NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423324 |
2f3w   |
6908 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2f3w
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 331
_Distance_constraint_stats_list.Viol_count 485
_Distance_constraint_stats_list.Viol_total 174.021
_Distance_constraint_stats_list.Viol_max 0.469
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0299
_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 6 LYS 0.130 0.083 12 0 "[ . 1 ]"
1 7 LEU 0.084 0.042 12 0 "[ . 1 ]"
1 9 LYS 0.033 0.012 2 0 "[ . 1 ]"
1 10 GLU 0.004 0.004 4 0 "[ . 1 ]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 12 ALA 0.164 0.035 3 0 "[ . 1 ]"
1 13 THR 0.497 0.079 4 0 "[ . 1 ]"
1 14 LEU 0.185 0.032 4 0 "[ . 1 ]"
1 15 ILE 0.023 0.010 5 0 "[ . 1 ]"
1 16 LYS 0.017 0.014 9 0 "[ . 1 ]"
1 17 ALA 0.100 0.025 12 0 "[ . 1 ]"
1 18 ILE 0.431 0.130 11 0 "[ . 1 ]"
1 19 ASP 0.108 0.037 7 0 "[ . 1 ]"
1 20 GLY 0.128 0.028 7 0 "[ . 1 ]"
1 21 ASP 0.521 0.130 11 0 "[ . 1 ]"
1 22 THR 0.148 0.037 7 0 "[ . 1 ]"
1 23 VAL 0.130 0.020 12 0 "[ . 1 ]"
1 24 LYS 0.023 0.010 5 0 "[ . 1 ]"
1 25 LEU 0.383 0.032 4 0 "[ . 1 ]"
1 26 MET 0.027 0.016 8 0 "[ . 1 ]"
1 27 TYR 0.397 0.105 11 0 "[ . 1 ]"
1 28 LYS 0.017 0.011 9 0 "[ . 1 ]"
1 29 GLY 0.168 0.094 11 0 "[ . 1 ]"
1 30 GLN 0.248 0.105 11 0 "[ . 1 ]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 32 MET 0.002 0.001 2 0 "[ . 1 ]"
1 33 THR 0.092 0.021 11 0 "[ . 1 ]"
1 34 PHE 0.095 0.019 12 0 "[ . 1 ]"
1 35 ARG 0.032 0.014 3 0 "[ . 1 ]"
1 36 LEU 0.008 0.006 12 0 "[ . 1 ]"
1 37 LEU 0.036 0.018 7 0 "[ . 1 ]"
1 38 LEU 0.008 0.006 12 0 "[ . 1 ]"
1 39 VAL 0.011 0.010 8 0 "[ . 1 ]"
1 41 THR 0.039 0.013 3 0 "[ . 1 ]"
1 42 PRO 0.134 0.066 9 0 "[ . 1 ]"
1 43 GLU 0.005 0.005 2 0 "[ . 1 ]"
1 44 THR 0.145 0.066 9 0 "[ . 1 ]"
1 45 LYS 0.032 0.013 3 0 "[ . 1 ]"
1 46 HIS 0.121 0.051 9 0 "[ . 1 ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 49 LYS 0.097 0.051 9 0 "[ . 1 ]"
1 50 GLY 0.014 0.007 5 0 "[ . 1 ]"
1 51 VAL 0.755 0.173 7 0 "[ . 1 ]"
1 52 GLU 0.759 0.128 12 0 "[ . 1 ]"
1 53 LYS 1.539 0.257 3 0 "[ . 1 ]"
1 54 TYR 2.031 0.469 7 0 "[ . 1 ]"
1 55 GLY 0.993 0.128 12 0 "[ . 1 ]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 57 GLU 0.358 0.097 2 0 "[ . 1 ]"
1 58 ALA 2.175 0.469 7 0 "[ . 1 ]"
1 59 SER 0.249 0.074 6 0 "[ . 1 ]"
1 60 ALA 0.631 0.084 3 0 "[ . 1 ]"
1 61 PHE 1.325 0.226 7 0 "[ . 1 ]"
1 62 THR 0.282 0.069 10 0 "[ . 1 ]"
1 63 LYS 1.389 0.141 3 0 "[ . 1 ]"
1 64 LYS 0.497 0.226 7 0 "[ . 1 ]"
1 65 MET 0.182 0.063 6 0 "[ . 1 ]"
1 66 VAL 0.685 0.078 9 0 "[ . 1 ]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 68 ASN 0.403 0.055 11 0 "[ . 1 ]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 70 LYS 0.050 0.019 1 0 "[ . 1 ]"
1 71 LYS 0.011 0.005 10 0 "[ . 1 ]"
1 72 ILE 1.092 0.097 3 0 "[ . 1 ]"
1 73 GLU 0.464 0.079 4 0 "[ . 1 ]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 75 GLU 0.424 0.070 4 0 "[ . 1 ]"
1 76 PHE 0.059 0.032 3 0 "[ . 1 ]"
1 77 ASP 0.130 0.083 12 0 "[ . 1 ]"
1 78 LYS 0.076 0.042 12 0 "[ . 1 ]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 82 THR 0.369 0.091 8 0 "[ . 1 ]"
1 83 ASP 0.109 0.077 6 0 "[ . 1 ]"
1 84 LYS 0.281 0.050 8 0 "[ . 1 ]"
1 85 TYR 0.620 0.308 4 0 "[ . 1 ]"
1 86 GLY 0.185 0.077 6 0 "[ . 1 ]"
1 87 ARG 0.667 0.308 4 0 "[ . 1 ]"
1 88 GLY 0.066 0.016 3 0 "[ . 1 ]"
1 89 LEU 0.335 0.091 8 0 "[ . 1 ]"
1 91 TYR 0.020 0.012 11 0 "[ . 1 ]"
1 93 TYR 0.087 0.040 4 0 "[ . 1 ]"
1 94 ALA 0.604 0.097 3 0 "[ . 1 ]"
1 95 ASP 0.395 0.053 5 0 "[ . 1 ]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 97 LYS 0.351 0.053 5 0 "[ . 1 ]"
1 99 VAL 0.064 0.064 10 0 "[ . 1 ]"
1 101 GLU 0.140 0.109 10 0 "[ . 1 ]"
1 102 ALA 0.030 0.024 12 0 "[ . 1 ]"
1 103 LEU 0.587 0.109 10 0 "[ . 1 ]"
