NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
390541 |
1omu   |
42 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1omu
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 6
_Distance_constraint_stats_list.Viol_count 300
_Distance_constraint_stats_list.Viol_total 19868.980
_Distance_constraint_stats_list.Viol_max 2.531
_Distance_constraint_stats_list.Viol_rms 0.7189
_Distance_constraint_stats_list.Viol_average_all_restraints 1.3246
_Distance_constraint_stats_list.Viol_average_violations_only 1.3246
_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 12 PRO 97.561 2.334 28 50 [***********-***************+**********************]
1 22 PRO 122.564 2.531 17 50 [********-*******+*********************************]
1 29 LYS 30.271 1.203 27 19 "[ .* * *. **** * .*+ ** **- * 4 * . **5]"
1 42 VAL 97.561 2.334 28 50 [***********-***************+**********************]
1 54 GLY 158.798 2.531 17 50 [****************+********************************-]
1 55 LYS 146.984 1.759 10 50 [*********+***************************************-]
1 56 CYS 61.353 1.759 10 50 [*********+**************************************-*]
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 29 LYS H 1 29 LYS QB 1.900 . 1.970 2.575 2.328 3.173 1.203 27 19 "[ .* * *. **** * .*+ ** **- * 4 * . **5]" 1
2 1 55 LYS H 1 55 LYS QB . . 1.890 2.878 2.067 3.050 1.160 17 42 "[***** *-*1** ** +**2****** **3***** **************]" 1
3 1 55 LYS QB 1 56 CYS H 1.900 . 2.040 3.267 2.723 3.799 1.759 10 50 [*********+**************************************-*] 1
4 1 12 PRO QD 1 42 VAL QG . . 0.640 2.591 1.807 2.974 2.334 28 50 [***********-***************+**********************] 1
5 1 22 PRO QB 1 54 GLY QA . . 0.880 3.331 3.263 3.411 2.531 17 50 [********-*******+*********************************] 1
6 1 54 GLY QA 1 55 LYS H . . 1.560 2.285 2.215 2.326 0.766 27 50 [**************************+**********************-] 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 6
_Distance_constraint_stats_list.Viol_count 299
_Distance_constraint_stats_list.Viol_total 19122.260
_Distance_constraint_stats_list.Viol_max 2.829
_Distance_constraint_stats_list.Viol_rms 0.7205
_Distance_constraint_stats_list.Viol_average_all_restraints 1.2748
_Distance_constraint_stats_list.Viol_average_violations_only 1.2791
_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 13 LYS 59.561 0.989 16 39 "[ ** ****** * **+ **2**- *** ******** *** ********]"
1 14 PRO 108.609 1.117 50 50 [**********************-**************************+]
1 15 ALA 49.048 1.117 50 50 [********-****************************************+]
1 20 TYR 148.375 2.240 5 50 [****+********************************************-]
1 26 SER 125.461 2.829 20 50 [*******************+**************-***************]
1 32 GLY 148.375 2.240 5 50 [****+********************************************-]
1 49 THR 125.461 2.829 20 50 [*******************+**************-***************]
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 26 SER QB 1 49 THR MG . . 1.130 3.639 3.230 3.959 2.829 20 50 [*******************+**************-***************] 2
2 1 13 LYS HA 1 14 PRO QD . . 1.420 1.863 1.824 2.322 0.902 50 1 "[ . 1 . 2 . 3 . 4 . +]" 2
3 1 13 LYS QB 1 14 PRO QD 1.900 . 1.990 2.734 1.769 2.979 0.989 16 38 "[ ** ****** * **+ **2**- *** ******** *** *******5]" 2
4 1 14 PRO QD 1 15 ALA H 1.900 . 1.990 2.971 2.920 3.107 1.117 50 50 [********-****************************************+] 2
5 1 20 TYR QD 1 32 GLY QA . . 1.500 3.348 2.787 3.740 2.240 5 50 [-***+*********************************************] 2
6 1 20 TYR QE 1 32 GLY QA . . 0.840 1.959 1.876 2.253 1.413 1 50 [+************************************************-] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 3809.303
_Distance_constraint_stats_list.Viol_max 1.958
_Distance_constraint_stats_list.Viol_rms 0.6279
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7619
_Distance_constraint_stats_list.Viol_average_violations_only 0.7619
_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 41 VAL 56.480 1.686 21 50 [********************+***-*************************]
1 46 GLY 56.480 1.686 21 50 [********************+***-*************************]
1 55 LYS 19.706 1.958 10 9 "[ .* - + * .* * . * * .* 4 . 5]"
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 55 LYS H 1 55 LYS QG . . 1.730 2.124 1.746 3.688 1.958 10 9 "[ .* - + * .* * . * * .* 4 . 5]" 3
2 1 41 VAL QG 1 46 GLY QA . . 0.840 1.970 1.680 2.526 1.686 21 50 [********************+***-*************************] 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 288
_Distance_constraint_stats_list.Viol_total 13616.691
_Distance_constraint_stats_list.Viol_max 3.145
_Distance_constraint_stats_list.Viol_rms 0.7591
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9078
_Distance_constraint_stats_list.Viol_average_violations_only 0.9456
_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 25 GLY 80.722 1.964 20 50 [*******************+****************************-*]
1 37 PHE 12.373 1.516 31 6 "[ * 1 . 2 **. *+ . 4 - . 5]"
1 45 ASN 76.888 3.145 24 49 "[********************** +*************-************]"
1 47 THR 76.888 3.145 24 49 "[********************** +*************-************]"
1 48 LEU 58.382 1.964 20 50 [*******************+****************************-*]
1 50 LEU 9.967 1.092 23 5 "[ * 1 . 2 +*. - . 4 * . 5]"
1 51 SER 114.724 1.888 9 50 [*-******+*****************************************]
1 52 HIS 114.724 1.888 9 50 [*-******+*****************************************]
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 45 ASN QB 1 47 THR MG . . 1.400 2.938 1.816 4.545 3.145 24 49 "[********************** +*************-************]" 4
2 1 51 SER QB 1 52 HIS H . . 1.310 2.977 2.627 3.198 1.888 9 50 [********+****************************-************] 4
3 1 51 SER QB 1 52 HIS HD2 1.900 . 1.970 2.596 1.900 3.331 1.361 18 26 "[*- ** *** .* + 2 ***.* **** *.* ** * *.** *5]" 4
4 1 25 GLY QA 1 37 PHE QE . . 1.730 1.977 1.744 3.246 1.516 31 6 "[ * 1 . 2 **. *+ . 4 - . 5]" 4
5 1 25 GLY QA 1 48 LEU QD . . 0.940 2.108 1.549 2.904 1.964 20 50 [*******************+****************************-*] 4
6 1 25 GLY QA 1 50 LEU HA 1.900 . 1.990 2.176 1.872 3.082 1.092 23 5 "[ * 1 . 2 +*. - . 4 * . 5]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 5
_Distance_constraint_stats_list.Viol_count 235
_Distance_constraint_stats_list.Viol_total 25195.938
_Distance_constraint_stats_list.Viol_max 3.371
_Distance_constraint_stats_list.Viol_rms 0.7496
_Distance_constraint_stats_list.Viol_average_all_restraints 2.0157
_Distance_constraint_stats_list.Viol_average_violations_only 2.1443
_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 19 GLU 257.454 3.371 32 50 [************-******************+******************]
1 20 TYR 126.780 2.761 23 50 [**********************+*********-*****************]
1 21 ARG 130.674 3.371 32 50 [************-******************+******************]
1 29 LYS 54.537 1.694 49 35 "[***** ***1*** *-* 2** ** **3 ** *** *** ***** +*]"
1 40 ALA 92.306 2.336 35 50 [******-***************************+***************]
1 43 GLU 191.928 2.336 35 50 [******-***************************+***************]
1 44 SER 99.622 2.146 25 50 [***********-************+*************************]
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 40 ALA HA 1 43 GLU QB . . 1.260 3.106 2.580 3.596 2.336 35 50 [******-***************************+***************] 5
2 1 43 GLU QB 1 44 SER H . . 1.560 3.552 3.194 3.706 2.146 25 50 [***********-************+*************************] 5
3 1 19 GLU QG 1 20 TYR H . . 1.480 4.016 3.540 4.241 2.761 23 50 [**********************+*********-*****************] 5
4 1 19 GLU QG 1 21 ARG QG . . 1.110 3.723 1.842 4.481 3.371 32 50 [************-******************+******************] 5
5 1 29 LYS H 1 29 LYS QG 1.900 . 2.500 3.433 1.806 4.194 1.694 49 35 "[***** ***1*** *-* 2** ** **3 ** *** *** ***** +*]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 461
_Distance_constraint_stats_list.Viol_count 2533
_Distance_constraint_stats_list.Viol_total 11566.196
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0400
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0913
