NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
390477 |
1omt   |
42 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1omt
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 5
_Distance_constraint_stats_list.Viol_count 250
_Distance_constraint_stats_list.Viol_total 21152.574
_Distance_constraint_stats_list.Viol_max 2.591
_Distance_constraint_stats_list.Viol_rms 0.7001
_Distance_constraint_stats_list.Viol_average_all_restraints 1.6922
_Distance_constraint_stats_list.Viol_average_violations_only 1.6922
_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 99.053 2.331 20 50 [*******************+*********-********************]
1 22 PRO 121.207 2.475 38 50 [*************************************+**********-*]
1 29 LYS 98.743 2.591 26 50 [************-************+************************]
1 30 THR 98.743 2.591 26 50 [************-************+************************]
1 42 VAL 99.053 2.331 20 50 [*******************+*********-********************]
1 54 GLY 155.923 2.475 38 50 [*************************************+***-********]
1 55 LYS 104.049 1.912 43 50 [*****************************************-+*******]
1 56 CYS 69.333 1.912 43 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 QB 1 30 THR H . . 1.250 3.225 1.960 3.841 2.591 26 50 [************-************+************************] 1
2 1 55 LYS QB 1 56 CYS H . . 1.500 2.887 2.183 3.412 1.912 43 50 [**************************************-***+*******] 1
3 1 12 PRO QD 1 42 VAL QG . . 0.640 2.621 1.992 2.971 2.331 20 50 [*******************+*********-********************] 1
4 1 22 PRO QB 1 54 GLY QA . . 0.880 3.304 3.264 3.355 2.475 38 50 [*************************************+**********-*] 1
5 1 54 GLY QA 1 55 LYS H . . 1.600 2.294 2.261 2.343 0.743 12 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 300
_Distance_constraint_stats_list.Viol_total 19848.633
_Distance_constraint_stats_list.Viol_max 2.901
_Distance_constraint_stats_list.Viol_rms 0.7911
_Distance_constraint_stats_list.Viol_average_all_restraints 1.3232
_Distance_constraint_stats_list.Viol_average_violations_only 1.3232
_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 59.048 1.059 45 41 "[* *.-********* ** ************** ******** *+*** 5]"
1 14 PRO 107.539 1.059 45 50 [*****-**************************************+*****]
1 15 ALA 48.491 1.052 47 50 [**********************-***********************+***]
1 20 TYR 157.437 2.211 11 50 [**********+********************************-******]
1 26 SER 131.997 2.901 18 50 [*****************+***********************-********]
1 32 GLY 157.437 2.211 11 50 [**********+********************************-******]
1 49 THR 131.997 2.901 18 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 3.770 2.923 4.031 2.901 18 50 [*****************+***********************-********] 2
2 1 13 LYS HA 1 14 PRO QD . . 1.420 1.852 1.825 2.054 0.634 47 1 "[ . 1 . 2 . 3 . 4 . + 5]" 2
3 1 13 LYS QB 1 14 PRO QD 1.900 . 1.990 2.739 1.995 3.049 1.059 45 40 "[* *.-********* ** ************** ******** *+* * 5]" 2
4 1 14 PRO QD 1 15 ALA H 1.900 . 1.990 2.960 2.904 3.042 1.052 47 50 [**********************-***********************+***] 2
5 1 20 TYR QD 1 32 GLY QA . . 1.500 3.576 3.077 3.711 2.211 11 50 [****-*****+***************************************] 2
6 1 20 TYR QE 1 32 GLY QA . . 0.840 1.913 1.857 2.025 1.185 11 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 3926.261
_Distance_constraint_stats_list.Viol_max 1.881
_Distance_constraint_stats_list.Viol_rms 0.5312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7853
_Distance_constraint_stats_list.Viol_average_violations_only 0.7853
_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 51.250 1.399 39 50 [****************-*********************+***********]
1 46 GLY 51.250 1.399 39 50 [****************-*********************+***********]
1 55 LYS 27.275 1.881 21 15 "[ ** * * . *+-**. *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 55 LYS H 1 55 LYS QG . . 1.730 2.275 1.763 3.611 1.881 21 15 "[ ** * * . *+-**. *3* . **4 ** . 5]" 3
2 1 41 VAL QG 1 46 GLY QA . . 0.840 1.865 1.678 2.239 1.399 39 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 294
_Distance_constraint_stats_list.Viol_total 12676.167
_Distance_constraint_stats_list.Viol_max 2.919
_Distance_constraint_stats_list.Viol_rms 0.6099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8451
_Distance_constraint_stats_list.Viol_average_violations_only 0.8623
_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 95.545 1.723 2 50 [*+******************************************-*****]
1 37 PHE 23.698 1.484 17 18 "[ *** *1** * + ** . 3 - * **4* . ***5]"
1 45 ASN 75.708 2.919 50 45 "[** ***** ******************* ****-*** ********** +]"
1 47 THR 75.708 2.919 50 45 "[** ***** ******************* ****-*** ********** +]"
1 48 LEU 53.647 1.723 2 50 [*+*********************-**************************]
1 50 LEU 18.200 1.046 12 13 "[ *. *1 + * * 2* .* 3 * . *4 - * **]"
1 51 SER 82.270 1.429 39 50 [***********************-**************+***********]
1 52 HIS 82.270 1.429 39 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 2.914 1.855 4.319 2.919 50 45 "[** ***** ******************* ****-*** ********** +]" 4
2 1 51 SER QB 1 52 HIS H . . 1.730 2.915 2.517 3.159 1.429 39 50 [**********-***************************+***********] 4
3 1 51 SER QB 1 52 HIS HD2 1.900 . 1.970 2.430 2.027 3.063 1.093 9 21 "[ * ** *+1 * . * ** -. ** * * **4 .*****]" 4
4 1 25 GLY QA 1 37 PHE QE . . 1.730 2.204 1.811 3.214 1.484 17 18 "[ *** *1** * + ** . 3 - * **4* . ***5]" 4
5 1 25 GLY QA 1 48 LEU QD . . 0.940 2.013 1.564 2.663 1.723 2 50 [*+*********************-**************************] 4
6 1 25 GLY QA 1 50 LEU HA 1.900 . 1.990 2.344 1.881 3.036 1.046 12 13 "[ *. *1 + * * 2* .* 3 * . *4 - * **]" 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 249
_Distance_constraint_stats_list.Viol_total 23925.766
_Distance_constraint_stats_list.Viol_max 3.258
_Distance_constraint_stats_list.Viol_rms 0.7126
_Distance_constraint_stats_list.Viol_average_all_restraints 1.9141
_Distance_constraint_stats_list.Viol_average_violations_only 1.9217
_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 234.581 3.258 10 50 [*****-***+****************************************]
1 20 TYR 129.231 3.017 25 50 [************************+****-********************]
1 21 ARG 105.349 3.258 10 50 [*****-***+****************************************]
1 29 LYS 64.187 2.153 21 31 "[*** ** * 1* -.*** *+* ***** * ** * ***4*** ** 5]"
1 40 ALA 93.029 2.317 4 50 [***+************************-*********************]
1 43 GLU 179.748 2.317 4 50 [***+************************-*********************]
1 44 SER 86.719 1.964 8 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 3.121 2.698 3.577 2.317 4 50 [***+************************-*********************] 5
2 1 43 GLU QB 1 44 SER H . . 1.500 3.234 2.997 3.464 1.964 8 50 [*******+*****************************************-] 5
3 1 19 GLU QG 1 20 TYR H . . 1.110 3.695 2.497 4.127 3.017 25 50 [************************+****-********************] 5
4 1 19 GLU QG 1 21 ARG QG . . 1.110 3.217 1.931 4.368 3.258 10 50 [*****-***+****************************************] 5
5 1 29 LYS H 1 29 LYS QG 1.900 . 1.920 3.202 1.844 4.073 2.153 21 31 "[*** ** * 1* -.*** *+* ***** * ** * ***4*** ** 5]" 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 462
_Distance_constraint_stats_list.Viol_count 2863
_Distance_constraint_stats_list.Viol_total 12014.425
_Distance_constraint_stats_list.Viol_max 0.384
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0839
