NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
369153 |
1b9p   |
4481 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b9p
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 318
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 4.356
_Distance_constraint_stats_list.Viol_max 0.965
_Distance_constraint_stats_list.Viol_rms 0.0857
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0137
_Distance_constraint_stats_list.Viol_average_violations_only 0.3111
_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 1 CYS 0.000 0.000 . 0 "[ ]"
1 2 ALA 0.000 0.000 . 0 "[ ]"
1 3 VAL 1.115 0.680 1 1 [+]
1 4 GLU 0.523 0.313 1 0 "[ ]"
1 5 LEU 0.143 0.143 1 0 "[ ]"
1 6 ARG 0.056 0.056 1 0 "[ ]"
1 7 SER 0.785 0.680 1 1 [+]
1 8 PRO 0.105 0.105 1 0 "[ ]"
1 9 GLY 0.000 0.000 . 0 "[ ]"
1 10 ILE 0.965 0.965 1 1 [+]
1 11 SER 0.567 0.567 1 1 [+]
1 12 ARG 0.000 0.000 . 0 "[ ]"
1 13 PHE 0.980 0.965 1 1 [+]
1 14 ARG 0.567 0.567 1 1 [+]
1 15 ARG 0.000 0.000 . 0 "[ ]"
1 16 LYS 0.344 0.328 1 0 "[ ]"
1 17 ILE 0.000 0.000 . 0 "[ ]"
1 18 ALA 0.365 0.365 1 0 "[ ]"
1 19 LYS 0.328 0.328 1 0 "[ ]"
1 20 ARG 0.000 0.000 . 0 "[ ]"
1 21 SER 0.365 0.365 1 0 "[ ]"
1 22 ILE 0.454 0.454 1 0 "[ ]"
1 23 LYS 0.298 0.298 1 0 "[ ]"
1 24 THR 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.454 0.454 1 0 "[ ]"
1 26 GLU 0.298 0.298 1 0 "[ ]"
1 27 HIS 0.000 0.000 . 0 "[ ]"
1 28 LYS 0.000 0.000 . 0 "[ ]"
1 29 ARG 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.000 0.000 . 0 "[ ]"
1 31 ASN 0.000 0.000 . 0 "[ ]"
1 32 ALA 0.000 0.000 . 0 "[ ]"
1 33 LYS 0.000 0.000 . 0 "[ ]"
1 34 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 CYS HA 1 2 ALA H 3.900 . 4.300 2.388 2.388 2.388 . 0 0 "[ ]" 1
2 1 1 CYS QB 1 4 GLU H 5.000 . 6.500 6.013 6.013 6.013 . 0 0 "[ ]" 1
3 1 2 ALA H 1 2 ALA HA 2.800 . 3.100 2.889 2.889 2.889 . 0 0 "[ ]" 1
4 1 2 ALA H 1 2 ALA MB 2.800 . 4.100 2.167 2.167 2.167 . 0 0 "[ ]" 1
5 1 2 ALA H 1 3 VAL H 5.000 . 5.500 4.674 4.674 4.674 . 0 0 "[ ]" 1
6 1 2 ALA HA 1 3 VAL H 2.800 . 3.100 2.300 2.300 2.300 . 0 0 "[ ]" 1
7 1 2 ALA HA 1 5 LEU MD1 5.000 . 6.500 5.708 5.708 5.708 . 0 0 "[ ]" 1
8 1 2 ALA HA 1 5 LEU MD2 3.900 . 5.300 3.950 3.950 3.950 . 0 0 "[ ]" 1
9 1 2 ALA MB 1 3 VAL H 3.900 . 5.300 2.860 2.860 2.860 . 0 0 "[ ]" 1
10 1 2 ALA MB 1 4 GLU H 5.000 . 6.500 3.341 3.341 3.341 . 0 0 "[ ]" 1
11 1 3 VAL H 1 3 VAL HA 2.800 . 3.100 2.990 2.990 2.990 . 0 0 "[ ]" 1
12 1 3 VAL H 1 3 VAL HB 3.900 . 4.300 3.720 3.720 3.720 . 0 0 "[ ]" 1
13 1 3 VAL H 1 3 VAL MG1 3.900 . 5.300 2.846 2.846 2.846 . 0 0 "[ ]" 1
14 1 3 VAL H 1 3 VAL MG2 3.900 . 5.300 2.111 2.111 2.111 . 0 0 "[ ]" 1
15 1 3 VAL H 1 4 GLU H 2.800 . 3.100 3.413 3.413 3.413 0.313 1 0 "[ ]" 1
16 1 3 VAL HA 1 4 GLU H 3.900 . 4.300 2.432 2.432 2.432 . 0 0 "[ ]" 1
17 1 3 VAL HA 1 6 ARG H 5.000 . 5.500 5.556 5.556 5.556 0.056 1 0 "[ ]" 1
18 1 3 VAL HA 1 7 SER H 5.000 . 5.500 6.180 6.180 6.180 0.680 1 1 [+] 1
19 1 3 VAL HB 1 4 GLU H 3.900 . 4.300 4.328 4.328 4.328 0.028 1 0 "[ ]" 1
20 1 3 VAL MG1 1 4 GLU H 3.900 . 5.300 4.247 4.247 4.247 . 0 0 "[ ]" 1
21 1 3 VAL MG2 1 4 GLU H 2.800 . 4.100 4.088 4.088 4.088 . 0 0 "[ ]" 1
22 1 3 VAL MG2 1 4 GLU HA 3.900 . 5.300 5.338 5.338 5.338 0.038 1 0 "[ ]" 1
