NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470269 |
1akk   |
4189 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1akk
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 15
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.035
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0174
_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 18 HIS 0.035 0.020 1 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 PRO 0.035 0.020 1 0 "[ ]"
1 59 TRP 0.000 0.000 . 0 "[ ]"
1 67 TYR 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.000 0.000 . 0 "[ ]"
1 80 MET 0.000 0.000 . 0 "[ ]"
1 81 ILE 0.000 0.000 . 0 "[ ]"
1 82 PHE 0.000 0.000 . 0 "[ ]"
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 18 HIS HE1 1 30 PRO QG . . 4.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
2 1 18 HIS HE1 1 30 PRO HD3 . . 4.000 3.952 3.952 3.952 . 0 0 "[ ]" 1
3 1 18 HIS HE1 1 30 PRO HD2 . . 4.000 2.188 2.188 2.188 . 0 0 "[ ]" 1
4 1 18 HIS HE1 1 30 PRO HB3 . . 5.500 5.520 5.520 5.520 0.020 1 0 "[ ]" 1
5 1 18 HIS HE1 1 30 PRO HB2 . . 5.500 5.249 5.249 5.249 . 0 0 "[ ]" 1
6 1 18 HIS HE1 1 30 PRO HA . . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1
7 1 18 HIS HE1 1 29 GLY HA3 . . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
8 1 80 MET HG2 1 82 PHE QB . . 5.500 2.380 2.380 2.380 . 0 0 "[ ]" 1
9 1 80 MET HG2 1 81 ILE HA . . 5.500 4.889 4.889 4.889 . 0 0 "[ ]" 1
10 1 80 MET HG2 1 82 PHE HA . . 5.500 4.729 4.729 4.729 . 0 0 "[ ]" 1
11 1 68 LEU MD2 1 80 MET ME . . 6.500 3.167 3.167 3.167 . 0 0 "[ ]" 1
12 1 67 TYR HH 1 80 MET HB2 . . 6.500 3.527 3.527 3.527 . 0 0 "[ ]" 1
13 1 67 TYR HH 1 80 MET ME . . 6.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
14 1 59 TRP HH2 1 67 TYR HH . . 6.500 5.172 5.172 5.172 . 0 0 "[ ]" 1
15 1 67 TYR HH 1 68 LEU MD2 . . 6.500 5.512 5.512 5.512 . 0 0 "[ ]" 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 1453
_Distance_constraint_stats_list.Viol_count 96
_Distance_constraint_stats_list.Viol_total 12.286
_Distance_constraint_stats_list.Viol_max 0.877
_Distance_constraint_stats_list.Viol_rms 0.0493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.1280
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 1.130 0.877 1 1 [+]
1 2 ASP 0.046 0.046 1 0 "[ ]"
1 3 VAL 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.222 0.194 1 0 "[ ]"
1 5 LYS 0.000 0.000 . 0 "[ ]"
1 6 GLY 0.060 0.033 1 0 "[ ]"
1 7 LYS 0.000 0.000 . 0 "[ ]"
1 8 LYS 0.638 0.397 1 0 "[ ]"
1 9 ILE 0.505 0.241 1 0 "[ ]"
1 10 PHE 0.019 0.019 1 0 "[ ]"
1 11 VAL 0.505 0.185 1 0 "[ ]"
1 12 GLN 0.261 0.159 1 0 "[ ]"
1 13 LYS 0.180 0.150 1 0 "[ ]"
1 14 CYS 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.205 0.138 1 0 "[ ]"
1 16 GLN 0.223 0.138 1 0 "[ ]"
1 17 CYS 0.233 0.109 1 0 "[ ]"
1 18 HIS 0.151 0.109 1 0 "[ ]"
1 19 THR 0.157 0.067 1 0 "[ ]"
1 20 VAL 0.487 0.355 1 0 "[ ]"
1 21 GLU 0.000 0.000 . 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 GLY 0.000 0.000 . 0 "[ ]"
1 25 LYS 0.072 0.072 1 0 "[ ]"
1 26 HIS 0.550 0.413 1 0 "[ ]"
1 27 LYS 0.036 0.036 1 0 "[ ]"
1 28 THR 0.000 0.000 . 0 "[ ]"
1 29 GLY 0.437 0.202 1 0 "[ ]"
1 30 PRO 0.733 0.413 1 0 "[ ]"
1 31 ASN 0.631 0.355 1 0 "[ ]"
1 32 LEU 0.005 0.005 1 0 "[ ]"
1 33 HIS 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.091 0.064 1 0 "[ ]"
1 36 PHE 0.270 0.082 1 0 "[ ]"
1 37 GLY 0.010 0.010 1 0 "[ ]"
1 38 ARG 0.000 0.000 . 0 "[ ]"
1 39 LYS 0.021 0.021 1 0 "[ ]"
1 40 THR 0.004 0.004 1 0 "[ ]"
1 41 GLY 0.278 0.238 1 0 "[ ]"
1 42 GLN 0.238 0.238 1 0 "[ ]"
1 43 ALA 0.000 0.000 . 0 "[ ]"
1 44 PRO 0.000 0.000 . 0 "[ ]"
1 45 GLY 0.000 0.000 . 0 "[ ]"
1 46 PHE 0.071 0.033 1 0 "[ ]"
1 47 THR 0.025 0.025 1 0 "[ ]"
1 48 TYR 0.033 0.033 1 0 "[ ]"
1 49 THR 0.244 0.244 1 0 "[ ]"
1 50 ASP 0.044 0.044 1 0 "[ ]"
1 51 ALA 0.000 0.000 . 0 "[ ]"
1 52 ASN 0.244 0.244 1 0 "[ ]"
1 53 LYS 0.044 0.044 1 0 "[ ]"
1 54 ASN 0.303 0.303 1 0 "[ ]"
1 55 LYS 0.337 0.303 1 0 "[ ]"
1 56 GLY 0.057 0.057 1 0 "[ ]"
1 57 ILE 0.068 0.057 1 0 "[ ]"
1 58 THR 0.000 0.000 . 0 "[ ]"
1 59 TRP 0.096 0.054 1 0 "[ ]"
1 60 LYS 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.019 0.015 1 0 "[ ]"
1 62 GLU 0.034 0.019 1 0 "[ ]"
1 63 THR 0.103 0.103 1 0 "[ ]"
1 64 LEU 0.385 0.222 1 0 "[ ]"
1 65 MET 0.463 0.319 1 0 "[ ]"
1 66 GLU 0.664 0.319 1 0 "[ ]"
1 67 TYR 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.583 0.583 1 1 [+]
1 69 GLU 0.567 0.429 1 0 "[ ]"
1 70 ASN 0.000 0.000 . 0 "[ ]"
1 71 PRO 0.208 0.084 1 0 "[ ]"
1 72 LYS 0.357 0.250 1 0 "[ ]"
1 73 LYS 0.000 0.000 . 0 "[ ]"
1 74 TYR 0.029 0.029 1 0 "[ ]"
1 75 ILE 0.000 0.000 . 0 "[ ]"
1 76 PRO 0.436 0.250 1 0 "[ ]"
1 77 GLY 0.000 0.000 . 0 "[ ]"
1 78 THR 0.124 0.124 1 0 "[ ]"
1 79 LYS 0.124 0.124 1 0 "[ ]"
1 80 MET 0.000 0.000 . 0 "[ ]"
1 81 ILE 0.073 0.073 1 0 "[ ]"
1 82 PHE 0.052 0.052 1 0 "[ ]"
1 83 ALA 0.131 0.131 1 0 "[ ]"
1 84 GLY 0.340 0.209 1 0 "[ ]"
1 85 ILE 0.792 0.583 1 1 [+]
1 86 LYS 1.022 0.877 1 1 [+]
1 87 LYS 0.575 0.429 1 0 "[ ]"
1 88 LYS 0.000 0.000 . 0 "[ ]"
1 89 THR 0.073 0.073 1 0 "[ ]"
1 90 GLU 0.134 0.071 1 0 "[ ]"
1 91 ARG 0.003 0.003 1 0 "[ ]"
1 92 GLU 0.308 0.308 1 0 "[ ]"
1 93 ASP 0.439 0.439 1 0 "[ ]"
1 94 LEU 0.968 0.439 1 0 "[ ]"
1 95 ILE 1.112 0.389 1 0 "[ ]"
1 96 ALA 1.044 0.389 1 0 "[ ]"
1 97 TYR 0.681 0.392 1 0 "[ ]"
1 98 LEU 0.492 0.392 1 0 "[ ]"
1 99 LYS 0.352 0.285 1 0 "[ ]"
1 100 LYS 0.279 0.219 1 0 "[ ]"
1 101 ALA 0.219 0.219 1 0 "[ ]"
1 102 THR 0.000 0.000 . 0 "[ ]"
1 103 ASN 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY H1 1 1 GLY QA . . 3.300 2.365 2.365 2.365 . 0 0 "[ ]" 2
2 1 1 GLY H1 1 2 ASP H . . 4.600 3.996 3.996 3.996 . 0 0 "[ ]" 2
3 1 1 GLY H1 1 86 LYS QE . . 6.500 7.377 7.377 7.377 0.877 1 1 [+] 2
4 1 1 GLY H1 1 96 ALA MB . . 5.200 4.528 4.528 4.528 . 0 0 "[ ]" 2
5 1 1 GLY QA 1 2 ASP H . . 3.300 2.231 2.231 2.231 . 0 0 "[ ]" 2
6 1 1 GLY QA 1 93 ASP HA . . 2.800 2.214 2.214 2.214 . 0 0 "[ ]" 2
7 1 1 GLY QA 1 96 ALA HA . . 4.200 4.453 4.453 4.453 0.253 1 0 "[ ]" 2
8 1 1 GLY QA 1 96 ALA MB . . 4.300 2.303 2.303 2.303 . 0 0 "[ ]" 2
9 1 1 GLY QA 1 93 ASP H . . 3.900 3.528 3.528 3.528 . 0 0 "[ ]" 2
10 1 2 ASP H 1 2 ASP QB . . 3.400 2.969 2.969 2.969 . 0 0 "[ ]" 2
11 1 2 ASP H 1 3 VAL H . . 6.500 3.994 3.994 3.994 . 0 0 "[ ]" 2
12 1 2 ASP H 1 5 LYS H . . 5.800 5.151 5.151 5.151 . 0 0 "[ ]" 2
13 1 2 ASP H 1 5 LYS QB . . 5.800 4.248 4.248 4.248 . 0 0 "[ ]" 2
14 1 2 ASP H 1 5 LYS QD . . 7.500 5.402 5.402 5.402 . 0 0 "[ ]" 2
15 1 2 ASP H 1 6 GLY H . . 6.500 4.061 4.061 4.061 . 0 0 "[ ]" 2
16 1 2 ASP H 1 93 ASP HA . . 3.500 2.195 2.195 2.195 . 0 0 "[ ]" 2
17 1 2 ASP H 1 96 ALA H . . 5.300 4.156 4.156 4.156 . 0 0 "[ ]" 2
18 1 2 ASP H 1 96 ALA HA . . 4.700 4.746 4.746 4.746 0.046 1 0 "[ ]" 2
19 1 2 ASP H 1 96 ALA MB . . 5.500 1.933 1.933 1.933 . 0 0 "[ ]" 2
20 1 2 ASP HA 1 3 VAL H . . 4.100 2.156 2.156 2.156 . 0 0 "[ ]" 2
21 1 2 ASP HA 1 3 VAL MG1 . . 6.600 3.782 3.782 3.782 . 0 0 "[ ]" 2
22 1 2 ASP HA 1 3 VAL MG2 . . 7.500 5.474 5.474 5.474 . 0 0 "[ ]" 2
23 1 2 ASP QB 1 3 VAL H . . 6.100 3.718 3.718 3.718 . 0 0 "[ ]" 2
24 1 2 ASP QB 1 3 VAL HA . . 5.200 4.980 4.980 4.980 . 0 0 "[ ]" 2
25 1 2 ASP QB 1 5 LYS H . . 3.800 2.662 2.662 2.662 . 0 0 "[ ]" 2
26 1 2 ASP QB 1 5 LYS QB . . 6.100 2.244 2.244 2.244 . 0 0 "[ ]" 2
27 1 2 ASP QB 1 6 GLY H . . 4.700 3.373 3.373 3.373 . 0 0 "[ ]" 2
28 1 2 ASP QB 1 3 VAL MG1 . . 6.900 4.649 4.649 4.649 . 0 0 "[ ]" 2
29 1 2 ASP QB 1 3 VAL MG2 . . 7.300 5.944 5.944 5.944 . 0 0 "[ ]" 2
30 1 2 ASP QB 1 4 GLU H . . 4.900 3.633 3.633 3.633 . 0 0 "[ ]" 2
31 1 2 ASP QB 1 5 LYS HA . . 5.500 4.613 4.613 4.613 . 0 0 "[ ]" 2
32 1 3 VAL H 1 3 VAL HB . . 3.600 2.527 2.527 2.527 . 0 0 "[ ]" 2
33 1 3 VAL H 1 3 VAL MG1 . . 4.500 2.038 2.038 2.038 . 0 0 "[ ]" 2
34 1 3 VAL H 1 4 GLU H . . 3.100 2.578 2.578 2.578 . 0 0 "[ ]" 2
35 1 3 VAL H 1 4 GLU HA . . 6.500 5.187 5.187 5.187 . 0 0 "[ ]" 2
36 1 3 VAL H 1 96 ALA MB . . 5.600 3.121 3.121 3.121 . 0 0 "[ ]" 2
37 1 3 VAL HA 1 4 GLU H . . 4.200 3.581 3.581 3.581 . 0 0 "[ ]" 2
38 1 3 VAL HA 1 4 GLU HA . . 6.100 4.829 4.829 4.829 . 0 0 "[ ]" 2
39 1 3 VAL HA 1 6 GLY H . . 4.300 3.631 3.631 3.631 . 0 0 "[ ]" 2
40 1 3 VAL HA 1 6 GLY HA2 . . 6.500 5.286 5.286 5.286 . 0 0 "[ ]" 2
41 1 3 VAL HA 1 7 LYS H . . 4.500 3.863 3.863 3.863 . 0 0 "[ ]" 2
42 1 3 VAL HA 1 96 ALA MB . . 5.200 3.068 3.068 3.068 . 0 0 "[ ]" 2
43 1 3 VAL MG1 1 4 GLU H . . 5.400 2.308 2.308 2.308 . 0 0 "[ ]" 2
44 1 3 VAL MG1 1 4 GLU HA . . 6.500 3.188 3.188 3.188 . 0 0 "[ ]" 2
45 1 3 VAL MG1 1 7 LYS QB . . 6.100 4.549 4.549 4.549 . 0 0 "[ ]" 2
46 1 3 VAL MG1 1 96 ALA HA . . 7.500 6.254 6.254 6.254 . 0 0 "[ ]" 2
47 1 3 VAL MG1 1 97 TYR QD . . 7.200 5.053 5.053 5.053 . 0 0 "[ ]" 2
48 1 3 VAL MG1 1 100 LYS QE . . 8.000 4.077 4.077 4.077 . 0 0 "[ ]" 2
49 1 3 VAL MG2 1 4 GLU H . . 5.800 3.824 3.824 3.824 . 0 0 "[ ]" 2
50 1 3 VAL MG2 1 4 GLU HA . . 5.800 3.710 3.710 3.710 . 0 0 "[ ]" 2
51 1 3 VAL MG2 1 7 LYS H . . 7.500 4.049 4.049 4.049 . 0 0 "[ ]" 2
52 1 3 VAL MG2 1 7 LYS QB . . 6.100 3.620 3.620 3.620 . 0 0 "[ ]" 2
53 1 3 VAL MG2 1 96 ALA H . . 6.600 6.456 6.456 6.456 . 0 0 "[ ]" 2
54 1 3 VAL MG2 1 96 ALA HA . . 7.500 5.465 5.465 5.465 . 0 0 "[ ]" 2
55 1 3 VAL MG2 1 97 TYR HA . . 3.900 2.170 2.170 2.170 . 0 0 "[ ]" 2
56 1 3 VAL MG2 1 100 LYS QE . . 8.000 3.555 3.555 3.555 . 0 0 "[ ]" 2
57 1 4 GLU H 1 4 GLU HB2 . . 3.100 2.461 2.461 2.461 . 0 0 "[ ]" 2
58 1 4 GLU H 1 4 GLU HB3 . . 3.100 2.503 2.503 2.503 . 0 0 "[ ]" 2
59 1 4 GLU H 1 4 GLU HG2 . . 4.700 4.428 4.428 4.428 . 0 0 "[ ]" 2
60 1 4 GLU H 1 4 GLU HG3 . . 4.200 4.394 4.394 4.394 0.194 1 0 "[ ]" 2
61 1 4 GLU H 1 6 GLY H . . 3.800 3.827 3.827 3.827 0.027 1 0 "[ ]" 2
62 1 4 GLU HA 1 4 GLU HG2 . . 4.200 2.981 2.981 2.981 . 0 0 "[ ]" 2
63 1 4 GLU HA 1 4 GLU HG3 . . 4.200 2.489 2.489 2.489 . 0 0 "[ ]" 2
64 1 4 GLU HA 1 5 LYS H . . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 2
65 1 4 GLU HA 1 7 LYS H . . 4.000 3.643 3.643 3.643 . 0 0 "[ ]" 2
66 1 4 GLU HA 1 7 LYS QB . . 5.200 2.786 2.786 2.786 . 0 0 "[ ]" 2
67 1 4 GLU HA 1 7 LYS QG . . 6.900 4.373 4.373 4.373 . 0 0 "[ ]" 2
68 1 4 GLU HA 1 7 LYS QD . . 7.500 4.602 4.602 4.602 . 0 0 "[ ]" 2
69 1 5 LYS H 1 6 GLY H . . 4.100 2.697 2.697 2.697 . 0 0 "[ ]" 2
70 1 5 LYS H 1 93 ASP QB . . 7.500 6.076 6.076 6.076 . 0 0 "[ ]" 2
71 1 5 LYS HA 1 6 GLY H . . 4.500 3.599 3.599 3.599 . 0 0 "[ ]" 2
72 1 5 LYS QB 1 6 GLY H . . 5.000 2.564 2.564 2.564 . 0 0 "[ ]" 2
73 1 5 LYS QB 1 6 GLY HA3 . . 5.300 4.224 4.224 4.224 . 0 0 "[ ]" 2
74 1 5 LYS QE 1 9 ILE MD . . 8.500 4.753 4.753 4.753 . 0 0 "[ ]" 2
75 1 6 GLY H 1 7 LYS H . . 4.100 2.787 2.787 2.787 . 0 0 "[ ]" 2
76 1 6 GLY H 1 8 LYS H . . 5.700 4.713 4.713 4.713 . 0 0 "[ ]" 2
77 1 6 GLY H 1 9 ILE H . . 6.500 5.307 5.307 5.307 . 0 0 "[ ]" 2
78 1 6 GLY H 1 9 ILE MG . . 7.500 4.402 4.402 4.402 . 0 0 "[ ]" 2
79 1 6 GLY H 1 9 ILE QG . . 7.500 6.551 6.551 6.551 . 0 0 "[ ]" 2
80 1 6 GLY H 1 93 ASP QB . . 6.400 4.261 4.261 4.261 . 0 0 "[ ]" 2
81 1 6 GLY H 1 96 ALA MB . . 7.200 4.127 4.127 4.127 . 0 0 "[ ]" 2
82 1 6 GLY HA2 1 7 LYS H . . 5.300 3.557 3.557 3.557 . 0 0 "[ ]" 2
83 1 6 GLY HA2 1 8 LYS H . . 5.300 4.008 4.008 4.008 . 0 0 "[ ]" 2
84 1 6 GLY HA2 1 9 ILE H . . 3.600 3.212 3.212 3.212 . 0 0 "[ ]" 2
85 1 6 GLY HA2 1 9 ILE MG . . 6.700 2.084 2.084 2.084 . 0 0 "[ ]" 2
86 1 6 GLY HA2 1 9 ILE QG . . 7.500 4.451 4.451 4.451 . 0 0 "[ ]" 2
87 1 6 GLY HA2 1 9 ILE MD . . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 2
88 1 6 GLY HA2 1 93 ASP QB . . 7.200 3.430 3.430 3.430 . 0 0 "[ ]" 2
89 1 6 GLY HA3 1 7 LYS H . . 4.200 2.971 2.971 2.971 . 0 0 "[ ]" 2
90 1 6 GLY HA3 1 7 LYS HA . . 4.900 4.519 4.519 4.519 . 0 0 "[ ]" 2
91 1 6 GLY HA3 1 8 LYS H . . 5.600 4.711 4.711 4.711 . 0 0 "[ ]" 2
92 1 6 GLY HA3 1 9 ILE HB . . 4.300 4.333 4.333 4.333 0.033 1 0 "[ ]" 2
93 1 6 GLY HA3 1 9 ILE MD . . 5.900 4.822 4.822 4.822 . 0 0 "[ ]" 2
94 1 6 GLY HA3 1 10 PHE H . . 5.000 4.766 4.766 4.766 . 0 0 "[ ]" 2
95 1 6 GLY HA3 1 97 TYR HB2 . . 6.200 2.257 2.257 2.257 . 0 0 "[ ]" 2
96 1 7 LYS H 1 8 LYS H . . 3.800 3.094 3.094 3.094 . 0 0 "[ ]" 2
97 1 7 LYS H 1 97 TYR HA . . 5.400 4.705 4.705 4.705 . 0 0 "[ ]" 2
98 1 7 LYS H 1 97 TYR HB2 . . 5.400 2.934 2.934 2.934 . 0 0 "[ ]" 2
99 1 7 LYS H 1 97 TYR HB3 . . 6.500 4.375 4.375 4.375 . 0 0 "[ ]" 2
100 1 7 LYS H 1 97 TYR QD . . 5.600 3.782 3.782 3.782 . 0 0 "[ ]" 2
101 1 7 LYS HA 1 8 LYS H . . 4.200 3.563 3.563 3.563 . 0 0 "[ ]" 2
102 1 7 LYS HA 1 97 TYR HB2 . . 4.500 3.389 3.389 3.389 . 0 0 "[ ]" 2
103 1 7 LYS HA 1 97 TYR QD . . 4.200 2.709 2.709 2.709 . 0 0 "[ ]" 2
104 1 7 LYS QB 1 8 LYS H . . 5.300 2.614 2.614 2.614 . 0 0 "[ ]" 2
105 1 7 LYS QG 1 8 LYS H . . 5.700 3.864 3.864 3.864 . 0 0 "[ ]" 2
106 1 7 LYS QG 1 97 TYR HE2 . . 7.000 6.246 6.246 6.246 . 0 0 "[ ]" 2
107 1 7 LYS QD 1 8 LYS H . . 7.500 5.011 5.011 5.011 . 0 0 "[ ]" 2
108 1 7 LYS QD 1 97 TYR QD . . 7.500 2.615 2.615 2.615 . 0 0 "[ ]" 2
109 1 7 LYS QD 1 97 TYR HE2 . . 6.300 5.488 5.488 5.488 . 0 0 "[ ]" 2
110 1 7 LYS QD 1 97 TYR HE1 . . 7.500 2.200 2.200 2.200 . 0 0 "[ ]" 2
111 1 8 LYS H 1 8 LYS HB3 . . 2.900 2.677 2.677 2.677 . 0 0 "[ ]" 2
112 1 8 LYS H 1 8 LYS HB2 . . 3.700 2.659 2.659 2.659 . 0 0 "[ ]" 2
113 1 8 LYS H 1 8 LYS QD . . 5.800 4.821 4.821 4.821 . 0 0 "[ ]" 2
114 1 8 LYS H 1 8 LYS QE . . 7.300 4.105 4.105 4.105 . 0 0 "[ ]" 2
115 1 8 LYS H 1 9 ILE H . . 3.400 2.486 2.486 2.486 . 0 0 "[ ]" 2
116 1 8 LYS H 1 9 ILE HA . . 5.800 4.747 4.747 4.747 . 0 0 "[ ]" 2
117 1 8 LYS H 1 9 ILE QG . . 7.100 5.535 5.535 5.535 . 0 0 "[ ]" 2
118 1 8 LYS H 1 9 ILE MD . . 7.500 5.812 5.812 5.812 . 0 0 "[ ]" 2
119 1 8 LYS H 1 11 VAL MG1 . . 6.700 5.583 5.583 5.583 . 0 0 "[ ]" 2
120 1 8 LYS HA 1 8 LYS HB3 . . 2.600 2.997 2.997 2.997 0.397 1 0 "[ ]" 2
121 1 8 LYS HA 1 8 LYS QE . . 6.300 2.201 2.201 2.201 . 0 0 "[ ]" 2
122 1 8 LYS HA 1 9 ILE H . . 3.900 3.323 3.323 3.323 . 0 0 "[ ]" 2
123 1 8 LYS HA 1 10 PHE H . . 4.600 4.523 4.523 4.523 . 0 0 "[ ]" 2
124 1 8 LYS HB3 1 9 ILE H . . 3.600 3.841 3.841 3.841 0.241 1 0 "[ ]" 2
125 1 8 LYS HB3 1 12 GLN H . . 6.500 5.471 5.471 5.471 . 0 0 "[ ]" 2
