NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
630893 |
5yam   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5yam
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 12
_Distance_constraint_stats_list.Viol_count 240
_Distance_constraint_stats_list.Viol_total 2622.826
_Distance_constraint_stats_list.Viol_max 1.007
_Distance_constraint_stats_list.Viol_rms 0.2883
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5464
_Distance_constraint_stats_list.Viol_average_violations_only 0.5464
_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 11 CYS 33.017 0.963 2 20 [*+*-****************]
1 12 CYS 32.655 1.007 1 20 [+******************-]
1 35 CYS 33.017 0.963 2 20 [*+*-****************]
1 51 CYS 32.655 1.007 1 20 [+******************-]
2 11 CYS 32.781 0.966 3 20 [*-+*****************]
2 12 CYS 32.687 0.998 4 20 [***+**********-*****]
2 35 CYS 32.781 0.966 3 20 [*-+*****************]
2 51 CYS 32.687 0.998 4 20 [***+**********-*****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 CYS SG 1 35 CYS SG . . 1.800 2.747 2.736 2.763 0.963 2 20 [*+*-****************] 1
2 1 11 CYS SG 1 35 CYS CB . . 2.700 3.055 3.019 3.098 0.398 4 0 "[ . 1 . 2]" 1
3 1 11 CYS CB 1 35 CYS SG . . 2.700 3.049 3.015 3.089 0.389 11 0 "[ . 1 . 2]" 1
4 1 12 CYS SG 1 51 CYS SG . . 1.800 2.750 2.722 2.807 1.007 1 20 [+******************-] 1
5 1 12 CYS SG 1 51 CYS CB . . 2.700 3.011 2.929 3.079 0.379 7 0 "[ . 1 . 2]" 1
6 1 12 CYS CB 1 51 CYS SG . . 2.700 3.072 2.954 3.145 0.445 13 0 "[ . 1 . 2]" 1
7 2 11 CYS SG 2 35 CYS SG . . 1.800 2.751 2.735 2.766 0.966 3 20 [*-+*****************] 1
8 2 11 CYS SG 2 35 CYS CB . . 2.700 3.041 3.007 3.069 0.369 18 0 "[ . 1 . 2]" 1
9 2 11 CYS CB 2 35 CYS SG . . 2.700 3.047 2.990 3.086 0.386 17 0 "[ . 1 . 2]" 1
10 2 12 CYS SG 2 51 CYS SG . . 1.800 2.749 2.720 2.798 0.998 4 20 [***+**********-*****] 1
11 2 12 CYS SG 2 51 CYS CB . . 2.700 3.011 2.927 3.052 0.352 20 0 "[ . 1 . 2]" 1
12 2 12 CYS CB 2 51 CYS SG . . 2.700 3.075 2.962 3.159 0.459 13 0 "[ . 1 . 2]" 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 2519
_Distance_constraint_stats_list.Viol_count 4638
_Distance_constraint_stats_list.Viol_total 5730.163
_Distance_constraint_stats_list.Viol_max 0.477
_Distance_constraint_stats_list.Viol_rms 0.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0618
_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 5 GLY 1.692 0.193 11 0 "[ . 1 . 2]"
1 6 SER 0.265 0.100 18 0 "[ . 1 . 2]"
1 7 ASP 1.457 0.125 16 0 "[ . 1 . 2]"
1 8 THR 2.873 0.274 10 0 "[ . 1 . 2]"
1 9 THR 1.572 0.207 12 0 "[ . 1 . 2]"
1 10 PRO 2.867 0.207 12 0 "[ . 1 . 2]"
1 11 CYS 1.622 0.201 1 0 "[ . 1 . 2]"
1 12 CYS 0.155 0.054 11 0 "[ . 1 . 2]"
1 13 PHE 3.521 0.306 9 0 "[ . 1 . 2]"
1 14 ALA 4.097 0.306 9 0 "[ . 1 . 2]"
1 15 TYR 1.179 0.177 6 0 "[ . 1 . 2]"
1 16 LEU 9.330 0.374 2 0 "[ . 1 . 2]"
1 17 SER 5.137 0.374 2 0 "[ . 1 . 2]"
1 18 LEU 1.377 0.121 4 0 "[ . 1 . 2]"
1 19 ALA 2.174 0.180 6 0 "[ . 1 . 2]"
1 20 LEU 0.584 0.087 16 0 "[ . 1 . 2]"
1 21 PRO 0.927 0.107 4 0 "[ . 1 . 2]"
1 22 ARG 2.703 0.188 13 0 "[ . 1 . 2]"
1 23 ALA 1.662 0.203 6 0 "[ . 1 . 2]"
1 24 HIS 4.235 0.191 9 0 "[ . 1 . 2]"
1 25 VAL 7.672 0.186 20 0 "[ . 1 . 2]"
1 26 LYS 2.256 0.154 8 0 "[ . 1 . 2]"
1 27 GLU 6.146 0.293 20 0 "[ . 1 . 2]"
1 28 TYR 6.142 0.313 16 0 "[ . 1 . 2]"
1 29 PHE 4.331 0.313 16 0 "[ . 1 . 2]"
1 30 TYR 0.069 0.034 13 0 "[ . 1 . 2]"
1 31 THR 2.966 0.173 5 0 "[ . 1 . 2]"
1 32 SER 0.948 0.165 10 0 "[ . 1 . 2]"
1 33 SER 0.822 0.120 7 0 "[ . 1 . 2]"
1 34 LYS 0.062 0.034 17 0 "[ . 1 . 2]"
1 35 CYS 1.097 0.120 7 0 "[ . 1 . 2]"
1 36 SER 0.207 0.091 3 0 "[ . 1 . 2]"
1 37 ASN 0.524 0.112 11 0 "[ . 1 . 2]"
1 38 LEU 2.619 0.220 12 0 "[ . 1 . 2]"
1 39 ALA 2.828 0.167 2 0 "[ . 1 . 2]"
1 40 VAL 8.162 0.221 17 0 "[ . 1 . 2]"
1 41 VAL 4.062 0.186 2 0 "[ . 1 . 2]"
1 42 PHE 8.252 0.186 2 0 "[ . 1 . 2]"
1 43 VAL 6.578 0.293 20 0 "[ . 1 . 2]"
1 44 THR 4.154 0.209 4 0 "[ . 1 . 2]"
1 45 ARG 3.057 0.193 15 0 "[ . 1 . 2]"
1 46 ARG 2.449 0.245 5 0 "[ . 1 . 2]"
1 47 ASN 1.340 0.245 5 0 "[ . 1 . 2]"
1 48 ARG 5.609 0.209 4 0 "[ . 1 . 2]"
1 49 GLN 9.143 0.452 1 0 "[ . 1 . 2]"
1 50 VAL 11.618 0.452 1 0 "[ . 1 . 2]"
1 51 CYS 1.698 0.251 11 0 "[ . 1 . 2]"
1 52 ALA 4.769 0.221 3 0 "[ . 1 . 2]"
1 53 ASN 4.247 0.196 5 0 "[ . 1 . 2]"
1 54 PRO 3.703 0.220 12 0 "[ . 1 . 2]"
1 55 GLU 2.127 0.154 14 0 "[ . 1 . 2]"
1 56 LYS 3.950 0.171 12 0 "[ . 1 . 2]"
1 57 LYS 1.442 0.285 1 0 "[ . 1 . 2]"
1 58 TRP 5.121 0.285 1 0 "[ . 1 . 2]"
1 59 VAL 6.967 0.171 5 0 "[ . 1 . 2]"
1 60 GLN 10.156 0.168 12 0 "[ . 1 . 2]"
1 61 GLU 12.901 0.253 12 0 "[ . 1 . 2]"
1 62 TYR 12.372 0.203 6 0 "[ . 1 . 2]"
1 63 ILE 7.797 0.159 20 0 "[ . 1 . 2]"
1 64 ASN 10.169 0.240 20 0 "[ . 1 . 2]"
1 65 TYR 8.718 0.173 9 0 "[ . 1 . 2]"
1 66 LEU 7.689 0.436 12 0 "[ . 1 . 2]"
1 67 GLU 3.050 0.140 16 0 "[ . 1 . 2]"
1 68 MET 5.833 0.436 1 0 "[ . 1 . 2]"
1 69 SER 4.844 0.436 1 0 "[ . 1 . 2]"
2 5 GLY 1.587 0.306 6 0 "[ . 1 . 2]"
2 6 SER 2.138 0.188 7 0 "[ . 1 . 2]"
2 7 ASP 3.164 0.251 11 0 "[ . 1 . 2]"
2 8 THR 3.265 0.369 17 0 "[ . 1 . 2]"
2 9 THR 1.596 0.212 15 0 "[ . 1 . 2]"
2 10 PRO 3.382 0.212 15 0 "[ . 1 . 2]"
2 11 CYS 1.604 0.161 7 0 "[ . 1 . 2]"
2 12 CYS 0.563 0.127 7 0 "[ . 1 . 2]"
2 13 PHE 2.954 0.293 2 0 "[ . 1 . 2]"
2 14 ALA 4.111 0.222 9 0 "[ . 1 . 2]"
2 15 TYR 0.887 0.134 10 0 "[ . 1 . 2]"
2 16 LEU 8.725 0.292 20 0 "[ . 1 . 2]"
2 17 SER 5.248 0.292 20 0 "[ . 1 . 2]"
2 18 LEU 1.989 0.191 20 0 "[ . 1 . 2]"
2 19 ALA 3.674 0.202 12 0 "[ . 1 . 2]"
2 20 LEU 0.713 0.083 2 0 "[ . 1 . 2]"
2 21 PRO 1.161 0.119 12 0 "[ . 1 . 2]"
2 22 ARG 1.879 0.205 15 0 "[ . 1 . 2]"
2 23 ALA 1.284 0.370 7 0 "[ . 1 . 2]"
2 24 HIS 4.434 0.197 9 0 "[ . 1 . 2]"
2 25 VAL 7.923 0.197 18 0 "[ . 1 . 2]"
2 26 LYS 2.642 0.148 5 0 "[ . 1 . 2]"
2 27 GLU 5.702 0.295 4 0 "[ . 1 . 2]"
2 28 TYR 6.450 0.301 4 0 "[ . 1 . 2]"
2 29 PHE 3.560 0.301 4 0 "[ . 1 . 2]"
2 30 TYR 0.192 0.041 17 0 "[ . 1 . 2]"
2 31 THR 2.696 0.151 13 0 "[ . 1 . 2]"
2 32 SER 1.859 0.200 10 0 "[ . 1 . 2]"
2 33 SER 0.579 0.087 1 0 "[ . 1 . 2]"
2 34 LYS 0.221 0.145 10 0 "[ . 1 . 2]"
2 35 CYS 1.002 0.111 8 0 "[ . 1 . 2]"
2 36 SER 0.129 0.098 13 0 "[ . 1 . 2]"
2 37 ASN 0.762 0.101 7 0 "[ . 1 . 2]"
2 38 LEU 2.982 0.199 5 0 "[ . 1 . 2]"
2 39 ALA 2.824 0.199 5 0 "[ . 1 . 2]"
2 40 VAL 9.107 0.250 16 0 "[ . 1 . 2]"
2 41 VAL 4.046 0.189 11 0 "[ . 1 . 2]"
2 42 PHE 8.163 0.189 11 0 "[ . 1 . 2]"
2 43 VAL 6.205 0.295 4 0 "[ . 1 . 2]"
2 44 THR 4.493 0.181 17 0 "[ . 1 . 2]"
2 45 ARG 3.215 0.221 11 0 "[ . 1 . 2]"
2 46 ARG 2.698 0.251 5 0 "[ . 1 . 2]"
2 47 ASN 2.590 0.251 5 0 "[ . 1 . 2]"
2 48 ARG 5.686 0.221 11 0 "[ . 1 . 2]"
2 49 GLN 7.764 0.477 10 0 "[ . 1 . 2]"
2 50 VAL 9.731 0.477 10 0 "[ . 1 . 2]"
2 51 CYS 1.379 0.127 7 0 "[ . 1 . 2]"
2 52 ALA 5.614 0.186 9 0 "[ . 1 . 2]"
2 53 ASN 4.438 0.293 2 0 "[ . 1 . 2]"
2 54 PRO 3.662 0.167 10 0 "[ . 1 . 2]"
2 55 GLU 2.387 0.155 18 0 "[ . 1 . 2]"
2 56 LYS 3.870 0.167 10 0 "[ . 1 . 2]"
2 57 LYS 1.225 0.160 11 0 "[ . 1 . 2]"
2 58 TRP 5.433 0.202 12 0 "[ . 1 . 2]"
2 59 VAL 6.228 0.163 3 0 "[ . 1 . 2]"
2 60 GLN 9.373 0.163 3 0 "[ . 1 . 2]"
2 61 GLU 12.214 0.346 2 0 "[ . 1 . 2]"
2 62 TYR 12.834 0.370 7 0 "[ . 1 . 2]"
2 63 ILE 8.048 0.170 16 0 "[ . 1 . 2]"
2 64 ASN 10.414 0.205 2 0 "[ . 1 . 2]"
2 65 TYR 7.858 0.197 11 0 "[ . 1 . 2]"
2 66 LEU 8.142 0.449 13 0 "[ . 1 . 2]"
2 67 GLU 3.354 0.152 7 0 "[ . 1 . 2]"
2 68 MET 5.143 0.442 1 0 "[ . 1 . 2]"
2 69 SER 5.397 0.442 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 57 LYS HA 1 58 TRP H 3.500 . 3.500 3.521 3.491 3.547 0.047 12 0 "[ . 1 . 2]" 2
2 1 57 LYS HA 1 60 GLN H 3.500 . 3.500 3.292 3.079 3.519 0.019 15 0 "[ . 1 . 2]" 2
3 1 57 LYS HA 1 61 GLU H . . 4.190 4.050 3.904 4.198 0.008 7 0 "[ . 1 . 2]" 2
4 1 57 LYS H 1 58 TRP H 2.800 . 2.800 2.720 2.632 2.844 0.044 12 0 "[ . 1 . 2]" 2
5 1 57 LYS H 1 59 VAL H 4.250 . 4.250 4.202 4.096 4.274 0.024 3 0 "[ . 1 . 2]" 2
6 1 57 LYS H 1 60 GLN H 4.900 . 4.900 4.805 4.684 4.923 0.023 5 0 "[ . 1 . 2]" 2
7 2 57 LYS HA 2 58 TRP H 3.500 . 3.500 3.521 3.471 3.561 0.061 19 0 "[ . 1 . 2]" 2
8 2 57 LYS HA 2 60 GLN H 3.500 . 3.500 3.198 2.953 3.466 . 0 0 "[ . 1 . 2]" 2
9 2 57 LYS HA 2 61 GLU H . . 4.190 4.045 3.912 4.167 . 0 0 "[ . 1 . 2]" 2
10 2 57 LYS H 2 58 TRP H 2.800 . 2.800 2.719 2.606 2.840 0.040 19 0 "[ . 1 . 2]" 2
11 2 57 LYS H 2 59 VAL H 4.250 . 4.250 4.205 4.122 4.290 0.040 5 0 "[ . 1 . 2]" 2
12 2 57 LYS H 2 60 GLN H 4.900 . 4.900 4.787 4.618 4.881 . 0 0 "[ . 1 . 2]" 2
13 1 58 TRP HA 1 59 VAL H 3.500 . 3.500 3.484 3.469 3.510 0.010 7 0 "[ . 1 . 2]" 2
14 1 58 TRP HA 1 60 GLN H 4.400 . 4.400 4.318 4.201 4.404 0.004 16 0 "[ . 1 . 2]" 2
15 1 58 TRP HA 1 61 GLU H 3.500 . 3.500 3.389 3.197 3.563 0.063 16 0 "[ . 1 . 2]" 2
16 1 58 TRP HA 1 62 TYR H 4.400 . 4.400 3.938 3.777 4.052 . 0 0 "[ . 1 . 2]" 2
17 1 58 TRP H 1 59 VAL H 2.500 . 2.500 2.614 2.554 2.671 0.171 5 0 "[ . 1 . 2]" 2
18 1 58 TRP H 1 60 GLN H 4.100 . 4.100 4.044 3.937 4.119 0.019 5 0 "[ . 1 . 2]" 2
19 1 58 TRP H 1 61 GLU H 4.900 . 4.900 4.644 4.577 4.696 . 0 0 "[ . 1 . 2]" 2
20 2 58 TRP HA 2 59 VAL H 3.500 . 3.500 3.481 3.460 3.501 0.001 5 0 "[ . 1 . 2]" 2
21 2 58 TRP HA 2 60 GLN H 4.400 . 4.400 4.272 4.117 4.409 0.009 14 0 "[ . 1 . 2]" 2
22 2 58 TRP HA 2 61 GLU H 3.500 . 3.500 3.298 3.098 3.565 0.065 14 0 "[ . 1 . 2]" 2
23 2 58 TRP HA 2 62 TYR H 4.400 . 4.400 3.956 3.827 4.150 . 0 0 "[ . 1 . 2]" 2
24 2 58 TRP H 2 59 VAL H 2.500 . 2.500 2.593 2.524 2.658 0.158 13 0 "[ . 1 . 2]" 2
25 2 58 TRP H 2 60 GLN H 4.100 . 4.100 4.011 3.876 4.110 0.010 11 0 "[ . 1 . 2]" 2
26 2 58 TRP H 2 61 GLU H 4.900 . 4.900 4.612 4.526 4.715 . 0 0 "[ . 1 . 2]" 2
27 1 59 VAL HA 1 60 GLN H 3.500 . 3.500 3.496 3.485 3.506 0.006 1 0 "[ . 1 . 2]" 2
28 1 59 VAL HA 1 61 GLU H 4.400 . 4.400 4.426 4.356 4.495 0.095 1 0 "[ . 1 . 2]" 2
29 1 59 VAL HA 1 62 TYR H 3.500 . 3.500 3.497 3.401 3.585 0.085 13 0 "[ . 1 . 2]" 2
30 1 59 VAL HA 1 63 ILE H 4.400 . 4.400 3.859 3.705 3.966 . 0 0 "[ . 1 . 2]" 2
31 1 59 VAL H 1 60 GLN H 2.500 . 2.500 2.526 2.474 2.571 0.071 7 0 "[ . 1 . 2]" 2
32 1 59 VAL H 1 61 GLU H 4.000 . 4.000 4.004 3.917 4.049 0.049 8 0 "[ . 1 . 2]" 2
33 2 59 VAL HA 2 60 GLN H 3.500 . 3.500 3.499 3.488 3.509 0.009 11 0 "[ . 1 . 2]" 2
34 2 59 VAL HA 2 61 GLU H 4.400 . 4.400 4.391 4.168 4.484 0.084 6 0 "[ . 1 . 2]" 2
35 2 59 VAL HA 2 62 TYR H 3.500 . 3.500 3.456 3.342 3.517 0.017 11 0 "[ . 1 . 2]" 2
36 2 59 VAL HA 2 63 ILE H 4.400 . 4.400 3.891 3.775 4.002 . 0 0 "[ . 1 . 2]" 2
37 2 59 VAL H 2 60 GLN H 2.500 . 2.500 2.523 2.474 2.555 0.055 12 0 "[ . 1 . 2]" 2
38 2 59 VAL H 2 61 GLU H 4.000 . 4.000 3.974 3.850 4.077 0.077 18 0 "[ . 1 . 2]" 2
39 1 60 GLN HA 1 61 GLU H 3.500 . 3.500 3.525 3.512 3.533 0.033 1 0 "[ . 1 . 2]" 2
40 1 60 GLN HA 1 62 TYR H 4.400 . 4.400 4.494 4.420 4.534 0.134 3 0 "[ . 1 . 2]" 2
41 1 60 GLN HA 1 63 ILE H 3.500 . 3.500 3.483 3.360 3.567 0.067 11 0 "[ . 1 . 2]" 2
42 1 60 GLN HA 1 64 ASN H . . 4.190 3.819 3.678 3.969 . 0 0 "[ . 1 . 2]" 2
43 1 60 GLN H 1 61 GLU H 2.500 . 2.500 2.570 2.534 2.610 0.110 1 0 "[ . 1 . 2]" 2
44 1 60 GLN H 1 62 TYR H 4.000 . 4.000 4.062 4.026 4.101 0.101 19 0 "[ . 1 . 2]" 2
45 2 60 GLN HA 2 61 GLU H 3.500 . 3.500 3.523 3.504 3.538 0.038 14 0 "[ . 1 . 2]" 2
46 2 60 GLN HA 2 62 TYR H 4.400 . 4.400 4.473 4.428 4.500 0.100 16 0 "[ . 1 . 2]" 2
47 2 60 GLN HA 2 63 ILE H 3.500 . 3.500 3.458 3.308 3.579 0.079 18 0 "[ . 1 . 2]" 2
48 2 60 GLN HA 2 64 ASN H . . 4.190 3.787 3.600 3.953 . 0 0 "[ . 1 . 2]" 2
49 2 60 GLN H 2 61 GLU H 2.500 . 2.500 2.566 2.525 2.605 0.105 6 0 "[ . 1 . 2]" 2
50 2 60 GLN H 2 62 TYR H 4.000 . 4.000 4.057 3.996 4.126 0.126 2 0 "[ . 1 . 2]" 2
51 1 61 GLU HA 1 62 TYR H 3.500 . 3.500 3.522 3.508 3.539 0.039 13 0 "[ . 1 . 2]" 2
52 1 61 GLU HA 1 63 ILE H 4.400 . 4.400 4.441 4.309 4.496 0.096 11 0 "[ . 1 . 2]" 2
53 1 61 GLU HA 1 64 ASN H 3.650 . 3.650 3.555 3.414 3.682 0.032 11 0 "[ . 1 . 2]" 2
54 1 61 GLU HA 1 65 TYR H 4.400 . 4.400 4.002 3.893 4.103 . 0 0 "[ . 1 . 2]" 2
55 1 61 GLU H 1 62 TYR H 2.500 . 2.500 2.630 2.596 2.657 0.157 3 0 "[ . 1 . 2]" 2
56 1 61 GLU H 1 63 ILE H 4.000 . 4.000 4.012 3.949 4.035 0.035 10 0 "[ . 1 . 2]" 2
57 2 61 GLU HA 2 62 TYR H 3.500 . 3.500 3.518 3.494 3.532 0.032 15 0 "[ . 1 . 2]" 2
58 2 61 GLU HA 2 63 ILE H 4.400 . 4.400 4.441 4.241 4.514 0.114 7 0 "[ . 1 . 2]" 2
59 2 61 GLU HA 2 64 ASN H 3.650 . 3.650 3.556 3.428 3.660 0.010 11 0 "[ . 1 . 2]" 2
60 2 61 GLU HA 2 65 TYR H 4.400 . 4.400 3.962 3.793 4.105 . 0 0 "[ . 1 . 2]" 2
61 2 61 GLU H 2 62 TYR H 2.500 . 2.500 2.624 2.585 2.656 0.156 8 0 "[ . 1 . 2]" 2
62 2 61 GLU H 2 63 ILE H 4.000 . 4.000 4.011 3.897 4.059 0.059 14 0 "[ . 1 . 2]" 2
63 1 62 TYR HA 1 63 ILE H 3.500 . 3.500 3.505 3.495 3.517 0.017 14 0 "[ . 1 . 2]" 2
64 1 62 TYR HA 1 64 ASN H 4.500 . 4.500 4.456 4.310 4.527 0.027 12 0 "[ . 1 . 2]" 2
65 1 62 TYR HA 1 65 TYR H 3.500 . 3.500 3.310 3.199 3.426 . 0 0 "[ . 1 . 2]" 2
66 1 62 TYR HA 1 66 LEU H 4.400 . 4.400 3.733 3.587 3.847 . 0 0 "[ . 1 . 2]" 2
67 1 62 TYR H 1 63 ILE H 2.500 . 2.500 2.573 2.524 2.598 0.098 9 0 "[ . 1 . 2]" 2
68 1 62 TYR H 1 64 ASN H 4.150 . 4.150 4.132 4.048 4.208 0.058 20 0 "[ . 1 . 2]" 2
69 2 62 TYR HA 2 63 ILE H 3.500 . 3.500 3.504 3.491 3.516 0.016 18 0 "[ . 1 . 2]" 2
70 2 62 TYR HA 2 64 ASN H 4.500 . 4.500 4.485 4.430 4.565 0.065 7 0 "[ . 1 . 2]" 2
71 2 62 TYR HA 2 65 TYR H 3.500 . 3.500 3.363 3.256 3.520 0.020 7 0 "[ . 1 . 2]" 2
72 2 62 TYR HA 2 66 LEU H 4.400 . 4.400 3.750 3.628 3.873 . 0 0 "[ . 1 . 2]" 2
73 2 62 TYR H 2 63 ILE H 2.500 . 2.500 2.576 2.547 2.607 0.107 9 0 "[ . 1 . 2]" 2
74 2 62 TYR H 2 64 ASN H 4.150 . 4.150 4.139 4.045 4.220 0.070 16 0 "[ . 1 . 2]" 2
75 1 63 ILE HA 1 64 ASN H 3.500 . 3.500 3.532 3.524 3.551 0.051 8 0 "[ . 1 . 2]" 2
76 1 63 ILE HA 1 65 TYR H 4.400 . 4.400 4.317 4.206 4.384 . 0 0 "[ . 1 . 2]" 2
77 1 63 ILE HA 1 66 LEU H 3.500 . 3.500 3.523 3.429 3.621 0.121 13 0 "[ . 1 . 2]" 2
78 1 63 ILE HA 1 67 GLU H . . 3.940 3.882 3.784 3.988 0.048 3 0 "[ . 1 . 2]" 2
79 1 63 ILE H 1 64 ASN H 2.650 . 2.650 2.662 2.612 2.698 0.048 13 0 "[ . 1 . 2]" 2
80 1 63 ILE H 1 65 TYR H 4.000 . 4.000 3.955 3.886 4.023 0.023 5 0 "[ . 1 . 2]" 2
81 2 63 ILE HA 2 64 ASN H 3.500 . 3.500 3.530 3.516 3.550 0.050 2 0 "[ . 1 . 2]" 2
82 2 63 ILE HA 2 65 TYR H 4.400 . 4.400 4.331 4.214 4.435 0.035 13 0 "[ . 1 . 2]" 2
83 2 63 ILE HA 2 66 LEU H 3.500 . 3.500 3.522 3.383 3.616 0.116 13 0 "[ . 1 . 2]" 2
84 2 63 ILE HA 2 67 GLU H . . 3.940 3.876 3.753 3.980 0.040 20 0 "[ . 1 . 2]" 2
85 2 63 ILE H 2 64 ASN H 2.650 . 2.650 2.664 2.624 2.686 0.036 15 0 "[ . 1 . 2]" 2
86 2 63 ILE H 2 65 TYR H 4.000 . 4.000 3.967 3.904 4.009 0.009 8 0 "[ . 1 . 2]" 2
87 1 64 ASN HA 1 65 TYR H 3.500 . 3.500 3.494 3.472 3.507 0.007 14 0 "[ . 1 . 2]" 2
88 1 64 ASN HA 1 67 GLU H 3.650 . 3.650 3.611 3.479 3.747 0.097 15 0 "[ . 1 . 2]" 2
89 1 64 ASN H 1 65 TYR H 2.500 . 2.500 2.607 2.580 2.638 0.138 14 0 "[ . 1 . 2]" 2
90 1 64 ASN H 1 66 LEU H 4.150 . 4.150 4.146 4.077 4.222 0.072 11 0 "[ . 1 . 2]" 2
91 2 64 ASN HA 2 65 TYR H 3.500 . 3.500 3.496 3.464 3.509 0.009 20 0 "[ . 1 . 2]" 2
92 2 64 ASN HA 2 67 GLU H 3.650 . 3.650 3.614 3.450 3.745 0.095 11 0 "[ . 1 . 2]" 2
93 2 64 ASN H 2 65 TYR H 2.500 . 2.500 2.610 2.577 2.632 0.132 18 0 "[ . 1 . 2]" 2
94 2 64 ASN H 2 66 LEU H 4.150 . 4.150 4.123 4.023 4.222 0.072 14 0 "[ . 1 . 2]" 2
95 1 65 TYR HA 1 66 LEU H 3.500 . 3.500 3.531 3.505 3.551 0.051 11 0 "[ . 1 . 2]" 2
96 1 65 TYR HA 1 68 MET H 3.650 . 3.650 3.656 3.553 3.730 0.080 13 0 "[ . 1 . 2]" 2
97 1 65 TYR H 1 66 LEU H 2.500 . 2.500 2.516 2.454 2.566 0.066 6 0 "[ . 1 . 2]" 2
98 1 65 TYR H 1 67 GLU H 4.000 . 4.000 3.915 3.819 3.980 . 0 0 "[ . 1 . 2]" 2
99 2 65 TYR HA 2 66 LEU H 3.500 . 3.500 3.528 3.499 3.557 0.057 11 0 "[ . 1 . 2]" 2
100 2 65 TYR HA 2 68 MET H 3.650 . 3.650 3.609 3.472 3.718 0.068 2 0 "[ . 1 . 2]" 2
101 2 65 TYR H 2 66 LEU H 2.500 . 2.500 2.503 2.413 2.563 0.063 12 0 "[ . 1 . 2]" 2
102 2 65 TYR H 2 67 GLU H 4.000 . 4.000 3.919 3.859 3.997 . 0 0 "[ . 1 . 2]" 2
103 1 8 THR MG 2 49 GLN HB2 3.700 . 3.700 3.509 2.323 3.974 0.274 10 0 "[ . 1 . 2]" 2
104 1 8 THR MG 2 49 GLN HB3 4.460 . 4.460 3.958 2.644 4.561 0.101 1 0 "[ . 1 . 2]" 2
105 1 49 GLN HB2 2 8 THR MG 3.700 . 3.700 3.628 3.090 4.069 0.369 17 0 "[ . 1 . 2]" 2
106 1 49 GLN HB3 2 8 THR MG 4.460 . 4.460 3.779 3.130 4.535 0.075 8 0 "[ . 1 . 2]" 2
107 1 10 PRO HB2 1 32 SER H 4.370 . 4.370 4.393 4.165 4.535 0.165 10 0 "[ . 1 . 2]" 2
108 2 10 PRO HB2 2 32 SER H 4.370 . 4.370 4.419 4.120 4.570 0.200 10 0 "[ . 1 . 2]" 2
109 1 5 GLY H 2 16 LEU MD1 4.350 . 4.350 4.399 3.838 4.543 0.193 11 0 "[ . 1 . 2]" 2
110 1 16 LEU MD1 2 5 GLY H 4.350 . 4.350 4.350 3.866 4.656 0.306 6 0 "[ . 1 . 2]" 2
111 1 6 SER HA 2 14 ALA MB 4.190 . 4.190 3.288 2.615 4.201 0.011 2 0 "[ . 1 . 2]" 2
112 1 6 SER HA 2 50 VAL QG 5.500 . 5.500 4.772 4.318 5.329 . 0 0 "[ . 1 . 2]" 2
113 1 6 SER HB2 1 7 ASP H 4.490 . 4.490 4.413 4.087 4.590 0.100 18 0 "[ . 1 . 2]" 2
114 1 6 SER HB3 1 7 ASP H 4.490 . 4.490 4.185 3.610 4.494 0.004 15 0 "[ . 1 . 2]" 2
115 1 6 SER QB 2 14 ALA MB 5.320 . 5.320 2.515 1.944 3.708 . 0 0 "[ . 1 . 2]" 2
116 1 6 SER QB 2 50 VAL QG 3.800 . 3.800 3.077 2.435 3.815 0.015 15 0 "[ . 1 . 2]" 2
117 1 6 SER QB 2 51 CYS H 4.800 . 4.800 3.645 3.030 4.692 . 0 0 "[ . 1 . 2]" 2
118 1 7 ASP H 2 50 VAL QG 5.440 . 5.440 4.620 3.558 5.131 . 0 0 "[ . 1 . 2]" 2
119 1 7 ASP H 2 51 CYS H 4.950 . 4.950 4.283 3.953 4.665 . 0 0 "[ . 1 . 2]" 2
120 1 7 ASP H 1 7 ASP HB3 3.790 . 3.790 3.172 2.818 3.583 . 0 0 "[ . 1 . 2]" 2
121 1 7 ASP H 1 7 ASP QB 3.300 . 3.300 3.023 2.728 3.314 0.014 5 0 "[ . 1 . 2]" 2
122 1 7 ASP HA 2 50 VAL HA 3.960 . 3.960 2.525 1.962 3.152 . 0 0 "[ . 1 . 2]" 2
123 1 7 ASP HA 2 50 VAL MG2 4.770 . 4.770 3.501 2.440 4.065 . 0 0 "[ . 1 . 2]" 2
124 1 7 ASP HA 2 50 VAL QG 3.930 . 3.930 3.422 2.426 3.946 0.016 4 0 "[ . 1 . 2]" 2
125 1 7 ASP HA 2 51 CYS H 3.820 . 3.820 2.139 1.890 2.450 . 0 0 "[ . 1 . 2]" 2
126 1 7 ASP HB2 2 51 CYS H 4.340 . 4.340 4.150 3.184 4.445 0.105 7 0 "[ . 1 . 2]" 2
127 1 7 ASP HB2 1 8 THR H 4.220 . 4.220 2.133 1.755 3.901 . 0 0 "[ . 1 . 2]" 2
128 1 7 ASP HB3 2 51 CYS H 4.020 . 4.020 3.775 2.832 4.145 0.125 16 0 "[ . 1 . 2]" 2
129 1 7 ASP HB3 1 8 THR H 4.220 . 4.220 3.531 3.234 3.906 . 0 0 "[ . 1 . 2]" 2
130 1 7 ASP QB 2 41 VAL QG 5.180 . 5.180 4.207 3.706 4.720 . 0 0 "[ . 1 . 2]" 2
131 1 7 ASP QB 2 50 VAL H 4.860 . 4.860 4.475 3.779 4.901 0.041 3 0 "[ . 1 . 2]" 2
132 1 7 ASP QB 2 50 VAL HB 5.340 . 5.340 4.127 3.467 4.695 . 0 0 "[ . 1 . 2]" 2
133 1 7 ASP QB 2 50 VAL QG 3.750 . 3.750 3.268 2.071 3.776 0.026 4 0 "[ . 1 . 2]" 2
134 1 8 THR H 2 41 VAL QG 5.500 . 5.500 3.715 3.284 5.171 . 0 0 "[ . 1 . 2]" 2
135 1 8 THR H 2 51 CYS H 6.000 . 6.000 4.427 3.839 5.371 . 0 0 "[ . 1 . 2]" 2
136 1 8 THR H 1 8 THR HB 4.200 . 4.200 3.495 3.095 3.848 . 0 0 "[ . 1 . 2]" 2
137 1 8 THR H 1 8 THR MG 3.800 . 3.800 2.671 2.268 3.612 . 0 0 "[ . 1 . 2]" 2
138 1 8 THR H 1 9 THR H 4.680 . 4.680 4.412 4.076 4.574 . 0 0 "[ . 1 . 2]" 2
139 1 8 THR HA 2 10 PRO HB2 5.040 . 5.040 4.584 4.251 4.991 . 0 0 "[ . 1 . 2]" 2
140 1 8 THR HA 2 10 PRO HB3 6.000 . 6.000 4.777 4.115 5.622 . 0 0 "[ . 1 . 2]" 2
141 1 8 THR HA 2 11 CYS H 4.520 . 4.520 4.345 4.073 4.585 0.065 11 0 "[ . 1 . 2]" 2
142 1 8 THR HA 2 41 VAL QG 4.910 . 4.910 3.754 3.372 4.513 . 0 0 "[ . 1 . 2]" 2
143 1 8 THR HA 1 8 THR MG 3.390 . 3.390 2.185 2.133 2.229 . 0 0 "[ . 1 . 2]" 2
144 1 8 THR HA 1 9 THR H 3.090 . 3.090 2.117 2.083 2.166 . 0 0 "[ . 1 . 2]" 2
145 1 8 THR HA 1 9 THR HA 4.620 . 4.620 4.369 4.336 4.390 . 0 0 "[ . 1 . 2]" 2
146 1 8 THR HB 2 10 PRO HA 4.800 . 4.800 3.788 3.349 4.702 . 0 0 "[ . 1 . 2]" 2
147 1 8 THR HB 2 10 PRO HB2 4.270 . 4.270 3.850 2.825 4.380 0.110 10 0 "[ . 1 . 2]" 2
148 1 8 THR HB 2 10 PRO HB3 4.220 . 4.220 3.146 2.422 4.231 0.011 10 0 "[ . 1 . 2]" 2
149 1 8 THR HB 2 11 CYS H 5.130 . 5.130 4.709 4.328 5.251 0.121 10 0 "[ . 1 . 2]" 2
150 1 8 THR HB 2 41 VAL QG 5.500 . 5.500 4.427 3.999 5.345 . 0 0 "[ . 1 . 2]" 2
151 1 8 THR HB 1 9 THR H 4.070 . 4.070 3.584 3.307 3.812 . 0 0 "[ . 1 . 2]" 2
152 1 8 THR MG 2 10 PRO HA 4.530 . 4.530 3.819 3.070 4.349 . 0 0 "[ . 1 . 2]" 2
153 1 8 THR MG 2 10 PRO HB2 3.930 . 3.930 2.657 2.222 2.973 . 0 0 "[ . 1 . 2]" 2
154 1 8 THR MG 2 10 PRO HB3 3.930 . 3.930 2.921 2.470 3.559 . 0 0 "[ . 1 . 2]" 2
155 1 8 THR MG 2 11 CYS H 4.440 . 4.440 4.305 3.308 4.601 0.161 7 0 "[ . 1 . 2]" 2
156 1 8 THR MG 2 41 VAL QG 3.370 . 3.370 2.215 1.908 3.038 . 0 0 "[ . 1 . 2]" 2
157 1 8 THR MG 2 49 GLN HE21 3.820 . 3.820 2.733 2.349 3.668 . 0 0 "[ . 1 . 2]" 2
158 1 8 THR MG 2 49 GLN HE22 4.030 . 4.030 2.557 1.901 3.639 . 0 0 "[ . 1 . 2]" 2
159 1 8 THR MG 2 49 GLN QB 5.340 . 5.340 3.230 2.181 3.624 . 0 0 "[ . 1 . 2]" 2
160 1 8 THR MG 2 49 GLN QG 5.500 . 5.500 3.941 2.858 4.875 . 0 0 "[ . 1 . 2]" 2
161 1 9 THR H 2 10 PRO HA 4.360 . 4.360 4.038 3.623 4.220 . 0 0 "[ . 1 . 2]" 2
162 1 9 THR H 2 10 PRO HB3 5.450 . 5.450 5.127 4.485 5.464 0.014 10 0 "[ . 1 . 2]" 2
163 1 9 THR H 2 11 CYS H 3.420 . 3.420 3.068 2.863 3.242 . 0 0 "[ . 1 . 2]" 2
164 1 9 THR H 2 11 CYS QB 4.990 . 4.990 4.507 4.322 4.626 . 0 0 "[ . 1 . 2]" 2
165 1 9 THR H 1 9 THR HB 3.200 . 3.200 2.564 2.450 2.711 . 0 0 "[ . 1 . 2]" 2
166 1 9 THR HA 1 10 PRO HB3 5.110 . 5.110 5.114 4.912 5.317 0.207 12 0 "[ . 1 . 2]" 2
167 1 9 THR HA 1 9 THR MG 3.710 . 3.710 2.350 2.283 2.439 . 0 0 "[ . 1 . 2]" 2
168 1 9 THR HB 2 11 CYS H 3.950 . 3.950 3.571 3.138 3.990 0.040 10 0 "[ . 1 . 2]" 2
169 1 9 THR MG 2 11 CYS H 4.650 . 4.650 4.416 3.954 4.686 0.036 10 0 "[ . 1 . 2]" 2
170 1 9 THR MG 1 32 SER H 4.910 . 4.910 4.093 3.428 4.481 . 0 0 "[ . 1 . 2]" 2
171 1 9 THR MG 1 32 SER HA 4.870 . 4.870 4.460 4.250 4.789 . 0 0 "[ . 1 . 2]" 2
172 1 9 THR MG 1 32 SER QB 3.960 . 3.960 2.211 1.864 2.556 . 0 0 "[ . 1 . 2]" 2
173 1 9 THR MG 1 33 SER H 5.360 . 5.360 4.773 4.162 5.321 . 0 0 "[ . 1 . 2]" 2
174 1 9 THR MG 1 34 LYS H 4.660 . 4.660 3.571 3.128 4.220 . 0 0 "[ . 1 . 2]" 2
175 1 9 THR MG 1 34 LYS QG 4.070 . 4.070 2.849 2.170 3.468 . 0 0 "[ . 1 . 2]" 2
176 1 9 THR MG 1 35 CYS H 4.410 . 4.410 3.985 3.144 4.350 . 0 0 "[ . 1 . 2]" 2
177 1 10 PRO HA 2 8 THR HB 4.800 . 4.800 3.825 3.247 4.632 . 0 0 "[ . 1 . 2]" 2
178 1 10 PRO HA 2 8 THR MG 4.530 . 4.530 3.871 2.903 4.532 0.002 11 0 "[ . 1 . 2]" 2
179 1 10 PRO HA 2 9 THR H 4.360 . 4.360 4.086 3.867 4.266 . 0 0 "[ . 1 . 2]" 2
180 1 10 PRO HA 1 11 CYS H 3.150 . 3.150 2.160 2.138 2.200 . 0 0 "[ . 1 . 2]" 2
181 1 10 PRO HB2 2 8 THR HA 5.040 . 5.040 4.658 4.225 5.045 0.005 8 0 "[ . 1 . 2]" 2
182 1 10 PRO HB2 2 8 THR HB 4.270 . 4.270 3.844 2.847 4.388 0.118 10 0 "[ . 1 . 2]" 2
183 1 10 PRO HB2 2 8 THR MG 3.930 . 3.930 2.729 2.164 3.146 . 0 0 "[ . 1 . 2]" 2
184 1 10 PRO HB2 1 11 CYS H 4.070 . 4.070 3.918 3.702 4.117 0.047 16 0 "[ . 1 . 2]" 2
185 1 10 PRO HB2 1 41 VAL QG 5.500 . 5.500 4.063 3.501 4.924 . 0 0 "[ . 1 . 2]" 2
186 1 10 PRO HB3 2 8 THR HA 6.000 . 6.000 4.828 3.967 5.567 . 0 0 "[ . 1 . 2]" 2
187 1 10 PRO HB3 2 8 THR HB 4.220 . 4.220 3.159 1.994 4.081 . 0 0 "[ . 1 . 2]" 2
188 1 10 PRO HB3 2 8 THR MG 3.930 . 3.930 2.995 2.481 3.537 . 0 0 "[ . 1 . 2]" 2
189 1 10 PRO HB3 2 9 THR H 5.450 . 5.450 5.165 4.684 5.532 0.082 17 0 "[ . 1 . 2]" 2
190 1 10 PRO HB3 1 11 CYS H 4.200 . 4.200 4.122 3.962 4.251 0.051 20 0 "[ . 1 . 2]" 2
191 1 11 CYS H 2 8 THR HA 4.520 . 4.520 4.324 3.863 4.551 0.031 7 0 "[ . 1 . 2]" 2
192 1 11 CYS H 2 8 THR HB 5.130 . 5.130 4.691 4.124 5.331 0.201 1 0 "[ . 1 . 2]" 2
193 1 11 CYS H 2 8 THR MG 4.440 . 4.440 4.298 3.179 4.579 0.139 11 0 "[ . 1 . 2]" 2
194 1 11 CYS H 2 9 THR H 3.420 . 3.420 3.080 2.949 3.214 . 0 0 "[ . 1 . 2]" 2
195 1 11 CYS H 2 9 THR HB 3.950 . 3.950 3.618 3.276 4.002 0.052 1 0 "[ . 1 . 2]" 2
196 1 11 CYS H 2 9 THR MG 4.650 . 4.650 4.378 4.065 4.632 . 0 0 "[ . 1 . 2]" 2
197 1 11 CYS H 1 11 CYS HB2 3.970 . 3.970 3.063 2.944 3.167 . 0 0 "[ . 1 . 2]" 2
198 1 11 CYS H 1 11 CYS HB3 3.970 . 3.970 2.818 2.729 2.873 . 0 0 "[ . 1 . 2]" 2
199 1 11 CYS H 1 11 CYS QB 3.390 . 3.390 2.602 2.548 2.663 . 0 0 "[ . 1 . 2]" 2
200 1 11 CYS HA 1 12 CYS H 3.500 . 3.500 2.487 2.363 2.558 . 0 0 "[ . 1 . 2]" 2
201 1 11 CYS HA 1 31 THR MG 3.670 . 3.670 2.917 2.171 3.321 . 0 0 "[ . 1 . 2]" 2
202 1 11 CYS HB2 1 12 CYS H 4.150 . 4.150 3.882 3.799 3.998 . 0 0 "[ . 1 . 2]" 2
203 1 11 CYS HB3 1 12 CYS H 4.060 . 4.060 3.376 3.129 3.650 . 0 0 "[ . 1 . 2]" 2
204 1 11 CYS QB 2 9 THR H 4.990 . 4.990 4.520 4.342 4.670 . 0 0 "[ . 1 . 2]" 2
205 1 11 CYS QB 1 12 CYS H 3.530 . 3.530 3.177 2.996 3.379 . 0 0 "[ . 1 . 2]" 2
206 1 12 CYS H 1 12 CYS QB 3.530 . 3.530 3.166 2.834 3.369 . 0 0 "[ . 1 . 2]" 2
207 1 12 CYS H 1 13 PHE H 4.530 . 4.530 4.283 4.206 4.354 . 0 0 "[ . 1 . 2]" 2
208 1 12 CYS H 1 31 THR MG 3.890 . 3.890 2.882 2.553 3.147 . 0 0 "[ . 1 . 2]" 2
209 1 12 CYS H 1 37 ASN QD 5.340 . 5.340 3.835 3.494 4.594 . 0 0 "[ . 1 . 2]" 2
210 1 12 CYS H 1 39 ALA MB 4.030 . 4.030 3.781 3.154 4.084 0.054 11 0 "[ . 1 . 2]" 2
211 1 12 CYS H 1 51 CYS QB 5.340 . 5.340 5.229 4.978 5.378 0.038 11 0 "[ . 1 . 2]" 2
212 1 12 CYS HA 1 13 PHE H 3.180 . 3.180 2.317 2.184 2.463 . 0 0 "[ . 1 . 2]" 2
213 1 12 CYS HA 1 13 PHE HA 4.830 . 4.830 4.510 4.450 4.595 . 0 0 "[ . 1 . 2]" 2
214 1 12 CYS HB2 1 13 PHE H 4.390 . 4.390 3.098 2.268 4.135 . 0 0 "[ . 1 . 2]" 2
215 1 12 CYS HB3 1 13 PHE H 4.390 . 4.390 3.557 2.527 3.860 . 0 0 "[ . 1 . 2]" 2
216 1 12 CYS QB 1 13 PHE H 3.840 . 3.840 2.731 2.246 3.420 . 0 0 "[ . 1 . 2]" 2
217 1 12 CYS QB 1 31 THR MG 4.760 . 4.760 3.350 2.291 3.845 . 0 0 "[ . 1 . 2]" 2
218 1 12 CYS QB 1 41 VAL QG 4.900 . 4.900 3.760 3.422 4.106 . 0 0 "[ . 1 . 2]" 2
219 1 13 PHE H 1 13 PHE HB2 3.900 . 3.900 3.539 3.156 3.930 0.030 15 0 "[ . 1 . 2]" 2
220 1 13 PHE H 1 13 PHE HB3 3.900 . 3.900 3.149 2.837 3.944 0.044 4 0 "[ . 1 . 2]" 2
221 1 13 PHE H 1 13 PHE QB 3.400 . 3.400 2.927 2.679 3.313 . 0 0 "[ . 1 . 2]" 2
222 1 13 PHE H 1 14 ALA H 3.900 . 3.900 3.076 2.213 3.673 . 0 0 "[ . 1 . 2]" 2
223 1 13 PHE H 1 14 ALA HA 5.140 . 5.140 4.635 4.081 4.895 . 0 0 "[ . 1 . 2]" 2
224 1 13 PHE H 1 14 ALA MB 4.160 . 4.160 3.358 3.183 3.536 . 0 0 "[ . 1 . 2]" 2
225 1 13 PHE HA 1 14 ALA MB 4.690 . 4.690 4.301 4.118 4.594 . 0 0 "[ . 1 . 2]" 2
226 1 13 PHE HA 1 53 ASN HD21 3.610 . 3.610 3.515 2.656 3.802 0.192 20 0 "[ . 1 . 2]" 2
227 1 13 PHE HA 1 53 ASN HD22 3.610 . 3.610 2.576 1.908 3.702 0.092 5 0 "[ . 1 . 2]" 2
228 1 13 PHE HA 1 53 ASN QD 3.030 . 3.030 2.425 1.898 2.909 . 0 0 "[ . 1 . 2]" 2
229 1 13 PHE HB2 1 14 ALA H 4.760 . 4.760 4.515 4.336 4.642 . 0 0 "[ . 1 . 2]" 2
230 1 13 PHE HB3 1 14 ALA H 4.760 . 4.760 4.535 4.442 4.680 . 0 0 "[ . 1 . 2]" 2
231 1 13 PHE QB 1 14 ALA H 4.110 . 4.110 4.027 3.930 4.064 . 0 0 "[ . 1 . 2]" 2
232 1 13 PHE QB 1 14 ALA MB 4.570 . 4.570 4.479 4.207 4.876 0.306 9 0 "[ . 1 . 2]" 2
233 1 13 PHE QB 1 53 ASN QD 3.520 . 3.520 3.541 3.215 3.716 0.196 5 0 "[ . 1 . 2]" 2
234 1 14 ALA H 1 14 ALA MB 3.040 . 3.040 2.673 2.245 2.899 . 0 0 "[ . 1 . 2]" 2
235 1 14 ALA H 1 15 TYR H 4.450 . 4.450 4.323 4.191 4.444 . 0 0 "[ . 1 . 2]" 2
236 1 14 ALA H 1 39 ALA MB 4.610 . 4.610 3.774 3.453 4.019 . 0 0 "[ . 1 . 2]" 2
237 1 14 ALA H 1 51 CYS QB 5.340 . 5.340 3.579 2.873 4.036 . 0 0 "[ . 1 . 2]" 2
238 1 14 ALA H 1 52 ALA HA 3.860 . 3.860 3.927 3.794 4.081 0.221 3 0 "[ . 1 . 2]" 2
239 1 14 ALA H 1 52 ALA MB 5.240 . 5.240 5.313 5.205 5.437 0.197 3 0 "[ . 1 . 2]" 2
240 1 14 ALA H 1 53 ASN QD 3.790 . 3.790 3.188 2.465 3.878 0.088 15 0 "[ . 1 . 2]" 2
241 1 14 ALA HA 1 15 TYR H 2.730 . 2.730 2.515 2.242 2.740 0.010 16 0 "[ . 1 . 2]" 2
242 1 14 ALA HA 1 15 TYR HB3 4.440 . 4.440 4.365 4.208 4.494 0.054 9 0 "[ . 1 . 2]" 2
243 1 14 ALA HA 1 15 TYR QD 4.430 . 4.430 3.322 2.791 3.907 . 0 0 "[ . 1 . 2]" 2
244 1 14 ALA MB 2 6 SER HA 4.190 . 4.190 3.373 2.170 4.362 0.172 17 0 "[ . 1 . 2]" 2