_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 1 LEU 0.015 0.015 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 2 ALA 0.015 0.015 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 3 ALA 0.023 0.019 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 VAL 2.214 0.318 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 SER 0.588 0.145 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 VAL 13.611 0.373 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 ASP 8.453 0.262 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 CYS 5.219 0.167 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 SER 3.806 0.218 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 GLU 3.891 0.218 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 TYR 32.699 0.396 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 PRO 23.084 0.396 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 LYS 0.003 0.003 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 ALA 0.122 0.063 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 CYS 5.193 0.178 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 THR 5.925 0.392 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 LEU 6.268 0.392 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 GLU 4.036 0.361 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 TYR 1.913 0.103 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 ARG 1.254 0.070 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 22 PRO 0.983 0.069 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 LEU 14.701 0.373 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 CYS 0.880 0.198 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 GLY 1.865 0.163 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 SER 12.923 0.399 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASP 0.613 0.085 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 ASN 3.529 0.234 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 LYS 0.643 0.069 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 THR 0.432 0.107 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 TYR 3.830 0.116 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 GLY 5.278 0.285 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ASN 20.246 0.280 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 LYS 41.842 0.361 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 CYS 6.285 0.208 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 ASN 10.690 0.285 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 PHE 12.383 0.214 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 CYS 6.983 0.183 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 ASN 11.069 0.214 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 ALA 5.154 0.295 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 VAL 3.743 0.296 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 VAL 25.439 0.233 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLU 3.427 0.242 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 SER 1.141 0.089 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 ASN 1.225 0.104 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 GLY 0.398 0.069 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 THR 1.511 0.104 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 LEU 18.896 0.296 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 THR 21.543 0.399 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 LEU 12.735 0.318 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 SER 2.952 0.144 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 HIS 6.385 0.159 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 PHE 8.475 0.222 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 GLY 17.545 0.380 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 LYS 15.682 0.380 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 CYS 0.626 0.069 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 2 ALA H 2.990 . 2.990 2.461 2.183 3.005 0.015 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
2 1 3 ALA MB 1 4 VAL H 4.360 . 4.360 2.874 1.994 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
3 1 3 ALA MB 1 5 SER H 5.550 . 5.550 3.950 3.012 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
4 1 3 ALA HA 1 4 VAL H 2.810 . 2.810 2.424 2.183 2.829 0.019 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
5 1 4 VAL H 1 4 VAL QG 4.160 . 5.700 2.065 1.782 2.637 0.118 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
6 1 4 VAL QG 1 5 SER H 4.790 . 6.110 3.517 2.390 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
7 1 4 VAL QG 1 50 LEU QD 6.590 . 8.130 2.682 1.582 3.882 0.318 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
8 1 4 VAL QG 1 52 HIS HA 5.030 . 6.570 3.710 2.638 4.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
9 1 4 VAL QG 1 53 PHE H 5.550 . 7.090 4.281 3.285 5.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
10 1 4 VAL QG 1 5 SER HA 5.840 . 7.380 4.060 3.374 4.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
11 1 4 VAL QG 1 53 PHE QD 6.140 . 7.680 3.409 2.184 4.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
12 1 4 VAL HA 1 5 SER H 2.490 . 2.490 2.355 2.145 2.576 0.086 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
13 1 4 VAL HB 1 50 LEU QD 5.840 . 5.840 3.384 1.793 4.692 0.107 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
14 1 4 VAL HB 1 53 PHE QE 5.160 . 5.160 3.504 1.873 5.123 0.027 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
15 1 5 SER H 1 53 PHE QE 4.300 . 4.300 3.388 1.877 4.426 0.126 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
16 1 5 SER HA 1 6 VAL QG 5.840 . 7.380 3.635 2.927 4.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
17 1 5 SER HA 1 6 VAL H 2.450 . 3.150 2.409 2.187 3.160 0.010 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
18 1 5 SER HA 1 50 LEU QD 5.280 . 5.280 2.738 1.755 4.556 0.145 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
19 1 5 SER QB 1 6 VAL QG 6.140 . 8.560 4.294 2.991 4.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
20 1 5 SER QB 1 50 LEU QD 6.140 . 7.020 3.976 2.201 4.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
21 1 6 VAL H 1 6 VAL QG 3.260 . 6.800 2.395 1.931 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
22 1 6 VAL QG 1 7 ASP H 4.790 . 6.110 2.172 1.679 3.675 0.221 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
23 1 6 VAL QG 1 23 LEU QD 7.180 . 8.130 2.073 1.527 3.117 0.373 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
24 1 6 VAL QG 1 34 LYS HE2 6.140 . 7.380 4.975 4.238 5.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
25 1 6 VAL QG 1 37 PHE QD 5.030 . 6.330 2.489 1.819 3.523 0.081 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
26 1 6 VAL QG 1 37 PHE QE 5.030 . 6.570 2.988 1.901 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
27 1 6 VAL QG 1 50 LEU QD 6.590 . 7.370 2.883 1.664 4.040 0.236 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
28 1 6 VAL QG 1 53 PHE QE 5.030 . 6.570 2.306 1.753 3.707 0.147 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
29 1 6 VAL H 1 50 LEU QD 5.280 . 5.280 3.554 2.706 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
30 1 6 VAL HA 1 7 ASP H 2.150 . 2.850 2.604 2.222 3.112 0.262 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
31 1 6 VAL HA 1 50 LEU QD 6.460 . 6.460 4.836 3.677 5.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
32 1 6 VAL HB 1 7 ASP H 2.910 . 3.610 3.649 3.493 3.785 0.175 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
33 1 6 VAL HB 1 37 PHE QD 4.860 . 4.860 3.172 2.021 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
34 1 6 VAL HB 1 37 PHE QE 4.050 . 4.050 3.674 2.365 4.132 0.082 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
35 1 6 VAL HB 1 50 LEU QD 6.140 . 6.140 4.177 2.291 4.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
36 1 7 ASP H 1 7 ASP HB3 2.880 . 3.580 2.832 2.393 3.585 0.005 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
37 1 7 ASP H 1 7 ASP HB2 2.530 . 3.230 2.848 2.293 3.234 0.004 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
38 1 8 CYS H 1 8 CYS HB2 2.610 . 3.310 2.860 2.343 3.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
39 1 8 CYS H 1 8 CYS HB3 3.300 . 4.300 3.802 3.033 3.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
40 1 8 CYS H 1 9 SER H 2.290 . 2.790 2.611 1.869 2.850 0.060 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
41 1 8 CYS HA 1 10 GLU H 6.300 . 6.300 3.037 2.939 3.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
42 1 8 CYS HA 1 11 TYR H 4.570 . 4.570 3.952 3.289 4.611 0.041 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
43 1 8 CYS HA 1 11 TYR QD 3.170 . 3.170 1.967 1.815 2.432 0.085 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
44 1 8 CYS HA 1 38 CYS HB3 4.300 . 4.300 3.816 2.762 4.467 0.167 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
45 1 8 CYS HA 1 38 CYS HB2 5.160 . 5.160 4.349 3.044 5.174 0.014 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
46 1 8 CYS HB2 1 9 SER H 4.570 . 4.570 4.268 3.975 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
47 1 8 CYS HB2 1 11 TYR QD 4.570 . 4.570 3.938 3.217 4.680 0.110 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
48 1 8 CYS HB2 1 41 VAL QG 5.550 . 5.550 2.754 1.907 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
49 1 8 CYS HB2 1 42 VAL QG 6.140 . 6.140 3.811 2.893 4.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
50 1 8 CYS HB3 1 11 TYR QD 4.860 . 4.860 2.869 1.866 4.882 0.034 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
