NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631729 |
6fs4   |
34237 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fs4
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 424
_Distance_constraint_stats_list.Viol_count 482
_Distance_constraint_stats_list.Viol_total 607.188
_Distance_constraint_stats_list.Viol_max 0.328
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0630
_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 THR 0.262 0.056 4 0 "[ . 1 . 2]"
1 2 LYS 2.143 0.328 18 0 "[ . 1 . 2]"
1 3 LEU 1.551 0.328 18 0 "[ . 1 . 2]"
1 4 THR 0.607 0.139 18 0 "[ . 1 . 2]"
1 5 GLU 0.020 0.020 18 0 "[ . 1 . 2]"
1 6 GLU 2.326 0.202 19 0 "[ . 1 . 2]"
1 7 GLU 0.006 0.004 20 0 "[ . 1 . 2]"
1 8 LYS 0.830 0.182 17 0 "[ . 1 . 2]"
1 9 ASN 1.839 0.202 19 0 "[ . 1 . 2]"
1 10 ARG 0.574 0.088 17 0 "[ . 1 . 2]"
1 11 LEU 2.997 0.257 19 0 "[ . 1 . 2]"
1 12 ASN 7.752 0.257 19 0 "[ . 1 . 2]"
1 13 PHE 5.204 0.257 14 0 "[ . 1 . 2]"
1 14 LEU 6.906 0.220 17 0 "[ . 1 . 2]"
1 15 LYS 1.674 0.157 14 0 "[ . 1 . 2]"
1 16 LYS 2.501 0.257 14 0 "[ . 1 . 2]"
1 17 ILE 3.528 0.180 7 0 "[ . 1 . 2]"
1 18 SER 0.216 0.047 12 0 "[ . 1 . 2]"
1 19 GLN 0.230 0.029 17 0 "[ . 1 . 2]"
1 20 ARG 0.517 0.067 7 0 "[ . 1 . 2]"
1 21 TYR 0.780 0.127 12 0 "[ . 1 . 2]"
1 22 GLN 0.449 0.047 12 0 "[ . 1 . 2]"
1 23 LYS 2.484 0.138 12 0 "[ . 1 . 2]"
1 24 PHE 3.698 0.138 12 0 "[ . 1 . 2]"
1 25 ALA 0.456 0.055 15 0 "[ . 1 . 2]"
1 26 LEU 1.453 0.317 4 0 "[ . 1 . 2]"
1 27 PRO 0.181 0.091 3 0 "[ . 1 . 2]"
1 28 GLN 0.350 0.169 11 0 "[ . 1 . 2]"
1 29 TYR 0.169 0.169 11 0 "[ . 1 . 2]"
1 30 LEU 0.502 0.233 13 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
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 THR HA 1 2 LYS H . . 3.300 2.628 2.175 3.356 0.056 4 0 "[ . 1 . 2]" 1
2 1 1 THR HB 1 2 LYS H . . 3.330 2.897 2.175 3.341 0.011 5 0 "[ . 1 . 2]" 1
3 1 1 THR MG 1 2 LYS H . . 6.080 2.713 1.993 4.079 . 0 0 "[ . 1 . 2]" 1
4 1 1 THR MG 1 4 THR HA . . 6.520 4.913 4.239 5.337 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS HB2 . . 3.610 3.165 2.374 3.929 0.319 11 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 2 LYS HB3 . . 3.610 3.289 2.768 3.672 0.062 18 0 "[ . 1 . 2]" 1
7 1 2 LYS H 1 2 LYS HG2 . . 5.500 4.150 2.084 5.217 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 2 LYS HG3 . . 5.500 4.083 2.388 4.795 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS H 1 3 LEU H . . 3.830 2.312 1.890 4.158 0.328 18 0 "[ . 1 . 2]" 1
10 1 2 LYS H 1 3 LEU QB . . 5.190 4.100 3.581 4.635 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS H 1 4 THR H . . 5.380 3.621 2.502 4.624 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS H 1 5 GLU QB . . 6.380 4.854 3.752 5.568 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS H 1 5 GLU QG . . 6.380 4.994 3.270 5.738 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS HA 1 3 LEU H . . 3.420 3.259 2.167 3.555 0.135 14 0 "[ . 1 . 2]" 1
15 1 2 LYS HA 1 5 GLU QB . . 4.740 3.639 2.948 4.256 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS HA 1 5 GLU QG . . 6.380 4.140 2.350 5.706 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS HA 1 6 GLU H . . 4.630 4.471 4.051 4.701 0.071 18 0 "[ . 1 . 2]" 1
18 1 2 LYS QG 1 3 LEU H . . 5.340 3.855 2.240 4.561 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU H 1 3 LEU HB2 . . 3.920 2.663 2.045 3.654 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU H 1 3 LEU QB . . 3.220 2.438 2.026 3.014 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU H 1 3 LEU HB3 . . 3.920 3.276 2.691 3.800 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU H 1 4 THR H . . 3.610 2.425 1.874 3.698 0.088 18 0 "[ . 1 . 2]" 1
23 1 3 LEU HA 1 6 GLU HB2 . . 4.450 3.036 2.822 4.592 0.142 16 0 "[ . 1 . 2]" 1
24 1 3 LEU HA 1 6 GLU HB3 . . 4.450 4.443 4.308 4.502 0.052 18 0 "[ . 1 . 2]" 1
25 1 3 LEU HA 1 6 GLU HG2 . . 5.500 5.113 2.306 5.521 0.021 14 0 "[ . 1 . 2]" 1
26 1 3 LEU HA 1 6 GLU HG3 . . 5.500 4.282 2.636 5.504 0.004 4 0 "[ . 1 . 2]" 1
27 1 3 LEU QB 1 4 THR H . . 3.710 2.594 2.010 3.350 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU HB2 1 4 THR H . . 4.290 3.104 2.342 3.627 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU HB3 1 4 THR H . . 4.290 3.009 2.025 3.978 . 0 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 4 THR HB . . 4.040 2.915 2.712 3.288 . 0 0 "[ . 1 . 2]" 1
31 1 4 THR H 1 5 GLU H . . 4.040 2.841 2.605 3.008 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR H 1 6 GLU H . . 5.500 4.581 4.099 4.743 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HA 1 7 GLU H . . 4.040 3.881 3.651 4.044 0.004 20 0 "[ . 1 . 2]" 1
