NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393397 |
1qmw   |
4503 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qmw
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 155
_Distance_constraint_stats_list.Viol_count 356
_Distance_constraint_stats_list.Viol_total 918.959
_Distance_constraint_stats_list.Viol_max 0.464
_Distance_constraint_stats_list.Viol_rms 0.0222
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0717
_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 ILE 2.462 0.317 33 0 "[ . 1 . 2 . 3 . ]"
1 2 CYS 1.697 0.317 33 0 "[ . 1 . 2 . 3 . ]"
1 3 CYS 4.276 0.179 28 0 "[ . 1 . 2 . 3 . ]"
1 4 ASN 3.561 0.169 34 0 "[ . 1 . 2 . 3 . ]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 6 ALA 1.498 0.065 34 0 "[ . 1 . 2 . 3 . ]"
1 7 CYS 4.787 0.159 27 0 "[ . 1 . 2 . 3 . ]"
1 8 GLY 2.910 0.169 34 0 "[ . 1 . 2 . 3 . ]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 10 LYS 7.772 0.257 25 0 "[ . 1 . 2 . 3 . ]"
1 11 TYR 6.382 0.109 19 0 "[ . 1 . 2 . 3 . ]"
1 12 SER 7.600 0.464 35 0 "[ . 1 . 2 . 3 . ]"
1 13 CYS 3.270 0.464 35 0 "[ . 1 . 2 . 3 . ]"
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 ILE HA 1 1 ILE HB . . 2.740 2.600 2.462 2.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
2 1 1 ILE HA 1 1 ILE MG . . 3.580 2.096 1.960 2.404 . 0 0 "[ . 1 . 2 . 3 . ]" 1
3 1 1 ILE HA 1 2 CYS H . . 2.650 2.441 2.217 2.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1
4 1 1 ILE HA 1 2 CYS QB . . 6.380 3.914 3.837 4.325 . 0 0 "[ . 1 . 2 . 3 . ]" 1
5 1 1 ILE HA 1 12 SER H . . 5.500 4.101 3.793 4.464 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 1 ILE HA 1 12 SER HB2 . . 2.400 2.385 2.345 2.480 0.080 32 0 "[ . 1 . 2 . 3 . ]" 1
7 1 1 ILE HA 1 12 SER HB3 . . 2.400 2.316 1.948 2.496 0.096 36 0 "[ . 1 . 2 . 3 . ]" 1
8 1 1 ILE HB 1 1 ILE QG . . 2.650 2.463 2.393 2.557 . 0 0 "[ . 1 . 2 . 3 . ]" 1
9 1 1 ILE HB 1 2 CYS H . . 2.910 2.575 2.138 3.227 0.317 33 0 "[ . 1 . 2 . 3 . ]" 1
10 1 1 ILE HB 1 12 SER QB . . 3.400 2.493 1.952 2.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 1 ILE MD 1 13 CYS QB . . 6.420 3.926 2.644 4.665 . 0 0 "[ . 1 . 2 . 3 . ]" 1
12 1 1 ILE MG 1 12 SER QB . . 4.310 1.842 1.729 2.169 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 1 ILE MG 1 13 CYS QB . . 6.630 4.693 4.596 4.922 . 0 0 "[ . 1 . 2 . 3 . ]" 1
14 1 2 CYS H 1 2 CYS QB . . 3.670 2.736 2.366 3.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1
15 1 2 CYS H 1 12 SER H . . 2.900 2.162 1.887 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 2 CYS H 1 12 SER QB . . 3.590 2.358 1.893 2.587 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 2 CYS HA 1 2 CYS QB . . 2.620 2.385 2.128 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 2 CYS HA 1 3 CYS H . . 2.710 2.321 2.220 2.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 2 CYS QB 1 7 CYS QB . . 7.250 2.369 1.948 3.794 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 2 CYS QB 1 11 TYR HA . . 5.050 2.514 1.982 4.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
21 1 2 CYS QB 1 11 TYR QB . . 7.250 4.343 3.843 5.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 2 CYS HB2 1 12 SER H . . 5.500 4.161 3.800 4.880 . 0 0 "[ . 1 . 2 . 3 . ]" 1