126 1 8 LYS QE 1 12 GLN HE22 . . 7.500 5.930 5.930 5.930 . 0 0 "[ ]" 2
127 1 8 LYS QE 1 97 TYR HE1 . . 7.500 6.545 6.545 6.545 . 0 0 "[ ]" 2
128 1 9 ILE H 1 9 ILE HB . . 2.900 2.550 2.550 2.550 . 0 0 "[ ]" 2
129 1 9 ILE H 1 9 ILE MD . . 5.300 4.484 4.484 4.484 . 0 0 "[ ]" 2
130 1 9 ILE H 1 10 PHE H . . 3.100 2.147 2.147 2.147 . 0 0 "[ ]" 2
131 1 9 ILE H 1 10 PHE HA . . 5.100 4.836 4.836 4.836 . 0 0 "[ ]" 2
132 1 9 ILE H 1 11 VAL H . . 3.800 3.870 3.870 3.870 0.070 1 0 "[ ]" 2
133 1 9 ILE H 1 12 GLN HG3 . . 6.500 5.718 5.718 5.718 . 0 0 "[ ]" 2
134 1 9 ILE H 1 13 LYS H . . 5.400 5.550 5.550 5.550 0.150 1 0 "[ ]" 2
135 1 9 ILE HA 1 10 PHE H . . 4.100 3.578 3.578 3.578 . 0 0 "[ ]" 2
136 1 9 ILE HA 1 12 GLN H . . 3.800 3.811 3.811 3.811 0.011 1 0 "[ ]" 2
137 1 9 ILE HA 1 13 LYS H . . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 2
138 1 9 ILE HB 1 10 PHE H . . 4.000 3.626 3.626 3.626 . 0 0 "[ ]" 2
139 1 9 ILE MG 1 10 PHE H . . 5.500 1.975 1.975 1.975 . 0 0 "[ ]" 2
140 1 9 ILE MG 1 10 PHE HA . . 6.000 3.127 3.127 3.127 . 0 0 "[ ]" 2
141 1 9 ILE MG 1 10 PHE QD . . 7.500 4.702 4.702 4.702 . 0 0 "[ ]" 2
142 1 9 ILE MG 1 12 GLN H . . 7.500 5.399 5.399 5.399 . 0 0 "[ ]" 2
143 1 9 ILE MG 1 13 LYS QE . . 8.500 4.674 4.674 4.674 . 0 0 "[ ]" 2
144 1 9 ILE MG 1 94 LEU H . . 7.000 3.500 3.500 3.500 . 0 0 "[ ]" 2
145 1 9 ILE MG 1 94 LEU HA . . 7.200 2.315 2.315 2.315 . 0 0 "[ ]" 2
146 1 9 ILE MG 1 94 LEU QB . . 4.200 2.806 2.806 2.806 . 0 0 "[ ]" 2
147 1 9 ILE MG 1 94 LEU MD2 . . 5.300 4.100 4.100 4.100 . 0 0 "[ ]" 2
148 1 9 ILE QG 1 10 PHE H . . 7.500 4.115 4.115 4.115 . 0 0 "[ ]" 2
149 1 9 ILE MD 1 10 PHE H . . 6.300 4.610 4.610 4.610 . 0 0 "[ ]" 2
150 1 9 ILE MD 1 90 GLU HA . . 4.700 3.588 3.588 3.588 . 0 0 "[ ]" 2
151 1 9 ILE MD 1 93 ASP QB . . 6.800 2.691 2.691 2.691 . 0 0 "[ ]" 2
152 1 9 ILE MD 1 94 LEU H . . 6.000 3.794 3.794 3.794 . 0 0 "[ ]" 2
153 1 9 ILE MD 1 94 LEU HA . . 5.800 3.927 3.927 3.927 . 0 0 "[ ]" 2
154 1 10 PHE H 1 10 PHE HB2 . . 3.100 2.750 2.750 2.750 . 0 0 "[ ]" 2
155 1 10 PHE H 1 10 PHE HB3 . . 3.100 2.321 2.321 2.321 . 0 0 "[ ]" 2
156 1 10 PHE H 1 11 VAL H . . 3.500 2.965 2.965 2.965 . 0 0 "[ ]" 2
157 1 10 PHE H 1 11 VAL HA . . 6.400 5.344 5.344 5.344 . 0 0 "[ ]" 2
158 1 10 PHE H 1 11 VAL MG1 . . 7.500 4.282 4.282 4.282 . 0 0 "[ ]" 2
159 1 10 PHE H 1 94 LEU MD1 . . 4.500 3.840 3.840 3.840 . 0 0 "[ ]" 2
160 1 10 PHE H 1 97 TYR HB2 . . 5.500 5.258 5.258 5.258 . 0 0 "[ ]" 2
161 1 10 PHE H 1 97 TYR QD . . 4.800 4.112 4.112 4.112 . 0 0 "[ ]" 2
162 1 10 PHE H 1 97 TYR HE2 . . 4.500 4.519 4.519 4.519 0.019 1 0 "[ ]" 2
163 1 10 PHE HA 1 10 PHE HB3 . . 3.100 3.029 3.029 3.029 . 0 0 "[ ]" 2
164 1 10 PHE HA 1 10 PHE QD . . 4.100 2.450 2.450 2.450 . 0 0 "[ ]" 2
165 1 10 PHE HA 1 11 VAL H . . 4.400 3.645 3.645 3.645 . 0 0 "[ ]" 2
166 1 10 PHE HA 1 11 VAL HA . . 4.700 4.546 4.546 4.546 . 0 0 "[ ]" 2
167 1 10 PHE HA 1 13 LYS H . . 4.300 3.779 3.779 3.779 . 0 0 "[ ]" 2
168 1 10 PHE HA 1 14 CYS H . . 4.300 4.147 4.147 4.147 . 0 0 "[ ]" 2
169 1 10 PHE HA 1 94 LEU MD1 . . 4.600 2.298 2.298 2.298 . 0 0 "[ ]" 2
170 1 10 PHE HA 1 94 LEU MD2 . . 6.700 4.028 4.028 4.028 . 0 0 "[ ]" 2
171 1 10 PHE HA 1 97 TYR QD . . 5.600 4.901 4.901 4.901 . 0 0 "[ ]" 2
172 1 10 PHE HA 1 97 TYR HE2 . . 6.500 4.975 4.975 4.975 . 0 0 "[ ]" 2
173 1 10 PHE HB2 1 11 VAL H . . 4.100 3.869 3.869 3.869 . 0 0 "[ ]" 2
174 1 10 PHE HB2 1 94 LEU MD1 . . 5.000 3.358 3.358 3.358 . 0 0 "[ ]" 2
175 1 10 PHE HB2 1 97 TYR QD . . 4.600 2.630 2.630 2.630 . 0 0 "[ ]" 2
176 1 10 PHE HB2 1 97 TYR HE2 . . 4.200 2.853 2.853 2.853 . 0 0 "[ ]" 2
177 1 10 PHE HB2 1 98 LEU MD1 . . 7.500 2.696 2.696 2.696 . 0 0 "[ ]" 2
178 1 10 PHE HB3 1 11 VAL H . . 5.200 2.419 2.419 2.419 . 0 0 "[ ]" 2
179 1 10 PHE HB3 1 94 LEU MD1 . . 5.400 4.526 4.526 4.526 . 0 0 "[ ]" 2
180 1 10 PHE HB3 1 94 LEU MD2 . . 7.500 5.331 5.331 5.331 . 0 0 "[ ]" 2
181 1 10 PHE HB3 1 97 TYR QD . . 4.200 3.224 3.224 3.224 . 0 0 "[ ]" 2
182 1 10 PHE HB3 1 97 TYR HE2 . . 4.400 2.455 2.455 2.455 . 0 0 "[ ]" 2
183 1 10 PHE QD 1 11 VAL H . . 4.700 3.093 3.093 3.093 . 0 0 "[ ]" 2
184 1 10 PHE QD 1 11 VAL HB . . 4.700 4.600 4.600 4.600 . 0 0 "[ ]" 2
185 1 10 PHE QD 1 11 VAL MG1 . . 5.900 2.063 2.063 2.063 . 0 0 "[ ]" 2
186 1 10 PHE QD 1 11 VAL MG2 . . 7.500 4.148 4.148 4.148 . 0 0 "[ ]" 2
187 1 10 PHE QD 1 18 HIS HB3 . . 6.500 5.248 5.248 5.248 . 0 0 "[ ]" 2
188 1 10 PHE QD 1 20 VAL MG1 . . 7.500 2.580 2.580 2.580 . 0 0 "[ ]" 2
189 1 10 PHE QD 1 97 TYR QD . . 5.200 4.144 4.144 4.144 . 0 0 "[ ]" 2
190 1 10 PHE QD 1 97 TYR HE2 . . 4.900 2.249 2.249 2.249 . 0 0 "[ ]" 2
191 1 10 PHE QD 1 98 LEU MD2 . . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 2
192 1 10 PHE QD 1 11 VAL HA . . 4.700 3.596 3.596 3.596 . 0 0 "[ ]" 2
193 1 10 PHE QD 1 15 ALA HA . . 6.200 4.559 4.559 4.559 . 0 0 "[ ]" 2
194 1 10 PHE QD 1 94 LEU MD1 . . 4.600 3.040 3.040 3.040 . 0 0 "[ ]" 2
195 1 10 PHE QD 1 94 LEU MD2 . . 6.700 3.490 3.490 3.490 . 0 0 "[ ]" 2
196 1 10 PHE QD 1 98 LEU MD1 . . 7.300 2.944 2.944 2.944 . 0 0 "[ ]" 2
197 1 10 PHE HE2 1 11 VAL MG1 . . 7.500 2.393 2.393 2.393 . 0 0 "[ ]" 2
198 1 10 PHE HE2 1 11 VAL MG2 . . 7.500 5.160 5.160 5.160 . 0 0 "[ ]" 2
199 1 10 PHE HE2 1 15 ALA HA . . 4.300 3.301 3.301 3.301 . 0 0 "[ ]" 2
200 1 10 PHE HE2 1 15 ALA MB . . 5.100 3.133 3.133 3.133 . 0 0 "[ ]" 2
201 1 10 PHE HE2 1 18 HIS H . . 6.500 5.534 5.534 5.534 . 0 0 "[ ]" 2
202 1 10 PHE HE2 1 18 HIS HB2 . . 6.300 4.821 4.821 4.821 . 0 0 "[ ]" 2
203 1 10 PHE HE2 1 18 HIS HB3 . . 4.800 4.741 4.741 4.741 . 0 0 "[ ]" 2
204 1 10 PHE HE2 1 19 THR HA . . 5.500 3.427 3.427 3.427 . 0 0 "[ ]" 2
205 1 10 PHE HE2 1 20 VAL MG1 . . 5.500 2.288 2.288 2.288 . 0 0 "[ ]" 2
206 1 10 PHE HE2 1 98 LEU MD1 . . 7.500 5.776 5.776 5.776 . 0 0 "[ ]" 2
207 1 10 PHE HE2 1 98 LEU MD2 . . 5.800 4.837 4.837 4.837 . 0 0 "[ ]" 2
208 1 10 PHE HE2 1 101 ALA MB . . 7.500 6.187 6.187 6.187 . 0 0 "[ ]" 2
209 1 10 PHE HE1 1 15 ALA HA . . 5.200 3.877 3.877 3.877 . 0 0 "[ ]" 2
210 1 10 PHE HE1 1 15 ALA MB . . 5.800 4.915 4.915 4.915 . 0 0 "[ ]" 2
211 1 10 PHE HE1 1 18 HIS HB2 . . 5.600 2.638 2.638 2.638 . 0 0 "[ ]" 2
212 1 10 PHE HE1 1 18 HIS HB3 . . 4.600 3.210 3.210 3.210 . 0 0 "[ ]" 2
213 1 10 PHE HE1 1 20 VAL MG1 . . 6.200 4.313 4.313 4.313 . 0 0 "[ ]" 2
214 1 10 PHE HE1 1 32 LEU MD2 . . 7.500 5.579 5.579 5.579 . 0 0 "[ ]" 2
215 1 10 PHE HE1 1 97 TYR HE2 . . 5.800 5.795 5.795 5.795 . 0 0 "[ ]" 2
216 1 10 PHE HE1 1 98 LEU MD1 . . 7.500 4.366 4.366 4.366 . 0 0 "[ ]" 2
217 1 10 PHE HE1 1 98 LEU MD2 . . 5.200 4.393 4.393 4.393 . 0 0 "[ ]" 2
218 1 10 PHE HZ 1 15 ALA HA . . 4.300 2.530 2.530 2.530 . 0 0 "[ ]" 2
219 1 10 PHE HZ 1 15 ALA MB . . 6.000 3.718 3.718 3.718 . 0 0 "[ ]" 2
220 1 10 PHE HZ 1 18 HIS H . . 5.600 3.729 3.729 3.729 . 0 0 "[ ]" 2
221 1 10 PHE HZ 1 18 HIS HB2 . . 3.900 2.374 2.374 2.374 . 0 0 "[ ]" 2
222 1 10 PHE HZ 1 18 HIS HB3 . . 3.300 2.518 2.518 2.518 . 0 0 "[ ]" 2
223 1 10 PHE HZ 1 19 THR H . . 5.300 3.945 3.945 3.945 . 0 0 "[ ]" 2
224 1 10 PHE HZ 1 19 THR HA . . 4.100 3.683 3.683 3.683 . 0 0 "[ ]" 2
225 1 10 PHE HZ 1 19 THR HB . . 6.500 5.751 5.751 5.751 . 0 0 "[ ]" 2
226 1 10 PHE HZ 1 20 VAL MG1 . . 4.600 3.448 3.448 3.448 . 0 0 "[ ]" 2
227 1 10 PHE HZ 1 32 LEU MD1 . . 6.200 3.564 3.564 3.564 . 0 0 "[ ]" 2
228 1 11 VAL H 1 11 VAL HB . . 3.300 3.485 3.485 3.485 0.185 1 0 "[ ]" 2
229 1 11 VAL H 1 11 VAL MG1 . . 4.300 2.043 2.043 2.043 . 0 0 "[ ]" 2
230 1 11 VAL H 1 11 VAL MG2 . . 4.600 2.125 2.125 2.125 . 0 0 "[ ]" 2
231 1 11 VAL H 1 12 GLN H . . 3.800 2.863 2.863 2.863 . 0 0 "[ ]" 2
232 1 11 VAL H 1 13 LYS H . . 5.200 4.052 4.052 4.052 . 0 0 "[ ]" 2
233 1 11 VAL H 1 97 TYR QD . . 5.600 5.479 5.479 5.479 . 0 0 "[ ]" 2
234 1 11 VAL H 1 97 TYR HE2 . . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 2
235 1 11 VAL HA 1 11 VAL HB . . 2.900 2.409 2.409 2.409 . 0 0 "[ ]" 2
236 1 11 VAL HA 1 11 VAL MG1 . . 3.700 2.376 2.376 2.376 . 0 0 "[ ]" 2
237 1 11 VAL HA 1 12 GLN H . . 3.900 3.588 3.588 3.588 . 0 0 "[ ]" 2
238 1 11 VAL HA 1 12 GLN QB . . 5.300 5.459 5.459 5.459 0.159 1 0 "[ ]" 2
239 1 11 VAL HB 1 12 GLN H . . 3.500 3.590 3.590 3.590 0.090 1 0 "[ ]" 2
240 1 11 VAL MG1 1 12 GLN H . . 5.400 3.900 3.900 3.900 . 0 0 "[ ]" 2
241 1 11 VAL MG1 1 97 TYR HE2 . . 7.200 3.716 3.716 3.716 . 0 0 "[ ]" 2
242 1 11 VAL MG2 1 12 GLN H . . 5.100 2.027 2.027 2.027 . 0 0 "[ ]" 2
243 1 11 VAL MG2 1 12 GLN HA . . 4.800 3.458 3.458 3.458 . 0 0 "[ ]" 2
244 1 11 VAL MG2 1 15 ALA HA . . 6.400 5.466 5.466 5.466 . 0 0 "[ ]" 2
245 1 11 VAL MG2 1 97 TYR HE2 . . 7.300 5.533 5.533 5.533 . 0 0 "[ ]" 2
246 1 12 GLN H 1 12 GLN QB . . 3.400 2.460 2.460 2.460 . 0 0 "[ ]" 2
247 1 12 GLN H 1 12 GLN HG2 . . 4.200 3.535 3.535 3.535 . 0 0 "[ ]" 2
248 1 12 GLN H 1 12 GLN HG3 . . 4.500 2.610 2.610 2.610 . 0 0 "[ ]" 2
249 1 12 GLN H 1 13 LYS H . . 3.400 2.826 2.826 2.826 . 0 0 "[ ]" 2
250 1 12 GLN H 1 13 LYS HA . . 6.500 5.403 5.403 5.403 . 0 0 "[ ]" 2
251 1 12 GLN H 1 14 CYS H . . 4.600 4.255 4.255 4.255 . 0 0 "[ ]" 2
252 1 12 GLN HA 1 12 GLN HG2 . . 4.200 2.300 2.300 2.300 . 0 0 "[ ]" 2
253 1 12 GLN HA 1 12 GLN HG3 . . 4.200 3.103 3.103 3.103 . 0 0 "[ ]" 2
254 1 12 GLN HA 1 13 LYS H . . 4.300 3.617 3.617 3.617 . 0 0 "[ ]" 2
255 1 12 GLN QB 1 12 GLN HG3 . . 2.700 2.338 2.338 2.338 . 0 0 "[ ]" 2
256 1 12 GLN QB 1 13 LYS H . . 3.600 2.880 2.880 2.880 . 0 0 "[ ]" 2
257 1 12 GLN QB 1 13 LYS QG . . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 2
258 1 12 GLN HG2 1 13 LYS H . . 6.500 5.164 5.164 5.164 . 0 0 "[ ]" 2
259 1 12 GLN HG3 1 13 LYS H . . 6.100 4.777 4.777 4.777 . 0 0 "[ ]" 2
260 1 13 LYS H 1 14 CYS H . . 3.300 2.604 2.604 2.604 . 0 0 "[ ]" 2
261 1 13 LYS H 1 15 ALA HA . . 6.500 6.530 6.530 6.530 0.030 1 0 "[ ]" 2
262 1 13 LYS QB 1 14 CYS H . . 6.000 2.818 2.818 2.818 . 0 0 "[ ]" 2
263 1 13 LYS QB 1 82 PHE CZ . . 8.000 3.603 3.603 3.603 . 0 0 "[ ]" 2
264 1 13 LYS QB 1 82 PHE HZ . . 5.600 3.054 3.054 3.054 . 0 0 "[ ]" 2
265 1 13 LYS QG 1 14 CYS H . . 7.500 4.337 4.337 4.337 . 0 0 "[ ]" 2
266 1 13 LYS QG 1 82 PHE CZ . . 7.900 4.830 4.830 4.830 . 0 0 "[ ]" 2
267 1 13 LYS QE 1 82 PHE HZ . . 6.800 4.556 4.556 4.556 . 0 0 "[ ]" 2
268 1 13 LYS QE 1 85 ILE MD . . 7.500 3.532 3.532 3.532 . 0 0 "[ ]" 2
269 1 13 LYS QE 1 94 LEU QB . . 7.500 5.848 5.848 5.848 . 0 0 "[ ]" 2
270 1 14 CYS H 1 15 ALA HA . . 4.800 4.399 4.399 4.399 . 0 0 "[ ]" 2
271 1 14 CYS H 1 16 GLN H . . 4.800 4.549 4.549 4.549 . 0 0 "[ ]" 2
272 1 14 CYS HA 1 15 ALA HA . . 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 2
273 1 15 ALA H 1 15 ALA MB . . 3.300 2.271 2.271 2.271 . 0 0 "[ ]" 2
274 1 15 ALA H 1 16 GLN H . . 3.900 2.643 2.643 2.643 . 0 0 "[ ]" 2
275 1 15 ALA H 1 17 CYS H . . 5.000 4.610 4.610 4.610 . 0 0 "[ ]" 2
276 1 15 ALA H 1 18 HIS H . . 5.400 4.945 4.945 4.945 . 0 0 "[ ]" 2
277 1 15 ALA HA 1 16 GLN H . . 4.300 3.607 3.607 3.607 . 0 0 "[ ]" 2
278 1 15 ALA HA 1 16 GLN HE21 . . 6.500 6.638 6.638 6.638 0.138 1 0 "[ ]" 2
279 1 15 ALA HA 1 18 HIS H . . 3.000 3.037 3.037 3.037 0.037 1 0 "[ ]" 2
280 1 15 ALA HA 1 18 HIS HB2 . . 4.000 3.396 3.396 3.396 . 0 0 "[ ]" 2
281 1 15 ALA HA 1 18 HIS HB3 . . 4.700 4.464 4.464 4.464 . 0 0 "[ ]" 2
282 1 15 ALA MB 1 16 GLN H . . 3.400 2.850 2.850 2.850 . 0 0 "[ ]" 2
283 1 15 ALA MB 1 17 CYS H . . 5.400 4.505 4.505 4.505 . 0 0 "[ ]" 2
284 1 15 ALA MB 1 18 HIS H . . 4.700 3.990 3.990 3.990 . 0 0 "[ ]" 2
285 1 16 GLN H 1 16 GLN HB2 . . 3.300 2.422 2.422 2.422 . 0 0 "[ ]" 2
286 1 16 GLN H 1 16 GLN HB3 . . 3.400 2.593 2.593 2.593 . 0 0 "[ ]" 2
287 1 16 GLN H 1 16 GLN HG2 . . 4.800 4.602 4.602 4.602 . 0 0 "[ ]" 2
288 1 16 GLN H 1 16 GLN HG3 . . 4.400 4.485 4.485 4.485 0.085 1 0 "[ ]" 2
289 1 16 GLN H 1 16 GLN HE21 . . 6.500 4.674 4.674 4.674 . 0 0 "[ ]" 2
290 1 16 GLN H 1 16 GLN HE22 . . 6.500 5.448 5.448 5.448 . 0 0 "[ ]" 2
291 1 16 GLN H 1 17 CYS H . . 3.400 2.892 2.892 2.892 . 0 0 "[ ]" 2
292 1 16 GLN H 1 18 HIS H . . 4.600 4.051 4.051 4.051 . 0 0 "[ ]" 2
293 1 16 GLN HB2 1 17 CYS H . . 4.200 4.072 4.072 4.072 . 0 0 "[ ]" 2
294 1 16 GLN HB2 1 18 HIS H . . 6.200 5.722 5.722 5.722 . 0 0 "[ ]" 2
295 1 16 GLN HB3 1 17 CYS H . . 4.000 2.909 2.909 2.909 . 0 0 "[ ]" 2
296 1 16 GLN HB3 1 17 CYS HA . . 5.300 4.700 4.700 4.700 . 0 0 "[ ]" 2
297 1 16 GLN HB3 1 18 HIS H . . 5.400 5.038 5.038 5.038 . 0 0 "[ ]" 2
298 1 16 GLN HG2 1 17 CYS H . . 5.000 4.986 4.986 4.986 . 0 0 "[ ]" 2
299 1 16 GLN HG3 1 17 CYS H . . 4.900 3.997 3.997 3.997 . 0 0 "[ ]" 2
300 1 16 GLN HG3 1 18 HIS H . . 6.500 5.726 5.726 5.726 . 0 0 "[ ]" 2
301 1 16 GLN HE21 1 18 HIS H . . 6.500 5.309 5.309 5.309 . 0 0 "[ ]" 2
302 1 17 CYS H 1 18 HIS H . . 3.200 2.367 2.367 2.367 . 0 0 "[ ]" 2
303 1 17 CYS HA 1 18 HIS H . . 3.400 3.509 3.509 3.509 0.109 1 0 "[ ]" 2
304 1 17 CYS HA 1 18 HIS HA . . 6.200 4.599 4.599 4.599 . 0 0 "[ ]" 2
305 1 17 CYS HA 1 28 THR H . . 6.300 2.828 2.828 2.828 . 0 0 "[ ]" 2
306 1 17 CYS HA 1 28 THR HB . . 3.500 3.190 3.190 3.190 . 0 0 "[ ]" 2
307 1 17 CYS HA 1 28 THR MG . . 5.900 4.715 4.715 4.715 . 0 0 "[ ]" 2
308 1 17 CYS HA 1 29 GLY H . . 3.700 3.788 3.788 3.788 0.088 1 0 "[ ]" 2
309 1 17 CYS HA 1 29 GLY HA2 . . 5.500 5.470 5.470 5.470 . 0 0 "[ ]" 2
310 1 17 CYS HB3 1 27 LYS H . . 5.700 5.736 5.736 5.736 0.036 1 0 "[ ]" 2
311 1 17 CYS HB3 1 28 THR MG . . 4.500 3.762 3.762 3.762 . 0 0 "[ ]" 2
312 1 18 HIS H 1 18 HIS HB2 . . 4.000 2.617 2.617 2.617 . 0 0 "[ ]" 2
313 1 18 HIS H 1 18 HIS HB3 . . 4.200 3.753 3.753 3.753 . 0 0 "[ ]" 2
314 1 18 HIS H 1 19 THR H . . 4.600 4.483 4.483 4.483 . 0 0 "[ ]" 2
315 1 18 HIS H 1 19 THR HA . . 6.400 5.095 5.095 5.095 . 0 0 "[ ]" 2
316 1 18 HIS H 1 28 THR HB . . 6.500 6.450 6.450 6.450 . 0 0 "[ ]" 2
317 1 18 HIS H 1 29 GLY H . . 6.400 5.672 5.672 5.672 . 0 0 "[ ]" 2
318 1 18 HIS HA 1 18 HIS HB3 . . 3.000 2.586 2.586 2.586 . 0 0 "[ ]" 2
319 1 18 HIS HA 1 19 THR H . . 3.000 2.219 2.219 2.219 . 0 0 "[ ]" 2
320 1 18 HIS HA 1 19 THR HA . . 4.800 4.472 4.472 4.472 . 0 0 "[ ]" 2
321 1 18 HIS HA 1 19 THR HB . . 5.800 4.519 4.519 4.519 . 0 0 "[ ]" 2