245 1 14 ALA MB 2 6 SER QB 5.320 . 5.320 2.236 1.857 3.200 . 0 0 "[ . 1 . 2]" 2
246 1 14 ALA MB 1 15 TYR H 2.770 . 2.770 2.173 1.801 2.778 0.008 10 0 "[ . 1 . 2]" 2
247 1 15 TYR H 1 15 TYR HB2 4.040 . 4.040 3.927 3.754 4.047 0.007 4 0 "[ . 1 . 2]" 2
248 1 15 TYR H 1 15 TYR HB3 3.520 . 3.520 3.440 3.009 3.589 0.069 14 0 "[ . 1 . 2]" 2
249 1 15 TYR H 1 15 TYR QD 3.540 . 3.540 3.174 2.695 3.491 . 0 0 "[ . 1 . 2]" 2
250 1 15 TYR H 1 15 TYR QE 4.680 . 4.680 4.460 4.158 4.668 . 0 0 "[ . 1 . 2]" 2
251 1 15 TYR H 1 16 LEU H 4.460 . 4.460 4.195 1.724 4.460 0.000 10 0 "[ . 1 . 2]" 2
252 1 15 TYR H 1 53 ASN H 5.500 . 5.500 4.784 4.388 5.084 . 0 0 "[ . 1 . 2]" 2
253 1 15 TYR HA 1 16 LEU H 3.450 . 3.450 2.444 2.234 3.475 0.025 9 0 "[ . 1 . 2]" 2
254 1 15 TYR HA 1 52 ALA MB 3.730 . 3.730 2.761 2.480 3.042 . 0 0 "[ . 1 . 2]" 2
255 1 15 TYR HB2 1 16 LEU H 4.520 . 4.520 2.521 1.867 3.687 . 0 0 "[ . 1 . 2]" 2
256 1 15 TYR HB2 1 52 ALA HA 5.190 . 5.190 4.137 3.169 4.881 . 0 0 "[ . 1 . 2]" 2
257 1 15 TYR HB2 1 52 ALA MB 4.520 . 4.520 3.584 2.603 4.527 0.007 8 0 "[ . 1 . 2]" 2
258 1 15 TYR HB2 1 53 ASN H 4.280 . 4.280 3.519 2.970 4.309 0.029 8 0 "[ . 1 . 2]" 2
259 1 15 TYR HB3 1 52 ALA HA 4.540 . 4.540 3.494 2.516 4.269 . 0 0 "[ . 1 . 2]" 2
260 1 15 TYR HB3 1 52 ALA MB 4.850 . 4.850 3.740 2.978 4.527 . 0 0 "[ . 1 . 2]" 2
261 1 15 TYR HB3 1 53 ASN H 4.090 . 4.090 2.398 1.753 3.185 . 0 0 "[ . 1 . 2]" 2
262 1 15 TYR QD 1 16 LEU H 4.040 . 4.040 3.363 2.923 3.936 . 0 0 "[ . 1 . 2]" 2
263 1 15 TYR QD 1 16 LEU HB3 5.500 . 5.500 5.437 5.230 5.677 0.177 6 0 "[ . 1 . 2]" 2
264 1 15 TYR QD 1 53 ASN H 4.810 . 4.810 4.056 3.076 4.814 0.004 5 0 "[ . 1 . 2]" 2
265 1 15 TYR QD 1 53 ASN QD 5.340 . 5.340 4.222 2.834 5.352 0.012 5 0 "[ . 1 . 2]" 2
266 1 16 LEU H 1 16 LEU HB2 3.490 . 3.490 2.692 2.417 3.048 . 0 0 "[ . 1 . 2]" 2
267 1 16 LEU H 1 16 LEU HB3 3.490 . 3.490 3.282 2.460 3.713 0.223 18 0 "[ . 1 . 2]" 2
268 1 16 LEU H 1 52 ALA HA 4.860 . 4.860 4.143 3.482 4.872 0.012 18 0 "[ . 1 . 2]" 2
269 1 16 LEU H 1 52 ALA MB 4.450 . 4.450 3.223 2.669 4.517 0.067 9 0 "[ . 1 . 2]" 2
270 1 16 LEU H 1 53 ASN H 5.370 . 5.370 4.733 4.002 5.292 . 0 0 "[ . 1 . 2]" 2
271 1 16 LEU HA 1 16 LEU QD 3.300 . 3.300 2.345 2.038 2.994 . 0 0 "[ . 1 . 2]" 2
272 1 16 LEU HA 1 17 SER H 2.740 . 2.740 2.121 2.064 2.266 . 0 0 "[ . 1 . 2]" 2
273 1 16 LEU HA 1 17 SER QB 4.240 . 4.240 4.331 4.022 4.396 0.156 16 0 "[ . 1 . 2]" 2
274 1 16 LEU HA 1 18 LEU H 3.960 . 3.960 3.659 3.426 3.826 . 0 0 "[ . 1 . 2]" 2
275 1 16 LEU HB2 1 18 LEU H 4.790 . 4.790 4.618 3.548 4.897 0.107 9 0 "[ . 1 . 2]" 2
276 1 16 LEU HB3 1 18 LEU H 4.790 . 4.790 3.258 2.121 4.397 . 0 0 "[ . 1 . 2]" 2
277 1 16 LEU HG 1 17 SER H 3.830 . 3.830 3.910 3.531 4.204 0.374 2 0 "[ . 1 . 2]" 2
278 1 16 LEU QB 1 18 LEU H 4.180 . 4.180 3.175 2.105 4.099 . 0 0 "[ . 1 . 2]" 2
279 1 16 LEU MD1 1 19 ALA H 5.500 . 5.500 5.480 5.134 5.680 0.180 6 0 "[ . 1 . 2]" 2
280 1 16 LEU MD1 1 19 ALA HA 5.340 . 5.340 4.098 3.364 5.230 . 0 0 "[ . 1 . 2]" 2
281 1 16 LEU MD1 1 19 ALA MB 5.500 . 5.500 4.914 4.098 5.579 0.079 3 0 "[ . 1 . 2]" 2
282 1 16 LEU MD2 1 19 ALA H 5.500 . 5.500 4.556 4.031 5.143 . 0 0 "[ . 1 . 2]" 2
283 1 16 LEU MD2 1 19 ALA HA 5.340 . 5.340 3.913 2.054 5.128 . 0 0 "[ . 1 . 2]" 2
284 1 16 LEU MD2 1 19 ALA MB 5.500 . 5.500 4.679 3.156 5.543 0.043 12 0 "[ . 1 . 2]" 2
285 1 16 LEU QD 1 17 SER H 3.510 . 3.510 2.518 1.929 3.596 0.086 20 0 "[ . 1 . 2]" 2
286 1 16 LEU QD 1 17 SER QB 4.700 . 4.700 3.822 3.219 4.807 0.107 20 0 "[ . 1 . 2]" 2
287 1 16 LEU QD 1 18 LEU H 3.200 . 3.200 2.278 1.753 3.231 0.031 18 0 "[ . 1 . 2]" 2
288 1 16 LEU QD 1 19 ALA HA 4.680 . 4.680 3.459 2.049 4.143 . 0 0 "[ . 1 . 2]" 2
289 1 16 LEU QD 1 20 LEU H 4.640 . 4.640 4.124 2.850 4.706 0.066 7 0 "[ . 1 . 2]" 2
290 1 17 SER H 1 17 SER QB 2.920 . 2.920 2.414 2.335 2.526 . 0 0 "[ . 1 . 2]" 2
291 1 17 SER H 1 18 LEU H 2.970 . 2.970 2.361 2.019 2.675 . 0 0 "[ . 1 . 2]" 2
292 1 17 SER H 1 18 LEU HA 5.270 . 5.270 5.044 4.784 5.281 0.011 19 0 "[ . 1 . 2]" 2
293 1 17 SER H 1 18 LEU QD 4.340 . 4.340 3.833 3.191 4.461 0.121 4 0 "[ . 1 . 2]" 2
294 1 17 SER HA 1 18 LEU H 3.570 . 3.570 3.451 3.378 3.513 . 0 0 "[ . 1 . 2]" 2
295 1 17 SER QB 1 18 LEU H 3.160 . 3.160 2.843 2.656 3.070 . 0 0 "[ . 1 . 2]" 2
296 1 17 SER QB 1 18 LEU QD 3.850 . 3.850 2.591 2.010 3.562 . 0 0 "[ . 1 . 2]" 2
297 1 18 LEU H 1 18 LEU QB 3.150 . 3.150 2.458 2.262 2.625 . 0 0 "[ . 1 . 2]" 2
298 1 18 LEU H 1 18 LEU QD 3.340 . 3.340 2.677 2.066 3.337 . 0 0 "[ . 1 . 2]" 2
299 1 18 LEU H 1 19 ALA MB 4.910 . 4.910 4.820 4.531 4.992 0.082 16 0 "[ . 1 . 2]" 2
300 1 18 LEU HA 1 18 LEU QD 3.070 . 3.070 2.361 1.933 2.861 . 0 0 "[ . 1 . 2]" 2
301 1 18 LEU HA 1 19 ALA MB 4.380 . 4.380 4.160 4.035 4.318 . 0 0 "[ . 1 . 2]" 2
302 1 18 LEU QB 1 19 ALA H 3.890 . 3.890 3.792 3.636 3.890 . 0 0 "[ . 1 . 2]" 2
303 1 19 ALA H 1 19 ALA MB 2.800 . 2.800 2.249 2.219 2.326 . 0 0 "[ . 1 . 2]" 2
304 1 19 ALA H 1 20 LEU H 4.600 . 4.600 4.509 4.291 4.615 0.015 18 0 "[ . 1 . 2]" 2
305 1 19 ALA HA 1 20 LEU H 3.360 . 3.360 2.177 2.092 2.327 . 0 0 "[ . 1 . 2]" 2
306 1 19 ALA HA 1 20 LEU QD 4.410 . 4.410 4.172 2.838 4.396 . 0 0 "[ . 1 . 2]" 2
307 1 19 ALA MB 1 20 LEU H 3.420 . 3.420 2.946 2.512 3.360 . 0 0 "[ . 1 . 2]" 2
308 1 19 ALA MB 1 20 LEU HA 4.760 . 4.760 4.405 4.197 4.586 . 0 0 "[ . 1 . 2]" 2
309 1 19 ALA MB 1 20 LEU HG 4.680 . 4.680 4.030 3.552 4.761 0.081 13 0 "[ . 1 . 2]" 2
310 1 19 ALA MB 1 20 LEU QD 4.290 . 4.290 3.952 3.534 4.377 0.087 16 0 "[ . 1 . 2]" 2
311 1 19 ALA MB 1 58 TRP H 5.500 . 5.500 5.344 4.913 5.611 0.111 12 0 "[ . 1 . 2]" 2
312 1 19 ALA MB 1 58 TRP HA 5.480 . 5.480 4.728 4.236 5.306 . 0 0 "[ . 1 . 2]" 2
313 1 19 ALA MB 1 58 TRP HB2 4.600 . 4.600 3.353 2.791 3.905 . 0 0 "[ . 1 . 2]" 2
314 1 19 ALA MB 1 58 TRP HB3 4.600 . 4.600 2.741 2.229 3.175 . 0 0 "[ . 1 . 2]" 2
315 1 19 ALA MB 1 58 TRP HD1 4.590 . 4.590 4.510 3.696 4.711 0.121 17 0 "[ . 1 . 2]" 2
316 1 19 ALA MB 1 58 TRP QB 3.860 . 3.860 2.621 2.145 3.036 . 0 0 "[ . 1 . 2]" 2
317 1 20 LEU H 1 20 LEU QD 3.550 . 3.550 2.803 1.652 2.904 . 0 0 "[ . 1 . 2]" 2
318 1 20 LEU HA 1 20 LEU HG 3.800 . 3.800 3.669 3.645 3.724 . 0 0 "[ . 1 . 2]" 2
319 1 20 LEU HA 1 20 LEU QD 3.460 . 3.460 3.430 3.404 3.450 . 0 0 "[ . 1 . 2]" 2
320 1 20 LEU HB2 1 24 HIS H 4.930 . 4.930 4.674 4.435 4.898 . 0 0 "[ . 1 . 2]" 2
321 1 20 LEU HB2 1 25 VAL H 5.450 . 5.450 5.170 4.946 5.488 0.038 11 0 "[ . 1 . 2]" 2
322 1 20 LEU QD 1 21 PRO HA 5.500 . 5.500 4.322 4.067 5.082 . 0 0 "[ . 1 . 2]" 2
323 1 20 LEU QD 1 42 PHE HA 5.610 . 5.610 5.485 5.204 5.676 0.066 11 0 "[ . 1 . 2]" 2
324 1 20 LEU QD 1 42 PHE HB2 4.350 . 4.350 3.856 3.408 4.121 . 0 0 "[ . 1 . 2]" 2
325 1 20 LEU QD 1 42 PHE HB3 3.970 . 3.970 3.551 3.263 3.746 . 0 0 "[ . 1 . 2]" 2
326 1 20 LEU QD 1 44 THR H 5.500 . 5.500 4.573 4.392 4.777 . 0 0 "[ . 1 . 2]" 2
327 1 20 LEU QD 1 44 THR MG 2.860 . 2.860 2.009 1.896 2.278 . 0 0 "[ . 1 . 2]" 2
328 1 20 LEU QD 1 45 ARG H 5.500 . 5.500 4.502 4.258 4.772 . 0 0 "[ . 1 . 2]" 2
329 1 20 LEU QD 1 50 VAL H 5.500 . 5.500 5.302 4.959 5.552 0.052 17 0 "[ . 1 . 2]" 2
330 1 20 LEU QD 1 50 VAL HB 4.350 . 4.350 3.788 3.350 4.234 . 0 0 "[ . 1 . 2]" 2
331 1 21 PRO HA 1 22 ARG H 2.900 . 2.900 2.272 2.175 2.326 . 0 0 "[ . 1 . 2]" 2
332 1 21 PRO HA 1 22 ARG HA 4.330 . 4.330 4.307 4.275 4.340 0.010 6 0 "[ . 1 . 2]" 2
333 1 21 PRO HA 1 22 ARG QB 5.120 . 5.120 4.502 4.335 4.626 . 0 0 "[ . 1 . 2]" 2
334 1 21 PRO HA 1 22 ARG QG 5.340 . 5.340 3.895 3.558 4.399 . 0 0 "[ . 1 . 2]" 2
335 1 21 PRO HA 1 24 HIS HB2 5.100 . 5.100 4.841 4.685 5.010 . 0 0 "[ . 1 . 2]" 2
336 1 21 PRO HB2 1 22 ARG H 3.980 . 3.980 2.996 2.771 3.342 . 0 0 "[ . 1 . 2]" 2
337 1 21 PRO HB2 1 23 ALA H 3.810 . 3.810 2.465 2.337 2.619 . 0 0 "[ . 1 . 2]" 2
338 1 21 PRO HB2 1 23 ALA MB 4.020 . 4.020 2.919 2.773 3.054 . 0 0 "[ . 1 . 2]" 2
339 1 21 PRO HB2 1 24 HIS H 3.680 . 3.680 3.243 2.882 3.502 . 0 0 "[ . 1 . 2]" 2
340 1 21 PRO HB2 1 24 HIS HB2 4.330 . 4.330 3.976 3.212 4.289 . 0 0 "[ . 1 . 2]" 2
341 1 21 PRO HB3 1 22 ARG H 3.860 . 3.860 3.435 3.072 3.581 . 0 0 "[ . 1 . 2]" 2
342 1 21 PRO HB3 1 23 ALA H 4.320 . 4.320 3.970 3.461 4.210 . 0 0 "[ . 1 . 2]" 2
343 1 21 PRO HB3 1 23 ALA MB 4.680 . 4.680 4.277 3.856 4.475 . 0 0 "[ . 1 . 2]" 2
344 1 21 PRO HB3 1 24 HIS H 4.910 . 4.910 4.826 4.505 4.962 0.052 8 0 "[ . 1 . 2]" 2
345 1 21 PRO HB3 1 24 HIS HB2 5.100 . 5.100 5.068 4.720 5.205 0.105 17 0 "[ . 1 . 2]" 2
346 1 21 PRO QG 1 22 ARG H 4.580 . 4.580 4.465 4.283 4.676 0.096 6 0 "[ . 1 . 2]" 2
347 1 21 PRO QG 1 23 ALA MB 3.940 . 3.940 3.533 3.034 3.965 0.025 11 0 "[ . 1 . 2]" 2
348 1 21 PRO QG 1 24 HIS H 4.700 . 4.700 3.303 2.942 4.285 . 0 0 "[ . 1 . 2]" 2
349 1 21 PRO QG 1 24 HIS HB2 3.320 . 3.320 2.713 2.369 3.427 0.107 4 0 "[ . 1 . 2]" 2
350 1 22 ARG H 1 22 ARG HB2 3.650 . 3.650 2.436 2.240 2.634 . 0 0 "[ . 1 . 2]" 2
351 1 22 ARG H 1 22 ARG HB3 3.650 . 3.650 3.583 3.527 3.610 . 0 0 "[ . 1 . 2]" 2
352 1 22 ARG H 1 22 ARG HE 4.600 . 4.600 3.364 2.269 3.997 . 0 0 "[ . 1 . 2]" 2
353 1 22 ARG H 1 22 ARG HG2 4.190 . 4.190 3.598 3.107 4.159 . 0 0 "[ . 1 . 2]" 2
354 1 22 ARG H 1 22 ARG HG3 4.190 . 4.190 2.379 1.996 3.023 . 0 0 "[ . 1 . 2]" 2
355 1 22 ARG H 1 22 ARG QB 2.990 . 2.990 2.398 2.217 2.572 . 0 0 "[ . 1 . 2]" 2
356 1 22 ARG H 1 22 ARG QD 4.710 . 4.710 4.093 3.091 4.306 . 0 0 "[ . 1 . 2]" 2
357 1 22 ARG H 1 22 ARG QG 3.540 . 3.540 2.347 1.974 2.945 . 0 0 "[ . 1 . 2]" 2
358 1 22 ARG H 1 25 VAL MG1 5.410 . 5.410 4.534 4.314 4.973 . 0 0 "[ . 1 . 2]" 2
359 1 22 ARG H 1 62 TYR QE 4.220 . 4.220 2.860 2.368 3.740 . 0 0 "[ . 1 . 2]" 2
360 1 22 ARG HA 1 22 ARG HE 5.010 . 5.010 4.677 3.707 5.006 . 0 0 "[ . 1 . 2]" 2
361 1 22 ARG HA 1 22 ARG HG2 3.800 . 3.800 2.629 2.472 3.411 . 0 0 "[ . 1 . 2]" 2
362 1 22 ARG HA 1 22 ARG HG3 3.800 . 3.800 2.904 2.340 3.221 . 0 0 "[ . 1 . 2]" 2
363 1 22 ARG HA 1 22 ARG QD 4.530 . 4.530 4.049 3.951 4.108 . 0 0 "[ . 1 . 2]" 2
364 1 22 ARG HA 1 22 ARG QG 3.310 . 3.310 2.403 2.254 2.500 . 0 0 "[ . 1 . 2]" 2
365 1 22 ARG HA 1 23 ALA H 3.550 . 3.550 3.463 3.409 3.500 . 0 0 "[ . 1 . 2]" 2
366 1 22 ARG HA 1 23 ALA HA 4.920 . 4.920 4.761 4.704 4.808 . 0 0 "[ . 1 . 2]" 2
367 1 22 ARG HA 1 24 HIS H 4.790 . 4.790 3.665 3.521 3.812 . 0 0 "[ . 1 . 2]" 2
368 1 22 ARG HA 1 25 VAL H 3.710 . 3.710 3.168 2.880 3.481 . 0 0 "[ . 1 . 2]" 2
369 1 22 ARG HA 1 25 VAL HB 4.060 . 4.060 3.426 2.972 3.704 . 0 0 "[ . 1 . 2]" 2
370 1 22 ARG HA 1 25 VAL MG1 3.190 . 3.190 2.112 1.875 2.586 . 0 0 "[ . 1 . 2]" 2
371 1 22 ARG HA 1 25 VAL MG2 4.860 . 4.860 4.495 4.175 4.780 . 0 0 "[ . 1 . 2]" 2
372 1 22 ARG HA 1 62 TYR QE 3.840 . 3.840 2.560 2.096 3.261 . 0 0 "[ . 1 . 2]" 2
373 1 22 ARG HB2 1 22 ARG HE 4.360 . 4.360 2.441 1.897 3.541 . 0 0 "[ . 1 . 2]" 2
374 1 22 ARG HB2 1 23 ALA H 4.360 . 4.360 2.923 2.751 3.100 . 0 0 "[ . 1 . 2]" 2
375 1 22 ARG HB2 1 62 TYR QE 5.060 . 5.060 4.349 3.993 4.755 . 0 0 "[ . 1 . 2]" 2
376 1 22 ARG HB3 1 22 ARG HE 4.360 . 4.360 3.597 2.939 4.414 0.054 17 0 "[ . 1 . 2]" 2
377 1 22 ARG HB3 1 23 ALA H 4.360 . 4.360 3.782 3.503 4.010 . 0 0 "[ . 1 . 2]" 2
378 1 22 ARG HB3 1 62 TYR QE 5.060 . 5.060 4.503 3.958 4.896 . 0 0 "[ . 1 . 2]" 2
379 1 22 ARG HD2 1 62 TYR HA 5.150 . 5.150 4.491 3.512 5.212 0.062 17 0 "[ . 1 . 2]" 2
380 1 22 ARG HD2 1 65 TYR HB3 4.990 . 4.990 2.926 2.284 4.328 . 0 0 "[ . 1 . 2]" 2
381 1 22 ARG HD3 1 62 TYR HA 5.150 . 5.150 3.613 2.856 4.342 . 0 0 "[ . 1 . 2]" 2
382 1 22 ARG HD3 1 65 TYR HB3 4.990 . 4.990 3.209 2.208 4.343 . 0 0 "[ . 1 . 2]" 2
383 1 22 ARG HE 1 23 ALA H 4.880 . 4.880 4.870 4.484 5.068 0.188 13 0 "[ . 1 . 2]" 2
384 1 22 ARG HE 1 22 ARG HG2 4.050 . 4.050 3.614 3.555 3.747 . 0 0 "[ . 1 . 2]" 2
385 1 22 ARG HE 1 22 ARG HG3 4.050 . 4.050 2.518 2.299 3.138 . 0 0 "[ . 1 . 2]" 2
386 1 22 ARG QB 1 22 ARG HE 3.580 . 3.580 2.401 1.875 3.404 . 0 0 "[ . 1 . 2]" 2
387 1 22 ARG QB 1 23 ALA H 3.710 . 3.710 2.829 2.679 2.988 . 0 0 "[ . 1 . 2]" 2
388 1 22 ARG QB 1 23 ALA HA 4.500 . 4.500 3.946 3.868 4.056 . 0 0 "[ . 1 . 2]" 2
389 1 22 ARG QD 1 62 TYR HA 4.390 . 4.390 3.422 2.814 3.901 . 0 0 "[ . 1 . 2]" 2
390 1 22 ARG QD 1 62 TYR QD 4.190 . 4.190 4.061 3.656 4.236 0.046 3 0 "[ . 1 . 2]" 2
391 1 22 ARG QD 1 62 TYR QE 5.340 . 5.340 4.158 3.600 4.524 . 0 0 "[ . 1 . 2]" 2
392 1 22 ARG QD 1 65 TYR HB2 4.320 . 4.320 2.816 1.954 3.481 . 0 0 "[ . 1 . 2]" 2
393 1 22 ARG QD 1 65 TYR HB3 4.290 . 4.290 2.662 2.047 3.671 . 0 0 "[ . 1 . 2]" 2
394 1 22 ARG HE 1 22 ARG QG 3.400 . 3.400 2.466 2.272 2.986 . 0 0 "[ . 1 . 2]" 2
395 1 22 ARG QG 1 23 ALA H 4.940 . 4.940 4.242 3.974 4.571 . 0 0 "[ . 1 . 2]" 2
396 1 22 ARG QG 1 62 TYR H 5.340 . 5.340 5.380 5.138 5.528 0.188 17 0 "[ . 1 . 2]" 2
397 1 23 ALA H 1 23 ALA HA 2.920 . 2.920 2.837 2.807 2.877 . 0 0 "[ . 1 . 2]" 2
398 1 23 ALA H 1 23 ALA MB 2.500 . 2.500 2.243 2.229 2.265 . 0 0 "[ . 1 . 2]" 2
399 1 23 ALA H 1 24 HIS H 3.140 . 3.140 2.587 2.434 2.706 . 0 0 "[ . 1 . 2]" 2
400 1 23 ALA H 1 24 HIS HA 5.320 . 5.320 5.177 5.041 5.275 . 0 0 "[ . 1 . 2]" 2
401 1 23 ALA H 1 24 HIS HD2 5.360 . 5.360 4.361 3.698 5.371 0.011 4 0 "[ . 1 . 2]" 2
402 1 23 ALA H 1 25 VAL H 4.210 . 4.210 4.046 3.953 4.167 . 0 0 "[ . 1 . 2]" 2
403 1 23 ALA H 1 25 VAL MG1 5.500 . 5.500 4.526 4.340 4.694 . 0 0 "[ . 1 . 2]" 2
404 1 23 ALA H 1 62 TYR QE 5.000 . 5.000 4.794 4.462 5.203 0.203 6 0 "[ . 1 . 2]" 2
405 1 23 ALA HA 1 24 HIS H 3.520 . 3.520 3.410 3.362 3.446 . 0 0 "[ . 1 . 2]" 2
406 1 23 ALA HA 1 25 VAL H 4.120 . 4.120 4.081 3.896 4.179 0.059 8 0 "[ . 1 . 2]" 2
407 1 23 ALA HA 1 25 VAL MG1 4.770 . 4.770 4.610 4.408 4.798 0.028 13 0 "[ . 1 . 2]" 2
408 1 23 ALA MB 1 24 HIS H 3.210 . 3.210 3.033 2.945 3.142 . 0 0 "[ . 1 . 2]" 2
409 1 23 ALA MB 1 24 HIS HA 4.200 . 4.200 3.997 3.937 4.066 . 0 0 "[ . 1 . 2]" 2
410 1 23 ALA MB 1 24 HIS HB2 4.490 . 4.490 4.447 4.199 4.561 0.071 11 0 "[ . 1 . 2]" 2
411 1 23 ALA MB 1 24 HIS HD2 3.720 . 3.720 2.661 2.304 3.408 . 0 0 "[ . 1 . 2]" 2
412 1 23 ALA MB 1 25 VAL H 4.740 . 4.740 4.549 4.439 4.621 . 0 0 "[ . 1 . 2]" 2
413 1 24 HIS H 1 24 HIS HB2 3.090 . 3.090 2.296 2.249 2.354 . 0 0 "[ . 1 . 2]" 2
414 1 24 HIS H 1 24 HIS HB3 3.390 . 3.390 3.546 3.447 3.581 0.191 9 0 "[ . 1 . 2]" 2
415 1 24 HIS H 1 24 HIS HD2 4.020 . 4.020 3.160 2.825 3.860 . 0 0 "[ . 1 . 2]" 2
416 1 24 HIS H 1 25 VAL H 2.980 . 2.980 2.186 2.089 2.275 . 0 0 "[ . 1 . 2]" 2
417 1 24 HIS H 1 25 VAL HB 4.580 . 4.580 4.334 4.171 4.452 . 0 0 "[ . 1 . 2]" 2
418 1 24 HIS H 1 25 VAL MG1 4.290 . 4.290 3.911 3.777 4.053 . 0 0 "[ . 1 . 2]" 2
419 1 24 HIS HA 1 44 THR HA 5.500 . 5.500 5.258 5.042 5.455 . 0 0 "[ . 1 . 2]" 2
420 1 24 HIS HA 1 44 THR HB 4.890 . 4.890 4.730 4.430 5.048 0.158 11 0 "[ . 1 . 2]" 2
421 1 24 HIS HA 1 45 ARG H 4.450 . 4.450 3.865 3.711 4.195 . 0 0 "[ . 1 . 2]" 2
422 1 24 HIS HA 1 45 ARG QB 5.120 . 5.120 3.718 3.268 4.135 . 0 0 "[ . 1 . 2]" 2
423 1 24 HIS HB2 1 25 VAL H 4.040 . 4.040 3.255 3.059 3.486 . 0 0 "[ . 1 . 2]" 2
424 1 24 HIS HB3 1 25 VAL H 4.100 . 4.100 3.855 3.692 4.052 . 0 0 "[ . 1 . 2]" 2
425 1 24 HIS HB3 1 44 THR HB 4.900 . 4.900 3.950 3.570 4.291 . 0 0 "[ . 1 . 2]" 2
426 1 24 HIS HB3 1 45 ARG H 5.500 . 5.500 4.356 3.944 4.809 . 0 0 "[ . 1 . 2]" 2
427 1 24 HIS HD2 1 25 VAL H 5.500 . 5.500 5.008 4.832 5.269 . 0 0 "[ . 1 . 2]" 2
428 1 25 VAL H 1 25 VAL HB 2.980 . 2.980 2.613 2.494 2.724 . 0 0 "[ . 1 . 2]" 2
429 1 25 VAL H 1 25 VAL MG1 2.890 . 2.890 2.365 2.251 2.507 . 0 0 "[ . 1 . 2]" 2
430 1 25 VAL H 1 25 VAL MG2 4.000 . 4.000 3.831 3.787 3.876 . 0 0 "[ . 1 . 2]" 2
431 1 25 VAL H 1 26 LYS H 4.720 . 4.720 4.553 4.520 4.594 . 0 0 "[ . 1 . 2]" 2
432 1 25 VAL H 1 44 THR HA 5.280 . 5.280 4.634 4.549 4.716 . 0 0 "[ . 1 . 2]" 2
433 1 25 VAL H 1 45 ARG QG 5.500 . 5.500 3.840 3.487 4.126 . 0 0 "[ . 1 . 2]" 2
434 1 25 VAL H 1 62 TYR QD 5.500 . 5.500 5.242 5.045 5.430 . 0 0 "[ . 1 . 2]" 2
435 1 25 VAL H 1 62 TYR QE 5.500 . 5.500 4.732 4.167 5.270 . 0 0 "[ . 1 . 2]" 2
436 1 25 VAL HA 1 25 VAL MG1 3.230 . 3.230 3.204 3.178 3.214 . 0 0 "[ . 1 . 2]" 2
437 1 25 VAL HA 1 25 VAL MG2 3.380 . 3.380 2.236 2.211 2.262 . 0 0 "[ . 1 . 2]" 2
438 1 25 VAL HA 1 26 LYS H 3.060 . 3.060 2.315 2.224 2.374 . 0 0 "[ . 1 . 2]" 2
439 1 25 VAL HA 1 27 GLU H 4.230 . 4.230 4.205 4.029 4.314 0.084 13 0 "[ . 1 . 2]" 2
440 1 25 VAL HA 1 44 THR HA 3.580 . 3.580 1.892 1.772 1.987 . 0 0 "[ . 1 . 2]" 2
441 1 25 VAL HA 1 44 THR HB 4.270 . 4.270 3.720 3.262 3.988 . 0 0 "[ . 1 . 2]" 2
442 1 25 VAL HA 1 44 THR MG 4.080 . 4.080 3.002 2.379 3.268 . 0 0 "[ . 1 . 2]" 2
443 1 25 VAL HA 1 45 ARG H 4.780 . 4.780 3.315 2.937 3.580 . 0 0 "[ . 1 . 2]" 2
444 1 25 VAL HB 1 26 LYS H 4.300 . 4.300 4.080 4.013 4.167 . 0 0 "[ . 1 . 2]" 2
445 1 25 VAL HB 1 42 PHE HB3 4.550 . 4.550 4.137 3.875 4.404 . 0 0 "[ . 1 . 2]" 2
446 1 25 VAL MG1 1 26 LYS H 3.750 . 3.750 3.223 3.071 3.393 . 0 0 "[ . 1 . 2]" 2
447 1 25 VAL MG1 1 26 LYS HA 3.780 . 3.780 3.647 3.454 3.812 0.032 5 0 "[ . 1 . 2]" 2
448 1 25 VAL MG1 1 27 GLU H 3.870 . 3.870 3.680 3.543 3.783 . 0 0 "[ . 1 . 2]" 2
449 1 25 VAL MG1 1 27 GLU HA 4.010 . 4.010 3.985 3.742 4.161 0.151 14 0 "[ . 1 . 2]" 2
450 1 25 VAL MG1 1 27 GLU QG 5.500 . 5.500 5.500 5.324 5.679 0.179 18 0 "[ . 1 . 2]" 2
451 1 25 VAL MG1 1 28 TYR HB3 4.840 . 4.840 4.880 4.656 4.963 0.123 11 0 "[ . 1 . 2]" 2
452 1 25 VAL MG1 1 42 PHE HA 5.500 . 5.500 5.474 5.344 5.555 0.055 12 0 "[ . 1 . 2]" 2
453 1 25 VAL MG1 1 42 PHE HB3 4.700 . 4.700 4.350 4.183 4.483 . 0 0 "[ . 1 . 2]" 2
454 1 25 VAL MG1 1 42 PHE QD 4.840 . 4.840 3.575 3.403 3.860 . 0 0 "[ . 1 . 2]" 2
455 1 25 VAL MG1 1 43 VAL H 5.390 . 5.390 5.236 5.071 5.401 0.011 12 0 "[ . 1 . 2]" 2
456 1 25 VAL MG1 1 44 THR HA 5.050 . 5.050 4.636 4.428 4.740 . 0 0 "[ . 1 . 2]" 2
457 1 25 VAL MG1 1 62 TYR QD 3.270 . 3.270 2.504 2.213 2.939 . 0 0 "[ . 1 . 2]" 2
458 1 25 VAL MG1 1 66 LEU HB2 4.550 . 4.550 4.430 3.073 4.736 0.186 20 0 "[ . 1 . 2]" 2
459 1 25 VAL MG1 1 66 LEU HB3 4.550 . 4.550 4.252 3.110 4.528 . 0 0 "[ . 1 . 2]" 2
460 1 25 VAL MG1 1 66 LEU QB 3.970 . 3.970 3.848 2.814 4.090 0.120 6 0 "[ . 1 . 2]" 2
461 1 25 VAL MG2 1 26 LYS H 3.400 . 3.400 2.079 1.944 2.232 . 0 0 "[ . 1 . 2]" 2
462 1 25 VAL MG2 1 26 LYS HA 4.530 . 4.530 4.156 4.059 4.310 . 0 0 "[ . 1 . 2]" 2
463 1 25 VAL MG2 1 27 GLU H 2.970 . 2.970 2.397 2.191 2.742 . 0 0 "[ . 1 . 2]" 2
464 1 25 VAL MG2 1 27 GLU HA 4.230 . 4.230 3.871 3.674 4.061 . 0 0 "[ . 1 . 2]" 2
465 1 25 VAL MG2 1 28 TYR HA 4.640 . 4.640 4.249 4.078 4.405 . 0 0 "[ . 1 . 2]" 2
466 1 25 VAL MG2 1 28 TYR HB2 5.350 . 5.350 5.074 4.774 5.332 . 0 0 "[ . 1 . 2]" 2
467 1 25 VAL MG2 1 42 PHE HA 4.000 . 4.000 3.424 3.321 3.545 . 0 0 "[ . 1 . 2]" 2
468 1 25 VAL MG2 1 42 PHE HB2 3.640 . 3.640 3.402 3.316 3.543 . 0 0 "[ . 1 . 2]" 2
469 1 25 VAL MG2 1 42 PHE HB3 3.550 . 3.550 2.033 1.940 2.150 . 0 0 "[ . 1 . 2]" 2
470 1 25 VAL MG2 1 42 PHE QD 3.410 . 3.410 2.092 1.901 2.272 . 0 0 "[ . 1 . 2]" 2
471 1 25 VAL MG2 1 42 PHE QE 4.380 . 4.380 3.826 3.650 3.977 . 0 0 "[ . 1 . 2]" 2
472 1 25 VAL MG2 1 43 VAL H 3.920 . 3.920 3.111 2.936 3.292 . 0 0 "[ . 1 . 2]" 2
473 1 25 VAL MG2 1 44 THR HA 4.140 . 4.140 2.937 2.729 3.119 . 0 0 "[ . 1 . 2]" 2
474 1 25 VAL MG2 1 44 THR MG 3.490 . 3.490 3.102 2.680 3.387 . 0 0 "[ . 1 . 2]" 2
475 1 25 VAL MG2 1 45 ARG H 5.500 . 5.500 4.834 4.518 5.065 . 0 0 "[ . 1 . 2]" 2
476 1 25 VAL MG2 1 62 TYR QD 3.980 . 3.980 3.702 2.913 4.084 0.104 13 0 "[ . 1 . 2]" 2
477 1 26 LYS H 1 26 LYS QG 4.090 . 4.090 4.058 4.016 4.101 0.011 8 0 "[ . 1 . 2]" 2
478 1 26 LYS H 1 27 GLU H 2.910 . 2.910 2.053 1.995 2.158 . 0 0 "[ . 1 . 2]" 2
479 1 26 LYS H 1 27 GLU HA 4.920 . 4.920 4.534 4.440 4.660 . 0 0 "[ . 1 . 2]" 2
480 1 26 LYS H 1 43 VAL H 4.010 . 4.010 4.043 3.969 4.108 0.098 17 0 "[ . 1 . 2]" 2
481 1 26 LYS H 1 43 VAL HB 4.350 . 4.350 4.044 3.817 4.354 0.004 8 0 "[ . 1 . 2]" 2
482 1 26 LYS H 1 43 VAL MG1 4.490 . 4.490 4.159 3.904 4.373 . 0 0 "[ . 1 . 2]" 2
483 1 26 LYS H 1 44 THR HA 3.540 . 3.540 2.653 2.249 2.864 . 0 0 "[ . 1 . 2]" 2
484 1 26 LYS H 1 44 THR HB 5.210 . 5.210 5.035 4.642 5.240 0.030 13 0 "[ . 1 . 2]" 2
485 1 26 LYS H 1 44 THR MG 4.920 . 4.920 4.337 3.894 4.535 . 0 0 "[ . 1 . 2]" 2
486 1 26 LYS H 1 45 ARG H 4.790 . 4.790 4.181 3.847 4.401 . 0 0 "[ . 1 . 2]" 2
487 1 26 LYS HA 1 26 LYS QG 3.540 . 3.540 2.394 2.319 2.462 . 0 0 "[ . 1 . 2]" 2
488 1 26 LYS HA 1 44 THR HA 5.500 . 5.500 5.011 4.580 5.265 . 0 0 "[ . 1 . 2]" 2
489 1 26 LYS HA 1 45 ARG HA 5.500 . 5.500 4.591 4.289 4.887 . 0 0 "[ . 1 . 2]" 2
490 1 26 LYS HA 1 45 ARG HE 5.190 . 5.190 3.466 1.926 5.064 . 0 0 "[ . 1 . 2]" 2
491 1 26 LYS HA 1 45 ARG QD 3.560 . 3.560 2.879 2.332 3.652 0.092 17 0 "[ . 1 . 2]" 2
492 1 26 LYS HE2 1 43 VAL MG1 3.600 . 3.600 3.316 2.869 3.648 0.048 4 0 "[ . 1 . 2]" 2
493 1 26 LYS HE2 1 45 ARG HA 4.750 . 4.750 4.041 3.221 4.423 . 0 0 "[ . 1 . 2]" 2
494 1 26 LYS HE3 1 43 VAL MG1 3.600 . 3.600 2.393 2.054 3.026 . 0 0 "[ . 1 . 2]" 2
495 1 26 LYS HE3 1 45 ARG HA 4.750 . 4.750 3.845 3.044 4.851 0.101 14 0 "[ . 1 . 2]" 2
496 1 26 LYS QB 1 43 VAL MG1 3.900 . 3.900 2.862 2.634 3.202 . 0 0 "[ . 1 . 2]" 2
497 1 26 LYS QB 1 44 THR H 5.080 . 5.080 4.605 4.401 4.826 . 0 0 "[ . 1 . 2]" 2
498 1 26 LYS QB 1 44 THR HA 4.540 . 4.540 3.584 3.226 3.871 . 0 0 "[ . 1 . 2]" 2
499 1 26 LYS QD 1 45 ARG HA 3.530 . 3.530 2.652 2.077 3.192 . 0 0 "[ . 1 . 2]" 2
500 1 26 LYS QE 1 45 ARG HA 3.950 . 3.950 3.467 2.902 3.787 . 0 0 "[ . 1 . 2]" 2
501 1 26 LYS QE 1 46 ARG H 5.340 . 5.340 5.343 4.792 5.494 0.154 8 0 "[ . 1 . 2]" 2
502 1 26 LYS HE2 1 26 LYS QG 3.920 . 3.920 3.489 3.132 3.543 . 0 0 "[ . 1 . 2]" 2
503 1 26 LYS HE3 1 26 LYS QG 3.920 . 3.920 2.784 2.436 2.946 . 0 0 "[ . 1 . 2]" 2
504 1 26 LYS QE 1 26 LYS QG 3.410 . 3.410 2.678 2.356 2.809 . 0 0 "[ . 1 . 2]" 2
505 1 26 LYS QG 1 27 GLU H 4.120 . 4.120 3.768 3.603 3.951 . 0 0 "[ . 1 . 2]" 2
506 1 26 LYS QG 1 27 GLU HA 4.950 . 4.950 4.583 4.332 4.793 . 0 0 "[ . 1 . 2]" 2
507 1 26 LYS QG 1 27 GLU QG 4.840 . 4.840 3.472 2.681 4.201 . 0 0 "[ . 1 . 2]" 2
508 1 26 LYS QG 1 45 ARG HA 4.400 . 4.400 4.017 3.225 4.442 0.042 11 0 "[ . 1 . 2]" 2
509 1 26 LYS QG 1 45 ARG HE 4.980 . 4.980 3.962 2.697 4.614 . 0 0 "[ . 1 . 2]" 2
510 1 26 LYS QG 1 45 ARG QD 4.070 . 4.070 2.963 2.178 3.897 . 0 0 "[ . 1 . 2]" 2
511 1 27 GLU H 1 27 GLU QB 3.520 . 3.520 3.248 3.184 3.315 . 0 0 "[ . 1 . 2]" 2
512 1 27 GLU H 1 27 GLU QG 3.300 . 3.300 2.639 2.462 2.932 . 0 0 "[ . 1 . 2]" 2
513 1 27 GLU H 1 28 TYR H 4.400 . 4.400 4.349 4.322 4.405 0.005 13 0 "[ . 1 . 2]" 2
514 1 27 GLU H 1 42 PHE HA 4.970 . 4.970 4.601 4.462 4.705 . 0 0 "[ . 1 . 2]" 2
515 1 27 GLU H 1 43 VAL H 3.540 . 3.540 3.047 2.984 3.108 . 0 0 "[ . 1 . 2]" 2
516 1 27 GLU H 1 43 VAL HA 5.500 . 5.500 4.848 4.801 4.905 . 0 0 "[ . 1 . 2]" 2
517 1 27 GLU H 1 43 VAL HB 3.370 . 3.370 2.956 2.720 3.177 . 0 0 "[ . 1 . 2]" 2
518 1 27 GLU H 1 43 VAL MG1 4.220 . 4.220 4.020 3.757 4.190 . 0 0 "[ . 1 . 2]" 2
519 1 27 GLU H 1 43 VAL MG2 4.530 . 4.530 4.255 4.043 4.543 0.013 8 0 "[ . 1 . 2]" 2
520 1 27 GLU H 1 44 THR HA 4.740 . 4.740 4.389 4.028 4.666 . 0 0 "[ . 1 . 2]" 2
521 1 27 GLU HA 1 27 GLU QG 3.460 . 3.460 3.348 3.318 3.429 . 0 0 "[ . 1 . 2]" 2
522 1 27 GLU HA 1 28 TYR H 2.920 . 2.920 2.568 2.492 2.713 . 0 0 "[ . 1 . 2]" 2
523 1 27 GLU HA 1 28 TYR QD 4.320 . 4.320 3.523 3.281 3.973 . 0 0 "[ . 1 . 2]" 2
524 1 27 GLU HA 1 43 VAL H 5.460 . 5.460 4.805 4.750 4.867 . 0 0 "[ . 1 . 2]" 2
525 1 27 GLU HA 1 43 VAL HB 5.170 . 5.170 5.010 4.914 5.153 . 0 0 "[ . 1 . 2]" 2
526 1 27 GLU HA 1 66 LEU QB 4.300 . 4.300 3.121 2.433 4.384 0.084 12 0 "[ . 1 . 2]" 2
527 1 27 GLU QB 1 28 TYR H 3.240 . 3.240 2.111 1.920 2.278 . 0 0 "[ . 1 . 2]" 2
528 1 27 GLU QB 1 42 PHE HA 5.700 . 5.700 5.623 5.522 5.712 0.012 4 0 "[ . 1 . 2]" 2
529 1 27 GLU QB 1 43 VAL H 4.750 . 4.750 4.673 4.571 4.795 0.045 20 0 "[ . 1 . 2]" 2
530 1 27 GLU QB 1 43 VAL MG1 4.630 . 4.630 4.782 4.673 4.923 0.293 20 0 "[ . 1 . 2]" 2
531 1 27 GLU QG 1 28 TYR H 3.110 . 3.110 3.135 2.837 3.225 0.115 5 0 "[ . 1 . 2]" 2
532 1 27 GLU QG 1 43 VAL H 4.060 . 4.060 3.129 2.890 3.380 . 0 0 "[ . 1 . 2]" 2
533 1 27 GLU QG 1 43 VAL HB 3.780 . 3.780 2.011 1.794 2.289 . 0 0 "[ . 1 . 2]" 2
534 1 27 GLU QG 1 43 VAL MG1 3.580 . 3.580 3.161 2.964 3.599 0.019 16 0 "[ . 1 . 2]" 2
535 1 27 GLU QG 1 43 VAL MG2 3.320 . 3.320 2.575 2.296 2.917 . 0 0 "[ . 1 . 2]" 2
536 1 28 TYR H 1 28 TYR HB3 3.940 . 3.940 3.089 2.966 3.216 . 0 0 "[ . 1 . 2]" 2
537 1 28 TYR H 1 28 TYR QD 3.210 . 3.210 2.526 2.233 2.740 . 0 0 "[ . 1 . 2]" 2
538 1 28 TYR H 1 29 PHE H 4.530 . 4.530 4.392 4.284 4.450 . 0 0 "[ . 1 . 2]" 2
539 1 28 TYR H 1 29 PHE HA 5.020 . 5.020 4.832 4.664 4.937 . 0 0 "[ . 1 . 2]" 2
540 1 28 TYR H 1 29 PHE QB 4.880 . 4.880 4.760 4.559 5.193 0.313 16 0 "[ . 1 . 2]" 2
541 1 28 TYR H 1 42 PHE HA 5.090 . 5.090 4.804 4.666 4.893 . 0 0 "[ . 1 . 2]" 2
542 1 28 TYR H 1 42 PHE QD 4.820 . 4.820 4.840 4.788 4.900 0.080 2 0 "[ . 1 . 2]" 2
543 1 28 TYR H 1 42 PHE QE 5.500 . 5.500 5.512 5.442 5.574 0.074 14 0 "[ . 1 . 2]" 2
544 1 28 TYR H 1 43 VAL HB 5.500 . 5.500 5.286 5.156 5.423 . 0 0 "[ . 1 . 2]" 2
545 1 28 TYR H 1 66 LEU QB 5.340 . 5.340 3.925 3.095 5.376 0.036 13 0 "[ . 1 . 2]" 2
546 1 28 TYR HA 1 28 TYR QD 4.290 . 4.290 3.752 3.723 3.765 . 0 0 "[ . 1 . 2]" 2
547 1 28 TYR HA 1 29 PHE H 3.120 . 3.120 2.371 2.254 2.524 . 0 0 "[ . 1 . 2]" 2
548 1 28 TYR HA 1 40 VAL QG 4.770 . 4.770 4.322 3.367 4.844 0.074 4 0 "[ . 1 . 2]" 2
549 1 28 TYR HA 1 42 PHE HA 3.960 . 3.960 2.180 2.038 2.338 . 0 0 "[ . 1 . 2]" 2
550 1 28 TYR HA 1 42 PHE QD 4.420 . 4.420 3.381 3.226 3.599 . 0 0 "[ . 1 . 2]" 2
551 1 28 TYR HA 1 42 PHE QE 4.760 . 4.760 4.519 4.284 4.707 . 0 0 "[ . 1 . 2]" 2
552 1 28 TYR HA 1 43 VAL H 3.960 . 3.960 3.021 2.789 3.279 . 0 0 "[ . 1 . 2]" 2
553 1 28 TYR HA 1 43 VAL MG2 4.950 . 4.950 3.727 3.452 4.276 . 0 0 "[ . 1 . 2]" 2
554 1 28 TYR HA 1 63 ILE QG 5.500 . 5.500 5.363 4.885 5.579 0.079 8 0 "[ . 1 . 2]" 2
555 1 28 TYR HB2 1 29 PHE H 3.490 . 3.490 2.631 2.326 2.807 . 0 0 "[ . 1 . 2]" 2
556 1 28 TYR HB2 1 40 VAL HB 5.500 . 5.500 3.621 2.821 4.806 . 0 0 "[ . 1 . 2]" 2
557 1 28 TYR HB2 1 40 VAL QG 3.740 . 3.740 2.985 2.107 3.563 . 0 0 "[ . 1 . 2]" 2
558 1 28 TYR HB2 1 42 PHE HA 4.730 . 4.730 3.670 3.492 4.010 . 0 0 "[ . 1 . 2]" 2
559 1 28 TYR HB2 1 42 PHE QD 4.970 . 4.970 3.523 2.990 3.800 . 0 0 "[ . 1 . 2]" 2
560 1 28 TYR HB2 1 63 ILE QG 5.170 . 5.170 3.278 2.805 3.503 . 0 0 "[ . 1 . 2]" 2
561 1 28 TYR HB3 1 29 PHE H 4.020 . 4.020 3.958 3.770 4.072 0.052 8 0 "[ . 1 . 2]" 2
562 1 28 TYR HB3 1 40 VAL QG 5.020 . 5.020 4.099 3.312 4.699 . 0 0 "[ . 1 . 2]" 2
563 1 28 TYR HB3 1 42 PHE QD 4.360 . 4.360 2.682 2.405 2.951 . 0 0 "[ . 1 . 2]" 2
564 1 28 TYR HB3 1 63 ILE QG 4.690 . 4.690 3.598 2.904 4.118 . 0 0 "[ . 1 . 2]" 2
565 1 28 TYR QD 1 29 PHE H 3.570 . 3.570 3.230 2.970 3.577 0.007 10 0 "[ . 1 . 2]" 2
566 1 28 TYR QD 1 29 PHE HA 4.360 . 4.360 3.696 3.447 4.115 . 0 0 "[ . 1 . 2]" 2
567 1 28 TYR QD 1 40 VAL MG1 3.900 . 3.900 2.676 2.227 3.088 . 0 0 "[ . 1 . 2]" 2
568 1 28 TYR QD 1 40 VAL MG2 3.900 . 3.900 3.898 3.642 4.002 0.102 15 0 "[ . 1 . 2]" 2
569 1 28 TYR QD 1 40 VAL QG 3.190 . 3.190 2.624 2.210 2.984 . 0 0 "[ . 1 . 2]" 2
570 1 28 TYR QD 1 41 VAL H 5.040 . 5.040 4.640 4.184 5.063 0.023 6 0 "[ . 1 . 2]" 2
571 1 28 TYR QD 1 63 ILE HA 4.480 . 4.480 3.429 3.015 3.702 . 0 0 "[ . 1 . 2]" 2
572 1 28 TYR QD 1 63 ILE MG 4.000 . 4.000 3.583 3.278 3.824 . 0 0 "[ . 1 . 2]" 2
573 1 28 TYR QD 1 66 LEU H 5.460 . 5.460 4.696 4.246 5.318 . 0 0 "[ . 1 . 2]" 2
574 1 28 TYR QD 1 66 LEU HA 5.880 . 5.880 4.901 4.329 5.954 0.074 15 0 "[ . 1 . 2]" 2
575 1 28 TYR QD 1 66 LEU HB2 4.850 . 4.850 2.742 1.976 4.779 . 0 0 "[ . 1 . 2]" 2
576 1 28 TYR QD 1 66 LEU HB3 4.850 . 4.850 2.762 2.185 4.640 . 0 0 "[ . 1 . 2]" 2
577 1 28 TYR QD 1 66 LEU QB 4.250 . 4.250 2.434 1.873 4.146 . 0 0 "[ . 1 . 2]" 2
578 1 28 TYR QE 1 63 ILE MG 4.120 . 4.120 2.710 2.470 2.859 . 0 0 "[ . 1 . 2]" 2