_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 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 3 ALA 0.062 0.029 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 VAL 2.359 0.279 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 SER 1.218 0.239 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 VAL 3.219 0.266 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 ASP 1.580 0.183 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 CYS 5.153 0.155 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 SER 2.109 0.144 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 GLU 2.052 0.144 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 TYR 32.666 0.384 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 PRO 23.283 0.384 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 LYS 0.266 0.045 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 ALA 0.163 0.054 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 CYS 5.605 0.206 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 THR 3.416 0.366 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 LEU 6.485 0.366 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 GLU 12.635 0.331 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 TYR 23.839 0.331 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 ARG 10.500 0.321 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 22 PRO 0.590 0.057 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 LEU 15.140 0.266 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 CYS 1.770 0.163 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 GLY 2.258 0.141 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 SER 10.062 0.337 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASP 0.029 0.029 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 ASN 1.967 0.141 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 LYS 0.040 0.040 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 THR 1.350 0.148 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 TYR 4.621 0.148 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 GLY 5.775 0.292 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ASN 7.544 0.103 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 LYS 16.902 0.254 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 CYS 11.489 0.371 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 ASN 13.231 0.292 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 PHE 9.711 0.307 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 CYS 5.353 0.172 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 ASN 23.828 0.264 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 ALA 5.643 0.340 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 VAL 11.609 0.361 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 VAL 25.214 0.219 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLU 7.773 0.253 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 SER 4.919 0.136 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 ASN 2.317 0.119 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 GLY 1.575 0.124 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 THR 0.793 0.119 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 LEU 29.872 0.361 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 THR 23.481 0.337 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 LEU 16.320 0.279 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 SER 3.603 0.095 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 HIS 12.554 0.218 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 PHE 10.295 0.218 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 GLY 3.895 0.084 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 LYS 6.813 0.158 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 CYS 0.571 0.062 30 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 2.495 2.191 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
2 1 3 ALA MB 1 4 VAL H 4.360 . 4.360 2.896 1.873 3.726 0.027 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
3 1 3 ALA MB 1 5 SER H 5.550 . 5.550 3.904 2.660 4.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
4 1 3 ALA HA 1 4 VAL H 2.810 . 2.810 2.432 2.190 2.839 0.029 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
5 1 4 VAL H 1 4 VAL QG 4.160 . 5.700 2.201 1.790 3.047 0.110 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
6 1 4 VAL QG 1 5 SER H 4.790 . 6.110 3.476 2.756 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
7 1 4 VAL QG 1 50 LEU QD 6.590 . 8.130 2.657 1.621 4.012 0.279 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
8 1 4 VAL QG 1 52 HIS HA 5.030 . 6.570 3.262 1.756 4.874 0.144 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
9 1 4 VAL QG 1 53 PHE H 5.550 . 7.090 4.120 2.424 5.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
10 1 4 VAL QG 1 5 SER HA 5.840 . 7.380 3.963 3.243 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
11 1 4 VAL QG 1 53 PHE QD 6.140 . 7.680 3.297 1.928 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
12 1 4 VAL HA 1 5 SER H 2.490 . 2.490 2.372 2.193 2.729 0.239 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
13 1 4 VAL HB 1 50 LEU QD 5.840 . 5.840 3.577 1.823 4.788 0.077 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
14 1 4 VAL HB 1 53 PHE QE 5.160 . 5.160 3.811 1.870 5.094 0.030 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
15 1 5 SER H 1 53 PHE QE 4.300 . 4.300 3.584 1.978 4.408 0.108 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
16 1 5 SER HA 1 6 VAL QG 5.840 . 7.380 3.669 3.173 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
17 1 5 SER HA 1 6 VAL H 2.810 . 2.810 2.363 2.190 2.862 0.052 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
18 1 5 SER HA 1 50 LEU QD 5.280 . 5.280 2.744 1.788 4.481 0.112 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
19 1 5 SER QB 1 6 VAL QG 6.140 . 8.560 4.350 2.830 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
20 1 5 SER QB 1 50 LEU QD 6.140 . 7.020 3.835 2.230 5.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
21 1 6 VAL H 1 6 VAL QG 4.160 . 5.700 2.507 1.860 3.112 0.040 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
22 1 6 VAL QG 1 7 ASP H 4.790 . 6.110 2.175 1.760 3.695 0.140 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
23 1 6 VAL QG 1 23 LEU QD 7.180 . 8.130 2.216 1.634 3.002 0.266 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
24 1 6 VAL QG 1 34 LYS HE2 6.140 . 7.380 5.102 4.301 5.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
25 1 6 VAL QG 1 37 PHE QD 5.030 . 6.330 2.602 1.737 3.543 0.163 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
26 1 6 VAL QG 1 37 PHE QE 5.030 . 6.570 2.918 1.716 4.202 0.184 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
27 1 6 VAL QG 1 50 LEU QD 6.590 . 7.370 2.888 1.795 3.889 0.105 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
28 1 6 VAL QG 1 53 PHE QE 5.030 . 6.570 2.974 1.885 4.325 0.015 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
29 1 6 VAL H 1 50 LEU QD 5.280 . 5.280 3.424 2.561 4.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
30 1 6 VAL HA 1 7 ASP H 2.640 . 2.640 2.341 2.193 2.798 0.158 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
31 1 6 VAL HA 1 50 LEU QD 6.460 . 6.460 4.967 4.356 5.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
32 1 6 VAL HB 1 7 ASP H 4.050 . 4.050 3.959 3.582 4.233 0.183 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
33 1 6 VAL HB 1 37 PHE QD 4.860 . 4.860 3.116 2.104 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
34 1 6 VAL HB 1 37 PHE QE 4.050 . 4.050 3.148 2.029 4.084 0.034 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
35 1 6 VAL HB 1 50 LEU QD 6.140 . 6.140 4.047 3.060 4.811 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
36 1 7 ASP H 1 7 ASP HB3 3.580 . 3.580 2.629 2.316 3.633 0.053 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
37 1 7 ASP H 1 7 ASP HB2 3.580 . 3.580 2.784 2.209 3.663 0.083 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
38 1 8 CYS H 1 8 CYS HB2 3.810 . 3.810 2.796 2.245 3.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
39 1 8 CYS H 1 8 CYS HB3 3.810 . 3.810 3.713 3.012 3.922 0.112 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
40 1 8 CYS H 1 9 SER H 3.810 . 3.810 2.794 1.879 3.609 0.021 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
41 1 8 CYS HA 1 10 GLU H 4.300 . 4.300 3.243 3.013 3.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
42 1 8 CYS HA 1 11 TYR H 4.570 . 4.570 4.114 3.196 4.616 0.046 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
43 1 8 CYS HA 1 11 TYR QD 3.170 . 3.170 2.005 1.791 2.452 0.109 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
44 1 8 CYS HA 1 38 CYS HB3 4.300 . 4.300 3.684 2.691 4.397 0.097 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
45 1 8 CYS HA 1 38 CYS HB2 5.160 . 5.160 4.229 2.825 5.224 0.064 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
46 1 8 CYS HB2 1 9 SER H 4.570 . 4.570 4.327 4.015 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
47 1 8 CYS HB2 1 11 TYR QD 4.570 . 4.570 4.046 3.217 4.725 0.155 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
48 1 8 CYS HB2 1 41 VAL QG 5.550 . 5.550 2.702 1.864 3.605 0.036 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
49 1 8 CYS HB2 1 42 VAL QG 6.140 . 6.140 3.862 2.946 4.770 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
50 1 8 CYS HB3 1 11 TYR QD 4.860 . 4.860 3.061 1.977 4.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
51 1 8 CYS HB3 1 38 CYS HB2 4.860 . 4.860 4.066 3.487 4.990 0.130 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
52 1 8 CYS HB3 1 41 VAL QG 6.140 . 6.140 3.393 2.587 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
53 1 8 CYS HB3 1 42 VAL QG 6.140 . 6.140 3.199 2.494 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
54 1 9 SER H 1 9 SER HB3 3.580 . 3.580 2.940 2.184 3.609 0.029 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