322 1 18 HIS HA 1 19 THR MG . . 7.500 5.136 5.136 5.136 . 0 0 "[ ]" 2
323 1 18 HIS HA 1 31 ASN H . . 6.100 4.912 4.912 4.912 . 0 0 "[ ]" 2
324 1 18 HIS HA 1 31 ASN HA . . 4.700 3.954 3.954 3.954 . 0 0 "[ ]" 2
325 1 18 HIS HB3 1 19 THR H . . 3.900 2.671 2.671 2.671 . 0 0 "[ ]" 2
326 1 18 HIS HB3 1 19 THR HA . . 5.100 4.367 4.367 4.367 . 0 0 "[ ]" 2
327 1 18 HIS HB3 1 19 THR HB . . 6.500 5.061 5.061 5.061 . 0 0 "[ ]" 2
328 1 18 HIS HB3 1 32 LEU H . . 6.500 4.100 4.100 4.100 . 0 0 "[ ]" 2
329 1 18 HIS HB3 1 32 LEU HA . . 6.300 6.305 6.305 6.305 0.005 1 0 "[ ]" 2
330 1 18 HIS HB3 1 32 LEU MD1 . . 5.000 2.301 2.301 2.301 . 0 0 "[ ]" 2
331 1 18 HIS HB3 1 32 LEU MD2 . . 6.500 4.692 4.692 4.692 . 0 0 "[ ]" 2
332 1 19 THR H 1 19 THR HG1 . . 4.400 3.511 3.511 3.511 . 0 0 "[ ]" 2
333 1 19 THR H 1 20 VAL H . . 5.500 4.480 4.480 4.480 . 0 0 "[ ]" 2
334 1 19 THR H 1 31 ASN H . . 5.200 4.294 4.294 4.294 . 0 0 "[ ]" 2
335 1 19 THR H 1 31 ASN HA . . 3.100 2.218 2.218 2.218 . 0 0 "[ ]" 2
336 1 19 THR H 1 31 ASN HB2 . . 6.500 3.845 3.845 3.845 . 0 0 "[ ]" 2
337 1 19 THR H 1 31 ASN HB3 . . 5.400 5.025 5.025 5.025 . 0 0 "[ ]" 2
338 1 19 THR H 1 32 LEU H . . 4.000 3.177 3.177 3.177 . 0 0 "[ ]" 2
339 1 19 THR HA 1 20 VAL H . . 3.300 2.427 2.427 2.427 . 0 0 "[ ]" 2
340 1 19 THR HA 1 20 VAL MG1 . . 5.300 3.660 3.660 3.660 . 0 0 "[ ]" 2
341 1 19 THR HA 1 20 VAL MG2 . . 5.300 4.053 4.053 4.053 . 0 0 "[ ]" 2
342 1 19 THR HA 1 21 GLU H . . 5.500 3.870 3.870 3.870 . 0 0 "[ ]" 2
343 1 19 THR HA 1 31 ASN HA . . 4.600 4.309 4.309 4.309 . 0 0 "[ ]" 2
344 1 19 THR HA 1 31 ASN HB2 . . 6.500 5.118 5.118 5.118 . 0 0 "[ ]" 2
345 1 19 THR HA 1 31 ASN HB3 . . 6.500 6.557 6.557 6.557 0.057 1 0 "[ ]" 2
346 1 19 THR HB 1 20 VAL H . . 3.600 3.634 3.634 3.634 0.034 1 0 "[ ]" 2
347 1 19 THR HB 1 20 VAL MG1 . . 7.100 5.017 5.017 5.017 . 0 0 "[ ]" 2
348 1 19 THR HB 1 20 VAL MG2 . . 6.700 5.266 5.266 5.266 . 0 0 "[ ]" 2
349 1 19 THR HB 1 21 GLU H . . 5.100 3.432 3.432 3.432 . 0 0 "[ ]" 2
350 1 19 THR HB 1 24 GLY H . . 6.500 4.864 4.864 4.864 . 0 0 "[ ]" 2
351 1 19 THR HB 1 24 GLY HA3 . . 6.500 4.351 4.351 4.351 . 0 0 "[ ]" 2
352 1 19 THR HB 1 31 ASN HA . . 6.500 2.061 2.061 2.061 . 0 0 "[ ]" 2
353 1 19 THR HB 1 31 ASN HB2 . . 6.500 2.268 2.268 2.268 . 0 0 "[ ]" 2
354 1 19 THR HB 1 31 ASN HB3 . . 5.100 3.599 3.599 3.599 . 0 0 "[ ]" 2
355 1 19 THR HB 1 32 LEU H . . 6.500 3.477 3.477 3.477 . 0 0 "[ ]" 2
356 1 19 THR MG 1 20 VAL H . . 7.400 2.376 2.376 2.376 . 0 0 "[ ]" 2
357 1 19 THR MG 1 22 LYS H . . 4.900 2.418 2.418 2.418 . 0 0 "[ ]" 2
358 1 19 THR HG1 1 21 GLU H . . 6.500 5.087 5.087 5.087 . 0 0 "[ ]" 2
359 1 19 THR HG1 1 22 LYS HA . . 6.500 5.173 5.173 5.173 . 0 0 "[ ]" 2
360 1 19 THR HG1 1 24 GLY H . . 6.500 3.779 3.779 3.779 . 0 0 "[ ]" 2
361 1 19 THR HG1 1 24 GLY HA3 . . 6.000 2.772 2.772 2.772 . 0 0 "[ ]" 2
362 1 19 THR HG1 1 31 ASN H . . 6.100 4.527 4.527 4.527 . 0 0 "[ ]" 2
363 1 19 THR HG1 1 31 ASN HA . . 4.200 3.712 3.712 3.712 . 0 0 "[ ]" 2
364 1 19 THR HG1 1 31 ASN HB2 . . 4.200 2.635 2.635 2.635 . 0 0 "[ ]" 2
365 1 19 THR HG1 1 31 ASN HB3 . . 4.300 4.367 4.367 4.367 0.067 1 0 "[ ]" 2
366 1 20 VAL H 1 20 VAL HB . . 3.600 3.698 3.698 3.698 0.098 1 0 "[ ]" 2
367 1 20 VAL H 1 20 VAL MG2 . . 4.400 2.164 2.164 2.164 . 0 0 "[ ]" 2
368 1 20 VAL H 1 21 GLU H . . 4.600 2.155 2.155 2.155 . 0 0 "[ ]" 2
369 1 20 VAL H 1 31 ASN HB3 . . 6.500 6.855 6.855 6.855 0.355 1 0 "[ ]" 2
370 1 20 VAL HB 1 97 TYR QD . . 5.700 5.493 5.493 5.493 . 0 0 "[ ]" 2
371 1 20 VAL HB 1 97 TYR HE2 . . 5.200 4.315 4.315 4.315 . 0 0 "[ ]" 2
372 1 20 VAL HB 1 101 ALA MB . . 6.000 2.115 2.115 2.115 . 0 0 "[ ]" 2
373 1 20 VAL MG1 1 21 GLU H . . 7.500 4.159 4.159 4.159 . 0 0 "[ ]" 2
374 1 20 VAL MG1 1 97 TYR HE2 . . 5.400 2.158 2.158 2.158 . 0 0 "[ ]" 2
375 1 20 VAL MG1 1 98 LEU MD2 . . 6.600 2.171 2.171 2.171 . 0 0 "[ ]" 2
376 1 20 VAL MG2 1 21 GLU H . . 7.100 2.985 2.985 2.985 . 0 0 "[ ]" 2
377 1 20 VAL MG2 1 33 HIS QB . . 8.500 5.625 5.625 5.625 . 0 0 "[ ]" 2
378 1 20 VAL MG2 1 97 TYR HE2 . . 6.600 3.630 3.630 3.630 . 0 0 "[ ]" 2
379 1 20 VAL MG2 1 101 ALA HA . . 6.100 4.265 4.265 4.265 . 0 0 "[ ]" 2
380 1 21 GLU H 1 22 LYS H . . 6.300 2.350 2.350 2.350 . 0 0 "[ ]" 2
381 1 21 GLU HA 1 22 LYS H . . 4.500 3.629 3.629 3.629 . 0 0 "[ ]" 2
382 1 21 GLU QB 1 22 LYS H . . 6.600 2.239 2.239 2.239 . 0 0 "[ ]" 2
383 1 22 LYS H 1 22 LYS HB2 . . 3.400 2.566 2.566 2.566 . 0 0 "[ ]" 2
384 1 22 LYS H 1 23 GLY H . . 6.300 4.401 4.401 4.401 . 0 0 "[ ]" 2
385 1 22 LYS HA 1 22 LYS QE . . 5.900 4.626 4.626 4.626 . 0 0 "[ ]" 2
386 1 22 LYS HA 1 23 GLY H . . 3.400 2.434 2.434 2.434 . 0 0 "[ ]" 2
387 1 22 LYS HA 1 23 GLY HA2 . . 5.200 4.619 4.619 4.619 . 0 0 "[ ]" 2
388 1 22 LYS HA 1 23 GLY HA3 . . 6.500 4.615 4.615 4.615 . 0 0 "[ ]" 2
389 1 22 LYS HA 1 24 GLY H . . 5.300 4.302 4.302 4.302 . 0 0 "[ ]" 2
390 1 22 LYS HB2 1 23 GLY H . . 5.200 3.751 3.751 3.751 . 0 0 "[ ]" 2
391 1 22 LYS HB3 1 23 GLY H . . 4.300 2.389 2.389 2.389 . 0 0 "[ ]" 2
392 1 22 LYS QG 1 23 GLY H . . 7.300 3.365 3.365 3.365 . 0 0 "[ ]" 2
393 1 22 LYS QD 1 23 GLY H . . 6.900 4.589 4.589 4.589 . 0 0 "[ ]" 2
394 1 22 LYS QE 1 23 GLY H . . 7.500 5.571 5.571 5.571 . 0 0 "[ ]" 2
395 1 23 GLY H 1 24 GLY H . . 4.600 3.647 3.647 3.647 . 0 0 "[ ]" 2
396 1 23 GLY HA2 1 24 GLY H . . 6.100 3.569 3.569 3.569 . 0 0 "[ ]" 2
397 1 24 GLY H 1 25 LYS H . . 5.800 4.637 4.637 4.637 . 0 0 "[ ]" 2
398 1 24 GLY HA2 1 25 LYS H . . 6.500 2.229 2.229 2.229 . 0 0 "[ ]" 2
399 1 24 GLY HA3 1 25 LYS H . . 5.000 3.093 3.093 3.093 . 0 0 "[ ]" 2
400 1 25 LYS H 1 25 LYS HB2 . . 3.800 2.437 2.437 2.437 . 0 0 "[ ]" 2
401 1 25 LYS H 1 25 LYS HB3 . . 3.600 3.672 3.672 3.672 0.072 1 0 "[ ]" 2
402 1 25 LYS H 1 25 LYS HG2 . . 4.400 4.011 4.011 4.011 . 0 0 "[ ]" 2
403 1 25 LYS H 1 25 LYS HG3 . . 4.400 2.711 2.711 2.711 . 0 0 "[ ]" 2
404 1 25 LYS H 1 25 LYS QD . . 5.900 3.798 3.798 3.798 . 0 0 "[ ]" 2
405 1 25 LYS H 1 25 LYS QE . . 7.300 4.076 4.076 4.076 . 0 0 "[ ]" 2
406 1 25 LYS HA 1 25 LYS HG2 . . 4.500 2.682 2.682 2.682 . 0 0 "[ ]" 2
407 1 25 LYS HA 1 25 LYS HG3 . . 4.300 2.847 2.847 2.847 . 0 0 "[ ]" 2
408 1 25 LYS HA 1 26 HIS HD2 . . 6.500 3.926 3.926 3.926 . 0 0 "[ ]" 2
409 1 25 LYS HB2 1 26 HIS H . . 3.800 3.631 3.631 3.631 . 0 0 "[ ]" 2
410 1 25 LYS HB3 1 26 HIS H . . 4.000 2.505 2.505 2.505 . 0 0 "[ ]" 2
411 1 25 LYS HG2 1 26 HIS H . . 4.700 4.131 4.131 4.131 . 0 0 "[ ]" 2
412 1 25 LYS HG3 1 26 HIS H . . 4.900 4.763 4.763 4.763 . 0 0 "[ ]" 2
413 1 26 HIS H 1 26 HIS HB2 . . 3.900 2.286 2.286 2.286 . 0 0 "[ ]" 2
414 1 26 HIS H 1 26 HIS HB3 . . 4.200 3.527 3.527 3.527 . 0 0 "[ ]" 2
415 1 26 HIS H 1 26 HIS HD2 . . 6.300 2.692 2.692 2.692 . 0 0 "[ ]" 2
416 1 26 HIS H 1 27 LYS HA . . 6.200 5.289 5.289 5.289 . 0 0 "[ ]" 2
417 1 26 HIS H 1 31 ASN H . . 6.000 5.724 5.724 5.724 . 0 0 "[ ]" 2
418 1 26 HIS HA 1 31 ASN H . . 4.700 4.462 4.462 4.462 . 0 0 "[ ]" 2
419 1 26 HIS HB2 1 27 LYS H . . 6.100 4.556 4.556 4.556 . 0 0 "[ ]" 2
420 1 26 HIS HB3 1 27 LYS H . . 5.200 4.341 4.341 4.341 . 0 0 "[ ]" 2
421 1 26 HIS HB3 1 31 ASN H . . 6.500 5.678 5.678 5.678 . 0 0 "[ ]" 2
422 1 26 HIS HD2 1 30 PRO HB3 . . 6.500 6.618 6.618 6.618 0.118 1 0 "[ ]" 2
423 1 26 HIS HE1 1 30 PRO HA . . 4.600 2.485 2.485 2.485 . 0 0 "[ ]" 2
424 1 26 HIS HE1 1 30 PRO HB3 . . 4.100 2.895 2.895 2.895 . 0 0 "[ ]" 2
425 1 26 HIS HE1 1 30 PRO HB2 . . 3.000 2.860 2.860 2.860 . 0 0 "[ ]" 2
426 1 26 HIS HE1 1 30 PRO QG . . 4.100 4.513 4.513 4.513 0.413 1 0 "[ ]" 2
427 1 26 HIS HE1 1 30 PRO HD3 . . 6.500 5.315 5.315 5.315 . 0 0 "[ ]" 2
428 1 26 HIS HE1 1 31 ASN H . . 3.700 2.159 2.159 2.159 . 0 0 "[ ]" 2
429 1 26 HIS HE1 1 31 ASN HA . . 5.800 4.896 4.896 4.896 . 0 0 "[ ]" 2
430 1 26 HIS HE1 1 31 ASN HB2 . . 4.200 4.219 4.219 4.219 0.019 1 0 "[ ]" 2
431 1 26 HIS HE1 1 31 ASN HB3 . . 3.500 3.361 3.361 3.361 . 0 0 "[ ]" 2
432 1 26 HIS HE1 1 44 PRO HA . . 6.500 5.964 5.964 5.964 . 0 0 "[ ]" 2
433 1 26 HIS HE1 1 46 PHE HB2 . . 5.000 2.902 2.902 2.902 . 0 0 "[ ]" 2
434 1 26 HIS HE1 1 46 PHE HD1 . . 6.500 4.376 4.376 4.376 . 0 0 "[ ]" 2
435 1 26 HIS HE1 1 46 PHE HD2 . . 6.300 5.719 5.719 5.719 . 0 0 "[ ]" 2
436 1 28 THR H 1 29 GLY H . . 6.500 2.043 2.043 2.043 . 0 0 "[ ]" 2
437 1 28 THR HA 1 29 GLY H . . 3.300 3.237 3.237 3.237 . 0 0 "[ ]" 2
438 1 28 THR HA 1 29 GLY HA2 . . 5.400 4.300 4.300 4.300 . 0 0 "[ ]" 2
439 1 28 THR HB 1 29 GLY HA3 . . 5.100 4.829 4.829 4.829 . 0 0 "[ ]" 2
440 1 28 THR MG 1 29 GLY H . . 5.800 4.500 4.500 4.500 . 0 0 "[ ]" 2
441 1 28 THR MG 1 79 LYS HG2 . . 7.500 3.439 3.439 3.439 . 0 0 "[ ]" 2
442 1 28 THR MG 1 79 LYS QE . . 8.500 2.971 2.971 2.971 . 0 0 "[ ]" 2
443 1 28 THR MG 1 81 ILE H . . 7.500 4.981 4.981 4.981 . 0 0 "[ ]" 2
444 1 29 GLY H 1 30 PRO HA . . 5.500 4.249 4.249 4.249 . 0 0 "[ ]" 2
445 1 29 GLY H 1 30 PRO HB2 . . 6.400 6.602 6.602 6.602 0.202 1 0 "[ ]" 2
446 1 29 GLY H 1 30 PRO QG . . 5.900 5.620 5.620 5.620 . 0 0 "[ ]" 2
447 1 29 GLY H 1 30 PRO HD2 . . 6.500 4.670 4.670 4.670 . 0 0 "[ ]" 2
448 1 29 GLY H 1 30 PRO HD3 . . 6.300 4.283 4.283 4.283 . 0 0 "[ ]" 2
449 1 29 GLY H 1 31 ASN H . . 5.800 5.841 5.841 5.841 0.041 1 0 "[ ]" 2
450 1 29 GLY HA2 1 31 ASN H . . 6.100 6.193 6.193 6.193 0.093 1 0 "[ ]" 2
451 1 29 GLY HA2 1 46 PHE HE2 . . 4.700 4.387 4.387 4.387 . 0 0 "[ ]" 2
452 1 29 GLY HA2 1 46 PHE HZ . . 3.600 3.160 3.160 3.160 . 0 0 "[ ]" 2
453 1 29 GLY HA3 1 30 PRO HA . . 5.500 4.711 4.711 4.711 . 0 0 "[ ]" 2
454 1 29 GLY HA3 1 30 PRO QG . . 6.500 4.613 4.613 4.613 . 0 0 "[ ]" 2
455 1 29 GLY HA3 1 30 PRO HD2 . . 4.900 3.087 3.087 3.087 . 0 0 "[ ]" 2
456 1 29 GLY HA3 1 30 PRO HD3 . . 4.400 3.783 3.783 3.783 . 0 0 "[ ]" 2
457 1 29 GLY HA3 1 46 PHE HE1 . . 5.700 4.867 4.867 4.867 . 0 0 "[ ]" 2
458 1 29 GLY HA3 1 46 PHE HZ . . 4.800 4.813 4.813 4.813 0.013 1 0 "[ ]" 2
459 1 30 PRO HA 1 30 PRO QG . . 3.600 3.450 3.450 3.450 . 0 0 "[ ]" 2
460 1 30 PRO HA 1 31 ASN H . . 3.200 2.111 2.111 2.111 . 0 0 "[ ]" 2
461 1 30 PRO HA 1 43 ALA MB . . 6.600 4.281 4.281 4.281 . 0 0 "[ ]" 2
462 1 30 PRO HB3 1 31 ASN H . . 3.900 3.701 3.701 3.701 . 0 0 "[ ]" 2
463 1 30 PRO HB3 1 46 PHE HD1 . . 6.500 3.814 3.814 3.814 . 0 0 "[ ]" 2
464 1 30 PRO HB2 1 31 ASN H . . 4.600 3.109 3.109 3.109 . 0 0 "[ ]" 2
465 1 30 PRO QG 1 46 PHE HD1 . . 5.500 5.304 5.304 5.304 . 0 0 "[ ]" 2
466 1 30 PRO QG 1 46 PHE HD2 . . 6.500 3.343 3.343 3.343 . 0 0 "[ ]" 2
467 1 30 PRO QG 1 46 PHE HE1 . . 6.500 5.474 5.474 5.474 . 0 0 "[ ]" 2
468 1 30 PRO QG 1 31 ASN H . . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 2
469 1 30 PRO QG 1 43 ALA MB . . 5.600 2.545 2.545 2.545 . 0 0 "[ ]" 2
470 1 30 PRO HD2 1 46 PHE HE1 . . 5.800 5.187 5.187 5.187 . 0 0 "[ ]" 2
471 1 30 PRO HD2 1 46 PHE HE2 . . 6.100 4.349 4.349 4.349 . 0 0 "[ ]" 2
472 1 30 PRO HD2 1 46 PHE HZ . . 5.200 4.403 4.403 4.403 . 0 0 "[ ]" 2
473 1 30 PRO HD3 1 31 ASN H . . 6.500 5.364 5.364 5.364 . 0 0 "[ ]" 2
474 1 30 PRO HD3 1 46 PHE HD1 . . 6.200 4.364 4.364 4.364 . 0 0 "[ ]" 2
475 1 30 PRO HD3 1 46 PHE HE1 . . 6.500 3.809 3.809 3.809 . 0 0 "[ ]" 2
476 1 30 PRO HD3 1 46 PHE HE2 . . 4.900 3.038 3.038 3.038 . 0 0 "[ ]" 2
477 1 30 PRO HD3 1 46 PHE HZ . . 4.300 3.174 3.174 3.174 . 0 0 "[ ]" 2
478 1 31 ASN H 1 31 ASN HB2 . . 3.600 2.584 2.584 2.584 . 0 0 "[ ]" 2
479 1 31 ASN H 1 31 ASN HB3 . . 3.400 2.370 2.370 2.370 . 0 0 "[ ]" 2
480 1 31 ASN H 1 32 LEU H . . 5.800 4.431 4.431 4.431 . 0 0 "[ ]" 2
481 1 31 ASN H 1 32 LEU MD2 . . 7.500 6.053 6.053 6.053 . 0 0 "[ ]" 2
482 1 31 ASN H 1 46 PHE HB2 . . 6.500 4.751 4.751 4.751 . 0 0 "[ ]" 2
483 1 31 ASN H 1 46 PHE HD1 . . 6.500 5.447 5.447 5.447 . 0 0 "[ ]" 2
484 1 31 ASN HA 1 32 LEU H . . 3.200 2.111 2.111 2.111 . 0 0 "[ ]" 2
485 1 31 ASN HB2 1 32 LEU H . . 5.700 4.360 4.360 4.360 . 0 0 "[ ]" 2
486 1 32 LEU H 1 32 LEU HG . . 4.200 2.462 2.462 2.462 . 0 0 "[ ]" 2
487 1 32 LEU H 1 33 HIS H . . 5.000 3.650 3.650 3.650 . 0 0 "[ ]" 2
488 1 32 LEU HA 1 35 LEU MD1 . . 7.500 3.238 3.238 3.238 . 0 0 "[ ]" 2
489 1 32 LEU HA 1 35 LEU MD2 . . 7.500 4.834 4.834 4.834 . 0 0 "[ ]" 2
490 1 32 LEU QB 1 35 LEU MD2 . . 6.100 2.992 2.992 2.992 . 0 0 "[ ]" 2
491 1 32 LEU MD1 1 64 LEU MD2 . . 7.800 4.866 4.866 4.866 . 0 0 "[ ]" 2
492 1 32 LEU MD1 1 98 LEU MD1 . . 8.500 3.579 3.579 3.579 . 0 0 "[ ]" 2
493 1 32 LEU MD2 1 35 LEU MD1 . . 5.800 1.992 1.992 1.992 . 0 0 "[ ]" 2
494 1 32 LEU MD2 1 35 LEU MD2 . . 8.500 2.368 2.368 2.368 . 0 0 "[ ]" 2
495 1 33 HIS H 1 34 GLY HA3 . . 6.500 4.969 4.969 4.969 . 0 0 "[ ]" 2
496 1 34 GLY H 1 35 LEU H . . 4.400 3.566 3.566 3.566 . 0 0 "[ ]" 2
497 1 34 GLY HA2 1 35 LEU H . . 6.500 2.303 2.303 2.303 . 0 0 "[ ]" 2
498 1 34 GLY HA3 1 35 LEU H . . 4.900 3.507 3.507 3.507 . 0 0 "[ ]" 2
499 1 34 GLY HA3 1 102 THR MG . . 7.400 4.620 4.620 4.620 . 0 0 "[ ]" 2
500 1 35 LEU H 1 35 LEU HB2 . . 3.000 2.528 2.528 2.528 . 0 0 "[ ]" 2
501 1 35 LEU H 1 35 LEU HB3 . . 3.500 3.215 3.215 3.215 . 0 0 "[ ]" 2
502 1 35 LEU H 1 35 LEU MD1 . . 5.200 3.773 3.773 3.773 . 0 0 "[ ]" 2
503 1 35 LEU H 1 36 PHE H . . 4.200 4.147 4.147 4.147 . 0 0 "[ ]" 2
504 1 35 LEU HA 1 35 LEU HB3 . . 2.900 2.920 2.920 2.920 0.020 1 0 "[ ]" 2
505 1 35 LEU HA 1 35 LEU MD1 . . 4.000 2.073 2.073 2.073 . 0 0 "[ ]" 2
506 1 35 LEU HA 1 35 LEU MD2 . . 4.700 3.766 3.766 3.766 . 0 0 "[ ]" 2
507 1 35 LEU HA 1 36 PHE H . . 5.000 3.015 3.015 3.015 . 0 0 "[ ]" 2
508 1 35 LEU HB2 1 36 PHE CG . . 6.100 4.371 4.371 4.371 . 0 0 "[ ]" 2
509 1 35 LEU HB2 1 36 PHE CZ . . 6.900 4.377 4.377 4.377 . 0 0 "[ ]" 2
510 1 35 LEU HB2 1 36 PHE HZ . . 4.800 4.864 4.864 4.864 0.064 1 0 "[ ]" 2
511 1 35 LEU HB3 1 36 PHE H . . 5.800 1.965 1.965 1.965 . 0 0 "[ ]" 2
512 1 35 LEU HB3 1 36 PHE CG . . 6.900 2.975 2.975 2.975 . 0 0 "[ ]" 2
513 1 35 LEU HB3 1 36 PHE CZ . . 6.600 3.392 3.392 3.392 . 0 0 "[ ]" 2
514 1 35 LEU HB3 1 36 PHE HZ . . 6.200 4.120 4.120 4.120 . 0 0 "[ ]" 2
515 1 35 LEU HG 1 36 PHE H . . 6.200 2.675 2.675 2.675 . 0 0 "[ ]" 2
516 1 35 LEU HG 1 36 PHE HA . . 4.800 4.807 4.807 4.807 0.007 1 0 "[ ]" 2
517 1 35 LEU HG 1 59 TRP HD1 . . 4.600 3.721 3.721 3.721 . 0 0 "[ ]" 2
518 1 35 LEU HG 1 64 LEU MD2 . . 7.500 4.095 4.095 4.095 . 0 0 "[ ]" 2