579 1 28 TYR QE 1 67 GLU H 4.110 . 4.110 3.207 2.902 3.987 . 0 0 "[ . 1 . 2]" 2
580 1 28 TYR QE 1 67 GLU HA 4.690 . 4.690 2.675 2.135 3.437 . 0 0 "[ . 1 . 2]" 2
581 1 28 TYR QE 1 67 GLU HG2 4.700 . 4.700 4.501 4.236 4.725 0.025 12 0 "[ . 1 . 2]" 2
582 1 28 TYR QE 1 67 GLU HG3 5.210 . 5.210 5.179 4.949 5.323 0.113 12 0 "[ . 1 . 2]" 2
583 1 29 PHE H 1 29 PHE HB2 4.170 . 4.170 3.156 2.675 3.358 . 0 0 "[ . 1 . 2]" 2
584 1 29 PHE H 1 29 PHE HB3 4.170 . 4.170 3.123 2.832 3.823 . 0 0 "[ . 1 . 2]" 2
585 1 29 PHE H 1 29 PHE QD 5.170 . 5.170 4.356 3.777 4.520 . 0 0 "[ . 1 . 2]" 2
586 1 29 PHE H 1 30 TYR H 4.550 . 4.550 4.329 4.248 4.378 . 0 0 "[ . 1 . 2]" 2
587 1 29 PHE H 1 40 VAL HA 4.560 . 4.560 4.132 3.869 4.389 . 0 0 "[ . 1 . 2]" 2
588 1 29 PHE H 1 40 VAL HB 4.870 . 4.870 3.890 3.155 5.069 0.199 13 0 "[ . 1 . 2]" 2
589 1 29 PHE H 1 40 VAL MG1 4.710 . 4.710 3.615 2.402 4.474 . 0 0 "[ . 1 . 2]" 2
590 1 29 PHE H 1 40 VAL MG2 4.710 . 4.710 4.614 4.309 4.785 0.075 16 0 "[ . 1 . 2]" 2
591 1 29 PHE H 1 40 VAL QG 3.760 . 3.760 3.382 2.394 3.981 0.221 17 0 "[ . 1 . 2]" 2
592 1 29 PHE H 1 41 VAL H 3.370 . 3.370 2.625 2.407 2.858 . 0 0 "[ . 1 . 2]" 2
593 1 29 PHE H 1 41 VAL HB 3.900 . 3.900 3.584 3.354 3.887 . 0 0 "[ . 1 . 2]" 2
594 1 29 PHE H 1 41 VAL QG 4.340 . 4.340 4.000 3.873 4.188 . 0 0 "[ . 1 . 2]" 2
595 1 29 PHE H 1 42 PHE HA 4.090 . 4.090 3.666 3.351 3.839 . 0 0 "[ . 1 . 2]" 2
596 1 29 PHE H 1 42 PHE QD 5.440 . 5.440 4.918 4.772 5.067 . 0 0 "[ . 1 . 2]" 2
597 1 29 PHE H 1 43 VAL H 5.500 . 5.500 4.868 4.416 5.109 . 0 0 "[ . 1 . 2]" 2
598 1 29 PHE HA 1 30 TYR H 3.120 . 3.120 2.405 2.179 2.594 . 0 0 "[ . 1 . 2]" 2
599 1 29 PHE QB 1 30 TYR H 4.010 . 4.010 3.153 2.080 3.680 . 0 0 "[ . 1 . 2]" 2
600 1 29 PHE QB 1 41 VAL QG 5.340 . 5.340 3.259 2.911 3.675 . 0 0 "[ . 1 . 2]" 2
601 1 29 PHE QD 1 30 TYR H 3.810 . 3.810 3.021 2.682 3.355 . 0 0 "[ . 1 . 2]" 2
602 1 30 TYR H 1 30 TYR HB2 3.710 . 3.710 2.487 2.319 2.607 . 0 0 "[ . 1 . 2]" 2
603 1 30 TYR H 1 30 TYR HB3 3.710 . 3.710 3.665 3.584 3.744 0.034 13 0 "[ . 1 . 2]" 2
604 1 30 TYR H 1 30 TYR QB 3.110 . 3.110 2.448 2.292 2.556 . 0 0 "[ . 1 . 2]" 2
605 1 30 TYR H 1 30 TYR QD 4.160 . 4.160 2.673 2.324 3.337 . 0 0 "[ . 1 . 2]" 2
606 1 30 TYR H 1 31 THR H 4.770 . 4.770 4.545 4.463 4.635 . 0 0 "[ . 1 . 2]" 2
607 1 30 TYR H 1 40 VAL MG1 5.290 . 5.290 4.527 4.028 4.964 . 0 0 "[ . 1 . 2]" 2
608 1 30 TYR H 1 41 VAL H 5.030 . 5.030 4.591 4.351 4.789 . 0 0 "[ . 1 . 2]" 2
609 1 30 TYR HA 1 30 TYR QD 4.220 . 4.220 2.878 2.433 3.018 . 0 0 "[ . 1 . 2]" 2
610 1 30 TYR HA 1 30 TYR QE 4.810 . 4.810 4.619 4.453 4.738 . 0 0 "[ . 1 . 2]" 2
611 1 30 TYR HA 1 31 THR H 2.960 . 2.960 2.303 2.214 2.419 . 0 0 "[ . 1 . 2]" 2
612 1 30 TYR HA 1 31 THR MG 4.110 . 4.110 3.908 3.759 4.059 . 0 0 "[ . 1 . 2]" 2
613 1 30 TYR HA 1 38 LEU QD 4.600 . 4.600 3.721 3.371 4.368 . 0 0 "[ . 1 . 2]" 2
614 1 30 TYR HA 1 39 ALA H 5.300 . 5.300 4.645 4.445 4.885 . 0 0 "[ . 1 . 2]" 2
615 1 30 TYR HA 1 40 VAL HA 3.710 . 3.710 2.366 1.988 2.700 . 0 0 "[ . 1 . 2]" 2
616 1 30 TYR HA 1 40 VAL MG1 4.950 . 4.950 2.917 2.211 3.663 . 0 0 "[ . 1 . 2]" 2
617 1 30 TYR HA 1 40 VAL MG2 4.950 . 4.950 4.372 3.382 4.943 . 0 0 "[ . 1 . 2]" 2
618 1 30 TYR HA 1 40 VAL QG 3.650 . 3.650 2.782 2.207 3.281 . 0 0 "[ . 1 . 2]" 2
619 1 30 TYR HA 1 41 VAL H 3.720 . 3.720 3.384 2.962 3.696 . 0 0 "[ . 1 . 2]" 2
620 1 30 TYR HB2 1 31 THR H 4.070 . 4.070 3.841 3.435 4.071 0.001 6 0 "[ . 1 . 2]" 2
621 1 30 TYR HB3 1 31 THR H 4.070 . 4.070 2.684 2.400 2.992 . 0 0 "[ . 1 . 2]" 2
622 1 30 TYR QB 1 31 THR H 3.380 . 3.380 2.635 2.367 2.920 . 0 0 "[ . 1 . 2]" 2
623 1 30 TYR QB 1 38 LEU QD 3.830 . 3.830 2.470 1.909 3.295 . 0 0 "[ . 1 . 2]" 2
624 1 30 TYR QB 1 40 VAL QG 4.520 . 4.520 3.867 3.354 4.293 . 0 0 "[ . 1 . 2]" 2
625 1 30 TYR QD 1 31 THR H 4.090 . 4.090 3.722 3.403 3.969 . 0 0 "[ . 1 . 2]" 2
626 1 30 TYR QD 1 38 LEU QD 3.570 . 3.570 2.179 1.829 2.552 . 0 0 "[ . 1 . 2]" 2
627 1 30 TYR QD 1 40 VAL QG 3.540 . 3.540 2.695 2.021 3.215 . 0 0 "[ . 1 . 2]" 2
628 1 30 TYR QE 1 38 LEU QD 4.130 . 4.130 3.073 1.976 3.803 . 0 0 "[ . 1 . 2]" 2
629 1 30 TYR QE 1 40 VAL QG 3.370 . 3.370 2.887 2.168 3.303 . 0 0 "[ . 1 . 2]" 2
630 1 30 TYR QE 1 54 PRO QB 5.120 . 5.120 4.030 3.312 4.865 . 0 0 "[ . 1 . 2]" 2
631 1 31 THR H 1 31 THR HB 4.190 . 4.190 3.571 3.545 3.600 . 0 0 "[ . 1 . 2]" 2
632 1 31 THR H 1 31 THR MG 3.160 . 3.160 2.501 2.333 2.617 . 0 0 "[ . 1 . 2]" 2
633 1 31 THR H 1 32 SER H 4.620 . 4.620 4.583 4.493 4.628 0.008 10 0 "[ . 1 . 2]" 2
634 1 31 THR H 1 38 LEU HA 5.290 . 5.290 4.384 4.092 4.955 . 0 0 "[ . 1 . 2]" 2
635 1 31 THR H 1 38 LEU QD 4.310 . 4.310 2.977 2.541 3.735 . 0 0 "[ . 1 . 2]" 2
636 1 31 THR H 1 39 ALA H 3.830 . 3.830 2.972 2.741 3.374 . 0 0 "[ . 1 . 2]" 2
637 1 31 THR H 1 39 ALA MB 4.350 . 4.350 3.976 3.793 4.182 . 0 0 "[ . 1 . 2]" 2
638 1 31 THR H 1 40 VAL HA 3.660 . 3.660 3.404 3.107 3.682 0.022 16 0 "[ . 1 . 2]" 2
639 1 31 THR H 1 40 VAL MG1 5.500 . 5.500 4.417 3.681 5.254 . 0 0 "[ . 1 . 2]" 2
640 1 31 THR H 1 40 VAL MG2 5.640 . 5.640 5.298 4.534 5.777 0.137 15 0 "[ . 1 . 2]" 2
641 1 31 THR H 1 40 VAL QG 4.240 . 4.240 4.067 3.629 4.413 0.173 5 0 "[ . 1 . 2]" 2
642 1 31 THR H 1 41 VAL H 5.200 . 5.200 4.638 4.266 5.009 . 0 0 "[ . 1 . 2]" 2
643 1 31 THR H 1 41 VAL QG 5.130 . 5.130 3.857 3.334 4.431 . 0 0 "[ . 1 . 2]" 2
644 1 31 THR HA 1 31 THR MG 3.440 . 3.440 2.223 2.183 2.284 . 0 0 "[ . 1 . 2]" 2
645 1 31 THR HA 1 32 SER H 3.440 . 3.440 2.481 2.348 2.658 . 0 0 "[ . 1 . 2]" 2
646 1 31 THR HA 1 32 SER HA 4.650 . 4.650 4.282 4.245 4.328 . 0 0 "[ . 1 . 2]" 2
647 1 31 THR HA 1 39 ALA H 5.500 . 5.500 4.902 4.619 5.501 0.001 11 0 "[ . 1 . 2]" 2
648 1 31 THR HA 1 41 VAL QG 4.780 . 4.780 3.179 2.918 3.522 . 0 0 "[ . 1 . 2]" 2
649 1 31 THR HB 1 32 SER H 3.890 . 3.890 2.218 1.945 2.537 . 0 0 "[ . 1 . 2]" 2
650 1 31 THR HB 1 39 ALA MB 3.940 . 3.940 3.990 3.810 4.085 0.145 15 0 "[ . 1 . 2]" 2
651 1 31 THR MG 1 32 SER H 3.840 . 3.840 3.339 3.173 3.449 . 0 0 "[ . 1 . 2]" 2
652 1 31 THR MG 1 39 ALA H 3.940 . 3.940 2.818 2.556 3.373 . 0 0 "[ . 1 . 2]" 2
653 1 31 THR MG 1 39 ALA HA 4.290 . 4.290 3.989 3.821 4.176 . 0 0 "[ . 1 . 2]" 2
654 1 31 THR MG 1 39 ALA MB 3.130 . 3.130 1.859 1.783 1.943 . 0 0 "[ . 1 . 2]" 2
655 1 31 THR MG 1 40 VAL H 4.030 . 4.030 3.916 3.637 4.156 0.126 7 0 "[ . 1 . 2]" 2
656 1 31 THR MG 1 41 VAL H 4.370 . 4.370 4.241 3.775 4.407 0.037 15 0 "[ . 1 . 2]" 2
657 1 31 THR MG 1 41 VAL HA 5.310 . 5.310 4.810 4.493 5.102 . 0 0 "[ . 1 . 2]" 2
658 1 31 THR MG 1 41 VAL HB 4.970 . 4.970 4.711 4.232 5.005 0.035 19 0 "[ . 1 . 2]" 2
659 1 31 THR MG 1 41 VAL QG 2.890 . 2.890 2.472 2.097 2.779 . 0 0 "[ . 1 . 2]" 2
660 1 32 SER H 1 32 SER HB2 3.760 . 3.760 2.525 2.400 2.635 . 0 0 "[ . 1 . 2]" 2
661 1 32 SER H 1 32 SER HB3 3.760 . 3.760 3.507 2.505 3.582 . 0 0 "[ . 1 . 2]" 2
662 1 32 SER H 1 33 SER H 4.820 . 4.820 4.608 4.537 4.643 . 0 0 "[ . 1 . 2]" 2
663 1 32 SER HA 1 33 SER H 2.740 . 2.740 2.299 2.157 2.473 . 0 0 "[ . 1 . 2]" 2
664 1 32 SER HA 1 34 LYS H 4.490 . 4.490 3.861 3.617 4.260 . 0 0 "[ . 1 . 2]" 2
665 1 32 SER HB2 1 34 LYS H 4.160 . 4.160 3.152 2.812 4.006 . 0 0 "[ . 1 . 2]" 2
666 1 32 SER HB3 1 34 LYS H 4.160 . 4.160 2.635 2.394 2.882 . 0 0 "[ . 1 . 2]" 2
667 1 32 SER QB 1 33 SER H 3.840 . 3.840 2.733 2.328 3.414 . 0 0 "[ . 1 . 2]" 2
668 1 32 SER QB 1 34 LYS H 3.340 . 3.340 2.498 2.339 2.776 . 0 0 "[ . 1 . 2]" 2
669 1 32 SER QB 1 34 LYS HB2 4.590 . 4.590 2.971 2.703 3.265 . 0 0 "[ . 1 . 2]" 2
670 1 32 SER QB 1 34 LYS QG 3.920 . 3.920 3.317 2.512 3.762 . 0 0 "[ . 1 . 2]" 2
671 1 32 SER QB 1 35 CYS H 4.320 . 4.320 3.083 2.734 3.396 . 0 0 "[ . 1 . 2]" 2
672 1 32 SER QB 1 35 CYS QB 4.180 . 4.180 3.885 3.518 4.241 0.061 7 0 "[ . 1 . 2]" 2
673 1 33 SER H 1 33 SER QB 3.250 . 3.250 2.492 2.250 2.710 . 0 0 "[ . 1 . 2]" 2
674 1 33 SER H 1 34 LYS H 3.480 . 3.480 2.533 2.416 2.641 . 0 0 "[ . 1 . 2]" 2
675 1 33 SER H 1 34 LYS HB2 5.200 . 5.200 4.768 4.598 4.974 . 0 0 "[ . 1 . 2]" 2
676 1 33 SER H 1 34 LYS QG 4.340 . 4.340 3.930 3.334 4.317 . 0 0 "[ . 1 . 2]" 2
677 1 33 SER H 1 35 CYS H 4.460 . 4.460 4.153 3.996 4.289 . 0 0 "[ . 1 . 2]" 2
678 1 33 SER HA 1 35 CYS H 3.680 . 3.680 3.584 3.402 3.729 0.049 5 0 "[ . 1 . 2]" 2
679 1 33 SER QB 1 34 LYS H 4.040 . 4.040 3.214 2.915 3.812 . 0 0 "[ . 1 . 2]" 2
680 1 33 SER QB 1 35 CYS H 4.620 . 4.620 4.637 4.524 4.740 0.120 7 0 "[ . 1 . 2]" 2
681 1 34 LYS H 1 34 LYS HB2 3.430 . 3.430 2.453 2.315 2.628 . 0 0 "[ . 1 . 2]" 2
682 1 34 LYS H 1 34 LYS HB3 3.770 . 3.770 3.603 3.556 3.641 . 0 0 "[ . 1 . 2]" 2
683 1 34 LYS H 1 34 LYS QD 3.820 . 3.820 3.587 3.062 3.854 0.034 17 0 "[ . 1 . 2]" 2
684 1 34 LYS H 1 34 LYS QG 3.050 . 3.050 2.384 2.020 2.662 . 0 0 "[ . 1 . 2]" 2
685 1 34 LYS H 1 35 CYS H 3.190 . 3.190 2.433 2.280 2.547 . 0 0 "[ . 1 . 2]" 2
686 1 34 LYS HA 1 34 LYS HD2 4.240 . 4.240 3.000 2.784 3.177 . 0 0 "[ . 1 . 2]" 2
687 1 34 LYS HA 1 34 LYS HD3 4.240 . 4.240 2.117 1.976 2.323 . 0 0 "[ . 1 . 2]" 2
688 1 34 LYS HA 1 34 LYS HE2 5.460 . 5.460 4.458 4.215 4.912 . 0 0 "[ . 1 . 2]" 2
689 1 34 LYS HA 1 34 LYS HE3 5.460 . 5.460 4.679 4.169 5.016 . 0 0 "[ . 1 . 2]" 2
690 1 34 LYS HA 1 34 LYS QE 4.650 . 4.650 4.040 3.825 4.237 . 0 0 "[ . 1 . 2]" 2
691 1 34 LYS HA 1 34 LYS QG 3.240 . 3.240 2.926 2.796 3.117 . 0 0 "[ . 1 . 2]" 2
692 1 34 LYS HB2 1 35 CYS H 3.860 . 3.860 3.192 2.901 3.513 . 0 0 "[ . 1 . 2]" 2
693 1 34 LYS HB3 1 35 CYS H 4.510 . 4.510 4.053 3.838 4.199 . 0 0 "[ . 1 . 2]" 2
694 1 34 LYS QG 1 35 CYS H 4.510 . 4.510 4.276 3.952 4.504 . 0 0 "[ . 1 . 2]" 2
695 1 35 CYS H 1 35 CYS QB 3.130 . 3.130 2.449 2.366 2.533 . 0 0 "[ . 1 . 2]" 2
696 1 35 CYS H 1 36 SER H 4.660 . 4.660 4.548 4.414 4.602 . 0 0 "[ . 1 . 2]" 2
697 1 35 CYS HA 1 36 SER H 3.100 . 3.100 2.208 2.110 2.354 . 0 0 "[ . 1 . 2]" 2
698 1 35 CYS HA 1 37 ASN H 4.280 . 4.280 3.765 3.447 4.116 . 0 0 "[ . 1 . 2]" 2
699 1 35 CYS HB2 1 36 SER H 4.160 . 4.160 3.990 3.680 4.251 0.091 3 0 "[ . 1 . 2]" 2
700 1 35 CYS HB2 1 37 ASN H 4.400 . 4.400 3.563 2.879 4.373 . 0 0 "[ . 1 . 2]" 2
701 1 35 CYS HB3 1 36 SER H 4.160 . 4.160 3.016 2.575 3.553 . 0 0 "[ . 1 . 2]" 2
702 1 35 CYS HB3 1 37 ASN H 4.400 . 4.400 2.687 2.199 3.285 . 0 0 "[ . 1 . 2]" 2
703 1 35 CYS QB 1 36 SER H 3.440 . 3.440 2.928 2.528 3.383 . 0 0 "[ . 1 . 2]" 2
704 1 35 CYS QB 1 37 ASN H 3.610 . 3.610 2.607 2.152 3.196 . 0 0 "[ . 1 . 2]" 2
705 1 36 SER H 1 37 ASN H 3.170 . 3.170 2.475 2.245 2.668 . 0 0 "[ . 1 . 2]" 2
706 1 36 SER H 1 37 ASN HA 5.290 . 5.290 5.114 4.965 5.276 . 0 0 "[ . 1 . 2]" 2
707 1 36 SER H 1 37 ASN QB 4.930 . 4.930 4.461 3.999 4.956 0.026 7 0 "[ . 1 . 2]" 2
708 1 37 ASN H 1 37 ASN QB 3.150 . 3.150 2.655 2.290 3.217 0.067 8 0 "[ . 1 . 2]" 2
709 1 37 ASN H 1 38 LEU H 5.010 . 5.010 4.355 4.154 4.493 . 0 0 "[ . 1 . 2]" 2
710 1 37 ASN HA 1 38 LEU H 2.650 . 2.650 2.244 2.111 2.590 . 0 0 "[ . 1 . 2]" 2
711 1 37 ASN HA 1 38 LEU HA 4.860 . 4.860 4.359 4.318 4.424 . 0 0 "[ . 1 . 2]" 2
712 1 37 ASN HA 1 38 LEU QB 4.150 . 4.150 4.050 3.961 4.142 . 0 0 "[ . 1 . 2]" 2
713 1 37 ASN QB 1 38 LEU H 4.260 . 4.260 3.259 2.176 3.968 . 0 0 "[ . 1 . 2]" 2
714 1 37 ASN QD 1 38 LEU H 4.380 . 4.380 3.593 2.551 4.392 0.012 12 0 "[ . 1 . 2]" 2
715 1 37 ASN QD 1 39 ALA H 4.660 . 4.660 3.941 3.673 4.578 . 0 0 "[ . 1 . 2]" 2
716 1 37 ASN QD 1 39 ALA MB 3.640 . 3.640 2.180 1.775 2.429 . 0 0 "[ . 1 . 2]" 2
717 1 37 ASN QD 1 53 ASN QB 5.000 . 5.000 4.642 4.051 5.112 0.112 11 0 "[ . 1 . 2]" 2
718 1 38 LEU H 1 38 LEU QB 2.630 . 2.630 2.310 2.237 2.463 . 0 0 "[ . 1 . 2]" 2
719 1 38 LEU H 1 38 LEU MD1 4.360 . 4.360 4.211 4.148 4.281 . 0 0 "[ . 1 . 2]" 2
720 1 38 LEU H 1 38 LEU MD2 4.360 . 4.360 4.172 3.172 4.392 0.032 2 0 "[ . 1 . 2]" 2
721 1 38 LEU H 1 39 ALA H 4.750 . 4.750 4.408 4.296 4.479 . 0 0 "[ . 1 . 2]" 2
722 1 38 LEU HA 1 38 LEU HG 3.890 . 3.890 3.423 3.065 3.767 . 0 0 "[ . 1 . 2]" 2
723 1 38 LEU HA 1 38 LEU QD 2.960 . 2.960 2.033 1.850 2.131 . 0 0 "[ . 1 . 2]" 2
724 1 38 LEU HA 1 39 ALA H 2.720 . 2.720 2.125 2.088 2.173 . 0 0 "[ . 1 . 2]" 2
725 1 38 LEU HA 1 39 ALA MB 4.200 . 4.200 3.972 3.926 4.002 . 0 0 "[ . 1 . 2]" 2
726 1 38 LEU HB2 1 39 ALA H 4.520 . 4.520 4.304 4.204 4.418 . 0 0 "[ . 1 . 2]" 2
727 1 38 LEU HB3 1 39 ALA H 4.520 . 4.520 4.129 3.330 4.245 . 0 0 "[ . 1 . 2]" 2
728 1 38 LEU HG 1 39 ALA H 4.730 . 4.730 3.966 3.026 4.883 0.153 12 0 "[ . 1 . 2]" 2
729 1 38 LEU HG 1 54 PRO QB 5.130 . 5.130 4.855 3.810 5.350 0.220 12 0 "[ . 1 . 2]" 2
730 1 38 LEU QB 1 39 ALA H 3.910 . 3.910 3.742 3.229 3.830 . 0 0 "[ . 1 . 2]" 2
731 1 38 LEU MD1 1 39 ALA H 4.470 . 4.470 2.504 2.249 2.804 . 0 0 "[ . 1 . 2]" 2
732 1 38 LEU MD2 1 39 ALA H 4.470 . 4.470 3.620 2.287 4.637 0.167 2 0 "[ . 1 . 2]" 2
733 1 38 LEU QD 1 39 ALA H 3.230 . 3.230 2.352 2.164 2.541 . 0 0 "[ . 1 . 2]" 2
734 1 38 LEU QD 1 39 ALA HA 4.250 . 4.250 3.586 2.769 4.279 0.029 7 0 "[ . 1 . 2]" 2
735 1 38 LEU QD 1 40 VAL HA 4.700 . 4.700 4.440 3.765 4.802 0.102 2 0 "[ . 1 . 2]" 2
736 1 38 LEU QD 1 54 PRO QB 5.180 . 5.180 3.604 2.775 4.610 . 0 0 "[ . 1 . 2]" 2
737 1 38 LEU QD 1 54 PRO QG 4.010 . 4.010 2.606 1.793 3.727 . 0 0 "[ . 1 . 2]" 2
738 1 39 ALA H 1 39 ALA MB 2.960 . 2.960 2.596 2.506 2.680 . 0 0 "[ . 1 . 2]" 2
739 1 39 ALA H 1 40 VAL HA 4.800 . 4.800 4.622 4.475 4.774 . 0 0 "[ . 1 . 2]" 2
740 1 39 ALA HA 1 40 VAL H 3.120 . 3.120 2.450 2.265 2.585 . 0 0 "[ . 1 . 2]" 2
741 1 39 ALA HA 1 40 VAL QG 3.940 . 3.940 3.192 3.118 3.264 . 0 0 "[ . 1 . 2]" 2
742 1 39 ALA HA 1 53 ASN HA 4.420 . 4.420 2.807 2.374 3.395 . 0 0 "[ . 1 . 2]" 2
743 1 39 ALA HA 1 53 ASN QD 5.070 . 5.070 3.909 2.647 4.979 . 0 0 "[ . 1 . 2]" 2
744 1 39 ALA MB 1 40 VAL H 2.990 . 2.990 2.321 2.142 2.623 . 0 0 "[ . 1 . 2]" 2
745 1 39 ALA MB 1 40 VAL MG1 5.300 . 5.300 4.513 4.105 5.189 . 0 0 "[ . 1 . 2]" 2
746 1 39 ALA MB 1 40 VAL MG2 5.300 . 5.300 3.906 3.700 4.126 . 0 0 "[ . 1 . 2]" 2
747 1 39 ALA MB 1 40 VAL QG 4.260 . 4.260 3.669 3.458 3.974 . 0 0 "[ . 1 . 2]" 2
748 1 39 ALA MB 1 41 VAL QG 4.320 . 4.320 3.751 3.442 4.019 . 0 0 "[ . 1 . 2]" 2
749 1 39 ALA MB 1 51 CYS QB 3.930 . 3.930 3.179 2.697 4.006 0.076 16 0 "[ . 1 . 2]" 2
750 1 39 ALA MB 1 52 ALA H 3.920 . 3.920 3.232 2.775 3.484 . 0 0 "[ . 1 . 2]" 2
751 1 39 ALA MB 1 52 ALA HA 5.110 . 5.110 4.396 3.993 4.896 . 0 0 "[ . 1 . 2]" 2
752 1 39 ALA MB 1 53 ASN HA 4.490 . 4.490 3.076 2.839 3.529 . 0 0 "[ . 1 . 2]" 2
753 1 39 ALA MB 1 54 PRO QD 4.350 . 4.350 3.262 2.850 3.608 . 0 0 "[ . 1 . 2]" 2
754 1 40 VAL H 1 40 VAL HB 4.070 . 4.070 3.413 2.657 3.869 . 0 0 "[ . 1 . 2]" 2
755 1 40 VAL H 1 40 VAL MG1 3.990 . 3.990 3.263 2.749 3.879 . 0 0 "[ . 1 . 2]" 2
756 1 40 VAL H 1 40 VAL MG2 3.990 . 3.990 2.265 2.027 2.499 . 0 0 "[ . 1 . 2]" 2
757 1 40 VAL H 1 40 VAL QG 3.290 . 3.290 2.221 1.981 2.470 . 0 0 "[ . 1 . 2]" 2
758 1 40 VAL H 1 41 VAL H 4.510 . 4.510 4.367 4.285 4.455 . 0 0 "[ . 1 . 2]" 2
759 1 40 VAL H 1 52 ALA H 3.860 . 3.860 2.911 2.693 3.200 . 0 0 "[ . 1 . 2]" 2
760 1 40 VAL H 1 52 ALA MB 4.370 . 4.370 4.057 3.945 4.329 . 0 0 "[ . 1 . 2]" 2
761 1 40 VAL H 1 53 ASN H 5.500 . 5.500 4.932 4.677 5.275 . 0 0 "[ . 1 . 2]" 2
762 1 40 VAL H 1 54 PRO QB 5.400 . 5.400 4.651 4.258 5.246 . 0 0 "[ . 1 . 2]" 2
763 1 40 VAL H 1 54 PRO QG 5.150 . 5.150 4.809 4.096 5.191 0.041 19 0 "[ . 1 . 2]" 2
764 1 40 VAL HA 1 40 VAL MG1 3.420 . 3.420 2.319 2.268 2.381 . 0 0 "[ . 1 . 2]" 2
765 1 40 VAL HA 1 40 VAL MG2 3.420 . 3.420 2.947 2.447 3.210 . 0 0 "[ . 1 . 2]" 2
766 1 40 VAL HA 1 40 VAL QG 2.970 . 2.970 2.216 2.129 2.321 . 0 0 "[ . 1 . 2]" 2
767 1 40 VAL HA 1 41 VAL H 2.990 . 2.990 2.162 2.074 2.330 . 0 0 "[ . 1 . 2]" 2
768 1 40 VAL HA 1 41 VAL QG 4.860 . 4.860 3.289 3.136 3.420 . 0 0 "[ . 1 . 2]" 2
769 1 40 VAL HA 1 52 ALA H 5.250 . 5.250 4.778 4.690 5.021 . 0 0 "[ . 1 . 2]" 2
770 1 40 VAL HB 1 41 VAL H 3.970 . 3.970 3.109 2.405 4.035 0.065 20 0 "[ . 1 . 2]" 2
771 1 40 VAL HB 1 41 VAL HA 5.420 . 5.420 4.600 4.392 4.823 . 0 0 "[ . 1 . 2]" 2
772 1 40 VAL HB 1 59 VAL QG 4.570 . 4.570 3.527 2.385 4.215 . 0 0 "[ . 1 . 2]" 2
773 1 40 VAL MG1 1 41 VAL H 4.060 . 4.060 3.244 2.446 3.689 . 0 0 "[ . 1 . 2]" 2
774 1 40 VAL MG1 1 52 ALA H 4.980 . 4.980 4.908 4.467 5.111 0.131 3 0 "[ . 1 . 2]" 2
775 1 40 VAL MG1 1 52 ALA MB 4.840 . 4.840 4.676 4.062 4.954 0.114 15 0 "[ . 1 . 2]" 2
776 1 40 VAL MG1 1 54 PRO HA 4.830 . 4.830 4.316 3.643 4.918 0.088 7 0 "[ . 1 . 2]" 2
777 1 40 VAL MG1 1 54 PRO QB 4.440 . 4.440 3.363 2.244 4.483 0.043 20 0 "[ . 1 . 2]" 2
778 1 40 VAL MG1 1 63 ILE MD 3.940 . 3.940 2.067 1.875 2.501 . 0 0 "[ . 1 . 2]" 2
779 1 40 VAL MG2 1 41 VAL H 4.060 . 4.060 3.784 3.353 4.078 0.018 20 0 "[ . 1 . 2]" 2
780 1 40 VAL MG2 1 52 ALA H 4.980 . 4.980 3.600 2.907 4.830 . 0 0 "[ . 1 . 2]" 2
781 1 40 VAL MG2 1 52 ALA MB 4.840 . 4.840 3.244 2.483 4.462 . 0 0 "[ . 1 . 2]" 2
782 1 40 VAL MG2 1 54 PRO HA 4.830 . 4.830 3.253 2.773 3.696 . 0 0 "[ . 1 . 2]" 2
783 1 40 VAL MG2 1 54 PRO QB 4.440 . 4.440 2.989 2.008 3.874 . 0 0 "[ . 1 . 2]" 2
784 1 40 VAL MG2 1 63 ILE MD 3.940 . 3.940 2.096 1.859 2.403 . 0 0 "[ . 1 . 2]" 2
785 1 40 VAL QG 1 41 VAL H 3.370 . 3.370 2.984 2.426 3.327 . 0 0 "[ . 1 . 2]" 2
786 1 40 VAL QG 1 41 VAL HA 4.390 . 4.390 3.866 3.624 4.034 . 0 0 "[ . 1 . 2]" 2
787 1 40 VAL QG 1 42 PHE H 4.640 . 4.640 4.171 3.887 4.470 . 0 0 "[ . 1 . 2]" 2
788 1 40 VAL QG 1 42 PHE HA 5.070 . 5.070 4.499 3.782 4.964 . 0 0 "[ . 1 . 2]" 2
789 1 40 VAL QG 1 42 PHE HB2 5.440 . 5.440 4.946 4.773 5.159 . 0 0 "[ . 1 . 2]" 2
790 1 40 VAL QG 1 42 PHE QE 3.730 . 3.730 2.511 2.128 3.014 . 0 0 "[ . 1 . 2]" 2
791 1 40 VAL QG 1 52 ALA H 4.270 . 4.270 3.405 2.890 4.271 0.001 5 0 "[ . 1 . 2]" 2
792 1 40 VAL QG 1 52 ALA MB 3.920 . 3.920 3.067 2.475 3.965 0.045 6 0 "[ . 1 . 2]" 2
793 1 40 VAL QG 1 54 PRO HA 3.430 . 3.430 3.121 2.755 3.448 0.018 8 0 "[ . 1 . 2]" 2
794 1 40 VAL QG 1 54 PRO QB 3.050 . 3.050 2.499 2.004 3.037 . 0 0 "[ . 1 . 2]" 2
795 1 40 VAL QG 1 54 PRO QD 3.680 . 3.680 2.739 2.055 3.498 . 0 0 "[ . 1 . 2]" 2
796 1 40 VAL QG 1 54 PRO QG 3.930 . 3.930 3.356 2.799 3.898 . 0 0 "[ . 1 . 2]" 2
797 1 40 VAL QG 1 59 VAL QG 2.830 . 2.830 2.028 1.822 2.263 . 0 0 "[ . 1 . 2]" 2
798 1 40 VAL QG 1 60 GLN HE21 4.920 . 4.920 4.288 3.879 4.731 . 0 0 "[ . 1 . 2]" 2
799 1 40 VAL QG 1 60 GLN HE22 5.000 . 5.000 4.386 3.474 5.009 0.009 8 0 "[ . 1 . 2]" 2
800 1 40 VAL QG 1 63 ILE MD 3.410 . 3.410 1.813 1.731 1.947 . 0 0 "[ . 1 . 2]" 2
801 1 41 VAL H 1 41 VAL HB 3.280 . 3.280 2.616 2.555 2.770 . 0 0 "[ . 1 . 2]" 2
802 1 41 VAL H 1 41 VAL QG 3.090 . 3.090 2.505 2.359 2.687 . 0 0 "[ . 1 . 2]" 2
803 1 41 VAL H 1 42 PHE H 5.010 . 5.010 4.247 4.137 4.327 . 0 0 "[ . 1 . 2]" 2
804 1 41 VAL H 1 42 PHE QE 5.500 . 5.500 5.623 5.572 5.686 0.186 2 0 "[ . 1 . 2]" 2
805 1 41 VAL HA 1 41 VAL QG 3.330 . 3.330 2.137 2.125 2.146 . 0 0 "[ . 1 . 2]" 2
806 1 41 VAL HA 1 42 PHE H 3.030 . 3.030 2.125 2.115 2.147 . 0 0 "[ . 1 . 2]" 2
807 1 41 VAL HA 1 50 VAL H 4.330 . 4.330 3.844 3.646 4.120 . 0 0 "[ . 1 . 2]" 2
808 1 41 VAL HA 1 50 VAL QG 4.250 . 4.250 3.812 3.667 3.935 . 0 0 "[ . 1 . 2]" 2
809 1 41 VAL HA 1 51 CYS HA 4.120 . 4.120 2.318 2.151 2.605 . 0 0 "[ . 1 . 2]" 2
810 1 41 VAL HA 1 52 ALA H 4.060 . 4.060 3.662 3.384 3.993 . 0 0 "[ . 1 . 2]" 2
811 1 41 VAL HA 1 52 ALA MB 5.500 . 5.500 4.898 4.457 5.274 . 0 0 "[ . 1 . 2]" 2
812 1 41 VAL HB 1 42 PHE H 4.460 . 4.460 4.221 4.149 4.321 . 0 0 "[ . 1 . 2]" 2
813 1 41 VAL HB 1 49 GLN HE22 5.500 . 5.500 4.739 3.859 5.200 . 0 0 "[ . 1 . 2]" 2
814 1 41 VAL QG 2 7 ASP QB 5.180 . 5.180 3.965 3.193 4.587 . 0 0 "[ . 1 . 2]" 2
815 1 41 VAL QG 2 8 THR H 5.500 . 5.500 3.552 3.175 5.174 . 0 0 "[ . 1 . 2]" 2
816 1 41 VAL QG 2 8 THR HA 4.910 . 4.910 3.658 3.325 3.927 . 0 0 "[ . 1 . 2]" 2
817 1 41 VAL QG 2 8 THR HB 5.500 . 5.500 4.232 3.821 4.957 . 0 0 "[ . 1 . 2]" 2
818 1 41 VAL QG 2 8 THR MG 3.370 . 3.370 2.073 1.825 2.594 . 0 0 "[ . 1 . 2]" 2
819 1 41 VAL QG 1 42 PHE H 3.150 . 3.150 2.827 2.731 2.973 . 0 0 "[ . 1 . 2]" 2
820 1 41 VAL QG 1 42 PHE HA 4.300 . 4.300 3.869 3.729 3.973 . 0 0 "[ . 1 . 2]" 2
821 1 41 VAL QG 1 42 PHE HB2 5.330 . 5.330 4.487 4.390 4.581 . 0 0 "[ . 1 . 2]" 2
822 1 41 VAL QG 1 43 VAL H 4.440 . 4.440 4.252 4.032 4.449 0.009 11 0 "[ . 1 . 2]" 2
823 1 41 VAL QG 1 43 VAL HA 4.800 . 4.800 3.998 3.848 4.063 . 0 0 "[ . 1 . 2]" 2
824 1 41 VAL QG 1 43 VAL MG1 4.760 . 4.760 4.652 4.528 4.815 0.055 11 0 "[ . 1 . 2]" 2
825 1 41 VAL QG 1 43 VAL MG2 3.300 . 3.300 2.907 2.570 3.288 . 0 0 "[ . 1 . 2]" 2
826 1 41 VAL QG 1 44 THR H 5.500 . 5.500 5.537 5.358 5.624 0.124 8 0 "[ . 1 . 2]" 2
827 1 41 VAL QG 1 49 GLN HA 3.690 . 3.690 3.354 3.086 3.559 . 0 0 "[ . 1 . 2]" 2
828 1 41 VAL QG 1 49 GLN HB2 3.900 . 3.900 2.883 1.957 3.386 . 0 0 "[ . 1 . 2]" 2
829 1 41 VAL QG 1 49 GLN HB3 3.900 . 3.900 2.171 1.783 3.102 . 0 0 "[ . 1 . 2]" 2
830 1 41 VAL QG 1 49 GLN HE21 4.160 . 4.160 1.868 1.583 2.466 . 0 0 "[ . 1 . 2]" 2
831 1 41 VAL QG 1 49 GLN HE22 4.080 . 4.080 2.656 2.508 2.832 . 0 0 "[ . 1 . 2]" 2
832 1 41 VAL QG 1 49 GLN QG 3.980 . 3.980 3.162 2.742 3.487 . 0 0 "[ . 1 . 2]" 2
833 1 41 VAL QG 1 50 VAL H 3.380 . 3.380 2.612 2.470 2.880 . 0 0 "[ . 1 . 2]" 2
834 1 41 VAL QG 1 50 VAL HB 5.290 . 5.290 5.064 4.805 5.225 . 0 0 "[ . 1 . 2]" 2
835 1 41 VAL QG 1 51 CYS H 4.660 . 4.660 4.078 3.476 4.441 . 0 0 "[ . 1 . 2]" 2
836 1 41 VAL QG 1 51 CYS HA 4.220 . 4.220 2.895 2.475 3.248 . 0 0 "[ . 1 . 2]" 2
837 1 41 VAL QG 1 52 ALA H 4.660 . 4.660 4.081 3.711 4.400 . 0 0 "[ . 1 . 2]" 2
838 1 42 PHE H 1 42 PHE HB2 3.610 . 3.610 2.403 2.365 2.442 . 0 0 "[ . 1 . 2]" 2
839 1 42 PHE H 1 42 PHE HB3 3.780 . 3.780 3.628 3.604 3.656 . 0 0 "[ . 1 . 2]" 2
840 1 42 PHE H 1 42 PHE QD 4.010 . 4.010 2.700 2.496 2.948 . 0 0 "[ . 1 . 2]" 2
841 1 42 PHE H 1 43 VAL H 4.590 . 4.590 4.420 4.366 4.485 . 0 0 "[ . 1 . 2]" 2
842 1 42 PHE H 1 49 GLN HA 4.790 . 4.790 4.580 4.406 4.717 . 0 0 "[ . 1 . 2]" 2
843 1 42 PHE H 1 50 VAL HB 4.830 . 4.830 4.875 4.819 4.935 0.105 19 0 "[ . 1 . 2]" 2
844 1 42 PHE H 1 50 VAL QG 3.660 . 3.660 2.498 2.364 2.634 . 0 0 "[ . 1 . 2]" 2
845 1 42 PHE H 1 51 CYS H 5.000 . 5.000 4.805 4.687 5.001 0.001 5 0 "[ . 1 . 2]" 2
846 1 42 PHE H 1 51 CYS HA 4.280 . 4.280 3.427 3.163 3.818 . 0 0 "[ . 1 . 2]" 2
847 1 42 PHE H 1 52 ALA H 5.150 . 5.150 4.633 4.334 4.892 . 0 0 "[ . 1 . 2]" 2
848 1 42 PHE HA 1 42 PHE QD 3.720 . 3.720 2.790 2.630 2.895 . 0 0 "[ . 1 . 2]" 2
849 1 42 PHE HA 1 42 PHE QE 4.820 . 4.820 4.523 4.447 4.567 . 0 0 "[ . 1 . 2]" 2
850 1 42 PHE HA 1 43 VAL H 3.080 . 3.080 2.102 2.073 2.129 . 0 0 "[ . 1 . 2]" 2
851 1 42 PHE HA 1 43 VAL HB 4.830 . 4.830 4.576 4.481 4.665 . 0 0 "[ . 1 . 2]" 2
852 1 42 PHE HA 1 43 VAL MG2 4.400 . 4.400 3.530 3.408 3.757 . 0 0 "[ . 1 . 2]" 2
853 1 42 PHE HB2 1 43 VAL H 4.410 . 4.410 4.219 4.129 4.281 . 0 0 "[ . 1 . 2]" 2
854 1 42 PHE HB2 1 50 VAL H 4.770 . 4.770 3.625 3.444 3.779 . 0 0 "[ . 1 . 2]" 2
855 1 42 PHE HB2 1 50 VAL HB 4.270 . 4.270 4.323 4.287 4.359 0.089 4 0 "[ . 1 . 2]" 2
856 1 42 PHE HB2 1 50 VAL QG 3.550 . 3.550 1.812 1.784 1.854 . 0 0 "[ . 1 . 2]" 2
857 1 42 PHE HB3 1 43 VAL H 3.870 . 3.870 3.248 3.094 3.365 . 0 0 "[ . 1 . 2]" 2
858 1 42 PHE HB3 1 50 VAL H 5.500 . 5.500 4.722 4.499 4.880 . 0 0 "[ . 1 . 2]" 2
859 1 42 PHE HB3 1 50 VAL HB 5.500 . 5.500 5.569 5.520 5.623 0.123 19 0 "[ . 1 . 2]" 2
860 1 42 PHE HB3 1 50 VAL QG 3.690 . 3.690 2.967 2.932 3.008 . 0 0 "[ . 1 . 2]" 2
861 1 42 PHE QD 1 43 VAL H 4.040 . 4.040 3.876 3.671 4.031 . 0 0 "[ . 1 . 2]" 2
862 1 42 PHE QD 1 50 VAL HB 5.400 . 5.400 5.453 5.337 5.527 0.127 13 0 "[ . 1 . 2]" 2
863 1 42 PHE QD 1 50 VAL MG1 5.190 . 5.190 2.499 2.384 2.588 . 0 0 "[ . 1 . 2]" 2
864 1 42 PHE QD 1 50 VAL MG2 5.190 . 5.190 4.142 3.974 4.383 . 0 0 "[ . 1 . 2]" 2
865 1 42 PHE QD 1 50 VAL QG 3.790 . 3.790 2.479 2.366 2.570 . 0 0 "[ . 1 . 2]" 2
866 1 42 PHE QD 1 52 ALA MB 3.590 . 3.590 2.981 2.715 3.260 . 0 0 "[ . 1 . 2]" 2
867 1 42 PHE QE 1 52 ALA H 4.990 . 4.990 4.290 3.971 4.546 . 0 0 "[ . 1 . 2]" 2
868 1 42 PHE QE 1 52 ALA MB 3.130 . 3.130 2.184 1.925 2.495 . 0 0 "[ . 1 . 2]" 2
869 1 42 PHE QE 1 59 VAL HA 4.060 . 4.060 3.489 3.068 3.935 . 0 0 "[ . 1 . 2]" 2
870 1 42 PHE QE 1 59 VAL MG1 3.700 . 3.700 2.247 2.033 2.548 . 0 0 "[ . 1 . 2]" 2
871 1 42 PHE QE 1 59 VAL MG2 3.700 . 3.700 2.631 2.167 3.151 . 0 0 "[ . 1 . 2]" 2
872 1 42 PHE QE 1 63 ILE H 4.850 . 4.850 3.841 3.476 4.060 . 0 0 "[ . 1 . 2]" 2
873 1 43 VAL H 1 43 VAL HB 3.440 . 3.440 2.541 2.446 2.604 . 0 0 "[ . 1 . 2]" 2
874 1 43 VAL H 1 43 VAL MG1 3.870 . 3.870 3.796 3.757 3.823 . 0 0 "[ . 1 . 2]" 2
875 1 43 VAL H 1 43 VAL MG2 3.110 . 3.110 2.442 2.322 2.669 . 0 0 "[ . 1 . 2]" 2
876 1 43 VAL H 1 44 THR H 4.770 . 4.770 4.311 4.257 4.395 . 0 0 "[ . 1 . 2]" 2
877 1 43 VAL H 1 49 GLN HA 5.500 . 5.500 4.662 4.469 4.780 . 0 0 "[ . 1 . 2]" 2
878 1 43 VAL HA 1 43 VAL MG1 3.240 . 3.240 2.396 2.340 2.489 . 0 0 "[ . 1 . 2]" 2
879 1 43 VAL HA 1 43 VAL MG2 3.210 . 3.210 2.422 2.324 2.479 . 0 0 "[ . 1 . 2]" 2
880 1 43 VAL HA 1 44 THR H 3.020 . 3.020 2.132 2.106 2.159 . 0 0 "[ . 1 . 2]" 2
881 1 43 VAL HA 1 44 THR MG 4.300 . 4.300 3.682 3.504 3.795 . 0 0 "[ . 1 . 2]" 2
882 1 43 VAL HA 1 49 GLN H 4.880 . 4.880 4.635 4.358 4.798 . 0 0 "[ . 1 . 2]" 2
883 1 43 VAL HA 1 49 GLN HA 4.120 . 4.120 2.343 2.115 2.475 . 0 0 "[ . 1 . 2]" 2
884 1 43 VAL HA 1 50 VAL H 4.350 . 4.350 3.888 3.669 4.067 . 0 0 "[ . 1 . 2]" 2
885 1 43 VAL HB 1 44 THR H 4.450 . 4.450 4.255 4.181 4.344 . 0 0 "[ . 1 . 2]" 2
886 1 43 VAL MG1 1 44 THR H 3.210 . 3.210 2.914 2.737 3.026 . 0 0 "[ . 1 . 2]" 2
887 1 43 VAL MG1 1 45 ARG H 5.200 . 5.200 5.125 5.003 5.219 0.019 14 0 "[ . 1 . 2]" 2
888 1 43 VAL MG1 1 46 ARG H 5.170 . 5.170 4.953 4.632 5.171 0.001 12 0 "[ . 1 . 2]" 2
889 1 43 VAL MG1 1 47 ASN H 3.910 . 3.910 3.509 3.256 3.796 . 0 0 "[ . 1 . 2]" 2
890 1 43 VAL MG1 1 47 ASN HA 3.160 . 3.160 2.378 1.943 2.981 . 0 0 "[ . 1 . 2]" 2
891 1 43 VAL MG1 1 47 ASN HB2 5.410 . 5.410 4.776 4.241 5.429 0.019 6 0 "[ . 1 . 2]" 2
892 1 43 VAL MG1 1 47 ASN HB3 4.870 . 4.870 3.943 3.281 4.720 . 0 0 "[ . 1 . 2]" 2
893 1 43 VAL MG1 1 47 ASN QD 5.340 . 5.340 4.735 4.342 5.394 0.054 11 0 "[ . 1 . 2]" 2
894 1 43 VAL MG1 1 48 ARG H 3.940 . 3.940 3.878 3.512 4.070 0.130 16 0 "[ . 1 . 2]" 2
895 1 43 VAL MG1 1 49 GLN HA 4.420 . 4.420 3.824 3.629 3.980 . 0 0 "[ . 1 . 2]" 2
896 1 43 VAL MG1 1 49 GLN QB 4.360 . 4.360 4.251 3.302 4.517 0.157 18 0 "[ . 1 . 2]" 2
897 1 43 VAL MG1 1 49 GLN QG 5.500 . 5.500 3.160 2.541 4.821 . 0 0 "[ . 1 . 2]" 2
898 1 43 VAL MG2 1 44 THR H 4.160 . 4.160 4.128 3.953 4.213 0.053 4 0 "[ . 1 . 2]" 2
899 1 43 VAL MG2 1 49 GLN HA 3.600 . 3.600 3.426 2.941 3.619 0.019 19 0 "[ . 1 . 2]" 2
900 1 43 VAL MG2 1 49 GLN QG 3.850 . 3.850 2.510 1.891 3.988 0.138 13 0 "[ . 1 . 2]" 2
901 1 44 THR H 1 44 THR MG 3.080 . 3.080 2.246 2.106 2.310 . 0 0 "[ . 1 . 2]" 2
902 1 44 THR H 1 45 ARG H 4.790 . 4.790 4.562 4.524 4.600 . 0 0 "[ . 1 . 2]" 2
903 1 44 THR H 1 46 ARG H 4.980 . 4.980 4.485 4.210 4.706 . 0 0 "[ . 1 . 2]" 2
904 1 44 THR H 1 47 ASN H 4.650 . 4.650 4.144 3.917 4.328 . 0 0 "[ . 1 . 2]" 2
905 1 44 THR H 1 47 ASN HA 4.540 . 4.540 4.100 3.760 4.555 0.015 6 0 "[ . 1 . 2]" 2
906 1 44 THR H 1 48 ARG H 3.520 . 3.520 3.241 3.018 3.378 . 0 0 "[ . 1 . 2]" 2
907 1 44 THR H 1 49 GLN HA 4.140 . 4.140 3.209 3.020 3.562 . 0 0 "[ . 1 . 2]" 2
908 1 44 THR HA 1 44 THR MG 3.340 . 3.340 2.354 2.333 2.411 . 0 0 "[ . 1 . 2]" 2
909 1 44 THR HA 1 45 ARG H 3.320 . 3.320 2.504 2.416 2.578 . 0 0 "[ . 1 . 2]" 2
910 1 44 THR HA 1 45 ARG HA 4.640 . 4.640 4.326 4.290 4.364 . 0 0 "[ . 1 . 2]" 2
911 1 44 THR HA 1 45 ARG QB 4.810 . 4.810 4.761 4.652 4.899 0.089 14 0 "[ . 1 . 2]" 2
912 1 44 THR HA 1 45 ARG QG 4.860 . 4.860 3.833 3.543 4.047 . 0 0 "[ . 1 . 2]" 2
913 1 44 THR HA 1 46 ARG H 4.290 . 4.290 4.021 3.847 4.269 . 0 0 "[ . 1 . 2]" 2
914 1 44 THR HB 1 45 ARG H 3.220 . 3.220 2.154 2.032 2.329 . 0 0 "[ . 1 . 2]" 2