23 1 4 GLU H 1 4 GLU QG 3.900 . 5.300 2.509 2.509 2.509 . 0 0 "[ ]" 1
24 1 4 GLU H 1 5 LEU H 5.000 . 5.500 2.888 2.888 2.888 . 0 0 "[ ]" 1
25 1 4 GLU HA 1 5 LEU H 2.800 . 3.100 3.243 3.243 3.243 0.143 1 0 "[ ]" 1
26 1 4 GLU HA 1 7 SER H 5.000 . 5.500 5.443 5.443 5.443 . 0 0 "[ ]" 1
27 1 4 GLU HB2 1 5 LEU H 3.900 . 4.300 3.829 3.829 3.829 . 0 0 "[ ]" 1
28 1 4 GLU QG 1 5 LEU H 3.900 . 5.300 4.485 4.485 4.485 . 0 0 "[ ]" 1
29 1 4 GLU QG 1 6 ARG H 5.000 . 6.500 4.850 4.850 4.850 . 0 0 "[ ]" 1
30 1 5 LEU H 1 5 LEU HA 2.800 . 3.100 2.314 2.314 2.314 . 0 0 "[ ]" 1
31 1 5 LEU H 1 5 LEU HB2 3.900 . 4.300 3.034 3.034 3.034 . 0 0 "[ ]" 1
32 1 5 LEU H 1 5 LEU HB3 3.900 . 4.300 4.008 4.008 4.008 . 0 0 "[ ]" 1
33 1 5 LEU H 1 5 LEU HG 5.000 . 5.500 4.675 4.675 4.675 . 0 0 "[ ]" 1
34 1 5 LEU H 1 6 ARG H 5.000 . 5.500 2.824 2.824 2.824 . 0 0 "[ ]" 1
35 1 5 LEU HA 1 5 LEU HB2 2.800 . 3.100 2.887 2.887 2.887 . 0 0 "[ ]" 1
36 1 5 LEU HA 1 5 LEU MD2 3.900 . 5.300 2.056 2.056 2.056 . 0 0 "[ ]" 1
37 1 5 LEU HA 1 6 ARG H 3.900 . 4.300 3.062 3.062 3.062 . 0 0 "[ ]" 1
38 1 5 LEU MD2 1 6 ARG H 5.000 . 6.500 4.459 4.459 4.459 . 0 0 "[ ]" 1
39 1 6 ARG H 1 6 ARG HA 2.800 . 3.100 2.944 2.944 2.944 . 0 0 "[ ]" 1
40 1 6 ARG H 1 6 ARG HB2 3.900 . 4.300 3.072 3.072 3.072 . 0 0 "[ ]" 1
41 1 6 ARG H 1 6 ARG HB3 2.800 . 3.100 3.025 3.025 3.025 . 0 0 "[ ]" 1
42 1 6 ARG H 1 6 ARG HG2 5.000 . 5.500 4.800 4.800 4.800 . 0 0 "[ ]" 1
43 1 6 ARG H 1 6 ARG HG3 5.000 . 5.500 4.667 4.667 4.667 . 0 0 "[ ]" 1
44 1 6 ARG HA 1 6 ARG HG2 3.900 . 4.300 3.141 3.141 3.141 . 0 0 "[ ]" 1
45 1 6 ARG HA 1 7 SER H 3.900 . 4.300 3.584 3.584 3.584 . 0 0 "[ ]" 1
46 1 6 ARG HB2 1 7 SER H 5.000 . 5.500 3.363 3.363 3.363 . 0 0 "[ ]" 1
47 1 6 ARG HB3 1 7 SER H 5.000 . 5.500 1.948 1.948 1.948 . 0 0 "[ ]" 1
48 1 7 SER H 1 7 SER QB 2.800 . 4.100 2.802 2.802 2.802 . 0 0 "[ ]" 1
49 1 7 SER HA 1 8 PRO HB2 5.000 . 5.500 5.605 5.605 5.605 0.105 1 0 "[ ]" 1
50 1 7 SER HA 1 8 PRO HD2 2.800 . 3.100 2.246 2.246 2.246 . 0 0 "[ ]" 1
51 1 7 SER HA 1 8 PRO HD3 2.800 . 3.100 2.592 2.592 2.592 . 0 0 "[ ]" 1
52 1 7 SER QB 1 8 PRO HD2 5.000 . 6.500 4.188 4.188 4.188 . 0 0 "[ ]" 1
53 1 7 SER QB 1 8 PRO HD3 5.000 . 6.500 4.374 4.374 4.374 . 0 0 "[ ]" 1
54 1 8 PRO HA 1 8 PRO HB3 2.800 . 3.100 2.298 2.298 2.298 . 0 0 "[ ]" 1
55 1 8 PRO HA 1 8 PRO QG 2.800 . 4.100 3.513 3.513 3.513 . 0 0 "[ ]" 1
56 1 8 PRO HA 1 9 GLY H 3.900 . 4.300 2.654 2.654 2.654 . 0 0 "[ ]" 1
57 1 8 PRO HA 1 11 SER HB2 5.000 . 5.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
58 1 8 PRO HA 1 11 SER HB3 5.000 . 5.500 3.632 3.632 3.632 . 0 0 "[ ]" 1
59 1 8 PRO HB2 1 9 GLY H 5.000 . 5.500 4.391 4.391 4.391 . 0 0 "[ ]" 1
60 1 9 GLY H 1 10 ILE H 5.000 . 5.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
61 1 9 GLY HA2 1 10 ILE H 3.900 . 4.300 3.551 3.551 3.551 . 0 0 "[ ]" 1
62 1 9 GLY HA3 1 10 ILE H 5.000 . 5.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
63 1 10 ILE H 1 10 ILE HA 2.800 . 3.100 2.914 2.914 2.914 . 0 0 "[ ]" 1
64 1 10 ILE H 1 10 ILE QG 3.900 . 4.300 2.459 2.459 2.459 . 0 0 "[ ]" 1
65 1 10 ILE H 1 10 ILE MG 3.900 . 5.300 3.720 3.720 3.720 . 0 0 "[ ]" 1
66 1 10 ILE H 1 11 SER H 2.800 . 3.100 2.520 2.520 2.520 . 0 0 "[ ]" 1