519 1 35 LEU HG 1 64 LEU MD1 . . 6.600 2.790 2.790 2.790 . 0 0 "[ ]" 2
520 1 35 LEU MD1 1 36 PHE H . . 6.800 3.974 3.974 3.974 . 0 0 "[ ]" 2
521 1 35 LEU MD1 1 36 PHE CG . . 9.400 5.692 5.692 5.692 . 0 0 "[ ]" 2
522 1 35 LEU MD1 1 40 THR HA . . 7.500 5.232 5.232 5.232 . 0 0 "[ ]" 2
523 1 35 LEU MD1 1 59 TRP HD1 . . 4.200 2.789 2.789 2.789 . 0 0 "[ ]" 2
524 1 35 LEU MD1 1 59 TRP HE3 . . 7.500 5.406 5.406 5.406 . 0 0 "[ ]" 2
525 1 35 LEU MD1 1 59 TRP HE1 . . 5.700 4.098 4.098 4.098 . 0 0 "[ ]" 2
526 1 35 LEU MD1 1 64 LEU MD1 . . 6.700 3.805 3.805 3.805 . 0 0 "[ ]" 2
527 1 35 LEU MD2 1 36 PHE H . . 6.300 3.428 3.428 3.428 . 0 0 "[ ]" 2
528 1 35 LEU MD2 1 36 PHE HA . . 7.100 5.135 5.135 5.135 . 0 0 "[ ]" 2
529 1 35 LEU MD2 1 36 PHE CG . . 7.000 4.254 4.254 4.254 . 0 0 "[ ]" 2
530 1 35 LEU MD2 1 59 TRP H . . 7.500 6.162 6.162 6.162 . 0 0 "[ ]" 2
531 1 35 LEU MD2 1 59 TRP HD1 . . 6.000 4.555 4.555 4.555 . 0 0 "[ ]" 2
532 1 35 LEU MD2 1 59 TRP HE3 . . 6.900 4.736 4.736 4.736 . 0 0 "[ ]" 2
533 1 35 LEU MD2 1 59 TRP HE1 . . 7.500 5.419 5.419 5.419 . 0 0 "[ ]" 2
534 1 35 LEU MD2 1 59 TRP HZ2 . . 7.500 6.270 6.270 6.270 . 0 0 "[ ]" 2
535 1 35 LEU MD2 1 64 LEU MD2 . . 5.700 2.389 2.389 2.389 . 0 0 "[ ]" 2
536 1 35 LEU MD2 1 64 LEU MD1 . . 5.600 1.997 1.997 1.997 . 0 0 "[ ]" 2
537 1 35 LEU MD2 1 98 LEU MD1 . . 6.100 3.673 3.673 3.673 . 0 0 "[ ]" 2
538 1 35 LEU MD2 1 102 THR H . . 7.500 5.876 5.876 5.876 . 0 0 "[ ]" 2
539 1 35 LEU MD2 1 102 THR HG1 . . 7.500 5.799 5.799 5.799 . 0 0 "[ ]" 2
540 1 36 PHE H 1 36 PHE HB2 . . 3.600 3.340 3.340 3.340 . 0 0 "[ ]" 2
541 1 36 PHE H 1 36 PHE HB3 . . 3.700 3.748 3.748 3.748 0.048 1 0 "[ ]" 2
542 1 36 PHE CZ 1 36 PHE H . . 6.600 4.251 4.251 4.251 . 0 0 "[ ]" 2
543 1 36 PHE H 1 37 GLY H . . 5.500 3.361 3.361 3.361 . 0 0 "[ ]" 2
544 1 36 PHE HA 1 37 GLY H . . 3.300 2.531 2.531 2.531 . 0 0 "[ ]" 2
545 1 36 PHE HB2 1 37 GLY H . . 4.700 4.451 4.451 4.451 . 0 0 "[ ]" 2
546 1 36 PHE HB2 1 99 LYS HA . . 5.300 4.681 4.681 4.681 . 0 0 "[ ]" 2
547 1 36 PHE HB2 1 102 THR HG1 . . 5.900 3.862 3.862 3.862 . 0 0 "[ ]" 2
548 1 36 PHE HB3 1 37 GLY H . . 4.400 4.410 4.410 4.410 0.010 1 0 "[ ]" 2
549 1 36 PHE HB3 1 102 THR HG1 . . 6.500 5.527 5.527 5.527 . 0 0 "[ ]" 2
550 1 36 PHE CG 1 37 GLY H . . 7.700 5.057 5.057 5.057 . 0 0 "[ ]" 2
551 1 36 PHE CG 1 59 TRP H . . 8.500 7.607 7.607 7.607 . 0 0 "[ ]" 2
552 1 36 PHE CG 1 60 LYS HA . . 6.000 3.901 3.901 3.901 . 0 0 "[ ]" 2
553 1 36 PHE CG 1 60 LYS QB . . 9.500 5.919 5.919 5.919 . 0 0 "[ ]" 2
554 1 36 PHE CG 1 60 LYS QG . . 9.500 4.644 4.644 4.644 . 0 0 "[ ]" 2
555 1 36 PHE CG 1 61 GLU H . . 7.500 4.545 4.545 4.545 . 0 0 "[ ]" 2
556 1 36 PHE CG 1 61 GLU HA . . 7.000 5.698 5.698 5.698 . 0 0 "[ ]" 2
557 1 36 PHE CG 1 64 LEU MD2 . . 9.500 6.451 6.451 6.451 . 0 0 "[ ]" 2
558 1 36 PHE CG 1 64 LEU MD1 . . 8.200 4.196 4.196 4.196 . 0 0 "[ ]" 2
559 1 36 PHE CG 1 98 LEU HA . . 8.500 7.408 7.408 7.408 . 0 0 "[ ]" 2
560 1 36 PHE CG 1 98 LEU QB . . 8.400 5.331 5.331 5.331 . 0 0 "[ ]" 2
561 1 36 PHE CG 1 98 LEU MD1 . . 9.500 7.073 7.073 7.073 . 0 0 "[ ]" 2
562 1 36 PHE CG 1 99 LYS H . . 8.500 5.793 5.793 5.793 . 0 0 "[ ]" 2
563 1 36 PHE CG 1 99 LYS HA . . 6.300 3.908 3.908 3.908 . 0 0 "[ ]" 2
564 1 36 PHE CG 1 99 LYS QB . . 7.900 4.956 4.956 4.956 . 0 0 "[ ]" 2
565 1 36 PHE CG 1 99 LYS QG . . 9.500 3.024 3.024 3.024 . 0 0 "[ ]" 2
566 1 36 PHE CG 1 102 THR MG . . 9.500 4.584 4.584 4.584 . 0 0 "[ ]" 2
567 1 36 PHE CG 1 102 THR HG1 . . 7.800 4.945 4.945 4.945 . 0 0 "[ ]" 2
568 1 36 PHE CZ 1 37 GLY H . . 8.500 7.290 7.290 7.290 . 0 0 "[ ]" 2
569 1 36 PHE CZ 1 60 LYS HA . . 8.000 5.147 5.147 5.147 . 0 0 "[ ]" 2
570 1 36 PHE CZ 1 61 GLU H . . 7.000 5.046 5.046 5.046 . 0 0 "[ ]" 2
571 1 36 PHE CZ 1 61 GLU HA . . 6.400 4.675 4.675 4.675 . 0 0 "[ ]" 2
572 1 36 PHE CZ 1 61 GLU QB . . 9.500 4.169 4.169 4.169 . 0 0 "[ ]" 2
573 1 36 PHE CZ 1 62 GLU H . . 8.500 7.489 7.489 7.489 . 0 0 "[ ]" 2
574 1 36 PHE CZ 1 64 LEU MD2 . . 9.000 4.912 4.912 4.912 . 0 0 "[ ]" 2
575 1 36 PHE CZ 1 64 LEU MD1 . . 6.900 3.077 3.077 3.077 . 0 0 "[ ]" 2
576 1 36 PHE CZ 1 95 ILE HA . . 7.800 3.890 3.890 3.890 . 0 0 "[ ]" 2
577 1 36 PHE CZ 1 95 ILE HB . . 8.200 5.962 5.962 5.962 . 0 0 "[ ]" 2
578 1 36 PHE CZ 1 95 ILE MG . . 9.200 3.968 3.968 3.968 . 0 0 "[ ]" 2
579 1 36 PHE CZ 1 95 ILE MD . . 9.500 4.760 4.760 4.760 . 0 0 "[ ]" 2
580 1 36 PHE CZ 1 98 LEU H . . 8.000 5.553 5.553 5.553 . 0 0 "[ ]" 2
581 1 36 PHE CZ 1 98 LEU HA . . 7.500 5.601 5.601 5.601 . 0 0 "[ ]" 2
582 1 36 PHE CZ 1 98 LEU QB . . 5.800 3.271 3.271 3.271 . 0 0 "[ ]" 2
583 1 36 PHE CZ 1 98 LEU MD1 . . 7.700 4.857 4.857 4.857 . 0 0 "[ ]" 2
584 1 36 PHE CZ 1 98 LEU MD2 . . 7.900 5.064 5.064 5.064 . 0 0 "[ ]" 2
585 1 36 PHE CZ 1 99 LYS H . . 6.900 3.967 3.967 3.967 . 0 0 "[ ]" 2
586 1 36 PHE CZ 1 99 LYS HA . . 5.900 3.648 3.648 3.648 . 0 0 "[ ]" 2
587 1 36 PHE CZ 1 99 LYS QG . . 9.500 2.561 2.561 2.561 . 0 0 "[ ]" 2
588 1 36 PHE CZ 1 99 LYS QD . . 7.300 4.024 4.024 4.024 . 0 0 "[ ]" 2
589 1 36 PHE CZ 1 102 THR MG . . 9.500 4.244 4.244 4.244 . 0 0 "[ ]" 2
590 1 36 PHE HZ 1 60 LYS HA . . 6.500 5.939 5.939 5.939 . 0 0 "[ ]" 2
591 1 36 PHE HZ 1 61 GLU H . . 6.500 5.619 5.619 5.619 . 0 0 "[ ]" 2
592 1 36 PHE HZ 1 61 GLU HA . . 4.700 4.704 4.704 4.704 0.004 1 0 "[ ]" 2
593 1 36 PHE HZ 1 64 LEU MD2 . . 6.500 4.525 4.525 4.525 . 0 0 "[ ]" 2
594 1 36 PHE HZ 1 64 LEU MD1 . . 4.500 2.976 2.976 2.976 . 0 0 "[ ]" 2
595 1 36 PHE HZ 1 95 ILE HA . . 4.400 2.901 2.901 2.901 . 0 0 "[ ]" 2
596 1 36 PHE HZ 1 95 ILE HB . . 5.100 5.182 5.182 5.182 0.082 1 0 "[ ]" 2
597 1 36 PHE HZ 1 95 ILE MG . . 6.000 3.656 3.656 3.656 . 0 0 "[ ]" 2
598 1 36 PHE HZ 1 95 ILE QG . . 3.100 2.697 2.697 2.697 . 0 0 "[ ]" 2
599 1 36 PHE HZ 1 95 ILE MD . . 7.500 4.331 4.331 4.331 . 0 0 "[ ]" 2
600 1 36 PHE HZ 1 98 LEU HA . . 6.000 5.135 5.135 5.135 . 0 0 "[ ]" 2
601 1 36 PHE HZ 1 98 LEU QB . . 4.200 2.646 2.646 2.646 . 0 0 "[ ]" 2
602 1 36 PHE HZ 1 98 LEU MD1 . . 5.700 4.065 4.065 4.065 . 0 0 "[ ]" 2
603 1 36 PHE HZ 1 98 LEU MD2 . . 7.100 4.635 4.635 4.635 . 0 0 "[ ]" 2
604 1 36 PHE HZ 1 99 LYS HA . . 4.000 4.055 4.055 4.055 0.055 1 0 "[ ]" 2
605 1 36 PHE HZ 1 99 LYS QB . . 6.500 4.609 4.609 4.609 . 0 0 "[ ]" 2
606 1 36 PHE HZ 1 99 LYS QG . . 7.500 2.688 2.688 2.688 . 0 0 "[ ]" 2
607 1 36 PHE HZ 1 99 LYS QD . . 5.900 4.193 4.193 4.193 . 0 0 "[ ]" 2
608 1 37 GLY H 1 38 ARG H . . 3.900 2.721 2.721 2.721 . 0 0 "[ ]" 2
609 1 37 GLY H 1 58 THR MG . . 5.800 4.219 4.219 4.219 . 0 0 "[ ]" 2
610 1 37 GLY H 1 60 LYS HA . . 5.300 3.849 3.849 3.849 . 0 0 "[ ]" 2
611 1 37 GLY HA2 1 58 THR MG . . 6.100 3.964 3.964 3.964 . 0 0 "[ ]" 2
612 1 38 ARG H 1 38 ARG HB2 . . 3.500 2.306 2.306 2.306 . 0 0 "[ ]" 2
613 1 38 ARG H 1 38 ARG HB3 . . 3.900 3.579 3.579 3.579 . 0 0 "[ ]" 2
614 1 38 ARG HB2 1 59 TRP HD1 . . 5.100 4.842 4.842 4.842 . 0 0 "[ ]" 2
615 1 38 ARG HB3 1 40 THR H . . 6.400 6.240 6.240 6.240 . 0 0 "[ ]" 2
616 1 38 ARG HB3 1 59 TRP HD1 . . 5.300 4.685 4.685 4.685 . 0 0 "[ ]" 2
617 1 39 LYS H 1 58 THR HA . . 6.100 4.544 4.544 4.544 . 0 0 "[ ]" 2
618 1 39 LYS H 1 59 TRP H . . 4.500 4.521 4.521 4.521 0.021 1 0 "[ ]" 2
619 1 39 LYS HB2 1 40 THR H . . 4.000 3.581 3.581 3.581 . 0 0 "[ ]" 2
620 1 39 LYS HB3 1 40 THR H . . 4.100 2.439 2.439 2.439 . 0 0 "[ ]" 2
621 1 39 LYS QG 1 40 THR H . . 7.500 3.921 3.921 3.921 . 0 0 "[ ]" 2
622 1 40 THR H 1 40 THR MG . . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 2
623 1 40 THR H 1 41 GLY H . . 5.700 4.013 4.013 4.013 . 0 0 "[ ]" 2
624 1 40 THR H 1 56 GLY H . . 5.700 5.288 5.288 5.288 . 0 0 "[ ]" 2
625 1 40 THR H 1 57 ILE H . . 4.300 2.676 2.676 2.676 . 0 0 "[ ]" 2
626 1 40 THR H 1 57 ILE QG . . 6.500 3.614 3.614 3.614 . 0 0 "[ ]" 2
627 1 40 THR H 1 57 ILE MD . . 6.000 5.039 5.039 5.039 . 0 0 "[ ]" 2
628 1 40 THR H 1 59 TRP HB3 . . 6.500 6.504 6.504 6.504 0.004 1 0 "[ ]" 2
629 1 40 THR HA 1 41 GLY H . . 3.900 3.373 3.373 3.373 . 0 0 "[ ]" 2
630 1 40 THR HA 1 59 TRP HD1 . . 4.400 2.967 2.967 2.967 . 0 0 "[ ]" 2
631 1 40 THR HA 1 59 TRP HE3 . . 6.500 5.727 5.727 5.727 . 0 0 "[ ]" 2
632 1 40 THR HA 1 59 TRP HE1 . . 3.400 2.278 2.278 2.278 . 0 0 "[ ]" 2
633 1 40 THR HB 1 41 GLY H . . 5.200 1.966 1.966 1.966 . 0 0 "[ ]" 2
634 1 40 THR HB 1 56 GLY H . . 5.700 4.586 4.586 4.586 . 0 0 "[ ]" 2
635 1 40 THR HB 1 59 TRP HE1 . . 6.500 4.184 4.184 4.184 . 0 0 "[ ]" 2
636 1 40 THR MG 1 41 GLY H . . 6.600 3.637 3.637 3.637 . 0 0 "[ ]" 2
637 1 40 THR MG 1 41 GLY QA . . 5.900 4.873 4.873 4.873 . 0 0 "[ ]" 2
638 1 40 THR MG 1 55 LYS H . . 6.900 5.218 5.218 5.218 . 0 0 "[ ]" 2
639 1 40 THR MG 1 55 LYS HB2 . . 5.500 4.141 4.141 4.141 . 0 0 "[ ]" 2
640 1 40 THR MG 1 55 LYS QD . . 8.500 3.689 3.689 3.689 . 0 0 "[ ]" 2
641 1 40 THR MG 1 56 GLY H . . 5.500 3.731 3.731 3.731 . 0 0 "[ ]" 2
642 1 40 THR MG 1 59 TRP H . . 7.500 3.811 3.811 3.811 . 0 0 "[ ]" 2
643 1 40 THR MG 1 59 TRP HD1 . . 7.000 4.107 4.107 4.107 . 0 0 "[ ]" 2
644 1 40 THR MG 1 59 TRP HE3 . . 6.100 4.183 4.183 4.183 . 0 0 "[ ]" 2
645 1 40 THR MG 1 59 TRP HE1 . . 4.900 3.438 3.438 3.438 . 0 0 "[ ]" 2
646 1 40 THR MG 1 59 TRP HZ3 . . 7.100 4.462 4.462 4.462 . 0 0 "[ ]" 2
647 1 40 THR MG 1 59 TRP HH2 . . 6.300 4.000 4.000 4.000 . 0 0 "[ ]" 2
648 1 40 THR MG 1 74 TYR CG . . 9.500 6.139 6.139 6.139 . 0 0 "[ ]" 2
649 1 40 THR HG1 1 41 GLY H . . 6.200 2.292 2.292 2.292 . 0 0 "[ ]" 2
650 1 40 THR HG1 1 41 GLY QA . . 6.500 3.918 3.918 3.918 . 0 0 "[ ]" 2
651 1 40 THR HG1 1 56 GLY H . . 3.800 3.486 3.486 3.486 . 0 0 "[ ]" 2
652 1 40 THR HG1 1 57 ILE H . . 5.700 2.500 2.500 2.500 . 0 0 "[ ]" 2
653 1 40 THR HG1 1 59 TRP HE1 . . 6.500 5.831 5.831 5.831 . 0 0 "[ ]" 2
654 1 41 GLY H 1 42 GLN H . . 4.800 4.499 4.499 4.499 . 0 0 "[ ]" 2
655 1 41 GLY H 1 53 LYS HA . . 5.100 4.064 4.064 4.064 . 0 0 "[ ]" 2
656 1 41 GLY H 1 56 GLY H . . 5.500 5.277 5.277 5.277 . 0 0 "[ ]" 2
657 1 41 GLY H 1 59 TRP HD1 . . 6.500 6.142 6.142 6.142 . 0 0 "[ ]" 2
658 1 41 GLY H 1 59 TRP HE1 . . 4.800 4.817 4.817 4.817 0.017 1 0 "[ ]" 2
659 1 41 GLY QA 1 42 GLN H . . 3.700 2.064 2.064 2.064 . 0 0 "[ ]" 2
660 1 41 GLY QA 1 55 LYS H . . 4.600 4.623 4.623 4.623 0.023 1 0 "[ ]" 2
661 1 41 GLY QA 1 42 GLN QG . . 3.700 3.938 3.938 3.938 0.238 1 0 "[ ]" 2
662 1 41 GLY QA 1 53 LYS HA . . 2.900 2.353 2.353 2.353 . 0 0 "[ ]" 2
663 1 42 GLN H 1 42 GLN HB2 . . 4.400 3.517 3.517 3.517 . 0 0 "[ ]" 2
664 1 42 GLN H 1 42 GLN QG . . 4.000 3.748 3.748 3.748 . 0 0 "[ ]" 2
665 1 42 GLN H 1 43 ALA H . . 4.000 2.017 2.017 2.017 . 0 0 "[ ]" 2
666 1 42 GLN HA 1 43 ALA H . . 4.600 2.602 2.602 2.602 . 0 0 "[ ]" 2
667 1 42 GLN HA 1 43 ALA MB . . 7.200 4.361 4.361 4.361 . 0 0 "[ ]" 2
668 1 42 GLN HE21 1 53 LYS HA . . 6.500 6.253 6.253 6.253 . 0 0 "[ ]" 2
669 1 43 ALA H 1 43 ALA MB . . 3.300 2.207 2.207 2.207 . 0 0 "[ ]" 2
670 1 43 ALA MB 1 46 PHE H . . 5.200 3.658 3.658 3.658 . 0 0 "[ ]" 2
671 1 43 ALA MB 1 46 PHE HB2 . . 6.900 2.988 2.988 2.988 . 0 0 "[ ]" 2
672 1 43 ALA MB 1 46 PHE HD1 . . 7.500 4.743 4.743 4.743 . 0 0 "[ ]" 2
673 1 43 ALA MB 1 47 THR H . . 5.300 4.470 4.470 4.470 . 0 0 "[ ]" 2
674 1 44 PRO HB2 1 45 GLY H . . 5.500 4.115 4.115 4.115 . 0 0 "[ ]" 2
675 1 44 PRO HB3 1 45 GLY H . . 5.900 4.441 4.441 4.441 . 0 0 "[ ]" 2
676 1 45 GLY H 1 46 PHE H . . 5.500 2.880 2.880 2.880 . 0 0 "[ ]" 2
677 1 45 GLY HA2 1 46 PHE H . . 4.300 2.575 2.575 2.575 . 0 0 "[ ]" 2
678 1 45 GLY HA3 1 46 PHE H . . 5.900 3.609 3.609 3.609 . 0 0 "[ ]" 2
679 1 46 PHE H 1 46 PHE HB2 . . 3.500 3.344 3.344 3.344 . 0 0 "[ ]" 2
680 1 46 PHE H 1 46 PHE HB3 . . 3.600 2.801 2.801 2.801 . 0 0 "[ ]" 2
681 1 46 PHE H 1 47 THR HA . . 5.600 4.666 4.666 4.666 . 0 0 "[ ]" 2
682 1 46 PHE HA 1 47 THR H . . 3.700 2.479 2.479 2.479 . 0 0 "[ ]" 2
683 1 46 PHE HB2 1 47 THR H . . 5.800 3.740 3.740 3.740 . 0 0 "[ ]" 2
684 1 46 PHE HB2 1 48 TYR CG . . 8.100 7.072 7.072 7.072 . 0 0 "[ ]" 2
685 1 46 PHE HD1 1 47 THR HA . . 5.900 5.925 5.925 5.925 0.025 1 0 "[ ]" 2
686 1 46 PHE HD1 1 48 TYR HA . . 6.500 6.533 6.533 6.533 0.033 1 0 "[ ]" 2
687 1 46 PHE HD2 1 48 TYR H . . 6.400 3.058 3.058 3.058 . 0 0 "[ ]" 2
688 1 46 PHE HD2 1 48 TYR CG . . 7.400 3.800 3.800 3.800 . 0 0 "[ ]" 2
689 1 47 THR H 1 47 THR HB . . 3.800 2.768 2.768 2.768 . 0 0 "[ ]" 2
690 1 47 THR H 1 48 TYR H . . 5.300 3.476 3.476 3.476 . 0 0 "[ ]" 2
691 1 47 THR HA 1 48 TYR H . . 3.100 2.309 2.309 2.309 . 0 0 "[ ]" 2
692 1 47 THR HB 1 48 TYR H . . 5.100 4.489 4.489 4.489 . 0 0 "[ ]" 2
693 1 47 THR MG 1 48 TYR H . . 5.300 3.798 3.798 3.798 . 0 0 "[ ]" 2
694 1 48 TYR H 1 48 TYR HB2 . . 4.100 3.577 3.577 3.577 . 0 0 "[ ]" 2
695 1 48 TYR H 1 49 THR H . . 5.700 4.641 4.641 4.641 . 0 0 "[ ]" 2
696 1 48 TYR HA 1 49 THR H . . 3.600 2.459 2.459 2.459 . 0 0 "[ ]" 2
697 1 48 TYR HB2 1 49 THR H . . 4.500 2.515 2.515 2.515 . 0 0 "[ ]" 2
698 1 48 TYR HB2 1 53 LYS H . . 5.100 3.846 3.846 3.846 . 0 0 "[ ]" 2
699 1 48 TYR HB3 1 49 THR H . . 5.100 3.685 3.685 3.685 . 0 0 "[ ]" 2
700 1 48 TYR CG 1 52 ASN HB3 . . 6.400 3.803 3.803 3.803 . 0 0 "[ ]" 2
701 1 48 TYR CG 1 53 LYS HA . . 8.500 4.770 4.770 4.770 . 0 0 "[ ]" 2
702 1 49 THR H 1 50 ASP H . . 6.200 4.674 4.674 4.674 . 0 0 "[ ]" 2
703 1 49 THR H 1 52 ASN H . . 5.200 3.874 3.874 3.874 . 0 0 "[ ]" 2
704 1 49 THR H 1 52 ASN HB2 . . 4.500 4.317 4.317 4.317 . 0 0 "[ ]" 2
705 1 49 THR H 1 52 ASN HB3 . . 3.500 3.744 3.744 3.744 0.244 1 0 "[ ]" 2
706 1 49 THR HA 1 50 ASP H . . 3.500 2.326 2.326 2.326 . 0 0 "[ ]" 2
707 1 49 THR HB 1 50 ASP H . . 4.000 2.704 2.704 2.704 . 0 0 "[ ]" 2
708 1 49 THR MG 1 50 ASP H . . 6.200 3.927 3.927 3.927 . 0 0 "[ ]" 2
709 1 49 THR MG 1 52 ASN H . . 6.700 4.585 4.585 4.585 . 0 0 "[ ]" 2
710 1 49 THR MG 1 78 THR H . . 7.500 5.071 5.071 5.071 . 0 0 "[ ]" 2
711 1 49 THR MG 1 78 THR HA . . 5.300 2.933 2.933 2.933 . 0 0 "[ ]" 2
712 1 49 THR MG 1 78 THR HB . . 7.500 5.342 5.342 5.342 . 0 0 "[ ]" 2
713 1 49 THR MG 1 79 LYS H . . 5.300 2.489 2.489 2.489 . 0 0 "[ ]" 2
714 1 49 THR MG 1 79 LYS QE . . 7.700 4.318 4.318 4.318 . 0 0 "[ ]" 2
715 1 49 THR MG 1 80 MET H . . 7.500 4.816 4.816 4.816 . 0 0 "[ ]" 2