915 1 44 THR HB 1 45 ARG QG 4.630 . 4.630 4.061 3.617 4.297 . 0 0 "[ . 1 . 2]" 2
916 1 44 THR HB 1 46 ARG H 3.760 . 3.760 2.585 2.407 2.886 . 0 0 "[ . 1 . 2]" 2
917 1 44 THR HB 1 46 ARG QB 4.930 . 4.930 3.578 3.189 3.905 . 0 0 "[ . 1 . 2]" 2
918 1 44 THR HB 1 46 ARG QD 5.500 . 5.500 3.907 2.627 5.327 . 0 0 "[ . 1 . 2]" 2
919 1 44 THR HB 1 47 ASN H 5.210 . 5.210 4.304 4.129 4.508 . 0 0 "[ . 1 . 2]" 2
920 1 44 THR HB 1 48 ARG H 4.380 . 4.380 4.041 3.931 4.165 . 0 0 "[ . 1 . 2]" 2
921 1 44 THR HB 1 48 ARG QD 5.500 . 5.500 5.247 4.592 5.709 0.209 4 0 "[ . 1 . 2]" 2
922 1 44 THR MG 1 45 ARG H 3.890 . 3.890 3.588 3.522 3.652 . 0 0 "[ . 1 . 2]" 2
923 1 44 THR MG 1 46 ARG H 4.310 . 4.310 4.016 3.868 4.151 . 0 0 "[ . 1 . 2]" 2
924 1 44 THR MG 1 46 ARG QD 5.470 . 5.470 4.502 3.553 5.207 . 0 0 "[ . 1 . 2]" 2
925 1 44 THR MG 1 47 ASN H 5.170 . 5.170 4.886 4.760 5.044 . 0 0 "[ . 1 . 2]" 2
926 1 44 THR MG 1 48 ARG H 3.730 . 3.730 3.819 3.649 3.866 0.136 7 0 "[ . 1 . 2]" 2
927 1 44 THR MG 1 50 VAL H 4.610 . 4.610 4.480 4.066 4.667 0.057 8 0 "[ . 1 . 2]" 2
928 1 44 THR MG 1 50 VAL HB 4.750 . 4.750 3.854 3.579 4.285 . 0 0 "[ . 1 . 2]" 2
929 1 45 ARG H 1 45 ARG QB 3.140 . 3.140 2.491 2.406 2.612 . 0 0 "[ . 1 . 2]" 2
930 1 45 ARG H 1 45 ARG QD 3.920 . 3.920 3.447 2.879 4.019 0.099 17 0 "[ . 1 . 2]" 2
931 1 45 ARG H 1 45 ARG QG 3.120 . 3.120 2.182 2.032 2.312 . 0 0 "[ . 1 . 2]" 2
932 1 45 ARG H 1 46 ARG H 3.460 . 3.460 2.530 2.475 2.609 . 0 0 "[ . 1 . 2]" 2
933 1 45 ARG H 1 46 ARG HA 5.500 . 5.500 5.154 5.017 5.253 . 0 0 "[ . 1 . 2]" 2
934 1 45 ARG H 1 47 ASN H 4.440 . 4.440 4.075 3.891 4.262 . 0 0 "[ . 1 . 2]" 2
935 1 45 ARG H 1 48 ARG H 5.230 . 5.230 5.040 4.875 5.150 . 0 0 "[ . 1 . 2]" 2
936 1 45 ARG HA 1 45 ARG QD 3.530 . 3.530 2.224 2.020 3.697 0.167 17 0 "[ . 1 . 2]" 2
937 1 45 ARG HA 1 45 ARG QG 3.540 . 3.540 2.946 2.418 3.153 . 0 0 "[ . 1 . 2]" 2
938 1 45 ARG HA 1 47 ASN H 3.880 . 3.880 3.402 3.255 3.551 . 0 0 "[ . 1 . 2]" 2
939 1 45 ARG HA 1 48 ARG H 5.490 . 5.490 5.599 5.459 5.683 0.193 15 0 "[ . 1 . 2]" 2
940 1 45 ARG QB 1 45 ARG HE 4.330 . 4.330 3.290 1.909 4.337 0.007 12 0 "[ . 1 . 2]" 2
941 1 45 ARG QB 1 45 ARG QD 2.860 . 2.860 2.505 2.126 2.901 0.041 5 0 "[ . 1 . 2]" 2
942 1 45 ARG QB 1 46 ARG H 3.550 . 3.550 3.096 2.847 3.411 . 0 0 "[ . 1 . 2]" 2
943 1 45 ARG QB 1 47 ASN H 4.540 . 4.540 4.442 4.301 4.597 0.057 1 0 "[ . 1 . 2]" 2
944 1 45 ARG HE 1 45 ARG QG 3.890 . 3.890 2.536 2.208 2.943 . 0 0 "[ . 1 . 2]" 2
945 1 46 ARG H 1 46 ARG HB2 3.700 . 3.700 2.450 2.230 2.864 . 0 0 "[ . 1 . 2]" 2
946 1 46 ARG H 1 46 ARG HB3 3.700 . 3.700 3.382 2.412 3.684 . 0 0 "[ . 1 . 2]" 2
947 1 46 ARG H 1 46 ARG QB 2.860 . 2.860 2.343 2.207 2.492 . 0 0 "[ . 1 . 2]" 2
948 1 46 ARG H 1 46 ARG QD 4.570 . 4.570 3.134 2.144 4.578 0.008 1 0 "[ . 1 . 2]" 2
949 1 46 ARG H 1 47 ASN H 3.170 . 3.170 2.405 2.279 2.506 . 0 0 "[ . 1 . 2]" 2
950 1 46 ARG H 1 47 ASN HA 4.880 . 4.880 4.531 4.363 4.646 . 0 0 "[ . 1 . 2]" 2
951 1 46 ARG H 1 47 ASN HB2 5.500 . 5.500 5.419 5.299 5.522 0.022 14 0 "[ . 1 . 2]" 2
952 1 46 ARG H 1 48 ARG H 3.710 . 3.710 3.236 3.004 3.468 . 0 0 "[ . 1 . 2]" 2
953 1 46 ARG HA 1 46 ARG QD 4.130 . 4.130 3.310 2.503 4.224 0.094 6 0 "[ . 1 . 2]" 2
954 1 46 ARG HA 1 47 ASN H 3.460 . 3.460 3.156 3.054 3.260 . 0 0 "[ . 1 . 2]" 2
955 1 46 ARG HA 1 47 ASN HB2 4.650 . 4.650 4.236 4.032 4.330 . 0 0 "[ . 1 . 2]" 2
956 1 46 ARG HA 1 47 ASN QD 3.780 . 3.780 3.406 3.134 4.025 0.245 5 0 "[ . 1 . 2]" 2
957 1 46 ARG HB2 1 46 ARG HE 4.710 . 4.710 4.335 3.744 4.553 . 0 0 "[ . 1 . 2]" 2
958 1 46 ARG HB2 1 46 ARG QD 3.300 . 3.300 2.343 2.210 2.471 . 0 0 "[ . 1 . 2]" 2
959 1 46 ARG HB2 1 47 ASN H 4.510 . 4.510 3.865 3.593 4.417 . 0 0 "[ . 1 . 2]" 2
960 1 46 ARG HB3 1 46 ARG HE 4.710 . 4.710 4.426 2.599 4.743 0.033 13 0 "[ . 1 . 2]" 2
961 1 46 ARG HB3 1 46 ARG QD 3.300 . 3.300 2.955 2.270 3.315 0.015 10 0 "[ . 1 . 2]" 2
962 1 46 ARG HB3 1 47 ASN H 4.510 . 4.510 4.134 3.520 4.377 . 0 0 "[ . 1 . 2]" 2
963 1 46 ARG QB 1 46 ARG HE 3.980 . 3.980 3.875 2.554 4.056 0.076 20 0 "[ . 1 . 2]" 2
964 1 46 ARG QB 1 46 ARG QD 2.520 . 2.520 2.220 2.093 2.350 . 0 0 "[ . 1 . 2]" 2
965 1 46 ARG QB 1 47 ASN H 3.760 . 3.760 3.503 3.366 3.643 . 0 0 "[ . 1 . 2]" 2
966 1 46 ARG QB 1 48 ARG H 3.460 . 3.460 2.960 2.684 3.129 . 0 0 "[ . 1 . 2]" 2
967 1 46 ARG QD 1 48 ARG H 4.870 . 4.870 4.744 4.237 5.034 0.164 8 0 "[ . 1 . 2]" 2
968 1 47 ASN H 1 47 ASN HA 2.750 . 2.750 2.250 2.238 2.269 . 0 0 "[ . 1 . 2]" 2
969 1 47 ASN H 1 47 ASN HB2 3.510 . 3.510 3.514 3.386 3.566 0.056 1 0 "[ . 1 . 2]" 2
970 1 47 ASN H 1 47 ASN HB3 4.110 . 4.110 4.118 4.069 4.156 0.046 16 0 "[ . 1 . 2]" 2
971 1 47 ASN H 1 47 ASN HD21 4.720 . 4.720 3.546 3.327 4.625 . 0 0 "[ . 1 . 2]" 2
972 1 47 ASN H 1 47 ASN HD22 4.720 . 4.720 4.307 4.161 4.765 0.045 5 0 "[ . 1 . 2]" 2
973 1 47 ASN H 1 48 ARG H 3.230 . 3.230 2.579 2.454 2.677 . 0 0 "[ . 1 . 2]" 2
974 1 47 ASN HA 1 47 ASN HD21 4.610 . 4.610 3.830 3.542 4.381 . 0 0 "[ . 1 . 2]" 2
975 1 47 ASN HA 1 47 ASN HD22 4.610 . 4.610 4.257 4.024 4.617 0.007 5 0 "[ . 1 . 2]" 2
976 1 47 ASN HA 1 47 ASN QD 4.060 . 4.060 3.567 3.323 3.998 . 0 0 "[ . 1 . 2]" 2
977 1 47 ASN HA 1 48 ARG H 3.320 . 3.320 3.033 2.933 3.139 . 0 0 "[ . 1 . 2]" 2
978 1 47 ASN HB2 1 47 ASN HD22 3.760 . 3.760 3.471 3.425 3.494 . 0 0 "[ . 1 . 2]" 2
979 1 47 ASN HB2 1 47 ASN QD 3.010 . 3.010 2.190 2.088 2.235 . 0 0 "[ . 1 . 2]" 2
980 1 47 ASN HB2 1 48 ARG H 4.340 . 4.340 3.969 3.865 4.061 . 0 0 "[ . 1 . 2]" 2
981 1 47 ASN HB2 1 48 ARG HA 5.500 . 5.500 4.859 4.678 4.998 . 0 0 "[ . 1 . 2]" 2
982 1 47 ASN HB3 1 47 ASN QD 3.460 . 3.460 3.240 2.921 3.290 . 0 0 "[ . 1 . 2]" 2
983 1 47 ASN HB3 1 48 ARG H 4.440 . 4.440 4.356 4.234 4.419 . 0 0 "[ . 1 . 2]" 2
984 1 47 ASN HB3 1 48 ARG HA 4.770 . 4.770 4.673 4.415 4.798 0.028 19 0 "[ . 1 . 2]" 2
985 1 48 ARG H 1 48 ARG QB 3.760 . 3.760 2.334 2.234 2.422 . 0 0 "[ . 1 . 2]" 2
986 1 48 ARG H 1 48 ARG QD 5.240 . 5.240 4.519 4.056 4.727 . 0 0 "[ . 1 . 2]" 2
987 1 48 ARG H 1 48 ARG QG 4.170 . 4.170 4.014 3.948 4.157 . 0 0 "[ . 1 . 2]" 2
988 1 48 ARG H 1 49 GLN H 4.530 . 4.530 4.468 4.270 4.539 0.009 5 0 "[ . 1 . 2]" 2
989 1 48 ARG HA 1 48 ARG QG 4.000 . 4.000 2.481 2.360 2.554 . 0 0 "[ . 1 . 2]" 2
990 1 48 ARG HA 1 49 GLN H 2.920 . 2.920 2.183 2.132 2.273 . 0 0 "[ . 1 . 2]" 2
991 1 48 ARG QB 1 49 GLN H 4.480 . 4.480 3.701 3.504 3.838 . 0 0 "[ . 1 . 2]" 2
992 1 48 ARG QG 1 49 GLN H 3.780 . 3.780 2.698 2.121 3.735 . 0 0 "[ . 1 . 2]" 2
993 1 49 GLN H 1 49 GLN HB2 3.790 . 3.790 2.824 2.451 3.733 . 0 0 "[ . 1 . 2]" 2
994 1 49 GLN H 1 49 GLN HB3 3.790 . 3.790 3.539 2.904 3.707 . 0 0 "[ . 1 . 2]" 2
995 1 49 GLN H 1 49 GLN HE21 5.500 . 5.500 4.681 4.123 4.947 . 0 0 "[ . 1 . 2]" 2
996 1 49 GLN H 1 49 GLN QB 3.260 . 3.260 2.629 2.415 2.986 . 0 0 "[ . 1 . 2]" 2
997 1 49 GLN H 1 49 GLN QG 4.120 . 4.120 2.276 1.829 2.651 . 0 0 "[ . 1 . 2]" 2
998 1 49 GLN H 1 50 VAL H 4.810 . 4.810 4.519 4.458 4.563 . 0 0 "[ . 1 . 2]" 2
999 1 49 GLN HA 1 49 GLN HE21 4.600 . 4.600 4.147 3.898 4.388 . 0 0 "[ . 1 . 2]" 2
1000 1 49 GLN HA 1 50 VAL H 3.100 . 3.100 2.271 2.135 2.361 . 0 0 "[ . 1 . 2]" 2
1001 1 49 GLN HA 1 50 VAL HB 4.400 . 4.400 4.292 4.204 4.428 0.028 14 0 "[ . 1 . 2]" 2
1002 1 49 GLN HB2 1 49 GLN HE21 4.410 . 4.410 2.213 1.737 2.810 . 0 0 "[ . 1 . 2]" 2
1003 1 49 GLN HB3 1 49 GLN HE21 4.410 . 4.410 2.058 1.677 2.550 . 0 0 "[ . 1 . 2]" 2
1004 1 49 GLN HE21 2 8 THR MG 3.820 . 3.820 2.530 2.046 3.174 . 0 0 "[ . 1 . 2]" 2
1005 1 49 GLN HE21 1 50 VAL QG 5.380 . 5.380 5.667 5.586 5.832 0.452 1 0 "[ . 1 . 2]" 2
1006 1 49 GLN HE22 2 8 THR MG 4.030 . 4.030 2.329 2.026 3.082 . 0 0 "[ . 1 . 2]" 2
1007 1 49 GLN QB 2 8 THR MG 5.340 . 5.340 3.245 2.801 3.773 . 0 0 "[ . 1 . 2]" 2
1008 1 49 GLN QB 1 49 GLN HE21 3.800 . 3.800 1.734 1.659 1.821 . 0 0 "[ . 1 . 2]" 2
1009 1 49 GLN QB 1 49 GLN HE22 4.210 . 4.210 3.151 3.102 3.179 . 0 0 "[ . 1 . 2]" 2
1010 1 49 GLN QB 1 50 VAL H 4.200 . 4.200 2.563 2.332 2.935 . 0 0 "[ . 1 . 2]" 2
1011 1 49 GLN QG 2 8 THR MG 5.500 . 5.500 4.233 2.652 4.869 . 0 0 "[ . 1 . 2]" 2
1012 1 49 GLN QG 1 50 VAL H 4.360 . 4.360 4.003 3.745 4.322 . 0 0 "[ . 1 . 2]" 2
1013 1 49 GLN QG 1 50 VAL QG 5.440 . 5.440 5.027 4.837 5.317 . 0 0 "[ . 1 . 2]" 2
1014 1 50 VAL H 2 7 ASP QB 4.860 . 4.860 4.136 3.577 4.944 0.084 3 0 "[ . 1 . 2]" 2
1015 1 50 VAL H 1 50 VAL HB 3.290 . 3.290 3.231 3.064 3.306 0.016 7 0 "[ . 1 . 2]" 2
1016 1 50 VAL H 1 50 VAL MG1 3.960 . 3.960 2.320 2.114 2.473 . 0 0 "[ . 1 . 2]" 2
1017 1 50 VAL H 1 50 VAL MG2 3.960 . 3.960 3.958 3.905 3.997 0.037 17 0 "[ . 1 . 2]" 2
1018 1 50 VAL H 1 50 VAL QG 3.040 . 3.040 2.304 2.105 2.450 . 0 0 "[ . 1 . 2]" 2
1019 1 50 VAL H 1 51 CYS H 4.630 . 4.630 4.308 4.197 4.455 . 0 0 "[ . 1 . 2]" 2
1020 1 50 VAL HA 2 7 ASP HA 3.960 . 3.960 2.478 1.746 2.891 . 0 0 "[ . 1 . 2]" 2
1021 1 50 VAL HA 1 50 VAL MG1 3.380 . 3.380 3.203 3.193 3.212 . 0 0 "[ . 1 . 2]" 2
1022 1 50 VAL HA 1 50 VAL MG2 3.380 . 3.380 2.341 2.294 2.368 . 0 0 "[ . 1 . 2]" 2
1023 1 50 VAL HA 1 50 VAL QG 2.950 . 2.950 2.286 2.245 2.309 . 0 0 "[ . 1 . 2]" 2
1024 1 50 VAL HA 1 51 CYS H 2.740 . 2.740 2.296 2.177 2.417 . 0 0 "[ . 1 . 2]" 2
1025 1 50 VAL HB 2 7 ASP QB 5.340 . 5.340 3.987 3.308 4.694 . 0 0 "[ . 1 . 2]" 2
1026 1 50 VAL HB 1 51 CYS H 4.320 . 4.320 4.111 4.019 4.231 . 0 0 "[ . 1 . 2]" 2
1027 1 50 VAL MG1 2 7 ASP HA 5.000 . 5.000 4.887 4.411 5.170 0.170 11 0 "[ . 1 . 2]" 2
1028 1 50 VAL MG1 1 51 CYS H 3.960 . 3.960 3.630 3.311 3.901 . 0 0 "[ . 1 . 2]" 2
1029 1 50 VAL MG2 2 7 ASP HA 4.770 . 4.770 3.505 2.699 4.033 . 0 0 "[ . 1 . 2]" 2
1030 1 50 VAL MG2 1 51 CYS H 3.960 . 3.960 2.277 1.962 2.647 . 0 0 "[ . 1 . 2]" 2
1031 1 50 VAL QG 2 6 SER HA 5.400 . 5.400 4.808 4.439 5.437 0.037 15 0 "[ . 1 . 2]" 2
1032 1 50 VAL QG 2 6 SER QB 3.800 . 3.800 3.184 2.358 3.988 0.188 7 0 "[ . 1 . 2]" 2
1033 1 50 VAL QG 2 7 ASP H 5.440 . 5.440 4.603 3.660 4.912 . 0 0 "[ . 1 . 2]" 2
1034 1 50 VAL QG 2 7 ASP HA 3.930 . 3.930 3.425 2.676 3.898 . 0 0 "[ . 1 . 2]" 2
1035 1 50 VAL QG 2 7 ASP QB 3.750 . 3.750 3.272 2.426 3.774 0.024 14 0 "[ . 1 . 2]" 2
1036 1 50 VAL QG 1 51 CYS H 3.100 . 3.100 2.254 1.948 2.606 . 0 0 "[ . 1 . 2]" 2
1037 1 51 CYS H 2 6 SER QB 4.800 . 4.800 3.734 3.067 4.782 . 0 0 "[ . 1 . 2]" 2
1038 1 51 CYS H 2 7 ASP H 4.950 . 4.950 4.304 3.860 4.958 0.008 17 0 "[ . 1 . 2]" 2
1039 1 51 CYS H 2 7 ASP HA 3.820 . 3.820 2.075 1.793 2.333 . 0 0 "[ . 1 . 2]" 2
1040 1 51 CYS H 2 7 ASP HB2 4.020 . 4.020 4.033 3.613 4.271 0.251 11 0 "[ . 1 . 2]" 2
1041 1 51 CYS H 2 7 ASP HB3 4.020 . 4.020 3.727 2.918 4.170 0.150 7 0 "[ . 1 . 2]" 2
1042 1 51 CYS H 2 8 THR H 6.000 . 6.000 4.418 3.851 4.738 . 0 0 "[ . 1 . 2]" 2
1043 1 51 CYS H 1 51 CYS HB2 3.880 . 3.880 2.538 2.369 3.028 . 0 0 "[ . 1 . 2]" 2
1044 1 51 CYS H 1 51 CYS HB3 3.880 . 3.880 3.618 2.392 3.761 . 0 0 "[ . 1 . 2]" 2
1045 1 51 CYS H 1 51 CYS QB 3.260 . 3.260 2.464 2.307 2.650 . 0 0 "[ . 1 . 2]" 2
1046 1 51 CYS H 1 52 ALA H 4.590 . 4.590 4.485 4.385 4.583 . 0 0 "[ . 1 . 2]" 2
1047 1 51 CYS HA 1 52 ALA H 2.990 . 2.990 2.202 2.118 2.315 . 0 0 "[ . 1 . 2]" 2
1048 1 51 CYS HB2 1 52 ALA H 4.450 . 4.450 3.956 3.568 4.241 . 0 0 "[ . 1 . 2]" 2
1049 1 51 CYS HB3 1 52 ALA H 4.450 . 4.450 2.932 2.526 4.177 . 0 0 "[ . 1 . 2]" 2
1050 1 52 ALA H 1 52 ALA MB 3.200 . 3.200 2.706 2.609 2.783 . 0 0 "[ . 1 . 2]" 2
1051 1 52 ALA H 1 53 ASN H 4.950 . 4.950 4.277 4.129 4.349 . 0 0 "[ . 1 . 2]" 2
1052 1 52 ALA H 1 53 ASN HA 5.500 . 5.500 4.662 4.501 4.783 . 0 0 "[ . 1 . 2]" 2
1053 1 52 ALA HA 1 53 ASN H 3.190 . 3.190 2.232 2.157 2.322 . 0 0 "[ . 1 . 2]" 2
1054 1 52 ALA MB 1 53 ASN H 3.260 . 3.260 2.722 2.482 2.975 . 0 0 "[ . 1 . 2]" 2
1055 1 52 ALA MB 1 53 ASN HA 4.650 . 4.650 4.318 4.261 4.415 . 0 0 "[ . 1 . 2]" 2
1056 1 52 ALA MB 1 56 LYS QB 4.220 . 4.220 3.963 3.467 4.309 0.089 3 0 "[ . 1 . 2]" 2
1057 1 52 ALA MB 1 59 VAL H 5.370 . 5.370 5.050 4.698 5.398 0.028 18 0 "[ . 1 . 2]" 2
1058 1 52 ALA MB 1 59 VAL HA 4.850 . 4.850 4.392 4.047 4.734 . 0 0 "[ . 1 . 2]" 2
1059 1 52 ALA MB 1 59 VAL MG1 3.460 . 3.460 2.997 2.630 3.280 . 0 0 "[ . 1 . 2]" 2
1060 1 52 ALA MB 1 59 VAL MG2 3.460 . 3.460 2.151 1.988 2.412 . 0 0 "[ . 1 . 2]" 2
1061 1 52 ALA MB 1 59 VAL QG 2.770 . 2.770 2.101 1.945 2.339 . 0 0 "[ . 1 . 2]" 2
1062 1 53 ASN H 1 53 ASN HB2 3.690 . 3.690 2.438 2.134 2.703 . 0 0 "[ . 1 . 2]" 2
1063 1 53 ASN H 1 53 ASN HB3 3.690 . 3.690 3.519 2.708 3.642 . 0 0 "[ . 1 . 2]" 2
1064 1 53 ASN H 1 53 ASN QB 3.190 . 3.190 2.392 2.113 2.633 . 0 0 "[ . 1 . 2]" 2
1065 1 53 ASN H 1 53 ASN QD 4.310 . 4.310 3.607 2.443 4.156 . 0 0 "[ . 1 . 2]" 2
1066 1 53 ASN H 1 56 LYS H 5.300 . 5.300 5.203 4.881 5.340 0.040 12 0 "[ . 1 . 2]" 2
1067 1 53 ASN H 1 59 VAL MG1 5.140 . 5.140 4.785 4.355 5.104 . 0 0 "[ . 1 . 2]" 2
1068 1 53 ASN H 1 59 VAL MG2 5.140 . 5.140 3.688 3.402 3.870 . 0 0 "[ . 1 . 2]" 2
1069 1 53 ASN H 1 59 VAL QG 3.630 . 3.630 3.571 3.300 3.759 0.129 20 0 "[ . 1 . 2]" 2
1070 1 53 ASN HB2 1 56 LYS QG 4.910 . 4.910 3.425 2.360 4.661 . 0 0 "[ . 1 . 2]" 2
1071 1 53 ASN HB3 1 56 LYS QG 4.910 . 4.910 4.300 3.208 4.984 0.074 10 0 "[ . 1 . 2]" 2
1072 1 53 ASN QB 1 54 PRO QD 5.340 . 5.340 2.631 2.251 3.332 . 0 0 "[ . 1 . 2]" 2
1073 1 53 ASN QB 1 56 LYS H 4.300 . 4.300 3.838 3.393 4.115 . 0 0 "[ . 1 . 2]" 2
1074 1 53 ASN QB 1 56 LYS QG 4.200 . 4.200 3.198 2.331 3.719 . 0 0 "[ . 1 . 2]" 2
1075 1 54 PRO HA 1 56 LYS H 4.080 . 4.080 3.464 3.330 3.619 . 0 0 "[ . 1 . 2]" 2
1076 1 54 PRO HA 1 59 VAL HB 3.620 . 3.620 2.853 2.439 3.244 . 0 0 "[ . 1 . 2]" 2
1077 1 54 PRO HA 1 59 VAL MG1 4.250 . 4.250 1.998 1.854 2.231 . 0 0 "[ . 1 . 2]" 2
1078 1 54 PRO HA 1 59 VAL MG2 4.250 . 4.250 3.377 3.053 3.802 . 0 0 "[ . 1 . 2]" 2
1079 1 54 PRO HA 1 59 VAL QG 3.190 . 3.190 1.984 1.846 2.216 . 0 0 "[ . 1 . 2]" 2
1080 1 54 PRO HA 1 60 GLN HE21 3.970 . 3.970 2.931 2.657 3.465 . 0 0 "[ . 1 . 2]" 2
1081 1 54 PRO HA 1 60 GLN HE22 4.510 . 4.510 3.620 2.919 4.536 0.026 16 0 "[ . 1 . 2]" 2
1082 1 54 PRO QB 1 55 GLU H 3.740 . 3.740 3.701 3.524 3.836 0.096 12 0 "[ . 1 . 2]" 2
1083 1 54 PRO QB 1 55 GLU HA 4.290 . 4.290 4.161 4.031 4.250 . 0 0 "[ . 1 . 2]" 2
1084 1 54 PRO QB 1 55 GLU QG 4.440 . 4.440 4.124 3.837 4.481 0.041 10 0 "[ . 1 . 2]" 2
1085 1 54 PRO QB 1 59 VAL QG 3.650 . 3.650 3.107 2.863 3.426 . 0 0 "[ . 1 . 2]" 2
1086 1 54 PRO QB 1 60 GLN HA 5.440 . 5.440 5.243 4.702 5.504 0.064 15 0 "[ . 1 . 2]" 2
1087 1 54 PRO QB 1 60 GLN HE21 3.530 . 3.530 3.284 2.687 3.547 0.017 9 0 "[ . 1 . 2]" 2
1088 1 54 PRO QB 1 60 GLN HE22 3.640 . 3.640 2.772 2.409 3.535 . 0 0 "[ . 1 . 2]" 2
1089 1 54 PRO QB 1 63 ILE MD 5.300 . 5.300 3.118 2.591 3.511 . 0 0 "[ . 1 . 2]" 2
1090 1 54 PRO QB 1 63 ILE MG 5.500 . 5.500 5.165 4.625 5.500 . 5 0 "[ . 1 . 2]" 2
1091 1 54 PRO QG 1 55 GLU H 3.940 . 3.940 3.143 2.923 3.392 . 0 0 "[ . 1 . 2]" 2
1092 1 54 PRO QG 1 56 LYS H 4.970 . 4.970 5.055 5.000 5.141 0.171 12 0 "[ . 1 . 2]" 2
1093 1 55 GLU H 1 55 GLU HG2 3.810 . 3.810 3.468 2.260 3.843 0.033 12 0 "[ . 1 . 2]" 2
1094 1 55 GLU H 1 55 GLU HG3 3.810 . 3.810 2.513 2.221 3.716 . 0 0 "[ . 1 . 2]" 2
1095 1 55 GLU H 1 55 GLU QB 2.950 . 2.950 2.440 2.375 2.510 . 0 0 "[ . 1 . 2]" 2
1096 1 55 GLU H 1 55 GLU QG 3.180 . 3.180 2.397 2.182 2.679 . 0 0 "[ . 1 . 2]" 2
1097 1 55 GLU H 1 56 LYS H 3.000 . 3.000 2.451 2.231 2.662 . 0 0 "[ . 1 . 2]" 2
1098 1 55 GLU H 1 56 LYS HA 5.380 . 5.380 4.987 4.773 5.174 . 0 0 "[ . 1 . 2]" 2
1099 1 55 GLU H 1 56 LYS QB 4.580 . 4.580 4.425 4.122 4.627 0.047 4 0 "[ . 1 . 2]" 2
1100 1 55 GLU H 1 56 LYS QG 5.210 . 5.210 3.944 3.607 4.422 . 0 0 "[ . 1 . 2]" 2
1101 1 55 GLU H 1 59 VAL QG 5.100 . 5.100 3.963 3.769 4.084 . 0 0 "[ . 1 . 2]" 2
1102 1 55 GLU HA 1 55 GLU HG2 3.620 . 3.620 2.534 2.412 3.213 . 0 0 "[ . 1 . 2]" 2
1103 1 55 GLU HA 1 55 GLU HG3 3.620 . 3.620 3.155 2.962 3.732 0.112 10 0 "[ . 1 . 2]" 2
1104 1 55 GLU HA 1 60 GLN HE22 5.330 . 5.330 5.374 4.904 5.484 0.154 14 0 "[ . 1 . 2]" 2
1105 1 55 GLU QB 1 56 LYS H 4.180 . 4.180 3.280 2.923 3.601 . 0 0 "[ . 1 . 2]" 2
1106 1 55 GLU QB 1 56 LYS HA 4.450 . 4.450 4.101 3.974 4.247 . 0 0 "[ . 1 . 2]" 2
1107 1 55 GLU QG 1 56 LYS H 5.210 . 5.210 4.281 4.086 4.439 . 0 0 "[ . 1 . 2]" 2
1108 1 56 LYS H 1 56 LYS QB 3.000 . 3.000 2.402 2.239 2.503 . 0 0 "[ . 1 . 2]" 2
1109 1 56 LYS H 1 56 LYS QG 3.350 . 3.350 2.715 2.380 2.932 . 0 0 "[ . 1 . 2]" 2
1110 1 56 LYS H 1 57 LYS H 4.510 . 4.510 4.522 4.472 4.564 0.054 16 0 "[ . 1 . 2]" 2
1111 1 56 LYS H 1 58 TRP H 5.500 . 5.500 5.519 5.415 5.646 0.146 15 0 "[ . 1 . 2]" 2
1112 1 56 LYS H 1 59 VAL H 4.700 . 4.700 4.428 4.319 4.506 . 0 0 "[ . 1 . 2]" 2
1113 1 56 LYS H 1 59 VAL HB 3.560 . 3.560 3.185 2.894 3.455 . 0 0 "[ . 1 . 2]" 2
1114 1 56 LYS H 1 59 VAL MG1 4.600 . 4.600 4.043 3.785 4.306 . 0 0 "[ . 1 . 2]" 2
1115 1 56 LYS H 1 59 VAL MG2 4.600 . 4.600 3.247 3.097 3.387 . 0 0 "[ . 1 . 2]" 2
1116 1 56 LYS H 1 59 VAL QG 3.620 . 3.620 3.116 3.009 3.217 . 0 0 "[ . 1 . 2]" 2
1117 1 56 LYS H 1 60 GLN HG2 5.500 . 5.500 4.219 3.761 4.701 . 0 0 "[ . 1 . 2]" 2
1118 1 56 LYS HA 1 57 LYS H 2.650 . 2.650 2.175 2.127 2.246 . 0 0 "[ . 1 . 2]" 2
1119 1 56 LYS HA 1 57 LYS HA 4.410 . 4.410 4.284 4.220 4.330 . 0 0 "[ . 1 . 2]" 2
1120 1 56 LYS HA 1 57 LYS QB 4.160 . 4.160 4.074 3.995 4.153 . 0 0 "[ . 1 . 2]" 2
1121 1 56 LYS HA 1 59 VAL QG 4.450 . 4.450 4.334 4.248 4.419 . 0 0 "[ . 1 . 2]" 2
1122 1 56 LYS QB 1 57 LYS H 4.470 . 4.470 2.932 2.620 3.139 . 0 0 "[ . 1 . 2]" 2
1123 1 56 LYS QB 1 58 TRP H 3.370 . 3.370 2.845 2.686 2.946 . 0 0 "[ . 1 . 2]" 2
1124 1 56 LYS QB 1 58 TRP HD1 4.930 . 4.930 3.371 2.299 5.082 0.152 16 0 "[ . 1 . 2]" 2
1125 1 56 LYS QB 1 59 VAL H 3.910 . 3.910 2.713 2.504 2.936 . 0 0 "[ . 1 . 2]" 2
1126 1 56 LYS QB 1 59 VAL QG 3.450 . 3.450 1.945 1.866 2.061 . 0 0 "[ . 1 . 2]" 2
1127 1 56 LYS QB 1 60 GLN H 4.400 . 4.400 4.286 4.092 4.474 0.074 6 0 "[ . 1 . 2]" 2
1128 1 56 LYS QG 1 57 LYS H 4.550 . 4.550 4.265 3.806 4.587 0.037 14 0 "[ . 1 . 2]" 2
1129 1 56 LYS QG 1 58 TRP H 4.960 . 4.960 4.916 4.752 5.040 0.080 4 0 "[ . 1 . 2]" 2
1130 1 57 LYS H 1 57 LYS QB 2.640 . 2.640 2.229 2.145 2.274 . 0 0 "[ . 1 . 2]" 2
1131 1 57 LYS H 1 57 LYS QG 4.350 . 4.350 3.974 3.571 4.073 . 0 0 "[ . 1 . 2]" 2
1132 1 57 LYS H 1 58 TRP QB 5.290 . 5.290 4.764 4.602 5.020 . 0 0 "[ . 1 . 2]" 2
1133 1 57 LYS H 1 59 VAL QG 5.310 . 5.310 4.804 4.601 4.903 . 0 0 "[ . 1 . 2]" 2
1134 1 57 LYS HA 1 57 LYS HG2 3.940 . 3.940 3.338 2.288 3.838 . 0 0 "[ . 1 . 2]" 2
1135 1 57 LYS HA 1 57 LYS HG3 3.940 . 3.940 2.830 2.309 3.507 . 0 0 "[ . 1 . 2]" 2
1136 1 57 LYS HA 1 57 LYS QG 3.290 . 3.290 2.613 2.258 3.083 . 0 0 "[ . 1 . 2]" 2
1137 1 57 LYS HA 1 59 VAL H 4.830 . 4.830 4.224 4.094 4.398 . 0 0 "[ . 1 . 2]" 2
1138 1 57 LYS HA 1 60 GLN HG2 4.270 . 4.270 3.119 2.643 3.628 . 0 0 "[ . 1 . 2]" 2
1139 1 57 LYS HA 1 60 GLN QB 3.670 . 3.670 2.644 2.411 2.902 . 0 0 "[ . 1 . 2]" 2
1140 1 57 LYS QB 1 58 TRP H 2.940 . 2.940 2.641 2.482 2.763 . 0 0 "[ . 1 . 2]" 2
1141 1 57 LYS QB 1 58 TRP HA 4.550 . 4.550 4.081 3.692 4.198 . 0 0 "[ . 1 . 2]" 2
1142 1 57 LYS QB 1 58 TRP QB 5.180 . 5.180 4.583 4.381 4.750 . 0 0 "[ . 1 . 2]" 2
1143 1 57 LYS QB 1 59 VAL H 4.890 . 4.890 4.702 4.577 4.792 . 0 0 "[ . 1 . 2]" 2
1144 1 57 LYS QG 1 58 TRP H 4.640 . 4.640 3.827 3.394 4.512 . 0 0 "[ . 1 . 2]" 2
1145 1 57 LYS QG 1 58 TRP HA 5.110 . 5.110 3.923 3.330 5.395 0.285 1 0 "[ . 1 . 2]" 2
1146 1 57 LYS QG 1 61 GLU H 4.830 . 4.830 4.058 3.656 5.006 0.176 1 0 "[ . 1 . 2]" 2
1147 1 57 LYS QG 1 61 GLU QG 3.920 . 3.920 2.549 2.112 3.815 . 0 0 "[ . 1 . 2]" 2
1148 1 58 TRP H 1 58 TRP HD1 3.600 . 3.600 2.712 2.195 3.293 . 0 0 "[ . 1 . 2]" 2
1149 1 58 TRP H 1 58 TRP QB 3.450 . 3.450 2.467 2.293 2.759 . 0 0 "[ . 1 . 2]" 2
1150 1 58 TRP H 1 59 VAL HA 5.500 . 5.500 5.237 5.182 5.285 . 0 0 "[ . 1 . 2]" 2
1151 1 58 TRP H 1 59 VAL QG 4.330 . 4.330 3.916 3.722 4.038 . 0 0 "[ . 1 . 2]" 2
1152 1 58 TRP H 1 60 GLN HG2 5.500 . 5.500 5.260 4.953 5.523 0.023 11 0 "[ . 1 . 2]" 2
1153 1 58 TRP H 1 61 GLU QG 5.340 . 5.340 4.441 4.010 4.828 . 0 0 "[ . 1 . 2]" 2
1154 1 58 TRP HA 1 58 TRP HD1 4.770 . 4.770 4.222 2.791 4.622 . 0 0 "[ . 1 . 2]" 2
1155 1 58 TRP HA 1 61 GLU HB2 3.750 . 3.750 2.688 2.386 2.937 . 0 0 "[ . 1 . 2]" 2
1156 1 58 TRP HA 1 61 GLU HB3 4.710 . 4.710 4.281 3.983 4.554 . 0 0 "[ . 1 . 2]" 2
1157 1 58 TRP HA 1 61 GLU QG 4.140 . 4.140 2.965 2.418 3.422 . 0 0 "[ . 1 . 2]" 2
1158 1 58 TRP HA 1 62 TYR QD 4.940 . 4.940 3.278 3.070 3.470 . 0 0 "[ . 1 . 2]" 2
1159 1 58 TRP HB2 1 59 VAL H 4.730 . 4.730 2.622 2.450 2.896 . 0 0 "[ . 1 . 2]" 2
1160 1 58 TRP HB3 1 59 VAL H 4.730 . 4.730 3.631 3.465 3.897 . 0 0 "[ . 1 . 2]" 2
1161 1 58 TRP HD1 1 59 VAL H 5.220 . 5.220 4.508 3.911 5.144 . 0 0 "[ . 1 . 2]" 2
1162 1 59 VAL H 1 59 VAL HB 3.410 . 3.410 2.500 2.409 2.588 . 0 0 "[ . 1 . 2]" 2
1163 1 59 VAL H 1 59 VAL MG1 3.810 . 3.810 3.752 3.737 3.770 . 0 0 "[ . 1 . 2]" 2
1164 1 59 VAL H 1 59 VAL MG2 3.810 . 3.810 2.092 1.923 2.264 . 0 0 "[ . 1 . 2]" 2
1165 1 59 VAL H 1 59 VAL QG 3.060 . 3.060 2.082 1.917 2.246 . 0 0 "[ . 1 . 2]" 2
1166 1 59 VAL H 1 60 GLN HG2 4.740 . 4.740 4.159 3.990 4.405 . 0 0 "[ . 1 . 2]" 2
1167 1 59 VAL H 1 60 GLN HG3 5.500 . 5.500 5.610 5.562 5.668 0.168 12 0 "[ . 1 . 2]" 2
1168 1 59 VAL H 1 60 GLN QB 4.830 . 4.830 4.552 4.391 4.687 . 0 0 "[ . 1 . 2]" 2
1169 1 59 VAL HA 1 59 VAL MG1 3.430 . 3.430 2.422 2.350 2.507 . 0 0 "[ . 1 . 2]" 2
1170 1 59 VAL HA 1 59 VAL MG2 3.430 . 3.430 2.389 2.327 2.461 . 0 0 "[ . 1 . 2]" 2
1171 1 59 VAL HA 1 60 GLN HA 5.040 . 5.040 4.759 4.705 4.799 . 0 0 "[ . 1 . 2]" 2
1172 1 59 VAL HA 1 62 TYR QB 4.310 . 4.310 2.734 2.572 2.905 . 0 0 "[ . 1 . 2]" 2
1173 1 59 VAL HA 1 63 ILE QG 4.990 . 4.990 3.776 3.553 3.981 . 0 0 "[ . 1 . 2]" 2
1174 1 59 VAL HB 1 60 GLN H 3.230 . 3.230 2.624 2.546 2.702 . 0 0 "[ . 1 . 2]" 2
1175 1 59 VAL HB 1 60 GLN HE21 4.140 . 4.140 3.118 2.313 3.812 . 0 0 "[ . 1 . 2]" 2
1176 1 59 VAL HB 1 60 GLN HE22 5.500 . 5.500 4.740 3.820 5.501 0.001 4 0 "[ . 1 . 2]" 2
1177 1 59 VAL HB 1 60 GLN HG2 3.960 . 3.960 3.272 3.139 3.468 . 0 0 "[ . 1 . 2]" 2
1178 1 59 VAL HB 1 61 GLU H 5.340 . 5.340 5.011 4.946 5.102 . 0 0 "[ . 1 . 2]" 2
1179 1 59 VAL MG1 1 60 GLN H 4.010 . 4.010 3.475 3.288 3.669 . 0 0 "[ . 1 . 2]" 2
1180 1 59 VAL MG2 1 60 GLN H 4.010 . 4.010 3.786 3.666 3.872 . 0 0 "[ . 1 . 2]" 2
1181 1 59 VAL QG 1 60 GLN H 3.340 . 3.340 3.211 3.118 3.267 . 0 0 "[ . 1 . 2]" 2
1182 1 59 VAL QG 1 60 GLN HA 4.390 . 4.390 3.447 3.240 3.635 . 0 0 "[ . 1 . 2]" 2
1183 1 59 VAL QG 1 60 GLN HE21 4.420 . 4.420 2.684 2.213 3.228 . 0 0 "[ . 1 . 2]" 2
1184 1 59 VAL QG 1 60 GLN HE22 4.660 . 4.660 3.689 2.891 4.459 . 0 0 "[ . 1 . 2]" 2
1185 1 59 VAL QG 1 60 GLN HG2 4.510 . 4.510 3.769 3.519 3.906 . 0 0 "[ . 1 . 2]" 2
1186 1 59 VAL QG 1 61 GLU H 5.440 . 5.440 4.622 4.576 4.673 . 0 0 "[ . 1 . 2]" 2
1187 1 59 VAL QG 1 62 TYR H 4.680 . 4.680 4.428 4.364 4.495 . 0 0 "[ . 1 . 2]" 2
1188 1 59 VAL QG 1 63 ILE H 4.020 . 4.020 3.870 3.786 3.941 . 0 0 "[ . 1 . 2]" 2
1189 1 59 VAL QG 1 63 ILE MD 3.960 . 3.960 2.087 1.955 2.273 . 0 0 "[ . 1 . 2]" 2
1190 1 59 VAL QG 1 63 ILE QG 3.670 . 3.670 2.543 2.403 2.669 . 0 0 "[ . 1 . 2]" 2
1191 1 60 GLN H 1 60 GLN HE21 4.530 . 4.530 3.172 2.722 3.631 . 0 0 "[ . 1 . 2]" 2
1192 1 60 GLN H 1 60 GLN HG2 3.160 . 3.160 2.186 2.049 2.392 . 0 0 "[ . 1 . 2]" 2
1193 1 60 GLN H 1 60 GLN HG3 3.670 . 3.670 3.552 3.497 3.627 . 0 0 "[ . 1 . 2]" 2
1194 1 60 GLN H 1 60 GLN QB 2.980 . 2.980 2.438 2.340 2.520 . 0 0 "[ . 1 . 2]" 2
1195 1 60 GLN H 1 61 GLU HA 5.430 . 5.430 5.178 5.145 5.219 . 0 0 "[ . 1 . 2]" 2
1196 1 60 GLN HA 1 60 GLN HE21 4.320 . 4.320 2.486 2.273 2.675 . 0 0 "[ . 1 . 2]" 2
1197 1 60 GLN HA 1 60 GLN HE22 4.620 . 4.620 3.306 3.175 3.409 . 0 0 "[ . 1 . 2]" 2
1198 1 60 GLN HA 1 60 GLN HG2 3.850 . 3.850 3.006 2.799 3.178 . 0 0 "[ . 1 . 2]" 2
1199 1 60 GLN HA 1 60 GLN HG3 3.860 . 3.860 3.779 3.734 3.816 . 0 0 "[ . 1 . 2]" 2
1200 1 60 GLN HA 1 63 ILE HB 3.760 . 3.760 2.500 2.351 2.681 . 0 0 "[ . 1 . 2]" 2
1201 1 60 GLN HA 1 63 ILE MD 4.560 . 4.560 2.820 2.516 3.133 . 0 0 "[ . 1 . 2]" 2
1202 1 60 GLN HA 1 63 ILE QG 4.470 . 4.470 3.726 3.547 3.922 . 0 0 "[ . 1 . 2]" 2
1203 1 60 GLN HA 1 63 ILE MG 4.010 . 4.010 3.761 3.610 3.956 . 0 0 "[ . 1 . 2]" 2
1204 1 60 GLN HE21 1 63 ILE MD 5.170 . 5.170 2.647 2.319 2.996 . 0 0 "[ . 1 . 2]" 2
1205 1 60 GLN HE21 1 63 ILE MG 5.110 . 5.110 4.665 4.122 5.059 . 0 0 "[ . 1 . 2]" 2
1206 1 60 GLN HE21 1 60 GLN HG3 3.460 . 3.460 3.454 3.431 3.471 0.011 7 0 "[ . 1 . 2]" 2
1207 1 60 GLN HE22 1 60 GLN HG3 4.040 . 4.040 4.045 4.037 4.055 0.015 4 0 "[ . 1 . 2]" 2
1208 1 60 GLN QB 1 60 GLN HE21 4.080 . 4.080 3.507 3.450 3.546 . 0 0 "[ . 1 . 2]" 2
1209 1 60 GLN QB 1 61 GLU H 3.280 . 3.280 2.514 2.423 2.615 . 0 0 "[ . 1 . 2]" 2
1210 1 60 GLN QB 1 61 GLU HA 4.640 . 4.640 3.848 3.794 3.922 . 0 0 "[ . 1 . 2]" 2
1211 1 60 GLN QB 1 62 TYR H 4.870 . 4.870 4.693 4.612 4.769 . 0 0 "[ . 1 . 2]" 2
1212 1 60 GLN QB 1 63 ILE H 5.460 . 5.460 4.854 4.778 4.916 . 0 0 "[ . 1 . 2]" 2
1213 1 60 GLN QB 1 64 ASN H 4.970 . 4.970 4.561 4.433 4.661 . 0 0 "[ . 1 . 2]" 2
1214 1 61 GLU H 1 61 GLU HB2 3.100 . 3.100 2.456 2.336 2.565 . 0 0 "[ . 1 . 2]" 2
1215 1 61 GLU H 1 61 GLU HB3 3.660 . 3.660 3.567 3.537 3.584 . 0 0 "[ . 1 . 2]" 2
1216 1 61 GLU H 1 61 GLU HG2 3.370 . 3.370 2.193 2.055 2.368 . 0 0 "[ . 1 . 2]" 2
1217 1 61 GLU H 1 61 GLU HG3 3.370 . 3.370 3.536 3.449 3.623 0.253 12 0 "[ . 1 . 2]" 2
1218 1 61 GLU H 1 61 GLU QG 2.950 . 2.950 2.173 2.041 2.334 . 0 0 "[ . 1 . 2]" 2
1219 1 61 GLU H 1 62 TYR QB 4.820 . 4.820 4.554 4.492 4.617 . 0 0 "[ . 1 . 2]" 2
1220 1 61 GLU H 1 62 TYR QD 4.730 . 4.730 4.026 3.777 4.141 . 0 0 "[ . 1 . 2]" 2
1221 1 61 GLU HA 1 61 GLU HG2 3.750 . 3.750 2.949 2.751 3.121 . 0 0 "[ . 1 . 2]" 2
1222 1 61 GLU HA 1 61 GLU HG3 3.750 . 3.750 3.742 3.670 3.806 0.056 19 0 "[ . 1 . 2]" 2
1223 1 61 GLU HA 1 61 GLU QG 3.190 . 3.190 2.844 2.681 2.976 . 0 0 "[ . 1 . 2]" 2
1224 1 61 GLU HA 1 62 TYR QD 5.190 . 5.190 4.962 4.450 5.348 0.158 7 0 "[ . 1 . 2]" 2
1225 1 61 GLU HA 1 64 ASN HD21 4.050 . 4.050 2.000 1.608 2.260 . 0 0 "[ . 1 . 2]" 2
1226 1 61 GLU HA 1 64 ASN HD22 3.830 . 3.830 3.247 1.963 3.695 . 0 0 "[ . 1 . 2]" 2
1227 1 61 GLU HA 1 64 ASN QB 3.520 . 3.520 2.951 2.636 3.500 . 0 0 "[ . 1 . 2]" 2
1228 1 61 GLU HB2 1 62 TYR H 3.480 . 3.480 2.494 2.327 2.571 . 0 0 "[ . 1 . 2]" 2
1229 1 61 GLU HB2 1 63 ILE H 5.140 . 5.140 4.879 4.750 4.942 . 0 0 "[ . 1 . 2]" 2
1230 1 61 GLU HB3 1 62 TYR H 3.770 . 3.770 3.538 3.413 3.663 . 0 0 "[ . 1 . 2]" 2
1231 1 61 GLU HB3 1 64 ASN HD21 4.750 . 4.750 3.618 3.381 3.917 . 0 0 "[ . 1 . 2]" 2
1232 1 61 GLU HB3 1 64 ASN QB 5.340 . 5.340 5.124 4.790 5.580 0.240 20 0 "[ . 1 . 2]" 2
1233 1 61 GLU HB3 1 65 TYR H 5.320 . 5.320 5.000 4.881 5.086 . 0 0 "[ . 1 . 2]" 2
1234 1 61 GLU QG 1 62 TYR H 4.510 . 4.510 3.949 3.771 4.064 . 0 0 "[ . 1 . 2]" 2
1235 1 61 GLU QG 1 64 ASN HD22 5.340 . 5.340 5.203 3.993 5.471 0.131 3 0 "[ . 1 . 2]" 2
1236 1 62 TYR H 1 62 TYR QB 3.160 . 3.160 2.286 2.238 2.329 . 0 0 "[ . 1 . 2]" 2
1237 1 62 TYR H 1 62 TYR QD 3.200 . 3.200 2.229 2.059 2.377 . 0 0 "[ . 1 . 2]" 2
1238 1 62 TYR H 1 63 ILE HA 5.380 . 5.380 5.202 5.158 5.235 . 0 0 "[ . 1 . 2]" 2
1239 1 62 TYR H 1 63 ILE HB 4.650 . 4.650 4.613 4.554 4.672 0.022 19 0 "[ . 1 . 2]" 2
1240 1 62 TYR H 1 63 ILE MD 5.410 . 5.410 5.427 5.397 5.470 0.060 16 0 "[ . 1 . 2]" 2
1241 1 62 TYR HA 1 62 TYR QD 3.440 . 3.440 2.968 2.838 3.048 . 0 0 "[ . 1 . 2]" 2
1242 1 62 TYR HA 1 65 TYR HB2 4.090 . 4.090 2.745 2.436 3.435 . 0 0 "[ . 1 . 2]" 2
1243 1 62 TYR HA 1 65 TYR HB3 4.140 . 4.140 3.679 2.530 4.170 0.030 15 0 "[ . 1 . 2]" 2
1244 1 62 TYR HB2 1 63 ILE H 3.880 . 3.880 2.879 2.780 2.982 . 0 0 "[ . 1 . 2]" 2
1245 1 62 TYR HB3 1 63 ILE H 3.880 . 3.880 3.552 3.422 3.674 . 0 0 "[ . 1 . 2]" 2
1246 1 62 TYR QB 1 63 ILE H 3.370 . 3.370 2.761 2.672 2.849 . 0 0 "[ . 1 . 2]" 2