55 1 9 SER H 1 9 SER HB2 3.810 . 3.810 2.591 2.146 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
56 1 9 SER H 1 10 GLU QG 4.860 . 5.740 4.158 3.194 5.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
57 1 9 SER H 1 11 TYR H 4.860 . 4.860 4.320 3.471 4.903 0.043 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
58 1 9 SER H 1 11 TYR QD 4.570 . 4.570 3.610 3.268 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
59 1 9 SER HA 1 10 GLU H 3.370 . 3.370 3.370 3.158 3.514 0.144 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
60 1 9 SER HA 1 11 TYR H 4.570 . 4.570 3.799 3.391 4.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
61 1 9 SER HB3 1 10 GLU H 4.050 . 4.050 3.605 2.837 4.085 0.035 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
62 1 9 SER HB2 1 10 GLU H 4.570 . 4.570 3.901 2.823 4.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
63 1 10 GLU H 1 10 GLU QG 3.370 . 4.250 2.772 1.849 3.796 0.051 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
64 1 10 GLU H 1 11 TYR H 3.580 . 3.580 2.569 1.863 3.159 0.037 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
65 1 10 GLU H 1 11 TYR QD 3.580 . 3.580 2.632 2.222 3.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
66 1 10 GLU QG 1 11 TYR H 4.860 . 5.740 4.160 2.244 4.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
67 1 11 TYR H 1 11 TYR QD 3.370 . 3.370 2.641 1.939 3.381 0.011 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
68 1 11 TYR H 1 12 PRO HA 4.300 . 4.300 4.579 4.462 4.684 0.384 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
69 1 11 TYR H 1 42 VAL QG 5.280 . 5.280 3.375 2.650 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
70 1 11 TYR HA 1 11 TYR QD 3.810 . 3.810 2.843 2.553 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
71 1 11 TYR HA 1 12 PRO HA 3.370 . 3.370 2.318 2.174 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
72 1 11 TYR HA 1 13 LYS H 4.050 . 4.050 3.140 2.488 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
73 1 11 TYR HB2 1 12 PRO HA 3.580 . 3.580 3.380 3.297 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
74 1 11 TYR HB2 1 42 VAL QG 5.280 . 5.280 2.017 1.746 2.530 0.154 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
75 1 11 TYR HB3 1 11 TYR QD 3.370 . 3.370 2.438 2.343 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
76 1 11 TYR HB3 1 12 PRO HA 3.170 . 3.170 1.810 1.757 2.036 0.143 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
77 1 11 TYR HB3 1 13 LYS H 4.300 . 4.300 3.747 3.291 4.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
78 1 11 TYR HB3 1 42 VAL QG 5.030 . 5.030 1.887 1.684 2.582 0.216 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
79 1 11 TYR QD 1 12 PRO HA 3.370 . 3.370 2.409 1.861 3.161 0.039 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
80 1 11 TYR QD 1 13 LYS H 3.580 . 3.580 2.405 1.875 3.281 0.025 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
81 1 11 TYR QD 1 39 ASN H 4.300 . 4.300 3.697 2.755 4.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
82 1 11 TYR QD 1 39 ASN HA 4.570 . 4.570 3.672 2.551 4.212 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
83 1 11 TYR QD 1 38 CYS HB3 3.810 . 3.810 2.958 2.536 3.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
84 1 11 TYR QD 1 38 CYS HB2 4.300 . 4.300 3.460 2.770 4.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
85 1 11 TYR QD 1 42 VAL QG 6.140 . 6.140 3.283 2.964 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
86 1 11 TYR QE 1 13 LYS QB 4.050 . 4.050 3.154 2.226 3.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
87 1 11 TYR QE 1 34 LYS HE3 4.570 . 4.570 3.814 3.281 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
88 1 11 TYR QE 1 35 CYS H 4.300 . 4.300 4.352 4.174 4.477 0.177 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
89 1 11 TYR QE 1 35 CYS HA 3.170 . 3.170 1.886 1.787 2.412 0.113 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
90 1 11 TYR QE 1 35 CYS HB2 4.860 . 4.860 3.306 1.849 4.022 0.051 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
91 1 12 PRO HA 1 39 ASN HA 4.050 . 4.050 3.313 2.347 4.032 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
92 1 12 PRO HA 1 42 VAL QG 5.030 . 5.030 2.663 2.147 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
93 1 12 PRO HB2 1 13 LYS H 3.810 . 3.810 2.940 2.272 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
94 1 12 PRO HB2 1 42 VAL QG 6.140 . 6.140 3.736 3.010 4.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
95 1 12 PRO HB3 1 13 LYS H 4.050 . 4.050 3.635 3.283 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
96 1 12 PRO HB3 1 39 ASN HA 4.860 . 4.860 3.134 2.056 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
97 1 12 PRO HB3 1 42 VAL QG 5.280 . 5.280 2.495 1.685 3.676 0.215 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
98 1 13 LYS H 1 39 ASN HD21 4.300 . 4.300 3.762 2.237 4.345 0.045 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
99 1 13 LYS H 1 39 ASN HD22 3.810 . 3.810 2.895 1.885 3.832 0.022 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
100 1 13 LYS HA 1 15 ALA H 4.570 . 4.570 3.772 3.697 3.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
101 1 13 LYS QB 1 15 ALA H . . 3.810 2.291 2.126 2.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
102 1 14 PRO HA 1 15 ALA H 3.370 . 3.370 3.176 3.159 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
103 1 14 PRO QG 1 15 ALA H 3.370 . 4.250 3.797 3.759 3.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
104 1 15 ALA MB 1 16 CYS H 3.980 . 3.980 3.128 2.465 3.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
105 1 15 ALA H 1 16 CYS H 4.300 . 4.300 4.070 3.720 4.354 0.054 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
106 1 15 ALA HA 1 16 CYS H 2.810 . 2.810 2.236 2.186 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
107 1 16 CYS H 1 16 CYS HB3 3.810 . 3.810 3.401 2.575 3.848 0.038 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
108 1 16 CYS H 1 16 CYS HB2 3.370 . 3.370 2.682 2.149 3.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
109 1 16 CYS HA 1 17 THR MG 5.550 . 5.550 4.199 3.490 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
110 1 16 CYS HA 1 17 THR H 2.990 . 2.990 2.322 2.212 3.182 0.192 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
111 1 16 CYS HA 1 35 CYS HB3 4.860 . 4.860 3.501 2.763 4.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
112 1 16 CYS HA 1 35 CYS HB2 4.860 . 4.860 3.122 2.059 4.985 0.125 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
113 1 16 CYS HB3 1 17 THR H 3.580 . 3.580 3.178 2.634 3.741 0.161 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
114 1 16 CYS HB3 1 33 ASN QD 4.300 . 4.300 2.609 1.845 3.293 0.055 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
115 1 16 CYS HB3 1 36 ASN H 4.570 . 4.570 4.008 3.300 4.776 0.206 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
116 1 16 CYS HB3 1 36 ASN HD21 4.570 . 4.570 3.528 3.023 4.603 0.033 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
117 1 16 CYS HB3 1 36 ASN HD22 4.050 . 4.050 3.443 2.637 4.065 0.015 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
118 1 16 CYS HB2 1 17 THR H 4.050 . 4.050 3.990 3.790 4.138 0.088 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
119 1 16 CYS HB2 1 33 ASN QD 4.300 . 4.300 3.730 3.050 4.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
120 1 16 CYS HB2 1 36 ASN HD21 4.050 . 4.050 4.038 3.587 4.193 0.143 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
121 1 16 CYS HB2 1 36 ASN HD22 3.810 . 3.810 3.657 3.101 3.913 0.103 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
122 1 17 THR H 1 17 THR MG 3.980 . 3.980 2.610 1.891 3.203 0.009 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
123 1 17 THR HA 1 17 THR MG 3.980 . 3.980 2.157 1.946 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
124 1 17 THR MG 1 18 LEU H 4.790 . 4.790 3.379 2.983 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
125 1 17 THR MG 1 19 GLU H 5.030 . 5.030 4.081 3.758 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
126 1 17 THR HA 1 18 LEU QD 5.550 . 7.090 3.459 2.428 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
127 1 17 THR HA 1 18 LEU H 2.990 . 2.990 2.768 2.266 3.356 0.366 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
128 1 17 THR HB 1 18 LEU QD 6.810 . 8.350 3.756 2.200 5.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
129 1 17 THR HB 1 18 LEU H 3.370 . 3.370 2.155 1.839 3.519 0.149 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
130 1 17 THR HB 1 19 GLU H 4.050 . 4.050 2.651 2.245 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
131 1 18 LEU H 1 18 LEU QD 4.790 . 6.330 2.443 1.579 3.881 0.321 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
