2.025 2.243 . 0 0 "[ . 1]" 1
753 1 36 ALA HA 1 37 GLU HA . . 7.000 4.711 4.562 4.837 . 0 0 "[ . 1]" 1
754 1 36 ALA MB 1 37 GLU H . . 3.230 2.705 2.632 2.775 . 0 0 "[ . 1]" 1
755 1 36 ALA H 1 37 GLU H . . 5.140 2.593 2.477 2.729 . 0 0 "[ . 1]" 1
756 1 36 ALA H 1 37 GLU QB . . 5.090 4.584 4.367 4.931 . 0 0 "[ . 1]" 1
757 1 36 ALA H 1 37 GLU QG . . 5.600 4.493 3.979 4.857 . 0 0 "[ . 1]" 1
758 1 36 ALA HA 1 38 SER H . . 4.540 4.092 3.731 4.444 . 0 0 "[ . 1]" 1
759 1 36 ALA MB 1 38 SER H . . 4.560 4.399 4.270 4.555 . 0 0 "[ . 1]" 1
760 1 36 ALA HA 1 39 THR H . . 7.000 5.767 3.551 6.958 . 0 0 "[ . 1]" 1
761 1 37 GLU H 1 37 GLU HG3 . . 4.040 2.960 2.622 3.324 . 0 0 "[ . 1]" 1
762 1 37 GLU H 1 37 GLU HG2 . . 4.040 3.291 2.166 3.955 . 0 0 "[ . 1]" 1
763 1 37 GLU H 1 37 GLU QB . . 3.060 2.363 2.181 2.707 . 0 0 "[ . 1]" 1
764 1 37 GLU H 1 37 GLU QG . . 3.440 2.615 2.140 2.974 . 0 0 "[ . 1]" 1
765 1 37 GLU H 1 38 SER HA . . 5.300 4.939 4.591 5.306 0.006 5 0 "[ . 1]" 1
766 1 37 GLU HG3 1 38 SER H . . 5.120 4.136 2.275 5.115 . 0 0 "[ . 1]" 1
767 1 37 GLU HG2 1 38 SER H . . 5.120 4.493 2.959 5.121 0.001 8 0 "[ . 1]" 1
768 1 37 GLU HB3 1 38 SER H . . 4.390 3.894 3.469 4.390 . 0 0 "[ . 1]" 1
769 1 37 GLU HB2 1 38 SER H . . 4.390 3.510 2.812 4.203 . 0 0 "[ . 1]" 1
770 1 37 GLU H 1 38 SER QB . . 4.970 4.440 3.939 4.906 . 0 0 "[ . 1]" 1
771 1 37 GLU QB 1 38 SER H . . 3.770 3.238 2.741 3.757 . 0 0 "[ . 1]" 1
772 1 38 SER H 1 38 SER QB . . 3.020 2.637 2.180 3.074 0.054 10 0 "[ . 1]" 1
773 1 38 SER HA 1 39 THR H . . 3.390 2.826 2.180 3.419 0.029 9 0 "[ . 1]" 1
774 1 38 SER QB 1 39 THR H . . 4.150 3.790 3.057 4.048 . 0 0 "[ . 1]" 1
775 1 38 SER H 1 39 THR HA . . 5.380 4.981 4.473 5.310 . 0 0 "[ . 1]" 1
776 1 38 SER H 1 39 THR HB . . 6.450 5.825 5.023 6.361 . 0 0 "[ . 1]" 1
777 1 38 SER H 1 39 THR MG . . 6.050 5.285 3.980 5.993 . 0 0 "[ . 1]" 1
778 1 38 SER HA 1 40 GLU H . . 5.350 4.165 3.080 5.318 . 0 0 "[ . 1]" 1
779 1 38 SER QB 1 40 GLU H . . 4.990 4.447 3.165 4.989 . 0 0 "[ . 1]" 1
780 1 39 THR H 1 39 THR HB . . 4.140 3.133 2.591 3.744 . 0 0 "[ . 1]" 1
781 1 39 THR H 1 39 THR MG . . 4.110 3.455 2.411 3.878 . 0 0 "[ . 1]" 1
