NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407596 |
1yfb   |
6478 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yfb
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 325
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 249.981
_Distance_constraint_stats_list.Viol_max 18.374
_Distance_constraint_stats_list.Viol_rms 2.9620
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7692
_Distance_constraint_stats_list.Viol_average_violations_only 3.9680
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 SER 0.332 0.332 1 0 "[ ]"
1 12 THR 0.668 0.332 1 0 "[ ]"
1 13 GLY 0.024 0.019 1 0 "[ ]"
1 14 ILE 0.132 0.113 1 0 "[ ]"
1 15 VAL 101.168 15.541 1 1 [+]
1 16 ARG 7.284 7.222 1 1 [+]
1 17 LYS 17.427 17.427 1 1 [+]
1 18 VAL 76.129 18.374 1 1 [+]
1 19 ASP 15.241 15.241 1 1 [+]
1 20 GLU 0.000 0.000 . 0 "[ ]"
1 21 LEU 7.288 6.103 1 1 [+]
1 22 GLY 7.323 7.323 1 1 [+]
1 23 ARG 12.405 4.726 1 1 [+]
1 24 VAL 0.860 0.860 1 1 [+]
1 25 VAL 7.355 4.260 1 1 [+]
1 26 ILE 12.054 7.323 1 1 [+]
1 27 PRO 0.070 0.070 1 0 "[ ]"
1 28 ILE 0.209 0.078 1 0 "[ ]"
1 29 GLU 0.092 0.070 1 0 "[ ]"
1 30 LEU 0.545 0.346 1 0 "[ ]"
1 31 ARG 6.114 6.103 1 1 [+]
1 32 ARG 0.285 0.131 1 0 "[ ]"
1 33 THR 0.016 0.015 1 0 "[ ]"
1 34 LEU 0.015 0.015 1 0 "[ ]"
1 35 GLY 0.101 0.101 1 0 "[ ]"
1 36 ILE 14.115 13.929 1 1 [+]
1 37 ALA 11.491 11.406 1 1 [+]
1 38 GLU 0.000 0.000 . 0 "[ ]"
1 39 LYS 25.771 15.241 1 1 [+]
1 40 ASP 11.582 11.139 1 1 [+]
1 41 ALA 41.983 18.374 1 1 [+]
1 42 LEU 37.081 17.427 1 1 [+]
1 43 GLU 23.323 12.668 1 1 [+]
1 44 ILE 15.541 15.541 1 1 [+]
1 45 TYR 0.765 0.584 1 1 [+]
1 46 VAL 1.178 0.778 1 1 [+]
1 47 ASP 1.127 0.778 1 1 [+]
1 48 ASP 0.345 0.246 1 0 "[ ]"
1 49 GLU 0.656 0.338 1 0 "[ ]"
1 50 LYS 0.073 0.073 1 0 "[ ]"
1 51 ILE 0.000 0.000 . 0 "[ ]"
1 52 ILE 0.584 0.584 1 1 [+]
1 53 LEU 0.585 0.440 1 0 "[ ]"
1 54 LYS 0.783 0.440 1 0 "[ ]"
1 55 LYS 0.126 0.126 1 0 "[ ]"
1 56 TYR 38.594 13.681 1 1 [+]
1 57 LYS 0.000 0.000 . 0 "[ ]"
1 58 PRO 0.000 0.000 . 0 "[ ]"
1 59 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 11 SER H 1 12 THR H 3.200 3.200 8.200 4.527 4.527 4.527 . 0 0 "[ ]" 1
2 1 11 SER HA 1 12 THR H 2.700 2.700 7.700 2.368 2.368 2.368 0.332 1 0 "[ ]" 1
3 1 12 THR H 1 12 THR HA 2.700 2.700 7.700 2.852 2.852 2.852 . 0 0 "[ ]" 1
4 1 12 THR H 1 12 THR HB 0.000 . 3.200 3.531 3.531 3.531 0.331 1 0 "[ ]" 1
5 1 12 THR H 1 12 THR MG 0.000 . 4.800 1.913 1.913 1.913 . 0 0 "[ ]" 1
6 1 12 THR H 1 13 GLY H 0.000 . 2.700 2.705 2.705 2.705 0.005 1 0 "[ ]" 1
7 1 12 THR HA 1 13 GLY H 2.700 2.700 7.700 3.548 3.548 3.548 . 0 0 "[ ]" 1
8 1 12 THR HB 1 13 GLY H 2.700 2.700 4.000 3.792 3.792 3.792 . 0 0 "[ ]" 1
9 1 13 GLY H 1 14 ILE H 2.700 2.700 4.000 2.681 2.681 2.681 0.019 1 0 "[ ]" 1
10 1 13 GLY QA 1 14 ILE H 0.000 . 3.500 2.697 2.697 2.697 . 0 0 "[ ]" 1
11 1 14 ILE H 1 14 ILE HA 2.700 2.700 7.700 3.010 3.010 3.010 . 0 0 "[ ]" 1
12 1 14 ILE H 1 14 ILE HB 0.000 . 2.700 2.542 2.542 2.542 . 0 0 "[ ]" 1
13 1 14 ILE H 1 15 VAL H 3.200 3.200 8.200 4.465 4.465 4.465 . 0 0 "[ ]" 1
14 1 14 ILE HA 1 15 VAL H 0.000 . 2.700 2.235 2.235 2.235 . 0 0 "[ ]" 1
15 1 14 ILE HA 1 15 VAL QG 0.000 . 5.600 3.314 3.314 3.314 . 0 0 "[ ]" 1
16 1 14 ILE HB 1 15 VAL H 0.000 . 4.000 4.113 4.113 4.113 0.113 1 0 "[ ]" 1
17 1 14 ILE MG 1 15 VAL H 0.000 . 4.000 2.381 2.381 2.381 . 0 0 "[ ]" 1
18 1 15 VAL H 1 15 VAL HA 2.700 2.700 7.700 2.994 2.994 2.994 . 0 0 "[ ]" 1