132 1 18 LEU HA 1 18 LEU QD 4.160 . 5.700 3.122 1.838 3.453 0.062 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
133 1 18 LEU QD 1 19 GLU H 5.280 . 6.820 2.999 1.786 4.453 0.114 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
134 1 18 LEU H 1 18 LEU HG 3.370 . 3.370 2.378 1.849 3.601 0.231 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
135 1 18 LEU H 1 19 GLU H 3.580 . 3.580 2.042 1.855 2.891 0.045 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
136 1 18 LEU HA 1 19 GLU H 3.580 . 3.580 3.449 3.272 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
137 1 18 LEU HA 1 33 ASN QD . . 4.050 3.604 3.222 3.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
138 1 19 GLU H 1 20 TYR H 4.300 . 4.300 4.513 4.418 4.631 0.331 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
139 1 19 GLU HA 1 20 TYR H 2.640 . 2.640 2.348 2.124 2.786 0.146 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
140 1 19 GLU QB 1 21 ARG QG 4.050 . 5.810 3.441 2.471 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
141 1 20 TYR H 1 20 TYR HB2 3.370 . 3.370 2.767 2.436 3.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
142 1 20 TYR H 1 20 TYR HB3 3.370 . 3.370 2.747 2.574 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
143 1 20 TYR HA 1 20 TYR QD 3.170 . 3.170 1.903 1.835 2.090 0.065 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
144 1 20 TYR HA 1 21 ARG H 2.990 . 2.990 2.063 2.017 2.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
145 1 20 TYR HA 1 21 ARG QB 4.860 . 5.740 4.435 4.028 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
146 1 20 TYR HA 1 33 ASN HB2 4.860 . 4.860 3.994 3.604 4.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
147 1 20 TYR HA 1 33 ASN QD 4.860 . 4.860 3.871 2.661 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
148 1 20 TYR HB2 1 20 TYR QD 3.370 . 3.370 2.739 2.669 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
149 1 20 TYR HB2 1 21 ARG H 4.050 . 4.050 4.247 4.175 4.371 0.321 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
150 1 20 TYR HB3 1 20 TYR QD 3.170 . 3.170 2.334 2.301 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
151 1 20 TYR HB3 1 21 ARG H 4.300 . 4.300 4.079 3.909 4.301 0.001 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
152 1 20 TYR QD 1 22 PRO QG 4.300 . 5.180 3.745 3.268 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
153 1 20 TYR QD 1 22 PRO QD 4.860 . 5.740 2.995 2.778 3.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
154 1 20 TYR QD 1 21 ARG H 3.580 . 3.580 2.752 2.380 3.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
155 1 20 TYR QE 1 22 PRO QG 4.050 . 4.930 2.478 2.060 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
156 1 20 TYR QE 1 22 PRO QD 5.160 . 6.040 3.074 2.844 3.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
157 1 20 TYR QE 1 22 PRO QB 3.580 . 3.580 2.987 2.395 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
158 1 20 TYR QE 1 30 THR MG 5.280 . 5.280 4.259 3.955 4.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
159 1 20 TYR QE 1 32 GLY H 4.570 . 4.570 4.572 4.405 4.662 0.092 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
160 1 21 ARG H 1 21 ARG QG 4.300 . 5.180 3.005 2.080 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
161 1 21 ARG H 1 33 ASN HB3 4.300 . 4.300 2.244 1.880 2.645 0.020 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
162 1 21 ARG H 1 33 ASN HB2 4.050 . 4.050 3.039 2.469 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
163 1 21 ARG HA 1 21 ARG QG 3.370 . 4.250 2.616 2.022 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
164 1 21 ARG HA 1 22 PRO QD 2.990 . 3.870 1.902 1.843 1.998 0.057 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
165 1 21 ARG QB 1 33 ASN HA 4.050 . 4.930 3.309 2.275 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
166 1 21 ARG QB 1 33 ASN HB2 4.860 . 5.740 3.096 2.317 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
167 1 21 ARG HE 1 21 ARG QG 3.580 . 4.460 2.528 2.064 3.440 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
168 1 22 PRO HA 1 23 LEU QD 5.840 . 5.840 3.638 2.832 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
169 1 22 PRO HA 1 23 LEU H 2.990 . 2.990 2.210 2.173 2.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
170 1 22 PRO QB 1 23 LEU H 3.810 . 3.810 3.448 3.074 3.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
171 1 22 PRO QB 1 55 LYS H 3.810 . 3.810 3.407 3.267 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
172 1 22 PRO QB 1 55 LYS HA 4.300 . 4.300 2.663 2.350 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
173 1 23 LEU H 1 23 LEU QD 4.790 . 4.790 2.623 2.179 3.071 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
174 1 23 LEU QD 1 33 ASN H 5.280 . 5.280 3.898 3.345 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
175 1 23 LEU QD 1 33 ASN HA 5.030 . 5.030 2.785 1.979 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
176 1 23 LEU QD 1 34 LYS H 4.570 . 4.570 2.685 2.175 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
177 1 23 LEU QD 1 34 LYS HA 4.360 . 4.360 1.704 1.646 1.861 0.254 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
178 1 23 LEU QD 1 34 LYS HB2 5.550 . 5.550 3.335 2.999 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
179 1 23 LEU QD 1 34 LYS HB3 5.840 . 5.840 2.731 2.237 3.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
180 1 23 LEU QD 1 37 PHE H 4.790 . 4.790 3.260 2.881 3.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
181 1 23 LEU QD 1 37 PHE HA 6.810 . 6.810 4.029 3.630 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
182 1 23 LEU QD 1 37 PHE QD 5.030 . 5.030 2.538 1.851 3.142 0.049 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
183 1 23 LEU QD 1 50 LEU QD . . 5.830 2.357 1.867 2.800 0.033 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
184 1 23 LEU QD 1 53 PHE QD . . 4.790 2.254 1.844 3.127 0.056 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
185 1 23 LEU QD 1 53 PHE QE . . 5.030 2.715 2.398 3.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
186 1 23 LEU HA 1 23 LEU QD 4.790 . 4.790 2.810 2.460 3.034 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
187 1 23 LEU QD 1 24 CYS H 5.280 . 5.280 4.102 3.877 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
188 1 23 LEU QD 1 53 PHE HA 5.030 . 5.030 2.619 1.934 3.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
189 1 23 LEU QD 1 53 PHE HB2 6.810 . 6.810 4.393 3.844 4.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
190 1 23 LEU QD 1 53 PHE HB3 6.460 . 6.460 3.418 2.808 4.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
191 1 23 LEU QD 1 54 GLY H 4.790 . 4.790 3.450 2.774 3.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
192 1 23 LEU H 1 23 LEU HG 4.050 . 4.050 2.585 2.097 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
193 1 23 LEU H 1 30 THR MG 4.790 . 4.790 3.604 3.042 3.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
194 1 23 LEU H 1 31 TYR H 4.050 . 4.050 2.950 2.563 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
195 1 23 LEU HA 1 24 CYS H 3.170 . 3.170 2.242 2.143 2.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
196 1 23 LEU HA 1 50 LEU QD 5.550 . 5.550 2.918 2.430 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
197 1 23 LEU QB 1 31 TYR H 4.570 . 5.450 4.239 3.926 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
198 1 23 LEU QB 1 37 PHE QD 4.050 . 4.930 3.014 2.517 3.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
199 1 23 LEU QB 1 50 LEU QD 4.360 . 5.240 1.825 1.680 2.017 0.220 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
200 1 23 LEU QB 1 54 GLY H 4.570 . 5.450 4.522 3.772 4.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
201 1 23 LEU HG 1 33 ASN HA 5.160 . 5.160 3.735 3.385 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
202 1 23 LEU HG 1 50 LEU QD 6.140 . 6.140 3.973 3.398 4.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
203 1 23 LEU HG 1 53 PHE QD 4.860 . 4.860 4.061 3.609 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
204 1 24 CYS H 1 24 CYS QB 3.810 . 3.810 2.292 2.123 2.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
205 1 24 CYS H 1 50 LEU QD 4.570 . 4.570 2.350 1.749 3.365 0.151 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
206 1 24 CYS H 1 52 HIS H 4.050 . 4.050 3.591 3.205 4.057 0.007 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
207 1 24 CYS H 1 53 PHE HA 4.300 . 4.300 3.407 2.870 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
208 1 24 CYS HA 1 30 THR MG 5.840 . 5.840 3.742 3.156 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
209 1 24 CYS HA 1 30 THR HA 3.170 . 3.170 2.212 1.895 2.670 0.005 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
210 1 24 CYS QB 1 52 HIS HD2 4.570 . 4.570 2.294 1.737 4.028 0.163 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
