NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
392962 |
1qbf   |
4842 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qbf
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 400
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 14.328
_Distance_constraint_stats_list.Viol_max 2.933
_Distance_constraint_stats_list.Viol_rms 0.2023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0358
_Distance_constraint_stats_list.Viol_average_violations_only 0.2311
_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 TYR 0.000 0.000 . 0 "[ ]"
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 ALA 0.343 0.207 1 0 "[ ]"
1 4 LYS 0.137 0.137 1 0 "[ ]"
1 5 PRO 0.000 0.000 . 0 "[ ]"
1 6 GLU 0.311 0.195 1 0 "[ ]"
1 7 ALA 0.516 0.298 1 0 "[ ]"
1 8 PRO 0.169 0.169 1 0 "[ ]"
1 9 GLY 0.315 0.217 1 0 "[ ]"
1 10 GLU 0.384 0.212 1 0 "[ ]"
1 11 ASP 0.196 0.109 1 0 "[ ]"
1 12 ALA 0.390 0.262 1 0 "[ ]"
1 13 SER 0.019 0.019 1 0 "[ ]"
1 14 PRO 0.000 0.000 . 0 "[ ]"
1 15 GLU 0.517 0.279 1 0 "[ ]"
1 16 GLU 0.547 0.279 1 0 "[ ]"
1 17 LEU 1.318 0.306 1 0 "[ ]"
1 18 SER 1.425 0.276 1 0 "[ ]"
1 19 ARG 0.411 0.275 1 0 "[ ]"
1 20 TYR 1.149 0.342 1 0 "[ ]"
1 21 TYR 1.625 0.342 1 0 "[ ]"
1 22 ALA 0.462 0.234 1 0 "[ ]"
1 23 SER 0.177 0.122 1 0 "[ ]"
1 24 LEU 0.000 0.000 . 0 "[ ]"
1 25 ARG 1.009 0.445 1 0 "[ ]"
1 26 HIS 0.587 0.445 1 0 "[ ]"
1 27 TYR 0.082 0.044 1 0 "[ ]"
1 28 LEU 0.467 0.201 1 0 "[ ]"
1 29 ASN 3.707 2.933 1 1 [+]
1 30 LEU 2.937 2.508 1 1 [+]
1 31 VAL 0.511 0.212 1 0 "[ ]"
1 32 THR 0.074 0.062 1 0 "[ ]"
1 33 ARG 2.933 2.933 1 1 [+]
1 34 GLN 2.688 2.508 1 1 [+]
1 35 ARG 0.000 0.000 . 0 "[ ]"
1 36 TYR 0.101 0.101 1 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 TYR CG 1 2 PRO QD 2.500 . 5.700 3.592 3.592 3.592 . 0 0 "[ ]" 1
2 1 1 TYR CZ 1 2 PRO QD 4.000 . 8.000 4.742 4.742 4.742 . 0 0 "[ ]" 1
3 1 1 TYR CZ 1 31 VAL HA 4.000 . 7.000 4.966 4.966 4.966 . 0 0 "[ ]" 1
4 1 1 TYR HA 1 1 TYR QB 2.500 . 3.700 2.522 2.522 2.522 . 0 0 "[ ]" 1
5 1 1 TYR HA 1 1 TYR QD 2.500 . 3.700 2.933 2.933 2.933 . 0 0 "[ ]" 1
6 1 1 TYR HA 1 2 PRO QD 2.500 . 3.700 1.860 1.860 1.860 . 0 0 "[ ]" 1
7 1 1 TYR HA 1 28 LEU QD 4.000 . 8.400 6.220 6.220 6.220 . 0 0 "[ ]" 1
8 1 1 TYR HA 1 30 LEU QD 4.000 . 7.900 5.870 5.870 5.870 . 0 0 "[ ]" 1
9 1 1 TYR QB 1 2 PRO QD 4.000 . 7.000 3.644 3.644 3.644 . 0 0 "[ ]" 1
10 1 2 PRO HA 1 3 ALA H 3.000 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
11 1 2 PRO QD 1 28 LEU QD 4.000 . 8.400 5.719 5.719 5.719 . 0 0 "[ ]" 1
12 1 2 PRO QD 1 30 LEU QD 4.000 . 8.400 5.450 5.450 5.450 . 0 0 "[ ]" 1
13 1 2 PRO QD 1 31 VAL QG 3.000 . 6.900 3.885 3.885 3.885 . 0 0 "[ ]" 1
14 1 3 ALA H 1 3 ALA HA 2.500 . 2.700 2.907 2.907 2.907 0.207 1 0 "[ ]" 1
15 1 3 ALA H 1 3 ALA MB 2.500 . 3.300 2.135 2.135 2.135 . 0 0 "[ ]" 1
16 1 3 ALA H 1 27 TYR CG 4.000 . 7.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
17 1 3 ALA HA 1 26 HIS QB 4.000 . 6.000 5.091 5.091 5.091 . 0 0 "[ ]" 1
18 1 3 ALA HA 1 27 TYR QB 4.000 . 6.000 3.425 3.425 3.425 . 0 0 "[ ]" 1
19 1 3 ALA HA 1 30 LEU QD 4.000 . 7.400 3.790 3.790 3.790 . 0 0 "[ ]" 1
20 1 3 ALA MB 1 4 LYS H 2.500 . 3.700 1.663 1.663 1.663 0.137 1 0 "[ ]" 1
21 1 3 ALA MB 1 4 LYS HA 3.000 . 4.500 3.510 3.510 3.510 . 0 0 "[ ]" 1
22 1 3 ALA MB 1 27 TYR CZ 3.000 . 6.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
23 1 3 ALA MB 1 28 LEU H 4.000 . 6.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
24 1 4 LYS H 1 4 LYS HA 3.000 . 3.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
25 1 4 LYS H 1 4 LYS QB 3.000 . 4.100 3.496 3.496 3.496 . 0 0 "[ ]" 1
26 1 4 LYS H 1 4 LYS QG 3.000 . 4.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
27 1 4 LYS QG 1 27 TYR CZ 2.500 . 5.700 5.399 5.399 5.399 . 0 0 "[ ]" 1
28 1 5 PRO HA 1 6 GLU H 2.500 . 2.700 2.272 2.272 2.272 . 0 0 "[ ]" 1
29 1 5 PRO QB 1 20 TYR CZ 3.000 . 6.500 5.508 5.508 5.508 . 0 0 "[ ]" 1
30 1 5 PRO QB 1 26 HIS HE1 4.000 . 6.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
31 1 5 PRO QB 1 30 LEU QD 4.000 . 8.400 2.219 2.219 2.219 . 0 0 "[ ]" 1
32 1 5 PRO QD 1 6 GLU HA 4.000 . 6.000 5.373 5.373 5.373 . 0 0 "[ ]" 1