1247 1 62 TYR QD 1 63 ILE H 4.720 . 4.720 4.370 4.276 4.412 . 0 0 "[ . 1 . 2]" 2
1248 1 62 TYR QD 1 65 TYR HB2 5.120 . 5.120 4.854 4.427 5.264 0.144 12 0 "[ . 1 . 2]" 2
1249 1 63 ILE H 1 63 ILE HB 3.180 . 3.180 2.357 2.306 2.395 . 0 0 "[ . 1 . 2]" 2
1250 1 63 ILE H 1 63 ILE QG 3.490 . 3.490 2.488 2.408 2.571 . 0 0 "[ . 1 . 2]" 2
1251 1 63 ILE H 1 63 ILE MG 3.840 . 3.840 3.726 3.691 3.748 . 0 0 "[ . 1 . 2]" 2
1252 1 63 ILE H 1 64 ASN QB 4.390 . 4.390 4.377 4.293 4.549 0.159 20 0 "[ . 1 . 2]" 2
1253 1 63 ILE H 1 66 LEU QB 5.340 . 5.340 5.003 4.610 5.408 0.068 11 0 "[ . 1 . 2]" 2
1254 1 63 ILE HA 1 63 ILE MD 3.890 . 3.890 3.791 3.778 3.804 . 0 0 "[ . 1 . 2]" 2
1255 1 63 ILE HA 1 63 ILE QG 3.820 . 3.820 2.311 2.287 2.327 . 0 0 "[ . 1 . 2]" 2
1256 1 63 ILE HA 1 63 ILE MG 3.240 . 3.240 2.585 2.552 2.627 . 0 0 "[ . 1 . 2]" 2
1257 1 63 ILE HA 1 66 LEU HG 4.390 . 4.390 4.072 2.580 4.427 0.037 8 0 "[ . 1 . 2]" 2
1258 1 63 ILE HA 1 66 LEU QB 4.210 . 4.210 3.062 2.784 4.056 . 0 0 "[ . 1 . 2]" 2
1259 1 63 ILE HB 1 64 ASN H 3.300 . 3.300 2.557 2.496 2.657 . 0 0 "[ . 1 . 2]" 2
1260 1 63 ILE HB 1 64 ASN QB 4.490 . 4.490 3.960 3.872 4.097 . 0 0 "[ . 1 . 2]" 2
1261 1 63 ILE MD 1 64 ASN H 4.740 . 4.740 4.581 4.525 4.657 . 0 0 "[ . 1 . 2]" 2
1262 1 63 ILE QG 1 64 ASN H 4.400 . 4.400 4.156 4.119 4.228 . 0 0 "[ . 1 . 2]" 2
1263 1 63 ILE MD 1 63 ILE MG 3.520 . 3.520 1.933 1.891 1.975 . 0 0 "[ . 1 . 2]" 2
1264 1 63 ILE QG 1 63 ILE MG 3.270 . 3.270 2.344 2.331 2.350 . 0 0 "[ . 1 . 2]" 2
1265 1 63 ILE MG 1 64 ASN H 3.240 . 3.240 2.966 2.873 3.085 . 0 0 "[ . 1 . 2]" 2
1266 1 63 ILE MG 1 64 ASN HA 3.700 . 3.700 2.970 2.884 3.024 . 0 0 "[ . 1 . 2]" 2
1267 1 63 ILE MG 1 64 ASN HB2 4.710 . 4.710 4.159 3.913 4.496 . 0 0 "[ . 1 . 2]" 2
1268 1 63 ILE MG 1 64 ASN HB3 4.710 . 4.710 4.022 3.777 4.117 . 0 0 "[ . 1 . 2]" 2
1269 1 63 ILE MG 1 64 ASN HD21 5.500 . 5.500 5.551 5.103 5.649 0.149 9 0 "[ . 1 . 2]" 2
1270 1 63 ILE MG 1 64 ASN QB 4.130 . 4.130 3.635 3.511 3.743 . 0 0 "[ . 1 . 2]" 2
1271 1 63 ILE MG 1 66 LEU H 4.980 . 4.980 4.750 4.678 4.813 . 0 0 "[ . 1 . 2]" 2
1272 1 63 ILE MG 1 67 GLU H 4.110 . 4.110 4.008 3.875 4.099 . 0 0 "[ . 1 . 2]" 2
1273 1 63 ILE MG 1 67 GLU HB3 4.460 . 4.460 3.091 2.939 3.205 . 0 0 "[ . 1 . 2]" 2
1274 1 63 ILE MG 1 67 GLU HG2 3.860 . 3.860 3.644 3.500 3.809 . 0 0 "[ . 1 . 2]" 2
1275 1 63 ILE MG 1 67 GLU HG3 4.930 . 4.930 4.838 4.690 4.951 0.021 19 0 "[ . 1 . 2]" 2
1276 1 64 ASN H 1 64 ASN HB2 3.410 . 3.410 3.296 3.192 3.517 0.107 20 0 "[ . 1 . 2]" 2
1277 1 64 ASN H 1 64 ASN HB3 3.410 . 3.410 2.085 2.037 2.190 . 0 0 "[ . 1 . 2]" 2
1278 1 64 ASN H 1 64 ASN HD21 4.320 . 4.320 3.154 2.741 3.357 . 0 0 "[ . 1 . 2]" 2
1279 1 64 ASN H 1 64 ASN HD22 4.780 . 4.780 4.686 4.082 4.883 0.103 16 0 "[ . 1 . 2]" 2
1280 1 64 ASN H 1 64 ASN QB 2.690 . 2.690 2.063 2.015 2.169 . 0 0 "[ . 1 . 2]" 2
1281 1 64 ASN H 1 67 GLU HB3 5.250 . 5.250 5.331 5.263 5.390 0.140 16 0 "[ . 1 . 2]" 2
1282 1 64 ASN HA 1 64 ASN HD21 4.250 . 4.250 4.261 4.224 4.336 0.086 8 0 "[ . 1 . 2]" 2
1283 1 64 ASN HA 1 67 GLU HB3 3.800 . 3.800 3.718 3.563 3.827 0.027 16 0 "[ . 1 . 2]" 2
1284 1 64 ASN HA 1 67 GLU HG2 3.580 . 3.580 1.977 1.817 2.117 . 0 0 "[ . 1 . 2]" 2
1285 1 64 ASN HA 1 67 GLU HG3 3.460 . 3.460 3.425 3.298 3.510 0.050 7 0 "[ . 1 . 2]" 2
1286 1 64 ASN HB2 1 65 TYR HA 5.500 . 5.500 5.393 5.084 5.518 0.018 13 0 "[ . 1 . 2]" 2
1287 1 64 ASN HB3 1 65 TYR HA 5.500 . 5.500 5.270 5.162 5.528 0.028 20 0 "[ . 1 . 2]" 2
1288 1 64 ASN HD21 1 65 TYR H 3.560 . 3.560 2.815 2.599 3.543 . 0 0 "[ . 1 . 2]" 2
1289 1 64 ASN HD22 1 65 TYR H 4.670 . 4.670 3.734 3.529 3.957 . 0 0 "[ . 1 . 2]" 2
1290 1 64 ASN QB 1 64 ASN HD22 3.400 . 3.400 3.277 3.212 3.306 . 0 0 "[ . 1 . 2]" 2
1291 1 64 ASN QB 1 65 TYR H 3.340 . 3.340 3.253 3.162 3.466 0.126 20 0 "[ . 1 . 2]" 2
1292 1 65 TYR H 1 65 TYR HA 2.940 . 2.940 2.867 2.844 2.883 . 0 0 "[ . 1 . 2]" 2
1293 1 65 TYR H 1 65 TYR HB2 2.870 . 2.870 2.391 2.240 2.608 . 0 0 "[ . 1 . 2]" 2
1294 1 65 TYR H 1 65 TYR HB3 3.800 . 3.800 3.309 2.520 3.628 . 0 0 "[ . 1 . 2]" 2
1295 1 65 TYR H 1 66 LEU QB 4.740 . 4.740 4.541 4.101 4.611 . 0 0 "[ . 1 . 2]" 2
1296 1 65 TYR H 1 68 MET H 4.850 . 4.850 4.838 4.724 4.880 0.030 5 0 "[ . 1 . 2]" 2
1297 1 65 TYR H 1 68 MET HG2 4.280 . 4.280 4.399 4.336 4.453 0.173 9 0 "[ . 1 . 2]" 2
1298 1 65 TYR HA 1 68 MET HB2 5.030 . 5.030 5.016 4.925 5.092 0.062 17 0 "[ . 1 . 2]" 2
1299 1 65 TYR HA 1 68 MET HG2 4.320 . 4.320 2.147 2.038 2.222 . 0 0 "[ . 1 . 2]" 2
1300 1 65 TYR HA 1 68 MET HG3 4.320 . 4.320 3.217 3.090 3.468 . 0 0 "[ . 1 . 2]" 2
1301 1 65 TYR HB2 1 66 LEU H 4.250 . 4.250 3.114 2.629 3.872 . 0 0 "[ . 1 . 2]" 2
1302 1 65 TYR HB3 1 66 LEU H 3.540 . 3.540 3.271 2.473 3.640 0.100 19 0 "[ . 1 . 2]" 2
1303 1 65 TYR HB3 1 66 LEU HA 4.560 . 4.560 4.140 3.927 4.266 . 0 0 "[ . 1 . 2]" 2
1304 1 65 TYR HB3 1 68 MET H 5.500 . 5.500 5.443 5.258 5.584 0.084 14 0 "[ . 1 . 2]" 2
1305 1 65 TYR HB3 1 69 SER H 5.500 . 5.500 5.374 4.851 5.672 0.172 7 0 "[ . 1 . 2]" 2
1306 1 66 LEU H 1 66 LEU HB2 3.640 . 3.640 2.627 2.381 3.631 . 0 0 "[ . 1 . 2]" 2
1307 1 66 LEU H 1 66 LEU HB3 3.640 . 3.640 3.353 2.061 3.633 . 0 0 "[ . 1 . 2]" 2
1308 1 66 LEU H 1 66 LEU HG 3.470 . 3.470 2.686 2.498 3.906 0.436 12 0 "[ . 1 . 2]" 2
1309 1 66 LEU H 1 66 LEU QB 3.050 . 3.050 2.363 2.025 2.418 . 0 0 "[ . 1 . 2]" 2
1310 1 66 LEU H 1 67 GLU HB3 4.880 . 4.880 4.784 4.687 4.884 0.004 17 0 "[ . 1 . 2]" 2
1311 1 66 LEU H 1 67 GLU HG2 4.440 . 4.440 4.184 4.039 4.396 . 0 0 "[ . 1 . 2]" 2
1312 1 66 LEU H 1 68 MET H 4.630 . 4.630 4.019 3.939 4.109 . 0 0 "[ . 1 . 2]" 2
1313 1 66 LEU H 1 68 MET HG2 5.190 . 5.190 4.427 4.333 4.497 . 0 0 "[ . 1 . 2]" 2
1314 1 66 LEU H 1 69 SER H 5.210 . 5.210 4.557 4.326 4.779 . 0 0 "[ . 1 . 2]" 2
1315 1 66 LEU HA 1 66 LEU HG 3.880 . 3.880 3.145 2.937 3.760 . 0 0 "[ . 1 . 2]" 2
1316 1 66 LEU HA 1 67 GLU H 3.550 . 3.550 3.490 3.449 3.519 . 0 0 "[ . 1 . 2]" 2
1317 1 66 LEU HA 1 68 MET H 4.080 . 4.080 4.019 3.754 4.117 0.037 12 0 "[ . 1 . 2]" 2
1318 1 66 LEU HA 1 69 SER H 3.940 . 3.940 3.052 2.759 3.295 . 0 0 "[ . 1 . 2]" 2
1319 1 66 LEU HA 1 69 SER HA 4.470 . 4.470 3.257 2.524 4.575 0.105 15 0 "[ . 1 . 2]" 2
1320 1 66 LEU HB2 1 67 GLU H 4.290 . 4.290 3.266 2.861 4.305 0.015 15 0 "[ . 1 . 2]" 2
1321 1 66 LEU HB3 1 67 GLU H 4.290 . 4.290 3.818 3.066 4.002 . 0 0 "[ . 1 . 2]" 2
1322 1 66 LEU HG 1 67 GLU H 4.700 . 4.700 4.250 2.553 4.691 . 0 0 "[ . 1 . 2]" 2
1323 1 66 LEU QB 1 67 GLU H 3.510 . 3.510 3.022 2.776 3.648 0.138 15 0 "[ . 1 . 2]" 2
1324 1 66 LEU QB 1 68 MET H 5.340 . 5.340 4.758 4.576 5.101 . 0 0 "[ . 1 . 2]" 2
1325 1 66 LEU QB 1 69 SER H 5.340 . 5.340 4.559 4.282 4.860 . 0 0 "[ . 1 . 2]" 2
1326 1 67 GLU H 1 67 GLU HA 2.920 . 2.920 2.848 2.823 2.874 . 0 0 "[ . 1 . 2]" 2
1327 1 67 GLU H 1 67 GLU HB2 3.640 . 3.640 3.628 3.604 3.649 0.009 3 0 "[ . 1 . 2]" 2
1328 1 67 GLU H 1 67 GLU HB3 2.850 . 2.850 2.514 2.438 2.587 . 0 0 "[ . 1 . 2]" 2
1329 1 67 GLU H 1 67 GLU HG2 3.160 . 3.160 2.337 2.195 2.446 . 0 0 "[ . 1 . 2]" 2
1330 1 67 GLU H 1 67 GLU HG3 3.680 . 3.680 3.423 3.314 3.519 . 0 0 "[ . 1 . 2]" 2
1331 1 67 GLU H 1 68 MET H 2.920 . 2.920 2.513 2.410 2.606 . 0 0 "[ . 1 . 2]" 2
1332 1 67 GLU H 1 68 MET HG2 5.500 . 5.500 4.014 3.809 4.122 . 0 0 "[ . 1 . 2]" 2
1333 1 67 GLU H 1 68 MET HG3 5.500 . 5.500 5.285 5.104 5.499 . 0 0 "[ . 1 . 2]" 2
1334 1 67 GLU H 1 69 SER H 3.980 . 3.980 3.743 3.551 3.979 . 0 0 "[ . 1 . 2]" 2
1335 1 67 GLU HA 1 67 GLU HG3 3.710 . 3.710 3.687 3.627 3.728 0.018 1 0 "[ . 1 . 2]" 2
1336 1 67 GLU HA 1 68 MET H 3.560 . 3.560 3.481 3.426 3.515 . 0 0 "[ . 1 . 2]" 2
1337 1 67 GLU HB2 1 68 MET H 4.300 . 4.300 4.038 3.931 4.193 . 0 0 "[ . 1 . 2]" 2
1338 1 67 GLU HB3 1 68 MET H 4.440 . 4.440 3.974 3.929 4.041 . 0 0 "[ . 1 . 2]" 2
1339 1 67 GLU HG2 1 68 MET H 4.800 . 4.800 2.742 2.594 3.028 . 0 0 "[ . 1 . 2]" 2
1340 1 67 GLU HG3 1 68 MET H 3.130 . 3.130 2.650 2.445 2.818 . 0 0 "[ . 1 . 2]" 2
1341 1 67 GLU HG3 1 68 MET HA 3.810 . 3.810 3.482 3.198 3.758 . 0 0 "[ . 1 . 2]" 2
1342 1 67 GLU HG3 1 68 MET HB3 3.440 . 3.440 3.093 2.936 3.262 . 0 0 "[ . 1 . 2]" 2
1343 1 68 MET H 1 68 MET HB2 3.820 . 3.820 3.678 3.653 3.718 . 0 0 "[ . 1 . 2]" 2
1344 1 68 MET H 1 68 MET HB3 4.030 . 4.030 2.790 2.649 2.927 . 0 0 "[ . 1 . 2]" 2
1345 1 68 MET H 1 68 MET HG2 3.710 . 3.710 2.160 2.061 2.253 . 0 0 "[ . 1 . 2]" 2
1346 1 68 MET H 1 68 MET HG3 3.780 . 3.780 3.152 3.041 3.324 . 0 0 "[ . 1 . 2]" 2
1347 1 68 MET H 1 69 SER H 3.030 . 3.030 2.230 2.063 2.399 . 0 0 "[ . 1 . 2]" 2
1348 1 68 MET HA 1 68 MET HG2 4.010 . 4.010 3.804 3.761 3.843 . 0 0 "[ . 1 . 2]" 2
1349 1 68 MET HA 1 68 MET HG3 3.720 . 3.720 3.736 3.712 3.768 0.048 16 0 "[ . 1 . 2]" 2
1350 1 68 MET HA 1 69 SER QB 4.530 . 4.530 4.280 4.010 4.966 0.436 1 0 "[ . 1 . 2]" 2
1351 1 68 MET HB2 1 69 SER H 4.090 . 4.090 4.098 3.961 4.272 0.182 7 0 "[ . 1 . 2]" 2
1352 1 68 MET HG2 1 69 SER H 4.750 . 4.750 3.098 2.688 3.401 . 0 0 "[ . 1 . 2]" 2
1353 1 68 MET HG3 1 69 SER H 3.680 . 3.680 2.898 2.479 3.494 . 0 0 "[ . 1 . 2]" 2
1354 1 69 SER H 1 69 SER HA 2.860 . 2.860 2.313 2.220 2.869 0.009 1 0 "[ . 1 . 2]" 2
1355 1 69 SER H 1 69 SER HB2 3.920 . 3.920 3.294 2.810 3.975 0.055 13 0 "[ . 1 . 2]" 2
1356 1 69 SER H 1 69 SER HB3 3.920 . 3.920 3.785 2.990 4.042 0.122 7 0 "[ . 1 . 2]" 2
1357 1 69 SER H 1 69 SER QB 3.120 . 3.120 3.073 2.746 3.342 0.222 7 0 "[ . 1 . 2]" 2
1358 1 69 SER HA 1 69 SER QB 2.640 . 2.640 2.366 2.180 2.432 . 0 0 "[ . 1 . 2]" 2
1359 2 6 SER H 2 6 SER HB2 4.060 . 4.060 3.356 2.543 3.886 . 0 0 "[ . 1 . 2]" 2
1360 2 6 SER H 2 6 SER HB3 4.060 . 4.060 3.882 3.122 4.103 0.043 17 0 "[ . 1 . 2]" 2
1361 2 6 SER H 2 6 SER QB 3.330 . 3.330 3.130 2.496 3.420 0.090 17 0 "[ . 1 . 2]" 2
1362 2 6 SER H 2 7 ASP H 3.250 . 3.250 3.051 2.076 3.413 0.163 19 0 "[ . 1 . 2]" 2
1363 2 6 SER HB2 2 7 ASP H 4.490 . 4.490 4.396 4.096 4.610 0.120 10 0 "[ . 1 . 2]" 2
1364 2 6 SER HB3 2 7 ASP H 4.490 . 4.490 4.241 3.903 4.527 0.037 12 0 "[ . 1 . 2]" 2
1365 2 7 ASP H 2 7 ASP HB3 3.790 . 3.790 3.093 2.647 3.570 . 0 0 "[ . 1 . 2]" 2
1366 2 7 ASP H 2 7 ASP QB 3.300 . 3.300 2.963 2.587 3.283 . 0 0 "[ . 1 . 2]" 2
1367 2 7 ASP HB2 2 8 THR H 4.220 . 4.220 2.084 1.698 3.926 . 0 0 "[ . 1 . 2]" 2
1368 2 7 ASP HB3 2 8 THR H 4.220 . 4.220 3.514 3.212 3.933 . 0 0 "[ . 1 . 2]" 2
1369 2 8 THR H 2 8 THR HB 4.200 . 4.200 3.490 2.988 3.888 . 0 0 "[ . 1 . 2]" 2
1370 2 8 THR H 2 8 THR MG 3.800 . 3.800 2.649 2.280 3.816 0.016 7 0 "[ . 1 . 2]" 2
1371 2 8 THR H 2 9 THR H 4.680 . 4.680 4.390 3.814 4.556 . 0 0 "[ . 1 . 2]" 2
1372 2 8 THR HA 2 8 THR MG 3.390 . 3.390 2.189 2.141 2.225 . 0 0 "[ . 1 . 2]" 2
1373 2 8 THR HA 2 9 THR H 3.090 . 3.090 2.116 2.061 2.149 . 0 0 "[ . 1 . 2]" 2
1374 2 8 THR HA 2 9 THR HA 4.620 . 4.620 4.370 4.332 4.409 . 0 0 "[ . 1 . 2]" 2
1375 2 8 THR HB 2 9 THR H 4.070 . 4.070 3.599 3.140 3.910 . 0 0 "[ . 1 . 2]" 2
1376 2 9 THR H 2 9 THR HB 3.200 . 3.200 2.524 2.406 2.668 . 0 0 "[ . 1 . 2]" 2
1377 2 9 THR HA 2 9 THR MG 3.710 . 3.710 2.381 2.277 2.471 . 0 0 "[ . 1 . 2]" 2
1378 2 9 THR HA 2 10 PRO HB3 5.110 . 5.110 5.094 4.901 5.322 0.212 15 0 "[ . 1 . 2]" 2
1379 2 9 THR MG 2 32 SER H 4.910 . 4.910 4.061 3.257 4.456 . 0 0 "[ . 1 . 2]" 2
1380 2 9 THR MG 2 32 SER HA 4.870 . 4.870 4.461 4.242 4.888 0.018 3 0 "[ . 1 . 2]" 2
1381 2 9 THR MG 2 32 SER QB 3.960 . 3.960 2.193 1.865 2.456 . 0 0 "[ . 1 . 2]" 2
1382 2 9 THR MG 2 33 SER H 5.360 . 5.360 4.775 4.336 5.290 . 0 0 "[ . 1 . 2]" 2
1383 2 9 THR MG 2 34 LYS H 4.660 . 4.660 3.494 3.057 4.101 . 0 0 "[ . 1 . 2]" 2
1384 2 9 THR MG 2 34 LYS QG 4.070 . 4.070 2.847 2.032 4.071 0.001 6 0 "[ . 1 . 2]" 2
1385 2 9 THR MG 2 35 CYS H 4.410 . 4.410 3.947 3.216 4.431 0.021 6 0 "[ . 1 . 2]" 2
1386 2 10 PRO HA 2 11 CYS H 3.150 . 3.150 2.162 2.130 2.200 . 0 0 "[ . 1 . 2]" 2
1387 2 10 PRO HB2 2 11 CYS H 4.070 . 4.070 3.911 3.710 4.097 0.027 4 0 "[ . 1 . 2]" 2
1388 2 10 PRO HB2 2 41 VAL QG 5.500 . 5.500 4.101 3.465 4.686 . 0 0 "[ . 1 . 2]" 2
1389 2 10 PRO HB3 2 11 CYS H 4.200 . 4.200 4.142 3.913 4.245 0.045 19 0 "[ . 1 . 2]" 2
1390 2 11 CYS H 2 11 CYS HB2 3.970 . 3.970 3.051 2.946 3.190 . 0 0 "[ . 1 . 2]" 2
1391 2 11 CYS H 2 11 CYS HB3 3.970 . 3.970 2.797 2.712 2.876 . 0 0 "[ . 1 . 2]" 2
1392 2 11 CYS H 2 11 CYS QB 3.390 . 3.390 2.587 2.536 2.654 . 0 0 "[ . 1 . 2]" 2
1393 2 11 CYS HA 2 12 CYS H 3.500 . 3.500 2.492 2.412 2.639 . 0 0 "[ . 1 . 2]" 2
1394 2 11 CYS HA 2 31 THR MG 3.670 . 3.670 2.993 2.243 3.579 . 0 0 "[ . 1 . 2]" 2
1395 2 11 CYS HB2 2 12 CYS H 4.220 . 4.220 3.869 3.747 4.036 . 0 0 "[ . 1 . 2]" 2
1396 2 11 CYS HB3 2 12 CYS H 4.060 . 4.060 3.371 3.048 3.658 . 0 0 "[ . 1 . 2]" 2
1397 2 11 CYS QB 2 12 CYS H 3.530 . 3.530 3.171 2.921 3.399 . 0 0 "[ . 1 . 2]" 2
1398 2 12 CYS H 2 12 CYS QB 3.530 . 3.530 3.196 2.847 3.410 . 0 0 "[ . 1 . 2]" 2
1399 2 12 CYS H 2 13 PHE H 4.530 . 4.530 4.263 4.166 4.342 . 0 0 "[ . 1 . 2]" 2
1400 2 12 CYS H 2 31 THR MG 3.890 . 3.890 2.957 2.531 3.568 . 0 0 "[ . 1 . 2]" 2
1401 2 12 CYS H 2 37 ASN QD 5.340 . 5.340 3.886 3.380 4.866 . 0 0 "[ . 1 . 2]" 2
1402 2 12 CYS H 2 39 ALA MB 4.030 . 4.030 3.813 3.187 4.139 0.109 15 0 "[ . 1 . 2]" 2
1403 2 12 CYS H 2 51 CYS QB 5.340 . 5.340 5.247 5.015 5.467 0.127 7 0 "[ . 1 . 2]" 2
1404 2 12 CYS HA 2 13 PHE H 3.180 . 3.180 2.290 2.191 2.458 . 0 0 "[ . 1 . 2]" 2
1405 2 12 CYS HA 2 13 PHE HA 4.830 . 4.830 4.497 4.423 4.637 . 0 0 "[ . 1 . 2]" 2
1406 2 12 CYS HB2 2 13 PHE H 4.390 . 4.390 3.095 2.206 4.157 . 0 0 "[ . 1 . 2]" 2
1407 2 12 CYS HB3 2 13 PHE H 4.390 . 4.390 3.625 2.737 3.946 . 0 0 "[ . 1 . 2]" 2
1408 2 12 CYS QB 2 13 PHE H 3.840 . 3.840 2.774 2.186 3.412 . 0 0 "[ . 1 . 2]" 2
1409 2 12 CYS QB 2 31 THR MG 4.760 . 4.760 3.417 2.512 3.866 . 0 0 "[ . 1 . 2]" 2
1410 2 12 CYS QB 2 41 VAL QG 4.900 . 4.900 3.806 3.220 4.368 . 0 0 "[ . 1 . 2]" 2
1411 2 13 PHE H 2 13 PHE HB2 3.900 . 3.900 3.516 2.957 3.922 0.022 7 0 "[ . 1 . 2]" 2
1412 2 13 PHE H 2 13 PHE HB3 3.900 . 3.900 3.160 2.801 3.919 0.019 4 0 "[ . 1 . 2]" 2
1413 2 13 PHE H 2 13 PHE QB 3.400 . 3.400 2.923 2.662 3.365 . 0 0 "[ . 1 . 2]" 2
1414 2 13 PHE H 2 14 ALA H 3.900 . 3.900 3.154 2.301 3.817 . 0 0 "[ . 1 . 2]" 2
1415 2 13 PHE H 2 14 ALA HA 5.140 . 5.140 4.769 4.261 5.050 . 0 0 "[ . 1 . 2]" 2
1416 2 13 PHE H 2 14 ALA MB 4.160 . 4.160 3.372 3.211 3.698 . 0 0 "[ . 1 . 2]" 2
1417 2 13 PHE HA 2 14 ALA MB 4.690 . 4.690 4.269 4.101 4.575 . 0 0 "[ . 1 . 2]" 2
1418 2 13 PHE HA 2 53 ASN HD21 3.610 . 3.610 3.618 3.285 3.903 0.293 2 0 "[ . 1 . 2]" 2
1419 2 13 PHE HA 2 53 ASN HD22 3.610 . 3.610 2.349 1.790 2.926 . 0 0 "[ . 1 . 2]" 2
1420 2 13 PHE HA 2 53 ASN QD 3.030 . 3.030 2.311 1.782 2.792 . 0 0 "[ . 1 . 2]" 2
1421 2 13 PHE HB2 2 14 ALA H 4.760 . 4.760 4.495 4.150 4.635 . 0 0 "[ . 1 . 2]" 2
1422 2 13 PHE HB3 2 14 ALA H 4.760 . 4.760 4.508 4.257 4.681 . 0 0 "[ . 1 . 2]" 2
1423 2 13 PHE QB 2 14 ALA H 4.110 . 4.110 4.004 3.846 4.074 . 0 0 "[ . 1 . 2]" 2
1424 2 13 PHE QB 2 14 ALA MB 4.570 . 4.570 4.345 4.039 4.792 0.222 9 0 "[ . 1 . 2]" 2
1425 2 13 PHE QB 2 53 ASN QD 3.520 . 3.520 3.490 2.847 3.652 0.132 18 0 "[ . 1 . 2]" 2
1426 2 14 ALA H 2 14 ALA MB 3.040 . 3.040 2.771 2.353 2.925 . 0 0 "[ . 1 . 2]" 2
1427 2 14 ALA H 2 15 TYR H 4.450 . 4.450 4.298 4.237 4.380 . 0 0 "[ . 1 . 2]" 2
1428 2 14 ALA H 2 39 ALA MB 4.610 . 4.610 3.808 3.366 4.144 . 0 0 "[ . 1 . 2]" 2
1429 2 14 ALA H 2 51 CYS QB 5.340 . 5.340 3.714 3.158 4.269 . 0 0 "[ . 1 . 2]" 2
1430 2 14 ALA H 2 52 ALA HA 3.860 . 3.860 3.951 3.880 4.046 0.186 9 0 "[ . 1 . 2]" 2
1431 2 14 ALA H 2 52 ALA MB 5.240 . 5.240 5.333 5.255 5.417 0.177 13 0 "[ . 1 . 2]" 2
1432 2 14 ALA H 2 53 ASN QD 3.790 . 3.790 3.027 2.362 3.854 0.064 13 0 "[ . 1 . 2]" 2
1433 2 14 ALA HA 2 15 TYR H 2.730 . 2.730 2.537 2.317 2.747 0.017 8 0 "[ . 1 . 2]" 2
1434 2 14 ALA HA 2 15 TYR HB3 4.440 . 4.440 4.373 4.248 4.463 0.023 16 0 "[ . 1 . 2]" 2
1435 2 14 ALA HA 2 15 TYR QD 4.430 . 4.430 3.212 2.855 3.529 . 0 0 "[ . 1 . 2]" 2
1436 2 14 ALA MB 2 15 TYR H 2.770 . 2.770 2.134 1.843 2.527 . 0 0 "[ . 1 . 2]" 2
1437 2 15 TYR H 2 15 TYR HB2 4.040 . 4.040 3.934 3.806 4.019 . 0 0 "[ . 1 . 2]" 2
1438 2 15 TYR H 2 15 TYR HB3 3.520 . 3.520 3.437 3.087 3.559 0.039 14 0 "[ . 1 . 2]" 2
1439 2 15 TYR H 2 15 TYR QD 3.540 . 3.540 3.124 2.499 3.428 . 0 0 "[ . 1 . 2]" 2
1440 2 15 TYR H 2 15 TYR QE 4.680 . 4.680 4.454 4.093 4.688 0.008 14 0 "[ . 1 . 2]" 2
1441 2 15 TYR H 2 16 LEU H 4.460 . 4.460 4.159 1.703 4.413 . 0 0 "[ . 1 . 2]" 2
1442 2 15 TYR H 2 53 ASN H 5.500 . 5.500 4.838 4.489 5.305 . 0 0 "[ . 1 . 2]" 2
1443 2 15 TYR HA 2 16 LEU H 3.450 . 3.450 2.421 2.154 3.280 . 0 0 "[ . 1 . 2]" 2
1444 2 15 TYR HA 2 52 ALA MB 3.730 . 3.730 2.808 2.497 3.153 . 0 0 "[ . 1 . 2]" 2
1445 2 15 TYR HB2 2 16 LEU H 4.520 . 4.520 2.588 2.015 4.201 . 0 0 "[ . 1 . 2]" 2
1446 2 15 TYR HB2 2 52 ALA HA 5.190 . 5.190 3.800 3.157 4.624 . 0 0 "[ . 1 . 2]" 2
1447 2 15 TYR HB2 2 52 ALA MB 4.520 . 4.520 3.184 2.693 4.083 . 0 0 "[ . 1 . 2]" 2
1448 2 15 TYR HB2 2 53 ASN H 4.280 . 4.280 3.477 2.890 4.172 . 0 0 "[ . 1 . 2]" 2
1449 2 15 TYR HB3 2 52 ALA HA 4.540 . 4.540 3.095 2.202 4.423 . 0 0 "[ . 1 . 2]" 2
1450 2 15 TYR HB3 2 52 ALA MB 4.850 . 4.850 3.324 2.589 4.572 . 0 0 "[ . 1 . 2]" 2
1451 2 15 TYR HB3 2 53 ASN H 4.090 . 4.090 2.234 1.810 3.283 . 0 0 "[ . 1 . 2]" 2
1452 2 15 TYR QD 2 16 LEU H 4.040 . 4.040 3.434 2.655 4.058 0.018 19 0 "[ . 1 . 2]" 2
1453 2 15 TYR QD 2 16 LEU HB3 5.500 . 5.500 5.336 4.696 5.634 0.134 10 0 "[ . 1 . 2]" 2
1454 2 15 TYR QD 2 53 ASN H 4.810 . 4.810 3.784 3.012 4.886 0.076 9 0 "[ . 1 . 2]" 2
1455 2 15 TYR QD 2 53 ASN QD 5.340 . 5.340 4.273 3.283 5.353 0.013 8 0 "[ . 1 . 2]" 2
1456 2 16 LEU H 2 16 LEU HB2 3.490 . 3.490 2.553 2.179 3.159 . 0 0 "[ . 1 . 2]" 2
1457 2 16 LEU H 2 16 LEU HB3 3.490 . 3.490 3.163 2.384 3.606 0.116 6 0 "[ . 1 . 2]" 2
1458 2 16 LEU H 2 52 ALA HA 4.860 . 4.860 4.073 3.650 4.479 . 0 0 "[ . 1 . 2]" 2
1459 2 16 LEU H 2 52 ALA MB 4.450 . 4.450 3.227 2.658 3.963 . 0 0 "[ . 1 . 2]" 2
1460 2 16 LEU H 2 53 ASN H 5.370 . 5.370 5.012 4.227 5.460 0.090 6 0 "[ . 1 . 2]" 2
1461 2 16 LEU HA 2 16 LEU QD 3.300 . 3.300 2.304 2.074 2.911 . 0 0 "[ . 1 . 2]" 2
1462 2 16 LEU HA 2 17 SER H 2.740 . 2.740 2.114 2.051 2.258 . 0 0 "[ . 1 . 2]" 2
1463 2 16 LEU HA 2 17 SER QB 4.240 . 4.240 4.354 4.301 4.397 0.157 12 0 "[ . 1 . 2]" 2
1464 2 16 LEU HA 2 18 LEU H 3.960 . 3.960 3.681 3.294 3.975 0.015 20 0 "[ . 1 . 2]" 2
1465 2 16 LEU HB2 2 18 LEU H 4.790 . 4.790 4.586 3.787 4.859 0.069 9 0 "[ . 1 . 2]" 2
1466 2 16 LEU HB3 2 18 LEU H 4.790 . 4.790 3.232 2.210 4.463 . 0 0 "[ . 1 . 2]" 2
1467 2 16 LEU HG 2 17 SER H 3.830 . 3.830 3.886 3.449 4.122 0.292 20 0 "[ . 1 . 2]" 2
1468 2 16 LEU QB 2 18 LEU H 4.180 . 4.180 3.148 2.195 4.126 . 0 0 "[ . 1 . 2]" 2
1469 2 16 LEU MD1 2 19 ALA H 5.500 . 5.500 5.468 4.950 5.672 0.172 6 0 "[ . 1 . 2]" 2
1470 2 16 LEU MD1 2 19 ALA HA 5.340 . 5.340 4.276 3.545 5.250 . 0 0 "[ . 1 . 2]" 2
1471 2 16 LEU MD1 2 19 ALA MB 5.500 . 5.500 5.150 4.458 5.639 0.139 3 0 "[ . 1 . 2]" 2
1472 2 16 LEU MD2 2 19 ALA H 5.500 . 5.500 4.643 4.104 5.528 0.028 20 0 "[ . 1 . 2]" 2
1473 2 16 LEU MD2 2 19 ALA HA 5.340 . 5.340 4.227 2.115 5.241 . 0 0 "[ . 1 . 2]" 2
1474 2 16 LEU MD2 2 19 ALA MB 5.500 . 5.500 4.926 3.353 5.513 0.013 12 0 "[ . 1 . 2]" 2
1475 2 16 LEU QD 2 17 SER H 3.510 . 3.510 2.378 1.869 3.654 0.144 6 0 "[ . 1 . 2]" 2
1476 2 16 LEU QD 2 17 SER QB 4.700 . 4.700 3.570 3.034 4.784 0.084 6 0 "[ . 1 . 2]" 2
1477 2 16 LEU QD 2 18 LEU H 3.200 . 3.200 2.138 1.693 3.208 0.008 6 0 "[ . 1 . 2]" 2
1478 2 16 LEU QD 2 19 ALA HA 4.680 . 4.680 3.692 2.108 4.376 . 0 0 "[ . 1 . 2]" 2
1479 2 16 LEU QD 2 20 LEU H 4.640 . 4.640 4.060 2.315 4.715 0.075 18 0 "[ . 1 . 2]" 2
1480 2 17 SER H 2 17 SER QB 2.920 . 2.920 2.423 2.343 2.492 . 0 0 "[ . 1 . 2]" 2
1481 2 17 SER H 2 18 LEU H 2.970 . 2.970 2.485 2.119 2.698 . 0 0 "[ . 1 . 2]" 2
1482 2 17 SER H 2 18 LEU HA 5.270 . 5.270 5.141 4.852 5.302 0.032 8 0 "[ . 1 . 2]" 2
1483 2 17 SER H 2 18 LEU QD 4.340 . 4.340 3.879 3.112 4.531 0.191 20 0 "[ . 1 . 2]" 2
1484 2 17 SER HA 2 18 LEU H 3.570 . 3.570 3.457 3.348 3.517 . 0 0 "[ . 1 . 2]" 2
1485 2 17 SER QB 2 18 LEU H 3.160 . 3.160 2.798 2.594 3.149 . 0 0 "[ . 1 . 2]" 2
1486 2 17 SER QB 2 18 LEU QD 3.850 . 3.850 2.566 2.049 3.324 . 0 0 "[ . 1 . 2]" 2
1487 2 18 LEU H 2 18 LEU QB 3.150 . 3.150 2.459 2.344 2.572 . 0 0 "[ . 1 . 2]" 2
1488 2 18 LEU H 2 18 LEU QD 3.340 . 3.340 2.624 1.919 3.324 . 0 0 "[ . 1 . 2]" 2
1489 2 18 LEU H 2 19 ALA MB 4.910 . 4.910 4.889 4.366 5.068 0.158 19 0 "[ . 1 . 2]" 2
1490 2 18 LEU HA 2 18 LEU QD 3.070 . 3.070 2.399 1.938 2.967 . 0 0 "[ . 1 . 2]" 2
1491 2 18 LEU HA 2 19 ALA MB 4.380 . 4.380 4.141 3.928 4.425 0.045 18 0 "[ . 1 . 2]" 2
1492 2 18 LEU QB 2 19 ALA H 3.890 . 3.890 3.733 3.241 3.877 . 0 0 "[ . 1 . 2]" 2
1493 2 19 ALA H 2 19 ALA MB 2.800 . 2.800 2.245 2.203 2.327 . 0 0 "[ . 1 . 2]" 2
1494 2 19 ALA H 2 20 LEU H 4.600 . 4.600 4.442 4.216 4.583 . 0 0 "[ . 1 . 2]" 2
1495 2 19 ALA HA 2 20 LEU H 3.360 . 3.360 2.144 2.091 2.297 . 0 0 "[ . 1 . 2]" 2
1496 2 19 ALA HA 2 20 LEU QD 4.410 . 4.410 4.149 2.973 4.386 . 0 0 "[ . 1 . 2]" 2
1497 2 19 ALA MB 2 20 LEU H 3.420 . 3.420 3.127 2.529 3.442 0.022 7 0 "[ . 1 . 2]" 2
1498 2 19 ALA MB 2 20 LEU HA 4.760 . 4.760 4.456 4.250 4.571 . 0 0 "[ . 1 . 2]" 2
1499 2 19 ALA MB 2 20 LEU HG 4.680 . 4.680 4.220 3.522 4.720 0.040 14 0 "[ . 1 . 2]" 2
1500 2 19 ALA MB 2 20 LEU QD 4.290 . 4.290 4.115 3.252 4.373 0.083 2 0 "[ . 1 . 2]" 2
1501 2 19 ALA MB 2 58 TRP H 5.500 . 5.500 5.503 4.946 5.702 0.202 12 0 "[ . 1 . 2]" 2
1502 2 19 ALA MB 2 58 TRP HA 5.480 . 5.480 5.007 4.232 5.483 0.003 3 0 "[ . 1 . 2]" 2
1503 2 19 ALA MB 2 58 TRP HB2 4.600 . 4.600 3.502 2.961 3.738 . 0 0 "[ . 1 . 2]" 2
1504 2 19 ALA MB 2 58 TRP HB3 4.600 . 4.600 2.994 2.238 3.463 . 0 0 "[ . 1 . 2]" 2
1505 2 19 ALA MB 2 58 TRP HD1 4.590 . 4.590 4.406 3.857 4.653 0.063 4 0 "[ . 1 . 2]" 2
1506 2 19 ALA MB 2 58 TRP QB 3.860 . 3.860 2.826 2.175 3.162 . 0 0 "[ . 1 . 2]" 2
1507 2 20 LEU H 2 20 LEU QD 3.550 . 3.550 2.815 1.654 2.934 . 0 0 "[ . 1 . 2]" 2
1508 2 20 LEU HA 2 20 LEU HG 3.800 . 3.800 3.667 3.615 3.737 . 0 0 "[ . 1 . 2]" 2
1509 2 20 LEU HA 2 20 LEU QD 3.460 . 3.460 3.434 3.403 3.457 . 0 0 "[ . 1 . 2]" 2
1510 2 20 LEU QB 2 24 HIS H 4.810 . 4.810 4.563 4.269 4.829 0.019 1 0 "[ . 1 . 2]" 2
1511 2 20 LEU QB 2 25 VAL H 5.300 . 5.300 5.020 4.702 5.306 0.006 1 0 "[ . 1 . 2]" 2
1512 2 20 LEU QD 2 21 PRO HA 5.500 . 5.500 4.311 3.996 4.906 . 0 0 "[ . 1 . 2]" 2
1513 2 20 LEU QD 2 42 PHE HA 5.500 . 5.500 5.309 4.800 5.573 0.073 16 0 "[ . 1 . 2]" 2
1514 2 20 LEU QD 2 42 PHE HB2 4.350 . 4.350 3.613 2.917 3.952 . 0 0 "[ . 1 . 2]" 2
1515 2 20 LEU QD 2 42 PHE HB3 3.970 . 3.970 3.372 2.878 3.636 . 0 0 "[ . 1 . 2]" 2
1516 2 20 LEU QD 2 44 THR H 5.500 . 5.500 4.493 4.181 4.911 . 0 0 "[ . 1 . 2]" 2
1517 2 20 LEU QD 2 44 THR MG 2.860 . 2.860 1.988 1.873 2.324 . 0 0 "[ . 1 . 2]" 2
1518 2 20 LEU QD 2 45 ARG H 5.500 . 5.500 4.465 4.136 4.887 . 0 0 "[ . 1 . 2]" 2
1519 2 20 LEU QD 2 50 VAL H 5.500 . 5.500 5.004 4.564 5.505 0.005 13 0 "[ . 1 . 2]" 2
1520 2 20 LEU QD 2 50 VAL HB 4.350 . 4.350 3.561 3.108 4.004 . 0 0 "[ . 1 . 2]" 2
1521 2 21 PRO HA 2 22 ARG H 2.900 . 2.900 2.280 2.175 2.357 . 0 0 "[ . 1 . 2]" 2
1522 2 21 PRO HA 2 22 ARG HA 4.330 . 4.330 4.309 4.281 4.336 0.006 12 0 "[ . 1 . 2]" 2
1523 2 21 PRO HA 2 22 ARG QB 5.120 . 5.120 4.523 4.267 4.692 . 0 0 "[ . 1 . 2]" 2
1524 2 21 PRO HA 2 22 ARG QG 5.340 . 5.340 3.849 3.555 4.505 . 0 0 "[ . 1 . 2]" 2
1525 2 21 PRO HA 2 24 HIS QB 4.970 . 4.970 4.721 4.455 4.908 . 0 0 "[ . 1 . 2]" 2
1526 2 21 PRO HB2 2 22 ARG H 3.980 . 3.980 2.966 2.618 3.392 . 0 0 "[ . 1 . 2]" 2
1527 2 21 PRO HB2 2 23 ALA H 3.810 . 3.810 2.464 2.239 2.738 . 0 0 "[ . 1 . 2]" 2
1528 2 21 PRO HB2 2 23 ALA MB 4.020 . 4.020 2.940 2.765 3.223 . 0 0 "[ . 1 . 2]" 2
1529 2 21 PRO HB2 2 24 HIS H 3.680 . 3.680 3.257 2.598 3.516 . 0 0 "[ . 1 . 2]" 2
1530 2 21 PRO HB2 2 24 HIS QB 4.240 . 4.240 3.915 2.817 4.229 . 0 0 "[ . 1 . 2]" 2
1531 2 21 PRO HB3 2 22 ARG H 3.860 . 3.860 3.411 3.064 3.539 . 0 0 "[ . 1 . 2]" 2
1532 2 21 PRO HB3 2 23 ALA H 4.320 . 4.320 3.960 3.317 4.185 . 0 0 "[ . 1 . 2]" 2
1533 2 21 PRO HB3 2 23 ALA MB 4.680 . 4.680 4.287 3.606 4.647 . 0 0 "[ . 1 . 2]" 2
1534 2 21 PRO HB3 2 24 HIS H 4.910 . 4.910 4.824 4.169 4.964 0.054 18 0 "[ . 1 . 2]" 2
1535 2 21 PRO HB3 2 24 HIS QB 4.970 . 4.970 4.928 4.347 5.054 0.084 13 0 "[ . 1 . 2]" 2
1536 2 21 PRO QG 2 22 ARG H 4.580 . 4.580 4.436 4.172 4.663 0.083 1 0 "[ . 1 . 2]" 2
1537 2 21 PRO QG 2 23 ALA MB 3.940 . 3.940 3.497 2.987 4.059 0.119 12 0 "[ . 1 . 2]" 2
1538 2 21 PRO QG 2 24 HIS H 4.700 . 4.700 3.314 2.832 4.261 . 0 0 "[ . 1 . 2]" 2
1539 2 21 PRO QG 2 24 HIS QB 3.270 . 3.270 2.713 2.129 3.321 0.051 20 0 "[ . 1 . 2]" 2
1540 2 22 ARG H 2 22 ARG HB2 3.650 . 3.650 2.461 2.212 2.707 . 0 0 "[ . 1 . 2]" 2
1541 2 22 ARG H 2 22 ARG HB3 3.650 . 3.650 3.579 3.512 3.620 . 0 0 "[ . 1 . 2]" 2
1542 2 22 ARG H 2 22 ARG HE 4.600 . 4.600 3.415 2.175 4.239 . 0 0 "[ . 1 . 2]" 2
1543 2 22 ARG H 2 22 ARG HG2 4.190 . 4.190 3.555 3.125 4.222 0.032 17 0 "[ . 1 . 2]" 2
1544 2 22 ARG H 2 22 ARG HG3 4.190 . 4.190 2.313 1.867 3.050 . 0 0 "[ . 1 . 2]" 2
1545 2 22 ARG H 2 22 ARG QB 2.990 . 2.990 2.418 2.190 2.633 . 0 0 "[ . 1 . 2]" 2
1546 2 22 ARG H 2 22 ARG QD 4.710 . 4.710 4.090 3.776 4.239 . 0 0 "[ . 1 . 2]" 2
1547 2 22 ARG H 2 22 ARG QG 3.540 . 3.540 2.284 1.856 2.983 . 0 0 "[ . 1 . 2]" 2
1548 2 22 ARG H 2 25 VAL MG1 5.410 . 5.410 4.482 4.316 4.893 . 0 0 "[ . 1 . 2]" 2
1549 2 22 ARG H 2 62 TYR QE 4.220 . 4.220 2.784 2.374 3.232 . 0 0 "[ . 1 . 2]" 2
1550 2 22 ARG HA 2 22 ARG HE 5.010 . 5.010 4.643 3.758 4.910 . 0 0 "[ . 1 . 2]" 2
1551 2 22 ARG HA 2 22 ARG HG2 3.800 . 3.800 2.638 2.523 3.015 . 0 0 "[ . 1 . 2]" 2
1552 2 22 ARG HA 2 22 ARG HG3 3.800 . 3.800 2.920 2.272 3.280 . 0 0 "[ . 1 . 2]" 2
1553 2 22 ARG HA 2 22 ARG QD 4.530 . 4.530 4.073 3.967 4.176 . 0 0 "[ . 1 . 2]" 2
1554 2 22 ARG HA 2 22 ARG QG 3.310 . 3.310 2.425 2.210 2.574 . 0 0 "[ . 1 . 2]" 2
1555 2 22 ARG HA 2 23 ALA H 3.550 . 3.550 3.465 3.410 3.513 . 0 0 "[ . 1 . 2]" 2
1556 2 22 ARG HA 2 23 ALA HA 4.920 . 4.920 4.761 4.698 4.802 . 0 0 "[ . 1 . 2]" 2
1557 2 22 ARG HA 2 24 HIS H 4.790 . 4.790 3.675 3.516 3.874 . 0 0 "[ . 1 . 2]" 2
1558 2 22 ARG HA 2 25 VAL H 3.710 . 3.710 3.187 2.985 3.461 . 0 0 "[ . 1 . 2]" 2
1559 2 22 ARG HA 2 25 VAL HB 4.060 . 4.060 3.383 2.953 3.780 . 0 0 "[ . 1 . 2]" 2
1560 2 22 ARG HA 2 25 VAL MG1 3.190 . 3.190 2.070 1.922 2.500 . 0 0 "[ . 1 . 2]" 2
1561 2 22 ARG HA 2 25 VAL MG2 4.860 . 4.860 4.443 4.180 4.759 . 0 0 "[ . 1 . 2]" 2
1562 2 22 ARG HA 2 62 TYR QE 3.840 . 3.840 2.732 2.339 3.435 . 0 0 "[ . 1 . 2]" 2
1563 2 22 ARG HB2 2 22 ARG HE 4.360 . 4.360 2.267 1.863 2.643 . 0 0 "[ . 1 . 2]" 2
1564 2 22 ARG HB2 2 23 ALA H 4.360 . 4.360 2.913 2.551 3.133 . 0 0 "[ . 1 . 2]" 2
1565 2 22 ARG HB2 2 62 TYR QE 5.060 . 5.060 4.330 3.849 4.816 . 0 0 "[ . 1 . 2]" 2
1566 2 22 ARG HB3 2 22 ARG HE 4.360 . 4.360 3.420 2.582 3.895 . 0 0 "[ . 1 . 2]" 2
1567 2 22 ARG HB3 2 23 ALA H 4.360 . 4.360 3.794 3.561 4.052 . 0 0 "[ . 1 . 2]" 2
1568 2 22 ARG HB3 2 62 TYR QE 5.060 . 5.060 4.523 4.097 5.020 . 0 0 "[ . 1 . 2]" 2
1569 2 22 ARG HD2 2 62 TYR HA 5.150 . 5.150 4.399 3.247 5.108 . 0 0 "[ . 1 . 2]" 2
1570 2 22 ARG HD2 2 65 TYR HB3 4.990 . 4.990 2.915 2.096 3.966 . 0 0 "[ . 1 . 2]" 2
1571 2 22 ARG HD3 2 62 TYR HA 5.150 . 5.150 3.618 2.855 4.864 . 0 0 "[ . 1 . 2]" 2
1572 2 22 ARG HD3 2 65 TYR HB3 4.990 . 4.990 3.272 2.042 4.863 . 0 0 "[ . 1 . 2]" 2
1573 2 22 ARG HE 2 23 ALA H 4.880 . 4.880 4.729 3.768 4.989 0.109 9 0 "[ . 1 . 2]" 2
1574 2 22 ARG HE 2 22 ARG HG2 4.050 . 4.050 3.628 3.550 3.792 . 0 0 "[ . 1 . 2]" 2
1575 2 22 ARG HE 2 22 ARG HG3 4.050 . 4.050 2.642 2.291 3.155 . 0 0 "[ . 1 . 2]" 2