67 1 10 ILE HA 1 10 ILE MG 2.800 . 4.100 2.461 2.461 2.461 . 0 0 "[ ]" 1
68 1 10 ILE HA 1 13 PHE H 3.900 . 4.300 3.368 3.368 3.368 . 0 0 "[ ]" 1
69 1 10 ILE HA 1 13 PHE QB 2.800 . 4.100 2.113 2.113 2.113 . 0 0 "[ ]" 1
70 1 10 ILE HA 1 13 PHE QD 5.000 . 7.500 3.352 3.352 3.352 . 0 0 "[ ]" 1
71 1 10 ILE HA 1 14 ARG H 5.000 . 5.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
72 1 10 ILE HB 1 10 ILE MD 2.800 . 4.100 2.355 2.355 2.355 . 0 0 "[ ]" 1
73 1 10 ILE MD 1 11 SER HA 5.000 . 6.500 6.040 6.040 6.040 . 0 0 "[ ]" 1
74 1 10 ILE MD 1 11 SER HB2 5.000 . 6.500 6.450 6.450 6.450 . 0 0 "[ ]" 1
75 1 10 ILE MD 1 13 PHE QD 5.000 . 8.500 5.294 5.294 5.294 . 0 0 "[ ]" 1
76 1 10 ILE QG 1 13 PHE QD 5.000 . 7.500 4.130 4.130 4.130 . 0 0 "[ ]" 1
77 1 10 ILE QG 1 13 PHE HZ 5.000 . 5.500 6.465 6.465 6.465 0.965 1 1 [+] 1
78 1 10 ILE MG 1 11 SER H 2.800 . 4.100 3.459 3.459 3.459 . 0 0 "[ ]" 1
79 1 10 ILE MG 1 11 SER HA 3.900 . 5.300 3.614 3.614 3.614 . 0 0 "[ ]" 1
80 1 10 ILE MG 1 11 SER HB2 5.000 . 6.500 5.068 5.068 5.068 . 0 0 "[ ]" 1
81 1 10 ILE MG 1 13 PHE QB 5.000 . 7.500 3.383 3.383 3.383 . 0 0 "[ ]" 1
82 1 10 ILE MG 1 13 PHE QD 5.000 . 8.500 3.035 3.035 3.035 . 0 0 "[ ]" 1
83 1 10 ILE MG 1 13 PHE QE 5.000 . 8.500 4.448 4.448 4.448 . 0 0 "[ ]" 1
84 1 10 ILE MG 1 14 ARG H 5.000 . 6.500 3.356 3.356 3.356 . 0 0 "[ ]" 1
85 1 10 ILE MG 1 14 ARG QD 3.900 . 6.300 2.245 2.245 2.245 . 0 0 "[ ]" 1
86 1 11 SER H 1 11 SER HA 2.800 . 3.100 2.852 2.852 2.852 . 0 0 "[ ]" 1
87 1 11 SER H 1 11 SER HB2 3.900 . 4.300 2.207 2.207 2.207 . 0 0 "[ ]" 1
88 1 11 SER H 1 11 SER HB3 3.900 . 4.300 3.507 3.507 3.507 . 0 0 "[ ]" 1
89 1 11 SER H 1 12 ARG H 2.800 . 3.100 2.858 2.858 2.858 . 0 0 "[ ]" 1
90 1 11 SER HA 1 12 ARG H 5.000 . 5.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
91 1 11 SER HA 1 14 ARG H 2.800 . 3.100 3.667 3.667 3.667 0.567 1 1 [+] 1
92 1 11 SER HA 1 14 ARG QB 3.900 . 5.300 3.979 3.979 3.979 . 0 0 "[ ]" 1
93 1 11 SER HA 1 14 ARG QD 5.000 . 6.500 2.002 2.002 2.002 . 0 0 "[ ]" 1
94 1 11 SER HA 1 15 ARG H 5.000 . 5.500 3.819 3.819 3.819 . 0 0 "[ ]" 1
95 1 11 SER HB2 1 12 ARG H 5.000 . 5.500 2.494 2.494 2.494 . 0 0 "[ ]" 1
96 1 11 SER HB2 1 14 ARG QD 5.000 . 6.500 4.581 4.581 4.581 . 0 0 "[ ]" 1
97 1 11 SER HB3 1 14 ARG QD 3.900 . 5.300 4.418 4.418 4.418 . 0 0 "[ ]" 1
98 1 12 ARG H 1 12 ARG HA 2.800 . 3.100 2.880 2.880 2.880 . 0 0 "[ ]" 1
99 1 12 ARG HA 1 15 ARG H 3.900 . 4.300 3.922 3.922 3.922 . 0 0 "[ ]" 1
100 1 13 PHE H 1 13 PHE HA 2.800 . 3.100 2.963 2.963 2.963 . 0 0 "[ ]" 1
101 1 13 PHE H 1 13 PHE QD 5.000 . 7.500 3.949 3.949 3.949 . 0 0 "[ ]" 1
102 1 13 PHE H 1 14 ARG H 2.800 . 3.100 2.281 2.281 2.281 . 0 0 "[ ]" 1
103 1 13 PHE H 1 15 ARG H 5.000 . 5.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
104 1 13 PHE HA 1 13 PHE QD 3.900 . 6.300 3.058 3.058 3.058 . 0 0 "[ ]" 1
105 1 13 PHE HA 1 14 ARG H 5.000 . 5.500 3.581 3.581 3.581 . 0 0 "[ ]" 1
106 1 13 PHE HA 1 15 ARG H 5.000 . 5.500 4.590 4.590 4.590 . 0 0 "[ ]" 1
107 1 13 PHE HA 1 16 LYS HB2 3.900 . 4.300 4.316 4.316 4.316 0.016 1 0 "[ ]" 1
108 1 13 PHE HA 1 16 LYS HB3 3.900 . 4.300 4.284 4.284 4.284 . 0 0 "[ ]" 1