33 1 5 PRO QD 1 26 HIS QB 3.000 . 6.200 3.974 3.974 3.974 . 0 0 "[ ]" 1
34 1 5 PRO QD 1 27 TYR CG 3.000 . 6.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
35 1 5 PRO QD 1 27 TYR CZ 2.500 . 5.700 5.375 5.375 5.375 . 0 0 "[ ]" 1
36 1 5 PRO QG 1 20 TYR CZ 3.000 . 6.500 5.067 5.067 5.067 . 0 0 "[ ]" 1
37 1 6 GLU H 1 6 GLU HA 2.500 . 2.700 2.793 2.793 2.793 0.093 1 0 "[ ]" 1
38 1 6 GLU H 1 6 GLU QB 2.500 . 3.300 2.403 2.403 2.403 . 0 0 "[ ]" 1
39 1 6 GLU H 1 6 GLU QG 2.500 . 3.700 2.312 2.312 2.312 . 0 0 "[ ]" 1
40 1 6 GLU H 1 7 ALA H 2.500 . 2.700 2.723 2.723 2.723 0.023 1 0 "[ ]" 1
41 1 6 GLU HA 1 6 GLU QB 2.500 . 3.700 2.202 2.202 2.202 . 0 0 "[ ]" 1
42 1 6 GLU HA 1 6 GLU QG 2.500 . 3.700 3.293 3.293 3.293 . 0 0 "[ ]" 1
43 1 6 GLU HA 1 7 ALA H 3.000 . 3.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
44 1 6 GLU HA 1 7 ALA HA 4.000 . 5.000 5.195 5.195 5.195 0.195 1 0 "[ ]" 1
45 1 6 GLU HA 1 7 ALA MB 3.000 . 4.500 3.763 3.763 3.763 . 0 0 "[ ]" 1
46 1 6 GLU QG 1 7 ALA H 2.500 . 3.700 2.342 2.342 2.342 . 0 0 "[ ]" 1
47 1 6 GLU QG 1 26 HIS HE1 4.000 . 7.000 6.295 6.295 6.295 . 0 0 "[ ]" 1
48 1 7 ALA H 1 7 ALA MB 2.500 . 3.300 2.819 2.819 2.819 . 0 0 "[ ]" 1
49 1 7 ALA HA 1 8 PRO QB 4.000 . 6.000 4.518 4.518 4.518 . 0 0 "[ ]" 1
50 1 7 ALA HA 1 8 PRO QD 3.000 . 4.500 1.811 1.811 1.811 . 0 0 "[ ]" 1
51 1 7 ALA HA 1 20 TYR CZ 2.500 . 4.700 4.998 4.998 4.998 0.298 1 0 "[ ]" 1
52 1 7 ALA MB 1 20 TYR CZ 2.500 . 5.700 2.184 2.184 2.184 . 0 0 "[ ]" 1
53 1 7 ALA MB 1 24 LEU H 4.000 . 6.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
54 1 7 ALA MB 1 26 HIS HD2 4.000 . 6.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
55 1 8 PRO HA 1 20 TYR CZ 4.000 . 7.000 7.169 7.169 7.169 0.169 1 0 "[ ]" 1
56 1 8 PRO QB 1 9 GLY H 2.500 . 3.700 1.832 1.832 1.832 . 0 0 "[ ]" 1
57 1 8 PRO QD 1 20 TYR CG 2.500 . 5.700 4.665 4.665 4.665 . 0 0 "[ ]" 1
58 1 8 PRO QD 1 20 TYR CZ 4.000 . 8.000 5.381 5.381 5.381 . 0 0 "[ ]" 1
59 1 8 PRO QG 1 20 TYR CZ 4.000 . 8.000 7.210 7.210 7.210 . 0 0 "[ ]" 1
60 1 9 GLY H 1 9 GLY HA2 2.500 . 2.700 2.355 2.355 2.355 . 0 0 "[ ]" 1
61 1 9 GLY H 1 9 GLY HA3 2.500 . 2.700 2.917 2.917 2.917 0.217 1 0 "[ ]" 1
62 1 9 GLY H 1 10 GLU H 4.000 . 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
63 1 9 GLY H 1 10 GLU QG 3.000 . 4.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
64 1 9 GLY QA 1 11 ASP H 3.000 . 4.500 3.638 3.638 3.638 . 0 0 "[ ]" 1
65 1 9 GLY QA 1 15 GLU HA 4.000 . 6.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
66 1 9 GLY HA2 1 10 GLU H 2.500 . 2.700 2.510 2.510 2.510 . 0 0 "[ ]" 1
67 1 9 GLY HA3 1 10 GLU H 2.500 . 2.700 2.798 2.798 2.798 0.098 1 0 "[ ]" 1
68 1 10 GLU H 1 10 GLU HA 2.500 . 2.700 2.774 2.774 2.774 0.074 1 0 "[ ]" 1
69 1 10 GLU H 1 10 GLU QB 3.000 . 4.100 3.508 3.508 3.508 . 0 0 "[ ]" 1
70 1 10 GLU H 1 10 GLU QG 2.500 . 3.700 2.618 2.618 2.618 . 0 0 "[ ]" 1
71 1 10 GLU H 1 12 ALA MB 4.000 . 6.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
72 1 10 GLU H 1 17 LEU H 4.000 . 5.000 5.212 5.212 5.212 0.212 1 0 "[ ]" 1
73 1 10 GLU HA 1 10 GLU QG 2.500 . 3.700 3.254 3.254 3.254 . 0 0 "[ ]" 1
74 1 10 GLU HA 1 11 ASP H 3.000 . 3.500 3.473 3.473 3.473 . 0 0 "[ ]" 1
75 1 10 GLU HA 1 11 ASP QB 4.000 . 6.000 5.110 5.110 5.110 . 0 0 "[ ]" 1
76 1 10 GLU HA 1 16 GLU H 4.000 . 5.500 4.968 4.968 4.968 . 0 0 "[ ]" 1
77 1 10 GLU QB 1 11 ASP H 4.000 . 6.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
78 1 10 GLU QG 1 11 ASP H 3.000 . 4.500 2.283 2.283 2.283 . 0 0 "[ ]" 1
79 1 11 ASP H 1 11 ASP HA 2.500 . 2.700 2.786 2.786 2.786 0.086 1 0 "[ ]" 1
80 1 11 ASP H 1 11 ASP QB 2.500 . 3.700 2.112 2.112 2.112 . 0 0 "[ ]" 1
81 1 11 ASP H 1 12 ALA H 2.500 . 2.700 2.809 2.809 2.809 0.109 1 0 "[ ]" 1
82 1 11 ASP QB 1 12 ALA H 3.000 . 4.500 2.617 2.617 2.617 . 0 0 "[ ]" 1
83 1 12 ALA H 1 12 ALA HA 2.500 . 2.700 2.962 2.962 2.962 0.262 1 0 "[ ]" 1
84 1 12 ALA H 1 13 SER H 2.500 . 2.700 1.989 1.989 1.989 . 0 0 "[ ]" 1
85 1 12 ALA HA 1 13 SER H 3.000 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
86 1 12 ALA MB 1 13 SER H 2.500 . 3.700 2.266 2.266 2.266 . 0 0 "[ ]" 1