19 1 15 VAL H 1 15 VAL HB 0.000 . 2.700 2.444 2.444 2.444 . 0 0 "[ ]" 1
20 1 15 VAL H 1 15 VAL QG 0.000 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
21 1 15 VAL HA 1 16 ARG H 0.000 . 2.700 2.257 2.257 2.257 . 0 0 "[ ]" 1
22 1 15 VAL HA 1 44 ILE H 0.000 . 4.000 19.541 19.541 19.541 15.541 1 1 [+] 1
23 1 15 VAL HB 1 16 ARG H 0.000 . 4.000 4.062 4.062 4.062 0.062 1 0 "[ ]" 1
24 1 15 VAL QG 1 16 ARG H 0.000 . 4.000 2.080 2.080 2.080 . 0 0 "[ ]" 1
25 1 15 VAL QG 1 41 ALA MB 0.000 . 4.300 16.222 16.222 16.222 11.922 1 1 [+] 1
26 1 15 VAL QG 1 42 LEU H 0.000 . 4.800 16.740 16.740 16.740 11.940 1 1 [+] 1
27 1 15 VAL QG 1 43 GLU HA 0.000 . 4.000 16.668 16.668 16.668 12.668 1 1 [+] 1
28 1 15 VAL QG 1 43 GLU QB 0.000 . 4.800 15.318 15.318 15.318 10.518 1 1 [+] 1
29 1 15 VAL QG 1 56 TYR QB 0.000 . 4.800 16.219 16.219 16.219 11.419 1 1 [+] 1
30 1 15 VAL QG 1 56 TYR QD 0.000 . 4.000 17.304 17.304 17.304 13.304 1 1 [+] 1
31 1 15 VAL QG 1 56 TYR QE 0.000 . 4.800 18.481 18.481 18.481 13.681 1 1 [+] 1
32 1 16 ARG H 1 16 ARG HA 2.700 2.700 7.700 3.000 3.000 3.000 . 0 0 "[ ]" 1
33 1 16 ARG H 1 16 ARG HB2 0.000 . 4.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
34 1 16 ARG H 1 16 ARG HB3 0.000 . 3.200 2.628 2.628 2.628 . 0 0 "[ ]" 1
35 1 16 ARG H 1 17 LYS H 3.200 3.200 8.200 4.492 4.492 4.492 . 0 0 "[ ]" 1
36 1 16 ARG H 1 42 LEU QD 0.000 . 4.800 12.022 12.022 12.022 7.222 1 1 [+] 1
37 1 16 ARG HA 1 17 LYS H 0.000 . 2.700 2.395 2.395 2.395 . 0 0 "[ ]" 1
38 1 17 LYS H 1 17 LYS HA 2.700 2.700 7.700 2.937 2.937 2.937 . 0 0 "[ ]" 1
39 1 17 LYS H 1 18 VAL H 3.200 3.200 8.200 4.639 4.639 4.639 . 0 0 "[ ]" 1
40 1 17 LYS HA 1 18 VAL H 0.000 . 2.700 2.273 2.273 2.273 . 0 0 "[ ]" 1
41 1 17 LYS HA 1 42 LEU H 0.000 . 4.000 21.427 21.427 21.427 17.427 1 1 [+] 1
42 1 17 LYS QB 1 18 VAL H 0.000 . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
43 1 18 VAL H 1 18 VAL HA 2.700 2.700 7.700 2.939 2.939 2.939 . 0 0 "[ ]" 1
44 1 18 VAL H 1 18 VAL HB 0.000 . 3.200 2.602 2.602 2.602 . 0 0 "[ ]" 1
45 1 18 VAL H 1 18 VAL QG 0.000 . 4.000 2.017 2.017 2.017 . 0 0 "[ ]" 1
46 1 18 VAL H 1 19 ASP H 3.200 3.200 8.200 4.570 4.570 4.570 . 0 0 "[ ]" 1
47 1 18 VAL H 1 36 ILE MD 0.000 . 4.800 18.729 18.729 18.729 13.929 1 1 [+] 1
48 1 18 VAL H 1 41 ALA HA 0.000 . 4.000 22.374 22.374 22.374 18.374 1 1 [+] 1
49 1 18 VAL HA 1 19 ASP H 0.000 . 2.700 2.229 2.229 2.229 . 0 0 "[ ]" 1
50 1 18 VAL QG 1 19 ASP H 0.000 . 4.800 2.658 2.658 2.658 . 0 0 "[ ]" 1
51 1 18 VAL QG 1 22 GLY H 0.000 . 4.800 3.116 3.116 3.116 . 0 0 "[ ]" 1
52 1 18 VAL QG 1 37 ALA H 0.000 . 4.800 16.206 16.206 16.206 11.406 1 1 [+] 1
53 1 18 VAL QG 1 39 LYS H 0.000 . 4.800 15.116 15.116 15.116 10.316 1 1 [+] 1
54 1 18 VAL QG 1 40 ASP H 0.000 . 4.800 15.939 15.939 15.939 11.139 1 1 [+] 1
55 1 18 VAL QG 1 41 ALA H 0.000 . 5.800 16.765 16.765 16.765 10.965 1 1 [+] 1
56 1 19 ASP H 1 19 ASP HA 2.700 2.700 7.700 2.941 2.941 2.941 . 0 0 "[ ]" 1
57 1 19 ASP H 1 19 ASP QB 0.000 . 3.200 2.231 2.231 2.231 . 0 0 "[ ]" 1
58 1 19 ASP H 1 20 GLU H 3.200 3.200 8.200 4.530 4.530 4.530 . 0 0 "[ ]" 1
59 1 19 ASP HA 1 20 GLU H 0.000 . 2.700 2.664 2.664 2.664 . 0 0 "[ ]" 1
60 1 19 ASP HA 1 39 LYS H 0.000 . 4.000 19.241 19.241 19.241 15.241 1 1 [+] 1
61 1 19 ASP QB 1 20 GLU H 0.000 . 2.700 2.494 2.494 2.494 . 0 0 "[ ]" 1
62 1 20 GLU H 1 20 GLU HA 2.700 2.700 7.700 2.791 2.791 2.791 . 0 0 "[ ]" 1
63 1 20 GLU H 1 21 LEU H 0.000 . 3.200 2.940 2.940 2.940 . 0 0 "[ ]" 1