1576 2 22 ARG QB 2 22 ARG HE 3.580 . 3.580 2.235 1.846 2.603 . 0 0 "[ . 1 . 2]" 2
1577 2 22 ARG QB 2 23 ALA H 3.710 . 3.710 2.820 2.510 2.986 . 0 0 "[ . 1 . 2]" 2
1578 2 22 ARG QB 2 23 ALA HA 4.500 . 4.500 3.935 3.771 4.018 . 0 0 "[ . 1 . 2]" 2
1579 2 22 ARG QD 2 62 TYR HA 4.390 . 4.390 3.389 2.780 4.285 . 0 0 "[ . 1 . 2]" 2
1580 2 22 ARG QD 2 62 TYR QD 4.190 . 4.190 3.927 3.467 4.258 0.068 19 0 "[ . 1 . 2]" 2
1581 2 22 ARG QD 2 62 TYR QE 5.340 . 5.340 4.056 3.424 4.549 . 0 0 "[ . 1 . 2]" 2
1582 2 22 ARG QD 2 65 TYR HB2 4.320 . 4.320 2.844 2.288 3.427 . 0 0 "[ . 1 . 2]" 2
1583 2 22 ARG QD 2 65 TYR HB3 4.290 . 4.290 2.643 1.958 3.527 . 0 0 "[ . 1 . 2]" 2
1584 2 22 ARG HE 2 22 ARG QG 3.400 . 3.400 2.570 2.264 3.003 . 0 0 "[ . 1 . 2]" 2
1585 2 22 ARG QG 2 23 ALA H 4.940 . 4.940 4.195 3.828 4.551 . 0 0 "[ . 1 . 2]" 2
1586 2 22 ARG QG 2 62 TYR H 5.340 . 5.340 5.326 4.589 5.545 0.205 15 0 "[ . 1 . 2]" 2
1587 2 23 ALA H 2 23 ALA HA 2.920 . 2.920 2.839 2.814 2.870 . 0 0 "[ . 1 . 2]" 2
1588 2 23 ALA H 2 23 ALA MB 2.500 . 2.500 2.244 2.216 2.265 . 0 0 "[ . 1 . 2]" 2
1589 2 23 ALA H 2 24 HIS H 3.140 . 3.140 2.582 2.496 2.672 . 0 0 "[ . 1 . 2]" 2
1590 2 23 ALA H 2 24 HIS HA 5.320 . 5.320 5.174 5.072 5.249 . 0 0 "[ . 1 . 2]" 2
1591 2 23 ALA H 2 24 HIS HD2 5.360 . 5.360 4.214 3.819 5.108 . 0 0 "[ . 1 . 2]" 2
1592 2 23 ALA H 2 25 VAL H 4.210 . 4.210 4.025 3.947 4.180 . 0 0 "[ . 1 . 2]" 2
1593 2 23 ALA H 2 25 VAL MG1 5.500 . 5.500 4.478 4.348 4.705 . 0 0 "[ . 1 . 2]" 2
1594 2 23 ALA H 2 62 TYR QE 5.000 . 5.000 4.835 4.525 5.370 0.370 7 0 "[ . 1 . 2]" 2
1595 2 23 ALA HA 2 24 HIS H 3.520 . 3.520 3.412 3.352 3.471 . 0 0 "[ . 1 . 2]" 2
1596 2 23 ALA HA 2 25 VAL H 4.120 . 4.120 4.025 3.751 4.180 0.060 19 0 "[ . 1 . 2]" 2
1597 2 23 ALA HA 2 25 VAL MG1 4.770 . 4.770 4.573 4.432 4.713 . 0 0 "[ . 1 . 2]" 2
1598 2 23 ALA MB 2 24 HIS H 3.210 . 3.210 3.029 2.870 3.163 . 0 0 "[ . 1 . 2]" 2
1599 2 23 ALA MB 2 24 HIS HA 4.200 . 4.200 3.997 3.922 4.047 . 0 0 "[ . 1 . 2]" 2
1600 2 23 ALA MB 2 24 HIS HD2 3.720 . 3.720 2.547 2.176 3.055 . 0 0 "[ . 1 . 2]" 2
1601 2 23 ALA MB 2 24 HIS QB 4.390 . 4.390 4.232 4.090 4.332 . 0 0 "[ . 1 . 2]" 2
1602 2 23 ALA MB 2 25 VAL H 4.740 . 4.740 4.520 4.400 4.638 . 0 0 "[ . 1 . 2]" 2
1603 2 24 HIS H 2 24 HIS HB2 3.390 . 3.390 2.311 2.272 2.364 . 0 0 "[ . 1 . 2]" 2
1604 2 24 HIS H 2 24 HIS HB3 3.390 . 3.390 3.556 3.521 3.587 0.197 9 0 "[ . 1 . 2]" 2
1605 2 24 HIS H 2 24 HIS HD2 4.020 . 4.020 3.090 2.763 3.621 . 0 0 "[ . 1 . 2]" 2
1606 2 24 HIS H 2 24 HIS QB 2.870 . 2.870 2.283 2.247 2.333 . 0 0 "[ . 1 . 2]" 2
1607 2 24 HIS H 2 25 VAL H 2.980 . 2.980 2.190 2.058 2.291 . 0 0 "[ . 1 . 2]" 2
1608 2 24 HIS H 2 25 VAL HB 4.580 . 4.580 4.307 4.182 4.540 . 0 0 "[ . 1 . 2]" 2
1609 2 24 HIS H 2 25 VAL MG1 4.290 . 4.290 3.882 3.741 4.048 . 0 0 "[ . 1 . 2]" 2
1610 2 24 HIS HA 2 44 THR HA 5.500 . 5.500 5.216 4.953 5.385 . 0 0 "[ . 1 . 2]" 2
1611 2 24 HIS HA 2 44 THR HB 4.890 . 4.890 4.824 4.581 4.997 0.107 16 0 "[ . 1 . 2]" 2
1612 2 24 HIS HA 2 45 ARG H 4.450 . 4.450 3.809 3.644 3.966 . 0 0 "[ . 1 . 2]" 2
1613 2 24 HIS HA 2 45 ARG QB 5.120 . 5.120 3.605 3.141 3.868 . 0 0 "[ . 1 . 2]" 2
1614 2 24 HIS HB2 2 25 VAL H 4.100 . 4.100 3.334 3.173 3.613 . 0 0 "[ . 1 . 2]" 2
1615 2 24 HIS HB3 2 25 VAL H 4.100 . 4.100 3.935 3.746 4.092 . 0 0 "[ . 1 . 2]" 2
1616 2 24 HIS HD2 2 25 VAL H 5.500 . 5.500 4.993 4.807 5.274 . 0 0 "[ . 1 . 2]" 2
1617 2 24 HIS QB 2 44 THR HB 4.780 . 4.780 3.873 3.682 4.117 . 0 0 "[ . 1 . 2]" 2
1618 2 24 HIS QB 2 45 ARG H 5.340 . 5.340 4.102 3.909 4.242 . 0 0 "[ . 1 . 2]" 2
1619 2 25 VAL H 2 25 VAL HB 2.980 . 2.980 2.648 2.542 2.832 . 0 0 "[ . 1 . 2]" 2
1620 2 25 VAL H 2 25 VAL MG1 2.890 . 2.890 2.348 2.264 2.472 . 0 0 "[ . 1 . 2]" 2
1621 2 25 VAL H 2 25 VAL MG2 4.000 . 4.000 3.841 3.807 3.901 . 0 0 "[ . 1 . 2]" 2
1622 2 25 VAL H 2 26 LYS H 4.720 . 4.720 4.536 4.449 4.567 . 0 0 "[ . 1 . 2]" 2
1623 2 25 VAL H 2 44 THR HA 5.280 . 5.280 4.662 4.579 4.780 . 0 0 "[ . 1 . 2]" 2
1624 2 25 VAL H 2 45 ARG QG 5.500 . 5.500 3.771 3.324 4.110 . 0 0 "[ . 1 . 2]" 2
1625 2 25 VAL H 2 62 TYR QD 5.500 . 5.500 5.406 5.120 5.649 0.149 7 0 "[ . 1 . 2]" 2
1626 2 25 VAL H 2 62 TYR QE 5.500 . 5.500 4.971 4.569 5.474 . 0 0 "[ . 1 . 2]" 2
1627 2 25 VAL HA 2 25 VAL MG1 3.230 . 3.230 3.207 3.195 3.219 . 0 0 "[ . 1 . 2]" 2
1628 2 25 VAL HA 2 25 VAL MG2 3.380 . 3.380 2.239 2.214 2.263 . 0 0 "[ . 1 . 2]" 2
1629 2 25 VAL HA 2 26 LYS H 3.060 . 3.060 2.280 2.226 2.354 . 0 0 "[ . 1 . 2]" 2
1630 2 25 VAL HA 2 27 GLU H 4.230 . 4.230 4.145 3.894 4.291 0.061 8 0 "[ . 1 . 2]" 2
1631 2 25 VAL HA 2 44 THR HA 3.580 . 3.580 1.946 1.785 2.122 . 0 0 "[ . 1 . 2]" 2
1632 2 25 VAL HA 2 44 THR HB 4.270 . 4.270 3.868 3.611 4.098 . 0 0 "[ . 1 . 2]" 2
1633 2 25 VAL HA 2 44 THR MG 4.080 . 4.080 3.162 2.717 3.426 . 0 0 "[ . 1 . 2]" 2
1634 2 25 VAL HA 2 45 ARG H 4.780 . 4.780 3.322 3.051 3.668 . 0 0 "[ . 1 . 2]" 2
1635 2 25 VAL HB 2 26 LYS H 4.300 . 4.300 4.104 4.033 4.184 . 0 0 "[ . 1 . 2]" 2
1636 2 25 VAL HB 2 42 PHE HB3 4.550 . 4.550 4.078 3.815 4.356 . 0 0 "[ . 1 . 2]" 2
1637 2 25 VAL MG1 2 26 LYS H 3.750 . 3.750 3.308 3.030 3.487 . 0 0 "[ . 1 . 2]" 2
1638 2 25 VAL MG1 2 26 LYS HA 3.780 . 3.780 3.708 3.441 3.838 0.058 7 0 "[ . 1 . 2]" 2
1639 2 25 VAL MG1 2 27 GLU H 3.870 . 3.870 3.683 3.475 3.870 . 0 0 "[ . 1 . 2]" 2
1640 2 25 VAL MG1 2 27 GLU HA 4.010 . 4.010 3.983 3.714 4.154 0.144 14 0 "[ . 1 . 2]" 2
1641 2 25 VAL MG1 2 27 GLU QG 5.500 . 5.500 5.484 5.374 5.642 0.142 8 0 "[ . 1 . 2]" 2
1642 2 25 VAL MG1 2 28 TYR HB3 4.840 . 4.840 4.867 4.628 5.000 0.160 11 0 "[ . 1 . 2]" 2
1643 2 25 VAL MG1 2 42 PHE HA 5.500 . 5.500 5.486 5.354 5.566 0.066 12 0 "[ . 1 . 2]" 2
1644 2 25 VAL MG1 2 42 PHE HB3 4.700 . 4.700 4.337 4.176 4.529 . 0 0 "[ . 1 . 2]" 2
1645 2 25 VAL MG1 2 42 PHE QD 4.840 . 4.840 3.596 3.418 3.742 . 0 0 "[ . 1 . 2]" 2
1646 2 25 VAL MG1 2 43 VAL H 5.390 . 5.390 5.243 5.085 5.382 . 0 0 "[ . 1 . 2]" 2
1647 2 25 VAL MG1 2 44 THR HA 5.050 . 5.050 4.716 4.533 4.920 . 0 0 "[ . 1 . 2]" 2
1648 2 25 VAL MG1 2 62 TYR QD 3.270 . 3.270 2.698 2.261 3.344 0.074 7 0 "[ . 1 . 2]" 2
1649 2 25 VAL MG1 2 66 LEU HB2 4.550 . 4.550 4.379 3.024 4.747 0.197 18 0 "[ . 1 . 2]" 2
1650 2 25 VAL MG1 2 66 LEU HB3 4.550 . 4.550 4.223 2.905 4.580 0.030 7 0 "[ . 1 . 2]" 2
1651 2 25 VAL MG1 2 66 LEU QB 3.970 . 3.970 3.812 2.657 4.108 0.138 14 0 "[ . 1 . 2]" 2
1652 2 25 VAL MG2 2 26 LYS H 3.400 . 3.400 2.151 1.974 2.286 . 0 0 "[ . 1 . 2]" 2
1653 2 25 VAL MG2 2 26 LYS HA 4.530 . 4.530 4.162 4.102 4.299 . 0 0 "[ . 1 . 2]" 2
1654 2 25 VAL MG2 2 27 GLU H 2.970 . 2.970 2.350 2.088 2.584 . 0 0 "[ . 1 . 2]" 2
1655 2 25 VAL MG2 2 27 GLU HA 4.230 . 4.230 3.806 3.654 3.982 . 0 0 "[ . 1 . 2]" 2
1656 2 25 VAL MG2 2 28 TYR HA 4.640 . 4.640 4.179 3.908 4.558 . 0 0 "[ . 1 . 2]" 2
1657 2 25 VAL MG2 2 28 TYR HB2 5.350 . 5.350 5.046 4.899 5.294 . 0 0 "[ . 1 . 2]" 2
1658 2 25 VAL MG2 2 42 PHE HA 4.000 . 4.000 3.405 3.279 3.514 . 0 0 "[ . 1 . 2]" 2
1659 2 25 VAL MG2 2 42 PHE HB2 3.640 . 3.640 3.373 3.252 3.583 . 0 0 "[ . 1 . 2]" 2
1660 2 25 VAL MG2 2 42 PHE HB3 3.550 . 3.550 2.005 1.889 2.163 . 0 0 "[ . 1 . 2]" 2
1661 2 25 VAL MG2 2 42 PHE QD 3.410 . 3.410 2.085 1.909 2.287 . 0 0 "[ . 1 . 2]" 2
1662 2 25 VAL MG2 2 42 PHE QE 4.380 . 4.380 3.805 3.570 4.045 . 0 0 "[ . 1 . 2]" 2
1663 2 25 VAL MG2 2 43 VAL H 3.920 . 3.920 3.084 2.940 3.347 . 0 0 "[ . 1 . 2]" 2
1664 2 25 VAL MG2 2 44 THR HA 4.140 . 4.140 2.982 2.715 3.212 . 0 0 "[ . 1 . 2]" 2
1665 2 25 VAL MG2 2 44 THR MG 3.490 . 3.490 3.239 2.937 3.521 0.031 6 0 "[ . 1 . 2]" 2
1666 2 25 VAL MG2 2 45 ARG H 5.500 . 5.500 4.852 4.608 5.129 . 0 0 "[ . 1 . 2]" 2
1667 2 25 VAL MG2 2 62 TYR QD 3.980 . 3.980 3.780 3.319 4.146 0.166 2 0 "[ . 1 . 2]" 2
1668 2 26 LYS H 2 26 LYS QG 4.090 . 4.090 4.036 3.988 4.074 . 0 0 "[ . 1 . 2]" 2
1669 2 26 LYS H 2 27 GLU H 2.910 . 2.910 2.070 1.973 2.182 . 0 0 "[ . 1 . 2]" 2
1670 2 26 LYS H 2 27 GLU HA 4.920 . 4.920 4.571 4.452 4.646 . 0 0 "[ . 1 . 2]" 2
1671 2 26 LYS H 2 43 VAL H 4.010 . 4.010 4.047 3.898 4.126 0.116 1 0 "[ . 1 . 2]" 2
1672 2 26 LYS H 2 43 VAL HB 4.350 . 4.350 4.002 3.684 4.274 . 0 0 "[ . 1 . 2]" 2
1673 2 26 LYS H 2 43 VAL MG1 4.490 . 4.490 4.082 3.826 4.332 . 0 0 "[ . 1 . 2]" 2
1674 2 26 LYS H 2 44 THR HA 3.540 . 3.540 2.727 2.459 2.891 . 0 0 "[ . 1 . 2]" 2
1675 2 26 LYS H 2 44 THR HB 5.210 . 5.210 5.099 4.852 5.258 0.048 15 0 "[ . 1 . 2]" 2
1676 2 26 LYS H 2 44 THR MG 4.920 . 4.920 4.426 4.133 4.593 . 0 0 "[ . 1 . 2]" 2
1677 2 26 LYS H 2 45 ARG H 4.790 . 4.790 4.158 3.811 4.500 . 0 0 "[ . 1 . 2]" 2
1678 2 26 LYS HA 2 26 LYS QG 3.540 . 3.540 2.415 2.299 2.488 . 0 0 "[ . 1 . 2]" 2
1679 2 26 LYS HA 2 44 THR HA 5.500 . 5.500 5.130 4.865 5.393 . 0 0 "[ . 1 . 2]" 2
1680 2 26 LYS HA 2 45 ARG HA 5.500 . 5.500 4.549 4.047 4.870 . 0 0 "[ . 1 . 2]" 2
1681 2 26 LYS HA 2 45 ARG HE 5.190 . 5.190 3.984 2.328 5.289 0.099 18 0 "[ . 1 . 2]" 2
1682 2 26 LYS HA 2 45 ARG QD 3.560 . 3.560 2.824 2.212 3.314 . 0 0 "[ . 1 . 2]" 2
1683 2 26 LYS HE2 2 43 VAL MG1 3.600 . 3.600 3.050 2.209 3.588 . 0 0 "[ . 1 . 2]" 2
1684 2 26 LYS HE2 2 45 ARG HA 4.750 . 4.750 3.963 3.157 4.687 . 0 0 "[ . 1 . 2]" 2
1685 2 26 LYS HE3 2 43 VAL MG1 3.600 . 3.600 2.375 2.033 3.052 . 0 0 "[ . 1 . 2]" 2
1686 2 26 LYS HE3 2 45 ARG HA 4.750 . 4.750 4.121 3.409 4.898 0.148 5 0 "[ . 1 . 2]" 2
1687 2 26 LYS QB 2 43 VAL MG1 3.900 . 3.900 2.785 2.530 3.125 . 0 0 "[ . 1 . 2]" 2
1688 2 26 LYS QB 2 44 THR H 5.080 . 5.080 4.626 4.464 4.883 . 0 0 "[ . 1 . 2]" 2
1689 2 26 LYS QB 2 44 THR HA 4.540 . 4.540 3.699 3.445 3.993 . 0 0 "[ . 1 . 2]" 2
1690 2 26 LYS QD 2 45 ARG HA 3.530 . 3.530 2.819 2.500 3.344 . 0 0 "[ . 1 . 2]" 2
1691 2 26 LYS QE 2 45 ARG HA 3.950 . 3.950 3.487 3.119 3.993 0.043 18 0 "[ . 1 . 2]" 2
1692 2 26 LYS QE 2 46 ARG H 5.340 . 5.340 5.305 5.079 5.411 0.071 15 0 "[ . 1 . 2]" 2
1693 2 26 LYS HE2 2 26 LYS QG 3.920 . 3.920 3.402 3.032 3.530 . 0 0 "[ . 1 . 2]" 2
1694 2 26 LYS HE3 2 26 LYS QG 3.920 . 3.920 2.707 2.393 2.955 . 0 0 "[ . 1 . 2]" 2
1695 2 26 LYS QE 2 26 LYS QG 3.410 . 3.410 2.606 2.321 2.811 . 0 0 "[ . 1 . 2]" 2
1696 2 26 LYS QG 2 27 GLU H 4.120 . 4.120 3.730 3.390 3.934 . 0 0 "[ . 1 . 2]" 2
1697 2 26 LYS QG 2 27 GLU HA 4.950 . 4.950 4.549 4.216 4.794 . 0 0 "[ . 1 . 2]" 2
1698 2 26 LYS QG 2 27 GLU QG 4.840 . 4.840 3.257 2.663 4.175 . 0 0 "[ . 1 . 2]" 2
1699 2 26 LYS QG 2 45 ARG HA 4.400 . 4.400 4.117 3.778 4.400 . 14 0 "[ . 1 . 2]" 2
1700 2 26 LYS QG 2 45 ARG HE 4.980 . 4.980 4.328 3.658 5.005 0.025 7 0 "[ . 1 . 2]" 2
1701 2 26 LYS QG 2 45 ARG QD 4.070 . 4.070 3.047 2.643 3.689 . 0 0 "[ . 1 . 2]" 2
1702 2 27 GLU H 2 27 GLU QB 3.520 . 3.520 3.265 3.209 3.355 . 0 0 "[ . 1 . 2]" 2
1703 2 27 GLU H 2 27 GLU QG 3.300 . 3.300 2.612 2.486 2.877 . 0 0 "[ . 1 . 2]" 2
1704 2 27 GLU H 2 28 TYR H 4.400 . 4.400 4.345 4.323 4.375 . 0 0 "[ . 1 . 2]" 2
1705 2 27 GLU H 2 42 PHE HA 4.970 . 4.970 4.615 4.420 4.766 . 0 0 "[ . 1 . 2]" 2
1706 2 27 GLU H 2 43 VAL H 3.540 . 3.540 3.052 2.893 3.155 . 0 0 "[ . 1 . 2]" 2
1707 2 27 GLU H 2 43 VAL HA 5.500 . 5.500 4.869 4.755 5.025 . 0 0 "[ . 1 . 2]" 2
1708 2 27 GLU H 2 43 VAL HB 3.370 . 3.370 2.952 2.519 3.193 . 0 0 "[ . 1 . 2]" 2
1709 2 27 GLU H 2 43 VAL MG1 4.220 . 4.220 4.005 3.763 4.230 0.010 10 0 "[ . 1 . 2]" 2
1710 2 27 GLU H 2 43 VAL MG2 4.530 . 4.530 4.263 3.885 4.534 0.004 9 0 "[ . 1 . 2]" 2
1711 2 27 GLU H 2 44 THR HA 4.740 . 4.740 4.479 4.226 4.677 . 0 0 "[ . 1 . 2]" 2
1712 2 27 GLU HA 2 27 GLU QG 3.460 . 3.460 3.342 3.317 3.420 . 0 0 "[ . 1 . 2]" 2
1713 2 27 GLU HA 2 28 TYR H 2.920 . 2.920 2.563 2.499 2.682 . 0 0 "[ . 1 . 2]" 2
1714 2 27 GLU HA 2 28 TYR QD 4.320 . 4.320 3.467 3.338 3.916 . 0 0 "[ . 1 . 2]" 2
1715 2 27 GLU HA 2 43 VAL H 5.460 . 5.460 4.800 4.735 4.887 . 0 0 "[ . 1 . 2]" 2
1716 2 27 GLU HA 2 43 VAL HB 5.170 . 5.170 4.983 4.808 5.091 . 0 0 "[ . 1 . 2]" 2
1717 2 27 GLU HA 2 66 LEU QB 4.300 . 4.300 3.201 2.656 4.458 0.158 13 0 "[ . 1 . 2]" 2
1718 2 27 GLU QB 2 28 TYR H 3.240 . 3.240 2.118 1.947 2.269 . 0 0 "[ . 1 . 2]" 2
1719 2 27 GLU QB 2 42 PHE HA 5.700 . 5.700 5.632 5.463 5.724 0.024 7 0 "[ . 1 . 2]" 2
1720 2 27 GLU QB 2 43 VAL H 4.750 . 4.750 4.678 4.543 4.784 0.034 13 0 "[ . 1 . 2]" 2
1721 2 27 GLU QB 2 43 VAL MG1 4.630 . 4.630 4.764 4.666 4.925 0.295 4 0 "[ . 1 . 2]" 2
1722 2 27 GLU QG 2 28 TYR H 3.110 . 3.110 3.168 3.001 3.213 0.103 7 0 "[ . 1 . 2]" 2
1723 2 27 GLU QG 2 43 VAL H 4.060 . 4.060 3.180 2.991 3.354 . 0 0 "[ . 1 . 2]" 2
1724 2 27 GLU QG 2 43 VAL HB 3.780 . 3.780 1.984 1.862 2.267 . 0 0 "[ . 1 . 2]" 2
1725 2 27 GLU QG 2 43 VAL MG1 3.580 . 3.580 3.099 2.937 3.562 . 0 0 "[ . 1 . 2]" 2
1726 2 27 GLU QG 2 43 VAL MG2 3.320 . 3.320 2.576 2.338 2.918 . 0 0 "[ . 1 . 2]" 2
1727 2 28 TYR H 2 28 TYR HB3 3.940 . 3.940 3.097 2.991 3.165 . 0 0 "[ . 1 . 2]" 2
1728 2 28 TYR H 2 28 TYR QD 3.210 . 3.210 2.467 2.266 2.833 . 0 0 "[ . 1 . 2]" 2
1729 2 28 TYR H 2 29 PHE H 4.530 . 4.530 4.412 4.294 4.466 . 0 0 "[ . 1 . 2]" 2
1730 2 28 TYR H 2 29 PHE HA 5.020 . 5.020 4.865 4.712 4.965 . 0 0 "[ . 1 . 2]" 2
1731 2 28 TYR H 2 29 PHE HB2 5.000 . 5.000 4.892 4.704 5.301 0.301 4 0 "[ . 1 . 2]" 2
1732 2 28 TYR H 2 42 PHE HA 5.090 . 5.090 4.804 4.636 4.915 . 0 0 "[ . 1 . 2]" 2
1733 2 28 TYR H 2 42 PHE QD 4.820 . 4.820 4.804 4.701 4.872 0.052 20 0 "[ . 1 . 2]" 2
1734 2 28 TYR H 2 42 PHE QE 5.500 . 5.500 5.518 5.381 5.564 0.064 4 0 "[ . 1 . 2]" 2
1735 2 28 TYR H 2 43 VAL HB 5.500 . 5.500 5.265 5.102 5.496 . 0 0 "[ . 1 . 2]" 2
1736 2 28 TYR H 2 66 LEU QB 5.340 . 5.340 3.987 3.320 5.402 0.062 15 0 "[ . 1 . 2]" 2
1737 2 28 TYR HA 2 28 TYR QD 4.290 . 4.290 3.757 3.744 3.770 . 0 0 "[ . 1 . 2]" 2
1738 2 28 TYR HA 2 29 PHE H 3.120 . 3.120 2.403 2.284 2.526 . 0 0 "[ . 1 . 2]" 2
1739 2 28 TYR HA 2 40 VAL QG 4.770 . 4.770 4.348 3.450 4.874 0.104 3 0 "[ . 1 . 2]" 2
1740 2 28 TYR HA 2 42 PHE HA 3.960 . 3.960 2.156 1.996 2.278 . 0 0 "[ . 1 . 2]" 2
1741 2 28 TYR HA 2 42 PHE QD 4.420 . 4.420 3.318 3.002 3.637 . 0 0 "[ . 1 . 2]" 2
1742 2 28 TYR HA 2 42 PHE QE 4.760 . 4.760 4.507 4.228 4.743 . 0 0 "[ . 1 . 2]" 2
1743 2 28 TYR HA 2 43 VAL H 3.960 . 3.960 3.000 2.840 3.180 . 0 0 "[ . 1 . 2]" 2
1744 2 28 TYR HA 2 43 VAL MG2 4.950 . 4.950 3.736 3.449 4.267 . 0 0 "[ . 1 . 2]" 2
1745 2 28 TYR HA 2 63 ILE QG 5.500 . 5.500 5.330 4.918 5.596 0.096 2 0 "[ . 1 . 2]" 2
1746 2 28 TYR HB2 2 29 PHE H 3.490 . 3.490 2.557 2.323 2.761 . 0 0 "[ . 1 . 2]" 2
1747 2 28 TYR HB2 2 40 VAL HB 5.500 . 5.500 3.718 2.786 4.877 . 0 0 "[ . 1 . 2]" 2
1748 2 28 TYR HB2 2 40 VAL QG 3.740 . 3.740 3.015 2.202 3.535 . 0 0 "[ . 1 . 2]" 2
1749 2 28 TYR HB2 2 42 PHE HA 4.730 . 4.730 3.680 3.441 4.046 . 0 0 "[ . 1 . 2]" 2
1750 2 28 TYR HB2 2 42 PHE QD 4.970 . 4.970 3.514 3.317 3.790 . 0 0 "[ . 1 . 2]" 2
1751 2 28 TYR HB2 2 63 ILE QG 5.170 . 5.170 3.237 2.817 3.534 . 0 0 "[ . 1 . 2]" 2
1752 2 28 TYR HB3 2 29 PHE H 4.020 . 4.020 3.911 3.752 4.025 0.005 4 0 "[ . 1 . 2]" 2
1753 2 28 TYR HB3 2 40 VAL QG 5.020 . 5.020 4.109 3.383 4.668 . 0 0 "[ . 1 . 2]" 2
1754 2 28 TYR HB3 2 42 PHE QD 4.360 . 4.360 2.628 2.431 2.934 . 0 0 "[ . 1 . 2]" 2
1755 2 28 TYR HB3 2 63 ILE QG 4.690 . 4.690 3.556 2.867 3.847 . 0 0 "[ . 1 . 2]" 2
1756 2 28 TYR QD 2 29 PHE H 3.570 . 3.570 3.212 2.953 3.464 . 0 0 "[ . 1 . 2]" 2
1757 2 28 TYR QD 2 29 PHE HA 4.360 . 4.360 3.728 3.438 4.040 . 0 0 "[ . 1 . 2]" 2
1758 2 28 TYR QD 2 40 VAL MG1 3.900 . 3.900 2.847 2.318 3.416 . 0 0 "[ . 1 . 2]" 2
1759 2 28 TYR QD 2 40 VAL MG2 3.900 . 3.900 3.937 3.442 4.034 0.134 9 0 "[ . 1 . 2]" 2
1760 2 28 TYR QD 2 40 VAL QG 3.190 . 3.190 2.767 2.302 3.242 0.052 9 0 "[ . 1 . 2]" 2
1761 2 28 TYR QD 2 41 VAL H 5.040 . 5.040 4.676 4.259 5.015 . 0 0 "[ . 1 . 2]" 2
1762 2 28 TYR QD 2 63 ILE HA 4.480 . 4.480 3.466 3.096 3.691 . 0 0 "[ . 1 . 2]" 2
1763 2 28 TYR QD 2 63 ILE MG 4.000 . 4.000 3.512 3.193 3.719 . 0 0 "[ . 1 . 2]" 2
1764 2 28 TYR QD 2 66 LEU H 5.460 . 5.460 4.771 4.448 5.346 . 0 0 "[ . 1 . 2]" 2
1765 2 28 TYR QD 2 66 LEU HA 5.880 . 5.880 4.955 4.460 6.010 0.130 11 0 "[ . 1 . 2]" 2
1766 2 28 TYR QD 2 66 LEU HB2 4.850 . 4.850 2.791 2.124 4.740 . 0 0 "[ . 1 . 2]" 2
1767 2 28 TYR QD 2 66 LEU HB3 4.850 . 4.850 2.805 2.153 4.732 . 0 0 "[ . 1 . 2]" 2
1768 2 28 TYR QD 2 66 LEU QB 4.250 . 4.250 2.473 1.906 4.219 . 0 0 "[ . 1 . 2]" 2
1769 2 28 TYR QE 2 63 ILE MG 4.120 . 4.120 2.678 2.484 2.888 . 0 0 "[ . 1 . 2]" 2
1770 2 28 TYR QE 2 67 GLU H 4.110 . 4.110 3.252 2.779 3.927 . 0 0 "[ . 1 . 2]" 2
1771 2 28 TYR QE 2 67 GLU HA 4.690 . 4.690 2.674 2.210 3.522 . 0 0 "[ . 1 . 2]" 2
1772 2 28 TYR QE 2 67 GLU HG2 4.700 . 4.700 4.539 4.322 4.725 0.025 13 0 "[ . 1 . 2]" 2
1773 2 28 TYR QE 2 67 GLU HG3 5.210 . 5.210 5.208 5.046 5.317 0.107 12 0 "[ . 1 . 2]" 2
1774 2 29 PHE H 2 29 PHE HB2 4.170 . 4.170 3.230 2.702 3.363 . 0 0 "[ . 1 . 2]" 2
1775 2 29 PHE H 2 29 PHE HB3 4.170 . 4.170 3.009 2.763 3.764 . 0 0 "[ . 1 . 2]" 2
1776 2 29 PHE H 2 29 PHE QD 5.170 . 5.170 4.442 3.905 4.533 . 0 0 "[ . 1 . 2]" 2
1777 2 29 PHE H 2 30 TYR H 4.550 . 4.550 4.332 4.276 4.376 . 0 0 "[ . 1 . 2]" 2
1778 2 29 PHE H 2 40 VAL HA 4.560 . 4.560 4.176 3.936 4.462 . 0 0 "[ . 1 . 2]" 2
1779 2 29 PHE H 2 40 VAL HB 4.870 . 4.870 3.902 3.175 5.120 0.250 16 0 "[ . 1 . 2]" 2
1780 2 29 PHE H 2 40 VAL MG1 4.710 . 4.710 3.691 2.345 4.679 . 0 0 "[ . 1 . 2]" 2
1781 2 29 PHE H 2 40 VAL MG2 4.710 . 4.710 4.526 4.191 4.777 0.067 16 0 "[ . 1 . 2]" 2
1782 2 29 PHE H 2 40 VAL QG 3.760 . 3.760 3.383 2.337 3.974 0.214 17 0 "[ . 1 . 2]" 2
1783 2 29 PHE H 2 41 VAL H 3.370 . 3.370 2.634 2.417 2.817 . 0 0 "[ . 1 . 2]" 2
1784 2 29 PHE H 2 41 VAL HB 3.900 . 3.900 3.637 3.381 3.914 0.014 16 0 "[ . 1 . 2]" 2
1785 2 29 PHE H 2 41 VAL QG 4.340 . 4.340 4.030 3.862 4.206 . 0 0 "[ . 1 . 2]" 2
1786 2 29 PHE H 2 42 PHE HA 4.090 . 4.090 3.652 3.463 3.920 . 0 0 "[ . 1 . 2]" 2
1787 2 29 PHE H 2 42 PHE QD 5.440 . 5.440 4.877 4.684 5.110 . 0 0 "[ . 1 . 2]" 2
1788 2 29 PHE H 2 43 VAL H 5.500 . 5.500 4.897 4.586 5.200 . 0 0 "[ . 1 . 2]" 2
1789 2 29 PHE HA 2 30 TYR H 3.120 . 3.120 2.426 2.235 2.635 . 0 0 "[ . 1 . 2]" 2
1790 2 29 PHE HB3 2 30 TYR H 4.080 . 4.080 3.491 2.137 4.077 . 0 0 "[ . 1 . 2]" 2
1791 2 29 PHE HB3 2 41 VAL QG 5.500 . 5.500 3.336 2.931 4.380 . 0 0 "[ . 1 . 2]" 2
1792 2 29 PHE QD 2 30 TYR H 3.810 . 3.810 2.950 2.397 3.511 . 0 0 "[ . 1 . 2]" 2
1793 2 30 TYR H 2 30 TYR HB2 3.710 . 3.710 2.491 2.294 2.665 . 0 0 "[ . 1 . 2]" 2
1794 2 30 TYR H 2 30 TYR HB3 3.710 . 3.710 3.672 3.560 3.751 0.041 17 0 "[ . 1 . 2]" 2
1795 2 30 TYR H 2 30 TYR QB 3.110 . 3.110 2.453 2.267 2.611 . 0 0 "[ . 1 . 2]" 2
1796 2 30 TYR H 2 30 TYR QD 4.160 . 4.160 2.698 2.295 3.079 . 0 0 "[ . 1 . 2]" 2
1797 2 30 TYR H 2 31 THR H 4.770 . 4.770 4.530 4.451 4.620 . 0 0 "[ . 1 . 2]" 2
1798 2 30 TYR H 2 40 VAL MG1 5.290 . 5.290 4.681 4.074 5.295 0.005 17 0 "[ . 1 . 2]" 2
1799 2 30 TYR H 2 41 VAL H 5.030 . 5.030 4.569 4.278 4.791 . 0 0 "[ . 1 . 2]" 2
1800 2 30 TYR HA 2 30 TYR QD 4.220 . 4.220 2.898 2.565 3.117 . 0 0 "[ . 1 . 2]" 2
1801 2 30 TYR HA 2 30 TYR QE 4.810 . 4.810 4.619 4.486 4.753 . 0 0 "[ . 1 . 2]" 2
1802 2 30 TYR HA 2 31 THR H 2.960 . 2.960 2.285 2.206 2.390 . 0 0 "[ . 1 . 2]" 2
1803 2 30 TYR HA 2 31 THR MG 4.110 . 4.110 3.891 3.713 4.044 . 0 0 "[ . 1 . 2]" 2
1804 2 30 TYR HA 2 38 LEU QD 4.600 . 4.600 3.799 3.347 4.267 . 0 0 "[ . 1 . 2]" 2
1805 2 30 TYR HA 2 39 ALA H 5.300 . 5.300 4.697 4.442 5.021 . 0 0 "[ . 1 . 2]" 2
1806 2 30 TYR HA 2 40 VAL HA 3.710 . 3.710 2.353 1.914 2.663 . 0 0 "[ . 1 . 2]" 2
1807 2 30 TYR HA 2 40 VAL MG1 4.950 . 4.950 3.009 2.338 3.638 . 0 0 "[ . 1 . 2]" 2
1808 2 30 TYR HA 2 40 VAL MG2 4.950 . 4.950 4.381 3.484 4.946 . 0 0 "[ . 1 . 2]" 2
1809 2 30 TYR HA 2 40 VAL QG 3.650 . 3.650 2.868 2.332 3.283 . 0 0 "[ . 1 . 2]" 2
1810 2 30 TYR HA 2 41 VAL H 3.720 . 3.720 3.348 3.003 3.665 . 0 0 "[ . 1 . 2]" 2
1811 2 30 TYR HB2 2 31 THR H 4.070 . 4.070 3.886 3.653 4.099 0.029 14 0 "[ . 1 . 2]" 2
1812 2 30 TYR HB3 2 31 THR H 4.070 . 4.070 2.735 2.395 2.981 . 0 0 "[ . 1 . 2]" 2
1813 2 30 TYR QB 2 31 THR H 3.380 . 3.380 2.682 2.368 2.911 . 0 0 "[ . 1 . 2]" 2
1814 2 30 TYR QB 2 38 LEU QD 3.830 . 3.830 2.569 1.925 3.481 . 0 0 "[ . 1 . 2]" 2
1815 2 30 TYR QB 2 40 VAL QG 4.520 . 4.520 3.907 3.657 4.314 . 0 0 "[ . 1 . 2]" 2
1816 2 30 TYR QD 2 31 THR H 4.090 . 4.090 3.758 3.431 4.071 . 0 0 "[ . 1 . 2]" 2
1817 2 30 TYR QD 2 38 LEU QD 3.570 . 3.570 2.257 1.860 2.874 . 0 0 "[ . 1 . 2]" 2
1818 2 30 TYR QD 2 40 VAL QG 3.540 . 3.540 2.720 2.239 3.062 . 0 0 "[ . 1 . 2]" 2
1819 2 30 TYR QE 2 38 LEU QD 4.130 . 4.130 3.095 2.024 3.975 . 0 0 "[ . 1 . 2]" 2
1820 2 30 TYR QE 2 40 VAL QG 3.370 . 3.370 2.888 2.391 3.242 . 0 0 "[ . 1 . 2]" 2
1821 2 30 TYR QE 2 54 PRO QB 5.120 . 5.120 4.049 3.183 4.808 . 0 0 "[ . 1 . 2]" 2
1822 2 31 THR H 2 31 THR HB 4.190 . 4.190 3.573 3.519 3.607 . 0 0 "[ . 1 . 2]" 2
1823 2 31 THR H 2 31 THR MG 3.160 . 3.160 2.471 2.315 2.653 . 0 0 "[ . 1 . 2]" 2
1824 2 31 THR H 2 32 SER H 4.620 . 4.620 4.598 4.522 4.642 0.022 10 0 "[ . 1 . 2]" 2
1825 2 31 THR H 2 38 LEU HA 5.290 . 5.290 4.474 4.008 4.980 . 0 0 "[ . 1 . 2]" 2
1826 2 31 THR H 2 38 LEU QD 4.310 . 4.310 3.072 2.620 3.662 . 0 0 "[ . 1 . 2]" 2
1827 2 31 THR H 2 39 ALA H 3.830 . 3.830 3.027 2.693 3.485 . 0 0 "[ . 1 . 2]" 2
1828 2 31 THR H 2 39 ALA MB 4.350 . 4.350 3.961 3.650 4.235 . 0 0 "[ . 1 . 2]" 2
1829 2 31 THR H 2 40 VAL HA 3.660 . 3.660 3.326 2.876 3.670 0.010 5 0 "[ . 1 . 2]" 2
1830 2 31 THR H 2 40 VAL MG1 5.500 . 5.500 4.421 3.714 5.275 . 0 0 "[ . 1 . 2]" 2
1831 2 31 THR H 2 40 VAL MG2 5.640 . 5.640 5.288 4.524 5.769 0.129 12 0 "[ . 1 . 2]" 2
1832 2 31 THR H 2 40 VAL QG 4.240 . 4.240 4.069 3.655 4.391 0.151 13 0 "[ . 1 . 2]" 2
1833 2 31 THR H 2 41 VAL H 5.200 . 5.200 4.580 4.232 4.839 . 0 0 "[ . 1 . 2]" 2
1834 2 31 THR H 2 41 VAL QG 5.130 . 5.130 3.748 3.211 4.149 . 0 0 "[ . 1 . 2]" 2
1835 2 31 THR HA 2 31 THR MG 3.440 . 3.440 2.229 2.165 2.278 . 0 0 "[ . 1 . 2]" 2
1836 2 31 THR HA 2 32 SER H 3.440 . 3.440 2.427 2.309 2.614 . 0 0 "[ . 1 . 2]" 2
1837 2 31 THR HA 2 32 SER HA 4.650 . 4.650 4.282 4.242 4.313 . 0 0 "[ . 1 . 2]" 2
1838 2 31 THR HA 2 39 ALA H 5.500 . 5.500 4.946 4.579 5.477 . 0 0 "[ . 1 . 2]" 2
1839 2 31 THR HA 2 41 VAL QG 4.780 . 4.780 3.134 2.714 3.513 . 0 0 "[ . 1 . 2]" 2
1840 2 31 THR HB 2 32 SER H 3.890 . 3.890 2.320 1.975 2.635 . 0 0 "[ . 1 . 2]" 2
1841 2 31 THR HB 2 39 ALA MB 3.940 . 3.940 3.966 3.715 4.073 0.133 4 0 "[ . 1 . 2]" 2
1842 2 31 THR MG 2 32 SER H 3.840 . 3.840 3.371 3.169 3.516 . 0 0 "[ . 1 . 2]" 2
1843 2 31 THR MG 2 39 ALA H 3.940 . 3.940 2.873 2.533 3.316 . 0 0 "[ . 1 . 2]" 2
1844 2 31 THR MG 2 39 ALA HA 4.290 . 4.290 4.009 3.834 4.130 . 0 0 "[ . 1 . 2]" 2
1845 2 31 THR MG 2 39 ALA MB 3.130 . 3.130 1.864 1.762 1.976 . 0 0 "[ . 1 . 2]" 2
1846 2 31 THR MG 2 40 VAL H 4.030 . 4.030 3.881 3.515 4.121 0.091 13 0 "[ . 1 . 2]" 2
1847 2 31 THR MG 2 41 VAL H 4.370 . 4.370 4.219 3.647 4.428 0.058 4 0 "[ . 1 . 2]" 2
1848 2 31 THR MG 2 41 VAL HA 5.310 . 5.310 4.748 4.189 5.196 . 0 0 "[ . 1 . 2]" 2
1849 2 31 THR MG 2 41 VAL HB 4.970 . 4.970 4.633 4.137 5.049 0.079 12 0 "[ . 1 . 2]" 2
1850 2 31 THR MG 2 41 VAL QG 2.890 . 2.890 2.399 2.003 2.782 . 0 0 "[ . 1 . 2]" 2
1851 2 32 SER H 2 32 SER HB2 3.760 . 3.760 2.549 2.447 2.637 . 0 0 "[ . 1 . 2]" 2
1852 2 32 SER H 2 32 SER HB3 3.760 . 3.760 3.506 2.608 3.575 . 0 0 "[ . 1 . 2]" 2
1853 2 32 SER H 2 33 SER H 4.820 . 4.820 4.618 4.557 4.644 . 0 0 "[ . 1 . 2]" 2
1854 2 32 SER HA 2 33 SER H 2.740 . 2.740 2.296 2.170 2.387 . 0 0 "[ . 1 . 2]" 2
1855 2 32 SER HA 2 34 LYS H 4.490 . 4.490 3.857 3.588 4.088 . 0 0 "[ . 1 . 2]" 2
1856 2 32 SER HB2 2 34 LYS H 4.160 . 4.160 3.072 2.824 4.114 . 0 0 "[ . 1 . 2]" 2
1857 2 32 SER HB3 2 34 LYS H 4.160 . 4.160 2.649 2.476 2.871 . 0 0 "[ . 1 . 2]" 2
1858 2 32 SER QB 2 33 SER H 3.840 . 3.840 2.745 2.494 3.318 . 0 0 "[ . 1 . 2]" 2
1859 2 32 SER QB 2 34 LYS H 3.340 . 3.340 2.495 2.346 2.819 . 0 0 "[ . 1 . 2]" 2
1860 2 32 SER QB 2 34 LYS HB2 4.590 . 4.590 3.006 2.719 3.390 . 0 0 "[ . 1 . 2]" 2
1861 2 32 SER QB 2 34 LYS QG 3.920 . 3.920 3.245 2.385 4.065 0.145 10 0 "[ . 1 . 2]" 2
1862 2 32 SER QB 2 35 CYS H 4.320 . 4.320 3.162 2.963 3.465 . 0 0 "[ . 1 . 2]" 2
1863 2 32 SER QB 2 35 CYS QB 4.180 . 4.180 3.974 3.492 4.291 0.111 8 0 "[ . 1 . 2]" 2
1864 2 33 SER H 2 33 SER QB 3.250 . 3.250 2.496 2.241 2.660 . 0 0 "[ . 1 . 2]" 2
1865 2 33 SER H 2 34 LYS H 3.480 . 3.480 2.572 2.432 2.719 . 0 0 "[ . 1 . 2]" 2
1866 2 33 SER H 2 34 LYS HB2 5.200 . 5.200 4.818 4.630 5.074 . 0 0 "[ . 1 . 2]" 2
1867 2 33 SER H 2 34 LYS QG 4.340 . 4.340 3.874 3.517 4.284 . 0 0 "[ . 1 . 2]" 2
1868 2 33 SER H 2 35 CYS H 4.460 . 4.460 4.194 4.072 4.395 . 0 0 "[ . 1 . 2]" 2
1869 2 33 SER HA 2 35 CYS H 3.680 . 3.680 3.524 3.335 3.713 0.033 12 0 "[ . 1 . 2]" 2
1870 2 33 SER QB 2 34 LYS H 4.040 . 4.040 3.291 2.977 3.625 . 0 0 "[ . 1 . 2]" 2
1871 2 33 SER QB 2 35 CYS H 4.620 . 4.620 4.623 4.485 4.707 0.087 1 0 "[ . 1 . 2]" 2
1872 2 34 LYS H 2 34 LYS HB2 3.430 . 3.430 2.478 2.401 2.625 . 0 0 "[ . 1 . 2]" 2
1873 2 34 LYS H 2 34 LYS HB3 3.770 . 3.770 3.618 3.589 3.650 . 0 0 "[ . 1 . 2]" 2
1874 2 34 LYS H 2 34 LYS QD 3.820 . 3.820 3.554 3.151 3.832 0.012 6 0 "[ . 1 . 2]" 2
1875 2 34 LYS H 2 34 LYS QG 3.050 . 3.050 2.387 2.077 2.691 . 0 0 "[ . 1 . 2]" 2
1876 2 34 LYS H 2 35 CYS H 3.190 . 3.190 2.399 2.191 2.581 . 0 0 "[ . 1 . 2]" 2
1877 2 34 LYS HA 2 34 LYS HD2 4.240 . 4.240 2.966 2.659 3.103 . 0 0 "[ . 1 . 2]" 2
1878 2 34 LYS HA 2 34 LYS HD3 4.240 . 4.240 2.131 1.989 2.298 . 0 0 "[ . 1 . 2]" 2
1879 2 34 LYS HA 2 34 LYS HE2 5.460 . 5.460 4.454 4.223 4.851 . 0 0 "[ . 1 . 2]" 2
1880 2 34 LYS HA 2 34 LYS HE3 5.460 . 5.460 4.757 4.278 4.955 . 0 0 "[ . 1 . 2]" 2
1881 2 34 LYS HA 2 34 LYS QE 4.650 . 4.650 4.074 3.870 4.224 . 0 0 "[ . 1 . 2]" 2
1882 2 34 LYS HA 2 34 LYS QG 3.240 . 3.240 2.957 2.868 3.125 . 0 0 "[ . 1 . 2]" 2
1883 2 34 LYS HB2 2 35 CYS H 3.860 . 3.860 3.268 2.902 3.591 . 0 0 "[ . 1 . 2]" 2
1884 2 34 LYS HB3 2 35 CYS H 4.510 . 4.510 4.120 3.793 4.330 . 0 0 "[ . 1 . 2]" 2
1885 2 34 LYS QG 2 35 CYS H 4.510 . 4.510 4.282 3.990 4.536 0.026 5 0 "[ . 1 . 2]" 2
1886 2 35 CYS H 2 35 CYS QB 3.130 . 3.130 2.425 2.291 2.530 . 0 0 "[ . 1 . 2]" 2
1887 2 35 CYS H 2 36 SER H 4.660 . 4.660 4.569 4.427 4.628 . 0 0 "[ . 1 . 2]" 2
1888 2 35 CYS HA 2 36 SER H 3.100 . 3.100 2.243 2.124 2.403 . 0 0 "[ . 1 . 2]" 2
1889 2 35 CYS HA 2 37 ASN H 4.280 . 4.280 3.783 3.523 4.162 . 0 0 "[ . 1 . 2]" 2
1890 2 35 CYS HB2 2 36 SER H 4.160 . 4.160 3.917 3.624 4.191 0.031 18 0 "[ . 1 . 2]" 2
1891 2 35 CYS HB2 2 37 ASN H 4.400 . 4.400 3.418 2.741 4.429 0.029 18 0 "[ . 1 . 2]" 2
1892 2 35 CYS HB3 2 36 SER H 4.160 . 4.160 2.887 2.468 3.469 . 0 0 "[ . 1 . 2]" 2
1893 2 35 CYS HB3 2 37 ASN H 4.400 . 4.400 2.575 2.167 3.452 . 0 0 "[ . 1 . 2]" 2
1894 2 35 CYS QB 2 36 SER H 3.440 . 3.440 2.813 2.429 3.311 . 0 0 "[ . 1 . 2]" 2
1895 2 35 CYS QB 2 37 ASN H 3.610 . 3.610 2.492 2.141 3.337 . 0 0 "[ . 1 . 2]" 2
1896 2 36 SER H 2 37 ASN H 3.170 . 3.170 2.441 2.312 2.587 . 0 0 "[ . 1 . 2]" 2
1897 2 36 SER H 2 37 ASN HA 5.290 . 5.290 5.085 4.956 5.211 . 0 0 "[ . 1 . 2]" 2
1898 2 36 SER H 2 37 ASN QB 4.930 . 4.930 4.420 3.890 5.028 0.098 13 0 "[ . 1 . 2]" 2
1899 2 37 ASN H 2 37 ASN QB 3.150 . 3.150 2.709 2.301 3.214 0.064 10 0 "[ . 1 . 2]" 2
1900 2 37 ASN H 2 38 LEU H 5.010 . 5.010 4.342 3.902 4.562 . 0 0 "[ . 1 . 2]" 2
1901 2 37 ASN HA 2 38 LEU H 2.650 . 2.650 2.261 2.113 2.485 . 0 0 "[ . 1 . 2]" 2
1902 2 37 ASN HA 2 38 LEU HA 4.860 . 4.860 4.359 4.315 4.390 . 0 0 "[ . 1 . 2]" 2
1903 2 37 ASN HA 2 38 LEU QB 4.150 . 4.150 4.058 3.980 4.180 0.030 13 0 "[ . 1 . 2]" 2
1904 2 37 ASN QB 2 38 LEU H 4.260 . 4.260 3.185 2.188 3.854 . 0 0 "[ . 1 . 2]" 2
1905 2 37 ASN QD 2 38 LEU H 4.380 . 4.380 3.552 2.886 4.305 . 0 0 "[ . 1 . 2]" 2
1906 2 37 ASN QD 2 39 ALA H 4.660 . 4.660 3.932 3.638 4.468 . 0 0 "[ . 1 . 2]" 2
1907 2 37 ASN QD 2 39 ALA MB 3.640 . 3.640 2.166 1.870 2.629 . 0 0 "[ . 1 . 2]" 2