87 1 12 ALA MB 1 15 GLU QB 4.000 . 6.000 4.541 4.541 4.541 . 0 0 "[ ]" 1
88 1 12 ALA MB 1 15 GLU QG 4.000 . 6.500 2.650 2.650 2.650 . 0 0 "[ ]" 1
89 1 12 ALA MB 1 16 GLU H 4.000 . 6.000 2.466 2.466 2.466 . 0 0 "[ ]" 1
90 1 12 ALA MB 1 16 GLU QB 4.000 . 6.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
91 1 12 ALA MB 1 17 LEU QD 4.000 . 8.400 4.089 4.089 4.089 . 0 0 "[ ]" 1
92 1 13 SER H 1 13 SER QB 2.500 . 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 1
93 1 13 SER H 1 16 GLU H 2.500 . 2.700 2.016 2.016 2.016 . 0 0 "[ ]" 1
94 1 13 SER H 1 16 GLU QB 2.500 . 3.700 3.181 3.181 3.181 . 0 0 "[ ]" 1
95 1 13 SER H 1 16 GLU QG 2.500 . 3.700 3.345 3.345 3.345 . 0 0 "[ ]" 1
96 1 13 SER QB 1 14 PRO HA 4.000 . 5.200 4.335 4.335 4.335 . 0 0 "[ ]" 1
97 1 14 PRO HA 1 15 GLU H 3.000 . 3.500 3.261 3.261 3.261 . 0 0 "[ ]" 1
98 1 15 GLU H 1 15 GLU HA 2.500 . 2.700 2.938 2.938 2.938 0.238 1 0 "[ ]" 1
99 1 15 GLU H 1 15 GLU QB 2.500 . 3.300 2.860 2.860 2.860 . 0 0 "[ ]" 1
100 1 15 GLU H 1 15 GLU QG 3.000 . 4.500 2.127 2.127 2.127 . 0 0 "[ ]" 1
101 1 15 GLU H 1 16 GLU H 2.500 . 2.700 1.915 1.915 1.915 . 0 0 "[ ]" 1
102 1 15 GLU HA 1 15 GLU QB 2.500 . 3.700 2.168 2.168 2.168 . 0 0 "[ ]" 1
103 1 15 GLU HA 1 15 GLU QG 2.500 . 3.700 3.290 3.290 3.290 . 0 0 "[ ]" 1
104 1 15 GLU HA 1 16 GLU HA 4.000 . 5.000 5.279 5.279 5.279 0.279 1 0 "[ ]" 1
105 1 15 GLU HA 1 17 LEU QD 2.500 . 5.100 3.771 3.771 3.771 . 0 0 "[ ]" 1
106 1 15 GLU QB 1 16 GLU H 3.000 . 4.500 3.381 3.381 3.381 . 0 0 "[ ]" 1
107 1 15 GLU QB 1 17 LEU QD 4.000 . 6.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
108 1 15 GLU QG 1 16 GLU HA 3.000 . 4.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
109 1 15 GLU QG 1 17 LEU QD 4.000 . 6.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
110 1 15 GLU QG 1 18 SER HA 3.000 . 4.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
111 1 15 GLU QG 1 19 ARG H 4.000 . 6.500 3.205 3.205 3.205 . 0 0 "[ ]" 1
112 1 16 GLU H 1 16 GLU HA 2.500 . 2.700 2.259 2.259 2.259 . 0 0 "[ ]" 1
113 1 16 GLU H 1 16 GLU QB 2.500 . 3.700 3.284 3.284 3.284 . 0 0 "[ ]" 1
114 1 16 GLU H 1 16 GLU QG 2.500 . 3.700 2.746 2.746 2.746 . 0 0 "[ ]" 1
115 1 16 GLU H 1 17 LEU H 3.000 . 3.500 3.769 3.769 3.769 0.269 1 0 "[ ]" 1
116 1 16 GLU H 1 17 LEU QD 4.000 3.300 7.400 4.061 4.061 4.061 . 0 0 "[ ]" 1
117 1 16 GLU HA 1 16 GLU QB 2.500 . 3.700 2.132 2.132 2.132 . 0 0 "[ ]" 1
118 1 16 GLU HA 1 16 GLU QG 2.500 . 3.700 3.126 3.126 3.126 . 0 0 "[ ]" 1
119 1 16 GLU QB 1 20 TYR H 4.000 . 6.400 3.473 3.473 3.473 . 0 0 "[ ]" 1
120 1 16 GLU QB 1 17 LEU H 2.500 . 3.700 2.624 2.624 2.624 . 0 0 "[ ]" 1
121 1 16 GLU QG 1 17 LEU H 2.500 . 3.700 2.205 2.205 2.205 . 0 0 "[ ]" 1
122 1 17 LEU H 1 17 LEU HA 2.500 . 2.700 2.948 2.948 2.948 0.248 1 0 "[ ]" 1
123 1 17 LEU H 1 17 LEU QB 2.500 . 3.700 3.103 3.103 3.103 . 0 0 "[ ]" 1
124 1 17 LEU H 1 17 LEU MD1 2.500 . 3.700 1.745 1.745 1.745 0.055 1 0 "[ ]" 1
125 1 17 LEU H 1 17 LEU MD2 2.500 . 3.700 1.779 1.779 1.779 0.021 1 0 "[ ]" 1
126 1 17 LEU H 1 17 LEU HG 2.500 . 3.700 3.656 3.656 3.656 . 0 0 "[ ]" 1
127 1 17 LEU H 1 18 SER H 4.000 . 5.000 3.102 3.102 3.102 . 0 0 "[ ]" 1
128 1 17 LEU H 1 18 SER HA 4.000 . 5.500 5.152 5.152 5.152 . 0 0 "[ ]" 1
129 1 17 LEU H 1 20 TYR H 4.000 . 5.000 3.191 3.191 3.191 . 0 0 "[ ]" 1
130 1 17 LEU H 1 20 TYR QB 4.000 . 6.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
131 1 17 LEU HA 1 17 LEU QD 2.500 . 5.100 2.889 2.889 2.889 . 0 0 "[ ]" 1
132 1 17 LEU QD 1 18 SER H 4.000 3.300 7.400 3.093 3.093 3.093 0.207 1 0 "[ ]" 1
133 1 17 LEU QD 1 18 SER HA 3.000 . 5.900 4.171 4.171 4.171 . 0 0 "[ ]" 1
134 1 17 LEU O 1 21 TYR H 3.000 . 3.500 3.806 3.806 3.806 0.306 1 0 "[ ]" 1
135 1 18 SER H 1 18 SER HA 2.500 . 2.700 2.338 2.338 2.338 . 0 0 "[ ]" 1
136 1 18 SER H 1 18 SER QB 2.500 . 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 1
137 1 18 SER H 1 19 ARG H 2.500 . 2.700 2.975 2.975 2.975 0.275 1 0 "[ ]" 1
138 1 18 SER H 1 20 TYR CG 4.000 . 7.000 7.163 7.163 7.163 0.163 1 0 "[ ]" 1
139 1 18 SER H 1 20 TYR H 4.000 . 5.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