1 104 VAL 0.305 0.069 10 0 "[ . 1 ]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 106 GLN 0.155 0.058 10 0 "[ . 1 ]"
1 107 GLY 0.167 0.058 3 0 "[ . 1 ]"
1 108 LEU 0.722 0.188 9 0 "[ . 1 ]"
1 109 ALA 0.783 0.122 4 0 "[ . 1 ]"
1 110 LYS 0.568 0.077 8 0 "[ . 1 ]"
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 6 LYS HA 1 77 ASP H 4.000 . 5.600 5.483 4.715 5.683 0.083 12 0 "[ . 1 ]" 1
2 1 7 LEU HB2 1 76 PHE H 4.500 . 6.300 4.804 2.591 6.332 0.032 3 0 "[ . 1 ]" 1
3 1 7 LEU MD2 1 76 PHE H 5.000 . 6.500 4.319 1.871 6.058 . 0 0 "[ . 1 ]" 1
4 1 7 LEU MD2 1 78 LYS H 4.100 . 5.600 5.020 3.016 5.642 0.042 12 0 "[ . 1 ]" 1
5 1 9 LYS H 1 75 GLU HA 3.900 . 5.500 4.915 4.417 5.506 0.006 10 0 "[ . 1 ]" 1
6 1 9 LYS HA 1 75 GLU H 4.600 . 6.400 4.854 4.404 5.413 . 0 0 "[ . 1 ]" 1
7 1 9 LYS HA 1 76 PHE H 4.700 . 6.500 4.719 3.699 6.027 . 0 0 "[ . 1 ]" 1
8 1 9 LYS HG2 1 75 GLU H 3.900 . 5.500 5.107 4.026 5.512 0.012 2 0 "[ . 1 ]" 1
9 1 10 GLU H 1 27 TYR QE 5.000 . 6.500 5.428 4.317 6.169 . 0 0 "[ . 1 ]" 1
10 1 10 GLU H 1 73 GLU HA 5.000 . 6.800 4.686 4.335 5.051 . 0 0 "[ . 1 ]" 1
11 1 10 GLU H 1 73 GLU QG 3.900 . 5.400 4.301 2.603 5.399 . 0 0 "[ . 1 ]" 1
12 1 10 GLU H 1 74 VAL H 5.000 . 6.300 3.085 2.521 3.664 . 0 0 "[ . 1 ]" 1
13 1 10 GLU H 1 74 VAL MG2 5.000 . 6.500 3.835 1.966 5.190 . 0 0 "[ . 1 ]" 1
14 1 10 GLU H 1 76 PHE H 5.000 . 6.800 5.519 3.974 6.804 0.004 4 0 "[ . 1 ]" 1
15 1 11 PRO HA 1 74 VAL H 4.300 . 6.100 4.085 3.591 4.794 . 0 0 "[ . 1 ]" 1
16 1 12 ALA H 1 25 LEU MD2 3.900 . 5.400 5.251 4.834 5.421 0.021 8 0 "[ . 1 ]" 1
17 1 12 ALA H 1 72 ILE H 5.000 . 6.800 4.592 3.773 5.240 . 0 0 "[ . 1 ]" 1
18 1 12 ALA H 1 72 ILE MD 3.900 . 5.400 5.384 5.213 5.435 0.035 3 0 "[ . 1 ]" 1
19 1 12 ALA H 1 72 ILE MG 4.900 . 6.400 4.462 4.145 4.939 . 0 0 "[ . 1 ]" 1
20 1 12 ALA H 1 73 GLU H 5.000 . 6.800 4.351 4.092 4.697 . 0 0 "[ . 1 ]" 1
21 1 12 ALA H 1 73 GLU HA 4.000 . 5.800 2.004 1.834 2.203 . 0 0 "[ . 1 ]" 1
22 1 12 ALA H 1 73 GLU QG 3.900 . 5.400 4.276 2.945 5.171 . 0 0 "[ . 1 ]" 1
23 1 12 ALA H 1 74 VAL H 5.000 . 6.800 3.564 3.010 4.339 . 0 0 "[ . 1 ]" 1
24 1 12 ALA H 1 74 VAL MG2 5.000 . 6.500 4.876 3.444 6.162 . 0 0 "[ . 1 ]" 1
25 1 12 ALA HA 1 26 MET H 3.900 . 5.500 4.822 4.402 5.460 . 0 0 "[ . 1 ]" 1
26 1 13 THR H 1 25 LEU HA 4.100 . 5.900 5.597 5.118 5.904 0.004 10 0 "[ . 1 ]" 1
27 1 13 THR H 1 25 LEU HB3 3.900 . 5.500 5.105 4.465 5.510 0.010 12 0 "[ . 1 ]" 1
28 1 13 THR H 1 25 LEU MD1 4.700 . 6.200 6.188 5.999 6.221 0.021 4 0 "[ . 1 ]" 1
29 1 13 THR H 1 25 LEU MD2 5.000 . 6.500 3.894 3.559 4.627 . 0 0 "[ . 1 ]" 1
30 1 13 THR H 1 26 MET H 4.500 . 6.300 3.769 3.403 4.188 . 0 0 "[ . 1 ]" 1
31 1 13 THR H 1 26 MET HB2 3.900 . 5.500 4.809 3.538 5.503 0.003 2 0 "[ . 1 ]" 1
32 1 13 THR H 1 26 MET HB3 3.900 . 5.500 3.336 2.079 3.911 . 0 0 "[ . 1 ]" 1
33 1 13 THR H 1 26 MET HG2 3.900 . 5.500 5.100 4.089 5.503 0.003 9 0 "[ . 1 ]" 1
34 1 13 THR H 1 26 MET HG3 4.900 . 6.700 5.901 4.197 6.655 . 0 0 "[ . 1 ]" 1
35 1 13 THR HA 1 73 GLU H 4.100 . 5.900 5.933 5.912 5.979 0.079 4 0 "[ . 1 ]" 1
36 1 14 LEU H 1 25 LEU HA 5.000 . 6.800 4.342 3.869 4.616 . 0 0 "[ . 1 ]" 1
37 1 14 LEU H 1 25 LEU HB3 3.900 . 5.500 5.500 5.437 5.532 0.032 4 0 "[ . 1 ]" 1
38 1 14 LEU H 1 26 MET H 5.000 . 6.800 4.439 4.083 4.895 . 0 0 "[ . 1 ]" 1
39 1 14 LEU H 1 72 ILE MD 3.900 . 5.400 2.643 2.276 3.109 . 0 0 "[ . 1 ]" 1
40 1 14 LEU HA 1 26 MET H 4.500 . 6.300 2.600 1.946 3.085 . 0 0 "[ . 1 ]" 1
41 1 14 LEU HB3 1 25 LEU H 4.100 . 5.900 4.890 4.162 5.695 . 0 0 "[ . 1 ]" 1
42 1 14 LEU HB3 1 26 MET H 4.300 . 6.100 4.478 3.657 5.418 . 0 0 "[ . 1 ]" 1
43 1 14 LEU MD1 1 16 LYS H 3.900 . 5.400 4.447 2.680 5.414 0.014 9 0 "[ . 1 ]" 1
44 1 14 LEU MD1 1 17 ALA H 3.900 . 5.400 4.162 2.765 5.410 0.010 9 0 "[ . 1 ]" 1
45 1 14 LEU MD1 1 26 MET H 4.500 . 6.000 5.651 4.691 6.016 0.016 8 0 "[ . 1 ]" 1