716 1 50 ASP H 1 51 ALA H . . 4.000 2.972 2.972 2.972 . 0 0 "[ ]" 2
717 1 50 ASP HA 1 51 ALA H . . 5.600 3.506 3.506 3.506 . 0 0 "[ ]" 2
718 1 50 ASP HA 1 52 ASN H . . 5.100 4.403 4.403 4.403 . 0 0 "[ ]" 2
719 1 50 ASP HA 1 53 LYS H . . 3.800 3.104 3.104 3.104 . 0 0 "[ ]" 2
720 1 50 ASP HA 1 53 LYS HA . . 4.500 4.544 4.544 4.544 0.044 1 0 "[ ]" 2
721 1 50 ASP HA 1 53 LYS QB . . 4.600 1.917 1.917 1.917 . 0 0 "[ ]" 2
722 1 50 ASP HA 1 53 LYS QG . . 6.200 3.701 3.701 3.701 . 0 0 "[ ]" 2
723 1 50 ASP HA 1 53 LYS QD . . 5.500 2.261 2.261 2.261 . 0 0 "[ ]" 2
724 1 50 ASP HA 1 53 LYS QE . . 5.700 4.391 4.391 4.391 . 0 0 "[ ]" 2
725 1 50 ASP HA 1 54 ASN H . . 4.600 3.707 3.707 3.707 . 0 0 "[ ]" 2
726 1 50 ASP HA 1 54 ASN HD21 . . 6.100 3.753 3.753 3.753 . 0 0 "[ ]" 2
727 1 50 ASP QB 1 51 ALA H . . 4.900 3.228 3.228 3.228 . 0 0 "[ ]" 2
728 1 50 ASP QB 1 51 ALA HA . . 6.200 4.174 4.174 4.174 . 0 0 "[ ]" 2
729 1 50 ASP QB 1 52 ASN H . . 7.500 5.219 5.219 5.219 . 0 0 "[ ]" 2
730 1 50 ASP QB 1 54 ASN HD21 . . 6.000 2.693 2.693 2.693 . 0 0 "[ ]" 2
731 1 50 ASP QB 1 54 ASN HD22 . . 6.300 3.064 3.064 3.064 . 0 0 "[ ]" 2
732 1 51 ALA H 1 51 ALA MB . . 3.300 2.247 2.247 2.247 . 0 0 "[ ]" 2
733 1 51 ALA H 1 52 ASN H . . 4.100 2.778 2.778 2.778 . 0 0 "[ ]" 2
734 1 51 ALA HA 1 52 ASN H . . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 2
735 1 51 ALA HA 1 54 ASN H . . 3.900 3.627 3.627 3.627 . 0 0 "[ ]" 2
736 1 51 ALA HA 1 54 ASN HB2 . . 4.900 2.949 2.949 2.949 . 0 0 "[ ]" 2
737 1 51 ALA HA 1 54 ASN HB3 . . 6.500 4.558 4.558 4.558 . 0 0 "[ ]" 2
738 1 51 ALA HA 1 54 ASN HD21 . . 6.500 3.346 3.346 3.346 . 0 0 "[ ]" 2
739 1 51 ALA HA 1 55 LYS H . . 5.700 4.906 4.906 4.906 . 0 0 "[ ]" 2
740 1 51 ALA HA 1 75 ILE MG . . 5.200 3.938 3.938 3.938 . 0 0 "[ ]" 2
741 1 51 ALA MB 1 52 ASN H . . 3.400 2.447 2.447 2.447 . 0 0 "[ ]" 2
742 1 51 ALA MB 1 52 ASN HB2 . . 5.600 4.040 4.040 4.040 . 0 0 "[ ]" 2
743 1 51 ALA MB 1 78 THR H . . 7.200 3.970 3.970 3.970 . 0 0 "[ ]" 2
744 1 51 ALA MB 1 78 THR HA . . 6.500 2.768 2.768 2.768 . 0 0 "[ ]" 2
745 1 51 ALA MB 1 78 THR HB . . 7.000 3.196 3.196 3.196 . 0 0 "[ ]" 2
746 1 52 ASN H 1 52 ASN HB2 . . 3.600 2.647 2.647 2.647 . 0 0 "[ ]" 2
747 1 52 ASN H 1 52 ASN HB3 . . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 2
748 1 52 ASN H 1 53 LYS H . . 3.700 2.567 2.567 2.567 . 0 0 "[ ]" 2
749 1 52 ASN H 1 53 LYS QB . . 7.300 4.129 4.129 4.129 . 0 0 "[ ]" 2
750 1 52 ASN H 1 53 LYS QD . . 7.500 5.825 5.825 5.825 . 0 0 "[ ]" 2
751 1 52 ASN H 1 54 ASN HB2 . . 5.900 5.210 5.210 5.210 . 0 0 "[ ]" 2
752 1 52 ASN H 1 75 ILE MG . . 6.600 3.519 3.519 3.519 . 0 0 "[ ]" 2
753 1 52 ASN HB2 1 53 LYS H . . 4.300 3.922 3.922 3.922 . 0 0 "[ ]" 2
754 1 52 ASN HB3 1 53 LYS H . . 4.300 2.665 2.665 2.665 . 0 0 "[ ]" 2
755 1 53 LYS H 1 53 LYS QD . . 5.100 4.050 4.050 4.050 . 0 0 "[ ]" 2
756 1 53 LYS H 1 54 ASN H . . 3.800 2.941 2.941 2.941 . 0 0 "[ ]" 2
757 1 53 LYS H 1 55 LYS H . . 5.700 4.148 4.148 4.148 . 0 0 "[ ]" 2
758 1 53 LYS HA 1 53 LYS QD . . 5.100 3.986 3.986 3.986 . 0 0 "[ ]" 2
759 1 53 LYS HA 1 53 LYS QE . . 6.300 4.923 4.923 4.923 . 0 0 "[ ]" 2
760 1 53 LYS QB 1 54 ASN H . . 5.500 2.307 2.307 2.307 . 0 0 "[ ]" 2
761 1 54 ASN H 1 54 ASN HB2 . . 3.700 2.262 2.262 2.262 . 0 0 "[ ]" 2
762 1 54 ASN H 1 54 ASN HB3 . . 4.000 3.539 3.539 3.539 . 0 0 "[ ]" 2
763 1 54 ASN H 1 55 LYS H . . 3.700 2.719 2.719 2.719 . 0 0 "[ ]" 2
764 1 54 ASN H 1 55 LYS HB2 . . 4.500 4.803 4.803 4.803 0.303 1 0 "[ ]" 2
765 1 54 ASN HB2 1 55 LYS H . . 3.900 3.146 3.146 3.146 . 0 0 "[ ]" 2
766 1 54 ASN HB2 1 55 LYS HA . . 6.500 4.841 4.841 4.841 . 0 0 "[ ]" 2
767 1 54 ASN HB3 1 55 LYS H . . 3.900 3.608 3.608 3.608 . 0 0 "[ ]" 2
768 1 55 LYS H 1 55 LYS HB2 . . 3.500 2.381 2.381 2.381 . 0 0 "[ ]" 2
769 1 55 LYS H 1 55 LYS QE . . 7.400 4.287 4.287 4.287 . 0 0 "[ ]" 2
770 1 55 LYS H 1 56 GLY H . . 4.600 4.548 4.548 4.548 . 0 0 "[ ]" 2
771 1 55 LYS H 1 56 GLY HA2 . . 5.900 5.381 5.381 5.381 . 0 0 "[ ]" 2
772 1 55 LYS H 1 57 ILE QG . . 6.500 6.288 6.288 6.288 . 0 0 "[ ]" 2
773 1 55 LYS HA 1 56 GLY H . . 5.900 2.199 2.199 2.199 . 0 0 "[ ]" 2
774 1 55 LYS HA 1 57 ILE H . . 4.700 4.711 4.711 4.711 0.011 1 0 "[ ]" 2
775 1 55 LYS HA 1 57 ILE MG . . 7.400 4.422 4.422 4.422 . 0 0 "[ ]" 2
776 1 55 LYS HB2 1 56 GLY H . . 4.500 4.404 4.404 4.404 . 0 0 "[ ]" 2
777 1 55 LYS HB2 1 57 ILE MD . . 7.500 6.017 6.017 6.017 . 0 0 "[ ]" 2
778 1 55 LYS QG 1 74 TYR CZ . . 8.300 4.039 4.039 4.039 . 0 0 "[ ]" 2
779 1 55 LYS QE 1 74 TYR CG . . 9.500 5.802 5.802 5.802 . 0 0 "[ ]" 2
780 1 56 GLY H 1 57 ILE H . . 4.200 2.902 2.902 2.902 . 0 0 "[ ]" 2
781 1 56 GLY H 1 57 ILE MD . . 7.500 4.755 4.755 4.755 . 0 0 "[ ]" 2
782 1 56 GLY HA2 1 57 ILE H . . 6.200 2.555 2.555 2.555 . 0 0 "[ ]" 2
783 1 56 GLY HA2 1 57 ILE QG . . 4.400 4.457 4.457 4.457 0.057 1 0 "[ ]" 2
784 1 57 ILE H 1 57 ILE HB . . 4.300 3.877 3.877 3.877 . 0 0 "[ ]" 2
785 1 57 ILE H 1 57 ILE MG . . 4.200 3.209 3.209 3.209 . 0 0 "[ ]" 2
786 1 57 ILE H 1 57 ILE QG . . 4.000 2.353 2.353 2.353 . 0 0 "[ ]" 2
787 1 57 ILE H 1 57 ILE MD . . 5.700 4.021 4.021 4.021 . 0 0 "[ ]" 2
788 1 57 ILE H 1 58 THR H . . 6.500 4.362 4.362 4.362 . 0 0 "[ ]" 2
789 1 57 ILE HA 1 58 THR H . . 3.700 2.644 2.644 2.644 . 0 0 "[ ]" 2
790 1 57 ILE HB 1 58 THR H . . 3.300 2.121 2.121 2.121 . 0 0 "[ ]" 2
791 1 57 ILE HB 1 74 TYR CZ . . 7.300 6.616 6.616 6.616 . 0 0 "[ ]" 2
792 1 57 ILE MG 1 58 THR H . . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 2
793 1 57 ILE MG 1 74 TYR CZ . . 8.000 5.261 5.261 5.261 . 0 0 "[ ]" 2
794 1 57 ILE QG 1 58 THR H . . 5.700 3.438 3.438 3.438 . 0 0 "[ ]" 2
795 1 57 ILE QG 1 74 TYR CZ . . 6.000 4.452 4.452 4.452 . 0 0 "[ ]" 2
796 1 57 ILE MD 1 58 THR H . . 5.700 3.285 3.285 3.285 . 0 0 "[ ]" 2
797 1 57 ILE MD 1 58 THR HA . . 7.400 4.845 4.845 4.845 . 0 0 "[ ]" 2
798 1 57 ILE MD 1 58 THR MG . . 8.100 3.463 3.463 3.463 . 0 0 "[ ]" 2
799 1 57 ILE MD 1 59 TRP H . . 7.500 5.091 5.091 5.091 . 0 0 "[ ]" 2
800 1 57 ILE MD 1 59 TRP HB2 . . 7.500 6.257 6.257 6.257 . 0 0 "[ ]" 2
801 1 57 ILE MD 1 63 THR HA . . 7.500 4.744 4.744 4.744 . 0 0 "[ ]" 2
802 1 57 ILE MD 1 63 THR HB . . 5.500 4.038 4.038 4.038 . 0 0 "[ ]" 2
803 1 57 ILE MD 1 63 THR MG . . 5.500 2.056 2.056 2.056 . 0 0 "[ ]" 2
804 1 57 ILE MD 1 74 TYR CG . . 9.300 5.396 5.396 5.396 . 0 0 "[ ]" 2
805 1 57 ILE MD 1 74 TYR CZ . . 6.800 3.219 3.219 3.219 . 0 0 "[ ]" 2
806 1 58 THR H 1 58 THR HB . . 3.400 2.742 2.742 2.742 . 0 0 "[ ]" 2
807 1 58 THR H 1 63 THR MG . . 6.400 5.356 5.356 5.356 . 0 0 "[ ]" 2
808 1 58 THR HA 1 59 TRP H . . 3.600 2.237 2.237 2.237 . 0 0 "[ ]" 2
809 1 58 THR MG 1 59 TRP H . . 5.000 4.042 4.042 4.042 . 0 0 "[ ]" 2
810 1 58 THR MG 1 60 LYS HA . . 7.500 4.704 4.704 4.704 . 0 0 "[ ]" 2
811 1 58 THR MG 1 60 LYS QB . . 8.500 2.453 2.453 2.453 . 0 0 "[ ]" 2
812 1 58 THR HG1 1 60 LYS QB . . 7.300 3.291 3.291 3.291 . 0 0 "[ ]" 2
813 1 58 THR HG1 1 60 LYS QG . . 6.000 2.682 2.682 2.682 . 0 0 "[ ]" 2
814 1 58 THR HG1 1 60 LYS QE . . 7.500 4.451 4.451 4.451 . 0 0 "[ ]" 2
815 1 59 TRP H 1 59 TRP HB2 . . 4.100 2.341 2.341 2.341 . 0 0 "[ ]" 2
816 1 59 TRP H 1 59 TRP HB3 . . 4.300 3.581 3.581 3.581 . 0 0 "[ ]" 2
817 1 59 TRP H 1 59 TRP HD1 . . 4.900 3.900 3.900 3.900 . 0 0 "[ ]" 2
818 1 59 TRP H 1 64 LEU MD2 . . 7.500 7.089 7.089 7.089 . 0 0 "[ ]" 2
819 1 59 TRP HB2 1 59 TRP HZ3 . . 6.500 6.554 6.554 6.554 0.054 1 0 "[ ]" 2
820 1 59 TRP HB2 1 64 LEU MD2 . . 6.600 5.486 5.486 5.486 . 0 0 "[ ]" 2
821 1 59 TRP HB2 1 64 LEU MD1 . . 7.400 4.193 4.193 4.193 . 0 0 "[ ]" 2
822 1 59 TRP HE3 1 60 LYS H . . 5.400 2.548 2.548 2.548 . 0 0 "[ ]" 2
823 1 59 TRP HE3 1 63 THR HB . . 6.500 2.344 2.344 2.344 . 0 0 "[ ]" 2
824 1 59 TRP HE3 1 63 THR MG . . 7.500 3.071 3.071 3.071 . 0 0 "[ ]" 2
825 1 59 TRP HE3 1 64 LEU H . . 4.000 3.695 3.695 3.695 . 0 0 "[ ]" 2
826 1 59 TRP HE3 1 64 LEU HA . . 4.700 3.824 3.824 3.824 . 0 0 "[ ]" 2
827 1 59 TRP HE3 1 64 LEU QB . . 5.600 4.386 4.386 4.386 . 0 0 "[ ]" 2
828 1 59 TRP HE3 1 64 LEU HG . . 3.300 2.407 2.407 2.407 . 0 0 "[ ]" 2
829 1 59 TRP HE3 1 64 LEU MD2 . . 4.500 3.735 3.735 3.735 . 0 0 "[ ]" 2
830 1 59 TRP HE3 1 64 LEU MD1 . . 5.000 3.318 3.318 3.318 . 0 0 "[ ]" 2
831 1 59 TRP HE3 1 67 TYR HB2 . . 5.800 4.929 4.929 4.929 . 0 0 "[ ]" 2
832 1 59 TRP HE3 1 74 TYR CG . . 8.500 7.699 7.699 7.699 . 0 0 "[ ]" 2
833 1 59 TRP HE1 1 64 LEU MD2 . . 7.500 5.671 5.671 5.671 . 0 0 "[ ]" 2
834 1 59 TRP HE1 1 64 LEU MD1 . . 7.500 6.171 6.171 6.171 . 0 0 "[ ]" 2
835 1 59 TRP HZ3 1 63 THR HB . . 5.400 3.107 3.107 3.107 . 0 0 "[ ]" 2
836 1 59 TRP HZ3 1 63 THR MG . . 7.500 2.409 2.409 2.409 . 0 0 "[ ]" 2
837 1 59 TRP HZ3 1 64 LEU H . . 5.900 4.183 4.183 4.183 . 0 0 "[ ]" 2
838 1 59 TRP HZ3 1 64 LEU HA . . 3.800 3.016 3.016 3.016 . 0 0 "[ ]" 2
839 1 59 TRP HZ3 1 64 LEU QB . . 6.400 4.782 4.782 4.782 . 0 0 "[ ]" 2
840 1 59 TRP HZ3 1 64 LEU HG . . 4.600 3.269 3.269 3.269 . 0 0 "[ ]" 2
841 1 59 TRP HZ3 1 64 LEU MD2 . . 4.700 3.863 3.863 3.863 . 0 0 "[ ]" 2
842 1 59 TRP HZ3 1 64 LEU MD1 . . 6.400 4.713 4.713 4.713 . 0 0 "[ ]" 2
843 1 59 TRP HZ3 1 67 TYR H . . 4.400 4.172 4.172 4.172 . 0 0 "[ ]" 2
844 1 59 TRP HZ3 1 67 TYR HA . . 5.200 5.045 5.045 5.045 . 0 0 "[ ]" 2
845 1 59 TRP HZ3 1 67 TYR HB2 . . 3.700 2.567 2.567 2.567 . 0 0 "[ ]" 2
846 1 59 TRP HZ3 1 67 TYR HB3 . . 3.900 3.217 3.217 3.217 . 0 0 "[ ]" 2
847 1 59 TRP HZ3 1 68 LEU H . . 6.000 5.963 5.963 5.963 . 0 0 "[ ]" 2
848 1 59 TRP HZ3 1 68 LEU HG . . 6.500 5.970 5.970 5.970 . 0 0 "[ ]" 2
849 1 59 TRP HZ3 1 68 LEU MD2 . . 7.500 6.015 6.015 6.015 . 0 0 "[ ]" 2
850 1 59 TRP HZ3 1 74 TYR CG . . 7.600 5.553 5.553 5.553 . 0 0 "[ ]" 2
851 1 59 TRP HZ3 1 74 TYR CZ . . 6.800 5.588 5.588 5.588 . 0 0 "[ ]" 2
852 1 59 TRP HZ2 1 64 LEU MD2 . . 7.500 5.238 5.238 5.238 . 0 0 "[ ]" 2
853 1 59 TRP HZ2 1 75 ILE MD . . 6.400 2.888 2.888 2.888 . 0 0 "[ ]" 2
854 1 59 TRP HH2 1 64 LEU HA . . 5.300 4.877 4.877 4.877 . 0 0 "[ ]" 2
855 1 59 TRP HH2 1 64 LEU MD2 . . 6.400 4.708 4.708 4.708 . 0 0 "[ ]" 2
856 1 59 TRP HH2 1 67 TYR H . . 5.900 5.419 5.419 5.419 . 0 0 "[ ]" 2
857 1 59 TRP HH2 1 67 TYR HA . . 6.200 4.904 4.904 4.904 . 0 0 "[ ]" 2
858 1 59 TRP HH2 1 67 TYR HB2 . . 4.200 3.115 3.115 3.115 . 0 0 "[ ]" 2
859 1 59 TRP HH2 1 67 TYR HB3 . . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 2
860 1 59 TRP HH2 1 68 LEU MD2 . . 7.500 6.254 6.254 6.254 . 0 0 "[ ]" 2
861 1 59 TRP HH2 1 74 TYR CG . . 6.500 5.113 5.113 5.113 . 0 0 "[ ]" 2
862 1 59 TRP HH2 1 74 TYR CZ . . 6.800 5.704 5.704 5.704 . 0 0 "[ ]" 2
863 1 59 TRP HH2 1 75 ILE MG . . 7.500 5.539 5.539 5.539 . 0 0 "[ ]" 2
864 1 59 TRP HH2 1 75 ILE MD . . 5.100 2.887 2.887 2.887 . 0 0 "[ ]" 2
865 1 60 LYS H 1 61 GLU H . . 6.500 4.245 4.245 4.245 . 0 0 "[ ]" 2
866 1 60 LYS H 1 61 GLU HA . . 6.500 4.644 4.644 4.644 . 0 0 "[ ]" 2
867 1 60 LYS H 1 62 GLU HG2 . . 6.100 5.451 5.451 5.451 . 0 0 "[ ]" 2
868 1 60 LYS H 1 63 THR H . . 4.900 3.594 3.594 3.594 . 0 0 "[ ]" 2
869 1 60 LYS H 1 64 LEU H . . 4.100 3.396 3.396 3.396 . 0 0 "[ ]" 2
870 1 60 LYS HA 1 60 LYS QE . . 5.400 4.630 4.630 4.630 . 0 0 "[ ]" 2
871 1 60 LYS HA 1 61 GLU H . . 3.600 2.400 2.400 2.400 . 0 0 "[ ]" 2
872 1 60 LYS HA 1 61 GLU HA . . 4.500 4.272 4.272 4.272 . 0 0 "[ ]" 2
873 1 60 LYS HA 1 61 GLU QB . . 5.900 4.439 4.439 4.439 . 0 0 "[ ]" 2
874 1 60 LYS HA 1 61 GLU QG . . 6.700 4.158 4.158 4.158 . 0 0 "[ ]" 2
875 1 60 LYS HA 1 62 GLU H . . 5.300 4.531 4.531 4.531 . 0 0 "[ ]" 2
876 1 60 LYS HA 1 63 THR H . . 5.500 4.829 4.829 4.829 . 0 0 "[ ]" 2
877 1 60 LYS HA 1 64 LEU MD2 . . 7.500 5.978 5.978 5.978 . 0 0 "[ ]" 2
878 1 60 LYS HA 1 64 LEU MD1 . . 6.200 3.329 3.329 3.329 . 0 0 "[ ]" 2
879 1 60 LYS QB 1 61 GLU H . . 4.500 2.833 2.833 2.833 . 0 0 "[ ]" 2
880 1 60 LYS QB 1 62 GLU H . . 4.400 2.815 2.815 2.815 . 0 0 "[ ]" 2
881 1 60 LYS QB 1 63 THR H . . 4.900 2.885 2.885 2.885 . 0 0 "[ ]" 2
882 1 60 LYS QG 1 61 GLU H . . 6.300 2.857 2.857 2.857 . 0 0 "[ ]" 2
883 1 60 LYS QG 1 62 GLU H . . 5.300 4.296 4.296 4.296 . 0 0 "[ ]" 2
884 1 60 LYS QG 1 62 GLU HG3 . . 5.600 4.275 4.275 4.275 . 0 0 "[ ]" 2
885 1 60 LYS QG 1 63 THR H . . 6.300 5.033 5.033 5.033 . 0 0 "[ ]" 2
886 1 60 LYS QG 1 64 LEU H . . 6.700 6.026 6.026 6.026 . 0 0 "[ ]" 2
887 1 60 LYS QD 1 61 GLU H . . 6.700 3.718 3.718 3.718 . 0 0 "[ ]" 2
888 1 60 LYS QD 1 62 GLU H . . 6.300 3.592 3.592 3.592 . 0 0 "[ ]" 2
889 1 60 LYS QD 1 62 GLU HG3 . . 6.000 2.871 2.871 2.871 . 0 0 "[ ]" 2
890 1 60 LYS QD 1 63 THR H . . 6.000 4.394 4.394 4.394 . 0 0 "[ ]" 2
891 1 61 GLU H 1 62 GLU H . . 4.100 2.796 2.796 2.796 . 0 0 "[ ]" 2
892 1 61 GLU H 1 62 GLU HA . . 6.500 5.413 5.413 5.413 . 0 0 "[ ]" 2
893 1 61 GLU H 1 62 GLU HG2 . . 3.700 3.715 3.715 3.715 0.015 1 0 "[ ]" 2
894 1 61 GLU H 1 63 THR H . . 5.800 4.511 4.511 4.511 . 0 0 "[ ]" 2
895 1 61 GLU H 1 64 LEU H . . 6.400 4.669 4.669 4.669 . 0 0 "[ ]" 2
896 1 61 GLU H 1 64 LEU QB . . 5.400 4.452 4.452 4.452 . 0 0 "[ ]" 2
897 1 61 GLU H 1 64 LEU MD2 . . 7.500 6.254 6.254 6.254 . 0 0 "[ ]" 2
898 1 61 GLU H 1 64 LEU MD1 . . 7.200 3.620 3.620 3.620 . 0 0 "[ ]" 2
899 1 61 GLU H 1 65 MET H . . 6.500 6.105 6.105 6.105 . 0 0 "[ ]" 2
900 1 61 GLU H 1 95 ILE QG . . 5.100 4.687 4.687 4.687 . 0 0 "[ ]" 2
901 1 61 GLU H 1 99 LYS QD . . 7.500 4.342 4.342 4.342 . 0 0 "[ ]" 2
902 1 61 GLU HA 1 62 GLU H . . 4.100 3.520 3.520 3.520 . 0 0 "[ ]" 2
903 1 61 GLU HA 1 63 THR H . . 4.600 4.546 4.546 4.546 . 0 0 "[ ]" 2
904 1 61 GLU HA 1 64 LEU H . . 4.500 3.267 3.267 3.267 . 0 0 "[ ]" 2
905 1 61 GLU HA 1 64 LEU QB . . 2.900 2.171 2.171 2.171 . 0 0 "[ ]" 2
906 1 61 GLU HA 1 64 LEU HG . . 6.500 4.446 4.446 4.446 . 0 0 "[ ]" 2
907 1 61 GLU HA 1 64 LEU MD2 . . 6.000 4.621 4.621 4.621 . 0 0 "[ ]" 2
908 1 61 GLU HA 1 95 ILE QG . . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 2
909 1 61 GLU HA 1 95 ILE MD . . 6.300 2.275 2.275 2.275 . 0 0 "[ ]" 2
910 1 61 GLU QB 1 62 GLU H . . 5.000 3.363 3.363 3.363 . 0 0 "[ ]" 2
911 1 61 GLU QB 1 99 LYS QG . . 8.100 3.524 3.524 3.524 . 0 0 "[ ]" 2
912 1 61 GLU QG 1 62 GLU H . . 6.400 2.197 2.197 2.197 . 0 0 "[ ]" 2