51 1 8 CYS HB3 1 38 CYS HB2 4.860 . 4.860 4.143 3.479 5.023 0.163 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
52 1 8 CYS HB3 1 41 VAL QG 6.140 . 6.140 3.467 2.853 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
53 1 8 CYS HB3 1 42 VAL QG 6.140 . 6.140 3.141 2.546 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
54 1 9 SER H 1 9 SER HB3 3.580 . 3.580 2.797 2.175 3.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
55 1 9 SER H 1 9 SER HB2 3.810 . 3.810 2.572 2.127 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
56 1 9 SER H 1 10 GLU QG 4.860 . 5.740 4.285 3.133 5.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
57 1 9 SER H 1 11 TYR H 3.570 . 5.090 4.456 3.958 5.141 0.051 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
58 1 9 SER H 1 11 TYR QD 4.570 . 4.570 3.832 3.434 4.166 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
59 1 9 SER HA 1 10 GLU H 2.400 . 3.100 3.156 3.018 3.318 0.218 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
60 1 9 SER HA 1 11 TYR H 4.570 . 4.570 3.928 3.599 4.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
61 1 9 SER HB3 1 10 GLU H 4.050 . 4.050 3.877 3.445 4.066 0.016 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
62 1 9 SER HB2 1 10 GLU H 4.570 . 4.570 4.304 3.430 4.635 0.065 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
63 1 10 GLU H 1 10 GLU QG 2.990 . 4.570 2.984 1.876 3.807 0.024 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
64 1 10 GLU H 1 11 TYR H 2.590 . 3.090 2.103 1.806 2.889 0.094 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
65 1 10 GLU H 1 11 TYR QD 2.680 . 3.180 2.463 2.129 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
66 1 10 GLU QG 1 11 TYR H 4.860 . 5.740 3.881 2.314 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
67 1 11 TYR H 1 11 TYR QD 3.370 . 3.370 2.569 1.881 3.337 0.019 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
68 1 11 TYR H 1 12 PRO HA 4.300 . 4.300 4.569 4.458 4.696 0.396 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
69 1 11 TYR H 1 42 VAL QG 5.280 . 5.280 3.271 2.795 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
70 1 11 TYR HA 1 11 TYR QD 3.810 . 3.810 2.847 2.597 2.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
71 1 11 TYR HA 1 12 PRO HA 3.370 . 3.370 2.343 2.132 2.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
72 1 11 TYR HA 1 13 LYS H 3.400 . 4.400 3.297 2.496 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
73 1 11 TYR HB2 1 12 PRO HA 3.580 . 3.580 3.369 3.272 3.603 0.023 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
74 1 11 TYR HB2 1 42 VAL QG 5.280 . 5.280 1.949 1.751 2.447 0.149 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
75 1 11 TYR HB3 1 11 TYR QD 3.370 . 3.370 2.442 2.387 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
76 1 11 TYR HB3 1 12 PRO HA 3.170 . 3.170 1.801 1.739 2.131 0.161 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
77 1 11 TYR HB3 1 13 LYS H 6.300 . 6.300 3.818 3.058 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
78 1 11 TYR HB3 1 42 VAL QG 5.030 . 5.030 1.909 1.676 2.670 0.224 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
79 1 11 TYR QD 1 12 PRO HA 3.370 . 3.370 2.387 1.871 3.228 0.029 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
80 1 11 TYR QD 1 13 LYS H 3.580 . 3.580 2.475 1.897 3.445 0.003 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
81 1 11 TYR QD 1 39 ASN H 4.300 . 4.300 3.832 3.138 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
82 1 11 TYR QD 1 39 ASN HA 4.570 . 4.570 3.629 3.158 4.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
83 1 11 TYR QD 1 38 CYS HB3 3.810 . 3.810 2.972 2.652 3.718 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
84 1 11 TYR QD 1 38 CYS HB2 4.300 . 4.300 3.646 2.989 4.099 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
85 1 11 TYR QD 1 42 VAL QG 6.140 . 6.140 3.270 2.979 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
86 1 11 TYR QE 1 13 LYS QB 4.050 . 4.050 3.146 2.265 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
87 1 11 TYR QE 1 34 LYS HE3 4.570 . 4.570 3.635 2.156 4.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
88 1 11 TYR QE 1 35 CYS H 4.300 . 4.300 4.333 4.022 4.475 0.175 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
89 1 11 TYR QE 1 35 CYS HA 3.170 . 3.170 1.932 1.793 2.630 0.107 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
90 1 11 TYR QE 1 35 CYS HB2 4.860 . 4.860 2.774 1.868 3.866 0.032 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
91 1 12 PRO HA 1 39 ASN HA 4.050 . 4.050 3.204 2.473 3.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
92 1 12 PRO HA 1 42 VAL QG 5.030 . 5.030 2.683 2.237 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
93 1 12 PRO HB2 1 13 LYS H 3.050 . 4.050 2.809 2.012 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
94 1 12 PRO HB2 1 42 VAL QG 6.140 . 6.140 3.797 3.003 4.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
95 1 12 PRO HB3 1 13 LYS H 3.600 . 4.600 3.560 3.166 3.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
96 1 12 PRO HB3 1 39 ASN HA 4.860 . 4.860 3.086 2.263 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
97 1 12 PRO HB3 1 42 VAL QG 5.280 . 5.280 2.552 1.667 3.705 0.233 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
98 1 13 LYS H 1 39 ASN HD21 6.300 . 6.300 4.440 2.296 5.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
99 1 13 LYS H 1 39 ASN HD22 3.020 . 4.020 3.137 2.161 4.020 0.000 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
100 1 13 LYS HA 1 15 ALA H 4.570 . 4.570 3.791 3.709 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
101 1 13 LYS QB 1 15 ALA H . . 3.810 2.258 2.125 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
102 1 14 PRO HA 1 15 ALA H 3.370 . 3.370 3.177 3.156 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
103 1 14 PRO QG 1 15 ALA H 3.370 . 4.250 3.797 3.734 3.844 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
104 1 15 ALA MB 1 16 CYS H 3.540 . 5.540 3.261 2.619 3.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
105 1 15 ALA H 1 16 CYS H 4.300 . 4.300 3.955 3.582 4.363 0.063 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
106 1 15 ALA HA 1 16 CYS H 2.270 . 2.970 2.244 2.192 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
107 1 16 CYS H 1 16 CYS HB2 2.800 . 3.500 2.529 2.146 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
108 1 16 CYS HA 1 17 THR MG 5.550 . 5.550 4.005 3.045 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
109 1 16 CYS HA 1 17 THR H 2.640 . 3.340 2.277 2.152 3.380 0.040 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
110 1 16 CYS HA 1 35 CYS HB3 4.860 . 4.860 3.128 2.357 4.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
111 1 16 CYS HA 1 35 CYS HB2 4.860 . 4.860 2.774 1.890 4.867 0.010 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
112 1 16 CYS HB3 1 17 THR H 2.720 . 3.420 3.230 2.777 3.557 0.137 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
113 1 16 CYS HB3 1 33 ASN QD 4.300 . 4.300 2.514 1.987 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
114 1 16 CYS HB3 1 36 ASN H 4.570 . 4.570 4.200 3.488 4.748 0.178 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
115 1 16 CYS HB3 1 36 ASN HD21 4.570 . 4.570 3.436 2.925 4.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
116 1 16 CYS HB3 1 36 ASN HD22 4.050 . 4.050 3.573 2.838 4.198 0.148 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
117 1 16 CYS HB2 1 17 THR H 4.160 . 5.660 4.146 3.677 4.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
118 1 16 CYS HB2 1 33 ASN QD 4.300 . 4.300 3.701 3.213 4.319 0.019 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
119 1 16 CYS HB2 1 36 ASN HD21 4.050 . 4.050 4.072 3.612 4.155 0.105 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
120 1 16 CYS HB2 1 36 ASN HD22 3.810 . 3.810 3.565 3.067 3.921 0.111 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
121 1 17 THR H 1 17 THR MG 3.240 . 5.240 2.435 1.829 3.892 0.071 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
122 1 17 THR HA 1 17 THR MG 3.980 . 3.980 2.269 1.935 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
123 1 17 THR MG 1 18 LEU H 4.940 . 7.440 3.454 1.993 3.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
124 1 17 THR MG 1 19 GLU H 5.820 . 8.320 4.389 1.676 5.705 0.224 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
125 1 17 THR HA 1 18 LEU QD 5.550 . 7.090 3.782 2.232 5.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
126 1 17 THR HA 1 18 LEU H 2.380 . 3.080 2.827 2.333 3.472 0.392 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
127 1 17 THR HB 1 18 LEU QD 6.810 . 8.350 4.132 2.660 5.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
128 1 17 THR HB 1 18 LEU H 2.440 . 3.140 2.120 1.828 3.268 0.128 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