34 1 4 THR HA 1 7 GLU QB . . 3.970 2.788 2.476 2.995 . 0 0 "[ . 1 . 2]" 1
35 1 4 THR HA 1 7 GLU QG . . 6.380 4.355 3.657 4.846 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR HA 1 8 LYS H . . 4.290 3.998 3.610 4.350 0.060 17 0 "[ . 1 . 2]" 1
37 1 4 THR HB 1 5 GLU H . . 4.230 2.648 2.116 4.063 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR HB 1 8 LYS H . . 5.500 5.435 5.251 5.639 0.139 18 0 "[ . 1 . 2]" 1
39 1 4 THR MG 1 5 GLU H . . 6.520 3.466 1.914 3.974 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR MG 1 7 GLU H . . 6.520 5.184 4.740 5.324 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR MG 1 8 LYS H . . 6.520 4.473 4.009 5.141 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLU H 1 6 GLU H . . 3.580 2.946 2.781 3.070 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLU H 1 8 LYS QB . . 5.390 4.579 4.494 4.752 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLU H 1 8 LYS QD . . 6.380 5.697 4.622 5.807 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLU HA 1 8 LYS QB . . 4.610 2.677 2.565 2.973 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLU HA 1 9 ASN HD21 . . 5.500 5.190 4.634 5.520 0.020 18 0 "[ . 1 . 2]" 1
47 1 5 GLU HA 1 9 ASN HD22 . . 5.500 4.076 3.580 4.482 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLU H 1 6 GLU HB2 . . 4.040 2.346 2.095 3.576 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLU H 1 6 GLU QB . . 3.530 2.276 2.075 2.683 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLU H 1 6 GLU HB3 . . 4.040 3.492 2.772 3.592 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLU H 1 6 GLU QG . . 3.910 2.748 2.062 3.551 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLU H 1 7 GLU H . . 3.330 2.913 2.662 2.977 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLU HA 1 9 ASN H . . 3.890 3.327 3.155 3.532 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLU HA 1 9 ASN HB2 . . 4.200 2.764 2.712 2.898 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLU HA 1 9 ASN QB . . 3.570 2.731 2.681 2.857 . 0 0 "[ . 1 . 2]" 1
56 1 6 GLU HA 1 9 ASN HB3 . . 4.200 4.250 4.202 4.402 0.202 19 0 "[ . 1 . 2]" 1
57 1 6 GLU HA 1 9 ASN HD21 . . 5.500 1.945 1.831 2.059 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLU HA 1 9 ASN HD22 . . 5.500 2.915 2.754 3.148 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLU HB2 1 9 ASN HD21 . . 5.500 4.807 4.400 4.889 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLU HB2 1 9 ASN HD22 . . 5.500 5.415 5.255 5.614 0.114 19 0 "[ . 1 . 2]" 1
61 1 6 GLU HB3 1 9 ASN HD21 . . 5.500 4.373 3.782 4.518 . 0 0 "[ . 1 . 2]" 1
62 1 6 GLU HB3 1 9 ASN HD22 . . 5.500 5.454 4.498 5.615 0.115 19 0 "[ . 1 . 2]" 1
63 1 6 GLU HG2 1 9 ASN HD21 . . 5.500 3.455 2.988 5.426 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLU HG2 1 9 ASN HD22 . . 5.500 4.195 3.736 5.571 0.071 7 0 "[ . 1 . 2]" 1
65 1 6 GLU HG3 1 9 ASN HD21 . . 5.500 4.547 3.565 5.357 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLU HG3 1 9 ASN HD22 . . 5.500 5.162 4.325 5.611 0.111 18 0 "[ . 1 . 2]" 1
67 1 7 GLU H 1 7 GLU HB2 . . 4.140 2.327 2.114 2.600 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLU H 1 7 GLU QB . . 3.360 2.211 2.086 2.370 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLU H 1 7 GLU HB3 . . 4.140 2.962 2.452 3.580 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLU H 1 8 LYS H . . 3.610 2.752 2.439 2.814 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLU HA 1 10 ARG HB2 . . 3.760 3.407 3.154 3.539 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLU HA 1 10 ARG QB . . 3.290 3.044 2.976 3.094 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLU HA 1 10 ARG HB3 . . 3.760 3.443 3.304 3.647 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLU HA 1 10 ARG QD . . 6.380 4.477 3.899 5.056 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLU QB 1 8 LYS H . . 3.610 2.680 2.506 3.089 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLU QG 1 8 LYS H . . 6.380 4.066 3.410 4.572 . 0 0 "[ . 1 . 2]" 1
77 1 8 LYS H 1 8 LYS HG2 . . 5.500 4.334 2.883 4.452 . 0 0 "[ . 1 . 2]" 1
78 1 8 LYS H 1 8 LYS HG3 . . 5.500 4.605 4.028 4.710 . 0 0 "[ . 1 . 2]" 1
79 1 8 LYS H 1 9 ASN H . . 3.020 2.486 2.136 2.603 . 0 0 "[ . 1 . 2]" 1
80 1 8 LYS H 1 9 ASN QD . . 5.340 4.765 4.191 4.906 . 0 0 "[ . 1 . 2]" 1
81 1 8 LYS H 1 11 LEU MD1 . . 6.520 4.900 4.739 5.481 . 0 0 "[ . 1 . 2]" 1
82 1 8 LYS H 1 11 LEU MD2 . . 6.520 5.044 3.793 5.359 . 0 0 "[ . 1 . 2]" 1
83 1 8 LYS HA 1 10 ARG H . . 5.220 4.584 4.219 5.002 . 0 0 "[ . 1 . 2]" 1