1908 2 37 ASN QD 2 53 ASN HB3 5.140 . 5.140 4.792 3.978 5.241 0.101 7 0 "[ . 1 . 2]" 2
1909 2 38 LEU H 2 38 LEU QB 2.630 . 2.630 2.311 2.104 2.431 . 0 0 "[ . 1 . 2]" 2
1910 2 38 LEU H 2 38 LEU MD1 4.360 . 4.360 4.213 4.088 4.323 . 0 0 "[ . 1 . 2]" 2
1911 2 38 LEU H 2 38 LEU MD2 4.360 . 4.360 4.169 2.923 4.385 0.025 11 0 "[ . 1 . 2]" 2
1912 2 38 LEU H 2 39 ALA H 4.750 . 4.750 4.399 4.274 4.540 . 0 0 "[ . 1 . 2]" 2
1913 2 38 LEU HA 2 38 LEU HG 3.890 . 3.890 3.424 3.055 3.784 . 0 0 "[ . 1 . 2]" 2
1914 2 38 LEU HA 2 38 LEU QD 2.960 . 2.960 2.040 1.871 2.138 . 0 0 "[ . 1 . 2]" 2
1915 2 38 LEU HA 2 39 ALA H 2.720 . 2.720 2.128 2.093 2.181 . 0 0 "[ . 1 . 2]" 2
1916 2 38 LEU HA 2 39 ALA MB 4.200 . 4.200 3.971 3.926 4.005 . 0 0 "[ . 1 . 2]" 2
1917 2 38 LEU HB2 2 39 ALA H 4.520 . 4.520 4.298 4.196 4.444 . 0 0 "[ . 1 . 2]" 2
1918 2 38 LEU HB3 2 39 ALA H 4.520 . 4.520 4.123 3.131 4.282 . 0 0 "[ . 1 . 2]" 2
1919 2 38 LEU HG 2 39 ALA H 4.730 . 4.730 3.961 3.057 4.901 0.171 12 0 "[ . 1 . 2]" 2
1920 2 38 LEU HG 2 54 PRO QB 5.130 . 5.130 4.908 3.558 5.294 0.164 12 0 "[ . 1 . 2]" 2
1921 2 38 LEU QB 2 39 ALA H 3.910 . 3.910 3.735 3.054 3.830 . 0 0 "[ . 1 . 2]" 2
1922 2 38 LEU MD1 2 39 ALA H 4.470 . 4.470 2.509 2.264 2.883 . 0 0 "[ . 1 . 2]" 2
1923 2 38 LEU MD2 2 39 ALA H 4.470 . 4.470 3.627 2.066 4.669 0.199 5 0 "[ . 1 . 2]" 2
1924 2 38 LEU QD 2 39 ALA H 3.230 . 3.230 2.347 1.979 2.629 . 0 0 "[ . 1 . 2]" 2
1925 2 38 LEU QD 2 39 ALA HA 4.250 . 4.250 3.585 2.721 4.283 0.033 13 0 "[ . 1 . 2]" 2
1926 2 38 LEU QD 2 40 VAL HA 4.700 . 4.700 4.450 3.881 4.765 0.065 18 0 "[ . 1 . 2]" 2
1927 2 38 LEU QD 2 54 PRO QB 5.180 . 5.180 3.638 2.798 4.730 . 0 0 "[ . 1 . 2]" 2
1928 2 38 LEU QD 2 54 PRO QG 4.010 . 4.010 2.590 1.801 3.706 . 0 0 "[ . 1 . 2]" 2
1929 2 39 ALA H 2 39 ALA MB 2.960 . 2.960 2.600 2.528 2.689 . 0 0 "[ . 1 . 2]" 2
1930 2 39 ALA H 2 40 VAL HA 4.800 . 4.800 4.618 4.504 4.750 . 0 0 "[ . 1 . 2]" 2
1931 2 39 ALA HA 2 40 VAL H 3.120 . 3.120 2.468 2.285 2.633 . 0 0 "[ . 1 . 2]" 2
1932 2 39 ALA HA 2 40 VAL QG 3.940 . 3.940 3.188 3.069 3.257 . 0 0 "[ . 1 . 2]" 2
1933 2 39 ALA HA 2 53 ASN HA 4.420 . 4.420 2.755 2.401 3.360 . 0 0 "[ . 1 . 2]" 2
1934 2 39 ALA HA 2 53 ASN QD 5.070 . 5.070 3.867 2.627 5.143 0.073 5 0 "[ . 1 . 2]" 2
1935 2 39 ALA MB 2 40 VAL H 2.990 . 2.990 2.299 2.023 2.610 . 0 0 "[ . 1 . 2]" 2
1936 2 39 ALA MB 2 40 VAL MG1 5.300 . 5.300 4.475 3.998 5.182 . 0 0 "[ . 1 . 2]" 2
1937 2 39 ALA MB 2 40 VAL MG2 5.300 . 5.300 3.932 3.675 4.165 . 0 0 "[ . 1 . 2]" 2
1938 2 39 ALA MB 2 40 VAL QG 4.260 . 4.260 3.669 3.413 4.002 . 0 0 "[ . 1 . 2]" 2
1939 2 39 ALA MB 2 41 VAL QG 4.320 . 4.320 3.732 3.449 3.963 . 0 0 "[ . 1 . 2]" 2
1940 2 39 ALA MB 2 51 CYS QB 3.930 . 3.930 3.276 2.837 3.689 . 0 0 "[ . 1 . 2]" 2
1941 2 39 ALA MB 2 52 ALA H 3.920 . 3.920 3.232 2.912 3.479 . 0 0 "[ . 1 . 2]" 2
1942 2 39 ALA MB 2 52 ALA HA 5.110 . 5.110 4.392 4.150 4.675 . 0 0 "[ . 1 . 2]" 2
1943 2 39 ALA MB 2 53 ASN HA 4.490 . 4.490 2.996 2.558 3.430 . 0 0 "[ . 1 . 2]" 2
1944 2 39 ALA MB 2 54 PRO QD 4.350 . 4.350 3.182 2.842 3.463 . 0 0 "[ . 1 . 2]" 2
1945 2 40 VAL H 2 40 VAL HB 4.070 . 4.070 3.424 2.636 3.875 . 0 0 "[ . 1 . 2]" 2
1946 2 40 VAL H 2 40 VAL MG1 3.990 . 3.990 3.216 2.587 3.886 . 0 0 "[ . 1 . 2]" 2
1947 2 40 VAL H 2 40 VAL MG2 3.990 . 3.990 2.317 2.091 2.540 . 0 0 "[ . 1 . 2]" 2
1948 2 40 VAL H 2 40 VAL QG 3.290 . 3.290 2.257 2.050 2.507 . 0 0 "[ . 1 . 2]" 2
1949 2 40 VAL H 2 41 VAL H 4.510 . 4.510 4.369 4.275 4.455 . 0 0 "[ . 1 . 2]" 2
1950 2 40 VAL H 2 52 ALA H 3.860 . 3.860 2.977 2.742 3.141 . 0 0 "[ . 1 . 2]" 2
1951 2 40 VAL H 2 52 ALA MB 4.370 . 4.370 4.057 3.901 4.178 . 0 0 "[ . 1 . 2]" 2
1952 2 40 VAL H 2 53 ASN H 5.500 . 5.500 4.885 4.549 5.197 . 0 0 "[ . 1 . 2]" 2
1953 2 40 VAL H 2 54 PRO QB 5.400 . 5.400 4.602 4.281 5.011 . 0 0 "[ . 1 . 2]" 2
1954 2 40 VAL H 2 54 PRO QG 5.150 . 5.150 4.655 4.173 5.184 0.034 18 0 "[ . 1 . 2]" 2
1955 2 40 VAL HA 2 40 VAL MG1 3.420 . 3.420 2.351 2.269 2.432 . 0 0 "[ . 1 . 2]" 2
1956 2 40 VAL HA 2 40 VAL MG2 3.420 . 3.420 2.947 2.441 3.210 . 0 0 "[ . 1 . 2]" 2
1957 2 40 VAL HA 2 40 VAL QG 2.970 . 2.970 2.242 2.140 2.362 . 0 0 "[ . 1 . 2]" 2
1958 2 40 VAL HA 2 41 VAL H 2.990 . 2.990 2.180 2.083 2.340 . 0 0 "[ . 1 . 2]" 2
1959 2 40 VAL HA 2 41 VAL QG 4.860 . 4.860 3.259 3.115 3.498 . 0 0 "[ . 1 . 2]" 2
1960 2 40 VAL HA 2 52 ALA H 5.250 . 5.250 4.809 4.706 4.938 . 0 0 "[ . 1 . 2]" 2
1961 2 40 VAL HB 2 41 VAL H 3.970 . 3.970 3.075 2.354 4.042 0.072 20 0 "[ . 1 . 2]" 2
1962 2 40 VAL HB 2 41 VAL HA 5.420 . 5.420 4.624 4.474 4.848 . 0 0 "[ . 1 . 2]" 2
1963 2 40 VAL HB 2 59 VAL MG1 4.600 . 4.600 3.590 2.316 4.394 . 0 0 "[ . 1 . 2]" 2
1964 2 40 VAL MG1 2 41 VAL H 4.060 . 4.060 3.273 2.446 3.758 . 0 0 "[ . 1 . 2]" 2
1965 2 40 VAL MG1 2 52 ALA H 4.980 . 4.980 4.933 4.427 5.152 0.172 12 0 "[ . 1 . 2]" 2
1966 2 40 VAL MG1 2 52 ALA MB 4.840 . 4.840 4.632 4.042 4.929 0.089 18 0 "[ . 1 . 2]" 2
1967 2 40 VAL MG1 2 54 PRO HA 4.830 . 4.830 4.206 3.293 4.951 0.121 13 0 "[ . 1 . 2]" 2
1968 2 40 VAL MG1 2 54 PRO QB 4.440 . 4.440 3.229 2.098 4.484 0.044 20 0 "[ . 1 . 2]" 2
1969 2 40 VAL MG1 2 59 VAL MG1 3.430 . 3.430 3.058 2.560 3.454 0.024 12 0 "[ . 1 . 2]" 2
1970 2 40 VAL MG1 2 63 ILE MD 3.940 . 3.940 2.037 1.871 2.352 . 0 0 "[ . 1 . 2]" 2
1971 2 40 VAL MG2 2 41 VAL H 4.060 . 4.060 3.692 3.206 4.075 0.015 20 0 "[ . 1 . 2]" 2
1972 2 40 VAL MG2 2 52 ALA H 4.980 . 4.980 3.689 3.007 4.899 . 0 0 "[ . 1 . 2]" 2
1973 2 40 VAL MG2 2 52 ALA MB 4.840 . 4.840 3.262 2.516 4.487 . 0 0 "[ . 1 . 2]" 2
1974 2 40 VAL MG2 2 54 PRO HA 4.830 . 4.830 3.246 2.781 3.735 . 0 0 "[ . 1 . 2]" 2
1975 2 40 VAL MG2 2 54 PRO QB 4.440 . 4.440 2.969 2.063 3.785 . 0 0 "[ . 1 . 2]" 2
1976 2 40 VAL MG2 2 59 VAL MG1 3.430 . 3.430 2.090 1.949 2.392 . 0 0 "[ . 1 . 2]" 2
1977 2 40 VAL MG2 2 63 ILE MD 3.940 . 3.940 2.083 1.797 2.607 . 0 0 "[ . 1 . 2]" 2
1978 2 40 VAL QG 2 41 VAL H 3.370 . 3.370 2.945 2.425 3.320 . 0 0 "[ . 1 . 2]" 2
1979 2 40 VAL QG 2 41 VAL HA 4.390 . 4.390 3.785 3.474 4.070 . 0 0 "[ . 1 . 2]" 2
1980 2 40 VAL QG 2 42 PHE H 4.640 . 4.640 4.115 3.832 4.458 . 0 0 "[ . 1 . 2]" 2
1981 2 40 VAL QG 2 42 PHE HA 5.070 . 5.070 4.459 3.732 4.991 . 0 0 "[ . 1 . 2]" 2
1982 2 40 VAL QG 2 42 PHE HB2 5.440 . 5.440 4.918 4.706 5.164 . 0 0 "[ . 1 . 2]" 2
1983 2 40 VAL QG 2 42 PHE QE 3.730 . 3.730 2.548 2.107 3.001 . 0 0 "[ . 1 . 2]" 2
1984 2 40 VAL QG 2 52 ALA H 4.270 . 4.270 3.477 2.986 4.314 0.044 16 0 "[ . 1 . 2]" 2
1985 2 40 VAL QG 2 52 ALA MB 3.920 . 3.920 3.072 2.505 3.956 0.036 5 0 "[ . 1 . 2]" 2
1986 2 40 VAL QG 2 54 PRO HA 3.430 . 3.430 3.082 2.763 3.505 0.075 18 0 "[ . 1 . 2]" 2
1987 2 40 VAL QG 2 54 PRO QB 3.050 . 3.050 2.383 2.058 3.011 . 0 0 "[ . 1 . 2]" 2
1988 2 40 VAL QG 2 54 PRO QD 3.680 . 3.680 2.568 2.127 3.171 . 0 0 "[ . 1 . 2]" 2
1989 2 40 VAL QG 2 54 PRO QG 3.930 . 3.930 3.170 2.562 3.910 . 0 0 "[ . 1 . 2]" 2
1990 2 40 VAL QG 2 59 VAL MG1 2.850 . 2.850 2.046 1.926 2.291 . 0 0 "[ . 1 . 2]" 2
1991 2 40 VAL QG 2 59 VAL MG2 4.960 . 4.960 3.500 3.191 3.952 . 0 0 "[ . 1 . 2]" 2
1992 2 40 VAL QG 2 60 GLN HE21 4.920 . 4.920 4.204 3.887 4.507 . 0 0 "[ . 1 . 2]" 2
1993 2 40 VAL QG 2 60 GLN HE22 5.000 . 5.000 4.271 3.588 4.724 . 0 0 "[ . 1 . 2]" 2
1994 2 40 VAL QG 2 63 ILE MD 3.410 . 3.410 1.798 1.714 1.889 . 0 0 "[ . 1 . 2]" 2
1995 2 41 VAL H 2 41 VAL HB 3.280 . 3.280 2.632 2.488 2.791 . 0 0 "[ . 1 . 2]" 2
1996 2 41 VAL H 2 41 VAL QG 3.090 . 3.090 2.527 2.358 2.724 . 0 0 "[ . 1 . 2]" 2
1997 2 41 VAL H 2 42 PHE H 5.010 . 5.010 4.243 4.152 4.340 . 0 0 "[ . 1 . 2]" 2
1998 2 41 VAL H 2 42 PHE QE 5.500 . 5.500 5.617 5.560 5.689 0.189 11 0 "[ . 1 . 2]" 2
1999 2 41 VAL HA 2 41 VAL QG 3.330 . 3.330 2.133 2.114 2.146 . 0 0 "[ . 1 . 2]" 2
2000 2 41 VAL HA 2 42 PHE H 3.030 . 3.030 2.128 2.109 2.153 . 0 0 "[ . 1 . 2]" 2
2001 2 41 VAL HA 2 50 VAL H 4.330 . 4.330 4.005 3.599 4.391 0.061 16 0 "[ . 1 . 2]" 2
2002 2 41 VAL HA 2 50 VAL QG 4.250 . 4.250 3.805 3.720 3.949 . 0 0 "[ . 1 . 2]" 2
2003 2 41 VAL HA 2 51 CYS HA 4.120 . 4.120 2.303 2.147 2.679 . 0 0 "[ . 1 . 2]" 2
2004 2 41 VAL HA 2 52 ALA H 4.060 . 4.060 3.583 3.301 4.094 0.034 13 0 "[ . 1 . 2]" 2
2005 2 41 VAL HA 2 52 ALA MB 5.500 . 5.500 4.790 4.427 5.264 . 0 0 "[ . 1 . 2]" 2
2006 2 41 VAL HB 2 42 PHE H 4.460 . 4.460 4.210 4.146 4.310 . 0 0 "[ . 1 . 2]" 2
2007 2 41 VAL HB 2 49 GLN HE22 5.500 . 5.500 4.409 3.796 4.913 . 0 0 "[ . 1 . 2]" 2
2008 2 41 VAL QG 2 42 PHE H 3.150 . 3.150 2.808 2.645 2.977 . 0 0 "[ . 1 . 2]" 2
2009 2 41 VAL QG 2 42 PHE HA 4.300 . 4.300 3.869 3.627 4.000 . 0 0 "[ . 1 . 2]" 2
2010 2 41 VAL QG 2 42 PHE HB2 5.330 . 5.330 4.484 4.377 4.589 . 0 0 "[ . 1 . 2]" 2
2011 2 41 VAL QG 2 43 VAL H 4.440 . 4.440 4.290 3.890 4.490 0.050 14 0 "[ . 1 . 2]" 2
2012 2 41 VAL QG 2 43 VAL HA 4.800 . 4.800 4.022 3.844 4.112 . 0 0 "[ . 1 . 2]" 2
2013 2 41 VAL QG 2 43 VAL MG1 4.760 . 4.760 4.723 4.618 4.812 0.052 2 0 "[ . 1 . 2]" 2
2014 2 41 VAL QG 2 43 VAL MG2 3.300 . 3.300 2.987 2.718 3.273 . 0 0 "[ . 1 . 2]" 2
2015 2 41 VAL QG 2 44 THR H 5.500 . 5.500 5.522 5.403 5.618 0.118 12 0 "[ . 1 . 2]" 2
2016 2 41 VAL QG 2 49 GLN HA 3.690 . 3.690 3.305 3.088 3.573 . 0 0 "[ . 1 . 2]" 2
2017 2 41 VAL QG 2 49 GLN HB2 3.900 . 3.900 2.634 1.732 3.359 . 0 0 "[ . 1 . 2]" 2
2018 2 41 VAL QG 2 49 GLN HB3 3.900 . 3.900 2.289 1.768 2.951 . 0 0 "[ . 1 . 2]" 2
2019 2 41 VAL QG 2 49 GLN HE21 4.160 . 4.160 1.663 1.562 2.204 . 0 0 "[ . 1 . 2]" 2
2020 2 41 VAL QG 2 49 GLN HE22 4.080 . 4.080 2.609 2.411 2.775 . 0 0 "[ . 1 . 2]" 2
2021 2 41 VAL QG 2 49 GLN QG 3.980 . 3.980 3.250 2.774 3.456 . 0 0 "[ . 1 . 2]" 2
2022 2 41 VAL QG 2 50 VAL H 3.380 . 3.380 2.705 2.383 3.048 . 0 0 "[ . 1 . 2]" 2
2023 2 41 VAL QG 2 50 VAL HB 5.290 . 5.290 5.023 4.791 5.174 . 0 0 "[ . 1 . 2]" 2
2024 2 41 VAL QG 2 51 CYS H 4.660 . 4.660 4.030 3.647 4.435 . 0 0 "[ . 1 . 2]" 2
2025 2 41 VAL QG 2 51 CYS HA 4.220 . 4.220 2.807 2.491 3.129 . 0 0 "[ . 1 . 2]" 2
2026 2 41 VAL QG 2 52 ALA H 4.660 . 4.660 3.975 3.678 4.300 . 0 0 "[ . 1 . 2]" 2
2027 2 42 PHE H 2 42 PHE HB2 3.610 . 3.610 2.419 2.352 2.484 . 0 0 "[ . 1 . 2]" 2
2028 2 42 PHE H 2 42 PHE HB3 3.780 . 3.780 3.636 3.590 3.681 . 0 0 "[ . 1 . 2]" 2
2029 2 42 PHE H 2 42 PHE QD 4.010 . 4.010 2.713 2.531 2.928 . 0 0 "[ . 1 . 2]" 2
2030 2 42 PHE H 2 43 VAL H 4.590 . 4.590 4.430 4.339 4.470 . 0 0 "[ . 1 . 2]" 2
2031 2 42 PHE H 2 49 GLN HA 4.790 . 4.790 4.597 4.389 4.753 . 0 0 "[ . 1 . 2]" 2
2032 2 42 PHE H 2 50 VAL HB 4.830 . 4.830 4.867 4.737 4.911 0.081 4 0 "[ . 1 . 2]" 2
2033 2 42 PHE H 2 50 VAL QG 3.660 . 3.660 2.480 2.416 2.603 . 0 0 "[ . 1 . 2]" 2
2034 2 42 PHE H 2 51 CYS H 5.000 . 5.000 4.794 4.679 4.996 . 0 0 "[ . 1 . 2]" 2
2035 2 42 PHE H 2 51 CYS HA 4.280 . 4.280 3.444 3.184 3.914 . 0 0 "[ . 1 . 2]" 2
2036 2 42 PHE H 2 52 ALA H 5.150 . 5.150 4.625 4.265 5.057 . 0 0 "[ . 1 . 2]" 2
2037 2 42 PHE HA 2 42 PHE QD 3.720 . 3.720 2.779 2.639 2.910 . 0 0 "[ . 1 . 2]" 2
2038 2 42 PHE HA 2 42 PHE QE 4.820 . 4.820 4.527 4.455 4.609 . 0 0 "[ . 1 . 2]" 2
2039 2 42 PHE HA 2 43 VAL H 3.080 . 3.080 2.110 2.080 2.141 . 0 0 "[ . 1 . 2]" 2
2040 2 42 PHE HA 2 43 VAL HB 4.830 . 4.830 4.569 4.466 4.665 . 0 0 "[ . 1 . 2]" 2
2041 2 42 PHE HA 2 43 VAL MG2 4.400 . 4.400 3.547 3.399 3.785 . 0 0 "[ . 1 . 2]" 2
2042 2 42 PHE HB2 2 43 VAL H 4.410 . 4.410 4.197 4.101 4.279 . 0 0 "[ . 1 . 2]" 2
2043 2 42 PHE HB2 2 50 VAL H 4.770 . 4.770 3.585 3.407 3.866 . 0 0 "[ . 1 . 2]" 2
2044 2 42 PHE HB2 2 50 VAL HB 4.270 . 4.270 4.320 4.286 4.353 0.083 17 0 "[ . 1 . 2]" 2
2045 2 42 PHE HB2 2 50 VAL QG 3.550 . 3.550 1.809 1.752 1.852 . 0 0 "[ . 1 . 2]" 2
2046 2 42 PHE HB3 2 43 VAL H 3.870 . 3.870 3.213 3.068 3.366 . 0 0 "[ . 1 . 2]" 2
2047 2 42 PHE HB3 2 50 VAL H 5.500 . 5.500 4.645 4.445 4.962 . 0 0 "[ . 1 . 2]" 2
2048 2 42 PHE HB3 2 50 VAL HB 5.500 . 5.500 5.558 5.505 5.622 0.122 12 0 "[ . 1 . 2]" 2
2049 2 42 PHE HB3 2 50 VAL QG 3.690 . 3.690 2.963 2.920 3.030 . 0 0 "[ . 1 . 2]" 2
2050 2 42 PHE QD 2 43 VAL H 4.040 . 4.040 3.863 3.665 4.022 . 0 0 "[ . 1 . 2]" 2
2051 2 42 PHE QD 2 50 VAL HB 5.400 . 5.400 5.464 5.372 5.523 0.123 6 0 "[ . 1 . 2]" 2
2052 2 42 PHE QD 2 50 VAL MG1 5.190 . 5.190 2.511 2.408 2.607 . 0 0 "[ . 1 . 2]" 2
2053 2 42 PHE QD 2 50 VAL MG2 5.190 . 5.190 4.158 3.864 4.450 . 0 0 "[ . 1 . 2]" 2
2054 2 42 PHE QD 2 50 VAL QG 3.790 . 3.790 2.491 2.389 2.590 . 0 0 "[ . 1 . 2]" 2
2055 2 42 PHE QD 2 52 ALA MB 3.590 . 3.590 2.940 2.686 3.332 . 0 0 "[ . 1 . 2]" 2
2056 2 42 PHE QE 2 52 ALA H 4.990 . 4.990 4.413 4.118 4.791 . 0 0 "[ . 1 . 2]" 2
2057 2 42 PHE QE 2 52 ALA MB 3.130 . 3.130 2.178 1.918 2.472 . 0 0 "[ . 1 . 2]" 2
2058 2 42 PHE QE 2 59 VAL HA 4.060 . 4.060 3.495 3.080 3.855 . 0 0 "[ . 1 . 2]" 2
2059 2 42 PHE QE 2 59 VAL MG1 3.660 . 3.660 2.206 1.976 2.430 . 0 0 "[ . 1 . 2]" 2
2060 2 42 PHE QE 2 59 VAL MG2 3.700 . 3.700 2.636 2.178 3.152 . 0 0 "[ . 1 . 2]" 2
2061 2 42 PHE QE 2 63 ILE H 4.850 . 4.850 3.805 3.532 4.045 . 0 0 "[ . 1 . 2]" 2
2062 2 43 VAL H 2 43 VAL HB 3.440 . 3.440 2.530 2.416 2.618 . 0 0 "[ . 1 . 2]" 2
2063 2 43 VAL H 2 43 VAL MG1 3.870 . 3.870 3.791 3.741 3.825 . 0 0 "[ . 1 . 2]" 2
2064 2 43 VAL H 2 43 VAL MG2 3.110 . 3.110 2.460 2.291 2.666 . 0 0 "[ . 1 . 2]" 2
2065 2 43 VAL H 2 44 THR H 4.770 . 4.770 4.304 4.211 4.377 . 0 0 "[ . 1 . 2]" 2
2066 2 43 VAL H 2 49 GLN HA 5.500 . 5.500 4.613 4.411 4.792 . 0 0 "[ . 1 . 2]" 2
2067 2 43 VAL HA 2 43 VAL MG1 3.240 . 3.240 2.408 2.340 2.504 . 0 0 "[ . 1 . 2]" 2
2068 2 43 VAL HA 2 43 VAL MG2 3.210 . 3.210 2.409 2.314 2.471 . 0 0 "[ . 1 . 2]" 2
2069 2 43 VAL HA 2 44 THR H 3.020 . 3.020 2.127 2.090 2.158 . 0 0 "[ . 1 . 2]" 2
2070 2 43 VAL HA 2 44 THR MG 4.300 . 4.300 3.687 3.532 3.874 . 0 0 "[ . 1 . 2]" 2
2071 2 43 VAL HA 2 49 GLN H 4.880 . 4.880 4.546 4.211 4.738 . 0 0 "[ . 1 . 2]" 2
2072 2 43 VAL HA 2 49 GLN HA 4.120 . 4.120 2.271 2.048 2.479 . 0 0 "[ . 1 . 2]" 2
2073 2 43 VAL HA 2 50 VAL H 4.350 . 4.350 3.725 3.483 4.049 . 0 0 "[ . 1 . 2]" 2
2074 2 43 VAL HB 2 44 THR H 4.450 . 4.450 4.273 4.199 4.360 . 0 0 "[ . 1 . 2]" 2
2075 2 43 VAL MG1 2 44 THR H 3.210 . 3.210 2.931 2.798 3.052 . 0 0 "[ . 1 . 2]" 2
2076 2 43 VAL MG1 2 45 ARG H 5.200 . 5.200 5.120 5.006 5.246 0.046 7 0 "[ . 1 . 2]" 2
2077 2 43 VAL MG1 2 46 ARG H 5.170 . 5.170 4.954 4.662 5.186 0.016 16 0 "[ . 1 . 2]" 2
2078 2 43 VAL MG1 2 47 ASN H 3.910 . 3.910 3.496 3.287 3.771 . 0 0 "[ . 1 . 2]" 2
2079 2 43 VAL MG1 2 47 ASN HA 3.160 . 3.160 2.378 2.128 2.894 . 0 0 "[ . 1 . 2]" 2
2080 2 43 VAL MG1 2 47 ASN HB2 5.410 . 5.410 4.769 4.467 5.303 . 0 0 "[ . 1 . 2]" 2
2081 2 43 VAL MG1 2 47 ASN HB3 4.870 . 4.870 3.922 3.513 4.558 . 0 0 "[ . 1 . 2]" 2
2082 2 43 VAL MG1 2 47 ASN QD 5.340 . 5.340 4.888 4.401 5.361 0.021 15 0 "[ . 1 . 2]" 2
2083 2 43 VAL MG1 2 48 ARG H 3.940 . 3.940 3.809 3.488 4.057 0.117 4 0 "[ . 1 . 2]" 2
2084 2 43 VAL MG1 2 49 GLN HA 4.420 . 4.420 3.759 3.603 3.904 . 0 0 "[ . 1 . 2]" 2
2085 2 43 VAL MG1 2 49 GLN QB 4.360 . 4.360 4.063 3.310 4.547 0.187 7 0 "[ . 1 . 2]" 2
2086 2 43 VAL MG1 2 49 GLN QG 5.500 . 5.500 3.437 2.279 4.854 . 0 0 "[ . 1 . 2]" 2
2087 2 43 VAL MG2 2 44 THR H 4.160 . 4.160 4.114 3.969 4.218 0.058 3 0 "[ . 1 . 2]" 2
2088 2 43 VAL MG2 2 49 GLN HA 3.600 . 3.600 3.315 2.878 3.592 . 0 0 "[ . 1 . 2]" 2
2089 2 43 VAL MG2 2 49 GLN QG 3.850 . 3.850 2.813 1.937 3.993 0.143 8 0 "[ . 1 . 2]" 2
2090 2 44 THR H 2 44 THR MG 3.080 . 3.080 2.233 2.121 2.369 . 0 0 "[ . 1 . 2]" 2
2091 2 44 THR H 2 45 ARG H 4.790 . 4.790 4.571 4.541 4.604 . 0 0 "[ . 1 . 2]" 2
2092 2 44 THR H 2 46 ARG H 4.980 . 4.980 4.497 4.221 4.683 . 0 0 "[ . 1 . 2]" 2
2093 2 44 THR H 2 47 ASN H 4.650 . 4.650 4.162 4.005 4.323 . 0 0 "[ . 1 . 2]" 2
2094 2 44 THR H 2 47 ASN HA 4.540 . 4.540 4.182 3.897 4.572 0.032 13 0 "[ . 1 . 2]" 2
2095 2 44 THR H 2 48 ARG H 3.520 . 3.520 3.236 3.094 3.465 . 0 0 "[ . 1 . 2]" 2
2096 2 44 THR H 2 49 GLN HA 4.140 . 4.140 3.175 3.000 3.414 . 0 0 "[ . 1 . 2]" 2
2097 2 44 THR HA 2 44 THR MG 3.340 . 3.340 2.347 2.300 2.375 . 0 0 "[ . 1 . 2]" 2
2098 2 44 THR HA 2 45 ARG H 3.320 . 3.320 2.489 2.432 2.573 . 0 0 "[ . 1 . 2]" 2
2099 2 44 THR HA 2 45 ARG HA 4.640 . 4.640 4.331 4.300 4.364 . 0 0 "[ . 1 . 2]" 2
2100 2 44 THR HA 2 45 ARG QB 4.810 . 4.810 4.733 4.610 4.885 0.075 12 0 "[ . 1 . 2]" 2
2101 2 44 THR HA 2 45 ARG QG 4.860 . 4.860 3.872 3.706 4.036 . 0 0 "[ . 1 . 2]" 2
2102 2 44 THR HA 2 46 ARG H 4.290 . 4.290 3.996 3.862 4.118 . 0 0 "[ . 1 . 2]" 2
2103 2 44 THR HB 2 45 ARG H 3.220 . 3.220 2.189 2.031 2.342 . 0 0 "[ . 1 . 2]" 2
2104 2 44 THR HB 2 45 ARG QG 4.630 . 4.630 4.161 3.650 4.408 . 0 0 "[ . 1 . 2]" 2
2105 2 44 THR HB 2 46 ARG H 3.760 . 3.760 2.541 2.401 2.703 . 0 0 "[ . 1 . 2]" 2
2106 2 44 THR HB 2 46 ARG QB 4.930 . 4.930 3.549 3.271 3.917 . 0 0 "[ . 1 . 2]" 2
2107 2 44 THR HB 2 46 ARG QD 5.500 . 5.500 3.932 2.802 5.511 0.011 12 0 "[ . 1 . 2]" 2
2108 2 44 THR HB 2 47 ASN H 5.210 . 5.210 4.272 4.051 4.532 . 0 0 "[ . 1 . 2]" 2
2109 2 44 THR HB 2 48 ARG H 4.380 . 4.380 4.044 3.848 4.303 . 0 0 "[ . 1 . 2]" 2
2110 2 44 THR HB 2 48 ARG QD 5.500 . 5.500 5.419 4.602 5.681 0.181 17 0 "[ . 1 . 2]" 2
2111 2 44 THR MG 2 45 ARG H 3.890 . 3.890 3.593 3.501 3.666 . 0 0 "[ . 1 . 2]" 2
2112 2 44 THR MG 2 46 ARG H 4.310 . 4.310 3.997 3.888 4.064 . 0 0 "[ . 1 . 2]" 2
2113 2 44 THR MG 2 46 ARG QD 5.470 . 5.470 4.406 3.524 5.260 . 0 0 "[ . 1 . 2]" 2
2114 2 44 THR MG 2 47 ASN H 5.170 . 5.170 4.878 4.780 5.005 . 0 0 "[ . 1 . 2]" 2
2115 2 44 THR MG 2 48 ARG H 3.730 . 3.730 3.834 3.736 3.903 0.173 15 0 "[ . 1 . 2]" 2
2116 2 44 THR MG 2 50 VAL H 4.610 . 4.610 4.229 3.428 4.633 0.023 7 0 "[ . 1 . 2]" 2
2117 2 44 THR MG 2 50 VAL HB 4.750 . 4.750 3.626 2.986 4.108 . 0 0 "[ . 1 . 2]" 2
2118 2 45 ARG H 2 45 ARG QB 3.140 . 3.140 2.464 2.337 2.618 . 0 0 "[ . 1 . 2]" 2
2119 2 45 ARG H 2 45 ARG QD 3.920 . 3.920 3.457 3.047 3.748 . 0 0 "[ . 1 . 2]" 2
2120 2 45 ARG H 2 45 ARG QG 3.120 . 3.120 2.226 1.993 2.399 . 0 0 "[ . 1 . 2]" 2
2121 2 45 ARG H 2 46 ARG H 3.460 . 3.460 2.530 2.438 2.657 . 0 0 "[ . 1 . 2]" 2
2122 2 45 ARG H 2 46 ARG HA 5.500 . 5.500 5.158 5.068 5.214 . 0 0 "[ . 1 . 2]" 2
2123 2 45 ARG H 2 47 ASN H 4.440 . 4.440 4.065 3.897 4.258 . 0 0 "[ . 1 . 2]" 2
2124 2 45 ARG H 2 48 ARG H 5.230 . 5.230 5.070 4.919 5.209 . 0 0 "[ . 1 . 2]" 2
2125 2 45 ARG HA 2 45 ARG QD 3.530 . 3.530 2.107 1.982 2.241 . 0 0 "[ . 1 . 2]" 2
2126 2 45 ARG HA 2 45 ARG QG 3.540 . 3.540 2.952 2.799 3.128 . 0 0 "[ . 1 . 2]" 2
2127 2 45 ARG HA 2 47 ASN H 3.880 . 3.880 3.380 3.259 3.476 . 0 0 "[ . 1 . 2]" 2
2128 2 45 ARG HA 2 48 ARG H 5.490 . 5.490 5.585 5.467 5.711 0.221 11 0 "[ . 1 . 2]" 2
2129 2 45 ARG QB 2 45 ARG HE 4.330 . 4.330 2.950 1.844 4.165 . 0 0 "[ . 1 . 2]" 2
2130 2 45 ARG QB 2 45 ARG QD 2.860 . 2.860 2.583 2.299 2.874 0.014 20 0 "[ . 1 . 2]" 2
2131 2 45 ARG QB 2 46 ARG H 3.550 . 3.550 3.091 2.947 3.299 . 0 0 "[ . 1 . 2]" 2
2132 2 45 ARG QB 2 47 ASN H 4.540 . 4.540 4.426 4.334 4.593 0.053 18 0 "[ . 1 . 2]" 2
2133 2 45 ARG HE 2 45 ARG QG 3.890 . 3.890 2.561 2.242 3.051 . 0 0 "[ . 1 . 2]" 2
2134 2 46 ARG H 2 46 ARG HB2 3.700 . 3.700 2.467 2.307 2.845 . 0 0 "[ . 1 . 2]" 2
2135 2 46 ARG H 2 46 ARG HB3 3.700 . 3.700 3.394 2.434 3.691 . 0 0 "[ . 1 . 2]" 2
2136 2 46 ARG H 2 46 ARG QB 2.860 . 2.860 2.365 2.230 2.570 . 0 0 "[ . 1 . 2]" 2
2137 2 46 ARG H 2 46 ARG QD 4.570 . 4.570 3.296 2.195 4.601 0.031 16 0 "[ . 1 . 2]" 2
2138 2 46 ARG H 2 47 ASN H 3.170 . 3.170 2.412 2.281 2.531 . 0 0 "[ . 1 . 2]" 2
2139 2 46 ARG H 2 47 ASN HA 4.880 . 4.880 4.557 4.400 4.687 . 0 0 "[ . 1 . 2]" 2
2140 2 46 ARG H 2 47 ASN HB2 5.500 . 5.500 5.446 5.310 5.542 0.042 20 0 "[ . 1 . 2]" 2
2141 2 46 ARG H 2 48 ARG H 3.710 . 3.710 3.275 3.015 3.426 . 0 0 "[ . 1 . 2]" 2
2142 2 46 ARG HA 2 46 ARG QD 4.130 . 4.130 3.525 2.684 4.239 0.109 16 0 "[ . 1 . 2]" 2
2143 2 46 ARG HA 2 47 ASN H 3.460 . 3.460 3.169 3.069 3.277 . 0 0 "[ . 1 . 2]" 2
2144 2 46 ARG HA 2 47 ASN HB2 4.650 . 4.650 4.255 4.143 4.412 . 0 0 "[ . 1 . 2]" 2
2145 2 46 ARG HA 2 47 ASN QD 3.780 . 3.780 3.496 3.112 4.031 0.251 5 0 "[ . 1 . 2]" 2
2146 2 46 ARG HB2 2 46 ARG HE 4.710 . 4.710 4.120 2.130 4.545 . 0 0 "[ . 1 . 2]" 2
2147 2 46 ARG HB2 2 46 ARG QD 3.300 . 3.300 2.379 2.255 2.941 . 0 0 "[ . 1 . 2]" 2
2148 2 46 ARG HB2 2 47 ASN H 4.510 . 4.510 3.826 3.479 4.397 . 0 0 "[ . 1 . 2]" 2
2149 2 46 ARG HB3 2 46 ARG HE 4.710 . 4.710 4.215 2.010 4.717 0.007 8 0 "[ . 1 . 2]" 2
2150 2 46 ARG HB3 2 46 ARG QD 3.300 . 3.300 2.843 2.266 3.319 0.019 14 0 "[ . 1 . 2]" 2
2151 2 46 ARG HB3 2 47 ASN H 4.510 . 4.510 4.149 3.443 4.401 . 0 0 "[ . 1 . 2]" 2
2152 2 46 ARG QB 2 46 ARG HE 3.980 . 3.980 3.652 1.991 4.055 0.075 18 0 "[ . 1 . 2]" 2
2153 2 46 ARG QB 2 46 ARG QD 2.520 . 2.520 2.212 2.067 2.331 . 0 0 "[ . 1 . 2]" 2
2154 2 46 ARG QB 2 47 ASN H 3.760 . 3.760 3.480 3.305 3.626 . 0 0 "[ . 1 . 2]" 2
2155 2 46 ARG QB 2 48 ARG H 3.460 . 3.460 2.936 2.537 3.199 . 0 0 "[ . 1 . 2]" 2
2156 2 46 ARG QD 2 48 ARG H 4.870 . 4.870 4.706 4.125 5.003 0.133 11 0 "[ . 1 . 2]" 2
2157 2 47 ASN H 2 47 ASN HA 2.750 . 2.750 2.252 2.235 2.262 . 0 0 "[ . 1 . 2]" 2
2158 2 47 ASN H 2 47 ASN HB2 3.510 . 3.510 3.540 3.461 3.580 0.070 12 0 "[ . 1 . 2]" 2
2159 2 47 ASN H 2 47 ASN HB3 4.110 . 4.110 4.108 4.072 4.135 0.025 16 0 "[ . 1 . 2]" 2
2160 2 47 ASN H 2 47 ASN HD21 4.720 . 4.720 3.787 3.327 4.578 . 0 0 "[ . 1 . 2]" 2
2161 2 47 ASN H 2 47 ASN HD22 4.720 . 4.720 4.392 4.164 4.733 0.013 12 0 "[ . 1 . 2]" 2
2162 2 47 ASN H 2 48 ARG H 3.230 . 3.230 2.562 2.466 2.647 . 0 0 "[ . 1 . 2]" 2
2163 2 47 ASN HA 2 47 ASN HD21 4.610 . 4.610 3.983 3.677 4.390 . 0 0 "[ . 1 . 2]" 2
2164 2 47 ASN HA 2 47 ASN HD22 4.610 . 4.610 4.366 4.126 4.639 0.029 4 0 "[ . 1 . 2]" 2
2165 2 47 ASN HA 2 47 ASN QD 4.060 . 4.060 3.690 3.436 4.011 . 0 0 "[ . 1 . 2]" 2
2166 2 47 ASN HA 2 48 ARG H 3.320 . 3.320 3.030 2.970 3.122 . 0 0 "[ . 1 . 2]" 2
2167 2 47 ASN HB2 2 47 ASN HD22 3.760 . 3.760 3.462 3.425 3.505 . 0 0 "[ . 1 . 2]" 2
2168 2 47 ASN HB2 2 47 ASN QD 3.010 . 3.010 2.170 2.091 2.248 . 0 0 "[ . 1 . 2]" 2
2169 2 47 ASN HB2 2 48 ARG H 4.340 . 4.340 3.952 3.809 4.068 . 0 0 "[ . 1 . 2]" 2
2170 2 47 ASN HB2 2 48 ARG HA 5.500 . 5.500 4.800 4.652 5.009 . 0 0 "[ . 1 . 2]" 2
2171 2 47 ASN HB3 2 47 ASN QD 3.460 . 3.460 3.178 2.936 3.300 . 0 0 "[ . 1 . 2]" 2
2172 2 47 ASN HB3 2 48 ARG H 4.440 . 4.440 4.384 4.315 4.433 . 0 0 "[ . 1 . 2]" 2
2173 2 47 ASN HB3 2 48 ARG HA 4.770 . 4.770 4.717 4.566 4.845 0.075 5 0 "[ . 1 . 2]" 2
2174 2 48 ARG H 2 48 ARG QB 3.760 . 3.760 2.340 2.229 2.423 . 0 0 "[ . 1 . 2]" 2
2175 2 48 ARG H 2 48 ARG QD 5.240 . 5.240 4.478 4.184 4.801 . 0 0 "[ . 1 . 2]" 2
2176 2 48 ARG H 2 48 ARG QG 4.170 . 4.170 4.034 3.950 4.173 0.003 11 0 "[ . 1 . 2]" 2
2177 2 48 ARG H 2 49 GLN H 4.530 . 4.530 4.435 4.240 4.559 0.029 20 0 "[ . 1 . 2]" 2
2178 2 48 ARG HA 2 48 ARG QG 4.000 . 4.000 2.426 2.176 2.567 . 0 0 "[ . 1 . 2]" 2
2179 2 48 ARG HA 2 49 GLN H 2.920 . 2.920 2.181 2.118 2.261 . 0 0 "[ . 1 . 2]" 2
2180 2 48 ARG QB 2 49 GLN H 4.480 . 4.480 3.708 3.525 3.897 . 0 0 "[ . 1 . 2]" 2
2181 2 48 ARG QG 2 49 GLN H 3.780 . 3.780 2.785 2.213 3.758 . 0 0 "[ . 1 . 2]" 2
2182 2 49 GLN H 2 49 GLN HB2 3.790 . 3.790 2.984 2.436 3.662 . 0 0 "[ . 1 . 2]" 2
2183 2 49 GLN H 2 49 GLN HB3 3.790 . 3.790 3.407 2.833 3.714 . 0 0 "[ . 1 . 2]" 2
2184 2 49 GLN H 2 49 GLN HE21 5.500 . 5.500 4.806 4.301 4.990 . 0 0 "[ . 1 . 2]" 2
2185 2 49 GLN H 2 49 GLN QB 3.260 . 3.260 2.665 2.399 2.973 . 0 0 "[ . 1 . 2]" 2
2186 2 49 GLN H 2 49 GLN QG 4.120 . 4.120 2.192 1.822 2.589 . 0 0 "[ . 1 . 2]" 2
2187 2 49 GLN H 2 50 VAL H 4.810 . 4.810 4.522 4.410 4.588 . 0 0 "[ . 1 . 2]" 2
2188 2 49 GLN HA 2 49 GLN HE21 4.600 . 4.600 4.068 3.797 4.330 . 0 0 "[ . 1 . 2]" 2
2189 2 49 GLN HA 2 50 VAL H 3.100 . 3.100 2.208 2.086 2.386 . 0 0 "[ . 1 . 2]" 2
2190 2 49 GLN HA 2 50 VAL HB 4.400 . 4.400 4.316 4.221 4.434 0.034 16 0 "[ . 1 . 2]" 2
2191 2 49 GLN HB2 2 49 GLN HE21 4.410 . 4.410 2.280 1.683 2.887 . 0 0 "[ . 1 . 2]" 2
2192 2 49 GLN HB3 2 49 GLN HE21 4.410 . 4.410 2.097 1.685 2.760 . 0 0 "[ . 1 . 2]" 2
2193 2 49 GLN HE21 2 50 VAL QG 5.380 . 5.380 5.627 5.548 5.857 0.477 10 0 "[ . 1 . 2]" 2
2194 2 49 GLN QB 2 49 GLN HE21 3.800 . 3.800 1.721 1.669 1.778 . 0 0 "[ . 1 . 2]" 2
2195 2 49 GLN QB 2 49 GLN HE22 4.210 . 4.210 3.159 3.103 3.190 . 0 0 "[ . 1 . 2]" 2
2196 2 49 GLN QB 2 50 VAL H 4.200 . 4.200 2.737 2.414 3.195 . 0 0 "[ . 1 . 2]" 2
2197 2 49 GLN QG 2 50 VAL H 4.360 . 4.360 4.071 3.865 4.323 . 0 0 "[ . 1 . 2]" 2
2198 2 49 GLN QG 2 50 VAL QG 5.440 . 5.440 5.032 4.905 5.187 . 0 0 "[ . 1 . 2]" 2
2199 2 50 VAL H 2 50 VAL HB 3.290 . 3.290 3.126 2.830 3.341 0.051 7 0 "[ . 1 . 2]" 2
2200 2 50 VAL H 2 50 VAL MG1 3.960 . 3.960 2.221 1.947 2.462 . 0 0 "[ . 1 . 2]" 2
2201 2 50 VAL H 2 50 VAL MG2 3.960 . 3.960 3.930 3.836 3.994 0.034 7 0 "[ . 1 . 2]" 2
2202 2 50 VAL H 2 50 VAL QG 3.040 . 3.040 2.209 1.941 2.441 . 0 0 "[ . 1 . 2]" 2
2203 2 50 VAL H 2 51 CYS H 4.630 . 4.630 4.371 4.189 4.504 . 0 0 "[ . 1 . 2]" 2
2204 2 50 VAL HA 2 50 VAL MG1 3.380 . 3.380 3.207 3.191 3.214 . 0 0 "[ . 1 . 2]" 2
2205 2 50 VAL HA 2 50 VAL MG2 3.380 . 3.380 2.347 2.310 2.386 . 0 0 "[ . 1 . 2]" 2
2206 2 50 VAL HA 2 50 VAL QG 2.950 . 2.950 2.292 2.259 2.325 . 0 0 "[ . 1 . 2]" 2
2207 2 50 VAL HA 2 51 CYS H 2.740 . 2.740 2.312 2.183 2.501 . 0 0 "[ . 1 . 2]" 2
2208 2 50 VAL HB 2 51 CYS H 4.320 . 4.320 4.098 3.955 4.171 . 0 0 "[ . 1 . 2]" 2
2209 2 50 VAL MG1 2 51 CYS H 3.960 . 3.960 3.602 3.182 3.865 . 0 0 "[ . 1 . 2]" 2
2210 2 50 VAL MG2 2 51 CYS H 3.960 . 3.960 2.241 1.816 2.514 . 0 0 "[ . 1 . 2]" 2
2211 2 50 VAL QG 2 51 CYS H 3.100 . 3.100 2.220 1.806 2.483 . 0 0 "[ . 1 . 2]" 2
2212 2 51 CYS H 2 51 CYS HB2 3.880 . 3.880 2.501 2.366 2.586 . 0 0 "[ . 1 . 2]" 2
2213 2 51 CYS H 2 51 CYS HB3 3.880 . 3.880 3.676 3.597 3.732 . 0 0 "[ . 1 . 2]" 2
2214 2 51 CYS H 2 51 CYS QB 3.260 . 3.260 2.462 2.335 2.540 . 0 0 "[ . 1 . 2]" 2
2215 2 51 CYS H 2 52 ALA H 4.590 . 4.590 4.495 4.415 4.573 . 0 0 "[ . 1 . 2]" 2
2216 2 51 CYS HA 2 52 ALA H 2.990 . 2.990 2.209 2.112 2.319 . 0 0 "[ . 1 . 2]" 2
2217 2 51 CYS HB2 2 52 ALA H 4.450 . 4.450 3.963 3.638 4.172 . 0 0 "[ . 1 . 2]" 2
2218 2 51 CYS HB3 2 52 ALA H 4.450 . 4.450 2.855 2.391 3.151 . 0 0 "[ . 1 . 2]" 2
2219 2 52 ALA H 2 52 ALA MB 3.200 . 3.200 2.730 2.613 2.867 . 0 0 "[ . 1 . 2]" 2
2220 2 52 ALA H 2 53 ASN H 4.950 . 4.950 4.272 4.192 4.388 . 0 0 "[ . 1 . 2]" 2
2221 2 52 ALA H 2 53 ASN HA 5.500 . 5.500 4.620 4.486 4.796 . 0 0 "[ . 1 . 2]" 2
2222 2 52 ALA HA 2 53 ASN H 3.190 . 3.190 2.248 2.169 2.401 . 0 0 "[ . 1 . 2]" 2
2223 2 52 ALA MB 2 53 ASN H 3.260 . 3.260 2.681 2.326 2.971 . 0 0 "[ . 1 . 2]" 2
2224 2 52 ALA MB 2 53 ASN HA 4.650 . 4.650 4.291 4.220 4.388 . 0 0 "[ . 1 . 2]" 2
2225 2 52 ALA MB 2 56 LYS QB 4.220 . 4.220 4.038 3.785 4.336 0.116 19 0 "[ . 1 . 2]" 2
2226 2 52 ALA MB 2 59 VAL H 5.370 . 5.370 5.131 4.858 5.417 0.047 3 0 "[ . 1 . 2]" 2
2227 2 52 ALA MB 2 59 VAL HA 4.850 . 4.850 4.428 4.159 4.690 . 0 0 "[ . 1 . 2]" 2
2228 2 52 ALA MB 2 59 VAL MG1 3.460 . 3.460 2.991 2.583 3.386 . 0 0 "[ . 1 . 2]" 2
2229 2 52 ALA MB 2 59 VAL MG2 2.910 . 2.910 2.189 2.039 2.402 . 0 0 "[ . 1 . 2]" 2
2230 2 53 ASN H 2 53 ASN HB2 3.490 . 3.490 2.447 2.179 2.617 . 0 0 "[ . 1 . 2]" 2
2231 2 53 ASN H 2 53 ASN HB3 3.690 . 3.690 3.603 3.356 3.643 . 0 0 "[ . 1 . 2]" 2
2232 2 53 ASN H 2 53 ASN QD 4.310 . 4.310 3.681 2.537 4.314 0.004 2 0 "[ . 1 . 2]" 2
2233 2 53 ASN H 2 56 LYS H 5.300 . 5.300 5.173 4.757 5.352 0.052 13 0 "[ . 1 . 2]" 2
2234 2 53 ASN H 2 59 VAL MG1 5.140 . 5.140 4.723 4.103 5.111 . 0 0 "[ . 1 . 2]" 2
2235 2 53 ASN H 2 59 VAL MG2 3.710 . 3.710 3.628 3.353 3.861 0.151 20 0 "[ . 1 . 2]" 2
2236 2 53 ASN HB2 2 56 LYS H 4.390 . 4.390 4.205 3.907 4.514 0.124 5 0 "[ . 1 . 2]" 2
2237 2 53 ASN HB2 2 56 LYS QG 4.560 . 4.560 3.317 2.253 3.882 . 0 0 "[ . 1 . 2]" 2