129 1 17 THR HB 1 19 GLU H 3.130 . 4.130 3.058 2.266 4.412 0.282 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
130 1 18 LEU H 1 18 LEU QD 4.790 . 6.330 2.815 1.680 3.670 0.220 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
131 1 18 LEU HA 1 18 LEU QD 4.160 . 5.700 2.933 1.889 3.443 0.011 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
132 1 18 LEU QD 1 19 GLU H 5.280 . 6.820 3.546 2.611 4.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
133 1 18 LEU H 1 18 LEU HG 3.370 . 3.370 2.615 1.891 3.615 0.245 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
134 1 18 LEU H 1 19 GLU H 2.540 . 3.040 2.206 1.833 3.401 0.361 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
135 1 18 LEU HA 1 19 GLU H 3.040 . 4.040 3.280 2.119 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
136 1 18 LEU HA 1 33 ASN QD . . 4.050 3.507 3.182 3.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
137 1 19 GLU H 1 20 TYR H 6.300 . 6.300 4.650 4.502 4.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
138 1 19 GLU HA 1 20 TYR H 2.200 . 2.900 2.411 2.182 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
139 1 19 GLU QB 1 21 ARG QG 4.050 . 5.810 2.730 2.289 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
140 1 20 TYR H 1 20 TYR HB2 2.960 . 3.660 2.748 2.415 3.238 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
141 1 20 TYR H 1 20 TYR HB3 2.720 . 3.420 2.690 2.491 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
142 1 20 TYR HA 1 20 TYR QD 3.170 . 3.170 1.908 1.840 2.372 0.060 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
143 1 20 TYR HA 1 21 ARG H 2.310 . 3.010 2.264 2.072 2.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
144 1 20 TYR HA 1 21 ARG QB 4.860 . 5.740 4.736 4.183 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
145 1 20 TYR HA 1 33 ASN HB2 4.860 . 4.860 4.233 3.486 4.963 0.103 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
146 1 20 TYR HA 1 33 ASN QD 4.860 . 4.860 4.357 3.120 4.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
147 1 20 TYR HB2 1 20 TYR QD 3.370 . 3.370 2.747 2.602 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
148 1 20 TYR HB2 1 21 ARG H 4.270 . 5.770 4.576 4.370 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
149 1 20 TYR HB3 1 20 TYR QD 3.170 . 3.170 2.334 2.308 2.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
150 1 20 TYR HB3 1 21 ARG H 3.930 . 4.930 4.382 4.040 4.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
151 1 20 TYR QD 1 22 PRO QG 4.300 . 5.180 3.720 3.109 4.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
152 1 20 TYR QD 1 22 PRO QD 4.860 . 5.740 3.204 2.945 3.458 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
153 1 20 TYR QD 1 21 ARG H 3.920 . 4.920 3.435 2.675 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
154 1 20 TYR QE 1 22 PRO QG 4.050 . 4.930 2.874 2.374 3.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
155 1 20 TYR QE 1 22 PRO QD 5.160 . 6.040 3.554 3.025 3.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
156 1 20 TYR QE 1 22 PRO QB 3.580 . 3.580 3.272 2.766 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
157 1 20 TYR QE 1 30 THR MG 5.280 . 5.280 4.245 4.093 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
158 1 20 TYR QE 1 32 GLY H 4.570 . 4.570 4.569 4.461 4.620 0.050 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
159 1 21 ARG H 1 21 ARG QG 4.180 . 6.560 2.542 1.830 3.671 0.070 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
160 1 21 ARG H 1 33 ASN HB3 4.300 . 4.300 2.199 1.853 2.579 0.047 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
161 1 21 ARG H 1 33 ASN HB2 2.680 . 3.380 2.785 2.082 3.393 0.013 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
162 1 21 ARG HA 1 21 ARG QG 3.370 . 4.250 2.667 2.126 3.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
163 1 21 ARG HA 1 22 PRO QD 2.990 . 3.870 1.885 1.831 1.946 0.069 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
164 1 21 ARG QB 1 33 ASN HA 4.050 . 4.930 2.964 2.057 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
165 1 21 ARG QB 1 33 ASN HB2 4.860 . 5.740 3.016 2.274 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
166 1 21 ARG HE 1 21 ARG QG 3.580 . 4.460 2.460 2.103 3.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
167 1 22 PRO HA 1 23 LEU QD 5.840 . 5.840 3.977 2.896 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
168 1 22 PRO HA 1 23 LEU H 2.210 . 2.910 2.242 2.159 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
169 1 22 PRO QB 1 23 LEU H 3.830 . 4.830 3.594 3.063 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
170 1 22 PRO QB 1 55 LYS H 3.810 . 3.810 3.155 2.840 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
171 1 22 PRO QB 1 55 LYS HA 4.300 . 4.300 2.426 2.129 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
172 1 23 LEU H 1 23 LEU QD 4.790 . 4.790 2.835 1.837 3.199 0.063 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
173 1 23 LEU QD 1 33 ASN H 4.350 . 6.850 4.269 3.704 4.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
174 1 23 LEU QD 1 33 ASN HA 5.030 . 5.030 3.175 2.035 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
175 1 23 LEU QD 1 34 LYS H 3.950 . 5.550 2.958 2.193 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
176 1 23 LEU QD 1 34 LYS HA 4.360 . 4.360 1.710 1.626 1.777 0.274 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
177 1 23 LEU QD 1 34 LYS HB2 5.550 . 5.550 3.156 2.445 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
178 1 23 LEU QD 1 34 LYS HB3 5.840 . 5.840 2.738 2.107 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
179 1 23 LEU QD 1 37 PHE H 4.790 . 4.790 3.130 2.748 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
180 1 23 LEU QD 1 37 PHE HA 6.810 . 6.810 4.017 3.755 4.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
181 1 23 LEU QD 1 37 PHE QD 5.030 . 5.030 2.474 1.858 3.308 0.042 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
182 1 23 LEU QD 1 50 LEU QD . . 5.830 2.603 2.110 3.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
183 1 23 LEU QD 1 53 PHE QD . . 4.790 2.089 1.678 2.558 0.222 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
184 1 23 LEU QD 1 53 PHE QE . . 5.030 2.661 2.042 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
185 1 23 LEU HA 1 23 LEU QD 4.790 . 4.790 2.586 2.080 3.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
186 1 23 LEU QD 1 24 CYS H 5.280 . 5.280 4.091 3.627 4.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
187 1 23 LEU QD 1 53 PHE HA 5.030 . 5.030 2.703 1.849 3.412 0.051 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
188 1 23 LEU QD 1 53 PHE HB2 6.810 . 6.810 4.343 3.648 5.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
189 1 23 LEU QD 1 53 PHE HB3 6.460 . 6.460 3.218 2.392 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
190 1 23 LEU QD 1 54 GLY H 4.430 . 6.930 3.412 2.502 3.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
191 1 23 LEU H 1 23 LEU HG 3.150 . 4.150 2.331 1.877 3.813 0.023 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
192 1 23 LEU H 1 30 THR MG 4.790 . 4.790 3.755 3.378 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
193 1 23 LEU H 1 31 TYR H 3.010 2.010 4.010 3.020 2.691 3.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
194 1 23 LEU HA 1 24 CYS H 3.170 . 3.170 2.218 2.158 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
195 1 23 LEU HA 1 50 LEU QD 5.550 . 5.550 2.960 2.279 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
196 1 23 LEU QB 1 31 TYR H 4.570 . 5.450 3.970 3.666 4.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
197 1 23 LEU QB 1 37 PHE QD 4.050 . 4.930 2.870 2.439 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
198 1 23 LEU QB 1 50 LEU QD 4.360 . 5.240 2.060 1.710 2.464 0.190 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
199 1 23 LEU QB 1 54 GLY H 4.510 . 6.890 4.024 3.664 4.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
200 1 23 LEU HG 1 33 ASN HA 5.160 . 5.160 3.670 2.873 4.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
201 1 23 LEU HG 1 50 LEU QD 6.140 . 6.140 4.278 3.287 4.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
202 1 23 LEU HG 1 53 PHE QD 4.860 . 4.860 4.370 2.431 4.865 0.005 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
203 1 24 CYS H 1 24 CYS QB 2.750 . 3.450 2.262 2.130 2.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
204 1 24 CYS H 1 50 LEU QD 4.250 . 6.750 2.539 1.702 4.212 0.198 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
205 1 24 CYS H 1 52 HIS H 3.050 2.050 4.050 3.723 2.742 4.094 0.044 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
206 1 24 CYS H 1 53 PHE HA 4.300 . 4.300 3.357 2.777 4.079 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
207 1 24 CYS HA 1 30 THR MG 5.840 . 5.840 3.815 3.199 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