140 1 18 SER H 1 21 TYR CG 4.000 . 7.000 6.352 6.352 6.352 . 0 0 "[ ]" 1
141 1 18 SER HA 1 18 SER QB 2.500 . 3.700 2.473 2.473 2.473 . 0 0 "[ ]" 1
142 1 18 SER HA 1 19 ARG H 4.000 . 5.000 2.173 2.173 2.173 . 0 0 "[ ]" 1
143 1 18 SER HA 1 19 ARG HA 4.000 . 5.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
144 1 18 SER HA 1 19 ARG QB 4.000 . 6.400 2.874 2.874 2.874 . 0 0 "[ ]" 1
145 1 18 SER HA 1 21 TYR CG 3.000 . 5.500 5.776 5.776 5.776 0.276 1 0 "[ ]" 1
146 1 18 SER HA 1 21 TYR HB2 4.000 . 6.000 6.270 6.270 6.270 0.270 1 0 "[ ]" 1
147 1 18 SER HA 1 21 TYR HB3 4.000 . 5.500 4.591 4.591 4.591 . 0 0 "[ ]" 1
148 1 18 SER QB 1 19 ARG H 3.000 . 4.500 3.917 3.917 3.917 . 0 0 "[ ]" 1
149 1 18 SER QB 1 19 ARG QD 2.500 . 4.700 3.027 3.027 3.027 . 0 0 "[ ]" 1
150 1 18 SER O 1 22 ALA H 3.000 . 3.500 3.734 3.734 3.734 0.234 1 0 "[ ]" 1
151 1 19 ARG H 1 19 ARG QB 2.500 . 3.300 3.140 3.140 3.140 . 0 0 "[ ]" 1
152 1 19 ARG H 1 19 ARG QD 4.000 . 6.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
153 1 19 ARG H 1 22 ALA H 4.000 . 6.500 6.543 6.543 6.543 0.043 1 0 "[ ]" 1
154 1 19 ARG HA 1 20 TYR QB 4.000 . 6.000 4.223 4.223 4.223 . 0 0 "[ ]" 1
155 1 19 ARG QB 1 19 ARG HE 2.500 . 3.700 2.774 2.774 2.774 . 0 0 "[ ]" 1
156 1 19 ARG HD2 1 19 ARG HE 2.500 . 2.800 2.893 2.893 2.893 0.093 1 0 "[ ]" 1
157 1 19 ARG HD3 1 19 ARG HE 2.500 . 2.800 2.350 2.350 2.350 . 0 0 "[ ]" 1
158 1 19 ARG HE 1 19 ARG QG 2.500 . 3.700 3.088 3.088 3.088 . 0 0 "[ ]" 1
159 1 19 ARG O 1 23 SER H 3.000 . 5.500 5.164 5.164 5.164 . 0 0 "[ ]" 1
160 1 20 TYR CG 1 20 TYR H 3.000 . 5.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
161 1 20 TYR CG 1 21 TYR H 2.500 . 4.700 4.109 4.109 4.109 . 0 0 "[ ]" 1
162 1 20 TYR CG 1 21 TYR HA 3.000 . 5.500 4.621 4.621 4.621 . 0 0 "[ ]" 1
163 1 20 TYR CZ 1 21 TYR CG 4.000 . 9.000 8.112 8.112 8.112 . 0 0 "[ ]" 1
164 1 20 TYR CZ 1 21 TYR CZ 4.000 . 10.000 10.342 10.342 10.342 0.342 1 0 "[ ]" 1
165 1 20 TYR CZ 1 21 TYR HA 4.000 . 7.000 5.084 5.084 5.084 . 0 0 "[ ]" 1
166 1 20 TYR CZ 1 21 TYR QB 4.000 . 8.000 6.341 6.341 6.341 . 0 0 "[ ]" 1
167 1 20 TYR CZ 1 23 SER QB 4.000 . 8.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
168 1 20 TYR CZ 1 24 LEU HG 4.000 . 7.000 4.758 4.758 4.758 . 0 0 "[ ]" 1
169 1 20 TYR H 1 20 TYR HA 2.500 . 2.700 2.337 2.337 2.337 . 0 0 "[ ]" 1
170 1 20 TYR H 1 20 TYR QB 2.500 . 3.300 2.880 2.880 2.880 . 0 0 "[ ]" 1
171 1 20 TYR H 1 21 TYR CG 4.000 . 7.000 5.540 5.540 5.540 . 0 0 "[ ]" 1
172 1 20 TYR H 1 21 TYR H 2.500 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 1
173 1 20 TYR H 1 21 TYR HA 4.000 . 5.000 5.173 5.173 5.173 0.173 1 0 "[ ]" 1
174 1 20 TYR H 1 24 LEU QD 4.000 . 7.900 5.550 5.550 5.550 . 0 0 "[ ]" 1
175 1 20 TYR HA 1 20 TYR QD 2.500 . 3.700 3.659 3.659 3.659 . 0 0 "[ ]" 1
176 1 20 TYR HA 1 21 TYR CZ 4.000 . 7.500 6.064 6.064 6.064 . 0 0 "[ ]" 1
177 1 20 TYR QB 1 21 TYR CZ 4.000 . 8.000 7.244 7.244 7.244 . 0 0 "[ ]" 1
178 1 20 TYR QB 1 21 TYR H 3.000 . 4.500 3.957 3.957 3.957 . 0 0 "[ ]" 1
179 1 20 TYR QB 1 21 TYR HA 4.000 . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
180 1 20 TYR QB 1 22 ALA H 4.000 . 6.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
181 1 20 TYR O 1 24 LEU H 3.000 . 3.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
182 1 21 TYR CG 1 21 TYR H 3.000 . 5.500 3.096 3.096 3.096 . 0 0 "[ ]" 1
183 1 21 TYR CG 1 21 TYR HA 2.500 . 4.700 3.338 3.338 3.338 . 0 0 "[ ]" 1
184 1 21 TYR CG 1 22 ALA H 3.000 . 5.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
185 1 21 TYR CG 1 22 ALA MB 4.000 . 8.000 3.650 3.650 3.650 . 0 0 "[ ]" 1
186 1 21 TYR CG 1 24 LEU QB 4.000 . 8.500 5.241 5.241 5.241 . 0 0 "[ ]" 1
187 1 21 TYR CG 1 24 LEU HG 4.000 . 7.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
188 1 21 TYR CZ 1 22 ALA MB 4.000 . 8.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
189 1 21 TYR CZ 1 25 ARG QD 3.000 . 6.500 6.017 6.017 6.017 . 0 0 "[ ]" 1
190 1 21 TYR H 1 21 TYR HA 2.500 . 2.700 2.731 2.731 2.731 0.031 1 0 "[ ]" 1
191 1 21 TYR H 1 21 TYR QB 2.500 . 3.300 2.125 2.125 2.125 . 0 0 "[ ]" 1