211 1 24 CYS QB 1 52 HIS HE1 . . 4.050 3.247 2.098 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
212 1 24 CYS QB 1 56 CYS H 4.300 . 4.300 3.019 2.132 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
213 1 24 CYS QB 1 25 GLY H 4.570 . 4.570 3.479 2.325 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
214 1 24 CYS QB 1 30 THR HA 4.860 . 4.860 3.761 3.211 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
215 1 24 CYS QB 1 52 HIS H 4.300 . 4.300 3.133 2.550 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
216 1 24 CYS QB 1 55 LYS HA 5.160 . 5.160 3.553 2.972 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
217 1 24 CYS QB 1 56 CYS HA 3.810 . 3.810 2.853 2.141 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
218 1 25 GLY H 1 28 ASN HA 4.570 . 4.570 4.451 3.651 4.711 0.141 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
219 1 25 GLY H 1 29 LYS H 4.300 . 4.300 3.116 2.296 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
220 1 25 GLY H 1 31 TYR QD 4.050 . 4.050 3.620 2.360 4.123 0.073 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
221 1 26 SER H 1 27 ASP H 3.810 . 3.810 2.543 2.227 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
222 1 26 SER H 1 28 ASN H 4.860 . 4.860 4.006 3.490 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
223 1 26 SER H 1 48 LEU QD 4.570 . 4.570 2.011 1.713 3.009 0.187 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
224 1 26 SER H 1 48 LEU HG 4.050 . 4.050 3.272 1.990 4.152 0.102 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
225 1 26 SER H 1 49 THR H 4.300 . 4.300 3.948 1.964 4.637 0.337 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
226 1 26 SER H 1 51 SER H 4.860 . 4.860 4.702 3.396 4.955 0.095 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
227 1 26 SER HA 1 28 ASN H 4.050 . 4.050 3.480 3.182 4.162 0.112 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
228 1 27 ASP H 1 27 ASP HB3 4.050 . 4.050 2.757 2.367 3.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
229 1 27 ASP H 1 28 ASN H 3.370 . 3.370 2.640 2.264 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
230 1 27 ASP H 1 29 LYS H 4.570 . 4.570 3.873 3.264 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
231 1 27 ASP H 1 48 LEU QD 4.360 . 4.360 2.544 1.871 3.195 0.029 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
232 1 27 ASP HB3 1 48 LEU QD 5.550 . 5.550 3.680 2.738 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
233 1 27 ASP HB2 1 28 ASN H 4.570 . 4.570 4.071 3.551 4.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
234 1 27 ASP HB2 1 48 LEU QD 6.460 . 6.460 4.673 3.906 5.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
235 1 28 ASN H 1 28 ASN HA 2.810 . 2.810 2.369 2.318 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
236 1 28 ASN H 1 29 LYS H 3.170 . 3.170 2.381 1.860 2.857 0.040 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
237 1 28 ASN H 1 48 LEU QD 5.280 . 5.280 4.276 3.799 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
238 1 29 LYS HA 1 30 THR H 2.990 . 2.990 2.334 2.114 2.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
239 1 30 THR H 1 30 THR MG 5.030 . 5.030 3.786 3.728 3.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
240 1 30 THR MG 1 31 TYR H 4.790 . 4.790 2.069 1.752 2.770 0.148 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
241 1 30 THR MG 1 55 LYS H 5.280 . 5.280 4.276 4.041 4.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
242 1 30 THR MG 1 55 LYS HA 3.980 . 3.980 2.182 1.833 2.452 0.067 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
243 1 30 THR MG 1 56 CYS H 4.570 . 4.570 3.275 2.700 3.673 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
244 1 30 THR H 1 30 THR HB 3.370 . 3.370 2.479 2.352 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
245 1 31 TYR H 1 31 TYR QD 4.860 . 4.860 3.334 2.623 4.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
246 1 31 TYR HA 1 31 TYR QD 4.050 . 4.050 2.709 2.198 3.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
247 1 31 TYR HA 1 32 GLY H 3.170 . 3.170 2.209 2.150 2.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
248 1 31 TYR HA 1 33 ASN H 4.300 . 4.300 4.337 4.193 4.402 0.102 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
249 1 31 TYR QD 1 37 PHE QD 3.580 . 3.580 2.179 1.853 2.886 0.047 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
250 1 31 TYR QD 1 37 PHE QE 4.050 . 4.050 3.737 3.205 4.152 0.102 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
251 1 31 TYR QD 1 37 PHE HA 4.050 . 4.050 2.726 2.291 3.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
252 1 31 TYR QD 1 40 ALA MB 5.840 . 5.840 3.335 1.918 3.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
253 1 31 TYR HE2 1 48 LEU QD 6.460 . 6.460 3.062 1.780 4.934 0.120 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
254 1 31 TYR HE1 1 40 ALA MB 6.140 . 6.140 3.318 1.934 5.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
255 1 32 GLY H 1 33 ASN H 3.580 . 3.580 3.188 2.819 3.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
256 1 32 GLY H 1 36 ASN HD21 4.570 . 4.570 4.666 4.572 4.862 0.292 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
257 1 33 ASN H 1 33 ASN HB3 3.580 . 3.580 3.478 3.285 3.615 0.035 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
258 1 33 ASN H 1 33 ASN QD 4.860 . 4.860 4.292 3.994 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
259 1 33 ASN H 1 36 ASN HD21 4.300 . 4.300 3.138 2.407 4.346 0.046 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
260 1 33 ASN HB3 1 34 LYS H 3.370 . 3.370 3.425 3.383 3.473 0.103 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
261 1 33 ASN HB2 1 34 LYS H 3.810 . 3.810 1.858 1.822 1.922 0.078 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
262 1 33 ASN QD 1 34 LYS H 4.300 . 4.300 3.918 3.410 4.059 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
263 1 33 ASN QD 1 36 ASN H 4.570 . 4.570 3.915 3.210 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
264 1 33 ASN QD 1 36 ASN HD21 4.050 . 4.050 3.536 3.037 4.064 0.014 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
265 1 33 ASN QD 1 36 ASN HD22 4.300 . 4.300 3.852 2.667 4.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
266 1 34 LYS H 1 34 LYS HB2 3.580 . 3.580 3.586 3.559 3.613 0.033 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
267 1 34 LYS H 1 34 LYS HB3 3.580 . 3.580 2.564 2.280 2.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
268 1 34 LYS H 1 34 LYS QD 3.810 . 4.690 3.784 3.366 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
269 1 34 LYS H 1 35 CYS H 3.580 . 3.580 2.925 2.588 3.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
270 1 34 LYS HA 1 37 PHE H 3.580 . 3.580 3.579 3.296 3.711 0.131 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
271 1 34 LYS HA 1 37 PHE QD 4.050 . 4.050 3.613 3.067 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
272 1 34 LYS HA 1 38 CYS H 4.050 . 4.050 3.793 3.392 4.071 0.021 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
273 1 35 CYS H 1 35 CYS HB3 3.370 . 3.370 2.904 2.393 3.576 0.206 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
274 1 35 CYS H 1 35 CYS HB2 3.170 . 3.170 2.631 2.314 3.541 0.371 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
275 1 35 CYS H 1 36 ASN H 3.170 . 3.170 2.875 2.458 3.200 0.030 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
276 1 35 CYS HB2 1 36 ASN H 3.580 . 3.580 3.154 1.955 3.730 0.150 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
277 1 36 ASN H 1 36 ASN HD21 3.580 . 3.580 2.078 1.851 2.716 0.049 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
278 1 36 ASN H 1 36 ASN HD22 4.050 . 4.050 3.313 2.732 4.083 0.033 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
279 1 36 ASN HA 1 36 ASN HD21 3.580 . 3.580 3.338 2.126 3.693 0.113 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
280 1 36 ASN HA 1 36 ASN HD22 4.050 . 4.050 4.020 3.722 4.130 0.080 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
281 1 36 ASN HA 1 39 ASN H 4.300 . 4.300 3.830 3.188 4.314 0.014 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
282 1 36 ASN HA 1 39 ASN HB2 4.300 . 4.300 3.009 2.212 4.373 0.073 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
283 1 36 ASN HA 1 39 ASN HB3 5.160 . 5.160 4.258 3.675 5.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
284 1 36 ASN HA 1 39 ASN HD21 4.300 . 4.300 3.280 1.896 4.429 0.129 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
285 1 37 PHE H 1 38 CYS H 3.370 . 3.370 2.621 2.166 2.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
286 1 37 PHE HA 1 37 PHE QD 3.370 . 3.370 2.143 1.839 2.701 0.061 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