46 1 15 ILE H 1 24 LYS H 3.900 . 5.500 5.168 4.639 5.510 0.010 5 0 "[ . 1 ]" 1
47 1 15 ILE H 1 25 LEU HA 5.000 . 6.800 3.244 2.425 3.657 . 0 0 "[ . 1 ]" 1
48 1 15 ILE H 1 26 MET H 5.000 . 6.800 3.872 3.196 4.372 . 0 0 "[ . 1 ]" 1
49 1 16 LYS H 1 24 LYS H 5.000 . 6.300 4.220 3.776 4.541 . 0 0 "[ . 1 ]" 1
50 1 16 LYS H 1 24 LYS HA 5.000 . 6.800 5.951 5.260 6.359 . 0 0 "[ . 1 ]" 1
51 1 16 LYS H 1 25 LEU H 5.000 . 6.800 6.232 5.721 6.713 . 0 0 "[ . 1 ]" 1
52 1 16 LYS H 1 25 LEU HA 5.000 . 6.800 4.986 4.411 5.404 . 0 0 "[ . 1 ]" 1
53 1 17 ALA H 1 24 LYS H 4.800 . 6.600 5.096 4.371 5.868 . 0 0 "[ . 1 ]" 1
54 1 17 ALA H 1 63 LYS QB 4.500 . 6.000 5.949 5.609 6.025 0.025 12 0 "[ . 1 ]" 1
55 1 17 ALA H 1 63 LYS HE3 5.000 . 6.800 6.322 5.617 6.801 0.001 8 0 "[ . 1 ]" 1
56 1 17 ALA H 1 66 VAL MG1 5.000 . 6.500 3.984 2.151 6.501 0.001 10 0 "[ . 1 ]" 1
57 1 17 ALA H 1 66 VAL MG2 3.900 . 5.400 3.413 1.941 4.742 . 0 0 "[ . 1 ]" 1
58 1 17 ALA MB 1 24 LYS H 3.900 . 5.400 3.632 2.796 4.662 . 0 0 "[ . 1 ]" 1
59 1 18 ILE H 1 22 THR HB 5.000 . 6.800 5.052 3.778 6.310 . 0 0 "[ . 1 ]" 1
60 1 18 ILE H 1 22 THR MG 5.000 . 6.500 5.128 2.293 6.439 . 0 0 "[ . 1 ]" 1
61 1 18 ILE H 1 23 VAL HA 3.900 . 5.500 3.137 2.476 3.676 . 0 0 "[ . 1 ]" 1
62 1 18 ILE H 1 23 VAL HB 4.700 . 6.500 5.154 3.190 6.508 0.008 5 0 "[ . 1 ]" 1
63 1 18 ILE H 1 24 LYS H 5.000 . 6.800 4.371 3.866 4.925 . 0 0 "[ . 1 ]" 1
64 1 18 ILE HA 1 21 ASP H 4.400 . 6.200 5.734 4.684 6.330 0.130 11 0 "[ . 1 ]" 1
65 1 18 ILE HA 1 22 THR H 4.800 . 6.600 5.755 5.127 6.290 . 0 0 "[ . 1 ]" 1
66 1 18 ILE HB 1 21 ASP H 4.200 . 6.000 4.236 2.729 5.932 . 0 0 "[ . 1 ]" 1
67 1 18 ILE HB 1 22 THR H 3.900 . 5.500 3.506 2.122 4.664 . 0 0 "[ . 1 ]" 1
68 1 18 ILE HG12 1 21 ASP H 4.300 . 6.100 4.960 3.348 6.100 . 0 0 "[ . 1 ]" 1
69 1 18 ILE HG12 1 22 THR H 3.900 . 5.500 4.331 2.507 5.504 0.004 3 0 "[ . 1 ]" 1
70 1 18 ILE MG 1 20 GLY H 5.000 . 6.500 3.694 2.052 6.382 . 0 0 "[ . 1 ]" 1
71 1 18 ILE MG 1 22 THR H 4.700 . 6.200 3.049 1.804 4.292 . 0 0 "[ . 1 ]" 1
72 1 19 ASP H 1 21 ASP H 4.200 . 6.000 3.503 3.319 3.742 . 0 0 "[ . 1 ]" 1
73 1 19 ASP H 1 22 THR H 4.600 . 6.100 3.831 3.065 4.578 . 0 0 "[ . 1 ]" 1
74 1 19 ASP H 1 22 THR HA 5.000 . 6.800 5.271 4.494 6.478 . 0 0 "[ . 1 ]" 1
75 1 19 ASP H 1 22 THR HB 4.200 . 6.000 5.663 5.140 6.037 0.037 7 0 "[ . 1 ]" 1
76 1 19 ASP H 1 22 THR MG 4.500 . 6.000 5.650 3.651 6.019 0.019 9 0 "[ . 1 ]" 1
77 1 19 ASP H 1 23 VAL HA 3.900 . 5.500 4.282 3.274 5.081 . 0 0 "[ . 1 ]" 1
78 1 19 ASP HA 1 21 ASP H 4.800 . 6.600 4.254 3.687 4.662 . 0 0 "[ . 1 ]" 1
79 1 19 ASP HA 1 22 THR H 4.700 . 6.500 5.602 4.771 6.426 . 0 0 "[ . 1 ]" 1
80 1 19 ASP QB 1 21 ASP H 4.500 . 6.000 3.977 2.612 5.194 . 0 0 "[ . 1 ]" 1
81 1 19 ASP QB 1 22 THR H 4.900 . 6.400 5.807 4.635 6.436 0.036 2 0 "[ . 1 ]" 1
82 1 19 ASP QB 1 59 SER H 5.000 . 6.500 4.446 3.128 6.357 . 0 0 "[ . 1 ]" 1
83 1 20 GLY H 1 22 THR H 4.400 . 6.200 5.055 3.551 5.604 . 0 0 "[ . 1 ]" 1
84 1 20 GLY H 1 58 ALA MB 5.000 . 6.500 4.763 3.421 6.169 . 0 0 "[ . 1 ]" 1
85 1 20 GLY H 1 59 SER HA 3.900 . 5.500 4.131 3.131 5.009 . 0 0 "[ . 1 ]" 1
86 1 20 GLY H 1 59 SER HB3 4.800 . 6.600 4.190 3.324 5.241 . 0 0 "[ . 1 ]" 1
87 1 20 GLY HA2 1 59 SER H 3.900 . 5.500 5.376 4.846 5.528 0.028 7 0 "[ . 1 ]" 1
88 1 20 GLY HA3 1 59 SER H 4.600 . 6.400 5.556 4.926 6.428 0.028 2 0 "[ . 1 ]" 1
89 1 21 ASP H 1 23 VAL MG1 4.900 . 6.400 6.004 4.461 6.420 0.020 12 0 "[ . 1 ]" 1
90 1 22 THR H 1 37 LEU H 4.700 . 6.500 6.194 4.916 6.518 0.018 7 0 "[ . 1 ]" 1
91 1 23 VAL H 1 34 PHE H 4.700 . 6.500 3.495 3.059 3.945 . 0 0 "[ . 1 ]" 1
92 1 23 VAL H 1 34 PHE HA 4.200 . 6.000 5.631 4.569 6.002 0.002 12 0 "[ . 1 ]" 1
93 1 23 VAL H 1 34 PHE QB 5.000 . 6.500 4.087 2.225 5.833 . 0 0 "[ . 1 ]" 1
94 1 23 VAL H 1 34 PHE QD 5.000 . 6.500 4.725 2.730 5.929 . 0 0 "[ . 1 ]" 1