208 1 24 CYS HA 1 30 THR HA 3.170 . 3.170 2.194 1.904 2.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
209 1 24 CYS QB 1 52 HIS HD2 4.570 . 4.570 2.283 1.801 4.202 0.099 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
210 1 24 CYS QB 1 52 HIS HE1 . . 4.050 3.365 2.150 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
211 1 24 CYS QB 1 56 CYS H 4.200 . 4.330 2.833 1.882 4.194 0.018 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
212 1 24 CYS QB 1 25 GLY H 4.570 . 4.570 3.576 2.649 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
213 1 24 CYS QB 1 30 THR HA 4.860 . 4.860 3.816 3.354 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
214 1 24 CYS QB 1 52 HIS H 3.760 . 4.760 3.043 2.270 3.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
215 1 24 CYS QB 1 55 LYS HA 5.160 . 5.160 3.772 2.949 4.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
216 1 24 CYS QB 1 56 CYS HA 3.810 . 3.810 2.969 2.367 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
217 1 25 GLY H 1 28 ASN HA 4.570 . 4.570 4.552 4.195 4.733 0.163 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
218 1 25 GLY H 1 29 LYS H 3.210 2.210 4.210 2.787 2.258 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
219 1 25 GLY H 1 31 TYR QD 4.050 . 4.050 3.481 2.673 4.102 0.052 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
220 1 26 SER H 1 27 ASP H 3.000 . 3.500 2.468 2.180 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
221 1 26 SER H 1 28 ASN H 4.860 . 4.860 4.167 3.862 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
222 1 26 SER H 1 48 LEU QD 4.570 . 4.570 2.252 1.752 3.449 0.148 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
223 1 26 SER H 1 48 LEU HG 4.050 . 4.050 3.756 2.337 4.179 0.129 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
224 1 26 SER H 1 49 THR H 3.190 . 4.190 4.232 2.779 4.589 0.399 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
225 1 26 SER H 1 51 SER H 3.500 . 4.500 4.340 3.767 4.570 0.070 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
226 1 26 SER HA 1 28 ASN H 3.310 . 4.310 3.862 3.306 4.544 0.234 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
227 1 27 ASP H 1 27 ASP HB3 3.060 . 4.060 2.938 2.558 3.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
228 1 27 ASP H 1 28 ASN H 2.280 . 2.780 2.243 1.849 2.865 0.085 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
229 1 27 ASP H 1 29 LYS H 2.980 . 3.480 3.351 2.819 3.549 0.069 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
230 1 27 ASP H 1 48 LEU QD 3.250 . 5.250 3.183 1.898 4.039 0.002 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
231 1 27 ASP HB3 1 48 LEU QD 5.550 . 5.550 3.970 2.622 4.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
232 1 27 ASP HB2 1 28 ASN H 4.570 . 4.570 4.148 3.461 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
233 1 27 ASP HB2 1 48 LEU QD 6.460 . 6.460 4.933 4.019 5.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
234 1 28 ASN H 1 28 ASN HA 2.100 . 2.800 2.437 2.327 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
235 1 28 ASN H 1 29 LYS H 2.410 . 2.910 2.261 1.839 2.784 0.061 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
236 1 28 ASN H 1 48 LEU QD 7.280 . 7.280 4.566 3.703 5.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
237 1 29 LYS HA 1 30 THR H 2.190 . 2.890 2.296 2.156 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
238 1 30 THR H 1 30 THR MG 4.490 . 6.990 3.779 3.700 3.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
239 1 30 THR MG 1 31 TYR H 3.900 . 5.900 2.446 1.964 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
240 1 30 THR MG 1 55 LYS H 5.190 . 7.690 4.417 3.980 4.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
241 1 30 THR MG 1 55 LYS HA 3.980 . 3.980 2.195 1.793 2.818 0.107 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
242 1 30 THR MG 1 56 CYS H 3.680 . 5.680 3.137 2.598 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
243 1 30 THR H 1 30 THR HB 2.500 . 3.200 2.491 2.283 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
244 1 31 TYR H 1 31 TYR QD 4.860 . 4.860 2.823 2.276 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
245 1 31 TYR HA 1 31 TYR QD 4.050 . 4.050 2.939 2.282 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
246 1 31 TYR HA 1 32 GLY H 2.200 . 2.900 2.215 2.153 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
247 1 31 TYR HA 1 33 ASN H 3.470 . 4.470 4.506 4.186 4.586 0.116 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
248 1 31 TYR QD 1 37 PHE QD 3.580 . 3.580 2.091 1.816 2.863 0.084 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
249 1 31 TYR QD 1 37 PHE QE 4.050 . 4.050 3.418 2.777 4.147 0.097 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
250 1 31 TYR QD 1 37 PHE HA 4.050 . 4.050 2.806 2.249 3.113 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
251 1 31 TYR QD 1 40 ALA MB 5.840 . 5.840 3.427 1.901 4.027 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
252 1 31 TYR HE1 1 48 LEU QD 6.460 . 6.460 3.374 2.048 5.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
253 1 31 TYR HE2 1 40 ALA MB 6.140 . 6.140 2.432 1.842 3.437 0.058 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
254 1 32 GLY H 1 33 ASN H 2.760 2.260 3.260 3.233 2.788 3.431 0.171 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
255 1 32 GLY H 1 36 ASN HD21 4.570 . 4.570 4.637 4.519 4.855 0.285 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
256 1 33 ASN H 1 33 ASN HB3 3.460 . 4.460 3.391 3.126 3.816 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
257 1 33 ASN H 1 33 ASN QD 4.860 . 4.860 4.185 3.080 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
258 1 33 ASN H 1 36 ASN HD21 3.580 . 4.580 2.906 2.359 4.583 0.003 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
259 1 33 ASN HB3 1 34 LYS H 2.420 . 3.120 3.358 3.251 3.400 0.280 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
260 1 33 ASN HB2 1 34 LYS H 3.410 . 4.410 1.822 1.783 1.893 0.117 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
261 1 33 ASN QD 1 34 LYS H 4.300 . 4.300 3.756 3.026 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
262 1 33 ASN QD 1 36 ASN H 4.570 . 4.570 3.947 3.507 4.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
263 1 33 ASN QD 1 36 ASN HD21 4.050 . 4.050 3.379 3.075 4.051 0.001 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
264 1 33 ASN QD 1 36 ASN HD22 4.300 . 4.300 4.064 2.472 4.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
265 1 34 LYS H 1 34 LYS HB2 2.480 . 3.180 3.478 3.276 3.541 0.361 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
266 1 34 LYS H 1 34 LYS HB3 2.460 . 3.160 2.451 2.021 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
267 1 34 LYS H 1 34 LYS QD 3.810 . 4.690 3.773 3.245 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
268 1 34 LYS H 1 35 CYS H 2.830 2.330 3.330 2.837 2.628 3.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
269 1 34 LYS HA 1 37 PHE H 3.580 . 3.580 3.447 3.099 3.657 0.077 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
270 1 34 LYS HA 1 37 PHE QD 4.050 . 4.050 4.011 3.597 4.146 0.096 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
271 1 34 LYS HA 1 38 CYS H 4.050 . 4.050 3.719 3.339 4.160 0.110 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
272 1 35 CYS H 1 35 CYS HB3 2.540 . 3.240 2.561 2.314 3.438 0.198 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
273 1 35 CYS H 1 35 CYS HB2 2.670 . 3.370 2.742 2.076 3.578 0.208 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
274 1 35 CYS H 1 36 ASN H 3.170 . 3.170 2.683 2.434 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
275 1 35 CYS HB2 1 36 ASN H 3.110 . 4.110 3.872 2.409 4.153 0.043 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
276 1 36 ASN H 1 36 ASN HD21 3.090 . 4.090 2.507 1.833 4.103 0.067 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
277 1 36 ASN H 1 36 ASN HD22 3.690 . 5.140 3.885 2.836 4.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
278 1 36 ASN HA 1 36 ASN HD21 3.580 . 3.580 3.541 2.551 3.702 0.122 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
279 1 36 ASN HA 1 36 ASN HD22 4.050 . 4.050 4.022 3.833 4.248 0.198 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
280 1 36 ASN HA 1 39 ASN H 3.230 . 4.230 3.573 3.113 4.235 0.005 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
281 1 36 ASN HA 1 39 ASN HB2 4.300 . 4.300 2.838 2.293 4.405 0.105 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
282 1 36 ASN HA 1 39 ASN HB3 5.160 . 5.160 4.352 3.811 5.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
283 1 36 ASN HA 1 39 ASN HD21 4.300 . 4.300 3.149 2.021 4.347 0.047 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
284 1 37 PHE H 1 38 CYS H 2.580 . 3.080 2.470 2.112 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
285 1 37 PHE HA 1 37 PHE QD 3.370 . 3.370 2.274 1.816 2.710 0.084 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