192 1 21 TYR H 1 22 ALA H 3.000 . 3.500 2.696 2.696 2.696 . 0 0 "[ ]" 1
193 1 21 TYR H 1 23 SER H 4.000 . 5.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
194 1 21 TYR HA 1 21 TYR QB 2.500 . 3.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
195 1 21 TYR HA 1 22 ALA H 3.000 . 3.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
196 1 21 TYR QB 1 22 ALA H 4.000 . 6.000 3.280 3.280 3.280 . 0 0 "[ ]" 1
197 1 21 TYR QB 1 23 SER H 4.000 . 6.000 5.232 5.232 5.232 . 0 0 "[ ]" 1
198 1 21 TYR O 1 25 ARG H 3.000 . 3.500 3.724 3.724 3.724 0.224 1 0 "[ ]" 1
199 1 22 ALA H 1 22 ALA HA 2.500 . 2.700 2.829 2.829 2.829 0.129 1 0 "[ ]" 1
200 1 22 ALA H 1 22 ALA MB 2.500 . 3.300 2.123 2.123 2.123 . 0 0 "[ ]" 1
201 1 22 ALA H 1 23 SER H 2.500 . 2.700 2.756 2.756 2.756 0.056 1 0 "[ ]" 1
202 1 22 ALA MB 1 23 SER H 3.000 . 4.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
203 1 22 ALA MB 1 25 ARG H 4.000 . 6.000 4.964 4.964 4.964 . 0 0 "[ ]" 1
204 1 23 SER H 1 23 SER HA 2.500 . 2.700 2.822 2.822 2.822 0.122 1 0 "[ ]" 1
205 1 23 SER H 1 23 SER QB 2.500 . 3.300 2.190 2.190 2.190 . 0 0 "[ ]" 1
206 1 23 SER H 1 24 LEU QD 3.000 . 5.900 4.480 4.480 4.480 . 0 0 "[ ]" 1
207 1 23 SER H 1 25 ARG QD 4.000 . 6.000 4.662 4.662 4.662 . 0 0 "[ ]" 1
208 1 23 SER HA 1 23 SER QB 2.500 . 3.700 2.469 2.469 2.469 . 0 0 "[ ]" 1
209 1 23 SER HA 1 24 LEU H 3.000 . 3.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
210 1 23 SER HA 1 24 LEU QD 4.000 . 6.900 5.330 5.330 5.330 . 0 0 "[ ]" 1
211 1 23 SER QB 1 24 LEU H 3.000 . 4.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
212 1 24 LEU H 1 24 LEU HA 3.000 . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
213 1 24 LEU H 1 24 LEU QB 2.500 . 3.300 2.590 2.590 2.590 . 0 0 "[ ]" 1
214 1 24 LEU H 1 24 LEU QD 2.500 . 5.100 2.920 2.920 2.920 . 0 0 "[ ]" 1
215 1 24 LEU H 1 24 LEU HG 2.500 . 2.700 1.929 1.929 1.929 . 0 0 "[ ]" 1
216 1 24 LEU H 1 25 ARG H 3.000 . 3.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
217 1 24 LEU H 1 25 ARG QB 4.000 . 6.400 3.674 3.674 3.674 . 0 0 "[ ]" 1
218 1 24 LEU H 1 26 HIS HE1 4.000 . 5.000 4.188 4.188 4.188 . 0 0 "[ ]" 1
219 1 24 LEU HA 1 24 LEU QD 2.500 . 5.100 2.093 2.093 2.093 . 0 0 "[ ]" 1
220 1 24 LEU HA 1 24 LEU HG 3.000 . 3.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
221 1 24 LEU QD 1 25 ARG H 4.000 3.300 7.400 4.122 4.122 4.122 . 0 0 "[ ]" 1
222 1 24 LEU HG 1 25 ARG H 4.000 . 5.100 4.285 4.285 4.285 . 0 0 "[ ]" 1
223 1 24 LEU HG 1 27 TYR H 4.000 . 7.100 6.723 6.723 6.723 . 0 0 "[ ]" 1
224 1 25 ARG H 1 25 ARG HA 2.500 . 2.700 2.708 2.708 2.708 0.008 1 0 "[ ]" 1
225 1 25 ARG H 1 25 ARG HE 4.000 . 6.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
226 1 25 ARG H 1 25 ARG QG 2.500 . 3.700 1.774 1.774 1.774 0.026 1 0 "[ ]" 1
227 1 25 ARG H 1 26 HIS QB 4.000 . 6.000 5.527 5.527 5.527 . 0 0 "[ ]" 1
228 1 25 ARG H 1 26 HIS HE1 4.000 . 5.000 5.142 5.142 5.142 0.142 1 0 "[ ]" 1
229 1 25 ARG H 1 27 TYR CG 4.000 . 8.000 7.830 7.830 7.830 . 0 0 "[ ]" 1
230 1 25 ARG HA 1 25 ARG QG 2.500 . 3.700 3.268 3.268 3.268 . 0 0 "[ ]" 1
231 1 25 ARG QB 1 25 ARG HE 2.500 . 3.700 1.855 1.855 1.855 . 0 0 "[ ]" 1
232 1 25 ARG QB 1 26 HIS H 2.500 . 4.100 2.146 2.146 2.146 . 0 0 "[ ]" 1
233 1 25 ARG QB 1 27 TYR CG 4.000 . 8.900 7.019 7.019 7.019 . 0 0 "[ ]" 1
234 1 25 ARG QB 1 29 ASN QD 4.000 . 8.800 3.030 3.030 3.030 . 0 0 "[ ]" 1
235 1 25 ARG QD 1 25 ARG HE 2.500 . 3.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
236 1 25 ARG HE 1 26 HIS H 4.000 3.300 4.200 4.645 4.645 4.645 0.445 1 0 "[ ]" 1
237 1 25 ARG O 1 29 ASN H 2.500 . 2.700 2.864 2.864 2.864 0.164 1 0 "[ ]" 1
238 1 26 HIS H 1 26 HIS HA 2.500 . 2.700 2.651 2.651 2.651 . 0 0 "[ ]" 1
239 1 26 HIS H 1 26 HIS QB 3.000 . 4.100 3.097 3.097 3.097 . 0 0 "[ ]" 1
240 1 26 HIS H 1 27 TYR H 3.000 . 3.500 3.250 3.250 3.250 . 0 0 "[ ]" 1
241 1 26 HIS HA 1 26 HIS QB 2.500 . 3.700 2.161 2.161 2.161 . 0 0 "[ ]" 1
242 1 26 HIS QB 1 27 TYR CG 4.000 . 8.000 5.387 5.387 5.387 . 0 0 "[ ]" 1
243 1 26 HIS QB 1 27 TYR CZ 4.000 . 8.500 7.624 7.624 7.624 . 0 0 "[ ]" 1