95 1 23 VAL HB 1 34 PHE H 5.000 . 6.800 4.376 2.127 6.119 . 0 0 "[ . 1 ]" 1
96 1 23 VAL MG1 1 34 PHE H 3.900 . 5.400 4.313 2.095 5.418 0.018 2 0 "[ . 1 ]" 1
97 1 24 LYS QE 1 32 MET H 5.000 . 6.500 5.375 4.210 6.316 . 0 0 "[ . 1 ]" 1
98 1 24 LYS QG 1 26 MET H 4.400 . 5.900 5.511 4.970 5.900 . 0 0 "[ . 1 ]" 1
99 1 24 LYS QG 1 34 PHE H 4.900 . 6.400 5.393 4.471 6.350 . 0 0 "[ . 1 ]" 1
100 1 25 LEU H 1 31 PRO HA 4.500 . 6.300 4.144 3.464 4.911 . 0 0 "[ . 1 ]" 1
101 1 25 LEU H 1 33 THR HA 4.300 . 6.100 3.639 2.972 4.345 . 0 0 "[ . 1 ]" 1
102 1 25 LEU H 1 33 THR MG 3.900 . 5.400 5.292 4.898 5.421 0.021 11 0 "[ . 1 ]" 1
103 1 25 LEU H 1 34 PHE H 4.600 . 6.400 4.677 4.262 5.370 . 0 0 "[ . 1 ]" 1
104 1 25 LEU H 1 34 PHE QD 5.000 . 6.500 6.125 5.013 6.519 0.019 12 0 "[ . 1 ]" 1
105 1 25 LEU HA 1 27 TYR H 5.000 . 6.800 5.540 5.369 5.789 . 0 0 "[ . 1 ]" 1
106 1 25 LEU HB2 1 34 PHE H 3.900 . 5.500 5.351 4.790 5.511 0.011 12 0 "[ . 1 ]" 1
107 1 25 LEU MD1 1 27 TYR H 5.000 . 6.500 6.246 5.857 6.466 . 0 0 "[ . 1 ]" 1
108 1 25 LEU MD1 1 32 MET H 3.900 . 5.500 5.004 4.716 5.133 . 0 0 "[ . 1 ]" 1
109 1 26 MET HA 1 29 GLY H 4.200 . 6.000 4.370 4.083 4.920 . 0 0 "[ . 1 ]" 1
110 1 26 MET HG2 1 29 GLY H 3.900 . 5.500 3.416 2.365 4.778 . 0 0 "[ . 1 ]" 1
111 1 26 MET HG3 1 29 GLY H 3.900 . 5.500 3.252 2.433 3.979 . 0 0 "[ . 1 ]" 1
112 1 26 MET HG3 1 30 GLN H 3.900 . 5.500 4.438 3.285 5.250 . 0 0 "[ . 1 ]" 1
113 1 27 TYR H 1 29 GLY H 5.000 . 6.700 3.790 3.409 4.537 . 0 0 "[ . 1 ]" 1
114 1 27 TYR H 1 29 GLY HA2 5.000 . 6.800 4.974 4.655 5.339 . 0 0 "[ . 1 ]" 1
115 1 27 TYR H 1 30 GLN H 4.800 . 6.000 3.123 2.383 3.690 . 0 0 "[ . 1 ]" 1
116 1 27 TYR H 1 30 GLN HB3 3.900 . 5.500 3.769 3.332 4.186 . 0 0 "[ . 1 ]" 1
117 1 27 TYR H 1 32 MET H 4.700 . 6.500 3.350 2.677 3.837 . 0 0 "[ . 1 ]" 1
118 1 27 TYR H 1 32 MET HA 5.000 . 6.800 5.579 4.642 6.520 . 0 0 "[ . 1 ]" 1
119 1 27 TYR HA 1 29 GLY H 3.900 . 5.500 4.066 3.761 4.442 . 0 0 "[ . 1 ]" 1
120 1 27 TYR HB2 1 30 GLN H 4.700 . 6.500 5.078 4.672 5.396 . 0 0 "[ . 1 ]" 1
121 1 27 TYR HB3 1 30 GLN H 4.800 . 6.600 3.837 3.387 4.159 . 0 0 "[ . 1 ]" 1
122 1 27 TYR HD1 1 29 GLY H 5.000 . 6.800 6.203 5.212 6.894 0.094 11 0 "[ . 1 ]" 1
123 1 27 TYR HD1 1 30 GLN H 4.800 . 6.600 6.098 3.853 6.705 0.105 11 0 "[ . 1 ]" 1
124 1 28 LYS H 1 30 GLN H 5.000 . 6.700 4.110 3.953 4.361 . 0 0 "[ . 1 ]" 1
125 1 28 LYS HB2 1 30 GLN H 3.900 . 5.500 4.535 3.291 5.461 . 0 0 "[ . 1 ]" 1
126 1 28 LYS HB3 1 30 GLN H 3.900 . 5.500 4.310 3.294 5.504 0.004 4 0 "[ . 1 ]" 1
127 1 28 LYS HG2 1 30 GLN H 3.900 . 5.500 5.021 3.517 5.511 0.011 9 0 "[ . 1 ]" 1
128 1 30 GLN H 1 32 MET H 5.000 . 6.800 5.415 4.987 5.979 . 0 0 "[ . 1 ]" 1
129 1 30 GLN HA 1 32 MET H 3.900 . 5.500 5.353 5.020 5.501 0.001 2 0 "[ . 1 ]" 1
130 1 30 GLN QG 1 32 MET H 5.000 . 6.500 4.452 3.823 5.241 . 0 0 "[ . 1 ]" 1
131 1 30 GLN QG 1 33 THR H 4.600 . 6.100 5.855 5.474 6.101 0.001 11 0 "[ . 1 ]" 1
132 1 33 THR H 1 85 TYR QD 5.000 . 6.500 5.746 4.732 6.509 0.009 1 0 "[ . 1 ]" 1
133 1 33 THR H 1 85 TYR QE 4.500 . 6.300 5.485 4.865 6.260 . 0 0 "[ . 1 ]" 1
134 1 33 THR H 1 87 ARG HA 3.900 . 5.500 5.217 4.452 5.512 0.012 10 0 "[ . 1 ]" 1
135 1 33 THR MG 1 88 GLY H 4.200 . 6.000 4.998 4.450 5.543 . 0 0 "[ . 1 ]" 1
136 1 34 PHE HA 1 88 GLY H 4.000 . 5.800 5.284 4.305 5.813 0.013 10 0 "[ . 1 ]" 1
137 1 35 ARG H 1 88 GLY H 3.900 . 5.500 5.039 4.236 5.514 0.014 3 0 "[ . 1 ]" 1
138 1 35 ARG H 1 88 GLY HA3 5.000 . 6.800 3.696 3.033 5.128 . 0 0 "[ . 1 ]" 1
139 1 36 LEU MD1 1 38 LEU H 4.900 . 6.400 6.080 5.617 6.406 0.006 12 0 "[ . 1 ]" 1
140 1 36 LEU MD1 1 88 GLY H 5.000 . 6.500 4.786 3.686 6.474 . 0 0 "[ . 1 ]" 1
141 1 36 LEU MD1 1 89 LEU H 4.600 . 6.100 5.440 4.502 6.062 . 0 0 "[ . 1 ]" 1
142 1 39 VAL H 1 41 THR H 5.000 . 6.800 6.324 5.943 6.672 . 0 0 "[ . 1 ]" 1