286 1 37 PHE HA 1 40 ALA MB 4.790 . 4.790 3.045 2.439 3.294 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
287 1 37 PHE HA 1 40 ALA H 3.570 . 4.570 3.743 3.126 4.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
288 1 37 PHE HA 1 41 VAL QG 6.460 . 6.460 4.210 3.831 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
289 1 37 PHE HA 1 48 LEU QD 5.840 . 5.840 3.703 3.113 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
290 1 37 PHE QD 1 40 ALA MB 6.140 . 6.140 3.796 2.363 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
291 1 37 PHE QD 1 48 LEU QD . . 5.030 3.165 2.528 3.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
292 1 37 PHE QD 1 38 CYS H 3.140 . 4.140 3.782 3.318 3.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
293 1 37 PHE QD 1 38 CYS HA 4.300 . 4.300 3.773 3.418 4.071 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
294 1 37 PHE QE 1 48 LEU QD 4.790 . 4.790 2.287 1.689 2.633 0.211 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
295 1 37 PHE QE 1 48 LEU HG 3.810 . 3.810 3.448 2.593 3.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
296 1 37 PHE QE 1 50 LEU QD 5.280 . 5.280 3.028 1.864 3.520 0.036 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
297 1 37 PHE QE 1 50 LEU H 6.300 . 6.300 3.833 2.644 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
298 1 37 PHE QE 1 50 LEU HA 3.810 . 3.810 3.288 2.488 3.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
299 1 37 PHE QE 1 50 LEU HB2 4.050 . 4.050 2.662 1.893 3.973 0.007 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
300 1 37 PHE QE 1 38 CYS HA 4.860 . 4.860 4.866 4.442 5.012 0.152 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
301 1 37 PHE QE 1 41 VAL QG 4.570 . 4.570 2.819 2.327 3.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
302 1 37 PHE HZ 1 41 VAL QG 4.570 . 4.570 3.479 2.671 3.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
303 1 37 PHE HZ 1 48 LEU HG 4.300 . 4.300 3.129 2.476 4.399 0.099 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
304 1 37 PHE HZ 1 49 THR HA 3.580 . 3.580 3.594 3.259 3.722 0.142 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
305 1 37 PHE HZ 1 50 LEU QD 5.030 . 5.030 3.297 2.203 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
306 1 37 PHE HZ 1 50 LEU H 2.730 . 3.230 3.117 2.279 3.444 0.214 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
307 1 37 PHE HZ 1 50 LEU HA 3.580 . 3.580 2.457 1.856 3.303 0.044 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
308 1 37 PHE HZ 1 50 LEU HB2 4.050 . 4.050 2.352 1.954 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
309 1 37 PHE HZ 1 50 LEU HB3 4.570 . 4.570 2.712 1.824 3.756 0.076 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
310 1 38 CYS H 1 38 CYS HB3 3.440 . 4.440 3.181 2.313 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
311 1 38 CYS H 1 38 CYS HB2 2.660 . 3.360 2.479 2.202 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
312 1 38 CYS H 1 39 ASN H 2.580 2.080 3.080 2.637 2.346 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
313 1 38 CYS H 1 41 VAL QG 5.280 . 5.280 4.176 4.046 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
314 1 38 CYS HA 1 40 ALA MB 6.140 . 6.140 4.464 4.115 4.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
315 1 38 CYS HA 1 41 VAL QG . . 4.570 2.256 1.945 2.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
316 1 38 CYS HA 1 41 VAL H 2.940 . 3.640 2.918 2.599 3.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
317 1 38 CYS HA 1 41 VAL HB 3.170 . 3.170 2.371 2.052 2.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
318 1 38 CYS HA 1 42 VAL H 4.050 . 4.050 3.971 3.290 4.233 0.183 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
319 1 38 CYS HB3 1 39 ASN H 6.050 . 7.550 3.112 2.296 3.822 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
320 1 38 CYS HB2 1 39 ASN H 3.860 . 4.860 3.266 2.450 4.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
321 1 39 ASN H 1 39 ASN HB2 2.620 . 3.320 2.462 2.168 3.393 0.073 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
322 1 39 ASN H 1 39 ASN HB3 3.190 . 4.190 3.607 3.407 3.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
323 1 39 ASN H 1 39 ASN HD21 3.600 . 4.600 3.971 2.185 4.603 0.003 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
324 1 39 ASN H 1 39 ASN HD22 3.540 . 4.540 4.323 3.189 4.577 0.037 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
325 1 39 ASN H 1 40 ALA H 2.440 . 2.940 2.702 2.365 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
326 1 39 ASN HA 1 42 VAL QG 4.790 . 4.790 1.837 1.700 2.005 0.200 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
327 1 39 ASN HA 1 42 VAL H 3.440 . 4.440 3.546 2.906 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
328 1 39 ASN HA 1 42 VAL HB 4.300 . 4.300 4.403 4.305 4.502 0.202 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
329 1 39 ASN HB2 1 39 ASN HD21 3.580 . 3.580 2.602 2.257 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
330 1 39 ASN HB2 1 39 ASN HD22 4.050 . 4.050 3.653 3.506 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
331 1 39 ASN HB2 1 40 ALA H 3.340 . 4.340 2.834 2.216 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
332 1 39 ASN HB3 1 39 ASN HD22 3.810 . 3.810 3.750 3.525 4.024 0.214 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
333 1 39 ASN HB3 1 40 ALA H 3.540 . 4.540 3.681 3.080 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
334 1 40 ALA MB 1 41 VAL QG 7.510 . 7.510 3.048 2.848 3.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
335 1 40 ALA MB 1 41 VAL H 3.650 . 5.650 2.542 2.233 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
336 1 40 ALA MB 1 41 VAL HA 6.140 . 6.140 3.808 3.667 3.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
337 1 40 ALA MB 1 43 GLU H 6.030 . 8.530 4.462 4.233 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
338 1 40 ALA MB 1 48 LEU QD 5.190 . 5.190 1.887 1.605 2.566 0.295 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
339 1 40 ALA H 1 41 VAL QG 7.030 . 7.030 3.913 3.583 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
340 1 40 ALA H 1 41 VAL H 2.420 . 2.920 2.472 2.180 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
341 1 40 ALA H 1 42 VAL H 3.090 2.090 4.380 4.000 3.500 4.433 0.053 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
342 1 40 ALA HA 1 43 GLU H 3.180 . 4.180 3.305 2.931 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
343 1 40 ALA HA 1 44 SER H 4.570 . 4.570 4.447 3.912 4.659 0.089 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
344 1 41 VAL H 1 41 VAL QG . . 5.340 2.169 1.834 2.581 0.066 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
345 1 41 VAL QG 1 42 VAL QG . . 6.880 3.378 2.802 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
346 1 41 VAL QG 1 42 VAL H 4.150 . 6.650 3.166 2.742 3.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
347 1 41 VAL QG 1 42 VAL HA 5.030 . 5.030 3.436 3.068 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
348 1 41 VAL QG 1 46 GLY H 4.860 . 7.360 3.421 2.968 3.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
349 1 41 VAL QG 1 47 THR H 5.840 . 5.840 4.288 3.721 4.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
350 1 41 VAL QG 1 48 LEU H 5.410 . 7.280 3.625 3.074 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
351 1 41 VAL QG 1 49 THR HA . . 5.550 3.492 2.492 4.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
352 1 41 VAL QG 1 48 LEU QD . . 5.600 2.013 1.604 2.588 0.296 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
353 1 41 VAL QG 1 48 LEU HB2 5.840 . 5.840 4.106 3.661 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
354 1 41 VAL QG 1 48 LEU HB3 5.280 . 5.280 2.924 2.384 3.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
355 1 41 VAL QG 1 48 LEU HG 5.030 . 5.030 3.027 2.316 3.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
356 1 41 VAL H 1 41 VAL HB 2.460 . 3.160 2.482 2.302 2.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
357 1 41 VAL H 1 42 VAL QG 5.550 . 5.550 3.544 3.280 3.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
358 1 41 VAL H 1 42 VAL H 2.530 2.030 3.030 2.678 2.298 3.031 0.001 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
359 1 41 VAL H 1 43 GLU H 4.570 . 4.570 3.959 3.620 4.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
360 1 41 VAL H 1 48 LEU QD 3.980 . 5.980 2.947 2.487 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
361 1 41 VAL HA 1 44 SER H 3.680 . 4.680 3.792 3.456 4.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
362 1 41 VAL HA 1 44 SER HB3 4.570 . 4.570 3.770 2.732 4.584 0.014 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
363 1 41 VAL HA 1 48 LEU QD 4.570 . 4.570 2.754 1.946 3.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