109 1 13 PHE QB 1 13 PHE QD 2.800 . 6.100 2.147 2.147 2.147 . 0 0 "[ ]" 1
110 1 13 PHE QB 1 14 ARG H 2.800 . 4.100 2.425 2.425 2.425 . 0 0 "[ ]" 1
111 1 13 PHE QD 1 14 ARG HA 5.000 . 7.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
112 1 13 PHE QD 1 14 ARG QB 5.000 . 8.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
113 1 13 PHE QD 1 17 ILE MD 5.000 . 8.500 2.779 2.779 2.779 . 0 0 "[ ]" 1
114 1 13 PHE QE 1 17 ILE MD 3.900 . 7.300 2.491 2.491 2.491 . 0 0 "[ ]" 1
115 1 13 PHE QE 1 17 ILE MG 5.000 . 8.500 4.746 4.746 4.746 . 0 0 "[ ]" 1
116 1 13 PHE HZ 1 17 ILE MD 3.900 . 5.300 3.153 3.153 3.153 . 0 0 "[ ]" 1
117 1 13 PHE HZ 1 17 ILE MG 5.000 . 6.500 5.750 5.750 5.750 . 0 0 "[ ]" 1
118 1 14 ARG H 1 14 ARG HA 2.800 . 3.100 2.892 2.892 2.892 . 0 0 "[ ]" 1
119 1 14 ARG H 1 14 ARG QB 2.800 . 4.100 2.335 2.335 2.335 . 0 0 "[ ]" 1
120 1 14 ARG H 1 15 ARG H 2.800 . 3.100 2.696 2.696 2.696 . 0 0 "[ ]" 1
121 1 14 ARG H 1 16 LYS H 5.000 . 5.500 4.490 4.490 4.490 . 0 0 "[ ]" 1
122 1 14 ARG HA 1 15 ARG H 5.000 . 5.500 3.577 3.577 3.577 . 0 0 "[ ]" 1
123 1 14 ARG HA 1 16 LYS H 5.000 . 5.500 4.298 4.298 4.298 . 0 0 "[ ]" 1
124 1 14 ARG HA 1 17 ILE H 3.900 . 4.300 3.261 3.261 3.261 . 0 0 "[ ]" 1
125 1 14 ARG HA 1 17 ILE HB 2.800 . 3.100 2.367 2.367 2.367 . 0 0 "[ ]" 1
126 1 14 ARG HA 1 17 ILE MD 3.900 . 5.300 2.094 2.094 2.094 . 0 0 "[ ]" 1
127 1 14 ARG HA 1 17 ILE HG12 5.000 . 5.500 4.428 4.428 4.428 . 0 0 "[ ]" 1
128 1 14 ARG HA 1 17 ILE HG13 5.000 . 5.500 3.398 3.398 3.398 . 0 0 "[ ]" 1
129 1 14 ARG HA 1 17 ILE MG 3.900 . 5.300 3.682 3.682 3.682 . 0 0 "[ ]" 1
130 1 14 ARG HA 1 18 ALA H 5.000 . 5.500 4.069 4.069 4.069 . 0 0 "[ ]" 1
131 1 14 ARG QB 1 17 ILE MD 5.000 . 7.500 3.334 3.334 3.334 . 0 0 "[ ]" 1
132 1 15 ARG H 1 15 ARG HA 2.800 . 3.100 2.845 2.845 2.845 . 0 0 "[ ]" 1
133 1 15 ARG H 1 15 ARG HB2 3.900 . 4.300 2.275 2.275 2.275 . 0 0 "[ ]" 1
134 1 15 ARG H 1 15 ARG QD 5.000 . 6.500 4.254 4.254 4.254 . 0 0 "[ ]" 1
135 1 15 ARG H 1 16 LYS H 2.800 . 3.100 2.805 2.805 2.805 . 0 0 "[ ]" 1
136 1 15 ARG H 1 17 ILE H 5.000 . 5.500 4.233 4.233 4.233 . 0 0 "[ ]" 1
137 1 15 ARG HA 1 17 ILE H 5.000 . 5.500 4.546 4.546 4.546 . 0 0 "[ ]" 1
138 1 15 ARG HA 1 18 ALA H 3.900 . 4.300 3.654 3.654 3.654 . 0 0 "[ ]" 1
139 1 15 ARG HA 1 18 ALA MB 2.800 . 4.100 2.873 2.873 2.873 . 0 0 "[ ]" 1
140 1 16 LYS H 1 17 ILE H 2.800 . 3.100 2.610 2.610 2.610 . 0 0 "[ ]" 1
141 1 16 LYS H 1 18 ALA H 5.000 . 5.500 4.189 4.189 4.189 . 0 0 "[ ]" 1
142 1 16 LYS HA 1 17 ILE H 5.000 . 5.500 3.572 3.572 3.572 . 0 0 "[ ]" 1
143 1 16 LYS HA 1 19 LYS H 2.800 . 3.100 3.428 3.428 3.428 0.328 1 0 "[ ]" 1
144 1 16 LYS HA 1 20 ARG H 5.000 . 5.500 4.414 4.414 4.414 . 0 0 "[ ]" 1
145 1 17 ILE H 1 17 ILE HA 2.800 . 3.100 2.850 2.850 2.850 . 0 0 "[ ]" 1
146 1 17 ILE H 1 17 ILE MD 5.000 . 6.500 3.354 3.354 3.354 . 0 0 "[ ]" 1
147 1 17 ILE H 1 17 ILE HG12 3.900 . 4.300 3.607 3.607 3.607 . 0 0 "[ ]" 1
148 1 17 ILE H 1 17 ILE HG13 3.900 . 4.300 2.237 2.237 2.237 . 0 0 "[ ]" 1
149 1 17 ILE H 1 18 ALA H 2.800 . 3.100 2.758 2.758 2.758 . 0 0 "[ ]" 1
150 1 17 ILE H 1 19 LYS H 5.000 . 5.500 4.224 4.224 4.224 . 0 0 "[ ]" 1
151 1 17 ILE HA 1 17 ILE MD 3.900 . 5.300 3.833 3.833 3.833 . 0 0 "[ ]" 1