782 1 39 THR HB 1 40 GLU H . . 4.490 3.959 2.950 4.454 . 0 0 "[ . 1]" 1
783 1 39 THR HA 1 40 GLU H . . 3.530 2.742 2.185 3.486 . 0 0 "[ . 1]" 1
784 1 39 THR MG 1 40 GLU H . . 4.240 4.012 3.503 4.211 . 0 0 "[ . 1]" 1
785 1 39 THR H 1 40 GLU H . . 5.580 3.283 2.061 4.305 . 0 0 "[ . 1]" 1
786 1 39 THR HA 1 41 ASP H . . 5.010 4.153 3.284 4.999 . 0 0 "[ . 1]" 1
787 1 39 THR HB 1 41 ASP H . . 5.120 4.564 3.308 5.124 0.004 10 0 "[ . 1]" 1
788 1 39 THR MG 1 41 ASP H . . 5.410 4.123 2.822 5.398 . 0 0 "[ . 1]" 1
789 1 40 GLU H 1 40 GLU QG . . 3.890 2.992 2.310 3.934 0.044 9 0 "[ . 1]" 1
790 1 40 GLU H 1 40 GLU HB2 . . 4.100 2.547 2.210 3.701 . 0 0 "[ . 1]" 1
791 1 40 GLU H 1 40 GLU HB3 . . 4.100 3.325 2.340 3.685 . 0 0 "[ . 1]" 1
792 1 40 GLU H 1 40 GLU QB . . 3.230 2.365 2.188 2.829 . 0 0 "[ . 1]" 1
793 1 40 GLU HA 1 41 ASP H . . 3.130 2.516 2.203 2.924 . 0 0 "[ . 1]" 1
794 1 40 GLU QG 1 41 ASP H . . 4.720 4.312 3.718 4.698 . 0 0 "[ . 1]" 1
795 1 40 GLU HB3 1 41 ASP H . . 4.670 4.335 3.981 4.591 . 0 0 "[ . 1]" 1
796 1 40 GLU HB2 1 41 ASP H . . 4.670 4.455 4.245 4.657 . 0 0 "[ . 1]" 1
797 1 40 GLU H 1 41 ASP HA . . 5.370 5.060 4.820 5.376 0.006 2 0 "[ . 1]" 1
798 1 40 GLU HA 1 42 VAL H . . 4.980 3.859 3.419 4.577 . 0 0 "[ . 1]" 1
799 1 40 GLU QG 1 42 VAL H . . 5.520 4.940 3.091 5.474 . 0 0 "[ . 1]" 1
800 1 40 GLU QB 1 42 VAL H . . 5.530 4.079 3.590 4.912 . 0 0 "[ . 1]" 1
801 1 41 ASP H 1 41 ASP HB3 . . 4.010 3.294 2.807 4.004 . 0 0 "[ . 1]" 1
802 1 41 ASP H 1 41 ASP HB2 . . 4.010 3.171 2.416 3.762 . 0 0 "[ . 1]" 1
803 1 41 ASP H 1 41 ASP QB . . 3.330 2.751 2.383 3.329 . 0 0 "[ . 1]" 1
804 1 41 ASP HA 1 42 VAL H . . 3.140 2.691 2.394 2.880 . 0 0 "[ . 1]" 1
805 1 41 ASP HB3 1 42 VAL H . . 4.780 4.499 4.295 4.658 . 0 0 "[ . 1]" 1
806 1 41 ASP HB2 1 42 VAL H . . 4.780 4.370 4.144 4.652 . 0 0 "[ . 1]" 1
807 1 41 ASP H 1 42 VAL QG . . 5.570 3.372 2.837 3.933 . 0 0 "[ . 1]" 1
808 1 41 ASP HA 1 43 THR H . . 5.780 5.188 4.090 5.780 . 0 0 "[ . 1]" 1
809 1 41 ASP QB 1 43 THR H . . 5.830 5.248 4.703 5.819 . 0 0 "[ . 1]" 1
810 1 42 VAL H 1 42 VAL HB . . 3.290 2.721 2.530 3.249 . 0 0 "[ . 1]" 1
811 1 42 VAL H 1 42 VAL MG2 . . 4.230 2.832 2.089 3.890 . 0 0 "[ . 1]" 1