364 1 41 VAL HA 1 48 LEU H 3.690 . 4.690 3.467 2.962 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
365 1 41 VAL HA 1 48 LEU HB2 4.050 . 4.050 3.948 3.598 4.115 0.065 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
366 1 41 VAL HA 1 48 LEU HB3 3.170 . 3.170 2.456 1.975 2.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
367 1 41 VAL HA 1 48 LEU HG 4.860 . 4.860 4.266 3.490 4.922 0.062 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
368 1 42 VAL H 1 42 VAL QG 3.980 . 3.980 1.881 1.716 2.205 0.184 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
369 1 42 VAL QG 1 43 GLU H 4.570 . 4.570 2.117 1.817 2.615 0.083 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
370 1 42 VAL H 1 43 GLU H 2.620 2.120 3.120 2.482 2.236 2.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
371 1 42 VAL HA 1 44 SER H 4.300 . 4.300 3.738 3.487 4.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
372 1 42 VAL HA 1 45 ASN H 3.710 . 4.710 4.030 3.279 4.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
373 1 42 VAL HA 1 46 GLY H 3.550 . 4.550 3.903 2.811 4.572 0.022 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
374 1 43 GLU H 1 43 GLU QG 2.800 . 4.380 3.228 1.658 4.076 0.242 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
375 1 43 GLU H 1 44 SER H 2.330 . 2.830 2.412 2.084 2.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
376 1 43 GLU H 1 44 SER HA 4.110 . 5.610 5.005 4.853 5.122 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
377 1 43 GLU H 1 45 ASN H 4.570 . 4.570 4.306 3.582 4.608 0.038 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
378 1 43 GLU HA 1 43 GLU QG 4.050 . 4.930 2.436 1.925 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
379 1 43 GLU HA 1 45 ASN H 3.480 . 4.480 3.791 3.581 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
380 1 43 GLU QG 1 44 SER H 4.750 . 7.130 3.868 2.106 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
381 1 44 SER H 1 44 SER HB3 3.810 . 3.810 2.818 2.365 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
382 1 44 SER H 1 44 SER HB2 4.050 . 4.050 3.582 2.768 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
383 1 44 SER H 1 45 ASN H 2.530 . 3.030 2.343 1.887 3.047 0.017 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
384 1 44 SER H 1 48 LEU QD 5.070 . 7.570 5.069 4.394 5.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
385 1 44 SER HB3 1 48 LEU QD 5.840 . 5.840 3.883 3.461 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
386 1 44 SER HB3 1 48 LEU H 3.680 . 4.680 3.929 2.375 4.711 0.031 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
387 1 44 SER HB3 1 48 LEU HB2 4.300 . 4.300 3.497 2.799 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
388 1 44 SER HB3 1 48 LEU HB3 4.300 . 4.300 3.584 2.452 4.327 0.027 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
389 1 44 SER HB2 1 48 LEU QD 6.140 . 6.140 4.280 3.461 4.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
390 1 44 SER HB2 1 48 LEU HB2 3.810 . 3.810 3.597 2.896 3.872 0.062 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
391 1 44 SER HB2 1 48 LEU HB3 4.300 . 4.300 4.014 3.314 4.324 0.024 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
392 1 45 ASN H 1 45 ASN HA 2.240 . 2.940 2.348 2.314 2.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
393 1 45 ASN H 1 46 GLY H 2.830 . 3.330 2.630 2.467 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
394 1 45 ASN H 1 47 THR H 4.570 . 4.570 4.321 4.103 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
395 1 45 ASN HA 1 46 GLY H 2.630 . 3.330 3.098 2.684 3.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
396 1 45 ASN HA 1 47 THR H 4.570 . 4.570 4.545 4.246 4.674 0.104 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
397 1 46 GLY H 1 47 THR MG 5.680 . 8.180 3.993 3.366 5.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
398 1 46 GLY H 1 47 THR H 2.450 . 2.950 2.532 2.133 3.019 0.069 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
399 1 46 GLY H 1 48 LEU H 3.530 . 4.530 3.812 3.305 4.533 0.003 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
400 1 47 THR H 1 47 THR MG 4.160 . 4.160 2.264 1.839 3.673 0.061 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
401 1 47 THR MG 1 48 LEU H 4.790 . 4.790 3.369 2.159 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
402 1 47 THR H 1 48 LEU H 3.370 . 3.370 2.323 1.885 2.561 0.015 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
403 1 47 THR H 1 48 LEU HB3 4.570 . 4.570 4.151 3.619 4.442 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
404 1 47 THR HA 1 49 THR MG 5.280 . 5.280 3.801 3.011 4.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
405 1 48 LEU H 1 48 LEU QD 5.030 . 5.030 3.655 3.289 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
406 1 48 LEU HA 1 48 LEU QD 4.160 . 4.160 2.399 1.955 3.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
407 1 48 LEU QD 1 49 THR H 4.360 . 4.360 2.857 1.918 3.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
408 1 48 LEU H 1 48 LEU HB2 3.810 . 3.810 2.989 2.844 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
409 1 48 LEU H 1 48 LEU HB3 2.640 . 3.340 2.163 2.044 2.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
410 1 48 LEU H 1 48 LEU HG 4.050 . 4.050 4.074 3.340 4.266 0.216 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
411 1 48 LEU HA 1 48 LEU HG 3.810 . 3.810 3.253 2.657 3.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
412 1 48 LEU HA 1 49 THR H 3.370 . 3.370 2.933 2.161 3.528 0.158 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
413 1 48 LEU HB2 1 49 THR H 4.300 . 4.300 3.818 3.402 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
414 1 48 LEU HG 1 49 THR H 3.580 . 3.580 2.446 1.872 3.384 0.028 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
415 1 49 THR HA 1 49 THR MG 3.980 . 3.980 2.499 1.910 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
416 1 49 THR MG 1 50 LEU H 4.430 . 6.930 3.921 2.809 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
417 1 49 THR H 1 49 THR HB 3.810 . 3.810 3.904 3.681 4.099 0.289 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
418 1 49 THR HA 1 49 THR HB 2.810 . 2.810 2.397 2.252 2.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
419 1 49 THR HA 1 50 LEU H 2.350 . 3.050 2.452 2.179 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
420 1 49 THR HB 1 50 LEU H 2.290 . 2.990 2.771 2.127 3.158 0.168 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
421 1 50 LEU H 1 50 LEU QD . . 4.790 3.070 1.680 3.721 0.220 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
422 1 50 LEU HA 1 50 LEU QD 4.360 . 4.360 2.990 2.162 3.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
423 1 50 LEU QD 1 51 SER H 3.870 . 5.550 2.536 1.830 3.288 0.070 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
424 1 50 LEU QD 1 52 HIS H 4.100 . 6.600 2.233 1.794 3.126 0.106 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
425 1 50 LEU QD 1 52 HIS HA . . 5.550 2.989 2.284 3.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
426 1 50 LEU QD 1 53 PHE HA 5.550 . 5.550 2.524 1.792 3.766 0.108 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
427 1 50 LEU QD 1 53 PHE QD . . 5.280 2.787 2.209 3.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
428 1 50 LEU QD 1 53 PHE QE . . 5.030 2.491 1.839 3.164 0.061 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
429 1 50 LEU QD 1 53 PHE H 5.280 . 5.280 3.114 2.521 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
430 1 50 LEU H 1 50 LEU HB2 2.880 . 3.580 3.339 2.661 3.794 0.214 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
431 1 50 LEU H 1 51 SER H 4.570 . 4.570 4.520 4.420 4.662 0.092 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
432 1 50 LEU HA 1 50 LEU HG 4.050 . 4.050 3.213 2.522 4.213 0.163 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
433 1 50 LEU HA 1 51 SER H 2.200 . 2.900 2.465 2.189 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
434 1 50 LEU HG 1 51 SER H 3.350 . 4.350 2.256 1.813 4.494 0.144 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
435 1 50 LEU HG 1 52 HIS H 3.090 . 4.090 2.366 1.849 3.381 0.051 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
436 1 50 LEU HG 1 52 HIS HA 4.300 . 4.300 3.646 2.997 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
437 1 50 LEU HG 1 53 PHE H 4.860 . 4.860 4.754 4.170 4.982 0.122 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
438 1 51 SER H 1 52 HIS H 2.310 . 2.810 2.003 1.815 2.582 0.085 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
439 1 52 HIS HA 1 52 HIS HD2 4.300 . 4.300 4.160 3.795 4.459 0.159 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
440 1 52 HIS HA 1 53 PHE H 2.380 . 3.080 2.283 2.190 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
441 1 52 HIS HB3 1 52 HIS HD2 3.580 . 3.580 3.198 2.843 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