84 1 8 LYS HA 1 11 LEU H . . 4.070 3.773 3.624 4.084 0.014 17 0 "[ . 1 . 2]" 1
85 1 8 LYS HA 1 11 LEU MD1 . . 6.430 3.081 2.402 4.163 . 0 0 "[ . 1 . 2]" 1
86 1 8 LYS HA 1 11 LEU MD2 . . 6.430 3.375 1.942 3.963 . 0 0 "[ . 1 . 2]" 1
87 1 8 LYS HA 1 12 ASN H . . 5.070 4.932 4.346 5.252 0.182 17 0 "[ . 1 . 2]" 1
88 1 8 LYS HA 1 12 ASN QD . . 5.340 4.279 3.787 4.561 . 0 0 "[ . 1 . 2]" 1
89 1 8 LYS QB 1 9 ASN H . . 4.770 2.932 2.751 3.591 . 0 0 "[ . 1 . 2]" 1
90 1 8 LYS QB 1 9 ASN HD21 . . 6.380 5.413 5.156 5.784 . 0 0 "[ . 1 . 2]" 1
91 1 8 LYS QB 1 9 ASN HD22 . . 6.380 4.859 4.456 5.390 . 0 0 "[ . 1 . 2]" 1
92 1 8 LYS QB 1 12 ASN QD . . 6.160 4.806 4.130 4.981 . 0 0 "[ . 1 . 2]" 1
93 1 8 LYS QD 1 9 ASN H . . 6.380 3.623 3.085 4.767 . 0 0 "[ . 1 . 2]" 1
94 1 8 LYS QD 1 9 ASN QD . . 6.160 4.388 3.974 4.862 . 0 0 "[ . 1 . 2]" 1
95 1 8 LYS QD 1 12 ASN QD . . 6.160 4.296 3.831 4.861 . 0 0 "[ . 1 . 2]" 1
96 1 8 LYS QG 1 12 ASN QD . . 4.760 3.141 2.750 3.602 . 0 0 "[ . 1 . 2]" 1
97 1 8 LYS HG2 1 9 ASN H . . 5.500 4.178 2.764 4.511 . 0 0 "[ . 1 . 2]" 1
98 1 8 LYS HG3 1 9 ASN H . . 5.500 5.119 3.635 5.471 . 0 0 "[ . 1 . 2]" 1
99 1 9 ASN H 1 9 ASN HB2 . . 3.670 2.556 2.500 2.694 . 0 0 "[ . 1 . 2]" 1
100 1 9 ASN H 1 9 ASN QB . . 3.200 2.506 2.456 2.622 . 0 0 "[ . 1 . 2]" 1
101 1 9 ASN H 1 9 ASN HB3 . . 3.670 3.614 3.593 3.676 0.006 17 0 "[ . 1 . 2]" 1
102 1 9 ASN H 1 9 ASN HD21 . . 5.500 3.670 3.407 3.748 . 0 0 "[ . 1 . 2]" 1
103 1 9 ASN H 1 9 ASN HD22 . . 5.500 4.036 3.816 4.154 . 0 0 "[ . 1 . 2]" 1
104 1 9 ASN H 1 10 ARG H . . 3.240 2.524 2.171 2.641 . 0 0 "[ . 1 . 2]" 1
105 1 9 ASN H 1 11 LEU MD1 . . 6.520 5.133 4.617 5.370 . 0 0 "[ . 1 . 2]" 1
106 1 9 ASN H 1 11 LEU MD2 . . 6.520 5.224 3.395 5.362 . 0 0 "[ . 1 . 2]" 1
107 1 9 ASN HA 1 9 ASN HD22 . . 5.500 4.755 4.699 4.855 . 0 0 "[ . 1 . 2]" 1
108 1 9 ASN HA 1 11 LEU H . . 4.910 3.994 3.615 4.157 . 0 0 "[ . 1 . 2]" 1
109 1 9 ASN HA 1 12 ASN H . . 4.040 3.276 3.073 3.516 . 0 0 "[ . 1 . 2]" 1
110 1 9 ASN HA 1 12 ASN QB . . 5.340 2.816 2.540 3.619 . 0 0 "[ . 1 . 2]" 1
111 1 9 ASN HA 1 12 ASN QD . . 5.340 3.698 3.170 4.745 . 0 0 "[ . 1 . 2]" 1
112 1 9 ASN HA 1 13 PHE H . . 4.350 3.983 3.725 4.137 . 0 0 "[ . 1 . 2]" 1
113 1 9 ASN QB 1 10 ARG H . . 3.620 2.485 2.231 2.896 . 0 0 "[ . 1 . 2]" 1
114 1 9 ASN QB 1 10 ARG HA . . 4.150 3.830 3.759 3.902 . 0 0 "[ . 1 . 2]" 1
115 1 9 ASN QB 1 11 LEU H . . 5.170 4.515 4.272 4.644 . 0 0 "[ . 1 . 2]" 1
116 1 9 ASN QB 1 13 PHE QB . . 4.760 3.813 3.546 3.889 . 0 0 "[ . 1 . 2]" 1
117 1 9 ASN QB 1 13 PHE QD . . 7.320 5.455 5.209 5.528 . 0 0 "[ . 1 . 2]" 1
118 1 9 ASN HB2 1 10 ARG HA . . 4.850 4.137 3.980 4.213 . 0 0 "[ . 1 . 2]" 1
119 1 9 ASN HB3 1 10 ARG HA . . 4.850 4.527 4.449 4.793 . 0 0 "[ . 1 . 2]" 1
120 1 9 ASN QD 1 10 ARG H . . 5.340 4.354 4.027 4.509 . 0 0 "[ . 1 . 2]" 1
121 1 10 ARG H 1 10 ARG QB . . 3.670 2.193 2.131 2.238 . 0 0 "[ . 1 . 2]" 1
122 1 10 ARG H 1 10 ARG HG2 . . 5.500 4.360 4.174 4.446 . 0 0 "[ . 1 . 2]" 1
123 1 10 ARG H 1 10 ARG HG3 . . 5.500 4.370 4.264 4.456 . 0 0 "[ . 1 . 2]" 1
124 1 10 ARG H 1 11 LEU H . . 3.480 2.768 2.616 2.805 . 0 0 "[ . 1 . 2]" 1
125 1 10 ARG HA 1 10 ARG HE . . 5.500 4.896 4.622 5.320 . 0 0 "[ . 1 . 2]" 1
126 1 10 ARG HA 1 13 PHE HB2 . . 3.980 3.891 3.721 4.068 0.088 17 0 "[ . 1 . 2]" 1
127 1 10 ARG HA 1 13 PHE QB . . 3.470 2.490 2.253 2.722 . 0 0 "[ . 1 . 2]" 1
128 1 10 ARG HA 1 13 PHE HB3 . . 3.980 2.520 2.271 2.768 . 0 0 "[ . 1 . 2]" 1
129 1 10 ARG HA 1 13 PHE QD . . 7.630 3.384 3.005 3.856 . 0 0 "[ . 1 . 2]" 1
130 1 10 ARG HA 1 13 PHE QE . . 7.630 5.530 5.168 5.916 . 0 0 "[ . 1 . 2]" 1
131 1 10 ARG HA 1 14 LEU H . . 3.890 3.714 3.499 3.953 0.063 17 0 "[ . 1 . 2]" 1
132 1 10 ARG QB 1 11 LEU H . . 3.790 2.747 2.602 3.148 . 0 0 "[ . 1 . 2]" 1
133 1 10 ARG HB2 1 10 ARG HE . . 5.500 3.921 2.549 5.109 . 0 0 "[ . 1 . 2]" 1
134 1 10 ARG HB2 1 11 LEU H . . 4.350 3.846 3.698 4.027 . 0 0 "[ . 1 . 2]" 1
135 1 10 ARG HB2 1 13 PHE QD . . 7.630 5.394 5.074 5.988 . 0 0 "[ . 1 . 2]" 1
136 1 10 ARG HB3 1 10 ARG HE . . 5.500 3.903 2.535 4.437 . 0 0 "[ . 1 . 2]" 1
137 1 10 ARG HB3 1 11 LEU H . . 4.350 2.817 2.644 3.286 . 0 0 "[ . 1 . 2]" 1
138 1 10 ARG HB3 1 13 PHE QD . . 7.630 5.813 5.275 6.260 . 0 0 "[ . 1 . 2]" 1
139 1 10 ARG QD 1 11 LEU H . . 6.380 4.129 3.693 4.691 . 0 0 "[ . 1 . 2]" 1
140 1 10 ARG QD 1 11 LEU MD1 . . 7.400 4.294 2.619 5.293 . 0 0 "[ . 1 . 2]" 1
141 1 10 ARG QD 1 11 LEU MD2 . . 7.400 3.711 2.453 5.544 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG QD 1 14 LEU H . . 6.380 4.974 3.755 5.752 . 0 0 "[ . 1 . 2]" 1