287 1 37 PHE HA 1 40 ALA MB 4.790 . 4.790 3.003 2.526 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
288 1 37 PHE HA 1 40 ALA H 4.570 . 4.570 3.672 3.149 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
289 1 37 PHE HA 1 41 VAL QG 6.460 . 6.460 4.368 3.781 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
290 1 37 PHE HA 1 48 LEU QD 5.840 . 5.840 3.949 3.186 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
291 1 37 PHE QD 1 40 ALA MB 6.140 . 6.140 3.371 2.410 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
292 1 37 PHE QD 1 48 LEU QD . . 5.030 3.059 2.439 3.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
293 1 37 PHE QD 1 38 CYS H 3.370 . 3.370 3.390 3.087 3.542 0.172 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
294 1 37 PHE QD 1 38 CYS HA 4.300 . 4.300 3.825 3.227 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
295 1 37 PHE QE 1 48 LEU QD 4.790 . 4.790 2.026 1.593 2.694 0.307 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
296 1 37 PHE QE 1 48 LEU HG 3.810 . 3.810 3.306 2.446 3.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
297 1 37 PHE QE 1 50 LEU QD 5.280 . 5.280 2.922 2.333 3.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
298 1 37 PHE QE 1 50 LEU H 4.300 . 4.300 3.642 3.135 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
299 1 37 PHE QE 1 50 LEU HA 3.810 . 3.810 3.093 2.082 3.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
300 1 37 PHE QE 1 50 LEU HB2 4.050 . 4.050 2.620 1.984 3.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
301 1 37 PHE QE 1 38 CYS HA 4.860 . 4.860 4.574 4.153 4.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
302 1 37 PHE QE 1 41 VAL QG 4.570 . 4.570 2.799 2.134 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
303 1 37 PHE HZ 1 41 VAL QG 4.570 . 4.570 3.066 2.435 3.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
304 1 37 PHE HZ 1 48 LEU HG 4.300 . 4.300 3.550 2.670 4.432 0.132 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
305 1 37 PHE HZ 1 49 THR HA 3.580 . 3.580 3.240 2.545 3.686 0.106 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
306 1 37 PHE HZ 1 50 LEU QD 5.030 . 5.030 3.228 2.797 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
307 1 37 PHE HZ 1 50 LEU H 3.810 . 3.810 2.422 2.131 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
308 1 37 PHE HZ 1 50 LEU HA 3.580 . 3.580 2.820 1.987 3.658 0.078 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
309 1 37 PHE HZ 1 50 LEU HB2 4.050 . 4.050 2.449 1.930 3.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
310 1 37 PHE HZ 1 50 LEU HB3 4.570 . 4.570 2.631 1.846 3.429 0.054 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
311 1 38 CYS H 1 38 CYS HB3 3.580 . 3.580 3.205 2.188 3.625 0.045 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
312 1 38 CYS H 1 38 CYS HB2 3.370 . 3.370 2.475 2.172 2.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
313 1 38 CYS H 1 39 ASN H 3.370 . 3.370 2.857 2.548 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
314 1 38 CYS H 1 41 VAL QG 5.280 . 5.280 4.172 3.998 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
315 1 38 CYS HA 1 40 ALA MB 6.140 . 6.140 4.433 4.082 4.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
316 1 38 CYS HA 1 41 VAL QG . . 4.570 2.368 1.910 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
317 1 38 CYS HA 1 41 VAL H 3.370 . 3.370 2.927 2.597 3.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
318 1 38 CYS HA 1 41 VAL HB 3.170 . 3.170 2.392 2.030 2.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
319 1 38 CYS HA 1 42 VAL H 4.050 . 4.050 3.888 3.090 4.193 0.143 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
320 1 38 CYS HB3 1 39 ASN H 4.300 . 4.300 3.188 2.375 3.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
321 1 38 CYS HB2 1 39 ASN H 4.570 . 4.570 3.207 2.237 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
322 1 39 ASN H 1 39 ASN HB2 3.370 . 3.370 2.424 2.116 3.490 0.120 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
323 1 39 ASN H 1 39 ASN HB3 3.370 . 3.370 3.480 3.270 3.582 0.212 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
324 1 39 ASN H 1 39 ASN HD21 4.050 . 4.050 3.316 2.502 4.149 0.099 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
325 1 39 ASN H 1 39 ASN HD22 4.300 . 4.300 4.113 3.047 4.405 0.105 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
326 1 39 ASN H 1 40 ALA H 3.170 . 3.170 2.684 2.370 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
327 1 39 ASN HA 1 42 VAL QG 4.790 . 4.790 1.821 1.681 2.026 0.219 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
328 1 39 ASN HA 1 42 VAL H 4.860 . 4.860 3.559 3.002 4.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
329 1 39 ASN HA 1 42 VAL HB 4.300 . 4.300 4.398 4.293 4.485 0.185 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
330 1 39 ASN HB2 1 39 ASN HD21 3.580 . 3.580 2.545 2.227 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
331 1 39 ASN HB2 1 39 ASN HD22 4.050 . 4.050 3.626 3.485 4.052 0.002 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
332 1 39 ASN HB2 1 40 ALA H 3.810 . 3.810 2.996 2.616 3.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
333 1 39 ASN HB3 1 39 ASN HD22 3.810 . 3.810 3.852 3.507 4.074 0.264 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
334 1 39 ASN HB3 1 40 ALA H 4.300 . 4.300 3.596 3.077 4.305 0.005 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
335 1 40 ALA MB 1 41 VAL QG 7.510 . 7.510 3.028 2.717 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
336 1 40 ALA MB 1 41 VAL H 4.360 . 4.360 2.582 2.243 3.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
337 1 40 ALA MB 1 41 VAL HA 6.140 . 6.140 3.814 3.677 3.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
338 1 40 ALA MB 1 43 GLU H 5.840 . 5.840 4.553 4.422 4.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
339 1 40 ALA MB 1 48 LEU QD 5.190 . 5.190 1.878 1.560 2.309 0.340 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
340 1 40 ALA H 1 41 VAL QG 5.030 . 5.030 3.859 3.551 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
341 1 40 ALA H 1 41 VAL H 3.170 . 3.170 2.464 2.211 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
342 1 40 ALA H 1 42 VAL H 4.860 . 4.860 4.174 3.668 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
343 1 40 ALA HA 1 43 GLU H 3.580 . 3.580 3.496 3.145 3.781 0.201 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
344 1 40 ALA HA 1 44 SER H 4.570 . 4.570 4.147 3.546 4.575 0.005 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
345 1 41 VAL H 1 41 VAL QG . . 3.980 2.160 1.839 2.583 0.061 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
346 1 41 VAL QG 1 42 VAL QG . . 6.880 3.341 2.869 3.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
347 1 41 VAL QG 1 42 VAL H 4.570 . 4.570 3.043 2.703 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
348 1 41 VAL QG 1 42 VAL HA 5.030 . 5.030 3.350 3.035 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
349 1 41 VAL QG 1 46 GLY H 4.790 . 4.790 3.147 2.384 3.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
350 1 41 VAL QG 1 47 THR H 5.840 . 5.840 4.185 3.693 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
351 1 41 VAL QG 1 48 LEU H 5.280 . 5.280 3.544 3.190 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
352 1 41 VAL QG 1 49 THR HA . . 5.550 3.435 2.687 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
353 1 41 VAL QG 1 48 LEU QD . . 5.600 1.710 1.539 2.045 0.361 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
354 1 41 VAL QG 1 48 LEU HB2 5.840 . 5.840 4.072 3.739 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
355 1 41 VAL QG 1 48 LEU HB3 5.280 . 5.280 2.951 2.550 3.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
356 1 41 VAL QG 1 48 LEU HG 5.030 . 5.030 2.928 1.844 3.888 0.056 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
357 1 41 VAL H 1 41 VAL HB 3.170 . 3.170 2.456 2.299 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
358 1 41 VAL H 1 42 VAL QG 5.550 . 5.550 3.553 3.196 4.058 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
359 1 41 VAL H 1 42 VAL H 3.370 . 3.370 2.715 2.278 3.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
360 1 41 VAL H 1 43 GLU H 4.570 . 4.570 3.845 3.451 4.173 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
361 1 41 VAL H 1 48 LEU QD 4.570 . 4.570 2.757 2.196 3.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
362 1 41 VAL HA 1 44 SER H 4.300 . 4.300 3.487 3.225 3.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
363 1 41 VAL HA 1 44 SER HB3 4.570 . 4.570 3.306 2.322 4.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
364 1 41 VAL HA 1 48 LEU QD 4.570 . 4.570 2.252 1.849 2.751 0.051 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