442 1 52 HIS HB3 1 53 PHE H 5.810 . 5.810 4.153 3.716 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
443 1 52 HIS HB2 1 52 HIS HD2 4.050 . 4.050 3.978 3.851 4.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
444 1 52 HIS HB2 1 53 PHE H 3.580 . 3.580 3.018 2.543 3.328 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
445 1 52 HIS HE1 1 55 LYS H 4.570 . 4.570 4.336 3.230 4.632 0.062 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
446 1 52 HIS HE1 1 55 LYS HA 4.860 . 4.860 4.614 3.577 4.957 0.097 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
447 1 52 HIS HE1 1 56 CYS H 4.570 . 4.570 4.008 3.232 4.577 0.007 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
448 1 52 HIS HE1 1 56 CYS HA 3.170 . 3.170 2.320 1.831 3.207 0.069 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
449 1 53 PHE H 1 53 PHE HB2 2.520 . 3.220 2.383 2.289 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
450 1 53 PHE H 1 53 PHE HB3 3.580 . 3.580 3.607 3.579 3.632 0.052 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
451 1 53 PHE H 1 53 PHE QD 2.940 . 3.440 1.972 1.870 2.267 0.030 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
452 1 53 PHE H 1 53 PHE QE 4.300 . 4.300 4.213 3.886 4.382 0.082 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
453 1 53 PHE H 1 54 GLY H 6.570 . 6.570 4.435 4.288 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
454 1 53 PHE HA 1 53 PHE QD 4.050 . 4.050 3.011 2.528 3.100 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
455 1 53 PHE HA 1 54 GLY H 2.110 . 2.810 2.221 2.132 2.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
456 1 53 PHE HB2 1 54 GLY H 4.150 . 5.650 4.323 3.393 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
457 1 53 PHE HB3 1 54 GLY H 2.860 . 3.560 3.488 1.902 3.740 0.180 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
458 1 53 PHE QD 1 54 GLY H 6.050 . 6.050 4.403 3.545 4.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
459 1 54 GLY H 1 55 LYS H 3.080 . 4.080 4.353 4.321 4.460 0.380 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
460 1 55 LYS HA 1 56 CYS H 2.270 . 2.970 2.246 2.163 2.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
461 1 56 CYS H 1 56 CYS HB2 3.810 . 3.810 2.401 2.087 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 150
_Distance_constraint_stats_list.Viol_total 4869.368
_Distance_constraint_stats_list.Viol_max 1.235
_Distance_constraint_stats_list.Viol_rms 0.1552
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6492
_Distance_constraint_stats_list.Viol_average_violations_only 0.6492
_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 23 LEU 29.170 1.235 32 30 "[** * * * ** * * *-****.* ***+ *.* **4*** . ***]"
1 34 LYS 34.125 0.873 45 50 [******************************-*************+*****]
1 37 PHE 97.387 1.235 32 50 [******************************-+******************]
1 38 CYS 34.093 0.873 1 44 "[+***.****************** ***-*3 ********** ***** **]"
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 23 LEU QD 1 37 PHE QB . . 1.160 1.743 1.550 2.395 1.235 32 30 "[** * * * ** * * *-****.* ***+ *.* **4*** . ***]" 7
2 1 34 LYS HA 1 37 PHE QB 1.900 . 1.940 2.622 2.441 2.813 0.873 45 50 [******************************-*************+*****] 7
3 1 37 PHE QB 1 38 CYS H . . 1.810 2.492 2.072 2.683 0.873 1 44 "[+***.****************** ***-*3 ********** ***** **]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 236
_Distance_constraint_stats_list.Viol_total 627.898
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0532
_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 7 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 GLU 0.576 0.103 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 GLU 0.175 0.107 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 LEU 4.697 0.193 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 CYS 3.334 0.142 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 GLY 0.080 0.031 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 SER 1.106 0.138 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASP 0.001 0.001 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 LYS 0.080 0.031 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 TYR 4.697 0.193 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ASN 0.020 0.020 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 CYS 0.267 0.059 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 PHE 1.524 0.082 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 ASN 0.777 0.064 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 VAL 1.504 0.082 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLU 0.510 0.064 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 SER 0.287 0.086 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 LEU 0.287 0.086 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 THR 1.106 0.138 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 HIS 3.334 0.142 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 7 ASP OD1 1 9 SER H 2.000 . 3.380 2.542 2.086 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
2 1 7 ASP OD1 1 9 SER N 3.000 2.500 4.380 3.352 2.935 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
3 1 10 GLU H 1 10 GLU OE1 2.000 . 3.380 2.641 2.141 3.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
4 1 10 GLU N 1 10 GLU OE1 3.000 2.500 4.380 2.766 2.397 3.287 0.103 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
5 1 19 GLU H 1 19 GLU OE1 2.000 . 3.380 2.581 2.069 3.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
6 1 19 GLU N 1 19 GLU OE1 3.000 2.500 4.380 3.209 2.393 3.762 0.107 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
7 1 23 LEU H 1 31 TYR O 2.000 . 2.300 2.373 2.281 2.493 0.193 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
8 1 23 LEU N 1 31 TYR O 3.000 2.500 3.300 3.198 3.095 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
9 1 24 CYS H 1 52 HIS O 2.000 . 2.300 2.353 2.094 2.442 0.142 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
10 1 24 CYS N 1 52 HIS O 3.000 2.500 3.300 3.232 2.902 3.360 0.060 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
11 1 25 GLY H 1 29 LYS O 2.000 . 2.300 2.130 2.008 2.331 0.031 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
12 1 25 GLY N 1 29 LYS O 3.000 2.500 3.300 3.029 2.844 3.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
13 1 26 SER H 1 49 THR O 2.000 . 2.300 2.041 1.871 2.438 0.138 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
14 1 26 SER N 1 49 THR O 3.000 2.500 3.300 2.659 2.413 3.403 0.103 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
15 1 27 ASP H 1 27 ASP OD1 2.000 . 3.380 2.349 2.022 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
16 1 27 ASP N 1 27 ASP OD1 3.000 2.500 4.380 2.843 2.499 3.210 0.001 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
17 1 27 ASP OD1 1 29 LYS H 2.000 . 3.380 2.773 2.087 3.181 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
18 1 27 ASP OD1 1 29 LYS N 3.000 2.500 4.380 3.163 2.696 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
19 1 23 LEU O 1 31 TYR H 2.000 . 2.300 2.273 2.055 2.382 0.082 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
20 1 23 LEU O 1 31 TYR N 3.000 2.500 3.300 3.147 2.927 3.338 0.038 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
21 1 33 ASN O 1 37 PHE H 2.000 . 2.300 2.063 1.966 2.320 0.020 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
22 1 33 ASN O 1 37 PHE N 3.000 2.500 3.300 2.958 2.755 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
23 1 34 LYS O 1 38 CYS H 2.000 . 2.300 2.013 1.901 2.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
24 1 34 LYS O 1 38 CYS N 3.000 2.500 3.300 2.860 2.692 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
25 1 35 CYS O 1 39 ASN H 2.000 . 2.300 2.135 1.974 2.359 0.059 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
26 1 35 CYS O 1 39 ASN N 3.000 2.500 3.300 2.999 2.742 3.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
27 1 37 PHE O 1 41 VAL H 2.000 . 2.300 2.310 2.121 2.382 0.082 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
28 1 37 PHE O 1 41 VAL N 3.000 2.500 3.300 3.183 2.922 3.307 0.007 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
29 1 38 CYS O 1 42 VAL H 2.000 . 2.300 1.992 1.852 2.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
30 1 38 CYS O 1 42 VAL N 3.000 2.500 3.300 2.861 2.702 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
31 1 39 ASN O 1 43 GLU H 2.000 . 2.300 2.208 2.005 2.364 0.064 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
32 1 39 ASN O 1 43 GLU N 3.000 2.500 3.300 2.972 2.715 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
33 1 44 SER OG 1 48 LEU H 2.000 . 3.380 2.880 2.100 3.466 0.086 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
34 1 44 SER OG 1 48 LEU N 3.000 2.500 4.380 3.488 2.881 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
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