913 1 61 GLU QG 1 95 ILE QG . . 5.100 4.769 4.769 4.769 . 0 0 "[ ]" 2
914 1 61 GLU QG 1 95 ILE MD . . 8.500 3.987 3.987 3.987 . 0 0 "[ ]" 2
915 1 62 GLU H 1 62 GLU HB3 . . 3.000 2.840 2.840 2.840 . 0 0 "[ ]" 2
916 1 62 GLU H 1 62 GLU HG2 . . 4.700 1.935 1.935 1.935 . 0 0 "[ ]" 2
917 1 62 GLU H 1 62 GLU HG3 . . 4.500 2.937 2.937 2.937 . 0 0 "[ ]" 2
918 1 62 GLU H 1 63 THR H . . 3.800 3.123 3.123 3.123 . 0 0 "[ ]" 2
919 1 62 GLU H 1 64 LEU H . . 4.900 4.227 4.227 4.227 . 0 0 "[ ]" 2
920 1 62 GLU H 1 65 MET H . . 5.100 4.870 4.870 4.870 . 0 0 "[ ]" 2
921 1 62 GLU HA 1 62 GLU HB2 . . 3.100 2.613 2.613 2.613 . 0 0 "[ ]" 2
922 1 62 GLU HA 1 63 THR H . . 4.600 3.616 3.616 3.616 . 0 0 "[ ]" 2
923 1 62 GLU HA 1 64 LEU H . . 4.600 4.619 4.619 4.619 0.019 1 0 "[ ]" 2
924 1 62 GLU HA 1 65 MET H . . 4.500 3.855 3.855 3.855 . 0 0 "[ ]" 2
925 1 62 GLU HA 1 66 GLU H . . 5.900 5.065 5.065 5.065 . 0 0 "[ ]" 2
926 1 62 GLU HB2 1 63 THR H . . 3.800 3.323 3.323 3.323 . 0 0 "[ ]" 2
927 1 62 GLU HB3 1 63 THR H . . 4.500 4.122 4.122 4.122 . 0 0 "[ ]" 2
928 1 62 GLU HG2 1 63 THR H . . 4.800 3.385 3.385 3.385 . 0 0 "[ ]" 2
929 1 62 GLU HG2 1 64 LEU H . . 6.500 5.388 5.388 5.388 . 0 0 "[ ]" 2
930 1 62 GLU HG3 1 63 THR H . . 5.000 2.300 2.300 2.300 . 0 0 "[ ]" 2
931 1 62 GLU HG3 1 63 THR MG . . 6.100 4.753 4.753 4.753 . 0 0 "[ ]" 2
932 1 63 THR H 1 63 THR MG . . 4.800 3.625 3.625 3.625 . 0 0 "[ ]" 2
933 1 63 THR H 1 64 LEU H . . 3.600 2.637 2.637 2.637 . 0 0 "[ ]" 2
934 1 63 THR H 1 64 LEU QB . . 6.100 4.408 4.408 4.408 . 0 0 "[ ]" 2
935 1 63 THR H 1 64 LEU MD2 . . 7.500 6.173 6.173 6.173 . 0 0 "[ ]" 2
936 1 63 THR H 1 64 LEU MD1 . . 7.500 4.663 4.663 4.663 . 0 0 "[ ]" 2
937 1 63 THR H 1 65 MET H . . 4.400 4.368 4.368 4.368 . 0 0 "[ ]" 2
938 1 63 THR HA 1 64 LEU H . . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 2
939 1 63 THR HA 1 64 LEU MD2 . . 7.500 6.402 6.402 6.402 . 0 0 "[ ]" 2
940 1 63 THR HA 1 65 MET H . . 5.800 4.487 4.487 4.487 . 0 0 "[ ]" 2
941 1 63 THR HA 1 66 GLU H . . 4.200 3.834 3.834 3.834 . 0 0 "[ ]" 2
942 1 63 THR HA 1 66 GLU HB2 . . 3.900 3.043 3.043 3.043 . 0 0 "[ ]" 2
943 1 63 THR HA 1 66 GLU HB3 . . 4.400 4.503 4.503 4.503 0.103 1 0 "[ ]" 2
944 1 63 THR HA 1 74 TYR CZ . . 8.500 5.470 5.470 5.470 . 0 0 "[ ]" 2
945 1 63 THR HB 1 64 LEU H . . 6.500 2.657 2.657 2.657 . 0 0 "[ ]" 2
946 1 63 THR HB 1 64 LEU MD2 . . 7.500 4.970 4.970 4.970 . 0 0 "[ ]" 2
947 1 63 THR HB 1 74 TYR CZ . . 8.500 6.160 6.160 6.160 . 0 0 "[ ]" 2
948 1 63 THR MG 1 64 LEU H . . 6.400 3.967 3.967 3.967 . 0 0 "[ ]" 2
949 1 63 THR MG 1 74 TYR CZ . . 9.500 3.164 3.164 3.164 . 0 0 "[ ]" 2
950 1 64 LEU H 1 64 LEU QB . . 3.500 2.132 2.132 2.132 . 0 0 "[ ]" 2
951 1 64 LEU H 1 64 LEU HG . . 4.200 2.843 2.843 2.843 . 0 0 "[ ]" 2
952 1 64 LEU H 1 64 LEU MD2 . . 5.300 4.105 4.105 4.105 . 0 0 "[ ]" 2
953 1 64 LEU H 1 64 LEU MD1 . . 5.300 3.098 3.098 3.098 . 0 0 "[ ]" 2
954 1 64 LEU H 1 65 MET H . . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 2
955 1 64 LEU H 1 65 MET QB . . 4.800 4.944 4.944 4.944 0.144 1 0 "[ ]" 2
956 1 64 LEU H 1 66 GLU H . . 5.600 4.627 4.627 4.627 . 0 0 "[ ]" 2
957 1 64 LEU H 1 68 LEU MD2 . . 7.500 6.361 6.361 6.361 . 0 0 "[ ]" 2
958 1 64 LEU HA 1 64 LEU HG . . 3.900 2.320 2.320 2.320 . 0 0 "[ ]" 2
959 1 64 LEU HA 1 64 LEU MD2 . . 4.100 2.426 2.426 2.426 . 0 0 "[ ]" 2
960 1 64 LEU HA 1 65 MET H . . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 2
961 1 64 LEU HA 1 66 GLU H . . 6.100 4.549 4.549 4.549 . 0 0 "[ ]" 2
962 1 64 LEU HA 1 67 TYR HB2 . . 4.600 3.150 3.150 3.150 . 0 0 "[ ]" 2
963 1 64 LEU HA 1 67 TYR HB3 . . 4.500 2.177 2.177 2.177 . 0 0 "[ ]" 2
964 1 64 LEU HA 1 68 LEU H . . 4.000 3.863 3.863 3.863 . 0 0 "[ ]" 2
965 1 64 LEU HA 1 68 LEU HG . . 6.100 3.384 3.384 3.384 . 0 0 "[ ]" 2
966 1 64 LEU HA 1 68 LEU MD1 . . 6.900 4.231 4.231 4.231 . 0 0 "[ ]" 2
967 1 64 LEU HA 1 68 LEU MD2 . . 6.900 4.327 4.327 4.327 . 0 0 "[ ]" 2
968 1 64 LEU QB 1 65 MET H . . 3.100 2.912 2.912 2.912 . 0 0 "[ ]" 2
969 1 64 LEU QB 1 68 LEU MD1 . . 4.100 2.606 2.606 2.606 . 0 0 "[ ]" 2
970 1 64 LEU QB 1 95 ILE MD . . 7.200 1.956 1.956 1.956 . 0 0 "[ ]" 2
971 1 64 LEU QB 1 66 GLU H . . 4.800 5.022 5.022 5.022 0.222 1 0 "[ ]" 2
972 1 64 LEU QB 1 68 LEU H . . 5.100 4.452 4.452 4.452 . 0 0 "[ ]" 2
973 1 64 LEU QB 1 68 LEU MD2 . . 5.100 3.716 3.716 3.716 . 0 0 "[ ]" 2
974 1 64 LEU MD2 1 65 MET H . . 6.800 4.987 4.987 4.987 . 0 0 "[ ]" 2
975 1 64 LEU MD2 1 66 GLU H . . 7.500 6.214 6.214 6.214 . 0 0 "[ ]" 2
976 1 64 LEU MD2 1 67 TYR HA . . 7.500 5.675 5.675 5.675 . 0 0 "[ ]" 2
977 1 64 LEU MD2 1 67 TYR HB2 . . 6.700 4.310 4.310 4.310 . 0 0 "[ ]" 2
978 1 64 LEU MD2 1 67 TYR HB3 . . 5.600 3.045 3.045 3.045 . 0 0 "[ ]" 2
979 1 64 LEU MD2 1 94 LEU HG . . 6.700 6.171 6.171 6.171 . 0 0 "[ ]" 2
980 1 64 LEU MD2 1 94 LEU MD1 . . 8.100 5.345 5.345 5.345 . 0 0 "[ ]" 2
981 1 64 LEU MD2 1 95 ILE MD . . 7.600 3.637 3.637 3.637 . 0 0 "[ ]" 2
982 1 64 LEU MD1 1 65 MET H . . 6.200 4.784 4.784 4.784 . 0 0 "[ ]" 2
983 1 64 LEU MD1 1 68 LEU H . . 7.200 6.425 6.425 6.425 . 0 0 "[ ]" 2
984 1 64 LEU MD1 1 95 ILE H . . 7.500 6.096 6.096 6.096 . 0 0 "[ ]" 2
985 1 64 LEU MD1 1 95 ILE HA . . 7.200 4.449 4.449 4.449 . 0 0 "[ ]" 2
986 1 64 LEU MD1 1 95 ILE MD . . 7.000 3.111 3.111 3.111 . 0 0 "[ ]" 2
987 1 64 LEU MD1 1 98 LEU H . . 7.100 6.548 6.548 6.548 . 0 0 "[ ]" 2
988 1 64 LEU MD1 1 99 LYS H . . 7.500 6.033 6.033 6.033 . 0 0 "[ ]" 2
989 1 65 MET H 1 65 MET QB . . 3.000 2.337 2.337 2.337 . 0 0 "[ ]" 2
990 1 65 MET H 1 66 GLU H . . 3.900 2.925 2.925 2.925 . 0 0 "[ ]" 2
991 1 65 MET H 1 68 LEU MD1 . . 7.000 4.409 4.409 4.409 . 0 0 "[ ]" 2
992 1 65 MET H 1 68 LEU MD2 . . 7.500 6.095 6.095 6.095 . 0 0 "[ ]" 2
993 1 65 MET H 1 95 ILE QG . . 5.800 5.158 5.158 5.158 . 0 0 "[ ]" 2
994 1 65 MET HA 1 66 GLU H . . 4.500 3.522 3.522 3.522 . 0 0 "[ ]" 2
995 1 65 MET HA 1 66 GLU QG . . 4.900 5.219 5.219 5.219 0.319 1 0 "[ ]" 2
996 1 65 MET HA 1 68 LEU H . . 6.100 3.450 3.450 3.450 . 0 0 "[ ]" 2
997 1 65 MET HA 1 68 LEU QB . . 6.100 2.946 2.946 2.946 . 0 0 "[ ]" 2
998 1 65 MET HA 1 68 LEU MD2 . . 6.900 5.142 5.142 5.142 . 0 0 "[ ]" 2
999 1 66 GLU H 1 66 GLU HB2 . . 3.500 2.136 2.136 2.136 . 0 0 "[ ]" 2
1000 1 66 GLU H 1 66 GLU HB3 . . 3.400 3.420 3.420 3.420 0.020 1 0 "[ ]" 2
1001 1 66 GLU H 1 66 GLU QG . . 4.300 2.379 2.379 2.379 . 0 0 "[ ]" 2
1002 1 66 GLU H 1 67 TYR H . . 3.900 2.751 2.751 2.751 . 0 0 "[ ]" 2
1003 1 66 GLU H 1 67 TYR HA . . 5.400 5.335 5.335 5.335 . 0 0 "[ ]" 2
1004 1 66 GLU H 1 67 TYR HB2 . . 6.500 4.945 4.945 4.945 . 0 0 "[ ]" 2
1005 1 66 GLU H 1 67 TYR HB3 . . 6.500 4.937 4.937 4.937 . 0 0 "[ ]" 2
1006 1 66 GLU H 1 74 TYR CG . . 8.500 7.251 7.251 7.251 . 0 0 "[ ]" 2
1007 1 66 GLU HA 1 66 GLU HB3 . . 3.000 2.675 2.675 2.675 . 0 0 "[ ]" 2
1008 1 66 GLU HA 1 66 GLU QG . . 3.700 2.390 2.390 2.390 . 0 0 "[ ]" 2
1009 1 66 GLU HA 1 69 GLU H . . 4.000 3.970 3.970 3.970 . 0 0 "[ ]" 2
1010 1 66 GLU HB2 1 74 TYR CG . . 7.400 5.201 5.201 5.201 . 0 0 "[ ]" 2
1011 1 66 GLU HB2 1 74 TYR CZ . . 8.500 5.948 5.948 5.948 . 0 0 "[ ]" 2
1012 1 66 GLU HB3 1 74 TYR CG . . 7.600 4.478 4.478 4.478 . 0 0 "[ ]" 2
1013 1 66 GLU HB3 1 74 TYR CZ . . 6.500 5.829 5.829 5.829 . 0 0 "[ ]" 2
1014 1 67 TYR H 1 67 TYR HB2 . . 3.500 2.339 2.339 2.339 . 0 0 "[ ]" 2
1015 1 67 TYR H 1 67 TYR HB3 . . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 2
1016 1 67 TYR H 1 74 TYR CG . . 8.400 5.570 5.570 5.570 . 0 0 "[ ]" 2
1017 1 67 TYR HA 1 68 LEU H . . 6.200 3.588 3.588 3.588 . 0 0 "[ ]" 2
1018 1 67 TYR HA 1 69 GLU H . . 5.200 4.849 4.849 4.849 . 0 0 "[ ]" 2
1019 1 67 TYR HA 1 70 ASN H . . 6.100 3.800 3.800 3.800 . 0 0 "[ ]" 2
1020 1 67 TYR HA 1 71 PRO HA . . 5.100 2.371 2.371 2.371 . 0 0 "[ ]" 2
1021 1 67 TYR HA 1 74 TYR QB . . 6.400 3.164 3.164 3.164 . 0 0 "[ ]" 2
1022 1 67 TYR HA 1 74 TYR CG . . 7.300 4.866 4.866 4.866 . 0 0 "[ ]" 2
1023 1 67 TYR HB2 1 68 LEU H . . 4.500 4.096 4.096 4.096 . 0 0 "[ ]" 2
1024 1 67 TYR HB2 1 68 LEU MD2 . . 7.500 5.176 5.176 5.176 . 0 0 "[ ]" 2
1025 1 67 TYR HB2 1 74 TYR QB . . 7.500 3.756 3.756 3.756 . 0 0 "[ ]" 2
1026 1 67 TYR HB2 1 74 TYR CG . . 7.200 4.626 4.626 4.626 . 0 0 "[ ]" 2
1027 1 67 TYR HB2 1 74 TYR CZ . . 8.500 5.883 5.883 5.883 . 0 0 "[ ]" 2
1028 1 67 TYR HB3 1 68 LEU MD2 . . 6.300 3.765 3.765 3.765 . 0 0 "[ ]" 2
1029 1 67 TYR HB3 1 74 TYR CG . . 8.500 6.367 6.367 6.367 . 0 0 "[ ]" 2
1030 1 67 TYR HB3 1 74 TYR CZ . . 8.500 7.582 7.582 7.582 . 0 0 "[ ]" 2
1031 1 68 LEU H 1 68 LEU QB . . 3.500 2.338 2.338 2.338 . 0 0 "[ ]" 2
1032 1 68 LEU H 1 68 LEU HG . . 3.700 2.446 2.446 2.446 . 0 0 "[ ]" 2
1033 1 68 LEU H 1 68 LEU MD1 . . 4.500 3.631 3.631 3.631 . 0 0 "[ ]" 2
1034 1 68 LEU H 1 68 LEU MD2 . . 4.800 3.466 3.466 3.466 . 0 0 "[ ]" 2
1035 1 68 LEU H 1 69 GLU H . . 3.800 2.422 2.422 2.422 . 0 0 "[ ]" 2
1036 1 68 LEU HA 1 68 LEU HG . . 4.400 3.157 3.157 3.157 . 0 0 "[ ]" 2
1037 1 68 LEU HA 1 68 LEU MD2 . . 3.800 2.136 2.136 2.136 . 0 0 "[ ]" 2
1038 1 68 LEU HA 1 69 GLU H . . 5.600 3.625 3.625 3.625 . 0 0 "[ ]" 2
1039 1 68 LEU HA 1 70 ASN H . . 4.700 4.455 4.455 4.455 . 0 0 "[ ]" 2
1040 1 68 LEU HA 1 82 PHE CZ . . 8.400 5.150 5.150 5.150 . 0 0 "[ ]" 2
1041 1 68 LEU HA 1 82 PHE HZ . . 6.500 5.325 5.325 5.325 . 0 0 "[ ]" 2
1042 1 68 LEU HA 1 85 ILE MD . . 7.500 3.920 3.920 3.920 . 0 0 "[ ]" 2
1043 1 68 LEU HA 1 94 LEU MD2 . . 7.500 5.372 5.372 5.372 . 0 0 "[ ]" 2
1044 1 68 LEU QB 1 69 GLU H . . 5.100 2.510 2.510 2.510 . 0 0 "[ ]" 2
1045 1 68 LEU QB 1 85 ILE QG . . 4.000 4.583 4.583 4.583 0.583 1 1 [+] 2
1046 1 68 LEU QB 1 82 PHE HZ . . 6.500 5.058 5.058 5.058 . 0 0 "[ ]" 2
1047 1 68 LEU MD1 1 69 GLU H . . 5.500 4.440 4.440 4.440 . 0 0 "[ ]" 2
1048 1 68 LEU MD1 1 82 PHE CG . . 9.500 7.435 7.435 7.435 . 0 0 "[ ]" 2
1049 1 68 LEU MD1 1 82 PHE CZ . . 9.500 6.075 6.075 6.075 . 0 0 "[ ]" 2
1050 1 68 LEU MD1 1 82 PHE HZ . . 7.500 5.675 5.675 5.675 . 0 0 "[ ]" 2
1051 1 68 LEU MD1 1 85 ILE HB . . 6.900 4.975 4.975 4.975 . 0 0 "[ ]" 2
1052 1 68 LEU MD1 1 85 ILE MG . . 6.400 3.427 3.427 3.427 . 0 0 "[ ]" 2
1053 1 68 LEU MD1 1 85 ILE MD . . 6.000 3.138 3.138 3.138 . 0 0 "[ ]" 2
1054 1 68 LEU MD1 1 90 GLU H . . 7.500 6.251 6.251 6.251 . 0 0 "[ ]" 2
1055 1 68 LEU MD1 1 91 ARG H . . 7.500 4.357 4.357 4.357 . 0 0 "[ ]" 2
1056 1 68 LEU MD1 1 91 ARG HA . . 6.100 2.527 2.527 2.527 . 0 0 "[ ]" 2
1057 1 68 LEU MD1 1 94 LEU H . . 7.500 4.496 4.496 4.496 . 0 0 "[ ]" 2
1058 1 68 LEU MD1 1 94 LEU QB . . 5.600 2.687 2.687 2.687 . 0 0 "[ ]" 2
1059 1 68 LEU MD1 1 94 LEU MD1 . . 6.600 3.068 3.068 3.068 . 0 0 "[ ]" 2
1060 1 68 LEU MD1 1 94 LEU MD2 . . 4.800 2.024 2.024 2.024 . 0 0 "[ ]" 2
1061 1 68 LEU MD1 1 95 ILE H . . 6.300 3.966 3.966 3.966 . 0 0 "[ ]" 2
1062 1 68 LEU MD1 1 95 ILE HA . . 7.400 4.595 4.595 4.595 . 0 0 "[ ]" 2
1063 1 68 LEU MD1 1 95 ILE QG . . 5.100 3.053 3.053 3.053 . 0 0 "[ ]" 2
1064 1 68 LEU MD1 1 95 ILE MD . . 6.700 2.579 2.579 2.579 . 0 0 "[ ]" 2
1065 1 68 LEU MD1 1 98 LEU MD1 . . 6.900 4.066 4.066 4.066 . 0 0 "[ ]" 2
1066 1 68 LEU MD2 1 71 PRO HA . . 7.500 5.931 5.931 5.931 . 0 0 "[ ]" 2
1067 1 68 LEU MD2 1 71 PRO HG3 . . 5.800 4.907 4.907 4.907 . 0 0 "[ ]" 2
1068 1 68 LEU MD2 1 82 PHE CG . . 9.500 5.137 5.137 5.137 . 0 0 "[ ]" 2
1069 1 68 LEU MD2 1 82 PHE CZ . . 8.800 4.334 4.334 4.334 . 0 0 "[ ]" 2
1070 1 68 LEU MD2 1 82 PHE HZ . . 7.200 4.242 4.242 4.242 . 0 0 "[ ]" 2
1071 1 68 LEU MD2 1 85 ILE H . . 7.500 6.304 6.304 6.304 . 0 0 "[ ]" 2
1072 1 68 LEU MD2 1 85 ILE HB . . 6.400 4.474 4.474 4.474 . 0 0 "[ ]" 2
1073 1 68 LEU MD2 1 85 ILE MG . . 6.500 3.924 3.924 3.924 . 0 0 "[ ]" 2
1074 1 68 LEU MD2 1 85 ILE QG . . 6.500 4.666 4.666 4.666 . 0 0 "[ ]" 2
1075 1 68 LEU MD2 1 85 ILE MD . . 5.500 2.690 2.690 2.690 . 0 0 "[ ]" 2
1076 1 68 LEU MD2 1 91 ARG HA . . 7.500 5.205 5.205 5.205 . 0 0 "[ ]" 2
1077 1 68 LEU MD2 1 94 LEU H . . 7.500 6.368 6.368 6.368 . 0 0 "[ ]" 2
1078 1 68 LEU MD2 1 94 LEU QB . . 7.200 4.164 4.164 4.164 . 0 0 "[ ]" 2
1079 1 68 LEU MD2 1 94 LEU MD1 . . 7.300 3.192 3.192 3.192 . 0 0 "[ ]" 2
1080 1 68 LEU MD2 1 94 LEU MD2 . . 5.500 2.528 2.528 2.528 . 0 0 "[ ]" 2
1081 1 68 LEU MD2 1 95 ILE H . . 7.500 6.006 6.006 6.006 . 0 0 "[ ]" 2
1082 1 68 LEU MD2 1 98 LEU MD1 . . 7.000 4.331 4.331 4.331 . 0 0 "[ ]" 2
1083 1 69 GLU H 1 69 GLU HB2 . . 3.700 2.608 2.608 2.608 . 0 0 "[ ]" 2
1084 1 69 GLU H 1 69 GLU HB3 . . 3.300 2.535 2.535 2.535 . 0 0 "[ ]" 2
1085 1 69 GLU H 1 70 ASN H . . 4.200 2.869 2.869 2.869 . 0 0 "[ ]" 2
1086 1 69 GLU HA 1 70 ASN H . . 4.700 3.628 3.628 3.628 . 0 0 "[ ]" 2
1087 1 69 GLU HB2 1 70 ASN H . . 4.300 3.922 3.922 3.922 . 0 0 "[ ]" 2
1088 1 69 GLU HB2 1 87 LYS HA . . 4.200 4.629 4.629 4.629 0.429 1 0 "[ ]" 2
1089 1 69 GLU HB3 1 70 ASN H . . 4.200 2.554 2.554 2.554 . 0 0 "[ ]" 2
1090 1 69 GLU HB3 1 87 LYS HA . . 6.000 6.137 6.137 6.137 0.137 1 0 "[ ]" 2
1091 1 70 ASN H 1 70 ASN HB2 . . 4.300 3.344 3.344 3.344 . 0 0 "[ ]" 2
1092 1 70 ASN H 1 70 ASN HB3 . . 4.300 3.109 3.109 3.109 . 0 0 "[ ]" 2
1093 1 70 ASN H 1 71 PRO HD2 . . 6.500 4.479 4.479 4.479 . 0 0 "[ ]" 2
1094 1 70 ASN H 1 71 PRO HD3 . . 4.900 3.730 3.730 3.730 . 0 0 "[ ]" 2
1095 1 70 ASN HB2 1 73 LYS H . . 6.500 4.662 4.662 4.662 . 0 0 "[ ]" 2
1096 1 71 PRO HA 1 72 LYS H . . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 2
1097 1 71 PRO HA 1 73 LYS H . . 5.500 3.685 3.685 3.685 . 0 0 "[ ]" 2
1098 1 71 PRO HA 1 74 TYR H . . 5.000 3.460 3.460 3.460 . 0 0 "[ ]" 2
1099 1 71 PRO HA 1 74 TYR CG . . 8.500 5.389 5.389 5.389 . 0 0 "[ ]" 2
1100 1 71 PRO HA 1 75 ILE H . . 6.500 3.628 3.628 3.628 . 0 0 "[ ]" 2
1101 1 71 PRO HA 1 76 PRO HB3 . . 6.500 6.573 6.573 6.573 0.073 1 0 "[ ]" 2
1102 1 71 PRO HG2 1 72 LYS H . . 6.300 2.781 2.781 2.781 . 0 0 "[ ]" 2
1103 1 71 PRO HG2 1 76 PRO HB3 . . 6.300 6.384 6.384 6.384 0.084 1 0 "[ ]" 2
1104 1 71 PRO HG2 1 82 PHE CG . . 6.900 5.179 5.179 5.179 . 0 0 "[ ]" 2
1105 1 71 PRO HG2 1 82 PHE CZ . . 8.300 7.232 7.232 7.232 . 0 0 "[ ]" 2
1106 1 71 PRO HD2 1 72 LYS H . . 6.500 2.684 2.684 2.684 . 0 0 "[ ]" 2
1107 1 71 PRO HD3 1 82 PHE HZ . . 6.500 6.552 6.552 6.552 0.052 1 0 "[ ]" 2