152 1 17 ILE HA 1 17 ILE HG12 3.900 . 4.300 2.566 2.566 2.566 . 0 0 "[ ]" 1
153 1 17 ILE HA 1 17 ILE HG13 3.900 . 4.300 2.780 2.780 2.780 . 0 0 "[ ]" 1
154 1 17 ILE HA 1 17 ILE MG 2.800 . 4.100 2.455 2.455 2.455 . 0 0 "[ ]" 1
155 1 17 ILE HA 1 18 ALA H 5.000 . 5.500 3.580 3.580 3.580 . 0 0 "[ ]" 1
156 1 17 ILE HA 1 20 ARG H 3.900 . 4.300 3.762 3.762 3.762 . 0 0 "[ ]" 1
157 1 17 ILE HA 1 20 ARG QB 2.800 . 4.100 3.158 3.158 3.158 . 0 0 "[ ]" 1
158 1 17 ILE HA 1 21 SER H 5.000 . 5.500 4.608 4.608 4.608 . 0 0 "[ ]" 1
159 1 17 ILE HB 1 18 ALA H 3.900 . 4.300 2.556 2.556 2.556 . 0 0 "[ ]" 1
160 1 17 ILE MD 1 17 ILE MG 2.800 . 5.100 1.867 1.867 1.867 . 0 0 "[ ]" 1
161 1 17 ILE MG 1 18 ALA H 5.000 . 6.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
162 1 17 ILE MG 1 18 ALA HA 5.000 . 6.500 3.460 3.460 3.460 . 0 0 "[ ]" 1
163 1 18 ALA H 1 18 ALA HA 2.800 . 3.100 2.866 2.866 2.866 . 0 0 "[ ]" 1
164 1 18 ALA H 1 18 ALA MB 2.800 . 4.100 2.175 2.175 2.175 . 0 0 "[ ]" 1
165 1 18 ALA H 1 19 LYS H 2.800 . 3.100 2.721 2.721 2.721 . 0 0 "[ ]" 1
166 1 18 ALA HA 1 20 ARG H 5.000 . 5.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
167 1 18 ALA HA 1 21 SER H 2.800 . 3.100 3.465 3.465 3.465 0.365 1 0 "[ ]" 1
168 1 18 ALA MB 1 19 LYS H 2.800 . 4.100 2.421 2.421 2.421 . 0 0 "[ ]" 1
169 1 18 ALA MB 1 22 ILE MD 5.000 . 7.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
170 1 19 LYS H 1 19 LYS HA 2.800 . 3.100 2.812 2.812 2.812 . 0 0 "[ ]" 1
171 1 19 LYS H 1 19 LYS QB 2.800 . 4.100 2.149 2.149 2.149 . 0 0 "[ ]" 1
172 1 19 LYS H 1 19 LYS HD2 5.000 . 5.500 5.304 5.304 5.304 . 0 0 "[ ]" 1
173 1 19 LYS H 1 19 LYS HD3 5.000 . 5.500 4.410 4.410 4.410 . 0 0 "[ ]" 1
174 1 19 LYS H 1 20 ARG H 2.800 . 3.100 2.883 2.883 2.883 . 0 0 "[ ]" 1
175 1 19 LYS H 1 21 SER H 5.000 . 5.500 4.327 4.327 4.327 . 0 0 "[ ]" 1
176 1 19 LYS HA 1 19 LYS HD2 5.000 . 5.500 4.311 4.311 4.311 . 0 0 "[ ]" 1
177 1 19 LYS HA 1 19 LYS HD3 5.000 . 5.500 4.355 4.355 4.355 . 0 0 "[ ]" 1
178 1 19 LYS HA 1 20 ARG H 5.000 . 5.500 3.576 3.576 3.576 . 0 0 "[ ]" 1
179 1 19 LYS HA 1 22 ILE H 3.900 . 4.300 3.725 3.725 3.725 . 0 0 "[ ]" 1
180 1 19 LYS HA 1 22 ILE HB 2.800 . 3.100 3.051 3.051 3.051 . 0 0 "[ ]" 1
181 1 19 LYS HA 1 22 ILE MD 3.900 . 5.300 2.105 2.105 2.105 . 0 0 "[ ]" 1
182 1 19 LYS HA 1 22 ILE MG 5.000 . 6.500 4.314 4.314 4.314 . 0 0 "[ ]" 1
183 1 20 ARG H 1 20 ARG HA 2.800 . 3.100 2.858 2.858 2.858 . 0 0 "[ ]" 1
184 1 20 ARG H 1 20 ARG QB 2.800 . 4.100 2.154 2.154 2.154 . 0 0 "[ ]" 1
185 1 20 ARG H 1 20 ARG HG2 5.000 . 5.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
186 1 20 ARG H 1 20 ARG HG3 5.000 . 5.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
187 1 20 ARG H 1 21 SER H 2.800 . 3.100 2.760 2.760 2.760 . 0 0 "[ ]" 1
188 1 20 ARG H 1 22 ILE H 5.000 . 5.500 4.253 4.253 4.253 . 0 0 "[ ]" 1
189 1 20 ARG HA 1 21 SER H 5.000 . 5.500 3.582 3.582 3.582 . 0 0 "[ ]" 1
190 1 20 ARG HA 1 23 LYS QG 5.000 . 6.500 4.939 4.939 4.939 . 0 0 "[ ]" 1
191 1 20 ARG HA 1 24 THR H 5.000 . 5.500 4.483 4.483 4.483 . 0 0 "[ ]" 1
192 1 20 ARG QB 1 21 SER H 2.800 . 4.100 2.480 2.480 2.480 . 0 0 "[ ]" 1
193 1 21 SER H 1 21 SER HB3 3.900 . 4.300 2.820 2.820 2.820 . 0 0 "[ ]" 1