64 1 20 GLU HA 1 21 LEU H 3.200 3.200 8.200 3.577 3.577 3.577 . 0 0 "[ ]" 1
65 1 20 GLU QB 1 21 LEU H 0.000 . 4.800 2.539 2.539 2.539 . 0 0 "[ ]" 1
66 1 21 LEU H 1 21 LEU HA 2.700 2.700 7.700 2.918 2.918 2.918 . 0 0 "[ ]" 1
67 1 21 LEU H 1 21 LEU QB 0.000 . 3.200 2.177 2.177 2.177 . 0 0 "[ ]" 1
68 1 21 LEU H 1 22 GLY H 0.000 . 2.700 2.629 2.629 2.629 . 0 0 "[ ]" 1
69 1 21 LEU H 1 23 ARG QD 0.000 . 4.800 5.025 5.025 5.025 0.225 1 0 "[ ]" 1
70 1 21 LEU HA 1 22 GLY H 2.700 2.700 7.700 3.400 3.400 3.400 . 0 0 "[ ]" 1
71 1 21 LEU QB 1 23 ARG H 0.000 . 2.700 3.659 3.659 3.659 0.959 1 1 [+] 1
72 1 21 LEU QD 1 23 ARG H 0.000 . 5.500 4.616 4.616 4.616 . 0 0 "[ ]" 1
73 1 21 LEU QD 1 31 ARG QD 0.000 . 5.800 11.903 11.903 11.903 6.103 1 1 [+] 1
74 1 22 GLY H 1 23 ARG H 0.000 . 2.700 2.501 2.501 2.501 . 0 0 "[ ]" 1
75 1 22 GLY QA 1 26 ILE H 0.000 . 4.000 11.323 11.323 11.323 7.323 1 1 [+] 1
76 1 23 ARG H 1 23 ARG HA 2.700 2.700 7.700 2.995 2.995 2.995 . 0 0 "[ ]" 1
77 1 23 ARG H 1 23 ARG QB 0.000 . 3.200 2.343 2.343 2.343 . 0 0 "[ ]" 1
78 1 23 ARG H 1 23 ARG HE 0.000 . 4.000 3.375 3.375 3.375 . 0 0 "[ ]" 1
79 1 23 ARG H 1 24 VAL H 3.200 3.200 8.200 4.549 4.549 4.549 . 0 0 "[ ]" 1
80 1 23 ARG HA 1 23 ARG QB 0.000 . 2.700 2.408 2.408 2.408 . 0 0 "[ ]" 1
81 1 23 ARG HA 1 24 VAL H 0.000 . 2.700 2.340 2.340 2.340 . 0 0 "[ ]" 1
82 1 23 ARG HA 1 25 VAL HA 0.000 . 2.700 6.960 6.960 6.960 4.260 1 1 [+] 1
83 1 23 ARG HA 1 25 VAL QG 0.000 . 4.800 5.605 5.605 5.605 0.805 1 1 [+] 1
84 1 23 ARG HA 1 26 ILE H 0.000 . 4.000 8.726 8.726 8.726 4.726 1 1 [+] 1
85 1 23 ARG QB 1 24 VAL H 0.000 . 4.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
86 1 23 ARG QB 1 25 VAL HA 0.000 . 4.000 5.430 5.430 5.430 1.430 1 1 [+] 1
87 1 24 VAL H 1 24 VAL HA 2.700 2.700 7.700 3.003 3.003 3.003 . 0 0 "[ ]" 1
88 1 24 VAL H 1 24 VAL HB 3.200 3.200 8.200 3.742 3.742 3.742 . 0 0 "[ ]" 1
89 1 24 VAL H 1 24 VAL MG1 0.000 . 3.500 2.627 2.627 2.627 . 0 0 "[ ]" 1
90 1 24 VAL H 1 24 VAL MG2 0.000 . 3.500 1.994 1.994 1.994 . 0 0 "[ ]" 1
91 1 24 VAL H 1 25 VAL H 3.200 3.200 8.200 4.509 4.509 4.509 . 0 0 "[ ]" 1
92 1 24 VAL H 1 25 VAL HA 0.000 . 4.000 4.860 4.860 4.860 0.860 1 1 [+] 1
93 1 24 VAL HA 1 25 VAL H 0.000 . 2.700 2.341 2.341 2.341 . 0 0 "[ ]" 1
94 1 25 VAL H 1 25 VAL HA 2.700 2.700 7.700 2.991 2.991 2.991 . 0 0 "[ ]" 1
95 1 25 VAL H 1 25 VAL HB 0.000 . 2.700 2.516 2.516 2.516 . 0 0 "[ ]" 1
96 1 25 VAL H 1 25 VAL QG 0.000 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1
97 1 25 VAL HA 1 26 ILE H 0.000 . 2.700 2.225 2.225 2.225 . 0 0 "[ ]" 1
98 1 25 VAL QG 1 26 ILE H 0.000 . 4.000 2.363 2.363 2.363 . 0 0 "[ ]" 1
99 1 26 ILE H 1 26 ILE HA 2.700 2.700 7.700 2.955 2.955 2.955 . 0 0 "[ ]" 1
100 1 26 ILE H 1 26 ILE HB 0.000 . 3.200 2.087 2.087 2.087 . 0 0 "[ ]" 1
101 1 26 ILE H 1 26 ILE HG12 0.000 . 4.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
102 1 26 ILE H 1 26 ILE HG13 0.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1
103 1 26 ILE H 1 27 PRO HD2 3.200 3.200 8.200 4.788 4.788 4.788 . 0 0 "[ ]" 1
104 1 26 ILE H 1 27 PRO HD3 3.200 3.200 8.200 4.964 4.964 4.964 . 0 0 "[ ]" 1
105 1 26 ILE MD 1 27 PRO QD 0.000 . 6.600 3.568 3.568 3.568 . 0 0 "[ ]" 1
106 1 26 ILE MG 1 27 PRO QD 0.000 . 4.300 2.246 2.246 2.246 . 0 0 "[ ]" 1
107 1 26 ILE MG 1 31 ARG H 0.000 . 4.800 2.707 2.707 2.707 . 0 0 "[ ]" 1
108 1 27 PRO HA 1 28 ILE H 0.000 . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1