365 1 41 VAL HA 1 48 LEU H 4.300 . 4.300 3.493 3.151 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
366 1 41 VAL HA 1 48 LEU HB2 4.050 . 4.050 3.932 3.453 4.219 0.169 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
367 1 41 VAL HA 1 48 LEU HB3 3.170 . 3.170 2.458 1.991 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
368 1 41 VAL HA 1 48 LEU HG 4.860 . 4.860 4.187 3.145 4.910 0.050 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
369 1 42 VAL H 1 42 VAL QG 3.980 . 3.980 1.953 1.757 2.489 0.143 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
370 1 42 VAL QG 1 43 GLU H 4.570 . 4.570 2.154 1.793 2.599 0.107 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
371 1 42 VAL H 1 43 GLU H 3.370 . 3.370 2.602 2.185 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
372 1 42 VAL HA 1 44 SER H 4.300 . 4.300 4.077 3.637 4.338 0.038 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
373 1 42 VAL HA 1 45 ASN H 4.050 . 4.050 3.916 3.327 4.131 0.081 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
374 1 42 VAL HA 1 46 GLY H 4.050 . 4.050 3.872 3.016 4.174 0.124 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
375 1 43 GLU H 1 43 GLU QG 3.370 . 4.250 3.291 1.647 3.926 0.253 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
376 1 43 GLU H 1 44 SER H 3.170 . 3.170 2.222 2.101 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
377 1 43 GLU H 1 44 SER HA 4.860 . 4.860 4.939 4.884 4.996 0.136 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
378 1 43 GLU H 1 45 ASN H 4.570 . 4.570 3.989 3.528 4.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
379 1 43 GLU HA 1 43 GLU QG 4.050 . 4.930 2.434 1.930 3.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
380 1 43 GLU HA 1 45 ASN H 4.050 . 4.050 3.654 3.501 3.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
381 1 43 GLU QG 1 44 SER H 4.300 . 5.180 3.848 1.849 4.732 0.051 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
382 1 44 SER H 1 44 SER HB3 3.810 . 3.810 2.542 2.254 3.111 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
383 1 44 SER H 1 44 SER HB2 4.050 . 4.050 3.284 2.365 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
384 1 44 SER H 1 45 ASN H 3.580 . 3.580 2.543 2.127 2.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
385 1 44 SER H 1 48 LEU QD 5.840 . 5.840 4.472 3.948 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
386 1 44 SER HB3 1 48 LEU QD 5.840 . 5.840 3.504 2.915 4.053 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
387 1 44 SER HB3 1 48 LEU H 4.300 . 4.300 3.594 2.070 4.336 0.036 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
388 1 44 SER HB3 1 48 LEU HB2 4.300 . 4.300 3.268 2.606 3.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
389 1 44 SER HB3 1 48 LEU HB3 4.300 . 4.300 3.028 2.001 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
390 1 44 SER HB2 1 48 LEU QD 6.140 . 6.140 3.981 3.267 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
391 1 44 SER HB2 1 48 LEU HB2 3.810 . 3.810 3.464 2.650 3.913 0.103 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
392 1 44 SER HB2 1 48 LEU HB3 4.300 . 4.300 3.717 2.737 4.338 0.038 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
393 1 45 ASN H 1 45 ASN HA 2.810 . 2.810 2.342 2.308 2.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
394 1 45 ASN H 1 46 GLY H 3.370 . 3.370 2.607 2.367 3.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
395 1 45 ASN H 1 47 THR H 4.570 . 4.570 4.280 3.997 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
396 1 45 ASN HA 1 46 GLY H 3.170 . 3.170 3.055 2.609 3.286 0.116 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
397 1 45 ASN HA 1 47 THR H 4.570 . 4.570 4.506 4.195 4.689 0.119 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
398 1 46 GLY H 1 47 THR MG 5.550 . 5.550 3.951 3.504 4.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
399 1 46 GLY H 1 47 THR H 3.580 . 3.580 2.561 2.349 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
400 1 46 GLY H 1 48 LEU H 4.570 . 4.570 3.775 3.365 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
401 1 47 THR H 1 47 THR MG 4.160 . 4.160 2.224 1.823 2.796 0.077 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
402 1 47 THR MG 1 48 LEU H 4.790 . 4.790 3.338 2.049 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
403 1 47 THR H 1 48 LEU H 3.370 . 3.370 2.311 1.884 2.556 0.016 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
404 1 47 THR H 1 48 LEU HB3 4.570 . 4.570 3.981 3.517 4.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
405 1 47 THR HA 1 49 THR MG 5.280 . 5.280 3.631 2.992 4.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
406 1 48 LEU H 1 48 LEU QD . . 4.790 3.513 3.048 3.674 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
407 1 48 LEU HA 1 48 LEU QD 4.160 . 4.160 2.652 2.169 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
408 1 48 LEU QD 1 49 THR H 4.360 . 4.360 2.450 1.753 3.111 0.147 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
409 1 48 LEU H 1 48 LEU HB2 3.810 . 3.810 3.097 2.859 3.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
410 1 48 LEU H 1 48 LEU HB3 3.580 . 3.580 2.092 1.999 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
411 1 48 LEU H 1 48 LEU HG 4.050 . 4.050 3.906 3.147 4.227 0.177 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
412 1 48 LEU HA 1 48 LEU HG 3.810 . 3.810 3.259 2.712 3.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
413 1 48 LEU HA 1 49 THR H 3.370 . 3.370 3.129 2.217 3.530 0.160 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
414 1 48 LEU HB2 1 49 THR H 4.300 . 4.300 3.683 3.446 3.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
415 1 48 LEU HG 1 49 THR H 3.580 . 3.580 2.245 1.827 3.402 0.073 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
416 1 49 THR HA 1 49 THR MG 3.980 . 3.980 2.423 2.066 2.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
417 1 49 THR MG 1 50 LEU H 4.570 . 4.570 3.976 3.223 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
418 1 49 THR H 1 49 THR HB 3.810 . 3.810 3.973 3.773 4.114 0.304 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
419 1 49 THR HA 1 49 THR HB 2.810 . 2.810 2.377 2.249 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
420 1 49 THR HA 1 50 LEU H 3.580 . 3.580 2.221 2.042 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
421 1 49 THR HB 1 50 LEU H 3.170 . 3.170 3.031 2.359 3.369 0.199 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
422 1 50 LEU H 1 50 LEU QD . . 4.790 3.210 2.369 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
423 1 50 LEU HA 1 50 LEU QD 4.360 . 4.360 2.848 1.840 3.380 0.060 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
424 1 50 LEU QD 1 51 SER H 4.360 . 4.360 2.642 1.853 3.224 0.047 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
425 1 50 LEU QD 1 52 HIS H 4.360 . 4.360 2.330 1.821 2.756 0.079 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
426 1 50 LEU QD 1 52 HIS HA . . 5.550 2.936 2.186 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
427 1 50 LEU QD 1 53 PHE HA 5.550 . 5.550 2.598 2.221 3.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
428 1 50 LEU QD 1 53 PHE QD . . 5.280 3.064 2.361 3.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
429 1 50 LEU QD 1 53 PHE QE . . 5.030 2.918 2.109 3.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
430 1 50 LEU QD 1 53 PHE H 5.280 . 5.280 3.378 2.896 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
431 1 50 LEU H 1 50 LEU HB2 3.580 . 3.580 3.064 2.519 3.738 0.158 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
432 1 50 LEU H 1 51 SER H 4.570 . 4.570 4.586 4.441 4.654 0.084 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
433 1 50 LEU HA 1 50 LEU HG 4.050 . 4.050 3.132 2.622 3.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
434 1 50 LEU HA 1 51 SER H 3.370 . 3.370 2.406 2.193 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
435 1 50 LEU HG 1 51 SER H 4.300 . 4.300 2.295 1.862 3.245 0.038 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
436 1 50 LEU HG 1 52 HIS H 3.580 . 3.580 2.018 1.848 2.571 0.052 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
437 1 50 LEU HG 1 52 HIS HA 4.300 . 4.300 3.403 2.697 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
438 1 50 LEU HG 1 53 PHE H 4.860 . 4.860 4.887 4.301 5.004 0.144 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
439 1 51 SER H 1 52 HIS H 3.370 . 3.370 1.985 1.815 2.359 0.085 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
440 1 52 HIS HA 1 52 HIS HD2 4.300 . 4.300 4.067 3.809 4.486 0.186 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
441 1 52 HIS HA 1 53 PHE H 3.170 . 3.170 2.400 2.219 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
442 1 52 HIS HB3 1 52 HIS HD2 3.580 . 3.580 3.256 2.833 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