194 1 21 SER H 1 22 ILE H 2.800 . 3.100 2.708 2.708 2.708 . 0 0 "[ ]" 1
195 1 21 SER H 1 23 LYS H 5.000 . 5.500 4.555 4.555 4.555 . 0 0 "[ ]" 1
196 1 21 SER HA 1 21 SER HB2 2.800 . 3.100 2.649 2.649 2.649 . 0 0 "[ ]" 1
197 1 21 SER HA 1 22 ILE H 3.900 . 4.300 3.576 3.576 3.576 . 0 0 "[ ]" 1
198 1 21 SER HA 1 24 THR H 5.000 . 5.500 3.887 3.887 3.887 . 0 0 "[ ]" 1
199 1 21 SER HA 1 24 THR HB 5.000 . 5.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
200 1 21 SER HA 1 24 THR MG 5.000 . 6.500 4.334 4.334 4.334 . 0 0 "[ ]" 1
201 1 21 SER HA 1 25 LEU H 5.000 . 5.500 4.463 4.463 4.463 . 0 0 "[ ]" 1
202 1 21 SER HB2 1 22 ILE H 5.000 . 5.500 3.696 3.696 3.696 . 0 0 "[ ]" 1
203 1 21 SER HB3 1 22 ILE H 5.000 . 5.500 2.735 2.735 2.735 . 0 0 "[ ]" 1
204 1 22 ILE H 1 22 ILE MD 5.000 . 6.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
205 1 22 ILE H 1 22 ILE HG12 5.000 . 5.500 3.716 3.716 3.716 . 0 0 "[ ]" 1
206 1 22 ILE H 1 22 ILE HG13 3.900 . 4.300 2.251 2.251 2.251 . 0 0 "[ ]" 1
207 1 22 ILE H 1 23 LYS H 2.800 . 3.100 2.784 2.784 2.784 . 0 0 "[ ]" 1
208 1 22 ILE H 1 24 THR H 5.000 . 5.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
209 1 22 ILE HA 1 22 ILE HG12 3.900 . 4.300 2.822 2.822 2.822 . 0 0 "[ ]" 1
210 1 22 ILE HA 1 22 ILE HG13 3.900 . 4.300 2.650 2.650 2.650 . 0 0 "[ ]" 1
211 1 22 ILE HA 1 22 ILE MG 2.800 . 4.100 2.351 2.351 2.351 . 0 0 "[ ]" 1
212 1 22 ILE HA 1 23 LYS H 3.900 . 4.300 3.595 3.595 3.595 . 0 0 "[ ]" 1
213 1 22 ILE HA 1 25 LEU H 5.000 . 5.500 3.469 3.469 3.469 . 0 0 "[ ]" 1
214 1 22 ILE HA 1 25 LEU HB2 2.800 . 3.100 2.568 2.568 2.568 . 0 0 "[ ]" 1
215 1 22 ILE HA 1 25 LEU HB3 2.800 . 3.100 3.554 3.554 3.554 0.454 1 0 "[ ]" 1
216 1 22 ILE HA 1 25 LEU MD1 5.000 . 6.500 3.420 3.420 3.420 . 0 0 "[ ]" 1
217 1 22 ILE HA 1 25 LEU HG 5.000 . 5.500 5.383 5.383 5.383 . 0 0 "[ ]" 1
218 1 22 ILE HA 1 26 GLU H 5.000 . 5.500 4.188 4.188 4.188 . 0 0 "[ ]" 1
219 1 22 ILE MG 1 26 GLU HG2 5.000 . 6.500 3.727 3.727 3.727 . 0 0 "[ ]" 1
220 1 22 ILE MG 1 26 GLU HG3 5.000 . 6.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
221 1 23 LYS H 1 23 LYS QG 3.900 . 5.300 3.408 3.408 3.408 . 0 0 "[ ]" 1
222 1 23 LYS H 1 24 THR H 2.800 . 3.100 2.926 2.926 2.926 . 0 0 "[ ]" 1
223 1 23 LYS HA 1 23 LYS HB2 2.800 . 3.100 2.818 2.818 2.818 . 0 0 "[ ]" 1
224 1 23 LYS HA 1 23 LYS QD 3.900 . 5.300 3.915 3.915 3.915 . 0 0 "[ ]" 1
225 1 23 LYS HA 1 26 GLU H 5.000 . 5.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
226 1 23 LYS HA 1 26 GLU HB2 3.900 . 4.300 2.998 2.998 2.998 . 0 0 "[ ]" 1
227 1 23 LYS HA 1 26 GLU HB3 3.900 . 4.300 4.598 4.598 4.598 0.298 1 0 "[ ]" 1
228 1 23 LYS HA 1 26 GLU HG2 5.000 . 5.500 5.109 5.109 5.109 . 0 0 "[ ]" 1
229 1 23 LYS HA 1 26 GLU HG3 5.000 . 5.500 4.082 4.082 4.082 . 0 0 "[ ]" 1
230 1 23 LYS HA 1 27 HIS H 5.000 . 5.500 4.145 4.145 4.145 . 0 0 "[ ]" 1
231 1 23 LYS HB2 1 24 THR H 3.900 . 4.300 3.243 3.243 3.243 . 0 0 "[ ]" 1
232 1 23 LYS HB3 1 24 THR H 3.900 . 4.300 2.757 2.757 2.757 . 0 0 "[ ]" 1
233 1 24 THR H 1 24 THR HB 3.900 . 4.300 2.441 2.441 2.441 . 0 0 "[ ]" 1
234 1 24 THR H 1 26 GLU H 5.000 . 5.500 4.342 4.342 4.342 . 0 0 "[ ]" 1