244 1 26 HIS HD2 1 30 LEU QD 4.000 . 7.900 3.969 3.969 3.969 . 0 0 "[ ]" 1
245 1 26 HIS HD2 1 31 VAL QG 4.000 . 7.400 5.420 5.420 5.420 . 0 0 "[ ]" 1
246 1 26 HIS HE1 1 30 LEU QD 4.000 . 7.900 5.587 5.587 5.587 . 0 0 "[ ]" 1
247 1 26 HIS O 1 30 LEU H 3.000 . 3.500 2.079 2.079 2.079 . 0 0 "[ ]" 1
248 1 27 TYR CG 1 27 TYR H 2.500 . 4.700 4.026 4.026 4.026 . 0 0 "[ ]" 1
249 1 27 TYR CG 1 28 LEU HA 3.000 . 5.500 4.214 4.214 4.214 . 0 0 "[ ]" 1
250 1 27 TYR CG 1 28 LEU QD 2.500 . 7.100 2.437 2.437 2.437 . 0 0 "[ ]" 1
251 1 27 TYR CG 1 28 LEU HG 4.000 . 7.000 5.118 5.118 5.118 . 0 0 "[ ]" 1
252 1 27 TYR CG 1 29 ASN H 4.000 . 7.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
253 1 27 TYR CG 1 30 LEU QB 4.000 . 7.000 6.308 6.308 6.308 . 0 0 "[ ]" 1
254 1 27 TYR CG 1 30 LEU QD 2.500 . 7.100 4.574 4.574 4.574 . 0 0 "[ ]" 1
255 1 27 TYR CG 1 31 VAL H 4.000 . 7.000 5.513 5.513 5.513 . 0 0 "[ ]" 1
256 1 27 TYR CG 1 31 VAL MG1 2.500 . 5.700 3.896 3.896 3.896 . 0 0 "[ ]" 1
257 1 27 TYR CG 1 31 VAL MG2 2.500 . 5.700 3.431 3.431 3.431 . 0 0 "[ ]" 1
258 1 27 TYR CG 1 32 THR MG 4.000 . 8.000 6.296 6.296 6.296 . 0 0 "[ ]" 1
259 1 27 TYR CZ 1 28 LEU H 3.000 . 5.500 4.969 4.969 4.969 . 0 0 "[ ]" 1
260 1 27 TYR CZ 1 28 LEU HA 4.000 . 7.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
261 1 27 TYR CZ 1 28 LEU QD 2.500 . 7.100 2.191 2.191 2.191 . 0 0 "[ ]" 1
262 1 27 TYR CZ 1 30 LEU QD 4.000 . 9.400 6.105 6.105 6.105 . 0 0 "[ ]" 1
263 1 27 TYR CZ 1 31 VAL HB 4.000 . 7.500 5.893 5.893 5.893 . 0 0 "[ ]" 1
264 1 27 TYR CZ 1 31 VAL MG1 2.500 . 5.700 4.583 4.583 4.583 . 0 0 "[ ]" 1
265 1 27 TYR CZ 1 31 VAL MG2 3.000 . 6.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
266 1 27 TYR CZ 1 32 THR MG 4.000 . 8.500 7.164 7.164 7.164 . 0 0 "[ ]" 1
267 1 27 TYR H 1 28 LEU H 4.000 . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
268 1 27 TYR H 1 28 LEU HA 4.000 . 6.000 5.790 5.790 5.790 . 0 0 "[ ]" 1
269 1 27 TYR H 1 28 LEU QD 4.000 . 7.400 5.069 5.069 5.069 . 0 0 "[ ]" 1
270 1 27 TYR H 1 30 LEU H 4.000 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 1
271 1 27 TYR HA 1 27 TYR QB 2.500 . 3.700 2.334 2.334 2.334 . 0 0 "[ ]" 1
272 1 27 TYR HA 1 27 TYR QD 3.000 . 4.500 1.756 1.756 1.756 0.044 1 0 "[ ]" 1
273 1 27 TYR QB 1 28 LEU H 2.500 . 3.700 1.864 1.864 1.864 . 0 0 "[ ]" 1
274 1 27 TYR QB 1 30 LEU H 4.000 . 6.000 5.141 5.141 5.141 . 0 0 "[ ]" 1
275 1 27 TYR O 1 31 VAL H 4.000 . 5.000 1.989 1.989 1.989 . 0 0 "[ ]" 1
276 1 28 LEU H 1 28 LEU HA 2.500 . 2.700 2.901 2.901 2.901 0.201 1 0 "[ ]" 1
277 1 28 LEU H 1 28 LEU QD 2.500 . 5.100 2.714 2.714 2.714 . 0 0 "[ ]" 1
278 1 28 LEU H 1 28 LEU HG 4.000 2.800 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
279 1 28 LEU H 1 29 ASN H 2.500 . 2.700 2.860 2.860 2.860 0.160 1 0 "[ ]" 1
280 1 28 LEU H 1 31 VAL QG 2.500 . 5.100 3.723 3.723 3.723 . 0 0 "[ ]" 1
281 1 28 LEU H 1 32 THR HB 4.000 . 5.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
282 1 28 LEU HA 1 28 LEU QB 2.500 . 3.700 2.509 2.509 2.509 . 0 0 "[ ]" 1
283 1 28 LEU HA 1 28 LEU QD 2.500 . 5.100 1.694 1.694 1.694 0.106 1 0 "[ ]" 1
284 1 28 LEU QB 1 29 ASN H 3.000 . 4.500 3.745 3.745 3.745 . 0 0 "[ ]" 1
285 1 28 LEU QD 1 29 ASN H 2.500 . 5.100 3.721 3.721 3.721 . 0 0 "[ ]" 1
286 1 28 LEU QD 1 31 VAL H 2.500 . 5.100 3.624 3.624 3.624 . 0 0 "[ ]" 1
287 1 28 LEU QD 1 31 VAL MG1 3.000 . 6.900 3.382 3.382 3.382 . 0 0 "[ ]" 1
288 1 28 LEU QD 1 31 VAL MG2 2.500 . 6.100 1.813 1.813 1.813 . 0 0 "[ ]" 1
289 1 28 LEU QD 1 32 THR H 3.000 . 5.900 2.711 2.711 2.711 . 0 0 "[ ]" 1
290 1 28 LEU QD 1 35 ARG H 4.000 . 8.400 6.042 6.042 6.042 . 0 0 "[ ]" 1
291 1 28 LEU O 1 32 THR H 4.000 . 5.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
292 1 29 ASN H 1 29 ASN HA 2.500 . 2.700 2.920 2.920 2.920 0.220 1 0 "[ ]" 1
293 1 29 ASN H 1 29 ASN QB 3.000 . 4.500 2.760 2.760 2.760 . 0 0 "[ ]" 1
294 1 29 ASN H 1 29 ASN QD 4.000 . 6.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
295 1 29 ASN H 1 30 LEU H 2.500 . 2.700 1.752 1.752 1.752 0.048 1 0 "[ ]" 1
296 1 29 ASN H 1 30 LEU QD 4.000 . 7.400 3.851 3.851 3.851 . 0 0 "[ ]" 1