143 1 39 VAL HB 1 41 THR H 3.900 . 5.500 4.938 4.059 5.496 . 0 0 "[ . 1 ]" 1
144 1 39 VAL MG1 1 41 THR H 3.900 . 5.400 4.095 3.063 5.410 0.010 8 0 "[ . 1 ]" 1
145 1 41 THR H 1 45 LYS HA 3.900 . 5.500 4.916 3.635 5.513 0.013 3 0 "[ . 1 ]" 1
146 1 41 THR HA 1 43 GLU H 4.400 . 6.200 3.957 3.203 4.797 . 0 0 "[ . 1 ]" 1
147 1 41 THR HA 1 44 THR H 4.400 . 6.200 4.518 3.263 5.215 . 0 0 "[ . 1 ]" 1
148 1 41 THR MG 1 43 GLU H 4.300 . 6.100 4.173 2.102 5.446 . 0 0 "[ . 1 ]" 1
149 1 42 PRO HA 1 44 THR H 3.300 . 4.900 4.646 3.715 4.966 0.066 9 0 "[ . 1 ]" 1
150 1 43 GLU H 1 45 LYS H 4.300 . 6.100 4.747 2.744 6.105 0.005 2 0 "[ . 1 ]" 1
151 1 44 THR H 1 46 HIS H 4.600 . 6.400 5.411 4.151 6.410 0.010 12 0 "[ . 1 ]" 1
152 1 46 HIS HA 1 48 LYS H 3.500 . 5.100 3.719 3.044 4.520 . 0 0 "[ . 1 ]" 1
153 1 46 HIS HA 1 49 LYS H 3.400 . 5.000 4.614 3.572 5.051 0.051 9 0 "[ . 1 ]" 1
154 1 46 HIS HA 1 50 GLY H 3.700 . 5.300 4.531 3.455 5.307 0.007 5 0 "[ . 1 ]" 1
155 1 51 VAL H 1 54 TYR H 3.200 . 4.800 4.772 4.128 4.973 0.173 7 0 "[ . 1 ]" 1
156 1 51 VAL MG1 1 53 LYS H 3.900 . 5.400 4.691 3.480 5.492 0.092 1 0 "[ . 1 ]" 1
157 1 51 VAL MG2 1 54 TYR H 3.900 . 5.500 4.634 2.724 5.142 . 0 0 "[ . 1 ]" 1
158 1 51 VAL MG2 1 110 LYS H 5.000 . 6.500 5.920 3.876 6.559 0.059 5 0 "[ . 1 ]" 1
159 1 52 GLU H 1 55 GLY H 3.900 . 5.500 3.992 3.089 4.699 . 0 0 "[ . 1 ]" 1
160 1 52 GLU H 1 55 GLY HA3 3.400 . 5.000 4.988 4.595 5.128 0.128 12 0 "[ . 1 ]" 1
161 1 52 GLU H 1 110 LYS H 5.000 . 6.800 5.938 4.423 6.848 0.048 4 0 "[ . 1 ]" 1
162 1 52 GLU QG 1 54 TYR H 4.400 . 5.900 5.376 4.113 5.944 0.044 3 0 "[ . 1 ]" 1
163 1 53 LYS H 1 108 LEU H 4.500 . 6.300 6.285 5.798 6.488 0.188 9 0 "[ . 1 ]" 1
164 1 53 LYS H 1 109 ALA H 3.900 . 5.500 5.022 4.095 5.573 0.073 1 0 "[ . 1 ]" 1
165 1 53 LYS QB 1 58 ALA H 3.900 . 5.400 5.182 4.079 5.657 0.257 3 0 "[ . 1 ]" 1
166 1 54 TYR H 1 58 ALA H 3.000 . 4.600 4.633 4.384 4.812 0.212 7 0 "[ . 1 ]" 1
167 1 54 TYR HB3 1 57 GLU H 4.900 . 6.700 4.940 2.676 6.797 0.097 2 0 "[ . 1 ]" 1
168 1 54 TYR HD1 1 58 ALA H 4.900 . 6.700 5.647 2.991 7.169 0.469 7 0 "[ . 1 ]" 1
169 1 54 TYR HD1 1 110 LYS H 4.900 . 6.700 5.921 4.097 6.724 0.024 2 0 "[ . 1 ]" 1
170 1 55 GLY H 1 109 ALA H 4.200 . 6.000 5.862 5.175 6.122 0.122 4 0 "[ . 1 ]" 1
171 1 55 GLY H 1 110 LYS H 4.800 . 6.600 4.920 3.409 6.631 0.031 3 0 "[ . 1 ]" 1
172 1 56 PRO HA 1 59 SER H 4.100 . 5.900 4.193 3.501 4.665 . 0 0 "[ . 1 ]" 1
173 1 56 PRO HA 1 60 ALA H 5.000 . 6.800 4.780 3.953 5.861 . 0 0 "[ . 1 ]" 1
174 1 57 GLU H 1 59 SER H 4.300 . 6.100 4.108 3.611 4.842 . 0 0 "[ . 1 ]" 1
175 1 57 GLU HA 1 60 ALA H 4.300 . 6.100 3.285 2.807 3.589 . 0 0 "[ . 1 ]" 1
176 1 57 GLU QB 1 60 ALA H 3.900 . 5.400 4.690 4.304 5.236 . 0 0 "[ . 1 ]" 1
177 1 57 GLU QB 1 61 PHE H 3.900 . 5.400 4.637 4.024 5.407 0.007 5 0 "[ . 1 ]" 1
178 1 57 GLU HB3 1 59 SER H 4.500 . 6.300 5.095 4.763 5.629 . 0 0 "[ . 1 ]" 1
179 1 57 GLU QG 1 59 SER H 5.000 . 6.500 5.700 5.144 6.251 . 0 0 "[ . 1 ]" 1
180 1 57 GLU QG 1 60 ALA H 3.900 . 5.400 5.068 4.036 5.429 0.029 4 0 "[ . 1 ]" 1
181 1 57 GLU QG 1 61 PHE H 5.000 . 6.500 5.104 3.265 6.281 . 0 0 "[ . 1 ]" 1
182 1 58 ALA H 1 60 ALA H 3.900 . 5.500 4.320 4.012 4.730 . 0 0 "[ . 1 ]" 1
183 1 58 ALA H 1 61 PHE HB3 4.000 . 5.800 5.670 4.981 5.822 0.022 3 0 "[ . 1 ]" 1
184 1 58 ALA H 1 110 LYS H 3.900 . 5.500 5.117 3.734 5.577 0.077 8 0 "[ . 1 ]" 1
185 1 58 ALA HA 1 62 THR H 4.000 . 5.800 4.749 2.628 5.809 0.009 5 0 "[ . 1 ]" 1
186 1 59 SER H 1 61 PHE H 4.100 . 5.900 4.137 3.697 4.654 . 0 0 "[ . 1 ]" 1
187 1 59 SER H 1 61 PHE HB3 4.800 . 6.600 5.381 4.758 6.561 . 0 0 "[ . 1 ]" 1
188 1 59 SER H 1 103 LEU MD2 4.900 . 6.400 5.893 4.909 6.474 0.074 6 0 "[ . 1 ]" 1
189 1 59 SER HA 1 61 PHE H 4.000 . 5.800 4.348 3.877 5.165 . 0 0 "[ . 1 ]" 1