443 1 52 HIS HB3 1 53 PHE H 3.810 . 3.810 3.867 3.437 4.028 0.218 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
444 1 52 HIS HB2 1 52 HIS HD2 4.050 . 4.050 3.968 3.878 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
445 1 52 HIS HB2 1 53 PHE H 3.580 . 3.580 2.556 1.963 2.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
446 1 52 HIS HE1 1 55 LYS H 4.570 . 4.570 4.642 4.542 4.728 0.158 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
447 1 52 HIS HE1 1 55 LYS HA 4.860 . 4.860 4.642 3.936 4.924 0.064 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
448 1 52 HIS HE1 1 56 CYS H 4.570 . 4.570 4.129 3.451 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
449 1 52 HIS HE1 1 56 CYS HA 3.170 . 3.170 2.094 1.838 2.708 0.062 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
450 1 53 PHE H 1 53 PHE HB2 3.370 . 3.370 2.355 2.290 2.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
451 1 53 PHE H 1 53 PHE HB3 3.580 . 3.580 3.604 3.582 3.639 0.059 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
452 1 53 PHE H 1 53 PHE QD 3.370 . 3.370 1.990 1.870 2.245 0.030 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
453 1 53 PHE H 1 53 PHE QE 4.300 . 4.300 4.262 4.186 4.387 0.087 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
454 1 53 PHE H 1 54 GLY H 4.570 . 4.570 4.573 4.460 4.649 0.079 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
455 1 53 PHE HA 1 53 PHE QD 4.050 . 4.050 2.998 2.699 3.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
456 1 53 PHE HA 1 54 GLY H 3.370 . 3.370 2.541 2.166 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
457 1 53 PHE HB2 1 54 GLY H 4.300 . 4.300 3.564 3.150 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
458 1 53 PHE HB3 1 54 GLY H 3.810 . 3.810 2.302 1.854 3.190 0.046 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
459 1 53 PHE QD 1 54 GLY H 4.050 . 4.050 3.663 3.416 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
460 1 54 GLY H 1 55 LYS H 4.570 . 4.570 4.616 4.531 4.654 0.084 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
461 1 55 LYS HA 1 56 CYS H 2.990 . 2.990 2.366 2.182 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
462 1 56 CYS H 1 56 CYS HB2 3.810 . 3.810 2.302 2.082 2.827 . 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 4297.662
_Distance_constraint_stats_list.Viol_max 1.105
_Distance_constraint_stats_list.Viol_rms 0.1609
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5730
_Distance_constraint_stats_list.Viol_average_violations_only 0.5730
_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 33.658 1.105 38 45 "[***** *********************-*3 ***.**+******.*****]"
1 34 LYS 30.246 0.798 27 45 "[ * ******* *-******2******+********** ************]"
1 37 PHE 85.953 1.105 38 50 [***************************-*********+************]
1 38 CYS 22.049 0.715 18 15 "[ . * * * . + 2* *. *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 1.833 1.591 2.265 1.105 38 45 "[***** *********************-*3 ***.**+******.*****]" 7
2 1 34 LYS HA 1 37 PHE QB 1.900 . 1.940 2.545 2.350 2.738 0.798 27 45 "[ * ******* *-******2******+********** ************]" 7
3 1 37 PHE QB 1 38 CYS H . . 1.810 2.251 1.996 2.525 0.715 18 15 "[ . * * * . + 2* *. *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 262
_Distance_constraint_stats_list.Viol_total 700.240
_Distance_constraint_stats_list.Viol_max 0.245
_Distance_constraint_stats_list.Viol_rms 0.0251
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0535
_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 0.084 0.084 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 GLU 0.020 0.020 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 LEU 5.705 0.245 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 CYS 0.649 0.088 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 GLY 0.686 0.074 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 SER 2.795 0.142 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASP 0.656 0.096 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 LYS 0.686 0.074 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 TYR 5.705 0.245 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 CYS 0.020 0.020 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 PHE 2.188 0.126 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 ASN 0.988 0.106 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 VAL 2.188 0.126 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLU 0.968 0.106 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 SER 0.233 0.077 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 LEU 0.233 0.077 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 THR 2.795 0.142 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 HIS 0.649 0.088 3 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 2.541 2.094 3.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
2 1 7 ASP OD1 1 9 SER N 3.000 2.500 4.380 3.267 2.681 3.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
3 1 10 GLU H 1 10 GLU OE1 2.000 . 3.380 2.683 2.134 3.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
4 1 10 GLU N 1 10 GLU OE1 3.000 2.500 4.380 2.942 2.416 3.531 0.084 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
5 1 19 GLU H 1 19 GLU OE1 2.000 . 3.380 2.535 2.074 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
6 1 19 GLU N 1 19 GLU OE1 3.000 2.500 4.380 3.202 2.480 3.761 0.020 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
7 1 23 LEU H 1 31 TYR O 2.000 . 2.300 2.340 2.064 2.545 0.245 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
8 1 23 LEU N 1 31 TYR O 3.000 2.500 3.300 3.156 2.937 3.304 0.004 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
9 1 24 CYS H 1 52 HIS O 2.000 . 2.300 2.229 2.046 2.388 0.088 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
10 1 24 CYS N 1 52 HIS O 3.000 2.500 3.300 3.130 2.927 3.318 0.018 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
11 1 25 GLY H 1 29 LYS O 2.000 . 2.300 2.211 2.057 2.374 0.074 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
12 1 25 GLY N 1 29 LYS O 3.000 2.500 3.300 3.079 2.794 3.304 0.004 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
13 1 26 SER H 1 49 THR O 2.000 . 2.300 2.167 1.943 2.417 0.117 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
14 1 26 SER N 1 49 THR O 3.000 2.500 3.300 2.688 2.358 3.334 0.142 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
15 1 27 ASP H 1 27 ASP OD1 2.000 . 3.380 2.256 2.050 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
16 1 27 ASP N 1 27 ASP OD1 3.000 2.500 4.380 2.671 2.404 3.147 0.096 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
17 1 27 ASP OD1 1 29 LYS H 2.000 . 3.380 2.318 2.060 3.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
18 1 27 ASP OD1 1 29 LYS N 3.000 2.500 4.380 2.995 2.529 3.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
19 1 23 LEU O 1 31 TYR H 2.000 . 2.300 2.319 2.032 2.408 0.108 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
20 1 23 LEU O 1 31 TYR N 3.000 2.500 3.300 3.003 2.840 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
21 1 33 ASN O 1 37 PHE H 2.000 . 2.300 2.104 2.023 2.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
22 1 33 ASN O 1 37 PHE N 3.000 2.500 3.300 2.943 2.732 3.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
23 1 34 LYS O 1 38 CYS H 2.000 . 2.300 2.008 1.925 2.105 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
24 1 34 LYS O 1 38 CYS N 3.000 2.500 3.300 2.929 2.771 3.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
25 1 35 CYS O 1 39 ASN H 2.000 . 2.300 2.063 1.963 2.320 0.020 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
26 1 35 CYS O 1 39 ASN N 3.000 2.500 3.300 2.964 2.796 3.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
27 1 37 PHE O 1 41 VAL H 2.000 . 2.300 2.329 2.127 2.426 0.126 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
28 1 37 PHE O 1 41 VAL N 3.000 2.500 3.300 3.182 2.939 3.332 0.032 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
29 1 38 CYS O 1 42 VAL H 2.000 . 2.300 1.988 1.896 2.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
30 1 38 CYS O 1 42 VAL N 3.000 2.500 3.300 2.850 2.636 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
31 1 39 ASN O 1 43 GLU H 2.000 . 2.300 2.269 2.012 2.406 0.106 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
32 1 39 ASN O 1 43 GLU N 3.000 2.500 3.300 3.000 2.698 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
33 1 44 SER OG 1 48 LEU H 2.000 . 3.380 2.922 2.299 3.457 0.077 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
34 1 44 SER OG 1 48 LEU N 3.000 2.500 4.380 3.353 2.904 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 8
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