143 1 10 ARG HG2 1 13 PHE QD . . 7.630 3.586 2.831 4.214 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG HG2 1 13 PHE QE . . 7.630 5.299 4.341 5.970 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG HG3 1 13 PHE QD . . 7.630 4.537 3.973 4.832 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG HG3 1 13 PHE QE . . 7.630 5.880 5.450 6.268 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU H 1 11 LEU QB . . 3.570 2.488 2.060 2.716 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU H 1 11 LEU QD . . 5.180 2.356 1.803 2.535 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU H 1 11 LEU HG . . 4.350 2.854 1.946 4.381 0.031 14 0 "[ . 1 . 2]" 1
150 1 11 LEU H 1 12 ASN H . . 3.670 2.574 2.423 2.723 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU H 1 12 ASN QB . . 5.340 4.504 4.262 4.748 . 0 0 "[ . 1 . 2]" 1
152 1 11 LEU H 1 15 LYS QG . . 6.380 5.751 5.666 5.788 . 0 0 "[ . 1 . 2]" 1
153 1 11 LEU HA 1 14 LEU H . . 4.320 3.802 3.558 3.990 . 0 0 "[ . 1 . 2]" 1
154 1 11 LEU HA 1 14 LEU HB2 . . 4.010 3.449 2.816 3.836 . 0 0 "[ . 1 . 2]" 1
155 1 11 LEU HA 1 14 LEU QB . . 3.450 3.061 2.765 3.214 . 0 0 "[ . 1 . 2]" 1
156 1 11 LEU HA 1 14 LEU HB3 . . 4.010 3.630 3.283 4.108 0.098 20 0 "[ . 1 . 2]" 1
157 1 11 LEU HA 1 15 LYS H . . 4.040 4.110 4.050 4.197 0.157 14 0 "[ . 1 . 2]" 1
158 1 11 LEU QB 1 12 ASN H . . 3.350 2.677 2.447 2.798 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU QB 1 12 ASN QD . . 4.540 2.368 2.243 2.699 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU QD 1 12 ASN QD . . 5.600 3.559 2.988 3.676 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU MD1 1 12 ASN H . . 6.520 4.456 4.103 4.670 . 0 0 "[ . 1 . 2]" 1
162 1 11 LEU MD2 1 12 ASN H . . 6.520 4.340 3.113 4.545 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU HG 1 12 ASN H . . 4.820 4.303 3.745 5.077 0.257 19 0 "[ . 1 . 2]" 1
164 1 12 ASN H 1 12 ASN HB2 . . 3.450 2.327 2.266 2.811 . 0 0 "[ . 1 . 2]" 1
165 1 12 ASN H 1 12 ASN HB3 . . 3.450 3.564 3.542 3.570 0.120 19 0 "[ . 1 . 2]" 1
166 1 12 ASN H 1 12 ASN HD21 . . 5.500 2.031 1.852 2.782 . 0 0 "[ . 1 . 2]" 1
167 1 12 ASN H 1 12 ASN HD22 . . 5.500 3.663 3.214 3.800 . 0 0 "[ . 1 . 2]" 1
168 1 12 ASN H 1 13 PHE H . . 3.580 2.471 2.382 2.588 . 0 0 "[ . 1 . 2]" 1
169 1 12 ASN H 1 13 PHE HB2 . . 5.500 5.068 4.991 5.146 . 0 0 "[ . 1 . 2]" 1
170 1 12 ASN H 1 13 PHE QB . . 4.760 4.213 4.130 4.340 . 0 0 "[ . 1 . 2]" 1
171 1 12 ASN H 1 13 PHE HB3 . . 5.500 4.505 4.400 4.693 . 0 0 "[ . 1 . 2]" 1
172 1 12 ASN H 1 14 LEU H . . 3.890 4.018 3.952 4.110 0.220 17 0 "[ . 1 . 2]" 1
173 1 12 ASN HA 1 12 ASN HD22 . . 5.500 3.746 3.655 3.983 . 0 0 "[ . 1 . 2]" 1
174 1 12 ASN HA 1 15 LYS H . . 3.670 3.599 3.425 3.703 0.033 4 0 "[ . 1 . 2]" 1
175 1 12 ASN HA 1 15 LYS QB . . 5.340 3.083 2.729 4.094 . 0 0 "[ . 1 . 2]" 1
176 1 12 ASN HA 1 16 LYS H . . 4.850 4.036 3.912 4.142 . 0 0 "[ . 1 . 2]" 1
177 1 12 ASN QB 1 16 LYS H . . 5.340 4.760 4.665 4.917 . 0 0 "[ . 1 . 2]" 1
178 1 12 ASN HB2 1 13 PHE H . . 3.890 2.729 2.582 2.988 . 0 0 "[ . 1 . 2]" 1
179 1 12 ASN HB2 1 13 PHE HA . . 5.500 4.486 3.957 4.602 . 0 0 "[ . 1 . 2]" 1
180 1 12 ASN HB2 1 14 LEU H . . 5.500 5.127 4.948 5.198 . 0 0 "[ . 1 . 2]" 1
181 1 12 ASN HB3 1 13 PHE H . . 3.890 3.533 3.363 3.912 0.022 14 0 "[ . 1 . 2]" 1
182 1 12 ASN HB3 1 13 PHE HA . . 5.500 4.265 4.178 4.826 . 0 0 "[ . 1 . 2]" 1
183 1 12 ASN HB3 1 14 LEU H . . 5.500 5.563 5.500 5.661 0.161 14 0 "[ . 1 . 2]" 1
184 1 13 PHE H 1 13 PHE HB2 . . 3.480 2.742 2.672 2.849 . 0 0 "[ . 1 . 2]" 1
185 1 13 PHE H 1 13 PHE QB . . 3.040 2.221 2.202 2.238 . 0 0 "[ . 1 . 2]" 1
186 1 13 PHE H 1 13 PHE HB3 . . 3.480 2.349 2.304 2.399 . 0 0 "[ . 1 . 2]" 1
187 1 13 PHE H 1 14 LEU H . . 3.390 2.632 2.400 2.730 . 0 0 "[ . 1 . 2]" 1
188 1 13 PHE HA 1 17 ILE H . . 4.170 4.079 3.912 4.278 0.108 10 0 "[ . 1 . 2]" 1
189 1 13 PHE HA 1 17 ILE MD . . 6.520 4.801 4.722 4.904 . 0 0 "[ . 1 . 2]" 1
190 1 13 PHE HA 1 17 ILE MG . . 6.520 3.563 3.418 3.707 . 0 0 "[ . 1 . 2]" 1
191 1 13 PHE QB 1 14 LEU H . . 3.610 2.640 2.565 2.764 . 0 0 "[ . 1 . 2]" 1
192 1 13 PHE HB2 1 14 LEU H . . 4.230 3.999 3.956 4.074 . 0 0 "[ . 1 . 2]" 1
193 1 13 PHE HB2 1 14 LEU HA . . 5.500 5.612 5.591 5.637 0.137 10 0 "[ . 1 . 2]" 1
194 1 13 PHE HB2 1 16 LYS H . . 5.500 5.622 5.574 5.757 0.257 14 0 "[ . 1 . 2]" 1
195 1 13 PHE HB2 1 17 ILE MD . . 6.520 5.252 5.209 5.290 . 0 0 "[ . 1 . 2]" 1
196 1 13 PHE HB3 1 14 LEU H . . 4.230 2.679 2.599 2.812 . 0 0 "[ . 1 . 2]" 1
197 1 13 PHE HB3 1 14 LEU HA . . 5.500 4.466 4.406 4.520 . 0 0 "[ . 1 . 2]" 1