235 1 24 THR HA 1 24 THR MG 2.800 . 4.100 2.418 2.418 2.418 . 0 0 "[ ]" 1
236 1 24 THR HA 1 25 LEU H 3.900 . 4.300 3.553 3.553 3.553 . 0 0 "[ ]" 1
237 1 24 THR HA 1 27 HIS H 5.000 . 5.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
238 1 24 THR HA 1 27 HIS HB2 5.000 . 5.500 3.253 3.253 3.253 . 0 0 "[ ]" 1
239 1 24 THR HA 1 27 HIS HB3 5.000 . 5.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
240 1 24 THR HB 1 25 LEU H 3.900 . 4.300 2.710 2.710 2.710 . 0 0 "[ ]" 1
241 1 24 THR MG 1 25 LEU H 3.900 . 5.300 3.596 3.596 3.596 . 0 0 "[ ]" 1
242 1 24 THR MG 1 28 LYS QE 5.000 . 7.500 3.355 3.355 3.355 . 0 0 "[ ]" 1
243 1 25 LEU H 1 25 LEU HA 2.800 . 3.100 2.881 2.881 2.881 . 0 0 "[ ]" 1
244 1 25 LEU H 1 25 LEU HB2 3.900 . 4.300 2.001 2.001 2.001 . 0 0 "[ ]" 1
245 1 25 LEU H 1 25 LEU HB3 3.900 . 4.300 3.201 3.201 3.201 . 0 0 "[ ]" 1
246 1 25 LEU H 1 25 LEU HG 3.900 . 4.300 4.123 4.123 4.123 . 0 0 "[ ]" 1
247 1 25 LEU H 1 26 GLU H 2.800 . 3.100 2.674 2.674 2.674 . 0 0 "[ ]" 1
248 1 25 LEU H 1 27 HIS H 5.000 . 5.500 4.145 4.145 4.145 . 0 0 "[ ]" 1
249 1 25 LEU HA 1 25 LEU HB3 2.800 . 3.100 2.873 2.873 2.873 . 0 0 "[ ]" 1
250 1 25 LEU HA 1 25 LEU HG 3.900 . 4.300 2.073 2.073 2.073 . 0 0 "[ ]" 1
251 1 25 LEU HA 1 26 GLU H 5.000 . 5.500 3.572 3.572 3.572 . 0 0 "[ ]" 1
252 1 25 LEU HB2 1 25 LEU MD1 2.800 . 4.100 2.133 2.133 2.133 . 0 0 "[ ]" 1
253 1 25 LEU HB2 1 25 LEU MD2 2.800 . 4.100 2.723 2.723 2.723 . 0 0 "[ ]" 1
254 1 25 LEU HB2 1 26 GLU H 5.000 . 5.500 3.094 3.094 3.094 . 0 0 "[ ]" 1
255 1 25 LEU HB3 1 26 GLU H 3.900 . 4.300 2.764 2.764 2.764 . 0 0 "[ ]" 1
256 1 26 GLU H 1 26 GLU HA 2.800 . 3.100 2.876 2.876 2.876 . 0 0 "[ ]" 1
257 1 26 GLU H 1 26 GLU HB2 3.900 . 4.300 2.397 2.397 2.397 . 0 0 "[ ]" 1
258 1 26 GLU H 1 26 GLU HB3 3.900 . 4.300 3.548 3.548 3.548 . 0 0 "[ ]" 1
259 1 26 GLU H 1 26 GLU HG2 5.000 . 5.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
260 1 26 GLU H 1 26 GLU HG3 5.000 . 5.500 2.088 2.088 2.088 . 0 0 "[ ]" 1
261 1 26 GLU H 1 27 HIS H 3.900 . 4.300 2.691 2.691 2.691 . 0 0 "[ ]" 1
262 1 26 GLU H 1 28 LYS H 5.000 . 5.500 4.086 4.086 4.086 . 0 0 "[ ]" 1
263 1 26 GLU HA 1 27 HIS H 3.900 . 4.300 3.569 3.569 3.569 . 0 0 "[ ]" 1
264 1 26 GLU HA 1 28 LYS H 5.000 . 5.500 3.942 3.942 3.942 . 0 0 "[ ]" 1
265 1 26 GLU HA 1 29 ARG H 5.000 . 5.500 3.241 3.241 3.241 . 0 0 "[ ]" 1
266 1 26 GLU HA 1 29 ARG HG2 5.000 . 5.500 5.376 5.376 5.376 . 0 0 "[ ]" 1
267 1 26 GLU HA 1 30 GLU H 5.000 . 5.500 3.132 3.132 3.132 . 0 0 "[ ]" 1
268 1 26 GLU HB2 1 27 HIS H 5.000 . 5.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
269 1 26 GLU HB3 1 27 HIS H 3.900 . 4.300 3.599 3.599 3.599 . 0 0 "[ ]" 1
270 1 27 HIS H 1 27 HIS HB2 3.900 . 4.300 2.177 2.177 2.177 . 0 0 "[ ]" 1
271 1 27 HIS H 1 27 HIS HB3 3.900 . 4.300 2.753 2.753 2.753 . 0 0 "[ ]" 1
272 1 27 HIS H 1 28 LYS H 3.900 . 4.300 2.791 2.791 2.791 . 0 0 "[ ]" 1
273 1 27 HIS HA 1 28 LYS H 5.000 . 5.500 3.516 3.516 3.516 . 0 0 "[ ]" 1
274 1 27 HIS HA 1 30 GLU H 5.000 . 5.500 4.733 4.733 4.733 . 0 0 "[ ]" 1
275 1 27 HIS HA 1 30 GLU QB 3.900 . 5.300 4.082 4.082 4.082 . 0 0 "[ ]" 1
276 1 27 HIS HA 1 30 GLU QG 5.000 . 6.500 5.899 5.899 5.899 . 0 0 "[ ]" 1