812 1 42 VAL H 1 42 VAL MG1 . . 4.230 3.467 1.943 3.911 . 0 0 "[ . 1]" 1
813 1 42 VAL H 1 42 VAL QG . . 3.340 2.422 1.938 2.884 . 0 0 "[ . 1]" 1
814 1 42 VAL HA 1 43 THR H . . 2.800 2.201 2.142 2.490 . 0 0 "[ . 1]" 1
815 1 42 VAL HB 1 43 THR H . . 4.430 4.345 4.191 4.426 . 0 0 "[ . 1]" 1
816 1 42 VAL MG2 1 43 THR H . . 4.750 3.883 2.458 4.333 . 0 0 "[ . 1]" 1
817 1 42 VAL MG1 1 43 THR H . . 4.750 3.339 2.858 4.077 . 0 0 "[ . 1]" 1
818 1 42 VAL H 1 43 THR HA . . 5.500 4.956 4.551 5.431 . 0 0 "[ . 1]" 1
819 1 42 VAL H 1 43 THR MG . . 5.490 4.780 4.233 5.442 . 0 0 "[ . 1]" 1
820 1 42 VAL QG 1 43 THR H . . 3.950 2.963 2.436 3.537 . 0 0 "[ . 1]" 1
821 1 42 VAL HA 1 44 TRP H . . 5.370 3.746 3.290 4.698 . 0 0 "[ . 1]" 1
822 1 42 VAL HB 1 44 TRP H . . 5.590 5.068 4.613 5.570 . 0 0 "[ . 1]" 1
823 1 42 VAL QG 1 44 TRP H . . 4.520 2.856 2.361 3.389 . 0 0 "[ . 1]" 1
824 1 43 THR H 1 43 THR HB . . 3.820 3.317 2.721 3.769 . 0 0 "[ . 1]" 1
825 1 43 THR H 1 43 THR MG . . 4.040 2.647 1.933 3.943 . 0 0 "[ . 1]" 1
826 1 43 THR HB 1 44 TRP H . . 4.200 4.047 3.741 4.202 0.002 10 0 "[ . 1]" 1
827 1 43 THR HA 1 44 TRP H . . 3.510 3.207 2.380 3.489 . 0 0 "[ . 1]" 1
828 1 43 THR MG 1 44 TRP H . . 4.640 3.394 2.000 4.324 . 0 0 "[ . 1]" 1
829 1 44 TRP HA 1 44 TRP HE3 . . 5.510 3.891 2.052 5.218 . 0 0 "[ . 1]" 1
830 1 44 TRP H 1 44 TRP HD1 . . 4.870 4.076 2.470 4.875 0.005 10 0 "[ . 1]" 1
831 1 44 TRP H 1 44 TRP HE3 . . 5.570 5.015 4.335 5.415 . 0 0 "[ . 1]" 1
832 1 44 TRP H 1 44 TRP QB . . 3.610 2.552 2.250 3.164 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 1.073
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 11 CYS 0.000 0.000 . 0 "[ . 1]"
1 16 LYS 0.000 0.000 . 0 "[ . 1]"
1 19 ALA 0.020 0.008 7 0 "[ . 1]"
1 22 LEU 0.020 0.008 7 0 "[ . 1]"
1 23 THR 0.000 0.000 . 0 "[ . 1]"
1 24 GLN 0.000 0.000 . 0 "[ . 1]"
1 25 LEU 0.000 0.000 . 0 "[ . 1]"
1 26 ASP 0.000 0.000 . 0 "[ . 1]"
1 27 VAL 0.000 0.000 . 0 "[ . 1]"
1 28 ASP 0.000 0.000 . 0 "[ . 1]"
1 29 SER 0.034 0.011 10 0 "[ . 1]"
1 30 HIS 0.000 0.000 . 0 "[ . 1]"
1 31 LEU 0.050 0.010 4 0 "[ . 1]"
1 32 ALA 0.000 0.000 . 0 "[ . 1]"
1 33 GLN 0.038 0.011 10 0 "[ . 1]"
1 34 CYS 0.000 0.000 . 0 "[ . 1]"
1 35 LEU 0.050 0.010 4 0 "[ . 1]"