109 1 27 PRO HA 1 29 GLU H 0.000 . 4.000 4.070 4.070 4.070 0.070 1 0 "[ ]" 1
110 1 27 PRO HB2 1 30 LEU H 0.000 . 3.200 2.890 2.890 2.890 . 0 0 "[ ]" 1
111 1 27 PRO HB3 1 28 ILE H 0.000 . 4.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
112 1 27 PRO HB3 1 30 LEU H 0.000 . 5.000 4.546 4.546 4.546 . 0 0 "[ ]" 1
113 1 28 ILE H 1 28 ILE HA 2.700 2.700 7.700 2.822 2.822 2.822 . 0 0 "[ ]" 1
114 1 28 ILE H 1 28 ILE HB 0.000 . 2.700 2.250 2.250 2.250 . 0 0 "[ ]" 1
115 1 28 ILE H 1 28 ILE MG 0.000 . 3.500 2.262 2.262 2.262 . 0 0 "[ ]" 1
116 1 28 ILE H 1 29 GLU H 2.700 2.700 4.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
117 1 28 ILE HA 1 28 ILE HB 0.000 . 2.700 2.550 2.550 2.550 . 0 0 "[ ]" 1
118 1 28 ILE HA 1 28 ILE MD 0.000 . 4.000 2.082 2.082 2.082 . 0 0 "[ ]" 1
119 1 28 ILE HA 1 28 ILE QG 0.000 . 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
120 1 28 ILE HA 1 29 GLU H 3.200 3.200 8.200 3.538 3.538 3.538 . 0 0 "[ ]" 1
121 1 28 ILE HA 1 30 LEU H 0.000 . 4.000 4.056 4.056 4.056 0.056 1 0 "[ ]" 1
122 1 28 ILE HA 1 31 ARG H 0.000 . 4.000 2.976 2.976 2.976 . 0 0 "[ ]" 1
123 1 28 ILE HA 1 31 ARG HB2 0.000 . 3.200 2.395 2.395 2.395 . 0 0 "[ ]" 1
124 1 28 ILE HA 1 31 ARG HB3 0.000 . 4.000 3.732 3.732 3.732 . 0 0 "[ ]" 1
125 1 28 ILE HA 1 31 ARG QG 0.000 . 4.800 2.145 2.145 2.145 . 0 0 "[ ]" 1
126 1 28 ILE HA 1 32 ARG H 0.000 . 4.000 4.074 4.074 4.074 0.074 1 0 "[ ]" 1
127 1 28 ILE MG 1 29 GLU HA 0.000 . 4.800 3.093 3.093 3.093 . 0 0 "[ ]" 1
128 1 28 ILE MG 1 32 ARG H 0.000 . 4.800 4.878 4.878 4.878 0.078 1 0 "[ ]" 1
129 1 29 GLU H 1 29 GLU HA 2.700 2.700 7.700 2.842 2.842 2.842 . 0 0 "[ ]" 1
130 1 29 GLU H 1 30 LEU H 0.000 . 2.700 2.712 2.712 2.712 0.012 1 0 "[ ]" 1
131 1 29 GLU H 1 31 ARG H 0.000 . 4.000 4.011 4.011 4.011 0.011 1 0 "[ ]" 1
132 1 29 GLU HA 1 30 LEU H 3.200 3.200 8.200 3.539 3.539 3.539 . 0 0 "[ ]" 1
133 1 29 GLU HA 1 32 ARG H 0.000 . 4.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
134 1 29 GLU HA 1 32 ARG QB 0.000 . 4.000 3.396 3.396 3.396 . 0 0 "[ ]" 1
135 1 29 GLU QB 1 30 LEU H 0.000 . 4.000 2.563 2.563 2.563 . 0 0 "[ ]" 1
136 1 29 GLU QG 1 30 LEU H 0.000 . 4.800 3.751 3.751 3.751 . 0 0 "[ ]" 1
137 1 30 LEU H 1 30 LEU HA 2.700 2.700 7.700 2.934 2.934 2.934 . 0 0 "[ ]" 1
138 1 30 LEU H 1 30 LEU HB2 0.000 . 2.700 2.303 2.303 2.303 . 0 0 "[ ]" 1
139 1 30 LEU H 1 30 LEU HB3 0.000 . 3.200 3.546 3.546 3.546 0.346 1 0 "[ ]" 1
140 1 30 LEU H 1 31 ARG H 0.000 . 2.700 2.395 2.395 2.395 . 0 0 "[ ]" 1
141 1 30 LEU H 1 32 ARG H 0.000 . 4.000 4.131 4.131 4.131 0.131 1 0 "[ ]" 1
142 1 30 LEU HA 1 31 ARG H 3.200 3.200 8.200 3.535 3.535 3.535 . 0 0 "[ ]" 1
143 1 30 LEU HA 1 33 THR H 0.000 . 4.000 3.274 3.274 3.274 . 0 0 "[ ]" 1
144 1 30 LEU HB2 1 31 ARG H 0.000 . 4.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
145 1 30 LEU HB3 1 31 ARG H 0.000 . 4.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
146 1 31 ARG H 1 31 ARG HA 2.700 2.700 7.700 2.869 2.869 2.869 . 0 0 "[ ]" 1
147 1 31 ARG H 1 31 ARG HB2 0.000 . 3.200 2.451 2.451 2.451 . 0 0 "[ ]" 1
148 1 31 ARG H 1 31 ARG HB3 0.000 . 4.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
149 1 31 ARG H 1 32 ARG H 0.000 . 2.700 2.691 2.691 2.691 . 0 0 "[ ]" 1
150 1 31 ARG HA 1 31 ARG HB3 0.000 . 2.700 2.501 2.501 2.501 . 0 0 "[ ]" 1
151 1 31 ARG HA 1 32 ARG H 3.200 3.200 8.200 3.560 3.560 3.560 . 0 0 "[ ]" 1
152 1 31 ARG HA 1 34 LEU H 0.000 . 4.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