2238 2 53 ASN HB3 2 54 PRO QD 5.500 . 5.500 2.630 2.361 2.972 . 0 0 "[ . 1 . 2]" 2
2239 2 53 ASN HB3 2 56 LYS QG 4.910 . 4.910 4.394 3.260 4.942 0.032 10 0 "[ . 1 . 2]" 2
2240 2 54 PRO HA 2 56 LYS H 4.080 . 4.080 3.451 3.250 3.755 . 0 0 "[ . 1 . 2]" 2
2241 2 54 PRO HA 2 59 VAL HB 3.620 . 3.620 2.828 2.397 3.277 . 0 0 "[ . 1 . 2]" 2
2242 2 54 PRO HA 2 59 VAL MG1 3.300 . 3.300 2.016 1.872 2.231 . 0 0 "[ . 1 . 2]" 2
2243 2 54 PRO HA 2 59 VAL MG2 4.250 . 4.250 3.390 2.952 3.814 . 0 0 "[ . 1 . 2]" 2
2244 2 54 PRO HA 2 60 GLN HE21 3.970 . 3.970 2.878 2.667 3.303 . 0 0 "[ . 1 . 2]" 2
2245 2 54 PRO HA 2 60 GLN HE22 4.510 . 4.510 3.570 2.757 4.300 . 0 0 "[ . 1 . 2]" 2
2246 2 54 PRO QB 2 55 GLU H 3.740 . 3.740 3.684 3.508 3.809 0.069 10 0 "[ . 1 . 2]" 2
2247 2 54 PRO QB 2 55 GLU HA 4.290 . 4.290 4.149 4.007 4.238 . 0 0 "[ . 1 . 2]" 2
2248 2 54 PRO QB 2 55 GLU QG 4.440 . 4.440 4.125 3.728 4.494 0.054 20 0 "[ . 1 . 2]" 2
2249 2 54 PRO QB 2 59 VAL MG1 3.670 . 3.670 3.149 2.853 3.490 . 0 0 "[ . 1 . 2]" 2
2250 2 54 PRO QB 2 60 GLN HA 5.440 . 5.440 5.194 4.772 5.480 0.040 12 0 "[ . 1 . 2]" 2
2251 2 54 PRO QB 2 60 GLN HE21 3.530 . 3.530 3.242 2.910 3.574 0.044 10 0 "[ . 1 . 2]" 2
2252 2 54 PRO QB 2 60 GLN HE22 3.640 . 3.640 2.715 2.136 3.438 . 0 0 "[ . 1 . 2]" 2
2253 2 54 PRO QB 2 63 ILE MD 5.300 . 5.300 3.079 2.249 3.524 . 0 0 "[ . 1 . 2]" 2
2254 2 54 PRO QB 2 63 ILE MG 5.500 . 5.500 5.136 4.221 5.520 0.020 12 0 "[ . 1 . 2]" 2
2255 2 54 PRO QG 2 55 GLU H 3.940 . 3.940 3.114 2.849 3.331 . 0 0 "[ . 1 . 2]" 2
2256 2 54 PRO QG 2 56 LYS H 4.970 . 4.970 5.036 4.931 5.137 0.167 10 0 "[ . 1 . 2]" 2
2257 2 55 GLU H 2 55 GLU HG2 3.810 . 3.810 3.333 2.304 3.690 . 0 0 "[ . 1 . 2]" 2
2258 2 55 GLU H 2 55 GLU HG3 3.810 . 3.810 2.518 2.038 3.808 . 0 0 "[ . 1 . 2]" 2
2259 2 55 GLU H 2 55 GLU QB 2.950 . 2.950 2.449 2.364 2.542 . 0 0 "[ . 1 . 2]" 2
2260 2 55 GLU H 2 55 GLU QG 3.180 . 3.180 2.331 2.020 2.625 . 0 0 "[ . 1 . 2]" 2
2261 2 55 GLU H 2 56 LYS H 3.000 . 3.000 2.463 2.313 2.627 . 0 0 "[ . 1 . 2]" 2
2262 2 55 GLU H 2 56 LYS HA 5.380 . 5.380 5.013 4.925 5.162 . 0 0 "[ . 1 . 2]" 2
2263 2 55 GLU H 2 56 LYS QB 4.580 . 4.580 4.433 4.195 4.631 0.051 5 0 "[ . 1 . 2]" 2
2264 2 55 GLU H 2 56 LYS QG 5.210 . 5.210 3.942 3.537 4.535 . 0 0 "[ . 1 . 2]" 2
2265 2 55 GLU H 2 59 VAL MG1 5.150 . 5.150 4.510 4.155 4.702 . 0 0 "[ . 1 . 2]" 2
2266 2 55 GLU HA 2 55 GLU HG2 3.620 . 3.620 2.585 2.314 3.124 . 0 0 "[ . 1 . 2]" 2
2267 2 55 GLU HA 2 55 GLU HG3 3.620 . 3.620 3.218 2.968 3.745 0.125 10 0 "[ . 1 . 2]" 2
2268 2 55 GLU HA 2 60 GLN HE22 5.330 . 5.330 5.414 5.194 5.485 0.155 18 0 "[ . 1 . 2]" 2
2269 2 55 GLU QB 2 56 LYS H 4.180 . 4.180 3.266 2.945 3.556 . 0 0 "[ . 1 . 2]" 2
2270 2 55 GLU QB 2 56 LYS HA 4.450 . 4.450 4.115 3.903 4.239 . 0 0 "[ . 1 . 2]" 2
2271 2 55 GLU QG 2 56 LYS H 5.210 . 5.210 4.249 3.902 4.407 . 0 0 "[ . 1 . 2]" 2
2272 2 56 LYS H 2 56 LYS QB 3.000 . 3.000 2.399 2.220 2.525 . 0 0 "[ . 1 . 2]" 2
2273 2 56 LYS H 2 56 LYS QG 3.350 . 3.350 2.688 2.428 3.175 . 0 0 "[ . 1 . 2]" 2
2274 2 56 LYS H 2 57 LYS H 4.510 . 4.510 4.515 4.462 4.551 0.041 5 0 "[ . 1 . 2]" 2
2275 2 56 LYS H 2 58 TRP H 5.500 . 5.500 5.511 5.315 5.637 0.137 15 0 "[ . 1 . 2]" 2
2276 2 56 LYS H 2 59 VAL H 4.700 . 4.700 4.459 4.273 4.602 . 0 0 "[ . 1 . 2]" 2
2277 2 56 LYS H 2 59 VAL HB 3.560 . 3.560 3.218 2.847 3.529 . 0 0 "[ . 1 . 2]" 2
2278 2 56 LYS H 2 59 VAL MG1 4.600 . 4.600 4.062 3.708 4.396 . 0 0 "[ . 1 . 2]" 2
2279 2 56 LYS H 2 59 VAL MG2 3.790 . 3.790 3.274 3.164 3.520 . 0 0 "[ . 1 . 2]" 2
2280 2 56 LYS H 2 60 GLN HG2 5.500 . 5.500 4.252 3.767 4.660 . 0 0 "[ . 1 . 2]" 2
2281 2 56 LYS HA 2 57 LYS H 2.650 . 2.650 2.180 2.147 2.227 . 0 0 "[ . 1 . 2]" 2
2282 2 56 LYS HA 2 57 LYS HA 4.410 . 4.410 4.283 4.235 4.330 . 0 0 "[ . 1 . 2]" 2
2283 2 56 LYS HA 2 57 LYS QB 4.160 . 4.160 4.092 4.037 4.155 . 0 0 "[ . 1 . 2]" 2
2284 2 56 LYS HA 2 59 VAL MG2 4.480 . 4.480 4.452 4.360 4.499 0.019 14 0 "[ . 1 . 2]" 2
2285 2 56 LYS QB 2 57 LYS H 4.470 . 4.470 2.987 2.824 3.146 . 0 0 "[ . 1 . 2]" 2
2286 2 56 LYS QB 2 58 TRP H 3.370 . 3.370 2.871 2.700 3.045 . 0 0 "[ . 1 . 2]" 2
2287 2 56 LYS QB 2 58 TRP HD1 4.930 . 4.930 3.587 2.501 5.061 0.131 14 0 "[ . 1 . 2]" 2
2288 2 56 LYS QB 2 59 VAL H 3.910 . 3.910 2.717 2.530 2.906 . 0 0 "[ . 1 . 2]" 2
2289 2 56 LYS QB 2 59 VAL MG2 3.460 . 3.460 1.951 1.858 2.078 . 0 0 "[ . 1 . 2]" 2
2290 2 56 LYS QB 2 60 GLN H 4.400 . 4.400 4.288 4.041 4.461 0.061 6 0 "[ . 1 . 2]" 2
2291 2 56 LYS QG 2 57 LYS H 4.550 . 4.550 4.361 3.928 4.630 0.080 18 0 "[ . 1 . 2]" 2
2292 2 56 LYS QG 2 58 TRP H 4.960 . 4.960 4.931 4.739 5.066 0.106 11 0 "[ . 1 . 2]" 2
2293 2 57 LYS H 2 57 LYS QB 2.640 . 2.640 2.246 2.076 2.297 . 0 0 "[ . 1 . 2]" 2
2294 2 57 LYS H 2 57 LYS QG 4.350 . 4.350 3.997 3.743 4.071 . 0 0 "[ . 1 . 2]" 2
2295 2 57 LYS H 2 58 TRP QB 5.290 . 5.290 4.772 4.632 5.023 . 0 0 "[ . 1 . 2]" 2
2296 2 57 LYS H 2 59 VAL MG2 5.370 . 5.370 4.967 4.816 5.101 . 0 0 "[ . 1 . 2]" 2
2297 2 57 LYS HA 2 57 LYS HG2 3.940 . 3.940 3.403 2.890 3.792 . 0 0 "[ . 1 . 2]" 2
2298 2 57 LYS HA 2 57 LYS HG3 3.940 . 3.940 2.745 2.422 3.209 . 0 0 "[ . 1 . 2]" 2
2299 2 57 LYS HA 2 57 LYS QG 3.290 . 3.290 2.631 2.339 3.041 . 0 0 "[ . 1 . 2]" 2
2300 2 57 LYS HA 2 59 VAL H 4.830 . 4.830 4.171 3.983 4.334 . 0 0 "[ . 1 . 2]" 2
2301 2 57 LYS HA 2 60 GLN HG2 4.270 . 4.270 2.943 2.418 3.584 . 0 0 "[ . 1 . 2]" 2
2302 2 57 LYS HA 2 60 GLN QB 3.670 . 3.670 2.580 2.217 2.776 . 0 0 "[ . 1 . 2]" 2
2303 2 57 LYS QB 2 58 TRP H 2.940 . 2.940 2.729 2.514 2.951 0.011 5 0 "[ . 1 . 2]" 2
2304 2 57 LYS QB 2 58 TRP HA 4.550 . 4.550 4.117 3.732 4.289 . 0 0 "[ . 1 . 2]" 2
2305 2 57 LYS QB 2 58 TRP QB 5.180 . 5.180 4.637 4.327 4.893 . 0 0 "[ . 1 . 2]" 2
2306 2 57 LYS QB 2 59 VAL H 4.890 . 4.890 4.733 4.586 4.892 0.002 5 0 "[ . 1 . 2]" 2
2307 2 57 LYS QG 2 58 TRP H 4.640 . 4.640 3.837 3.423 4.591 . 0 0 "[ . 1 . 2]" 2
2308 2 57 LYS QG 2 58 TRP HA 5.110 . 5.110 3.841 3.227 5.270 0.160 11 0 "[ . 1 . 2]" 2
2309 2 57 LYS QG 2 61 GLU H 4.830 . 4.830 3.942 3.611 4.848 0.018 11 0 "[ . 1 . 2]" 2
2310 2 57 LYS QG 2 61 GLU QG 3.920 . 3.920 2.457 2.174 3.540 . 0 0 "[ . 1 . 2]" 2
2311 2 58 TRP H 2 58 TRP HD1 3.600 . 3.600 2.956 2.408 3.504 . 0 0 "[ . 1 . 2]" 2
2312 2 58 TRP H 2 58 TRP QB 3.450 . 3.450 2.450 2.317 2.752 . 0 0 "[ . 1 . 2]" 2
2313 2 58 TRP H 2 59 VAL HA 5.500 . 5.500 5.224 5.147 5.292 . 0 0 "[ . 1 . 2]" 2
2314 2 58 TRP H 2 59 VAL MG2 4.360 . 4.360 3.980 3.863 4.097 . 0 0 "[ . 1 . 2]" 2
2315 2 58 TRP H 2 60 GLN HG2 5.500 . 5.500 5.188 4.890 5.562 0.062 3 0 "[ . 1 . 2]" 2
2316 2 58 TRP H 2 61 GLU QG 5.340 . 5.340 4.413 3.942 4.909 . 0 0 "[ . 1 . 2]" 2
2317 2 58 TRP HA 2 58 TRP HD1 4.770 . 4.770 4.320 2.725 4.727 . 0 0 "[ . 1 . 2]" 2
2318 2 58 TRP HA 2 61 GLU HB2 3.750 . 3.750 2.621 2.408 2.847 . 0 0 "[ . 1 . 2]" 2
2319 2 58 TRP HA 2 61 GLU HB3 4.710 . 4.710 4.190 3.944 4.486 . 0 0 "[ . 1 . 2]" 2
2320 2 58 TRP HA 2 61 GLU QG 4.140 . 4.140 2.841 2.376 3.468 . 0 0 "[ . 1 . 2]" 2
2321 2 58 TRP HA 2 62 TYR QD 4.940 . 4.940 3.558 3.217 4.685 . 0 0 "[ . 1 . 2]" 2
2322 2 58 TRP HB2 2 59 VAL H 4.730 . 4.730 2.678 2.470 2.929 . 0 0 "[ . 1 . 2]" 2
2323 2 58 TRP HB3 2 59 VAL H 4.730 . 4.730 3.654 3.469 3.792 . 0 0 "[ . 1 . 2]" 2
2324 2 58 TRP HD1 2 59 VAL H 5.220 . 5.220 4.668 4.174 5.117 . 0 0 "[ . 1 . 2]" 2
2325 2 59 VAL H 2 59 VAL HB 3.410 . 3.410 2.495 2.411 2.555 . 0 0 "[ . 1 . 2]" 2
2326 2 59 VAL H 2 59 VAL MG1 3.810 . 3.810 3.751 3.735 3.767 . 0 0 "[ . 1 . 2]" 2
2327 2 59 VAL H 2 59 VAL MG2 3.220 . 3.220 2.108 2.006 2.259 . 0 0 "[ . 1 . 2]" 2
2328 2 59 VAL H 2 60 GLN HG2 4.740 . 4.740 4.141 3.934 4.393 . 0 0 "[ . 1 . 2]" 2
2329 2 59 VAL H 2 60 GLN HG3 5.500 . 5.500 5.594 5.531 5.663 0.163 3 0 "[ . 1 . 2]" 2
2330 2 59 VAL H 2 60 GLN QB 4.830 . 4.830 4.551 4.374 4.676 . 0 0 "[ . 1 . 2]" 2
2331 2 59 VAL HA 2 59 VAL MG1 3.360 . 3.360 2.428 2.367 2.501 . 0 0 "[ . 1 . 2]" 2
2332 2 59 VAL HA 2 59 VAL MG2 3.430 . 3.430 2.386 2.336 2.426 . 0 0 "[ . 1 . 2]" 2
2333 2 59 VAL HA 2 60 GLN HA 5.040 . 5.040 4.775 4.738 4.802 . 0 0 "[ . 1 . 2]" 2
2334 2 59 VAL HA 2 62 TYR QB 4.310 . 4.310 2.702 2.531 2.875 . 0 0 "[ . 1 . 2]" 2
2335 2 59 VAL HA 2 63 ILE QG 4.990 . 4.990 3.825 3.630 3.919 . 0 0 "[ . 1 . 2]" 2
2336 2 59 VAL HB 2 60 GLN H 3.230 . 3.230 2.618 2.527 2.672 . 0 0 "[ . 1 . 2]" 2
2337 2 59 VAL HB 2 60 GLN HE21 4.140 . 4.140 3.122 2.532 3.824 . 0 0 "[ . 1 . 2]" 2
2338 2 59 VAL HB 2 60 GLN HE22 5.500 . 5.500 4.740 4.066 5.514 0.014 3 0 "[ . 1 . 2]" 2
2339 2 59 VAL HB 2 60 GLN HG2 3.960 . 3.960 3.284 3.144 3.487 . 0 0 "[ . 1 . 2]" 2
2340 2 59 VAL HB 2 61 GLU H 5.340 . 5.340 4.990 4.888 5.071 . 0 0 "[ . 1 . 2]" 2
2341 2 59 VAL MG1 2 60 GLN H 3.570 . 3.570 3.462 3.349 3.569 . 0 0 "[ . 1 . 2]" 2
2342 2 59 VAL MG1 2 60 GLN HA 4.420 . 4.420 3.487 3.350 3.618 . 0 0 "[ . 1 . 2]" 2
2343 2 59 VAL MG1 2 60 GLN HE21 4.450 . 4.450 2.723 2.405 3.062 . 0 0 "[ . 1 . 2]" 2
2344 2 59 VAL MG1 2 60 GLN HE22 4.700 . 4.700 3.754 3.131 4.294 . 0 0 "[ . 1 . 2]" 2
2345 2 59 VAL MG1 2 60 GLN HG2 4.540 . 4.540 3.986 3.789 4.217 . 0 0 "[ . 1 . 2]" 2
2346 2 59 VAL MG1 2 62 TYR H 4.720 . 4.720 4.742 4.651 4.784 0.064 7 0 "[ . 1 . 2]" 2
2347 2 59 VAL MG1 2 63 ILE H 4.040 . 4.040 3.932 3.868 4.024 . 0 0 "[ . 1 . 2]" 2
2348 2 59 VAL MG1 2 63 ILE MD 3.980 . 3.980 2.122 2.006 2.228 . 0 0 "[ . 1 . 2]" 2
2349 2 59 VAL MG1 2 63 ILE QG 3.690 . 3.690 2.554 2.462 2.776 . 0 0 "[ . 1 . 2]" 2
2350 2 59 VAL MG2 2 60 GLN H 4.010 . 4.010 3.792 3.731 3.883 . 0 0 "[ . 1 . 2]" 2
2351 2 59 VAL MG2 2 61 GLU H 5.500 . 5.500 5.322 5.187 5.420 . 0 0 "[ . 1 . 2]" 2
2352 2 60 GLN H 2 60 GLN HE21 4.530 . 4.530 3.148 2.733 3.534 . 0 0 "[ . 1 . 2]" 2
2353 2 60 GLN H 2 60 GLN HG2 3.160 . 3.160 2.170 1.993 2.389 . 0 0 "[ . 1 . 2]" 2
2354 2 60 GLN H 2 60 GLN HG3 3.670 . 3.670 3.544 3.481 3.616 . 0 0 "[ . 1 . 2]" 2
2355 2 60 GLN H 2 60 GLN QB 2.980 . 2.980 2.448 2.324 2.558 . 0 0 "[ . 1 . 2]" 2
2356 2 60 GLN H 2 61 GLU HA 5.430 . 5.430 5.174 5.138 5.208 . 0 0 "[ . 1 . 2]" 2
2357 2 60 GLN HA 2 60 GLN HE21 4.320 . 4.320 2.481 2.264 2.738 . 0 0 "[ . 1 . 2]" 2
2358 2 60 GLN HA 2 60 GLN HE22 4.620 . 4.620 3.312 3.214 3.405 . 0 0 "[ . 1 . 2]" 2
2359 2 60 GLN HA 2 60 GLN HG2 3.850 . 3.850 3.015 2.836 3.195 . 0 0 "[ . 1 . 2]" 2
2360 2 60 GLN HA 2 60 GLN HG3 3.860 . 3.860 3.787 3.719 3.842 . 0 0 "[ . 1 . 2]" 2
2361 2 60 GLN HA 2 63 ILE HB 3.760 . 3.760 2.488 2.244 2.671 . 0 0 "[ . 1 . 2]" 2
2362 2 60 GLN HA 2 63 ILE MD 4.560 . 4.560 2.804 2.598 3.093 . 0 0 "[ . 1 . 2]" 2
2363 2 60 GLN HA 2 63 ILE QG 4.470 . 4.470 3.681 3.523 3.897 . 0 0 "[ . 1 . 2]" 2
2364 2 60 GLN HA 2 63 ILE MG 4.010 . 4.010 3.773 3.563 3.958 . 0 0 "[ . 1 . 2]" 2
2365 2 60 GLN HE21 2 63 ILE MD 5.170 . 5.170 2.626 2.111 2.993 . 0 0 "[ . 1 . 2]" 2
2366 2 60 GLN HE21 2 63 ILE MG 5.110 . 5.110 4.671 3.901 5.153 0.043 20 0 "[ . 1 . 2]" 2
2367 2 60 GLN HE21 2 60 GLN HG3 3.460 . 3.460 3.457 3.448 3.471 0.011 19 0 "[ . 1 . 2]" 2
2368 2 60 GLN HE22 2 60 GLN HG3 4.040 . 4.040 4.045 4.035 4.056 0.016 3 0 "[ . 1 . 2]" 2
2369 2 60 GLN QB 2 60 GLN HE21 4.080 . 4.080 3.501 3.434 3.549 . 0 0 "[ . 1 . 2]" 2
2370 2 60 GLN QB 2 61 GLU H 3.280 . 3.280 2.528 2.410 2.707 . 0 0 "[ . 1 . 2]" 2
2371 2 60 GLN QB 2 61 GLU HA 4.640 . 4.640 3.853 3.764 3.961 . 0 0 "[ . 1 . 2]" 2
2372 2 60 GLN QB 2 62 TYR H 4.870 . 4.870 4.694 4.602 4.816 . 0 0 "[ . 1 . 2]" 2
2373 2 60 GLN QB 2 63 ILE H 5.460 . 5.460 4.843 4.772 4.925 . 0 0 "[ . 1 . 2]" 2
2374 2 60 GLN QB 2 64 ASN H 4.970 . 4.970 4.522 4.372 4.634 . 0 0 "[ . 1 . 2]" 2
2375 2 61 GLU H 2 61 GLU HB2 3.100 . 3.100 2.445 2.332 2.577 . 0 0 "[ . 1 . 2]" 2
2376 2 61 GLU H 2 61 GLU HB3 3.660 . 3.660 3.563 3.538 3.619 . 0 0 "[ . 1 . 2]" 2
2377 2 61 GLU H 2 61 GLU HG2 3.370 . 3.370 2.261 2.018 3.231 . 0 0 "[ . 1 . 2]" 2
2378 2 61 GLU H 2 61 GLU HG3 3.370 . 3.370 3.484 2.393 3.639 0.269 6 0 "[ . 1 . 2]" 2
2379 2 61 GLU H 2 61 GLU QG 2.950 . 2.950 2.196 2.006 2.366 . 0 0 "[ . 1 . 2]" 2
2380 2 61 GLU H 2 62 TYR QB 4.820 . 4.820 4.548 4.482 4.677 . 0 0 "[ . 1 . 2]" 2
2381 2 61 GLU H 2 62 TYR QD 4.730 . 4.730 4.163 3.965 4.843 0.113 2 0 "[ . 1 . 2]" 2
2382 2 61 GLU HA 2 61 GLU HG2 3.750 . 3.750 2.911 2.424 3.106 . 0 0 "[ . 1 . 2]" 2
2383 2 61 GLU HA 2 61 GLU HG3 3.750 . 3.750 3.713 3.280 3.798 0.048 13 0 "[ . 1 . 2]" 2
2384 2 61 GLU HA 2 61 GLU QG 3.190 . 3.190 2.810 2.364 2.973 . 0 0 "[ . 1 . 2]" 2
2385 2 61 GLU HA 2 62 TYR QD 5.190 . 5.190 5.002 4.583 5.536 0.346 2 0 "[ . 1 . 2]" 2
2386 2 61 GLU HA 2 64 ASN HD21 4.050 . 4.050 1.942 1.537 2.237 . 0 0 "[ . 1 . 2]" 2
2387 2 61 GLU HA 2 64 ASN HD22 3.830 . 3.830 3.181 2.118 3.639 . 0 0 "[ . 1 . 2]" 2
2388 2 61 GLU HA 2 64 ASN QB 3.520 . 3.520 2.973 2.573 3.401 . 0 0 "[ . 1 . 2]" 2
2389 2 61 GLU HB2 2 62 TYR H 3.480 . 3.480 2.501 2.359 2.672 . 0 0 "[ . 1 . 2]" 2
2390 2 61 GLU HB2 2 63 ILE H 5.140 . 5.140 4.888 4.741 5.009 . 0 0 "[ . 1 . 2]" 2
2391 2 61 GLU HB3 2 62 TYR H 3.770 . 3.770 3.531 3.397 3.648 . 0 0 "[ . 1 . 2]" 2
2392 2 61 GLU HB3 2 64 ASN HD21 4.750 . 4.750 3.629 3.466 3.966 . 0 0 "[ . 1 . 2]" 2
2393 2 61 GLU HB3 2 64 ASN QB 5.340 . 5.340 5.162 4.752 5.545 0.205 2 0 "[ . 1 . 2]" 2
2394 2 61 GLU HB3 2 65 TYR H 5.320 . 5.320 4.984 4.812 5.143 . 0 0 "[ . 1 . 2]" 2
2395 2 61 GLU QG 2 62 TYR H 4.510 . 4.510 3.961 3.801 4.137 . 0 0 "[ . 1 . 2]" 2
2396 2 61 GLU QG 2 64 ASN HD22 5.340 . 5.340 5.095 4.044 5.409 0.069 4 0 "[ . 1 . 2]" 2
2397 2 62 TYR H 2 62 TYR QB 3.160 . 3.160 2.290 2.220 2.451 . 0 0 "[ . 1 . 2]" 2
2398 2 62 TYR H 2 62 TYR QD 3.200 . 3.200 2.345 2.172 3.091 . 0 0 "[ . 1 . 2]" 2
2399 2 62 TYR H 2 63 ILE HA 5.380 . 5.380 5.204 5.172 5.240 . 0 0 "[ . 1 . 2]" 2
2400 2 62 TYR H 2 63 ILE HB 4.650 . 4.650 4.627 4.561 4.688 0.038 17 0 "[ . 1 . 2]" 2
2401 2 62 TYR H 2 63 ILE MD 5.410 . 5.410 5.412 5.353 5.448 0.038 6 0 "[ . 1 . 2]" 2
2402 2 62 TYR HA 2 62 TYR QD 3.440 . 3.440 2.823 2.016 3.065 . 0 0 "[ . 1 . 2]" 2
2403 2 62 TYR HA 2 65 TYR HB2 4.090 . 4.090 2.816 2.428 3.717 . 0 0 "[ . 1 . 2]" 2
2404 2 62 TYR HA 2 65 TYR HB3 4.140 . 4.140 3.766 2.488 4.215 0.075 17 0 "[ . 1 . 2]" 2
2405 2 62 TYR HB2 2 63 ILE H 3.880 . 3.880 2.850 2.577 2.979 . 0 0 "[ . 1 . 2]" 2
2406 2 62 TYR HB3 2 63 ILE H 3.880 . 3.880 3.533 3.414 3.805 . 0 0 "[ . 1 . 2]" 2
2407 2 62 TYR QB 2 63 ILE H 3.370 . 3.370 2.734 2.516 2.855 . 0 0 "[ . 1 . 2]" 2
2408 2 62 TYR QD 2 63 ILE H 4.720 . 4.720 4.383 4.296 4.452 . 0 0 "[ . 1 . 2]" 2
2409 2 62 TYR QD 2 65 TYR HB2 5.120 . 5.120 4.780 3.823 5.256 0.136 11 0 "[ . 1 . 2]" 2
2410 2 63 ILE H 2 63 ILE HB 3.180 . 3.180 2.368 2.328 2.411 . 0 0 "[ . 1 . 2]" 2
2411 2 63 ILE H 2 63 ILE QG 3.490 . 3.490 2.453 2.353 2.520 . 0 0 "[ . 1 . 2]" 2
2412 2 63 ILE H 2 63 ILE MG 3.840 . 3.840 3.730 3.708 3.753 . 0 0 "[ . 1 . 2]" 2
2413 2 63 ILE H 2 64 ASN QB 4.390 . 4.390 4.378 4.255 4.560 0.170 16 0 "[ . 1 . 2]" 2
2414 2 63 ILE H 2 66 LEU QB 5.340 . 5.340 4.986 4.590 5.381 0.041 12 0 "[ . 1 . 2]" 2
2415 2 63 ILE HA 2 63 ILE MD 3.890 . 3.890 3.793 3.775 3.811 . 0 0 "[ . 1 . 2]" 2
2416 2 63 ILE HA 2 63 ILE QG 3.820 . 3.820 2.317 2.296 2.351 . 0 0 "[ . 1 . 2]" 2
2417 2 63 ILE HA 2 63 ILE MG 3.240 . 3.240 2.567 2.529 2.605 . 0 0 "[ . 1 . 2]" 2
2418 2 63 ILE HA 2 66 LEU HG 4.390 . 4.390 4.035 2.521 4.427 0.037 2 0 "[ . 1 . 2]" 2
2419 2 63 ILE HA 2 66 LEU QB 4.210 . 4.210 3.043 2.768 3.934 . 0 0 "[ . 1 . 2]" 2
2420 2 63 ILE HB 2 64 ASN H 3.300 . 3.300 2.540 2.460 2.647 . 0 0 "[ . 1 . 2]" 2
2421 2 63 ILE HB 2 64 ASN QB 4.490 . 4.490 3.931 3.820 3.991 . 0 0 "[ . 1 . 2]" 2
2422 2 63 ILE MD 2 64 ASN H 4.740 . 4.740 4.569 4.490 4.665 . 0 0 "[ . 1 . 2]" 2
2423 2 63 ILE QG 2 64 ASN H 4.400 . 4.400 4.137 4.067 4.203 . 0 0 "[ . 1 . 2]" 2
2424 2 63 ILE MD 2 63 ILE MG 3.520 . 3.520 1.930 1.866 1.973 . 0 0 "[ . 1 . 2]" 2
2425 2 63 ILE QG 2 63 ILE MG 3.270 . 3.270 2.342 2.329 2.353 . 0 0 "[ . 1 . 2]" 2
2426 2 63 ILE MG 2 64 ASN H 3.240 . 3.240 2.987 2.904 3.102 . 0 0 "[ . 1 . 2]" 2
2427 2 63 ILE MG 2 64 ASN HA 3.700 . 3.700 2.982 2.898 3.057 . 0 0 "[ . 1 . 2]" 2
2428 2 63 ILE MG 2 64 ASN HB2 4.710 . 4.710 4.185 3.915 4.410 . 0 0 "[ . 1 . 2]" 2
2429 2 63 ILE MG 2 64 ASN HB3 4.710 . 4.710 4.039 3.786 4.152 . 0 0 "[ . 1 . 2]" 2
2430 2 63 ILE MG 2 64 ASN HD21 5.500 . 5.500 5.553 5.130 5.666 0.166 1 0 "[ . 1 . 2]" 2
2431 2 63 ILE MG 2 64 ASN QB 4.130 . 4.130 3.653 3.500 3.777 . 0 0 "[ . 1 . 2]" 2
2432 2 63 ILE MG 2 66 LEU H 4.980 . 4.980 4.735 4.620 4.830 . 0 0 "[ . 1 . 2]" 2
2433 2 63 ILE MG 2 67 GLU H 4.110 . 4.110 3.999 3.879 4.131 0.021 20 0 "[ . 1 . 2]" 2
2434 2 63 ILE MG 2 67 GLU HB3 4.460 . 4.460 3.108 2.903 3.228 . 0 0 "[ . 1 . 2]" 2
2435 2 63 ILE MG 2 67 GLU HG2 3.860 . 3.860 3.611 3.443 3.759 . 0 0 "[ . 1 . 2]" 2
2436 2 63 ILE MG 2 67 GLU HG3 4.930 . 4.930 4.844 4.634 4.972 0.042 3 0 "[ . 1 . 2]" 2
2437 2 64 ASN H 2 64 ASN HB2 3.410 . 3.410 3.299 3.148 3.521 0.111 16 0 "[ . 1 . 2]" 2
2438 2 64 ASN H 2 64 ASN HB3 3.410 . 3.410 2.084 2.028 2.197 . 0 0 "[ . 1 . 2]" 2
2439 2 64 ASN H 2 64 ASN HD21 4.320 . 4.320 3.131 2.765 3.343 . 0 0 "[ . 1 . 2]" 2
2440 2 64 ASN H 2 64 ASN HD22 4.780 . 4.780 4.667 4.125 4.876 0.096 4 0 "[ . 1 . 2]" 2
2441 2 64 ASN H 2 64 ASN QB 2.690 . 2.690 2.062 2.005 2.176 . 0 0 "[ . 1 . 2]" 2
2442 2 64 ASN H 2 67 GLU HB3 5.250 . 5.250 5.345 5.240 5.402 0.152 7 0 "[ . 1 . 2]" 2
2443 2 64 ASN HA 2 64 ASN HD21 4.250 . 4.250 4.254 4.209 4.309 0.059 2 0 "[ . 1 . 2]" 2
2444 2 64 ASN HA 2 67 GLU HB3 3.800 . 3.800 3.723 3.602 3.831 0.031 7 0 "[ . 1 . 2]" 2
2445 2 64 ASN HA 2 67 GLU HG2 3.580 . 3.580 1.954 1.867 2.069 . 0 0 "[ . 1 . 2]" 2
2446 2 64 ASN HA 2 67 GLU HG3 3.460 . 3.460 3.403 3.275 3.485 0.025 2 0 "[ . 1 . 2]" 2
2447 2 64 ASN HB2 2 65 TYR HA 5.500 . 5.500 5.376 5.073 5.502 0.002 6 0 "[ . 1 . 2]" 2
2448 2 64 ASN HB3 2 65 TYR HA 5.500 . 5.500 5.275 5.129 5.500 0.000 2 0 "[ . 1 . 2]" 2
2449 2 64 ASN HD21 2 65 TYR H 3.560 . 3.560 2.808 2.594 3.416 . 0 0 "[ . 1 . 2]" 2
2450 2 64 ASN HD22 2 65 TYR H 4.670 . 4.670 3.717 3.568 3.998 . 0 0 "[ . 1 . 2]" 2
2451 2 64 ASN QB 2 64 ASN HD22 3.400 . 3.400 3.276 3.221 3.304 . 0 0 "[ . 1 . 2]" 2
2452 2 64 ASN QB 2 65 TYR H 3.340 . 3.340 3.258 3.108 3.433 0.093 16 0 "[ . 1 . 2]" 2
2453 2 65 TYR H 2 65 TYR HA 2.940 . 2.940 2.870 2.863 2.891 . 0 0 "[ . 1 . 2]" 2
2454 2 65 TYR H 2 65 TYR HB2 2.870 . 2.870 2.371 2.254 2.699 . 0 0 "[ . 1 . 2]" 2
2455 2 65 TYR H 2 65 TYR HB3 3.800 . 3.800 3.331 2.478 3.604 . 0 0 "[ . 1 . 2]" 2
2456 2 65 TYR H 2 66 LEU QB 4.740 . 4.740 4.536 4.156 4.611 . 0 0 "[ . 1 . 2]" 2
2457 2 65 TYR H 2 68 MET H 4.850 . 4.850 4.834 4.728 4.933 0.083 2 0 "[ . 1 . 2]" 2
2458 2 65 TYR H 2 68 MET HG2 4.280 . 4.280 4.385 4.283 4.477 0.197 11 0 "[ . 1 . 2]" 2
2459 2 65 TYR HA 2 68 MET HB2 5.030 . 5.030 4.958 4.832 5.067 0.037 1 0 "[ . 1 . 2]" 2
2460 2 65 TYR HA 2 68 MET HG2 4.320 . 4.320 2.096 1.961 2.233 . 0 0 "[ . 1 . 2]" 2
2461 2 65 TYR HA 2 68 MET HG3 4.320 . 4.320 3.176 3.026 3.365 . 0 0 "[ . 1 . 2]" 2
2462 2 65 TYR HB2 2 66 LEU H 4.250 . 4.250 3.176 2.808 3.924 . 0 0 "[ . 1 . 2]" 2
2463 2 65 TYR HB3 2 66 LEU H 3.540 . 3.540 3.324 2.547 3.654 0.114 19 0 "[ . 1 . 2]" 2
2464 2 65 TYR HB3 2 66 LEU HA 4.560 . 4.560 4.149 3.925 4.291 . 0 0 "[ . 1 . 2]" 2
2465 2 65 TYR HB3 2 68 MET H 5.500 . 5.500 5.437 5.270 5.549 0.049 6 0 "[ . 1 . 2]" 2
2466 2 65 TYR HB3 2 69 SER H 5.500 . 5.500 5.398 4.730 5.650 0.150 12 0 "[ . 1 . 2]" 2
2467 2 66 LEU H 2 66 LEU HB2 3.640 . 3.640 2.634 2.406 3.640 0.000 15 0 "[ . 1 . 2]" 2
2468 2 66 LEU H 2 66 LEU HB3 3.640 . 3.640 3.358 2.070 3.633 . 0 0 "[ . 1 . 2]" 2
2469 2 66 LEU H 2 66 LEU HG 3.470 . 3.470 2.695 2.462 3.919 0.449 13 0 "[ . 1 . 2]" 2
2470 2 66 LEU H 2 66 LEU QB 3.050 . 3.050 2.371 2.033 2.408 . 0 0 "[ . 1 . 2]" 2
2471 2 66 LEU H 2 67 GLU HB3 4.880 . 4.880 4.783 4.641 4.855 . 0 0 "[ . 1 . 2]" 2
2472 2 66 LEU H 2 67 GLU HG2 4.440 . 4.440 4.159 3.889 4.326 . 0 0 "[ . 1 . 2]" 2
2473 2 66 LEU H 2 68 MET H 4.630 . 4.630 4.009 3.808 4.076 . 0 0 "[ . 1 . 2]" 2
2474 2 66 LEU H 2 68 MET HG2 5.190 . 5.190 4.406 4.245 4.554 . 0 0 "[ . 1 . 2]" 2
2475 2 66 LEU H 2 69 SER H 5.210 . 5.210 4.583 4.383 4.845 . 0 0 "[ . 1 . 2]" 2
2476 2 66 LEU HA 2 66 LEU HG 3.880 . 3.880 3.156 2.969 3.771 . 0 0 "[ . 1 . 2]" 2
2477 2 66 LEU HA 2 67 GLU H 3.550 . 3.550 3.496 3.471 3.525 . 0 0 "[ . 1 . 2]" 2
2478 2 66 LEU HA 2 68 MET H 4.080 . 4.080 4.025 3.753 4.172 0.092 7 0 "[ . 1 . 2]" 2
2479 2 66 LEU HA 2 69 SER H 3.940 . 3.940 3.092 2.818 3.470 . 0 0 "[ . 1 . 2]" 2
2480 2 66 LEU HA 2 69 SER HA 4.470 . 4.470 3.340 2.654 4.679 0.209 15 0 "[ . 1 . 2]" 2
2481 2 66 LEU HB2 2 67 GLU H 4.290 . 4.290 3.242 2.833 4.288 . 0 0 "[ . 1 . 2]" 2
2482 2 66 LEU HB3 2 67 GLU H 4.290 . 4.290 3.801 3.067 3.909 . 0 0 "[ . 1 . 2]" 2
2483 2 66 LEU HG 2 67 GLU H 4.700 . 4.700 4.233 2.519 4.678 . 0 0 "[ . 1 . 2]" 2
2484 2 66 LEU QB 2 67 GLU H 3.510 . 3.510 3.001 2.755 3.612 0.102 12 0 "[ . 1 . 2]" 2
2485 2 66 LEU QB 2 68 MET H 5.340 . 5.340 4.751 4.638 5.056 . 0 0 "[ . 1 . 2]" 2
2486 2 66 LEU QB 2 69 SER H 5.340 . 5.340 4.581 4.286 4.995 . 0 0 "[ . 1 . 2]" 2
2487 2 67 GLU H 2 67 GLU HA 2.920 . 2.920 2.845 2.815 2.870 . 0 0 "[ . 1 . 2]" 2
2488 2 67 GLU H 2 67 GLU HB2 3.640 . 3.640 3.628 3.611 3.643 0.003 8 0 "[ . 1 . 2]" 2
2489 2 67 GLU H 2 67 GLU HB3 2.850 . 2.850 2.516 2.471 2.560 . 0 0 "[ . 1 . 2]" 2
2490 2 67 GLU H 2 67 GLU HG2 3.160 . 3.160 2.342 2.219 2.440 . 0 0 "[ . 1 . 2]" 2
2491 2 67 GLU H 2 67 GLU HG3 3.680 . 3.680 3.381 3.171 3.560 . 0 0 "[ . 1 . 2]" 2
2492 2 67 GLU H 2 68 MET H 2.920 . 2.920 2.531 2.440 2.620 . 0 0 "[ . 1 . 2]" 2
2493 2 67 GLU H 2 68 MET HG2 5.500 . 5.500 4.023 3.890 4.124 . 0 0 "[ . 1 . 2]" 2
2494 2 67 GLU H 2 68 MET HG3 5.500 . 5.500 5.273 5.087 5.510 0.010 7 0 "[ . 1 . 2]" 2
2495 2 67 GLU H 2 69 SER H 3.980 . 3.980 3.774 3.627 4.004 0.024 20 0 "[ . 1 . 2]" 2
2496 2 67 GLU HA 2 67 GLU HG3 3.710 . 3.710 3.677 3.628 3.716 0.006 19 0 "[ . 1 . 2]" 2
2497 2 67 GLU HA 2 68 MET H 3.560 . 3.560 3.482 3.439 3.503 . 0 0 "[ . 1 . 2]" 2
2498 2 67 GLU HB2 2 68 MET H 4.300 . 4.300 4.031 3.866 4.186 . 0 0 "[ . 1 . 2]" 2
2499 2 67 GLU HB3 2 68 MET H 4.440 . 4.440 3.981 3.923 4.040 . 0 0 "[ . 1 . 2]" 2
2500 2 67 GLU HG2 2 68 MET H 4.800 . 4.800 2.789 2.607 2.963 . 0 0 "[ . 1 . 2]" 2
2501 2 67 GLU HG3 2 68 MET H 3.130 . 3.130 2.595 2.245 2.974 . 0 0 "[ . 1 . 2]" 2
2502 2 67 GLU HG3 2 68 MET HA 3.810 . 3.810 3.472 3.268 3.702 . 0 0 "[ . 1 . 2]" 2
2503 2 67 GLU HG3 2 68 MET HB3 3.440 . 3.440 3.090 2.909 3.288 . 0 0 "[ . 1 . 2]" 2
2504 2 68 MET H 2 68 MET HB2 3.820 . 3.820 3.677 3.643 3.715 . 0 0 "[ . 1 . 2]" 2
2505 2 68 MET H 2 68 MET HB3 4.030 . 4.030 2.793 2.677 2.927 . 0 0 "[ . 1 . 2]" 2
2506 2 68 MET H 2 68 MET HG2 3.710 . 3.710 2.155 2.026 2.239 . 0 0 "[ . 1 . 2]" 2
2507 2 68 MET H 2 68 MET HG3 3.780 . 3.780 3.128 2.948 3.316 . 0 0 "[ . 1 . 2]" 2
2508 2 68 MET H 2 69 SER H 3.030 . 3.030 2.247 2.098 2.353 . 0 0 "[ . 1 . 2]" 2
2509 2 68 MET HA 2 68 MET HG2 4.010 . 4.010 3.801 3.759 3.854 . 0 0 "[ . 1 . 2]" 2
2510 2 68 MET HA 2 68 MET HG3 3.720 . 3.720 3.732 3.697 3.775 0.055 6 0 "[ . 1 . 2]" 2
2511 2 68 MET HA 2 69 SER QB 4.530 . 4.530 4.312 4.001 4.972 0.442 1 0 "[ . 1 . 2]" 2
2512 2 68 MET HB2 2 69 SER H 4.090 . 4.090 4.090 3.790 4.239 0.149 15 0 "[ . 1 . 2]" 2
2513 2 68 MET HG2 2 69 SER H 4.750 . 4.750 3.117 2.677 3.498 . 0 0 "[ . 1 . 2]" 2
2514 2 68 MET HG3 2 69 SER H 3.680 . 3.680 2.874 2.378 3.281 . 0 0 "[ . 1 . 2]" 2
2515 2 69 SER H 2 69 SER HA 2.860 . 2.860 2.314 2.240 2.867 0.007 1 0 "[ . 1 . 2]" 2
2516 2 69 SER H 2 69 SER HB2 3.920 . 3.920 3.350 2.819 3.990 0.070 13 0 "[ . 1 . 2]" 2
2517 2 69 SER H 2 69 SER HB3 3.920 . 3.920 3.822 3.026 4.004 0.084 8 0 "[ . 1 . 2]" 2
2518 2 69 SER H 2 69 SER QB 3.120 . 3.120 3.120 2.755 3.329 0.209 12 0 "[ . 1 . 2]" 2
2519 2 69 SER HA 2 69 SER QB 2.640 . 2.640 2.356 2.182 2.437 . 0 0 "[ . 1 . 2]" 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 32
_Distance_constraint_stats_list.Viol_count 624
_Distance_constraint_stats_list.Viol_total 770.326
_Distance_constraint_stats_list.Viol_max 0.205
_Distance_constraint_stats_list.Viol_rms 0.0365
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0602
_Distance_constraint_stats_list.Viol_average_violations_only 0.0617
_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 9 THR 3.536 0.139 5 0 "[ . 1 . 2]"
1 11 CYS 3.686 0.148 8 0 "[ . 1 . 2]"
1 57 LYS 2.823 0.127 7 0 "[ . 1 . 2]"
1 58 TRP 3.150 0.153 17 0 "[ . 1 . 2]"
1 59 VAL 2.036 0.102 13 0 "[ . 1 . 2]"
1 60 GLN 2.625 0.149 20 0 "[ . 1 . 2]"
1 61 GLU 6.028 0.153 11 0 "[ . 1 . 2]"
1 62 TYR 5.223 0.153 17 0 "[ . 1 . 2]"
1 63 ILE 2.036 0.102 13 0 "[ . 1 . 2]"
1 64 ASN 2.625 0.149 20 0 "[ . 1 . 2]"
1 65 TYR 3.206 0.153 11 0 "[ . 1 . 2]"
1 66 LEU 2.073 0.130 13 0 "[ . 1 . 2]"
2 9 THR 3.686 0.148 8 0 "[ . 1 . 2]"
2 11 CYS 3.536 0.139 5 0 "[ . 1 . 2]"
2 57 LYS 2.395 0.136 6 0 "[ . 1 . 2]"
2 58 TRP 3.564 0.205 2 0 "[ . 1 . 2]"
2 59 VAL 2.012 0.115 7 0 "[ . 1 . 2]"
2 60 GLN 1.939 0.131 16 0 "[ . 1 . 2]"
2 61 GLU 5.623 0.176 3 0 "[ . 1 . 2]"
2 62 TYR 5.809 0.205 2 0 "[ . 1 . 2]"
2 63 ILE 2.012 0.115 7 0 "[ . 1 . 2]"
2 64 ASN 1.939 0.131 16 0 "[ . 1 . 2]"
2 65 TYR 3.228 0.176 3 0 "[ . 1 . 2]"
2 66 LEU 2.244 0.108 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 THR O 2 11 CYS H . . 1.800 1.812 1.748 1.855 0.055 5 0 "[ . 1 . 2]" 3
2 1 9 THR O 2 11 CYS N . . 2.700 2.790 2.727 2.839 0.139 5 0 "[ . 1 . 2]" 3
3 1 9 THR H 2 11 CYS O . . 1.800 1.838 1.788 1.906 0.106 13 0 "[ . 1 . 2]" 3
4 1 9 THR N 2 11 CYS O . . 2.700 2.730 2.697 2.795 0.095 11 0 "[ . 1 . 2]" 3
5 1 11 CYS O 2 9 THR H . . 1.800 1.834 1.786 1.927 0.127 7 0 "[ . 1 . 2]" 3
6 1 11 CYS O 2 9 THR N . . 2.700 2.728 2.693 2.778 0.078 7 0 "[ . 1 . 2]" 3
7 1 11 CYS H 2 9 THR O . . 1.800 1.820 1.770 1.864 0.064 8 0 "[ . 1 . 2]" 3
8 1 11 CYS N 2 9 THR O . . 2.700 2.799 2.745 2.848 0.148 8 0 "[ . 1 . 2]" 3
9 1 57 LYS O 1 61 GLU H . . 1.800 1.851 1.772 1.923 0.123 7 0 "[ . 1 . 2]" 3
10 1 57 LYS O 1 61 GLU N . . 2.700 2.788 2.721 2.827 0.127 7 0 "[ . 1 . 2]" 3
11 1 58 TRP O 1 62 TYR H . . 1.800 1.853 1.805 1.893 0.093 6 0 "[ . 1 . 2]" 3
12 1 58 TRP O 1 62 TYR N . . 2.700 2.804 2.765 2.853 0.153 17 0 "[ . 1 . 2]" 3
13 1 59 VAL O 1 63 ILE H . . 1.800 1.843 1.812 1.874 0.074 13 0 "[ . 1 . 2]" 3
14 1 59 VAL O 1 63 ILE N . . 2.700 2.759 2.718 2.802 0.102 13 0 "[ . 1 . 2]" 3
15 1 60 GLN O 1 64 ASN H . . 1.800 1.845 1.791 1.887 0.087 20 0 "[ . 1 . 2]" 3
16 1 60 GLN O 1 64 ASN N . . 2.700 2.786 2.733 2.849 0.149 20 0 "[ . 1 . 2]" 3
17 1 61 GLU O 1 65 TYR H . . 1.800 1.895 1.829 1.953 0.153 11 0 "[ . 1 . 2]" 3
18 1 61 GLU O 1 65 TYR N . . 2.700 2.765 2.704 2.805 0.105 17 0 "[ . 1 . 2]" 3
19 1 62 TYR O 1 66 LEU H . . 1.800 1.845 1.807 1.902 0.102 13 0 "[ . 1 . 2]" 3
20 1 62 TYR O 1 66 LEU N . . 2.700 2.759 2.710 2.830 0.130 13 0 "[ . 1 . 2]" 3
21 2 57 LYS O 2 61 GLU H . . 1.800 1.848 1.800 1.897 0.097 8 0 "[ . 1 . 2]" 3
22 2 57 LYS O 2 61 GLU N . . 2.700 2.772 2.701 2.836 0.136 6 0 "[ . 1 . 2]" 3
23 2 58 TRP O 2 62 TYR H . . 1.800 1.867 1.822 1.949 0.149 2 0 "[ . 1 . 2]" 3
24 2 58 TRP O 2 62 TYR N . . 2.700 2.811 2.769 2.905 0.205 2 0 "[ . 1 . 2]" 3
25 2 59 VAL O 2 63 ILE H . . 1.800 1.840 1.800 1.874 0.074 13 0 "[ . 1 . 2]" 3
26 2 59 VAL O 2 63 ILE N . . 2.700 2.761 2.721 2.815 0.115 7 0 "[ . 1 . 2]" 3
27 2 60 GLN O 2 64 ASN H . . 1.800 1.826 1.773 1.875 0.075 16 0 "[ . 1 . 2]" 3
28 2 60 GLN O 2 64 ASN N . . 2.700 2.768 2.708 2.831 0.131 16 0 "[ . 1 . 2]" 3
29 2 61 GLU O 2 65 TYR H . . 1.800 1.894 1.827 1.976 0.176 3 0 "[ . 1 . 2]" 3
30 2 61 GLU O 2 65 TYR N . . 2.700 2.767 2.719 2.820 0.120 2 0 "[ . 1 . 2]" 3
31 2 62 TYR O 2 66 LEU H . . 1.800 1.854 1.808 1.908 0.108 19 0 "[ . 1 . 2]" 3
32 2 62 TYR O 2 66 LEU N . . 2.700 2.758 2.710 2.802 0.102 12 0 "[ . 1 . 2]" 3
stop_
save_
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