297 1 29 ASN H 1 31 VAL HA 4.000 . 5.700 5.882 5.882 5.882 0.182 1 0 "[ ]" 1
298 1 29 ASN HA 1 29 ASN QB 2.500 . 3.700 2.175 2.175 2.175 . 0 0 "[ ]" 1
299 1 29 ASN HA 1 30 LEU H 3.000 . 3.500 3.101 3.101 3.101 . 0 0 "[ ]" 1
300 1 29 ASN HA 1 30 LEU QD 4.000 . 7.400 5.605 5.605 5.605 . 0 0 "[ ]" 1
301 1 29 ASN QB 1 30 LEU H 3.000 . 4.500 3.828 3.828 3.828 . 0 0 "[ ]" 1
302 1 29 ASN QB 1 31 VAL H 4.000 . 6.000 5.257 5.257 5.257 . 0 0 "[ ]" 1
303 1 29 ASN HB2 1 29 ASN QD 3.000 . 4.500 3.357 3.357 3.357 . 0 0 "[ ]" 1
304 1 29 ASN HB3 1 29 ASN QD 2.500 . 3.700 2.690 2.690 2.690 . 0 0 "[ ]" 1
305 1 29 ASN QD 1 30 LEU H 3.000 . 4.500 2.766 2.766 2.766 . 0 0 "[ ]" 1
306 1 29 ASN QD 1 30 LEU HA 3.000 . 4.500 3.586 3.586 3.586 . 0 0 "[ ]" 1
307 1 29 ASN QD 1 32 THR HB 4.000 . 6.500 5.850 5.850 5.850 . 0 0 "[ ]" 1
308 1 29 ASN QD 1 32 THR MG 4.000 . 7.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
309 1 29 ASN O 1 33 ARG H 2.500 . 2.700 5.633 5.633 5.633 2.933 1 1 [+] 1
310 1 30 LEU H 1 30 LEU HA 2.500 . 2.700 2.929 2.929 2.929 0.229 1 0 "[ ]" 1
311 1 30 LEU H 1 30 LEU QB 3.000 . 3.600 2.661 2.661 2.661 . 0 0 "[ ]" 1
312 1 30 LEU H 1 30 LEU QD 2.500 . 5.100 3.403 3.403 3.403 . 0 0 "[ ]" 1
313 1 30 LEU H 1 30 LEU HG 3.000 . 3.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
314 1 30 LEU H 1 31 VAL H 2.500 . 2.700 1.685 1.685 1.685 0.115 1 0 "[ ]" 1
315 1 30 LEU H 1 31 VAL HA 4.000 . 5.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
316 1 30 LEU H 1 32 THR HA 4.000 . 6.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
317 1 30 LEU HA 1 30 LEU QB 2.500 . 3.700 2.186 2.186 2.186 . 0 0 "[ ]" 1
318 1 30 LEU HA 1 30 LEU QD 2.500 . 5.100 3.052 3.052 3.052 . 0 0 "[ ]" 1
319 1 30 LEU HA 1 30 LEU HG 3.000 . 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 1
320 1 30 LEU HA 1 31 VAL H 3.000 . 3.500 3.479 3.479 3.479 . 0 0 "[ ]" 1
321 1 30 LEU HA 1 34 GLN QE 4.000 . 7.000 3.109 3.109 3.109 . 0 0 "[ ]" 1
322 1 30 LEU QB 1 30 LEU QD 2.500 . 6.100 1.860 1.860 1.860 . 0 0 "[ ]" 1
323 1 30 LEU QB 1 31 VAL QG 4.000 . 8.400 3.158 3.158 3.158 . 0 0 "[ ]" 1
324 1 30 LEU QD 1 31 VAL H 2.500 . 5.100 3.127 3.127 3.127 . 0 0 "[ ]" 1
325 1 30 LEU QD 1 31 VAL MG1 2.500 . 6.100 1.983 1.983 1.983 . 0 0 "[ ]" 1
326 1 30 LEU QD 1 31 VAL MG2 4.000 . 8.400 3.685 3.685 3.685 . 0 0 "[ ]" 1
327 1 30 LEU QD 1 35 ARG H 4.000 . 7.900 5.729 5.729 5.729 . 0 0 "[ ]" 1
328 1 30 LEU HG 1 31 VAL H 3.000 . 3.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
329 1 30 LEU O 1 34 GLN H 2.500 . 2.700 5.208 5.208 5.208 2.508 1 1 [+] 1
330 1 31 VAL H 1 31 VAL HA 2.500 . 2.700 2.912 2.912 2.912 0.212 1 0 "[ ]" 1
331 1 31 VAL H 1 31 VAL MG1 3.000 . 4.500 1.887 1.887 1.887 . 0 0 "[ ]" 1
332 1 31 VAL H 1 31 VAL QG 2.500 . 5.400 1.810 1.810 1.810 . 0 0 "[ ]" 1
333 1 31 VAL H 1 31 VAL MG2 2.500 . 3.700 2.323 2.323 2.323 . 0 0 "[ ]" 1
334 1 31 VAL HA 1 31 VAL HB 2.500 . 2.700 2.359 2.359 2.359 . 0 0 "[ ]" 1
335 1 31 VAL HA 1 31 VAL MG1 2.500 . 3.700 2.653 2.653 2.653 . 0 0 "[ ]" 1
336 1 31 VAL HA 1 31 VAL MG2 2.500 . 3.700 3.152 3.152 3.152 . 0 0 "[ ]" 1
337 1 31 VAL HA 1 32 THR HA 4.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
338 1 31 VAL HA 1 32 THR HB 4.000 . 6.000 5.981 5.981 5.981 . 0 0 "[ ]" 1
339 1 31 VAL HA 1 32 THR HG1 2.500 . 5.100 4.133 4.133 4.133 . 0 0 "[ ]" 1
340 1 31 VAL HA 1 35 ARG H 4.000 . 5.600 4.206 4.206 4.206 . 0 0 "[ ]" 1
341 1 31 VAL HB 1 32 THR H 4.000 . 5.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
342 1 31 VAL QG 1 32 THR HB 4.000 . 7.400 3.507 3.507 3.507 . 0 0 "[ ]" 1
343 1 31 VAL QG 1 35 ARG HE 4.000 . 7.400 4.698 4.698 4.698 . 0 0 "[ ]" 1
344 1 31 VAL MG1 1 32 THR H 3.000 . 4.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
345 1 31 VAL MG1 1 32 THR HA 4.000 . 6.500 5.122 5.122 5.122 . 0 0 "[ ]" 1
346 1 31 VAL MG1 1 32 THR MG 4.000 . 7.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
347 1 31 VAL MG2 1 32 THR H 2.500 . 3.700 1.987 1.987 1.987 . 0 0 "[ ]" 1
348 1 31 VAL MG2 1 32 THR HA 4.000 . 6.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