198 1 13 PHE HB3 1 16 LYS H . . 5.500 5.413 5.338 5.562 0.062 10 0 "[ . 1 . 2]" 1
199 1 13 PHE HB3 1 17 ILE MD . . 6.520 4.641 4.546 4.721 . 0 0 "[ . 1 . 2]" 1
200 1 13 PHE QD 1 14 LEU H . . 7.630 3.382 3.142 3.806 . 0 0 "[ . 1 . 2]" 1
201 1 13 PHE QD 1 14 LEU HA . . 7.630 3.616 3.351 4.129 . 0 0 "[ . 1 . 2]" 1
202 1 13 PHE QD 1 14 LEU MD1 . . 8.650 4.524 3.519 5.225 . 0 0 "[ . 1 . 2]" 1
203 1 13 PHE QD 1 14 LEU MD2 . . 8.650 3.992 2.995 5.277 . 0 0 "[ . 1 . 2]" 1
204 1 13 PHE QD 1 17 ILE HA . . 7.630 6.047 5.883 6.226 . 0 0 "[ . 1 . 2]" 1
205 1 13 PHE QD 1 17 ILE HB . . 7.630 5.641 5.497 5.786 . 0 0 "[ . 1 . 2]" 1
206 1 13 PHE QD 1 17 ILE MD . . 8.310 3.164 2.911 3.431 . 0 0 "[ . 1 . 2]" 1
207 1 13 PHE QD 1 17 ILE HG12 . . 7.630 4.481 4.289 4.642 . 0 0 "[ . 1 . 2]" 1
208 1 13 PHE QD 1 17 ILE HG13 . . 7.630 5.656 5.475 5.819 . 0 0 "[ . 1 . 2]" 1
209 1 13 PHE QD 1 17 ILE MG . . 8.590 2.990 2.783 3.125 . 0 0 "[ . 1 . 2]" 1
210 1 13 PHE QE 1 14 LEU H . . 7.630 5.325 5.128 5.566 . 0 0 "[ . 1 . 2]" 1
211 1 13 PHE QE 1 14 LEU HA . . 7.630 4.452 4.218 4.851 . 0 0 "[ . 1 . 2]" 1
212 1 13 PHE QE 1 14 LEU MD1 . . 8.650 4.992 3.734 5.887 . 0 0 "[ . 1 . 2]" 1
213 1 13 PHE QE 1 14 LEU MD2 . . 8.650 4.446 3.374 6.043 . 0 0 "[ . 1 . 2]" 1
214 1 13 PHE QE 1 17 ILE H . . 7.630 5.478 5.235 5.663 . 0 0 "[ . 1 . 2]" 1
215 1 13 PHE QE 1 17 ILE HA . . 7.630 5.804 5.605 6.038 . 0 0 "[ . 1 . 2]" 1
216 1 13 PHE QE 1 17 ILE HB . . 7.630 4.827 4.623 5.022 . 0 0 "[ . 1 . 2]" 1
217 1 13 PHE QE 1 17 ILE MD . . 7.880 2.636 2.379 2.927 . 0 0 "[ . 1 . 2]" 1
218 1 13 PHE QE 1 17 ILE HG12 . . 7.630 4.651 4.419 4.830 . 0 0 "[ . 1 . 2]" 1
219 1 13 PHE QE 1 17 ILE HG13 . . 7.630 5.298 5.071 5.519 . 0 0 "[ . 1 . 2]" 1
220 1 13 PHE QE 1 17 ILE MG . . 8.650 2.631 2.397 2.802 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU H 1 14 LEU HB2 . . 4.110 2.184 2.052 2.359 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU H 1 14 LEU QB . . 3.550 2.119 2.034 2.210 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU H 1 14 LEU HB3 . . 4.110 2.980 2.667 3.345 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU H 1 14 LEU MD1 . . 5.190 4.034 3.775 4.217 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU H 1 14 LEU QD . . 4.450 3.492 3.336 3.610 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU H 1 14 LEU MD2 . . 5.190 3.898 3.496 4.236 . 0 0 "[ . 1 . 2]" 1
227 1 14 LEU H 1 14 LEU HG . . 5.000 4.227 3.391 4.590 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU H 1 17 ILE MD . . 6.520 4.318 4.167 4.501 . 0 0 "[ . 1 . 2]" 1
229 1 14 LEU H 1 17 ILE QG . . 5.340 4.291 4.193 4.334 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU H 1 17 ILE MG . . 6.520 4.743 4.611 4.881 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU HA 1 17 ILE H . . 4.570 3.561 3.444 3.642 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU HA 1 17 ILE HB . . 5.040 5.048 4.856 5.111 0.071 4 0 "[ . 1 . 2]" 1
233 1 14 LEU HA 1 17 ILE MG . . 6.120 3.620 3.519 3.693 . 0 0 "[ . 1 . 2]" 1
234 1 14 LEU QB 1 17 ILE MD . . 6.290 4.049 3.913 4.219 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU QB 1 17 ILE QG . . 5.180 4.056 3.854 4.093 . 0 0 "[ . 1 . 2]" 1
236 1 14 LEU QD 1 18 SER QB . . 5.610 3.088 2.437 3.703 . 0 0 "[ . 1 . 2]" 1
237 1 15 LYS H 1 15 LYS QB . . 3.320 2.478 2.331 2.618 . 0 0 "[ . 1 . 2]" 1
238 1 15 LYS H 1 15 LYS QE . . 6.380 4.328 3.572 4.930 . 0 0 "[ . 1 . 2]" 1
239 1 15 LYS H 1 16 LYS H . . 3.580 2.495 2.441 2.555 . 0 0 "[ . 1 . 2]" 1
240 1 15 LYS H 1 17 ILE H . . 4.850 4.136 3.898 4.301 . 0 0 "[ . 1 . 2]" 1
241 1 15 LYS H 1 17 ILE QG . . 5.340 4.374 4.122 4.534 . 0 0 "[ . 1 . 2]" 1
242 1 15 LYS HA 1 19 GLN H . . 5.100 4.420 4.244 4.607 . 0 0 "[ . 1 . 2]" 1
243 1 15 LYS HA 1 19 GLN QE . . 5.340 3.643 3.199 3.921 . 0 0 "[ . 1 . 2]" 1
244 1 15 LYS HB2 1 19 GLN HE21 . . 5.500 4.696 3.305 5.518 0.018 18 0 "[ . 1 . 2]" 1
245 1 15 LYS HB2 1 19 GLN HE22 . . 5.500 4.917 3.210 5.526 0.026 6 0 "[ . 1 . 2]" 1
246 1 15 LYS HB3 1 19 GLN HE21 . . 5.500 4.048 3.231 5.529 0.029 17 0 "[ . 1 . 2]" 1
247 1 15 LYS HB3 1 19 GLN HE22 . . 5.500 4.012 3.288 5.501 0.001 10 0 "[ . 1 . 2]" 1
248 1 15 LYS QE 1 19 GLN QE . . 6.160 4.036 3.307 4.788 . 0 0 "[ . 1 . 2]" 1
249 1 15 LYS QG 1 19 GLN QE . . 6.160 4.901 4.684 4.978 . 0 0 "[ . 1 . 2]" 1
250 1 16 LYS H 1 17 ILE H . . 3.420 2.453 2.312 2.558 . 0 0 "[ . 1 . 2]" 1
251 1 16 LYS H 1 17 ILE MD . . 6.520 5.054 4.921 5.141 . 0 0 "[ . 1 . 2]" 1
252 1 16 LYS H 1 17 ILE QG . . 5.340 3.801 3.618 3.917 . 0 0 "[ . 1 . 2]" 1