23 1 2 CYS HB3 1 12 SER H . . 5.500 3.026 2.450 4.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 3 CYS H 1 3 CYS HB2 . . 3.330 2.724 2.107 3.185 . 0 0 "[ . 1 . 2 . 3 . ]" 1
25 1 3 CYS H 1 3 CYS QB . . 3.130 2.441 2.085 2.770 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 3 CYS H 1 3 CYS HB3 . . 3.330 2.801 2.601 3.404 0.074 35 0 "[ . 1 . 2 . 3 . ]" 1
27 1 3 CYS H 1 4 ASN H . . 3.550 3.438 2.876 3.692 0.142 34 0 "[ . 1 . 2 . 3 . ]" 1
28 1 3 CYS HA 1 4 ASN H . . 2.650 2.539 2.477 2.683 0.033 22 0 "[ . 1 . 2 . 3 . ]" 1
29 1 3 CYS HA 1 11 TYR QD . . 6.960 3.312 2.276 4.873 . 0 0 "[ . 1 . 2 . 3 . ]" 1
30 1 3 CYS HA 1 11 TYR QE . . 5.310 3.016 1.987 4.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 3 CYS HA 1 12 SER H . . 3.610 3.676 3.564 3.789 0.179 28 0 "[ . 1 . 2 . 3 . ]" 1
32 1 3 CYS HA 1 13 CYS QB . . 5.510 1.997 1.801 4.218 . 0 0 "[ . 1 . 2 . 3 . ]" 1
33 1 3 CYS QB 1 4 ASN H . . 5.070 4.077 3.991 4.091 . 0 0 "[ . 1 . 2 . 3 . ]" 1
34 1 3 CYS HB2 1 4 ASN H . . 5.500 4.708 4.625 4.722 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 3 CYS HB3 1 4 ASN H . . 5.500 4.468 4.361 4.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 4 ASN H 1 5 PRO HA . . 5.500 4.669 4.609 4.798 . 0 0 "[ . 1 . 2 . 3 . ]" 1
37 1 4 ASN H 1 5 PRO HD2 . . 5.500 4.962 4.943 4.992 . 0 0 "[ . 1 . 2 . 3 . ]" 1
38 1 4 ASN H 1 5 PRO HD3 . . 5.500 4.550 4.478 4.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1
39 1 4 ASN H 1 7 CYS H . . 5.500 4.156 4.005 4.311 . 0 0 "[ . 1 . 2 . 3 . ]" 1
40 1 4 ASN H 1 7 CYS HB2 . . 5.500 3.322 2.991 3.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 4 ASN H 1 7 CYS HB3 . . 5.500 4.431 4.089 4.835 . 0 0 "[ . 1 . 2 . 3 . ]" 1
42 1 4 ASN H 1 8 GLY H . . 5.500 5.492 5.193 5.669 0.169 34 0 "[ . 1 . 2 . 3 . ]" 1
43 1 4 ASN H 1 11 TYR HA . . 3.700 3.284 3.201 3.417 . 0 0 "[ . 1 . 2 . 3 . ]" 1
44 1 4 ASN H 1 11 TYR QD . . 7.390 2.402 1.926 3.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 4 ASN H 1 11 TYR QE . . 7.070 3.484 3.118 4.273 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 4 ASN HA 1 5 PRO HD2 . . 3.360 2.738 2.633 2.871 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 4 ASN HA 1 5 PRO QD . . 2.790 1.990 1.940 2.066 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 4 ASN HA 1 5 PRO HD3 . . 3.360 2.044 1.997 2.119 . 0 0 "[ . 1 . 2 . 3 . ]" 1
49 1 4 ASN HA 1 5 PRO QG . . 5.720 3.985 3.936 4.054 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 4 ASN HA 1 6 ALA H . . 4.480 4.173 4.007 4.375 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 4 ASN HA 1 11 TYR QE . . 7.630 4.272 3.811 4.636 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 4 ASN QB 1 5 PRO QD . . 4.560 2.657 2.108 2.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 4 ASN QB 1 6 ALA H . . 3.520 2.621 2.317 2.709 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 4 ASN QB 1 6 ALA MB . . 6.230 3.025 2.724 3.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 4 ASN QB 1 7 CYS H . . 4.020 2.661 2.471 2.984 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 4 ASN QB 1 7 CYS QB . . 5.640 3.541 3.438 3.678 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 4 ASN QD 1 6 ALA H . . 6.370 3.520 2.239 5.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 5 PRO HA 1 8 GLY H . . 3.700 3.331 3.070 3.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 5 PRO HA 1 11 TYR QD . . 6.830 3.750 2.347 4.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1