349 1 31 VAL MG2 1 32 THR MG 3.000 . 5.500 3.286 3.286 3.286 . 0 0 "[ ]" 1
350 1 32 THR H 1 32 THR HA 2.500 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1
351 1 32 THR H 1 32 THR HB 3.000 . 3.500 2.696 2.696 2.696 . 0 0 "[ ]" 1
352 1 32 THR H 1 32 THR MG 2.500 . 3.700 1.793 1.793 1.793 0.007 1 0 "[ ]" 1
353 1 32 THR H 1 33 ARG QG 4.000 . 6.000 5.036 5.036 5.036 . 0 0 "[ ]" 1
354 1 32 THR H 1 34 GLN H 4.000 . 5.000 5.062 5.062 5.062 0.062 1 0 "[ ]" 1
355 1 32 THR HA 1 32 THR HG1 2.500 . 5.100 2.506 2.506 2.506 . 0 0 "[ ]" 1
356 1 32 THR HA 1 33 ARG H 4.000 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
357 1 32 THR HB 1 33 ARG H 4.000 . 5.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
358 1 32 THR HB 1 33 ARG QD 4.000 . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
359 1 32 THR HB 1 34 GLN QE 3.000 . 4.500 4.157 4.157 4.157 . 0 0 "[ ]" 1
360 1 32 THR MG 1 34 GLN H 4.000 . 6.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
361 1 33 ARG H 1 33 ARG QD 4.000 . 6.000 2.382 2.382 2.382 . 0 0 "[ ]" 1
362 1 33 ARG H 1 34 GLN H 2.500 . 2.700 2.092 2.092 2.092 . 0 0 "[ ]" 1
363 1 33 ARG H 1 34 GLN HA 4.000 . 5.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
364 1 33 ARG H 1 35 ARG H 3.000 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
365 1 33 ARG HA 1 33 ARG QD 4.000 . 6.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
366 1 33 ARG QB 1 33 ARG HE 3.000 . 4.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
367 1 33 ARG QB 1 34 GLN QE 3.000 . 5.500 4.031 4.031 4.031 . 0 0 "[ ]" 1
368 1 33 ARG QD 1 34 GLN H 3.000 . 4.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
369 1 33 ARG QD 1 34 GLN QE 2.500 . 4.700 3.513 3.513 3.513 . 0 0 "[ ]" 1
370 1 33 ARG HE 1 33 ARG QG 2.500 . 3.700 2.210 2.210 2.210 . 0 0 "[ ]" 1
371 1 33 ARG QG 1 34 GLN QE 3.000 . 5.500 4.270 4.270 4.270 . 0 0 "[ ]" 1
372 1 33 ARG QG 1 35 ARG HE 4.000 . 6.000 5.250 5.250 5.250 . 0 0 "[ ]" 1
373 1 34 GLN H 1 34 GLN HA 2.500 . 2.700 2.818 2.818 2.818 0.118 1 0 "[ ]" 1
374 1 34 GLN H 1 34 GLN QB 2.500 . 3.700 2.235 2.235 2.235 . 0 0 "[ ]" 1
375 1 34 GLN H 1 34 GLN QG 2.500 . 3.700 3.415 3.415 3.415 . 0 0 "[ ]" 1
376 1 34 GLN H 1 35 ARG QB 4.000 . 6.400 4.524 4.524 4.524 . 0 0 "[ ]" 1
377 1 34 GLN HA 1 34 GLN QB 2.500 . 3.700 2.166 2.166 2.166 . 0 0 "[ ]" 1
378 1 34 GLN HA 1 34 GLN QE 3.000 . 4.500 3.918 3.918 3.918 . 0 0 "[ ]" 1
379 1 34 GLN QB 1 34 GLN QE 2.500 . 4.700 2.514 2.514 2.514 . 0 0 "[ ]" 1
380 1 34 GLN QB 1 35 ARG HE 4.000 . 6.400 5.057 5.057 5.057 . 0 0 "[ ]" 1
381 1 34 GLN QE 1 34 GLN QG 2.500 . 4.700 2.523 2.523 2.523 . 0 0 "[ ]" 1
382 1 34 GLN QE 1 35 ARG H 4.000 . 6.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
383 1 34 GLN QE 1 35 ARG QD 4.000 . 7.000 5.168 5.168 5.168 . 0 0 "[ ]" 1
384 1 35 ARG H 1 35 ARG HA 2.500 . 2.700 2.331 2.331 2.331 . 0 0 "[ ]" 1
385 1 35 ARG H 1 35 ARG QB 3.000 . 4.100 3.230 3.230 3.230 . 0 0 "[ ]" 1
386 1 35 ARG H 1 35 ARG QD 4.000 . 6.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
387 1 35 ARG H 1 35 ARG QG 2.500 . 3.700 3.021 3.021 3.021 . 0 0 "[ ]" 1
388 1 35 ARG HA 1 35 ARG QB 2.500 . 3.700 2.450 2.450 2.450 . 0 0 "[ ]" 1
389 1 35 ARG HA 1 35 ARG QD 3.000 . 4.500 1.899 1.899 1.899 . 0 0 "[ ]" 1
390 1 35 ARG HA 1 35 ARG HE 2.500 . 3.500 1.969 1.969 1.969 . 0 0 "[ ]" 1
391 1 35 ARG HA 1 35 ARG QG 2.500 . 3.700 2.822 2.822 2.822 . 0 0 "[ ]" 1
392 1 35 ARG HA 1 36 TYR H 2.500 . 2.700 2.322 2.322 2.322 . 0 0 "[ ]" 1
393 1 35 ARG QB 1 35 ARG HE 2.500 . 3.700 3.519 3.519 3.519 . 0 0 "[ ]" 1
394 1 35 ARG QD 1 36 TYR QB 3.000 . 5.500 4.078 4.078 4.078 . 0 0 "[ ]" 1
395 1 36 TYR CG 1 36 TYR H 2.500 . 4.700 3.816 3.816 3.816 . 0 0 "[ ]" 1
396 1 36 TYR CG 1 36 TYR HA 2.500 . 4.700 2.471 2.471 2.471 . 0 0 "[ ]" 1
397 1 36 TYR H 1 36 TYR HA 2.500 . 2.700 2.801 2.801 2.801 0.101 1 0 "[ ]" 1
398 1 36 TYR H 1 36 TYR HB2 2.500 . 3.700 2.091 2.091 2.091 . 0 0 "[ ]" 1
399 1 36 TYR H 1 36 TYR QB 2.500 . 3.700 2.058 2.058 2.058 . 0 0 "[ ]" 1
400 1 36 TYR H 1 36 TYR HB3 2.500 . 3.700 3.064 3.064 3.064 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 4:53:03 AM GMT (wattos1)