1108 1 72 LYS H 1 72 LYS HB2 . . 3.600 2.546 2.546 2.546 . 0 0 "[ ]" 2
1109 1 72 LYS H 1 72 LYS HB3 . . 3.500 3.607 3.607 3.607 0.107 1 0 "[ ]" 2
1110 1 72 LYS H 1 72 LYS HG3 . . 3.900 2.229 2.229 2.229 . 0 0 "[ ]" 2
1111 1 72 LYS H 1 72 LYS HG2 . . 5.600 3.649 3.649 3.649 . 0 0 "[ ]" 2
1112 1 72 LYS H 1 73 LYS H . . 3.700 2.665 2.665 2.665 . 0 0 "[ ]" 2
1113 1 72 LYS HA 1 72 LYS HG3 . . 3.900 2.849 2.849 2.849 . 0 0 "[ ]" 2
1114 1 72 LYS HA 1 73 LYS H . . 4.900 3.527 3.527 3.527 . 0 0 "[ ]" 2
1115 1 72 LYS HA 1 73 LYS HB2 . . 6.500 5.647 5.647 5.647 . 0 0 "[ ]" 2
1116 1 72 LYS HA 1 76 PRO HB3 . . 6.500 2.061 2.061 2.061 . 0 0 "[ ]" 2
1117 1 72 LYS HA 1 76 PRO HG2 . . 6.500 4.895 4.895 4.895 . 0 0 "[ ]" 2
1118 1 72 LYS HB2 1 73 LYS H . . 5.100 2.942 2.942 2.942 . 0 0 "[ ]" 2
1119 1 72 LYS HB3 1 73 LYS H . . 4.700 3.957 3.957 3.957 . 0 0 "[ ]" 2
1120 1 72 LYS HB3 1 76 PRO HA . . 5.400 4.135 4.135 4.135 . 0 0 "[ ]" 2
1121 1 72 LYS HG3 1 73 LYS H . . 4.800 4.499 4.499 4.499 . 0 0 "[ ]" 2
1122 1 72 LYS HG3 1 76 PRO HA . . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 2
1123 1 72 LYS HG3 1 76 PRO HG3 . . 6.500 6.750 6.750 6.750 0.250 1 0 "[ ]" 2
1124 1 72 LYS HG2 1 73 LYS H . . 6.400 5.302 5.302 5.302 . 0 0 "[ ]" 2
1125 1 72 LYS HG2 1 76 PRO HA . . 6.500 3.644 3.644 3.644 . 0 0 "[ ]" 2
1126 1 73 LYS H 1 73 LYS HB2 . . 3.400 2.370 2.370 2.370 . 0 0 "[ ]" 2
1127 1 73 LYS H 1 73 LYS HB3 . . 3.400 2.498 2.498 2.498 . 0 0 "[ ]" 2
1128 1 73 LYS H 1 74 TYR H . . 3.400 2.665 2.665 2.665 . 0 0 "[ ]" 2
1129 1 73 LYS H 1 74 TYR QB . . 6.400 4.227 4.227 4.227 . 0 0 "[ ]" 2
1130 1 73 LYS HA 1 74 TYR H . . 6.500 3.443 3.443 3.443 . 0 0 "[ ]" 2
1131 1 73 LYS HA 1 76 PRO HG3 . . 6.000 5.102 5.102 5.102 . 0 0 "[ ]" 2
1132 1 73 LYS HB2 1 74 TYR H . . 4.700 4.302 4.302 4.302 . 0 0 "[ ]" 2
1133 1 73 LYS HB3 1 74 TYR H . . 4.800 3.464 3.464 3.464 . 0 0 "[ ]" 2
1134 1 74 TYR H 1 74 TYR QB . . 3.900 2.591 2.591 2.591 . 0 0 "[ ]" 2
1135 1 74 TYR H 1 75 ILE H . . 4.100 2.117 2.117 2.117 . 0 0 "[ ]" 2
1136 1 74 TYR H 1 76 PRO HB3 . . 4.500 4.529 4.529 4.529 0.029 1 0 "[ ]" 2
1137 1 74 TYR QB 1 75 ILE H . . 7.300 2.567 2.567 2.567 . 0 0 "[ ]" 2
1138 1 74 TYR QB 1 75 ILE MG . . 8.500 5.073 5.073 5.073 . 0 0 "[ ]" 2
1139 1 74 TYR CG 1 75 ILE H . . 7.900 4.234 4.234 4.234 . 0 0 "[ ]" 2
1140 1 74 TYR CG 1 75 ILE MG . . 9.500 5.738 5.738 5.738 . 0 0 "[ ]" 2
1141 1 74 TYR CG 1 76 PRO QD . . 9.500 5.795 5.795 5.795 . 0 0 "[ ]" 2
1142 1 75 ILE H 1 75 ILE HB . . 4.200 3.073 3.073 3.073 . 0 0 "[ ]" 2
1143 1 75 ILE H 1 78 THR HB . . 6.000 5.300 5.300 5.300 . 0 0 "[ ]" 2
1144 1 75 ILE HB 1 78 THR HB . . 4.300 3.248 3.248 3.248 . 0 0 "[ ]" 2
1145 1 75 ILE MG 1 77 GLY HA3 . . 6.200 4.650 4.650 4.650 . 0 0 "[ ]" 2
1146 1 75 ILE MG 1 78 THR H . . 6.300 4.107 4.107 4.107 . 0 0 "[ ]" 2
1147 1 75 ILE MG 1 78 THR HA . . 7.200 4.062 4.062 4.062 . 0 0 "[ ]" 2
1148 1 75 ILE MG 1 78 THR HB . . 4.700 2.223 2.223 2.223 . 0 0 "[ ]" 2
1149 1 75 ILE MG 1 78 THR MG . . 7.100 3.061 3.061 3.061 . 0 0 "[ ]" 2
1150 1 76 PRO HA 1 77 GLY H . . 4.400 3.598 3.598 3.598 . 0 0 "[ ]" 2
1151 1 76 PRO HB2 1 77 GLY H . . 4.700 3.497 3.497 3.497 . 0 0 "[ ]" 2
1152 1 76 PRO HB2 1 78 THR H . . 5.600 4.815 4.815 4.815 . 0 0 "[ ]" 2
1153 1 76 PRO HB3 1 77 GLY H . . 6.500 4.193 4.193 4.193 . 0 0 "[ ]" 2
1154 1 76 PRO HG2 1 77 GLY H . . 6.300 2.341 2.341 2.341 . 0 0 "[ ]" 2
1155 1 77 GLY H 1 78 THR H . . 4.000 3.413 3.413 3.413 . 0 0 "[ ]" 2
1156 1 77 GLY H 1 78 THR MG . . 6.800 5.097 5.097 5.097 . 0 0 "[ ]" 2
1157 1 77 GLY HA2 1 78 THR H . . 6.500 2.789 2.789 2.789 . 0 0 "[ ]" 2
1158 1 78 THR H 1 78 THR HB . . 3.500 2.539 2.539 2.539 . 0 0 "[ ]" 2
1159 1 78 THR H 1 78 THR MG . . 4.500 3.032 3.032 3.032 . 0 0 "[ ]" 2
1160 1 78 THR H 1 81 ILE MG . . 7.500 5.615 5.615 5.615 . 0 0 "[ ]" 2
1161 1 78 THR HA 1 79 LYS H . . 4.000 2.263 2.263 2.263 . 0 0 "[ ]" 2
1162 1 78 THR HA 1 79 LYS HG2 . . 6.400 6.524 6.524 6.524 0.124 1 0 "[ ]" 2
1163 1 78 THR HA 1 79 LYS HG3 . . 6.500 5.949 5.949 5.949 . 0 0 "[ ]" 2
1164 1 78 THR HB 1 79 LYS H . . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 2
1165 1 78 THR MG 1 80 MET H . . 4.500 1.957 1.957 1.957 . 0 0 "[ ]" 2
1166 1 78 THR MG 1 80 MET HB2 . . 5.700 2.811 2.811 2.811 . 0 0 "[ ]" 2
1167 1 78 THR HG1 1 79 LYS H . . 4.700 3.083 3.083 3.083 . 0 0 "[ ]" 2
1168 1 78 THR HG1 1 80 MET H . . 6.400 4.209 4.209 4.209 . 0 0 "[ ]" 2
1169 1 79 LYS H 1 79 LYS HG2 . . 5.700 4.504 4.504 4.504 . 0 0 "[ ]" 2
1170 1 79 LYS H 1 79 LYS HG3 . . 5.100 4.213 4.213 4.213 . 0 0 "[ ]" 2
1171 1 79 LYS H 1 80 MET H . . 4.100 2.796 2.796 2.796 . 0 0 "[ ]" 2
1172 1 80 MET HA 1 81 ILE H . . 4.000 2.454 2.454 2.454 . 0 0 "[ ]" 2
1173 1 81 ILE H 1 81 ILE HB . . 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 2
1174 1 81 ILE H 1 81 ILE HG12 . . 4.100 2.646 2.646 2.646 . 0 0 "[ ]" 2
1175 1 81 ILE H 1 81 ILE HG13 . . 4.800 3.792 3.792 3.792 . 0 0 "[ ]" 2
1176 1 81 ILE H 1 81 ILE MD . . 5.800 2.035 2.035 2.035 . 0 0 "[ ]" 2
1177 1 81 ILE HA 1 82 PHE H . . 4.000 2.599 2.599 2.599 . 0 0 "[ ]" 2
1178 1 81 ILE HB 1 82 PHE H . . 6.500 4.367 4.367 4.367 . 0 0 "[ ]" 2
1179 1 81 ILE MG 1 82 PHE H . . 5.900 4.374 4.374 4.374 . 0 0 "[ ]" 2
1180 1 81 ILE MG 1 82 PHE HA . . 7.500 5.740 5.740 5.740 . 0 0 "[ ]" 2
1181 1 81 ILE HG12 1 82 PHE H . . 6.500 4.366 4.366 4.366 . 0 0 "[ ]" 2
1182 1 81 ILE MD 1 82 PHE H . . 7.500 5.039 5.039 5.039 . 0 0 "[ ]" 2
1183 1 82 PHE H 1 83 ALA HA . . 6.500 5.190 5.190 5.190 . 0 0 "[ ]" 2
1184 1 82 PHE CG 1 85 ILE HB . . 8.500 6.022 6.022 6.022 . 0 0 "[ ]" 2
1185 1 82 PHE CG 1 85 ILE QG . . 7.200 5.377 5.377 5.377 . 0 0 "[ ]" 2
1186 1 82 PHE CZ 1 84 GLY H . . 8.500 3.978 3.978 3.978 . 0 0 "[ ]" 2
1187 1 82 PHE CZ 1 84 GLY HA2 . . 8.500 4.598 4.598 4.598 . 0 0 "[ ]" 2
1188 1 82 PHE CZ 1 84 GLY HA3 . . 8.500 5.804 5.804 5.804 . 0 0 "[ ]" 2
1189 1 82 PHE CZ 1 85 ILE H . . 7.500 5.409 5.409 5.409 . 0 0 "[ ]" 2
1190 1 82 PHE CZ 1 85 ILE HA . . 6.800 5.045 5.045 5.045 . 0 0 "[ ]" 2
1191 1 82 PHE CZ 1 85 ILE HB . . 6.000 3.934 3.934 3.934 . 0 0 "[ ]" 2
1192 1 82 PHE CZ 1 85 ILE MG . . 9.100 4.886 4.886 4.886 . 0 0 "[ ]" 2
1193 1 82 PHE CZ 1 85 ILE QG . . 5.800 2.856 2.856 2.856 . 0 0 "[ ]" 2
1194 1 82 PHE CZ 1 85 ILE MD . . 7.500 2.864 2.864 2.864 . 0 0 "[ ]" 2
1195 1 82 PHE HZ 1 84 GLY H . . 6.500 4.421 4.421 4.421 . 0 0 "[ ]" 2
1196 1 82 PHE HZ 1 84 GLY HA2 . . 5.000 4.874 4.874 4.874 . 0 0 "[ ]" 2
1197 1 82 PHE HZ 1 84 GLY HA3 . . 6.000 5.988 5.988 5.988 . 0 0 "[ ]" 2
1198 1 82 PHE HZ 1 85 ILE H . . 6.000 5.179 5.179 5.179 . 0 0 "[ ]" 2
1199 1 82 PHE HZ 1 85 ILE HA . . 4.500 4.373 4.373 4.373 . 0 0 "[ ]" 2
1200 1 82 PHE HZ 1 85 ILE HB . . 3.600 3.446 3.446 3.446 . 0 0 "[ ]" 2
1201 1 82 PHE HZ 1 85 ILE MG . . 5.200 4.253 4.253 4.253 . 0 0 "[ ]" 2
1202 1 82 PHE HZ 1 85 ILE QG . . 3.200 2.013 2.013 2.013 . 0 0 "[ ]" 2
1203 1 82 PHE HZ 1 85 ILE MD . . 4.400 2.149 2.149 2.149 . 0 0 "[ ]" 2
1204 1 83 ALA MB 1 84 GLY H . . 4.500 2.216 2.216 2.216 . 0 0 "[ ]" 2
1205 1 83 ALA MB 1 84 GLY HA2 . . 4.200 4.331 4.331 4.331 0.131 1 0 "[ ]" 2
1206 1 83 ALA MB 1 84 GLY HA3 . . 6.000 3.763 3.763 3.763 . 0 0 "[ ]" 2
1207 1 84 GLY HA2 1 85 ILE QG . . 4.200 4.409 4.409 4.409 0.209 1 0 "[ ]" 2
1208 1 84 GLY HA2 1 85 ILE MD . . 7.300 4.935 4.935 4.935 . 0 0 "[ ]" 2
1209 1 84 GLY HA3 1 85 ILE QG . . 6.500 5.061 5.061 5.061 . 0 0 "[ ]" 2
1210 1 85 ILE H 1 85 ILE HB . . 4.000 2.435 2.435 2.435 . 0 0 "[ ]" 2
1211 1 85 ILE H 1 85 ILE QG . . 4.800 3.738 3.738 3.738 . 0 0 "[ ]" 2
1212 1 85 ILE H 1 85 ILE MD . . 5.600 4.461 4.461 4.461 . 0 0 "[ ]" 2
1213 1 85 ILE H 1 86 LYS H . . 5.100 4.389 4.389 4.389 . 0 0 "[ ]" 2
1214 1 85 ILE HA 1 85 ILE QG . . 3.800 2.173 2.173 2.173 . 0 0 "[ ]" 2
1215 1 85 ILE HA 1 86 LYS H . . 3.200 2.710 2.710 2.710 . 0 0 "[ ]" 2
1216 1 85 ILE MG 1 86 LYS H . . 5.300 1.950 1.950 1.950 . 0 0 "[ ]" 2
1217 1 85 ILE MG 1 86 LYS HA . . 6.500 4.058 4.058 4.058 . 0 0 "[ ]" 2
1218 1 85 ILE MG 1 86 LYS HB2 . . 4.400 3.379 3.379 3.379 . 0 0 "[ ]" 2
1219 1 85 ILE MG 1 86 LYS QG . . 8.300 3.207 3.207 3.207 . 0 0 "[ ]" 2
1220 1 85 ILE MG 1 87 LYS H . . 4.900 3.063 3.063 3.063 . 0 0 "[ ]" 2
1221 1 85 ILE MG 1 90 GLU H . . 6.200 4.032 4.032 4.032 . 0 0 "[ ]" 2
1222 1 85 ILE MG 1 90 GLU HA . . 6.600 3.639 3.639 3.639 . 0 0 "[ ]" 2
1223 1 85 ILE MG 1 90 GLU HB2 . . 5.000 1.934 1.934 1.934 . 0 0 "[ ]" 2
1224 1 85 ILE MG 1 90 GLU HB3 . . 5.400 2.112 2.112 2.112 . 0 0 "[ ]" 2
1225 1 85 ILE MG 1 91 ARG H . . 6.000 4.153 4.153 4.153 . 0 0 "[ ]" 2
1226 1 85 ILE MG 1 91 ARG HA . . 5.700 4.760 4.760 4.760 . 0 0 "[ ]" 2
1227 1 85 ILE QG 1 86 LYS H . . 4.200 2.962 2.962 2.962 . 0 0 "[ ]" 2
1228 1 85 ILE QG 1 86 LYS QG . . 7.500 3.896 3.896 3.896 . 0 0 "[ ]" 2
1229 1 85 ILE QG 1 90 GLU HA . . 5.900 5.499 5.499 5.499 . 0 0 "[ ]" 2
1230 1 85 ILE MD 1 86 LYS H . . 7.000 3.987 3.987 3.987 . 0 0 "[ ]" 2
1231 1 85 ILE MD 1 86 LYS QG . . 8.500 4.689 4.689 4.689 . 0 0 "[ ]" 2
1232 1 85 ILE MD 1 90 GLU HB2 . . 7.500 3.016 3.016 3.016 . 0 0 "[ ]" 2
1233 1 85 ILE MD 1 90 GLU HB3 . . 6.000 4.070 4.070 4.070 . 0 0 "[ ]" 2
1234 1 85 ILE MD 1 94 LEU QB . . 4.400 3.251 3.251 3.251 . 0 0 "[ ]" 2
1235 1 85 ILE MD 1 94 LEU MD1 . . 6.300 2.056 2.056 2.056 . 0 0 "[ ]" 2
1236 1 86 LYS H 1 86 LYS HB2 . . 4.100 2.852 2.852 2.852 . 0 0 "[ ]" 2
1237 1 86 LYS H 1 86 LYS HB3 . . 3.700 3.670 3.670 3.670 . 0 0 "[ ]" 2
1238 1 86 LYS H 1 90 GLU H . . 6.100 4.857 4.857 4.857 . 0 0 "[ ]" 2
1239 1 86 LYS H 1 90 GLU HB2 . . 3.700 3.716 3.716 3.716 0.016 1 0 "[ ]" 2
1240 1 86 LYS H 1 90 GLU HB3 . . 4.400 2.732 2.732 2.732 . 0 0 "[ ]" 2
1241 1 86 LYS HA 1 86 LYS QE . . 5.200 4.685 4.685 4.685 . 0 0 "[ ]" 2
1242 1 86 LYS HA 1 87 LYS H . . 3.700 3.560 3.560 3.560 . 0 0 "[ ]" 2
1243 1 86 LYS HB2 1 87 LYS H . . 3.800 2.089 2.089 2.089 . 0 0 "[ ]" 2
1244 1 86 LYS HB2 1 88 LYS H . . 4.700 3.730 3.730 3.730 . 0 0 "[ ]" 2
1245 1 86 LYS HB2 1 89 THR H . . 3.700 3.773 3.773 3.773 0.073 1 0 "[ ]" 2
1246 1 86 LYS HB2 1 90 GLU H . . 3.700 2.613 2.613 2.613 . 0 0 "[ ]" 2
1247 1 86 LYS HB3 1 87 LYS H . . 3.000 2.999 2.999 2.999 . 0 0 "[ ]" 2
1248 1 86 LYS HB3 1 87 LYS HA . . 5.100 5.109 5.109 5.109 0.009 1 0 "[ ]" 2
1249 1 86 LYS HB3 1 88 LYS H . . 4.400 4.032 4.032 4.032 . 0 0 "[ ]" 2
1250 1 86 LYS HB3 1 90 GLU H . . 3.900 3.947 3.947 3.947 0.047 1 0 "[ ]" 2
1251 1 86 LYS QG 1 87 LYS H . . 5.400 3.948 3.948 3.948 . 0 0 "[ ]" 2
1252 1 86 LYS QD 1 89 THR HB . . 6.300 3.480 3.480 3.480 . 0 0 "[ ]" 2
1253 1 86 LYS QE 1 89 THR MG . . 5.400 3.326 3.326 3.326 . 0 0 "[ ]" 2
1254 1 87 LYS H 1 87 LYS QB . . 3.800 3.190 3.190 3.190 . 0 0 "[ ]" 2
1255 1 87 LYS H 1 88 LYS H . . 6.200 2.607 2.607 2.607 . 0 0 "[ ]" 2
1256 1 87 LYS H 1 88 LYS QB . . 5.600 4.617 4.617 4.617 . 0 0 "[ ]" 2
1257 1 87 LYS H 1 89 THR H . . 4.300 3.637 3.637 3.637 . 0 0 "[ ]" 2
1258 1 87 LYS H 1 90 GLU H . . 4.000 2.778 2.778 2.778 . 0 0 "[ ]" 2
1259 1 87 LYS H 1 90 GLU HB3 . . 4.100 2.609 2.609 2.609 . 0 0 "[ ]" 2
1260 1 87 LYS HA 1 88 LYS H . . 3.900 3.520 3.520 3.520 . 0 0 "[ ]" 2
1261 1 87 LYS HA 1 89 THR H . . 5.400 5.344 5.344 5.344 . 0 0 "[ ]" 2
1262 1 87 LYS QB 1 88 LYS H . . 7.500 2.276 2.276 2.276 . 0 0 "[ ]" 2
1263 1 87 LYS QB 1 90 GLU H . . 5.300 4.800 4.800 4.800 . 0 0 "[ ]" 2
1264 1 88 LYS H 1 89 THR H . . 4.600 1.992 1.992 1.992 . 0 0 "[ ]" 2
1265 1 88 LYS H 1 89 THR HA . . 6.500 4.741 4.741 4.741 . 0 0 "[ ]" 2
1266 1 88 LYS HA 1 88 LYS QD . . 5.100 3.888 3.888 3.888 . 0 0 "[ ]" 2
1267 1 88 LYS HA 1 88 LYS QE . . 6.300 4.812 4.812 4.812 . 0 0 "[ ]" 2
1268 1 88 LYS HA 1 89 THR H . . 4.800 3.581 3.581 3.581 . 0 0 "[ ]" 2
1269 1 88 LYS HA 1 91 ARG H . . 4.400 3.940 3.940 3.940 . 0 0 "[ ]" 2
1270 1 88 LYS QB 1 89 THR H . . 5.900 2.767 2.767 2.767 . 0 0 "[ ]" 2
1271 1 88 LYS QG 1 89 THR HA . . 7.500 4.061 4.061 4.061 . 0 0 "[ ]" 2
1272 1 89 THR H 1 89 THR HB . . 3.700 2.614 2.614 2.614 . 0 0 "[ ]" 2
1273 1 89 THR H 1 89 THR MG . . 4.700 3.719 3.719 3.719 . 0 0 "[ ]" 2
1274 1 89 THR H 1 90 GLU H . . 4.400 2.337 2.337 2.337 . 0 0 "[ ]" 2
1275 1 89 THR HA 1 89 THR HB . . 3.100 3.035 3.035 3.035 . 0 0 "[ ]" 2
1276 1 89 THR HA 1 90 GLU H . . 4.700 3.583 3.583 3.583 . 0 0 "[ ]" 2
1277 1 89 THR HA 1 90 GLU QG . . 5.800 4.793 4.793 4.793 . 0 0 "[ ]" 2
1278 1 89 THR HA 1 92 GLU H . . 3.900 3.836 3.836 3.836 . 0 0 "[ ]" 2
1279 1 89 THR HB 1 90 GLU H . . 4.400 2.835 2.835 2.835 . 0 0 "[ ]" 2
1280 1 89 THR MG 1 90 GLU H . . 6.700 4.025 4.025 4.025 . 0 0 "[ ]" 2
1281 1 89 THR MG 1 93 ASP H . . 7.100 3.752 3.752 3.752 . 0 0 "[ ]" 2
1282 1 90 GLU H 1 90 GLU HB2 . . 3.400 3.471 3.471 3.471 0.071 1 0 "[ ]" 2
1283 1 90 GLU H 1 90 GLU HB3 . . 3.400 2.452 2.452 2.452 . 0 0 "[ ]" 2
1284 1 90 GLU H 1 91 ARG H . . 3.800 2.942 2.942 2.942 . 0 0 "[ ]" 2
1285 1 90 GLU HA 1 91 ARG H . . 4.700 3.545 3.545 3.545 . 0 0 "[ ]" 2
1286 1 90 GLU HA 1 93 ASP QB . . 5.400 2.541 2.541 2.541 . 0 0 "[ ]" 2
1287 1 90 GLU HB3 1 91 ARG H . . 4.200 3.777 3.777 3.777 . 0 0 "[ ]" 2
1288 1 90 GLU QG 1 91 ARG H . . 7.500 1.860 1.860 1.860 . 0 0 "[ ]" 2
1289 1 90 GLU QG 1 92 GLU H . . 5.900 4.313 4.313 4.313 . 0 0 "[ ]" 2
1290 1 91 ARG H 1 91 ARG HB2 . . 3.800 3.505 3.505 3.505 . 0 0 "[ ]" 2
1291 1 91 ARG H 1 91 ARG HB3 . . 3.200 2.549 2.549 2.549 . 0 0 "[ ]" 2
1292 1 91 ARG H 1 92 GLU H . . 3.600 2.813 2.813 2.813 . 0 0 "[ ]" 2
1293 1 91 ARG HA 1 92 GLU H . . 4.700 3.320 3.320 3.320 . 0 0 "[ ]" 2
1294 1 91 ARG HA 1 92 GLU HA . . 5.200 4.619 4.619 4.619 . 0 0 "[ ]" 2
1295 1 91 ARG HA 1 94 LEU H . . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 2
1296 1 91 ARG HA 1 94 LEU MD2 . . 5.400 4.536 4.536 4.536 . 0 0 "[ ]" 2
1297 1 91 ARG HA 1 95 ILE MD . . 7.500 2.326 2.326 2.326 . 0 0 "[ ]" 2
1298 1 92 GLU HA 1 95 ILE H . . 4.300 4.199 4.199 4.199 . 0 0 "[ ]" 2
1299 1 92 GLU HA 1 95 ILE HA . . 5.900 5.749 5.749 5.749 . 0 0 "[ ]" 2
1300 1 92 GLU HA 1 95 ILE MG . . 4.900 2.776 2.776 2.776 . 0 0 "[ ]" 2
1301 1 92 GLU HA 1 95 ILE QG . . 4.700 5.008 5.008 5.008 0.308 1 0 "[ ]" 2
1302 1 92 GLU HA 1 95 ILE MD . . 7.000 3.964 3.964 3.964 . 0 0 "[ ]" 2