253 1 16 LYS H 1 17 ILE MG . . 6.520 4.093 3.965 4.236 . 0 0 "[ . 1 . 2]" 1
254 1 16 LYS H 1 18 SER H . . 4.420 3.735 3.542 3.896 . 0 0 "[ . 1 . 2]" 1
255 1 16 LYS QB 1 17 ILE H . . 3.730 2.753 2.529 3.523 . 0 0 "[ . 1 . 2]" 1
256 1 16 LYS QG 1 17 ILE H . . 6.380 3.726 2.202 4.405 . 0 0 "[ . 1 . 2]" 1
257 1 16 LYS QG 1 18 SER H . . 6.380 5.310 4.291 5.736 . 0 0 "[ . 1 . 2]" 1
258 1 17 ILE H 1 17 ILE HB . . 3.520 3.672 3.646 3.700 0.180 7 0 "[ . 1 . 2]" 1
259 1 17 ILE H 1 17 ILE HG12 . . 4.760 2.068 1.957 2.129 . 0 0 "[ . 1 . 2]" 1
260 1 17 ILE H 1 17 ILE QG . . 4.130 2.047 1.940 2.104 . 0 0 "[ . 1 . 2]" 1
261 1 17 ILE H 1 17 ILE HG13 . . 4.760 3.276 3.206 3.318 . 0 0 "[ . 1 . 2]" 1
262 1 17 ILE H 1 18 SER H . . 3.420 2.264 2.160 2.378 . 0 0 "[ . 1 . 2]" 1
263 1 17 ILE H 1 19 GLN H . . 5.100 4.059 3.875 4.241 . 0 0 "[ . 1 . 2]" 1
264 1 17 ILE HA 1 19 GLN H . . 5.440 3.859 3.666 4.119 . 0 0 "[ . 1 . 2]" 1
265 1 17 ILE HA 1 20 ARG H . . 4.380 3.515 3.470 3.627 . 0 0 "[ . 1 . 2]" 1
266 1 17 ILE HA 1 20 ARG QB . . 5.050 4.001 3.099 4.387 . 0 0 "[ . 1 . 2]" 1
267 1 17 ILE HA 1 20 ARG QD . . 6.380 4.110 3.352 5.230 . 0 0 "[ . 1 . 2]" 1
268 1 17 ILE HA 1 20 ARG HE . . 5.500 3.731 1.944 4.922 . 0 0 "[ . 1 . 2]" 1
269 1 17 ILE HA 1 20 ARG QG . . 6.380 3.434 2.408 5.496 . 0 0 "[ . 1 . 2]" 1
270 1 17 ILE HA 1 21 TYR H . . 4.720 4.223 4.119 4.276 . 0 0 "[ . 1 . 2]" 1
271 1 17 ILE HA 1 21 TYR QD . . 7.630 5.884 4.946 6.112 . 0 0 "[ . 1 . 2]" 1
272 1 17 ILE HB 1 18 SER H . . 4.350 3.966 3.901 4.087 . 0 0 "[ . 1 . 2]" 1
273 1 17 ILE MD 1 18 SER H . . 6.520 3.953 3.871 4.121 . 0 0 "[ . 1 . 2]" 1
274 1 17 ILE MD 1 18 SER HA . . 6.520 4.509 4.456 4.637 . 0 0 "[ . 1 . 2]" 1
275 1 17 ILE MD 1 18 SER QB . . 6.290 4.522 4.395 4.674 . 0 0 "[ . 1 . 2]" 1
276 1 17 ILE MD 1 20 ARG HE . . 6.520 5.317 5.261 5.405 . 0 0 "[ . 1 . 2]" 1
277 1 17 ILE MD 1 21 TYR H . . 6.520 5.411 5.275 5.479 . 0 0 "[ . 1 . 2]" 1
278 1 17 ILE MD 1 21 TYR QD . . 8.650 4.129 3.017 4.480 . 0 0 "[ . 1 . 2]" 1
279 1 17 ILE MD 1 21 TYR QE . . 8.650 5.065 4.090 5.370 . 0 0 "[ . 1 . 2]" 1
280 1 17 ILE QG 1 18 SER HA . . 5.340 3.037 2.991 3.122 . 0 0 "[ . 1 . 2]" 1
281 1 17 ILE QG 1 18 SER QB . . 4.340 3.347 3.225 3.466 . 0 0 "[ . 1 . 2]" 1
282 1 17 ILE QG 1 19 GLN H . . 5.340 4.397 4.280 4.583 . 0 0 "[ . 1 . 2]" 1
283 1 17 ILE HG12 1 18 SER H . . 5.500 2.518 2.452 2.684 . 0 0 "[ . 1 . 2]" 1
284 1 17 ILE HG13 1 18 SER H . . 5.500 2.587 2.448 2.802 . 0 0 "[ . 1 . 2]" 1
285 1 17 ILE MG 1 18 SER H . . 5.770 3.899 3.861 3.974 . 0 0 "[ . 1 . 2]" 1
286 1 17 ILE MG 1 18 SER HA . . 6.520 5.398 5.385 5.426 . 0 0 "[ . 1 . 2]" 1
287 1 17 ILE MG 1 19 GLN H . . 6.520 5.221 5.075 5.429 . 0 0 "[ . 1 . 2]" 1
288 1 17 ILE MG 1 20 ARG HE . . 6.520 4.227 3.435 4.909 . 0 0 "[ . 1 . 2]" 1
289 1 17 ILE MG 1 21 TYR H . . 6.520 5.459 5.344 5.507 . 0 0 "[ . 1 . 2]" 1
290 1 17 ILE MG 1 21 TYR QD . . 8.650 5.511 4.234 5.745 . 0 0 "[ . 1 . 2]" 1
291 1 17 ILE MG 1 21 TYR QE . . 8.650 6.392 5.223 6.560 . 0 0 "[ . 1 . 2]" 1
292 1 18 SER H 1 18 SER HB2 . . 3.700 3.025 2.743 3.593 . 0 0 "[ . 1 . 2]" 1
293 1 18 SER H 1 18 SER QB . . 3.170 2.139 2.057 2.467 . 0 0 "[ . 1 . 2]" 1
294 1 18 SER H 1 18 SER HB3 . . 3.700 2.191 2.077 2.513 . 0 0 "[ . 1 . 2]" 1
295 1 18 SER H 1 19 GLN H . . 3.640 2.727 2.591 2.821 . 0 0 "[ . 1 . 2]" 1
296 1 18 SER H 1 21 TYR H . . 5.000 4.538 4.477 4.612 . 0 0 "[ . 1 . 2]" 1
297 1 18 SER HA 1 21 TYR H . . 4.760 3.045 2.968 3.134 . 0 0 "[ . 1 . 2]" 1
298 1 18 SER HA 1 21 TYR HB2 . . 3.980 3.147 2.980 3.338 . 0 0 "[ . 1 . 2]" 1
299 1 18 SER HA 1 21 TYR HB3 . . 3.980 2.984 2.825 3.258 . 0 0 "[ . 1 . 2]" 1
300 1 18 SER HA 1 21 TYR QD . . 7.630 4.693 4.600 4.893 . 0 0 "[ . 1 . 2]" 1
301 1 18 SER HA 1 21 TYR QE . . 7.630 6.793 6.721 6.990 . 0 0 "[ . 1 . 2]" 1
302 1 18 SER HA 1 22 GLN H . . 5.410 5.388 5.149 5.457 0.047 12 0 "[ . 1 . 2]" 1
303 1 18 SER QB 1 19 GLN H . . 3.910 3.043 2.835 3.613 . 0 0 "[ . 1 . 2]" 1
304 1 18 SER QB 1 19 GLN QE . . 5.180 3.783 3.367 4.195 . 0 0 "[ . 1 . 2]" 1
305 1 18 SER QB 1 21 TYR H . . 5.320 4.769 4.683 4.826 . 0 0 "[ . 1 . 2]" 1
306 1 18 SER QB 1 21 TYR QD . . 7.320 5.756 5.653 5.894 . 0 0 "[ . 1 . 2]" 1
307 1 19 GLN H 1 19 GLN HB2 . . 3.830 2.321 2.061 2.715 . 0 0 "[ . 1 . 2]" 1
308 1 19 GLN H 1 19 GLN HB3 . . 3.830 3.446 3.220 3.589 . 0 0 "[ . 1 . 2]" 1
309 1 19 GLN H 1 19 GLN QG . . 4.600 3.009 1.940 3.889 . 0 0 "[ . 1 . 2]" 1
310 1 19 GLN HA 1 19 GLN HE21 . . 5.500 3.943 2.986 4.419 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLN HA 1 19 GLN HE22 . . 5.500 4.126 3.598 5.032 . 0 0 "[ . 1 . 2]" 1