60 1 5 PRO HA 1 11 TYR QE . . 5.930 4.595 3.379 5.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 5 PRO QB 1 6 ALA H . . 4.070 3.287 3.189 3.397 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 5 PRO QD 1 6 ALA H . . 3.430 2.240 2.233 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 5 PRO QD 1 6 ALA MB . . 6.600 3.370 3.272 3.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 5 PRO HD2 1 11 TYR QE . . 7.630 6.191 5.666 6.917 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 5 PRO HD3 1 11 TYR QE . . 7.630 4.987 4.295 5.887 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 6 ALA H 1 6 ALA MB . . 3.430 2.058 1.940 2.171 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 6 ALA H 1 7 CYS H . . 2.550 2.592 2.573 2.615 0.065 34 0 "[ . 1 . 2 . 3 . ]" 1
68 1 6 ALA H 1 7 CYS HA . . 5.500 5.020 4.993 5.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 7 CYS H 1 7 CYS HB2 . . 3.640 2.539 2.461 2.574 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 7 CYS H 1 7 CYS QB . . 2.960 2.489 2.419 2.517 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 7 CYS H 1 7 CYS HB3 . . 3.640 3.579 3.563 3.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 7 CYS H 1 8 GLY H . . 2.740 2.417 2.288 2.546 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 7 CYS H 1 8 GLY HA2 . . 5.500 4.918 4.821 5.007 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 7 CYS H 1 8 GLY HA3 . . 5.500 4.663 4.530 4.791 . 0 0 "[ . 1 . 2 . 3 . ]" 1
75 1 7 CYS H 1 11 TYR H . . 5.500 5.082 4.971 5.160 . 0 0 "[ . 1 . 2 . 3 . ]" 1
76 1 7 CYS HA 1 9 PRO QD . . 6.380 4.272 4.181 4.319 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 7 CYS HA 1 10 LYS QB . . 3.620 2.674 2.572 2.762 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 7 CYS QB 1 8 GLY H . . 4.430 2.895 2.814 2.981 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 7 CYS QB 1 10 LYS H . . 3.360 3.004 2.934 3.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 7 CYS QB 1 10 LYS QB . . 5.360 1.998 1.940 2.105 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 7 CYS QB 1 11 TYR H . . 3.340 2.716 2.627 2.855 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 7 CYS QB 1 11 TYR HA . . 2.670 2.222 1.935 2.433 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 7 CYS QB 1 11 TYR QB . . 5.610 2.344 2.136 2.540 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 7 CYS QB 1 11 TYR QD . . 7.410 3.185 2.842 3.595 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 7 CYS QB 1 12 SER H . . 5.200 3.998 3.692 4.231 . 0 0 "[ . 1 . 2 . 3 . ]" 1
86 1 7 CYS HB2 1 10 LYS H . . 3.590 3.681 3.620 3.749 0.159 27 0 "[ . 1 . 2 . 3 . ]" 1
87 1 7 CYS HB2 1 11 TYR H . . 4.200 2.991 2.908 3.174 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 7 CYS HB2 1 11 TYR HA . . 3.170 2.320 1.987 2.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 7 CYS HB2 1 11 TYR QD . . 7.640 3.254 2.889 3.743 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 7 CYS HB2 1 12 SER H . . 5.500 4.411 4.000 4.714 . 0 0 "[ . 1 . 2 . 3 . ]" 1