153 1 31 ARG HA 1 34 LEU QB 0.000 . 3.500 3.182 3.182 3.182 . 0 0 "[ ]" 1
154 1 31 ARG HB2 1 32 ARG H 0.000 . 3.200 2.400 2.400 2.400 . 0 0 "[ ]" 1
155 1 31 ARG HB3 1 32 ARG H 0.000 . 4.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
156 1 32 ARG H 1 32 ARG HA 2.700 2.700 7.700 2.899 2.899 2.899 . 0 0 "[ ]" 1
157 1 32 ARG H 1 32 ARG QB 0.000 . 3.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
158 1 32 ARG H 1 33 THR H 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
159 1 32 ARG HA 1 33 THR H 3.200 3.200 8.200 3.587 3.587 3.587 . 0 0 "[ ]" 1
160 1 32 ARG HA 1 35 GLY H 0.000 . 4.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
161 1 32 ARG QB 1 33 THR H 0.000 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1
162 1 32 ARG QG 1 33 THR H 0.000 . 4.800 3.956 3.956 3.956 . 0 0 "[ ]" 1
163 1 33 THR H 1 33 THR HA 2.700 2.700 7.700 2.855 2.855 2.855 . 0 0 "[ ]" 1
164 1 33 THR H 1 33 THR HB 0.000 . 3.200 2.489 2.489 2.489 . 0 0 "[ ]" 1
165 1 33 THR H 1 33 THR MG 0.000 . 4.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
166 1 33 THR H 1 34 LEU H 0.000 . 2.700 2.715 2.715 2.715 0.015 1 0 "[ ]" 1
167 1 33 THR HA 1 34 LEU H 3.200 3.200 8.200 3.536 3.536 3.536 . 0 0 "[ ]" 1
168 1 33 THR MG 1 34 LEU H 0.000 . 4.800 3.681 3.681 3.681 . 0 0 "[ ]" 1
169 1 34 LEU H 1 34 LEU HA 2.700 2.700 7.700 2.944 2.944 2.944 . 0 0 "[ ]" 1
170 1 34 LEU H 1 34 LEU HB2 0.000 . 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 1
171 1 34 LEU H 1 34 LEU HB3 0.000 . 2.700 2.490 2.490 2.490 . 0 0 "[ ]" 1
172 1 34 LEU H 1 35 GLY H 0.000 . 2.700 2.483 2.483 2.483 . 0 0 "[ ]" 1
173 1 34 LEU HA 1 35 GLY H 3.200 3.200 8.200 3.372 3.372 3.372 . 0 0 "[ ]" 1
174 1 34 LEU QB 1 35 GLY H 0.000 . 4.000 3.244 3.244 3.244 . 0 0 "[ ]" 1
175 1 35 GLY H 1 35 GLY HA2 0.000 . 2.700 2.344 2.344 2.344 . 0 0 "[ ]" 1
176 1 35 GLY H 1 35 GLY HA3 2.700 2.700 7.700 2.867 2.867 2.867 . 0 0 "[ ]" 1
177 1 35 GLY H 1 36 ILE H 0.000 . 2.700 2.698 2.698 2.698 . 0 0 "[ ]" 1
178 1 35 GLY HA2 1 36 ILE H 0.000 . 2.700 2.801 2.801 2.801 0.101 1 0 "[ ]" 1
179 1 35 GLY HA3 1 36 ILE H 2.700 2.700 7.700 3.554 3.554 3.554 . 0 0 "[ ]" 1
180 1 36 ILE H 1 36 ILE HA 2.700 2.700 7.700 3.000 3.000 3.000 . 0 0 "[ ]" 1
181 1 36 ILE H 1 36 ILE HB 0.000 . 2.700 2.495 2.495 2.495 . 0 0 "[ ]" 1
182 1 36 ILE HA 1 37 ALA H 0.000 . 2.700 2.209 2.209 2.209 . 0 0 "[ ]" 1
183 1 36 ILE HB 1 37 ALA H 0.000 . 4.000 4.085 4.085 4.085 0.085 1 0 "[ ]" 1
184 1 36 ILE MD 1 56 TYR H 0.000 . 4.800 4.008 4.008 4.008 . 0 0 "[ ]" 1
185 1 37 ALA H 1 37 ALA HA 2.700 2.700 7.700 2.988 2.988 2.988 . 0 0 "[ ]" 1
186 1 37 ALA H 1 37 ALA MB 0.000 . 3.500 2.529 2.529 2.529 . 0 0 "[ ]" 1
187 1 37 ALA H 1 38 GLU H 3.200 3.200 8.200 4.460 4.460 4.460 . 0 0 "[ ]" 1
188 1 37 ALA H 1 40 ASP QB 0.000 . 3.200 2.413 2.413 2.413 . 0 0 "[ ]" 1
189 1 37 ALA HA 1 38 GLU H 0.000 . 2.700 2.456 2.456 2.456 . 0 0 "[ ]" 1
190 1 37 ALA MB 1 38 GLU H 0.000 . 3.500 2.625 2.625 2.625 . 0 0 "[ ]" 1
191 1 37 ALA MB 1 40 ASP H 0.000 . 4.800 4.055 4.055 4.055 . 0 0 "[ ]" 1
192 1 37 ALA MB 1 40 ASP QB 0.000 . 4.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
193 1 38 GLU H 1 38 GLU HA 2.700 2.700 7.700 2.808 2.808 2.808 . 0 0 "[ ]" 1
194 1 38 GLU H 1 38 GLU HB2 0.000 . 2.700 2.327 2.327 2.327 . 0 0 "[ ]" 1
195 1 38 GLU H 1 38 GLU HB3 0.000 . 2.700 2.552 2.552 2.552 . 0 0 "[ ]" 1
196 1 38 GLU H 1 39 LYS H 3.200 3.200 8.200 4.673 4.673 4.673 . 0 0 "[ ]" 1