190 1 59 SER HA 1 63 LYS H 3.900 . 5.500 4.048 3.761 4.670 . 0 0 "[ . 1 ]" 1
191 1 60 ALA H 1 62 THR H 5.000 . 6.800 4.526 4.071 5.029 . 0 0 "[ . 1 ]" 1
192 1 60 ALA H 1 63 LYS H 4.600 . 5.500 4.446 4.132 4.802 . 0 0 "[ . 1 ]" 1
193 1 60 ALA H 1 63 LYS HA 4.700 . 6.500 6.546 6.522 6.584 0.084 3 0 "[ . 1 ]" 1
194 1 60 ALA H 1 63 LYS QB 5.000 . 6.500 3.922 3.603 4.392 . 0 0 "[ . 1 ]" 1
195 1 60 ALA H 1 63 LYS HE3 3.900 . 5.500 5.072 4.528 5.506 0.006 5 0 "[ . 1 ]" 1
196 1 60 ALA H 1 103 LEU MD2 5.000 . 6.500 5.892 4.680 6.507 0.007 12 0 "[ . 1 ]" 1
197 1 60 ALA HA 1 64 LYS H 3.900 . 5.500 3.999 3.224 4.982 . 0 0 "[ . 1 ]" 1
198 1 61 PHE H 1 64 LYS H 5.000 . 6.800 4.821 4.683 5.080 . 0 0 "[ . 1 ]" 1
199 1 61 PHE H 1 64 LYS QB 4.000 . 5.500 5.113 4.821 5.522 0.022 6 0 "[ . 1 ]" 1
200 1 61 PHE H 1 65 MET H 4.500 . 6.300 6.289 6.132 6.363 0.063 6 0 "[ . 1 ]" 1
201 1 61 PHE H 1 103 LEU MD2 4.900 . 6.400 4.328 3.067 5.484 . 0 0 "[ . 1 ]" 1
202 1 61 PHE H 1 103 LEU HG 3.500 . 5.100 4.736 3.162 5.103 0.003 12 0 "[ . 1 ]" 1
203 1 61 PHE H 1 108 LEU MD2 5.000 . 6.500 5.722 4.262 6.566 0.066 9 0 "[ . 1 ]" 1
204 1 61 PHE HA 1 64 LYS H 5.000 . 6.800 3.974 3.344 4.583 . 0 0 "[ . 1 ]" 1
205 1 61 PHE QB 1 63 LYS H 5.000 . 6.500 4.385 4.045 4.745 . 0 0 "[ . 1 ]" 1
206 1 61 PHE QB 1 64 LYS H 4.900 . 6.400 5.116 4.652 5.325 . 0 0 "[ . 1 ]" 1
207 1 61 PHE QD 1 102 ALA H 5.000 . 6.500 5.927 4.810 6.524 0.024 12 0 "[ . 1 ]" 1
208 1 61 PHE HD1 1 63 LYS H 5.000 . 6.800 6.523 5.932 6.941 0.141 3 0 "[ . 1 ]" 1
209 1 61 PHE HD1 1 64 LYS H 4.700 . 6.500 6.194 5.186 6.726 0.226 7 0 "[ . 1 ]" 1
210 1 62 THR H 1 64 LYS H 5.000 . 6.800 4.024 3.767 4.348 . 0 0 "[ . 1 ]" 1
211 1 62 THR H 1 104 VAL MG2 4.200 . 5.700 5.609 4.922 5.769 0.069 10 0 "[ . 1 ]" 1
212 1 62 THR HA 1 65 MET H 4.500 . 6.300 3.030 2.799 3.281 . 0 0 "[ . 1 ]" 1
213 1 63 LYS H 1 66 VAL H 3.900 . 5.500 5.154 4.697 5.501 0.001 8 0 "[ . 1 ]" 1
214 1 63 LYS H 1 66 VAL MG1 3.900 . 5.400 5.089 3.008 5.453 0.053 3 0 "[ . 1 ]" 1
215 1 63 LYS H 1 66 VAL MG2 3.900 . 5.400 4.590 3.863 5.478 0.078 9 0 "[ . 1 ]" 1
216 1 64 LYS H 1 66 VAL H 4.700 . 6.500 3.788 3.551 4.008 . 0 0 "[ . 1 ]" 1
217 1 64 LYS H 1 68 ASN H 3.900 . 5.500 5.295 4.680 5.528 0.028 6 0 "[ . 1 ]" 1
218 1 64 LYS H 1 69 ALA MB 3.900 . 5.500 5.202 5.164 5.239 . 0 0 "[ . 1 ]" 1
219 1 64 LYS QB 1 66 VAL H 3.900 . 5.400 4.407 4.294 4.512 . 0 0 "[ . 1 ]" 1
220 1 65 MET QG 1 69 ALA H 5.000 . 6.500 5.515 4.866 5.994 . 0 0 "[ . 1 ]" 1
221 1 66 VAL H 1 69 ALA MB 4.000 . 5.800 3.486 2.921 4.023 . 0 0 "[ . 1 ]" 1
222 1 66 VAL HA 1 69 ALA H 4.500 . 6.300 4.642 4.029 5.213 . 0 0 "[ . 1 ]" 1
223 1 66 VAL HB 1 68 ASN H 4.400 . 6.200 6.163 5.435 6.255 0.055 11 0 "[ . 1 ]" 1
224 1 66 VAL MG1 1 68 ASN H 5.000 . 6.500 5.721 3.845 6.367 . 0 0 "[ . 1 ]" 1
225 1 66 VAL MG1 1 69 ALA H 5.000 . 6.500 5.508 4.585 5.920 . 0 0 "[ . 1 ]" 1
226 1 66 VAL MG2 1 68 ASN H 5.000 . 6.500 4.672 4.043 6.284 . 0 0 "[ . 1 ]" 1
227 1 66 VAL MG2 1 69 ALA H 5.000 . 6.500 4.996 4.483 6.293 . 0 0 "[ . 1 ]" 1
228 1 67 GLU H 1 69 ALA H 5.000 . 6.800 3.462 3.191 3.933 . 0 0 "[ . 1 ]" 1
229 1 67 GLU HA 1 69 ALA H 4.700 . 6.500 4.439 3.908 5.125 . 0 0 "[ . 1 ]" 1
230 1 68 ASN HB3 1 70 LYS H 5.000 . 6.800 6.274 4.959 6.807 0.007 9 0 "[ . 1 ]" 1
231 1 69 ALA H 1 71 LYS H 5.000 . 6.800 6.159 4.970 6.607 . 0 0 "[ . 1 ]" 1
232 1 69 ALA HA 1 71 LYS H 3.900 . 5.500 4.760 3.902 5.405 . 0 0 "[ . 1 ]" 1
233 1 69 ALA MB 1 71 LYS H 3.900 . 5.500 3.571 3.406 3.964 . 0 0 "[ . 1 ]" 1
234 1 69 ALA MB 1 95 ASP H 5.000 . 6.500 5.743 4.901 6.386 . 0 0 "[ . 1 ]" 1
235 1 70 LYS H 1 72 ILE MD 5.000 . 6.500 4.913 3.888 6.497 . 0 0 "[ . 1 ]" 1
236 1 70 LYS H 1 72 ILE QG 5.000 . 6.500 5.263 4.567 6.041 . 0 0 "[ . 1 ]" 1
237 1 70 LYS H 1 95 ASP H 5.000 . 6.800 6.281 5.625 6.819 0.019 1 0 "[ . 1 ]" 1