91 1 7 CYS HB3 1 10 LYS H . . 3.590 3.186 3.064 3.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 7 CYS HB3 1 11 TYR H . . 4.200 3.116 2.994 3.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 7 CYS HB3 1 11 TYR HA . . 3.170 2.860 2.651 3.072 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 7 CYS HB3 1 11 TYR QD . . 7.640 4.561 4.218 5.122 . 0 0 "[ . 1 . 2 . 3 . ]" 1
95 1 7 CYS HB3 1 12 SER H . . 5.500 4.577 4.281 4.854 . 0 0 "[ . 1 . 2 . 3 . ]" 1
96 1 8 GLY H 1 8 GLY HA2 . . 2.900 2.736 2.726 2.754 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 8 GLY H 1 8 GLY QA . . 2.540 2.152 2.151 2.154 . 0 0 "[ . 1 . 2 . 3 . ]" 1
98 1 8 GLY H 1 8 GLY HA3 . . 2.900 2.251 2.249 2.254 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 8 GLY H 1 9 PRO QD . . 6.380 3.946 3.911 3.974 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 8 GLY H 1 11 TYR H . . 5.500 3.947 3.832 4.121 . 0 0 "[ . 1 . 2 . 3 . ]" 1
101 1 8 GLY H 1 11 TYR HB2 . . 4.450 3.051 2.951 3.190 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 8 GLY H 1 11 TYR QB . . 4.000 3.002 2.912 3.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 8 GLY H 1 11 TYR HB3 . . 4.450 4.480 4.384 4.556 0.106 23 0 "[ . 1 . 2 . 3 . ]" 1
104 1 8 GLY H 1 11 TYR QD . . 6.860 4.535 3.625 5.060 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 8 GLY QA 1 9 PRO QD . . 3.140 1.846 1.844 1.850 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 8 GLY QA 1 10 LYS H . . 3.790 3.362 3.355 3.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 8 GLY HA2 1 10 LYS H . . 4.070 3.588 3.575 3.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 8 GLY HA2 1 11 TYR H . . 5.500 4.485 4.421 4.584 . 0 0 "[ . 1 . 2 . 3 . ]" 1
109 1 8 GLY HA3 1 10 LYS H . . 4.070 4.060 4.050 4.072 0.002 26 0 "[ . 1 . 2 . 3 . ]" 1
110 1 8 GLY HA3 1 11 TYR H . . 5.500 4.137 4.074 4.216 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 9 PRO HA 1 10 LYS H . . 3.390 3.197 3.189 3.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 9 PRO HA 1 11 TYR H . . 5.500 3.640 3.555 3.693 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 9 PRO QD 1 10 LYS H . . 3.940 2.768 2.738 2.785 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 9 PRO HD2 1 10 LYS H . . 4.350 2.833 2.800 2.851 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 9 PRO HD3 1 10 LYS H . . 4.350 3.890 3.873 3.900 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 10 LYS H 1 10 LYS HB2 . . 2.990 2.902 2.821 3.005 0.015 22 0 "[ . 1 . 2 . 3 . ]" 1
117 1 10 LYS H 1 10 LYS HB3 . . 2.990 2.653 2.548 2.723 . 0 0 "[ . 1 . 2 . 3 . ]" 1
118 1 10 LYS H 1 10 LYS HG2 . . 5.500 4.434 4.411 4.484 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 10 LYS H 1 10 LYS HG3 . . 5.500 4.767 4.663 4.853 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 10 LYS H 1 11 TYR H . . 2.400 1.968 1.925 2.042 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 10 LYS H 1 11 TYR HA . . 4.310 4.361 4.269 4.419 0.109 19 0 "[ . 1 . 2 . 3 . ]" 1
122 1 10 LYS HA 1 10 LYS HG2 . . 3.210 2.482 2.279 2.769 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 10 LYS HA 1 10 LYS QG . . 2.870 2.336 2.217 2.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 10 LYS HA 1 10 LYS HG3 . . 3.210 2.892 2.555 3.225 0.015 22 0 "[ . 1 . 2 . 3 . ]" 1