312 1 19 GLN HA 1 22 GLN QB . . 5.200 4.298 3.795 4.430 . 0 0 "[ . 1 . 2]" 1
313 1 19 GLN HB2 1 19 GLN HE22 . . 5.500 4.475 3.661 5.353 . 0 0 "[ . 1 . 2]" 1
314 1 19 GLN HB3 1 19 GLN HE22 . . 5.500 4.954 4.781 5.135 . 0 0 "[ . 1 . 2]" 1
315 1 20 ARG H 1 21 TYR H . . 3.480 2.112 1.982 2.250 . 0 0 "[ . 1 . 2]" 1
316 1 20 ARG HA 1 20 ARG HE . . 5.500 5.357 4.732 5.567 0.067 7 0 "[ . 1 . 2]" 1
317 1 20 ARG HA 1 21 TYR QD . . 7.630 5.554 5.351 6.235 . 0 0 "[ . 1 . 2]" 1
318 1 20 ARG HA 1 22 GLN H . . 4.380 4.216 3.862 4.418 0.038 19 0 "[ . 1 . 2]" 1
319 1 20 ARG QB 1 21 TYR H . . 4.860 3.298 2.687 3.571 . 0 0 "[ . 1 . 2]" 1
320 1 20 ARG QB 1 21 TYR QD . . 8.510 4.462 4.232 5.285 . 0 0 "[ . 1 . 2]" 1
321 1 20 ARG QB 1 21 TYR QE . . 8.510 6.128 5.876 6.545 . 0 0 "[ . 1 . 2]" 1
322 1 20 ARG QG 1 21 TYR H . . 6.380 2.561 2.114 3.615 . 0 0 "[ . 1 . 2]" 1
323 1 20 ARG QG 1 21 TYR QD . . 8.510 2.899 2.554 4.141 . 0 0 "[ . 1 . 2]" 1
324 1 20 ARG QG 1 21 TYR QE . . 8.520 4.704 4.447 5.194 . 0 0 "[ . 1 . 2]" 1
325 1 20 ARG QG 1 24 PHE QD . . 8.510 5.707 5.255 6.059 . 0 0 "[ . 1 . 2]" 1
326 1 20 ARG QG 1 24 PHE QE . . 8.510 6.384 6.183 6.674 . 0 0 "[ . 1 . 2]" 1
327 1 21 TYR H 1 21 TYR HB2 . . 3.240 2.208 2.120 2.256 . 0 0 "[ . 1 . 2]" 1
328 1 21 TYR H 1 21 TYR HB3 . . 3.240 3.155 3.087 3.292 0.052 7 0 "[ . 1 . 2]" 1
329 1 21 TYR HA 1 24 PHE HB2 . . 5.500 5.467 4.964 5.627 0.127 12 0 "[ . 1 . 2]" 1
330 1 21 TYR HA 1 24 PHE QB . . 4.840 3.778 3.243 4.037 . 0 0 "[ . 1 . 2]" 1
331 1 21 TYR HA 1 24 PHE HB3 . . 5.500 3.852 3.287 4.139 . 0 0 "[ . 1 . 2]" 1
332 1 21 TYR HA 1 24 PHE QE . . 7.630 3.940 3.027 4.361 . 0 0 "[ . 1 . 2]" 1
333 1 21 TYR QD 1 22 GLN QB . . 8.510 5.905 5.584 6.034 . 0 0 "[ . 1 . 2]" 1
334 1 21 TYR QD 1 22 GLN HG2 . . 7.630 6.726 5.987 6.999 . 0 0 "[ . 1 . 2]" 1
335 1 21 TYR QD 1 22 GLN HG3 . . 7.630 6.656 6.013 6.909 . 0 0 "[ . 1 . 2]" 1
336 1 21 TYR QD 1 23 LYS HG2 . . 7.630 5.210 4.153 5.527 . 0 0 "[ . 1 . 2]" 1
337 1 21 TYR QD 1 23 LYS HG3 . . 7.630 6.019 5.067 6.366 . 0 0 "[ . 1 . 2]" 1
338 1 21 TYR QE 1 22 GLN HA . . 7.630 7.026 6.790 7.136 . 0 0 "[ . 1 . 2]" 1
339 1 21 TYR QE 1 23 LYS HG2 . . 7.630 6.195 5.164 6.607 . 0 0 "[ . 1 . 2]" 1
340 1 21 TYR QE 1 23 LYS HG3 . . 7.630 6.445 5.470 6.689 . 0 0 "[ . 1 . 2]" 1
341 1 22 GLN H 1 22 GLN HG2 . . 5.340 4.058 3.200 4.629 . 0 0 "[ . 1 . 2]" 1
342 1 22 GLN H 1 22 GLN QG . . 4.700 3.424 2.416 3.989 . 0 0 "[ . 1 . 2]" 1
343 1 22 GLN H 1 22 GLN HG3 . . 5.340 3.734 2.500 4.417 . 0 0 "[ . 1 . 2]" 1
344 1 22 GLN H 1 23 LYS H . . 3.330 1.881 1.835 1.941 . 0 0 "[ . 1 . 2]" 1
345 1 22 GLN H 1 23 LYS QD . . 6.380 4.769 4.372 5.355 . 0 0 "[ . 1 . 2]" 1
346 1 22 GLN H 1 23 LYS HG2 . . 5.500 3.188 2.795 3.337 . 0 0 "[ . 1 . 2]" 1
347 1 22 GLN H 1 23 LYS HG3 . . 5.500 4.675 4.200 4.973 . 0 0 "[ . 1 . 2]" 1
348 1 22 GLN HA 1 26 LEU H . . 5.500 4.244 3.855 4.656 . 0 0 "[ . 1 . 2]" 1
349 1 22 GLN QB 1 23 LYS H . . 5.080 3.650 3.412 3.970 . 0 0 "[ . 1 . 2]" 1
350 1 22 GLN QE 1 26 LEU QD . . 5.600 2.233 1.679 3.239 . 0 0 "[ . 1 . 2]" 1
351 1 22 GLN QE 1 26 LEU HG . . 5.340 4.223 3.395 4.731 . 0 0 "[ . 1 . 2]" 1
352 1 22 GLN HG2 1 23 LYS H . . 5.500 4.905 4.491 5.271 . 0 0 "[ . 1 . 2]" 1
353 1 22 GLN HG3 1 23 LYS H . . 5.500 4.778 3.095 5.519 0.019 16 0 "[ . 1 . 2]" 1
354 1 23 LYS H 1 23 LYS QB . . 3.280 2.920 2.848 3.061 . 0 0 "[ . 1 . 2]" 1
355 1 23 LYS H 1 23 LYS HG2 . . 5.500 2.356 2.241 2.448 . 0 0 "[ . 1 . 2]" 1
356 1 23 LYS H 1 23 LYS HG3 . . 5.500 3.296 2.941 3.560 . 0 0 "[ . 1 . 2]" 1
357 1 23 LYS H 1 24 PHE H . . 3.480 1.868 1.771 2.191 . 0 0 "[ . 1 . 2]" 1
358 1 23 LYS H 1 24 PHE HB2 . . 5.220 5.312 5.257 5.358 0.138 12 0 "[ . 1 . 2]" 1
359 1 23 LYS H 1 24 PHE QB . . 4.570 3.815 3.664 3.910 . 0 0 "[ . 1 . 2]" 1
360 1 23 LYS H 1 24 PHE HB3 . . 5.220 3.911 3.739 4.025 . 0 0 "[ . 1 . 2]" 1
361 1 23 LYS HA 1 24 PHE H . . 3.450 3.424 3.017 3.522 0.072 8 0 "[ . 1 . 2]" 1
362 1 24 PHE H 1 24 PHE HB2 . . 3.640 3.584 3.562 3.704 0.064 2 0 "[ . 1 . 2]" 1
363 1 24 PHE H 1 24 PHE HB3 . . 3.640 2.392 2.322 2.756 . 0 0 "[ . 1 . 2]" 1
364 1 24 PHE H 1 25 ALA H . . 3.860 2.717 2.119 2.862 . 0 0 "[ . 1 . 2]" 1
365 1 24 PHE H 1 26 LEU H . . 5.500 4.215 3.517 4.840 . 0 0 "[ . 1 . 2]" 1
366 1 24 PHE HA 1 25 ALA H . . 3.480 3.503 3.484 3.535 0.055 15 0 "[ . 1 . 2]" 1
367 1 24 PHE QB 1 25 ALA H . . 4.430 3.489 3.382 3.541 . 0 0 "[ . 1 . 2]" 1
368 1 24 PHE HB2 1 25 ALA H . . 5.130 3.955 3.763 4.031 . 0 0 "[ . 1 . 2]" 1
369 1 24 PHE HB3 1 25 ALA H . . 5.130 3.881 3.831 3.940 . 0 0 "[ . 1 . 2]" 1
370 1 24 PHE QE 1 26 LEU HB2 . . 7.630 4.395 3.437 5.378 . 0 0 "[ . 1 . 2]" 1