197 1 38 GLU HA 1 39 LYS H 0.000 . 2.700 2.267 2.267 2.267 . 0 0 "[ ]" 1
198 1 38 GLU HA 1 40 ASP H 0.000 . 4.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
199 1 39 LYS H 1 39 LYS HA 0.000 . 2.700 2.363 2.363 2.363 . 0 0 "[ ]" 1
200 1 39 LYS H 1 39 LYS HB2 0.000 . 3.200 3.143 3.143 3.143 . 0 0 "[ ]" 1
201 1 39 LYS H 1 39 LYS HB3 0.000 . 4.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
202 1 39 LYS H 1 40 ASP H 0.000 . 3.200 2.794 2.794 2.794 . 0 0 "[ ]" 1
203 1 39 LYS HA 1 40 ASP H 2.700 2.700 7.700 3.382 3.382 3.382 . 0 0 "[ ]" 1
204 1 39 LYS HB2 1 40 ASP H 0.000 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
205 1 39 LYS HB3 1 40 ASP H 0.000 . 3.200 3.414 3.414 3.414 0.214 1 0 "[ ]" 1
206 1 40 ASP H 1 40 ASP QB 0.000 . 3.200 2.194 2.194 2.194 . 0 0 "[ ]" 1
207 1 40 ASP H 1 41 ALA H 3.200 3.200 8.200 4.639 4.639 4.639 . 0 0 "[ ]" 1
208 1 40 ASP HA 1 41 ALA H 2.700 2.700 7.700 2.471 2.471 2.471 0.229 1 0 "[ ]" 1
209 1 40 ASP QB 1 41 ALA H 0.000 . 2.700 2.509 2.509 2.509 . 0 0 "[ ]" 1
210 1 41 ALA H 1 41 ALA MB 0.000 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1
211 1 41 ALA H 1 42 LEU H 3.200 3.200 8.200 4.508 4.508 4.508 . 0 0 "[ ]" 1
212 1 41 ALA HA 1 42 LEU H 2.700 2.700 7.700 2.207 2.207 2.207 0.493 1 0 "[ ]" 1
213 1 41 ALA MB 1 42 LEU H 0.000 . 4.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
214 1 41 ALA MB 1 56 TYR QD 0.000 . 3.500 1.697 1.697 1.697 . 0 0 "[ ]" 1
215 1 41 ALA MB 1 56 TYR QE 0.000 . 4.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
216 1 42 LEU H 1 42 LEU HB2 0.000 . 3.200 2.572 2.572 2.572 . 0 0 "[ ]" 1
217 1 42 LEU H 1 42 LEU HB3 0.000 . 4.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
218 1 42 LEU H 1 43 GLU H 3.200 3.200 8.200 4.527 4.527 4.527 . 0 0 "[ ]" 1
219 1 42 LEU HA 1 43 GLU H 0.000 . 2.700 2.294 2.294 2.294 . 0 0 "[ ]" 1
220 1 42 LEU HA 1 56 TYR H 0.000 . 3.200 3.170 3.170 3.170 . 0 0 "[ ]" 1
221 1 42 LEU HB2 1 43 GLU H 0.000 . 4.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
222 1 42 LEU HB3 1 43 GLU H 0.000 . 4.000 3.202 3.202 3.202 . 0 0 "[ ]" 1
223 1 43 GLU H 1 43 GLU HA 2.700 2.700 7.700 2.998 2.998 2.998 . 0 0 "[ ]" 1
224 1 43 GLU H 1 43 GLU QB 0.000 . 3.200 2.367 2.367 2.367 . 0 0 "[ ]" 1
225 1 43 GLU H 1 44 ILE H 3.200 3.200 8.200 4.477 4.477 4.477 . 0 0 "[ ]" 1
226 1 43 GLU H 1 54 LYS H 0.000 . 3.200 3.272 3.272 3.272 0.072 1 0 "[ ]" 1
227 1 43 GLU H 1 55 LYS HA 0.000 . 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
228 1 43 GLU H 1 56 TYR H 0.000 . 5.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
229 1 43 GLU H 1 56 TYR QB 2.700 2.700 5.000 2.636 2.636 2.636 0.064 1 0 "[ ]" 1
230 1 43 GLU HA 1 44 ILE H 0.000 . 2.700 2.223 2.223 2.223 . 0 0 "[ ]" 1
231 1 43 GLU HA 1 56 TYR QD 0.000 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
232 1 43 GLU QB 1 44 ILE H 0.000 . 4.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
233 1 43 GLU QB 1 45 TYR QE 0.000 . 3.200 2.407 2.407 2.407 . 0 0 "[ ]" 1
234 1 43 GLU QB 1 56 TYR QD 0.000 . 3.200 2.289 2.289 2.289 . 0 0 "[ ]" 1
235 1 43 GLU QB 1 56 TYR QE 0.000 . 4.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
236 1 44 ILE H 1 44 ILE HA 2.700 2.700 7.700 2.982 2.982 2.982 . 0 0 "[ ]" 1
237 1 44 ILE H 1 44 ILE HB 0.000 . 2.700 2.448 2.448 2.448 . 0 0 "[ ]" 1
238 1 44 ILE H 1 45 TYR H 3.200 3.200 8.200 4.471 4.471 4.471 . 0 0 "[ ]" 1