238 1 71 LYS H 1 94 ALA HA 4.300 . 6.100 4.279 3.032 5.047 . 0 0 "[ . 1 ]" 1
239 1 71 LYS H 1 95 ASP H 5.000 . 6.800 4.366 3.621 4.971 . 0 0 "[ . 1 ]" 1
240 1 71 LYS H 1 95 ASP HB3 4.300 . 6.100 5.538 3.631 6.105 0.005 10 0 "[ . 1 ]" 1
241 1 71 LYS HB2 1 95 ASP H 4.600 . 6.400 5.095 1.956 6.380 . 0 0 "[ . 1 ]" 1
242 1 72 ILE H 1 94 ALA HA 4.800 . 6.600 3.887 2.191 4.603 . 0 0 "[ . 1 ]" 1
243 1 72 ILE H 1 95 ASP HA 5.000 . 6.800 6.434 5.246 6.820 0.020 11 0 "[ . 1 ]" 1
244 1 72 ILE HA 1 93 TYR H 5.000 . 6.800 4.201 3.472 5.081 . 0 0 "[ . 1 ]" 1
245 1 72 ILE HA 1 95 ASP H 5.000 . 6.800 2.952 2.569 3.427 . 0 0 "[ . 1 ]" 1
246 1 72 ILE HB 1 94 ALA H 3.900 . 5.500 5.544 5.505 5.597 0.097 3 0 "[ . 1 ]" 1
247 1 72 ILE HB 1 95 ASP H 4.500 . 6.300 5.773 5.515 6.311 0.010 10 0 "[ . 1 ]" 1
248 1 72 ILE MD 1 95 ASP H 5.000 . 6.500 5.293 4.193 6.057 . 0 0 "[ . 1 ]" 1
249 1 72 ILE QG 1 94 ALA H 3.900 . 5.400 3.490 2.977 3.944 . 0 0 "[ . 1 ]" 1
250 1 72 ILE HG12 1 93 TYR H 3.900 . 5.500 4.620 3.884 5.503 0.003 8 0 "[ . 1 ]" 1
251 1 72 ILE MG 1 75 GLU H 3.900 . 5.400 5.433 5.412 5.470 0.070 4 0 "[ . 1 ]" 1
252 1 72 ILE MG 1 93 TYR H 5.000 . 6.500 2.012 1.815 2.558 . 0 0 "[ . 1 ]" 1
253 1 72 ILE MG 1 94 ALA H 3.900 . 5.400 2.856 2.518 3.483 . 0 0 "[ . 1 ]" 1
254 1 72 ILE MG 1 95 ASP H 5.000 . 6.500 4.217 3.578 4.939 . 0 0 "[ . 1 ]" 1
255 1 73 GLU H 1 93 TYR H 4.300 . 6.100 2.997 2.354 3.450 . 0 0 "[ . 1 ]" 1
256 1 73 GLU H 1 93 TYR HB2 4.600 . 6.400 3.396 2.666 4.597 . 0 0 "[ . 1 ]" 1
257 1 73 GLU H 1 93 TYR HB3 4.000 . 5.800 4.540 3.769 5.840 0.040 4 0 "[ . 1 ]" 1
258 1 73 GLU H 1 93 TYR HD1 4.800 . 6.600 5.383 2.642 6.561 . 0 0 "[ . 1 ]" 1
259 1 73 GLU H 1 94 ALA HA 3.800 . 5.400 3.620 3.250 4.081 . 0 0 "[ . 1 ]" 1
260 1 73 GLU H 1 94 ALA MB 3.900 . 5.500 4.751 4.402 4.975 . 0 0 "[ . 1 ]" 1
261 1 73 GLU QG 1 93 TYR H 3.900 . 5.400 4.543 3.476 5.413 0.013 8 0 "[ . 1 ]" 1
262 1 74 VAL MG2 1 76 PHE H 5.000 . 6.500 4.842 3.797 6.138 . 0 0 "[ . 1 ]" 1
263 1 75 GLU H 1 91 TYR HB2 5.000 . 6.800 4.606 2.664 5.804 . 0 0 "[ . 1 ]" 1
264 1 75 GLU H 1 91 TYR HB3 4.700 . 6.500 4.275 2.851 5.884 . 0 0 "[ . 1 ]" 1
265 1 75 GLU H 1 93 TYR QD 3.900 . 5.400 2.939 2.314 4.895 . 0 0 "[ . 1 ]" 1
266 1 75 GLU H 1 93 TYR QE 3.900 . 5.500 3.178 2.320 4.115 . 0 0 "[ . 1 ]" 1
267 1 76 PHE H 1 93 TYR QE 4.200 . 6.000 5.386 2.891 5.960 . 0 0 "[ . 1 ]" 1
268 1 76 PHE HB2 1 78 LYS H 3.900 . 5.500 3.723 2.243 5.377 . 0 0 "[ . 1 ]" 1
269 1 76 PHE HB2 1 79 GLY H 4.800 . 6.600 4.525 2.964 6.397 . 0 0 "[ . 1 ]" 1
270 1 76 PHE QE 1 78 LYS H 5.000 . 6.500 4.817 3.262 6.523 0.023 6 0 "[ . 1 ]" 1
271 1 76 PHE QE 1 91 TYR H 5.000 . 6.500 4.177 2.085 6.495 . 0 0 "[ . 1 ]" 1
272 1 77 ASP HA 1 79 GLY H 4.600 . 6.400 4.519 3.239 5.385 . 0 0 "[ . 1 ]" 1
273 1 77 ASP HB2 1 79 GLY H 5.000 . 6.800 5.347 3.097 6.491 . 0 0 "[ . 1 ]" 1
274 1 78 LYS H 1 80 GLN H 4.800 . 6.600 5.473 4.495 6.138 . 0 0 "[ . 1 ]" 1
275 1 80 GLN HA 1 82 THR H 4.500 . 6.300 3.898 3.348 4.660 . 0 0 "[ . 1 ]" 1
276 1 82 THR H 1 84 LYS HG3 4.300 . 6.100 5.796 4.759 6.133 0.033 10 0 "[ . 1 ]" 1
277 1 82 THR H 1 87 ARG H 4.200 . 6.000 5.680 5.124 6.040 0.040 10 0 "[ . 1 ]" 1
278 1 82 THR HA 1 86 GLY H 5.000 . 6.800 4.609 2.324 6.845 0.045 6 0 "[ . 1 ]" 1
279 1 82 THR HA 1 89 LEU H 4.200 . 6.000 5.932 5.408 6.091 0.091 8 0 "[ . 1 ]" 1
280 1 82 THR HB 1 86 GLY H 3.900 . 5.500 4.355 2.093 5.513 0.013 8 0 "[ . 1 ]" 1
281 1 83 ASP H 1 86 GLY H 3.900 . 5.500 4.525 2.619 5.577 0.077 6 0 "[ . 1 ]" 1
282 1 84 LYS H 1 86 GLY H 5.000 . 6.300 3.643 3.075 4.300 . 0 0 "[ . 1 ]" 1
283 1 84 LYS H 1 88 GLY H 4.500 . 6.300 5.664 4.561 6.316 0.016 3 0 "[ . 1 ]" 1
284 1 84 LYS HB2 1 86 GLY H 3.900 . 5.500 4.267 2.339 5.507 0.007 8 0 "[ . 1 ]" 1
285 1 84 LYS HB2 1 89 LEU H 3.600 . 5.200 4.564 2.907 5.250 0.050 8 0 "[ . 1 ]" 1