371 1 24 PHE QE 1 26 LEU HB3 . . 7.630 5.451 4.849 6.056 . 0 0 "[ . 1 . 2]" 1
372 1 24 PHE QE 1 26 LEU HG . . 7.630 4.947 3.708 6.207 . 0 0 "[ . 1 . 2]" 1
373 1 24 PHE QE 1 28 GLN QB . . 8.510 6.598 6.031 7.054 . 0 0 "[ . 1 . 2]" 1
374 1 25 ALA H 1 26 LEU H . . 3.520 1.989 1.877 2.467 . 0 0 "[ . 1 . 2]" 1
375 1 25 ALA H 1 27 PRO HD2 . . 5.500 5.021 4.722 5.326 . 0 0 "[ . 1 . 2]" 1
376 1 25 ALA H 1 27 PRO HD3 . . 5.500 4.377 4.071 4.708 . 0 0 "[ . 1 . 2]" 1
377 1 25 ALA MB 1 26 LEU H . . 5.460 2.712 2.418 2.819 . 0 0 "[ . 1 . 2]" 1
378 1 25 ALA MB 1 29 TYR QD . . 8.650 6.014 5.363 6.468 . 0 0 "[ . 1 . 2]" 1
379 1 25 ALA MB 1 29 TYR QE . . 8.650 4.762 3.934 5.490 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU H 1 26 LEU HB2 . . 3.700 3.009 2.926 3.099 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU H 1 26 LEU HB3 . . 3.700 3.748 3.454 4.017 0.317 4 0 "[ . 1 . 2]" 1
382 1 26 LEU H 1 26 LEU HG . . 5.310 4.513 3.274 5.085 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU H 1 27 PRO HD2 . . 5.410 3.072 2.878 3.363 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU H 1 27 PRO HD3 . . 5.410 2.605 2.405 2.852 . 0 0 "[ . 1 . 2]" 1
385 1 26 LEU QB 1 28 GLN QE . . 4.760 3.680 3.123 3.857 . 0 0 "[ . 1 . 2]" 1
386 1 26 LEU HB2 1 27 PRO HD2 . . 5.500 4.650 4.505 4.831 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU HB2 1 27 PRO HD3 . . 5.500 4.932 4.856 4.990 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU HB2 1 29 TYR QE . . 7.630 4.680 2.988 6.209 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU HB3 1 27 PRO HD2 . . 5.500 4.740 4.436 4.837 . 0 0 "[ . 1 . 2]" 1
390 1 26 LEU HB3 1 27 PRO HD3 . . 5.500 4.942 4.844 5.010 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU HB3 1 29 TYR QE . . 7.630 3.450 1.994 6.737 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU QD 1 27 PRO QD . . 5.720 3.323 2.752 3.887 . 0 0 "[ . 1 . 2]" 1
393 1 26 LEU MD1 1 29 TYR QD . . 8.650 4.865 3.039 6.320 . 0 0 "[ . 1 . 2]" 1
394 1 26 LEU MD1 1 29 TYR QE . . 8.650 4.895 3.608 6.613 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU MD2 1 29 TYR QD . . 8.650 3.905 1.926 6.712 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU MD2 1 29 TYR QE . . 8.650 4.167 2.986 5.878 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU HG 1 28 GLN QE . . 5.340 2.927 1.909 4.515 . 0 0 "[ . 1 . 2]" 1
398 1 26 LEU HG 1 29 TYR QE . . 7.630 5.299 3.642 6.662 . 0 0 "[ . 1 . 2]" 1
399 1 27 PRO HA 1 28 GLN H . . 3.390 2.822 2.399 3.481 0.091 3 0 "[ . 1 . 2]" 1
400 1 27 PRO HD2 1 28 GLN H . . 5.500 4.042 2.679 4.930 . 0 0 "[ . 1 . 2]" 1
401 1 27 PRO HD3 1 28 GLN H . . 5.500 4.637 3.859 5.152 . 0 0 "[ . 1 . 2]" 1
402 1 28 GLN H 1 29 TYR H . . 3.550 2.557 1.891 3.719 0.169 11 0 "[ . 1 . 2]" 1
403 1 28 GLN QB 1 29 TYR H . . 5.200 3.601 1.914 4.047 . 0 0 "[ . 1 . 2]" 1
404 1 28 GLN QB 1 29 TYR QD . . 8.510 4.720 3.613 5.887 . 0 0 "[ . 1 . 2]" 1
405 1 28 GLN QB 1 29 TYR QE . . 8.510 5.893 4.731 6.966 . 0 0 "[ . 1 . 2]" 1
406 1 28 GLN QG 1 29 TYR H . . 6.380 3.679 1.901 4.750 . 0 0 "[ . 1 . 2]" 1
407 1 28 GLN QG 1 29 TYR QD . . 8.510 4.264 1.973 6.214 . 0 0 "[ . 1 . 2]" 1
408 1 28 GLN QG 1 29 TYR QE . . 8.520 5.348 2.708 6.848 . 0 0 "[ . 1 . 2]" 1
409 1 29 TYR H 1 29 TYR HB2 . . 4.200 3.430 2.162 4.077 . 0 0 "[ . 1 . 2]" 1
410 1 29 TYR H 1 29 TYR QB . . 3.650 2.901 2.142 3.336 . 0 0 "[ . 1 . 2]" 1
411 1 29 TYR H 1 29 TYR HB3 . . 4.200 3.387 2.262 4.102 . 0 0 "[ . 1 . 2]" 1
412 1 29 TYR QB 1 30 LEU H . . 4.030 2.754 1.873 3.660 . 0 0 "[ . 1 . 2]" 1
413 1 29 TYR HB2 1 30 LEU H . . 4.600 3.025 1.909 4.060 . 0 0 "[ . 1 . 2]" 1
414 1 29 TYR HB3 1 30 LEU H . . 4.600 3.519 2.094 4.355 . 0 0 "[ . 1 . 2]" 1
415 1 29 TYR QD 1 30 LEU HB2 . . 7.630 4.773 2.334 6.791 . 0 0 "[ . 1 . 2]" 1
416 1 29 TYR QD 1 30 LEU HB3 . . 7.630 5.038 2.269 6.913 . 0 0 "[ . 1 . 2]" 1
417 1 29 TYR QD 1 30 LEU HG . . 7.630 4.910 2.765 6.594 . 0 0 "[ . 1 . 2]" 1
418 1 29 TYR QE 1 30 LEU MD1 . . 8.650 4.920 2.552 6.498 . 0 0 "[ . 1 . 2]" 1
419 1 29 TYR QE 1 30 LEU MD2 . . 8.650 4.925 2.105 6.512 . 0 0 "[ . 1 . 2]" 1
420 1 30 LEU H 1 30 LEU HB2 . . 3.610 2.862 2.043 3.843 0.233 13 0 "[ . 1 . 2]" 1
421 1 30 LEU H 1 30 LEU HB3 . . 3.610 3.199 2.418 3.673 0.063 16 0 "[ . 1 . 2]" 1
422 1 30 LEU H 1 30 LEU HG . . 5.500 3.565 1.947 4.570 . 0 0 "[ . 1 . 2]" 1
423 1 30 LEU MD1 1 31 LYS H . . 6.520 4.114 2.061 5.065 . 0 0 "[ . 1 . 2]" 1
424 1 30 LEU MD2 1 31 LYS H . . 6.520 4.047 3.142 4.850 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 6:01:41 AM GMT (wattos1)