239 1 44 ILE HA 1 45 TYR H 0.000 . 2.700 2.184 2.184 2.184 . 0 0 "[ ]" 1
240 1 44 ILE HA 1 45 TYR HD1 0.000 . 4.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
241 1 44 ILE HA 1 54 LYS H 0.000 . 4.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
242 1 45 TYR H 1 45 TYR HA 2.700 2.700 7.700 2.995 2.995 2.995 . 0 0 "[ ]" 1
243 1 45 TYR H 1 46 VAL H 3.200 3.200 8.200 4.549 4.549 4.549 . 0 0 "[ ]" 1
244 1 45 TYR H 1 52 ILE H 0.000 . 4.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
245 1 45 TYR HA 1 46 VAL H 0.000 . 2.700 2.386 2.386 2.386 . 0 0 "[ ]" 1
246 1 45 TYR QB 1 46 VAL H 0.000 . 3.500 2.741 2.741 2.741 . 0 0 "[ ]" 1
247 1 45 TYR HB2 1 45 TYR HD1 0.000 . 2.700 2.705 2.705 2.705 0.005 1 0 "[ ]" 1
248 1 45 TYR HB3 1 45 TYR HD2 0.000 . 2.700 2.279 2.279 2.279 . 0 0 "[ ]" 1
249 1 45 TYR HD2 1 46 VAL H 0.000 . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1
250 1 45 TYR HD2 1 52 ILE HB 0.000 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1
251 1 45 TYR HD2 1 52 ILE MG 0.000 . 5.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
252 1 45 TYR QE 1 52 ILE HB 0.000 . 5.000 5.584 5.584 5.584 0.584 1 1 [+] 1
253 1 45 TYR QE 1 52 ILE MG 0.000 . 5.000 4.358 4.358 4.358 . 0 0 "[ ]" 1
254 1 45 TYR QE 1 54 LYS QB 0.000 . 5.800 4.429 4.429 4.429 . 0 0 "[ ]" 1
255 1 45 TYR QE 1 54 LYS QD 0.000 . 5.800 2.993 2.993 2.993 . 0 0 "[ ]" 1
256 1 45 TYR QE 1 54 LYS HG2 0.000 . 3.200 2.590 2.590 2.590 . 0 0 "[ ]" 1
257 1 45 TYR QE 1 54 LYS HG3 0.000 . 3.200 3.326 3.326 3.326 0.126 1 0 "[ ]" 1
258 1 46 VAL H 1 46 VAL HA 2.700 2.700 7.700 2.995 2.995 2.995 . 0 0 "[ ]" 1
259 1 46 VAL H 1 46 VAL HB 0.000 . 3.200 2.629 2.629 2.629 . 0 0 "[ ]" 1
260 1 46 VAL H 1 47 ASP H 3.200 3.200 8.200 4.218 4.218 4.218 . 0 0 "[ ]" 1
261 1 46 VAL HA 1 47 ASP H 0.000 . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
262 1 46 VAL HA 1 52 ILE H 0.000 . 4.000 3.352 3.352 3.352 . 0 0 "[ ]" 1
263 1 46 VAL HB 1 47 ASP H 0.000 . 4.000 4.349 4.349 4.349 0.349 1 0 "[ ]" 1
264 1 46 VAL HB 1 47 ASP HA 0.000 . 4.000 4.778 4.778 4.778 0.778 1 1 [+] 1
265 1 46 VAL MG1 1 47 ASP HA 0.000 . 4.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
266 1 46 VAL MG2 1 51 ILE HA 0.000 . 4.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
267 1 47 ASP H 1 47 ASP HA 2.700 2.700 7.700 2.967 2.967 2.967 . 0 0 "[ ]" 1
268 1 47 ASP H 1 48 ASP H 3.200 3.200 8.200 4.354 4.354 4.354 . 0 0 "[ ]" 1
269 1 47 ASP H 1 50 LYS H 0.000 . 4.000 3.141 3.141 3.141 . 0 0 "[ ]" 1
270 1 47 ASP H 1 51 ILE HA 0.000 . 4.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
271 1 47 ASP HA 1 48 ASP H 0.000 . 2.700 2.292 2.292 2.292 . 0 0 "[ ]" 1
272 1 47 ASP QB 1 48 ASP H 0.000 . 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 1
273 1 48 ASP H 1 48 ASP HA 0.000 . 2.700 2.378 2.378 2.378 . 0 0 "[ ]" 1
274 1 48 ASP H 1 48 ASP HB2 0.000 . 3.200 2.874 2.874 2.874 . 0 0 "[ ]" 1
275 1 48 ASP H 1 48 ASP HB3 0.000 . 3.200 3.300 3.300 3.300 0.100 1 0 "[ ]" 1
276 1 48 ASP HA 1 49 GLU H 2.700 2.700 7.700 2.820 2.820 2.820 . 0 0 "[ ]" 1
277 1 48 ASP HB2 1 49 GLU H 0.000 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
278 1 48 ASP HB3 1 49 GLU H 0.000 . 4.000 4.246 4.246 4.246 0.246 1 0 "[ ]" 1
279 1 49 GLU H 1 49 GLU HA 2.700 2.700 7.700 2.362 2.362 2.362 0.338 1 0 "[ ]" 1
280 1 49 GLU H 1 50 LYS H 0.000 . 2.700 2.773 2.773 2.773 0.073 1 0 "[ ]" 1
281 1 49 GLU HA 1 50 LYS H 2.700 2.700 7.700 3.168 3.168 3.168 . 0 0 "[ ]" 1