277 1 27 HIS HB2 1 28 LYS H 5.000 . 5.500 3.969 3.969 3.969 . 0 0 "[ ]" 1
278 1 27 HIS HB3 1 28 LYS H 5.000 . 5.500 3.101 3.101 3.101 . 0 0 "[ ]" 1
279 1 28 LYS H 1 28 LYS HA 2.800 . 3.100 2.969 2.969 2.969 . 0 0 "[ ]" 1
280 1 28 LYS H 1 28 LYS QB 2.800 . 4.100 2.299 2.299 2.299 . 0 0 "[ ]" 1
281 1 28 LYS H 1 28 LYS HD2 5.000 . 5.500 5.447 5.447 5.447 . 0 0 "[ ]" 1
282 1 28 LYS H 1 28 LYS HD3 5.000 . 5.500 5.085 5.085 5.085 . 0 0 "[ ]" 1
283 1 28 LYS HA 1 31 ASN H 5.000 . 5.500 4.327 4.327 4.327 . 0 0 "[ ]" 1
284 1 28 LYS HA 1 31 ASN HB2 5.000 . 5.500 4.196 4.196 4.196 . 0 0 "[ ]" 1
285 1 28 LYS HA 1 31 ASN HB3 5.000 . 5.500 3.327 3.327 3.327 . 0 0 "[ ]" 1
286 1 29 ARG H 1 29 ARG HA 2.800 . 3.100 2.942 2.942 2.942 . 0 0 "[ ]" 1
287 1 29 ARG H 1 29 ARG HB2 3.900 . 4.300 2.192 2.192 2.192 . 0 0 "[ ]" 1
288 1 29 ARG H 1 29 ARG HB3 3.900 . 4.300 3.511 3.511 3.511 . 0 0 "[ ]" 1
289 1 29 ARG H 1 29 ARG HG2 5.000 . 5.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
290 1 29 ARG H 1 29 ARG HG3 5.000 . 5.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
291 1 29 ARG H 1 30 GLU H 2.800 . 3.100 2.710 2.710 2.710 . 0 0 "[ ]" 1
292 1 29 ARG H 1 31 ASN H 5.000 . 5.500 3.880 3.880 3.880 . 0 0 "[ ]" 1
293 1 29 ARG HA 1 30 GLU H 5.000 . 5.500 3.604 3.604 3.604 . 0 0 "[ ]" 1
294 1 29 ARG HA 1 32 ALA H 5.000 . 5.500 3.854 3.854 3.854 . 0 0 "[ ]" 1
295 1 29 ARG HA 1 32 ALA MB 2.800 . 4.100 2.971 2.971 2.971 . 0 0 "[ ]" 1
296 1 30 GLU H 1 30 GLU HA 2.800 . 3.100 2.855 2.855 2.855 . 0 0 "[ ]" 1
297 1 30 GLU H 1 30 GLU QB 2.800 . 4.100 2.045 2.045 2.045 . 0 0 "[ ]" 1
298 1 30 GLU H 1 30 GLU QG 3.900 . 5.300 3.050 3.050 3.050 . 0 0 "[ ]" 1
299 1 30 GLU H 1 31 ASN H 2.800 . 3.100 2.790 2.790 2.790 . 0 0 "[ ]" 1
300 1 30 GLU H 1 32 ALA H 5.000 . 5.500 4.150 4.150 4.150 . 0 0 "[ ]" 1
301 1 30 GLU HA 1 31 ASN H 3.900 . 4.300 3.566 3.566 3.566 . 0 0 "[ ]" 1
302 1 30 GLU QB 1 31 ASN H 3.900 . 5.300 2.628 2.628 2.628 . 0 0 "[ ]" 1
303 1 31 ASN H 1 31 ASN HB2 3.900 . 4.300 2.142 2.142 2.142 . 0 0 "[ ]" 1
304 1 31 ASN H 1 32 ALA H 2.800 . 3.100 2.793 2.793 2.793 . 0 0 "[ ]" 1
305 1 31 ASN HB2 1 32 ALA H 5.000 . 5.500 4.009 4.009 4.009 . 0 0 "[ ]" 1
306 1 31 ASN HB3 1 32 ALA H 5.000 . 5.500 3.287 3.287 3.287 . 0 0 "[ ]" 1
307 1 32 ALA H 1 32 ALA MB 2.800 . 4.100 2.085 2.085 2.085 . 0 0 "[ ]" 1
308 1 32 ALA HA 1 33 LYS H 3.900 . 4.300 2.396 2.396 2.396 . 0 0 "[ ]" 1
309 1 32 ALA MB 1 33 LYS H 2.800 . 4.100 2.554 2.554 2.554 . 0 0 "[ ]" 1
310 1 33 LYS H 1 33 LYS HA 2.800 . 3.100 2.864 2.864 2.864 . 0 0 "[ ]" 1
311 1 33 LYS H 1 33 LYS QB 2.800 . 4.100 2.011 2.011 2.011 . 0 0 "[ ]" 1
312 1 33 LYS H 1 33 LYS HG3 5.000 . 5.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
313 1 33 LYS H 1 34 GLU H 5.000 . 5.500 2.811 2.811 2.811 . 0 0 "[ ]" 1
314 1 33 LYS QB 1 34 GLU H 3.900 . 5.300 2.504 2.504 2.504 . 0 0 "[ ]" 1
315 1 33 LYS QG 1 34 GLU H 5.000 . 6.500 4.317 4.317 4.317 . 0 0 "[ ]" 1
316 1 34 GLU H 1 34 GLU HA 2.800 . 3.100 2.999 2.999 2.999 . 0 0 "[ ]" 1
317 1 34 GLU HA 1 34 GLU HB2 2.800 . 3.100 3.020 3.020 3.020 . 0 0 "[ ]" 1
318 1 34 GLU HA 1 34 GLU HB3 2.800 . 3.100 2.595 2.595 2.595 . 0 0 "[ ]" 1
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