1303 1 92 GLU HA 1 96 ALA H . . 4.300 3.968 3.968 3.968 . 0 0 "[ ]" 2
1304 1 92 GLU QG 1 95 ILE MG . . 7.400 3.868 3.868 3.868 . 0 0 "[ ]" 2
1305 1 93 ASP H 1 94 LEU H . . 3.300 2.684 2.684 2.684 . 0 0 "[ ]" 2
1306 1 93 ASP H 1 94 LEU QB . . 3.800 4.239 4.239 4.239 0.439 1 0 "[ ]" 2
1307 1 93 ASP H 1 95 ILE H . . 4.000 3.885 3.885 3.885 . 0 0 "[ ]" 2
1308 1 93 ASP H 1 96 ALA H . . 4.600 4.225 4.225 4.225 . 0 0 "[ ]" 2
1309 1 93 ASP H 1 96 ALA MB . . 5.300 4.434 4.434 4.434 . 0 0 "[ ]" 2
1310 1 93 ASP HA 1 94 LEU H . . 3.800 3.639 3.639 3.639 . 0 0 "[ ]" 2
1311 1 93 ASP HA 1 96 ALA H . . 4.700 3.306 3.306 3.306 . 0 0 "[ ]" 2
1312 1 93 ASP QB 1 94 LEU H . . 4.700 2.487 2.487 2.487 . 0 0 "[ ]" 2
1313 1 94 LEU H 1 94 LEU QB . . 3.000 2.051 2.051 2.051 . 0 0 "[ ]" 2
1314 1 94 LEU H 1 94 LEU HG . . 4.900 4.274 4.274 4.274 . 0 0 "[ ]" 2
1315 1 94 LEU H 1 94 LEU MD1 . . 5.200 3.946 3.946 3.946 . 0 0 "[ ]" 2
1316 1 94 LEU H 1 94 LEU MD2 . . 5.400 4.181 4.181 4.181 . 0 0 "[ ]" 2
1317 1 94 LEU H 1 95 ILE H . . 3.300 2.515 2.515 2.515 . 0 0 "[ ]" 2
1318 1 94 LEU H 1 95 ILE MG . . 7.500 5.264 5.264 5.264 . 0 0 "[ ]" 2
1319 1 94 LEU H 1 98 LEU MD1 . . 7.500 5.304 5.304 5.304 . 0 0 "[ ]" 2
1320 1 94 LEU HA 1 94 LEU MD1 . . 4.400 3.159 3.159 3.159 . 0 0 "[ ]" 2
1321 1 94 LEU HA 1 95 ILE H . . 4.300 3.518 3.518 3.518 . 0 0 "[ ]" 2
1322 1 94 LEU HA 1 96 ALA H . . 4.200 4.211 4.211 4.211 0.011 1 0 "[ ]" 2
1323 1 94 LEU HA 1 97 TYR QD . . 6.400 4.072 4.072 4.072 . 0 0 "[ ]" 2
1324 1 94 LEU QB 1 95 ILE H . . 3.800 2.343 2.343 2.343 . 0 0 "[ ]" 2
1325 1 94 LEU QB 1 97 TYR QD . . 6.500 5.482 5.482 5.482 . 0 0 "[ ]" 2
1326 1 94 LEU HG 1 95 ILE H . . 4.900 4.355 4.355 4.355 . 0 0 "[ ]" 2
1327 1 94 LEU HG 1 95 ILE HA . . 6.500 4.938 4.938 4.938 . 0 0 "[ ]" 2
1328 1 94 LEU HG 1 98 LEU MD1 . . 5.300 2.349 2.349 2.349 . 0 0 "[ ]" 2
1329 1 94 LEU MD1 1 95 ILE H . . 5.600 4.731 4.731 4.731 . 0 0 "[ ]" 2
1330 1 94 LEU MD1 1 96 ALA H . . 7.500 6.302 6.302 6.302 . 0 0 "[ ]" 2
1331 1 94 LEU MD1 1 97 TYR QD . . 4.700 4.930 4.930 4.930 0.230 1 0 "[ ]" 2
1332 1 94 LEU MD1 1 97 TYR HE2 . . 7.000 5.770 5.770 5.770 . 0 0 "[ ]" 2
1333 1 94 LEU MD1 1 98 LEU H . . 5.800 5.763 5.763 5.763 . 0 0 "[ ]" 2
1334 1 94 LEU MD1 1 98 LEU MD1 . . 5.500 3.301 3.301 3.301 . 0 0 "[ ]" 2
1335 1 94 LEU MD1 1 99 LYS H . . 7.500 7.785 7.785 7.785 0.285 1 0 "[ ]" 2
1336 1 94 LEU MD2 1 95 ILE H . . 6.200 3.389 3.389 3.389 . 0 0 "[ ]" 2
1337 1 94 LEU MD2 1 95 ILE HA . . 7.500 3.340 3.340 3.340 . 0 0 "[ ]" 2
1338 1 94 LEU MD2 1 95 ILE MD . . 8.500 3.926 3.926 3.926 . 0 0 "[ ]" 2
1339 1 94 LEU MD2 1 96 ALA H . . 7.500 5.210 5.210 5.210 . 0 0 "[ ]" 2
1340 1 94 LEU MD2 1 97 TYR QD . . 7.500 4.496 4.496 4.496 . 0 0 "[ ]" 2
1341 1 94 LEU MD2 1 98 LEU H . . 7.500 4.251 4.251 4.251 . 0 0 "[ ]" 2
1342 1 94 LEU MD2 1 98 LEU HG . . 5.600 4.135 4.135 4.135 . 0 0 "[ ]" 2
1343 1 94 LEU MD2 1 98 LEU MD1 . . 5.000 1.903 1.903 1.903 . 0 0 "[ ]" 2
1344 1 95 ILE H 1 95 ILE HB . . 3.000 1.995 1.995 1.995 . 0 0 "[ ]" 2
1345 1 95 ILE H 1 95 ILE QG . . 3.800 3.040 3.040 3.040 . 0 0 "[ ]" 2
1346 1 95 ILE H 1 95 ILE MD . . 5.200 3.421 3.421 3.421 . 0 0 "[ ]" 2
1347 1 95 ILE H 1 96 ALA H . . 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 2
1348 1 95 ILE H 1 96 ALA HA . . 5.100 5.162 5.162 5.162 0.062 1 0 "[ ]" 2
1349 1 95 ILE H 1 98 LEU MD1 . . 7.500 4.354 4.354 4.354 . 0 0 "[ ]" 2
1350 1 95 ILE HA 1 95 ILE QG . . 3.900 2.097 2.097 2.097 . 0 0 "[ ]" 2
1351 1 95 ILE HA 1 96 ALA H . . 4.200 3.549 3.549 3.549 . 0 0 "[ ]" 2
1352 1 95 ILE HA 1 97 TYR H . . 5.200 4.350 4.350 4.350 . 0 0 "[ ]" 2
1353 1 95 ILE HA 1 98 LEU H . . 3.700 3.336 3.336 3.336 . 0 0 "[ ]" 2
1354 1 95 ILE HA 1 98 LEU QB . . 3.800 2.567 2.567 2.567 . 0 0 "[ ]" 2
1355 1 95 ILE HA 1 98 LEU MD1 . . 4.100 3.396 3.396 3.396 . 0 0 "[ ]" 2
1356 1 95 ILE HA 1 98 LEU MD2 . . 6.800 5.206 5.206 5.206 . 0 0 "[ ]" 2
1357 1 95 ILE HA 1 99 LYS H . . 4.500 3.396 3.396 3.396 . 0 0 "[ ]" 2
1358 1 95 ILE HB 1 96 ALA H . . 3.500 3.180 3.180 3.180 . 0 0 "[ ]" 2
1359 1 95 ILE MG 1 96 ALA H . . 7.300 2.951 2.951 2.951 . 0 0 "[ ]" 2
1360 1 95 ILE QG 1 98 LEU MD1 . . 6.800 3.895 3.895 3.895 . 0 0 "[ ]" 2
1361 1 95 ILE QG 1 96 ALA H . . 4.100 4.489 4.489 4.489 0.389 1 0 "[ ]" 2
1362 1 95 ILE QG 1 96 ALA HA . . 5.200 5.471 5.471 5.471 0.271 1 0 "[ ]" 2
1363 1 95 ILE MD 1 96 ALA H . . 7.100 4.944 4.944 4.944 . 0 0 "[ ]" 2
1364 1 95 ILE MD 1 98 LEU MD1 . . 7.300 5.041 5.041 5.041 . 0 0 "[ ]" 2
1365 1 96 ALA H 1 96 ALA HA . . 3.100 2.815 2.815 2.815 . 0 0 "[ ]" 2
1366 1 96 ALA H 1 96 ALA MB . . 3.300 2.308 2.308 2.308 . 0 0 "[ ]" 2
1367 1 96 ALA H 1 97 TYR H . . 4.200 2.656 2.656 2.656 . 0 0 "[ ]" 2
1368 1 96 ALA H 1 98 LEU H . . 4.400 4.400 4.400 4.400 . 0 0 "[ ]" 2
1369 1 96 ALA H 1 98 LEU MD1 . . 7.500 5.317 5.317 5.317 . 0 0 "[ ]" 2
1370 1 96 ALA HA 1 97 TYR H . . 3.700 3.542 3.542 3.542 . 0 0 "[ ]" 2
1371 1 96 ALA HA 1 99 LYS H . . 3.900 3.911 3.911 3.911 0.011 1 0 "[ ]" 2
1372 1 96 ALA HA 1 99 LYS QB . . 5.100 2.999 2.999 2.999 . 0 0 "[ ]" 2
1373 1 96 ALA HA 1 99 LYS QD . . 7.500 3.312 3.312 3.312 . 0 0 "[ ]" 2
1374 1 96 ALA MB 1 97 TYR H . . 3.300 2.593 2.593 2.593 . 0 0 "[ ]" 2
1375 1 97 TYR H 1 97 TYR HB2 . . 3.200 2.823 2.823 2.823 . 0 0 "[ ]" 2
1376 1 97 TYR H 1 97 TYR HB3 . . 3.300 2.231 2.231 2.231 . 0 0 "[ ]" 2
1377 1 97 TYR H 1 97 TYR QD . . 4.500 4.030 4.030 4.030 . 0 0 "[ ]" 2
1378 1 97 TYR H 1 98 LEU H . . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 2
1379 1 97 TYR HA 1 97 TYR QD . . 4.100 2.653 2.653 2.653 . 0 0 "[ ]" 2
1380 1 97 TYR HA 1 98 LEU H . . 4.700 3.676 3.676 3.676 . 0 0 "[ ]" 2
1381 1 97 TYR HB2 1 98 LEU H . . 4.000 4.040 4.040 4.040 0.040 1 0 "[ ]" 2
1382 1 97 TYR HB3 1 98 LEU H . . 3.800 2.692 2.692 2.692 . 0 0 "[ ]" 2
1383 1 97 TYR QD 1 98 LEU H . . 4.000 2.755 2.755 2.755 . 0 0 "[ ]" 2
1384 1 97 TYR QD 1 98 LEU HA . . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 2
1385 1 97 TYR QD 1 98 LEU QB . . 3.500 3.892 3.892 3.892 0.392 1 0 "[ ]" 2
1386 1 97 TYR QD 1 98 LEU HG . . 4.000 2.120 2.120 2.120 . 0 0 "[ ]" 2
1387 1 97 TYR QD 1 98 LEU MD1 . . 6.500 2.810 2.810 2.810 . 0 0 "[ ]" 2
1388 1 97 TYR QD 1 98 LEU MD2 . . 5.000 3.627 3.627 3.627 . 0 0 "[ ]" 2
1389 1 97 TYR QD 1 99 LYS H . . 6.500 5.254 5.254 5.254 . 0 0 "[ ]" 2
1390 1 97 TYR QD 1 100 LYS HB3 . . 5.600 3.643 3.643 3.643 . 0 0 "[ ]" 2
1391 1 97 TYR QD 1 101 ALA MB . . 6.400 3.890 3.890 3.890 . 0 0 "[ ]" 2
1392 1 97 TYR HE2 1 98 LEU H . . 6.000 4.940 4.940 4.940 . 0 0 "[ ]" 2
1393 1 97 TYR HE2 1 98 LEU HA . . 6.000 4.456 4.456 4.456 . 0 0 "[ ]" 2
1394 1 97 TYR HE2 1 98 LEU HG . . 5.200 3.068 3.068 3.068 . 0 0 "[ ]" 2
1395 1 97 TYR HE2 1 98 LEU MD1 . . 7.500 3.683 3.683 3.683 . 0 0 "[ ]" 2
1396 1 97 TYR HE2 1 98 LEU MD2 . . 5.200 3.321 3.321 3.321 . 0 0 "[ ]" 2
1397 1 97 TYR HE2 1 101 ALA MB . . 5.100 4.085 4.085 4.085 . 0 0 "[ ]" 2
1398 1 97 TYR HE1 1 101 ALA MB . . 6.100 3.740 3.740 3.740 . 0 0 "[ ]" 2
1399 1 98 LEU H 1 98 LEU QB . . 2.900 2.189 2.189 2.189 . 0 0 "[ ]" 2
1400 1 98 LEU H 1 98 LEU HG . . 3.600 2.582 2.582 2.582 . 0 0 "[ ]" 2
1401 1 98 LEU H 1 98 LEU MD1 . . 4.900 2.750 2.750 2.750 . 0 0 "[ ]" 2
1402 1 98 LEU H 1 98 LEU MD2 . . 4.700 3.982 3.982 3.982 . 0 0 "[ ]" 2
1403 1 98 LEU H 1 99 LYS H . . 3.100 2.885 2.885 2.885 . 0 0 "[ ]" 2
1404 1 98 LEU HA 1 98 LEU MD2 . . 4.000 2.493 2.493 2.493 . 0 0 "[ ]" 2
1405 1 98 LEU HA 1 99 LYS H . . 4.600 3.569 3.569 3.569 . 0 0 "[ ]" 2
1406 1 98 LEU HA 1 100 LYS H . . 6.100 3.615 3.615 3.615 . 0 0 "[ ]" 2
1407 1 98 LEU HA 1 101 ALA H . . 3.900 2.801 2.801 2.801 . 0 0 "[ ]" 2
1408 1 98 LEU HA 1 101 ALA HA . . 5.700 4.789 4.789 4.789 . 0 0 "[ ]" 2
1409 1 98 LEU HA 1 101 ALA MB . . 4.100 2.293 2.293 2.293 . 0 0 "[ ]" 2
1410 1 98 LEU HA 1 102 THR H . . 4.300 3.639 3.639 3.639 . 0 0 "[ ]" 2
1411 1 98 LEU HA 1 102 THR MG . . 5.500 3.472 3.472 3.472 . 0 0 "[ ]" 2
1412 1 98 LEU QB 1 99 LYS H . . 3.200 2.902 2.902 2.902 . 0 0 "[ ]" 2
1413 1 98 LEU HG 1 100 LYS H . . 5.400 5.460 5.460 5.460 0.060 1 0 "[ ]" 2
1414 1 98 LEU MD1 1 99 LYS H . . 6.400 4.636 4.636 4.636 . 0 0 "[ ]" 2
1415 1 98 LEU MD2 1 99 LYS H . . 7.500 5.030 5.030 5.030 . 0 0 "[ ]" 2
1416 1 98 LEU MD2 1 101 ALA MB . . 6.400 2.723 2.723 2.723 . 0 0 "[ ]" 2
1417 1 99 LYS H 1 100 LYS H . . 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 2
1418 1 99 LYS HA 1 99 LYS QD . . 4.900 4.145 4.145 4.145 . 0 0 "[ ]" 2
1419 1 99 LYS HA 1 100 LYS H . . 4.300 3.491 3.491 3.491 . 0 0 "[ ]" 2
1420 1 99 LYS HA 1 102 THR H . . 4.900 3.923 3.923 3.923 . 0 0 "[ ]" 2
1421 1 99 LYS HA 1 102 THR HG1 . . 5.500 4.809 4.809 4.809 . 0 0 "[ ]" 2
1422 1 99 LYS QB 1 100 LYS H . . 5.200 3.116 3.116 3.116 . 0 0 "[ ]" 2
1423 1 99 LYS QB 1 101 ALA H . . 5.700 5.080 5.080 5.080 . 0 0 "[ ]" 2
1424 1 99 LYS QG 1 102 THR HG1 . . 7.500 5.919 5.919 5.919 . 0 0 "[ ]" 2
1425 1 100 LYS H 1 100 LYS HB2 . . 3.200 2.552 2.552 2.552 . 0 0 "[ ]" 2
1426 1 100 LYS H 1 100 LYS HB3 . . 3.200 2.731 2.731 2.731 . 0 0 "[ ]" 2
1427 1 100 LYS H 1 100 LYS HG2 . . 5.300 4.761 4.761 4.761 . 0 0 "[ ]" 2
1428 1 100 LYS H 1 100 LYS HG3 . . 4.500 4.497 4.497 4.497 . 0 0 "[ ]" 2
1429 1 100 LYS H 1 101 ALA H . . 3.600 2.353 2.353 2.353 . 0 0 "[ ]" 2
1430 1 100 LYS HA 1 100 LYS HB2 . . 3.100 2.646 2.646 2.646 . 0 0 "[ ]" 2
1431 1 100 LYS HA 1 100 LYS HG2 . . 3.900 3.670 3.670 3.670 . 0 0 "[ ]" 2
1432 1 100 LYS HA 1 100 LYS HG3 . . 4.200 2.600 2.600 2.600 . 0 0 "[ ]" 2
1433 1 100 LYS HB2 1 101 ALA H . . 3.400 3.619 3.619 3.619 0.219 1 0 "[ ]" 2
1434 1 100 LYS HG3 1 101 ALA H . . 4.900 4.103 4.103 4.103 . 0 0 "[ ]" 2
1435 1 101 ALA H 1 101 ALA MB . . 3.300 2.248 2.248 2.248 . 0 0 "[ ]" 2
1436 1 101 ALA H 1 102 THR H . . 3.900 3.081 3.081 3.081 . 0 0 "[ ]" 2
1437 1 101 ALA HA 1 102 THR H . . 4.200 3.652 3.652 3.652 . 0 0 "[ ]" 2
1438 1 101 ALA HA 1 103 ASN H . . 3.900 3.848 3.848 3.848 . 0 0 "[ ]" 2
1439 1 101 ALA HA 1 104 GLU H . . 4.300 4.231 4.231 4.231 . 0 0 "[ ]" 2
1440 1 101 ALA MB 1 102 THR H . . 3.500 2.462 2.462 2.462 . 0 0 "[ ]" 2
1441 1 102 THR H 1 103 ASN H . . 4.200 3.342 3.342 3.342 . 0 0 "[ ]" 2
1442 1 102 THR H 1 104 GLU H . . 6.500 4.500 4.500 4.500 . 0 0 "[ ]" 2
1443 1 102 THR HA 1 103 ASN H . . 5.400 2.934 2.934 2.934 . 0 0 "[ ]" 2
1444 1 102 THR HG1 1 103 ASN HB2 . . 5.000 3.006 3.006 3.006 . 0 0 "[ ]" 2
1445 1 102 THR HG1 1 103 ASN HB3 . . 5.500 4.246 4.246 4.246 . 0 0 "[ ]" 2
1446 1 103 ASN H 1 103 ASN HB2 . . 3.900 3.441 3.441 3.441 . 0 0 "[ ]" 2
1447 1 103 ASN H 1 103 ASN HB3 . . 3.700 2.768 2.768 2.768 . 0 0 "[ ]" 2
1448 1 103 ASN H 1 104 GLU H . . 3.500 2.185 2.185 2.185 . 0 0 "[ ]" 2
1449 1 103 ASN H 1 104 GLU HA . . 6.500 4.182 4.182 4.182 . 0 0 "[ ]" 2
1450 1 103 ASN H 1 104 GLU QG . . 7.500 4.175 4.175 4.175 . 0 0 "[ ]" 2
1451 1 103 ASN HB2 1 104 GLU H . . 4.600 3.801 3.801 3.801 . 0 0 "[ ]" 2
1452 1 103 ASN HB3 1 104 GLU H . . 4.300 2.327 2.327 2.327 . 0 0 "[ ]" 2
1453 1 103 ASN HB3 1 104 GLU HA . . 5.400 4.166 4.166 4.166 . 0 0 "[ ]" 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 28
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.071
_Distance_constraint_stats_list.Viol_max 0.042
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0356
_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 6 GLY 0.000 0.000 . 0 "[ ]"
1 9 ILE 0.000 0.000 . 0 "[ ]"
1 10 PHE 0.029 0.029 1 0 "[ ]"
1 11 VAL 0.042 0.042 1 0 "[ ]"
1 13 LYS 0.029 0.029 1 0 "[ ]"
1 14 CYS 0.042 0.042 1 0 "[ ]"
1 60 LYS 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.000 0.000 . 0 "[ ]"
1 64 LEU 0.000 0.000 . 0 "[ ]"
1 65 MET 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.000 0.000 . 0 "[ ]"
1 89 THR 0.000 0.000 . 0 "[ ]"
1 90 GLU 0.000 0.000 . 0 "[ ]"
1 93 ASP 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 ILE 0.000 0.000 . 0 "[ ]"
1 97 TYR 0.000 0.000 . 0 "[ ]"
1 98 LEU 0.000 0.000 . 0 "[ ]"
1 99 LYS 0.000 0.000 . 0 "[ ]"
1 100 LYS 0.000 0.000 . 0 "[ ]"
1 101 ALA 0.000 0.000 . 0 "[ ]"
1 102 THR 0.000 0.000 . 0 "[ ]"
1 103 ASN 0.000 0.000 . 0 "[ ]"
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 1 101 ALA O 1 103 ASN H . . 2.400 2.046 2.046 2.046 . 0 0 "[ ]" 3
2 1 101 ALA O 1 103 ASN N . . 3.400 2.868 2.868 2.868 . 0 0 "[ ]" 3
3 1 98 LEU O 1 102 THR H . . 2.400 1.958 1.958 1.958 . 0 0 "[ ]" 3
4 1 98 LEU O 1 102 THR N . . 3.400 2.963 2.963 2.963 . 0 0 "[ ]" 3
5 1 97 TYR O 1 101 ALA H . . 2.400 1.922 1.922 1.922 . 0 0 "[ ]" 3
6 1 97 TYR O 1 101 ALA N . . 3.400 2.899 2.899 2.899 . 0 0 "[ ]" 3
7 1 97 TYR O 1 100 LYS H . . 2.400 1.947 1.947 1.947 . 0 0 "[ ]" 3
8 1 97 TYR O 1 100 LYS N . . 3.400 2.805 2.805 2.805 . 0 0 "[ ]" 3
9 1 95 ILE O 1 99 LYS H . . 2.400 1.873 1.873 1.873 . 0 0 "[ ]" 3
10 1 95 ILE O 1 99 LYS N . . 3.400 2.826 2.826 2.826 . 0 0 "[ ]" 3
11 1 94 LEU O 1 98 LEU H . . 2.400 1.954 1.954 1.954 . 0 0 "[ ]" 3
12 1 94 LEU O 1 98 LEU N . . 3.400 2.954 2.954 2.954 . 0 0 "[ ]" 3
13 1 90 GLU O 1 94 LEU H . . 2.400 1.909 1.909 1.909 . 0 0 "[ ]" 3
14 1 90 GLU O 1 94 LEU N . . 3.400 2.875 2.875 2.875 . 0 0 "[ ]" 3
15 1 89 THR O 1 93 ASP H . . 2.400 1.964 1.964 1.964 . 0 0 "[ ]" 3
16 1 89 THR O 1 93 ASP N . . 3.400 2.882 2.882 2.882 . 0 0 "[ ]" 3
17 1 64 LEU O 1 68 LEU H . . 2.400 1.858 1.858 1.858 . 0 0 "[ ]" 3
18 1 64 LEU O 1 68 LEU N . . 3.400 2.754 2.754 2.754 . 0 0 "[ ]" 3
19 1 61 GLU O 1 65 MET H . . 2.400 1.924 1.924 1.924 . 0 0 "[ ]" 3
20 1 61 GLU O 1 65 MET N . . 3.400 2.885 2.885 2.885 . 0 0 "[ ]" 3
21 1 60 LYS O 1 64 LEU H . . 2.400 1.881 1.881 1.881 . 0 0 "[ ]" 3
22 1 60 LYS O 1 64 LEU N . . 3.400 2.842 2.842 2.842 . 0 0 "[ ]" 3
23 1 11 VAL O 1 14 CYS H . . 2.400 2.442 2.442 2.442 0.042 1 0 "[ ]" 3
24 1 11 VAL O 1 14 CYS N . . 3.400 2.984 2.984 2.984 . 0 0 "[ ]" 3
25 1 10 PHE O 1 13 LYS H . . 2.400 2.429 2.429 2.429 0.029 1 0 "[ ]" 3
26 1 10 PHE O 1 13 LYS N . . 3.400 3.022 3.022 3.022 . 0 0 "[ ]" 3
27 1 6 GLY O 1 9 ILE H . . 2.400 1.945 1.945 1.945 . 0 0 "[ ]" 3
28 1 6 GLY O 1 9 ILE N . . 3.400 2.935 2.935 2.935 . 0 0 "[ ]" 3
stop_
save_
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