1 36 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 GLU 0.004 0.004 3 0 "[ . 1]"
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 11 CYS O 1 16 LYS H . . 2.500 1.972 1.946 2.028 . 0 0 "[ . 1]" 2
2 1 11 CYS O 1 16 LYS N . . 3.500 2.915 2.891 2.966 . 0 0 "[ . 1]" 2
3 1 11 CYS H 1 16 LYS O . . 2.500 1.794 1.774 1.810 . 0 0 "[ . 1]" 2
4 1 11 CYS N 1 16 LYS O . . 3.500 2.764 2.745 2.777 . 0 0 "[ . 1]" 2
5 1 19 ALA O 1 22 LEU H . . 2.500 2.482 2.397 2.508 0.008 7 0 "[ . 1]" 2
6 1 19 ALA O 1 22 LEU N . . 3.500 3.279 3.223 3.309 . 0 0 "[ . 1]" 2
7 1 23 THR O 1 27 VAL H . . 2.500 2.092 1.959 2.166 . 0 0 "[ . 1]" 2
8 1 23 THR O 1 27 VAL N . . 3.500 3.039 2.925 3.111 . 0 0 "[ . 1]" 2
9 1 24 GLN O 1 28 ASP H . . 2.500 2.397 2.319 2.500 . 0 0 "[ . 1]" 2
10 1 24 GLN O 1 28 ASP N . . 3.500 3.367 3.290 3.475 . 0 0 "[ . 1]" 2
11 1 25 LEU O 1 29 SER H . . 2.500 2.276 2.125 2.433 . 0 0 "[ . 1]" 2
12 1 25 LEU O 1 29 SER N . . 3.500 3.123 2.975 3.287 . 0 0 "[ . 1]" 2
13 1 26 ASP O 1 30 HIS H . . 2.500 2.299 2.175 2.368 . 0 0 "[ . 1]" 2
14 1 26 ASP O 1 30 HIS N . . 3.500 3.241 3.129 3.307 . 0 0 "[ . 1]" 2
15 1 27 VAL O 1 31 LEU H . . 2.500 2.030 1.914 2.098 . 0 0 "[ . 1]" 2
16 1 27 VAL O 1 31 LEU N . . 3.500 2.957 2.840 3.012 . 0 0 "[ . 1]" 2
17 1 28 ASP O 1 32 ALA H . . 2.500 2.279 2.169 2.407 . 0 0 "[ . 1]" 2
18 1 28 ASP O 1 32 ALA N . . 3.500 3.002 2.928 3.116 . 0 0 "[ . 1]" 2
19 1 29 SER O 1 33 GLN H . . 2.500 2.471 2.338 2.511 0.011 10 0 "[ . 1]" 2
20 1 29 SER O 1 33 GLN N . . 3.500 3.398 3.292 3.443 . 0 0 "[ . 1]" 2
21 1 30 HIS O 1 34 CYS H . . 2.500 1.803 1.791 1.817 . 0 0 "[ . 1]" 2
22 1 30 HIS O 1 34 CYS N . . 3.500 2.727 2.715 2.744 . 0 0 "[ . 1]" 2
23 1 31 LEU O 1 35 LEU H . . 2.500 2.491 2.430 2.510 0.010 4 0 "[ . 1]" 2
24 1 31 LEU O 1 35 LEU N . . 3.500 3.389 3.276 3.460 . 0 0 "[ . 1]" 2
25 1 32 ALA O 1 36 ALA H . . 2.500 2.192 2.035 2.442 . 0 0 "[ . 1]" 2
26 1 32 ALA O 1 36 ALA N . . 3.500 3.000 2.805 3.367 . 0 0 "[ . 1]" 2
27 1 33 GLN O 1 37 GLU H . . 2.500 2.277 1.998 2.504 0.004 3 0 "[ . 1]" 2
28 1 33 GLN O 1 37 GLU N . . 3.500 3.117 2.800 3.362 . 0 0 "[ . 1]" 2
stop_
save_
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