125 1 10 LYS HA 1 12 SER H . . 5.500 5.571 5.519 5.757 0.257 25 0 "[ . 1 . 2 . 3 . ]" 1
126 1 10 LYS QB 1 11 TYR H . . 4.580 3.453 3.385 3.554 . 0 0 "[ . 1 . 2 . 3 . ]" 1
127 1 11 TYR H 1 11 TYR HA . . 2.930 2.811 2.783 2.847 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 11 TYR H 1 11 TYR HB2 . . 3.140 2.345 2.212 2.461 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 11 TYR H 1 11 TYR QB . . 2.650 2.066 2.056 2.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 11 TYR H 1 11 TYR HB3 . . 3.140 2.302 2.204 2.446 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 11 TYR H 1 12 SER H . . 5.500 4.508 4.492 4.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 11 TYR HA 1 11 TYR HB2 . . 2.990 2.539 2.498 2.617 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 11 TYR HA 1 11 TYR HB3 . . 2.990 3.083 3.079 3.085 0.095 20 0 "[ . 1 . 2 . 3 . ]" 1
134 1 11 TYR HA 1 12 SER H . . 2.550 2.189 2.187 2.192 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 11 TYR HB2 1 12 SER H . . 5.500 4.472 4.376 4.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 11 TYR HB3 1 12 SER H . . 5.500 4.416 4.318 4.445 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 11 TYR QD 1 12 SER H . . 4.540 3.197 2.035 3.777 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 11 TYR QD 1 12 SER HA . . 6.990 4.013 2.777 4.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 11 TYR QD 1 13 CYS H . . 6.520 3.623 2.684 5.214 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 11 TYR QD 1 13 CYS HA . . 7.640 5.773 5.067 6.146 . 0 0 "[ . 1 . 2 . 3 . ]" 1
141 1 11 TYR QD 1 13 CYS QB . . 7.400 3.847 3.181 5.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1
142 1 11 TYR QE 1 13 CYS H . . 7.630 3.452 2.369 5.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 11 TYR QE 1 13 CYS QB . . 5.440 2.944 2.059 4.213 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 12 SER H 1 12 SER HB2 . . 4.070 2.787 2.700 2.929 . 0 0 "[ . 1 . 2 . 3 . ]" 1
145 1 12 SER H 1 12 SER QB . . 3.630 2.662 2.612 2.755 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 12 SER H 1 12 SER HB3 . . 4.070 3.386 3.235 3.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
147 1 12 SER H 1 13 CYS H . . 3.640 3.258 2.925 4.104 0.464 35 0 "[ . 1 . 2 . 3 . ]" 1
148 1 12 SER H 1 13 CYS HA . . 5.500 4.672 4.463 4.749 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 12 SER H 1 13 CYS QB . . 6.380 3.594 3.357 5.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 12 SER HA 1 13 CYS H . . 2.460 2.456 2.216 2.598 0.138 36 0 "[ . 1 . 2 . 3 . ]" 1
151 1 12 SER HB2 1 13 CYS H . . 5.500 4.706 4.540 4.744 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 12 SER HB3 1 13 CYS H . . 5.500 4.317 3.605 4.389 . 0 0 "[ . 1 . 2 . 3 . ]" 1
153 1 13 CYS H 1 13 CYS HB2 . . 3.450 3.409 2.354 3.631 0.181 36 0 "[ . 1 . 2 . 3 . ]" 1
154 1 13 CYS H 1 13 CYS QB . . 3.000 2.682 2.319 2.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 13 CYS H 1 13 CYS HB3 . . 3.450 2.859 2.743 3.521 0.071 35 0 "[ . 1 . 2 . 3 . ]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, July 1, 2024 7:16:12 AM GMT (wattos1)