286 1 84 LYS HB3 1 86 GLY H 3.900 . 5.500 5.168 3.479 5.507 0.007 2 0 "[ . 1 ]" 1
287 1 84 LYS HG3 1 86 GLY H 3.900 . 5.500 4.122 2.665 5.286 . 0 0 "[ . 1 ]" 1
288 1 84 LYS HG3 1 87 ARG H 3.700 . 5.300 4.830 3.835 5.310 0.010 4 0 "[ . 1 ]" 1
289 1 84 LYS HG3 1 89 LEU H 4.100 . 5.900 3.922 3.113 5.676 . 0 0 "[ . 1 ]" 1
290 1 85 TYR H 1 87 ARG H 3.900 . 5.500 3.650 2.900 4.639 . 0 0 "[ . 1 ]" 1
291 1 85 TYR QD 1 89 LEU H 5.000 . 6.500 5.841 4.155 6.531 0.031 6 0 "[ . 1 ]" 1
292 1 85 TYR HD1 1 87 ARG H 4.500 . 6.300 5.493 3.476 6.608 0.308 4 0 "[ . 1 ]" 1
293 1 85 TYR HD1 1 88 GLY H 5.000 . 6.800 5.544 2.433 6.576 . 0 0 "[ . 1 ]" 1
294 1 85 TYR QE 1 88 GLY H 5.000 . 6.800 5.370 4.556 5.973 . 0 0 "[ . 1 ]" 1
295 1 91 TYR H 1 93 TYR QD 5.000 . 6.500 6.161 5.326 6.512 0.012 11 0 "[ . 1 ]" 1
296 1 91 TYR H 1 93 TYR QE 5.000 . 6.800 5.349 4.587 6.193 . 0 0 "[ . 1 ]" 1
297 1 93 TYR HA 1 97 LYS H 4.500 . 6.300 4.022 3.188 5.149 . 0 0 "[ . 1 ]" 1
298 1 93 TYR HB3 1 96 GLY H 5.000 . 6.800 3.604 3.003 4.058 . 0 0 "[ . 1 ]" 1
299 1 93 TYR HB3 1 97 LYS H 4.500 . 6.300 3.992 3.484 4.644 . 0 0 "[ . 1 ]" 1
300 1 93 TYR QD 1 96 GLY H 5.000 . 6.500 5.110 4.282 5.711 . 0 0 "[ . 1 ]" 1
301 1 93 TYR QD 1 97 LYS H 5.000 . 6.500 4.692 3.838 5.303 . 0 0 "[ . 1 ]" 1
302 1 94 ALA H 1 97 LYS H 4.600 . 6.400 3.747 3.095 4.790 . 0 0 "[ . 1 ]" 1
303 1 94 ALA H 1 97 LYS HA 3.900 . 5.500 5.164 3.894 5.529 0.029 3 0 "[ . 1 ]" 1
304 1 94 ALA H 1 99 VAL MG2 3.900 . 5.400 4.153 2.686 5.085 . 0 0 "[ . 1 ]" 1
305 1 94 ALA HA 1 96 GLY H 4.400 . 6.200 3.933 3.336 4.431 . 0 0 "[ . 1 ]" 1
306 1 94 ALA MB 1 97 LYS H 4.300 . 6.100 4.062 3.485 4.752 . 0 0 "[ . 1 ]" 1
307 1 95 ASP H 1 97 LYS H 4.900 . 6.700 4.176 3.912 4.871 . 0 0 "[ . 1 ]" 1
308 1 95 ASP H 1 97 LYS HA 5.000 . 6.800 6.789 6.398 6.853 0.053 5 0 "[ . 1 ]" 1
309 1 95 ASP HA 1 97 LYS H 4.300 . 6.100 4.437 4.238 4.701 . 0 0 "[ . 1 ]" 1
310 1 95 ASP HB2 1 97 LYS H 3.900 . 5.500 4.661 3.738 5.265 . 0 0 "[ . 1 ]" 1
311 1 95 ASP HB3 1 97 LYS H 3.900 . 5.500 4.296 3.187 5.247 . 0 0 "[ . 1 ]" 1
312 1 97 LYS H 1 99 VAL MG2 5.000 . 6.500 5.540 4.847 6.492 . 0 0 "[ . 1 ]" 1
313 1 99 VAL HA 1 102 ALA H 5.000 . 6.800 3.340 2.898 4.794 . 0 0 "[ . 1 ]" 1
314 1 99 VAL HA 1 103 LEU H 3.900 . 5.500 4.551 2.741 5.564 0.064 10 0 "[ . 1 ]" 1
315 1 101 GLU HA 1 103 LEU H 3.900 . 5.500 5.116 4.203 5.609 0.109 10 0 "[ . 1 ]" 1
316 1 103 LEU H 1 106 GLN H 3.900 . 5.500 5.002 3.919 5.558 0.058 10 0 "[ . 1 ]" 1
317 1 103 LEU MD2 1 106 GLN H 3.900 . 5.400 4.254 3.492 5.105 . 0 0 "[ . 1 ]" 1
318 1 103 LEU MD2 1 107 GLY H 3.900 . 5.400 5.192 4.816 5.428 0.028 12 0 "[ . 1 ]" 1
319 1 103 LEU MD2 1 108 LEU H 5.000 . 6.500 3.905 3.497 4.510 . 0 0 "[ . 1 ]" 1
320 1 103 LEU HG 1 109 ALA H 3.900 . 5.500 5.103 3.902 5.552 0.052 3 0 "[ . 1 ]" 1
321 1 104 VAL H 1 109 ALA H 5.000 . 6.800 5.874 4.832 6.824 0.024 9 0 "[ . 1 ]" 1
322 1 104 VAL HA 1 109 ALA H 4.100 . 5.900 4.023 2.482 5.181 . 0 0 "[ . 1 ]" 1
323 1 105 ARG H 1 107 GLY H 4.500 . 6.300 4.239 3.931 4.471 . 0 0 "[ . 1 ]" 1
324 1 106 GLN H 1 110 LYS QG 3.900 . 5.400 5.061 4.220 5.428 0.028 6 0 "[ . 1 ]" 1
325 1 106 GLN HA 1 108 LEU H 3.900 . 5.500 4.831 4.304 5.465 . 0 0 "[ . 1 ]" 1
326 1 106 GLN HB2 1 108 LEU H 4.600 . 6.400 4.174 3.330 5.307 . 0 0 "[ . 1 ]" 1
327 1 106 GLN QG 1 108 LEU H 5.000 . 6.500 5.264 4.533 5.898 . 0 0 "[ . 1 ]" 1
328 1 107 GLY H 1 109 ALA H 3.900 . 5.500 4.907 3.726 5.558 0.058 3 0 "[ . 1 ]" 1
329 1 107 GLY H 1 110 LYS QG 5.000 . 6.500 5.254 2.813 6.403 . 0 0 "[ . 1 ]" 1
330 1 108 LEU H 1 110 LYS H 4.900 . 6.700 4.993 3.163 6.557 . 0 0 "[ . 1 ]" 1
331 1 108 LEU H 1 110 LYS QG 4.500 . 6.000 4.919 2.732 5.992 . 0 0 "[ . 1 ]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 4:49:21 PM GMT (wattos1)