282 1 50 LYS H 1 50 LYS HA 2.700 2.700 7.700 2.998 2.998 2.998 . 0 0 "[ ]" 1
283 1 50 LYS H 1 51 ILE H 3.200 3.200 8.200 4.493 4.493 4.493 . 0 0 "[ ]" 1
284 1 50 LYS HA 1 51 ILE H 0.000 . 2.700 2.306 2.306 2.306 . 0 0 "[ ]" 1
285 1 51 ILE H 1 51 ILE HA 2.700 2.700 7.700 2.978 2.978 2.978 . 0 0 "[ ]" 1
286 1 51 ILE H 1 51 ILE HB 0.000 . 3.200 2.429 2.429 2.429 . 0 0 "[ ]" 1
287 1 51 ILE H 1 51 ILE MD 0.000 . 4.000 3.366 3.366 3.366 . 0 0 "[ ]" 1
288 1 51 ILE H 1 52 ILE H 3.200 3.200 8.200 4.516 4.516 4.516 . 0 0 "[ ]" 1
289 1 51 ILE HA 1 52 ILE H 0.000 . 2.700 2.220 2.220 2.220 . 0 0 "[ ]" 1
290 1 52 ILE H 1 52 ILE HA 2.700 2.700 7.700 2.996 2.996 2.996 . 0 0 "[ ]" 1
291 1 52 ILE H 1 52 ILE HB 0.000 . 3.200 2.316 2.316 2.316 . 0 0 "[ ]" 1
292 1 52 ILE H 1 52 ILE MD 0.000 . 4.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
293 1 52 ILE H 1 53 LEU H 3.200 3.200 8.200 4.309 4.309 4.309 . 0 0 "[ ]" 1
294 1 52 ILE HA 1 53 LEU H 0.000 . 2.700 2.216 2.216 2.216 . 0 0 "[ ]" 1
295 1 52 ILE MG 1 53 LEU H 0.000 . 4.000 2.911 2.911 2.911 . 0 0 "[ ]" 1
296 1 53 LEU H 1 53 LEU HA 2.700 2.700 7.700 2.996 2.996 2.996 . 0 0 "[ ]" 1
297 1 53 LEU H 1 53 LEU HB2 0.000 . 3.200 2.463 2.463 2.463 . 0 0 "[ ]" 1
298 1 53 LEU H 1 53 LEU HB3 0.000 . 4.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
299 1 53 LEU H 1 54 LYS H 3.200 3.200 8.200 4.479 4.479 4.479 . 0 0 "[ ]" 1
300 1 53 LEU HA 1 54 LYS H 0.000 . 2.700 2.208 2.208 2.208 . 0 0 "[ ]" 1
301 1 53 LEU HB2 1 54 LYS H 0.000 . 4.000 4.145 4.145 4.145 0.145 1 0 "[ ]" 1
302 1 53 LEU HB3 1 54 LYS H 0.000 . 4.000 3.316 3.316 3.316 . 0 0 "[ ]" 1
303 1 53 LEU HG 1 54 LYS H 0.000 . 4.000 4.440 4.440 4.440 0.440 1 0 "[ ]" 1
304 1 54 LYS H 1 54 LYS HA 2.700 2.700 7.700 2.983 2.983 2.983 . 0 0 "[ ]" 1
305 1 54 LYS H 1 55 LYS H 3.200 3.200 8.200 4.464 4.464 4.464 . 0 0 "[ ]" 1
306 1 54 LYS HA 1 55 LYS H 0.000 . 2.700 2.462 2.462 2.462 . 0 0 "[ ]" 1
307 1 54 LYS QB 1 55 LYS H 0.000 . 4.800 2.581 2.581 2.581 . 0 0 "[ ]" 1
308 1 54 LYS QG 1 55 LYS H 0.000 . 4.800 3.409 3.409 3.409 . 0 0 "[ ]" 1
309 1 55 LYS H 1 55 LYS HA 2.700 2.700 7.700 2.836 2.836 2.836 . 0 0 "[ ]" 1
310 1 55 LYS H 1 55 LYS HB2 0.000 . 2.700 2.380 2.380 2.380 . 0 0 "[ ]" 1
311 1 55 LYS H 1 55 LYS HB3 0.000 . 2.700 2.507 2.507 2.507 . 0 0 "[ ]" 1
312 1 55 LYS H 1 56 TYR H 3.200 3.200 8.200 4.672 4.672 4.672 . 0 0 "[ ]" 1
313 1 55 LYS HA 1 56 TYR H 0.000 . 2.700 2.280 2.280 2.280 . 0 0 "[ ]" 1
314 1 55 LYS HB2 1 56 TYR H 0.000 . 4.000 4.126 4.126 4.126 0.126 1 0 "[ ]" 1
315 1 55 LYS HB3 1 56 TYR H 0.000 . 4.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
316 1 56 TYR H 1 56 TYR HA 2.700 2.700 7.700 2.977 2.977 2.977 . 0 0 "[ ]" 1
317 1 56 TYR H 1 56 TYR QB 0.000 . 3.200 2.238 2.238 2.238 . 0 0 "[ ]" 1
318 1 56 TYR H 1 57 LYS H 3.200 3.200 8.200 4.475 4.475 4.475 . 0 0 "[ ]" 1
319 1 56 TYR H 1 58 PRO HD3 2.700 2.700 7.700 5.857 5.857 5.857 . 0 0 "[ ]" 1
320 1 56 TYR HA 1 56 TYR QD 0.000 . 2.700 1.871 1.871 1.871 . 0 0 "[ ]" 1
321 1 56 TYR HA 1 57 LYS H 0.000 . 2.700 2.191 2.191 2.191 . 0 0 "[ ]" 1
322 1 56 TYR QE 1 58 PRO HA 0.000 . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
323 1 57 LYS H 1 57 LYS HA 2.700 2.700 7.700 2.989 2.989 2.989 . 0 0 "[ ]" 1
324 1 58 PRO HA 1 59 ASN H 0.000 . 2.700 2.277 2.277 2.277 . 0 0 "[ ]" 1
325 1 59 ASN H 1 59 ASN HA 2.700 2.700 7.700 3.003 3.003 3.003 . 0 0 "[ ]" 1
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