NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
642860 |
6poj   |
26805 | cing | 4-filtered-FRED | Wattos | check | completeness | distance |
data_6poj
save_NOE_Completeness
_NOE_completeness_stats.Sf_category NOE_completeness_statistics
_NOE_completeness_stats.Model_count 10
_NOE_completeness_stats.Residue_count 292
_NOE_completeness_stats.Total_atom_count 4417
_NOE_completeness_stats.Observable_atom_definition ob_standard
_NOE_completeness_stats.Observable_atom_count 1546
_NOE_completeness_stats.Use_intra_residue_restraints no
_NOE_completeness_stats.Redundancy_threshold_pct 5.0
_NOE_completeness_stats.Distance_averaging_power 1.00
_NOE_completeness_stats.Completeness_cutoff 4.00
_NOE_completeness_stats.Completeness_cumulative_pct 0.0
_NOE_completeness_stats.Constraint_unexpanded_count 181
_NOE_completeness_stats.Constraint_count 181
_NOE_completeness_stats.Constraint_exp_unfiltered_count 3220
_NOE_completeness_stats.Constraint_exceptional_count 0
_NOE_completeness_stats.Constraint_nonobservable_count 181
_NOE_completeness_stats.Constraint_intraresidue_count 0
_NOE_completeness_stats.Constraint_surplus_count 0
_NOE_completeness_stats.Constraint_observed_count 0
_NOE_completeness_stats.Constraint_expected_count 3220
_NOE_completeness_stats.Constraint_matched_count 0
_NOE_completeness_stats.Constraint_unmatched_count 0
_NOE_completeness_stats.Constraint_exp_nonobs_count 3220
_NOE_completeness_stats.Details
;
A detailed methodology description is available at:
http://nmr.cmbi.ru.nl/~jd/wattos/doc/Wattos/Soup/Constraint/dc_completeness.html
Please note that the contributions in ambiguous restraints are considered
separate 'restraints' for the sets defined below.
The cut off for all statistics except those in the by-shell table is
given below by the above tag: _NOE_completeness_stats.Completeness_cutoff
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * Number of models
* 5 * Number of residues
* 6 * Number of atoms
* 7 * Standard set name of observable atom definitions
see: Doreleijers et al., J.Biomol.NMR 14, 123-132 (1999).
* 8 * Observable atom(group)s
* 9 * Include intra residue restraints
* 10 * Surplus threshold for determining redundant restraints
* 11 * Power for averaging the distance over models
* 12 * Up to what distance are NOEs expected
* 13 * Cumulative completeness percentage
* 14 * Number of unexpanded restraints in restraint list.
* 15 * Number of restraints in restraint list. Set U
* 16 * Expected restraints based on criteria in list. Set V
Set V differs from set B only if intra residue restraints are analyzed.
* 17 * Exceptional restraints, i.e. with an unknown atom.Set E
* 18 * Not observable NOEs with e.g. hydroxyl Ser HG. Set O
Even though restraints with these atom types might have been observed they are
excluded from the analysis.
* 19 * Intra-residue restraints if not to be analyzed. Set I
* 20 * Surplus like double restraints. Set S
* 21 * Observed restraints. Set A = U - (E u O u I u S)
* 22 * Expected restraints based on criteria as in A. Set B = V - (I u S)
* 23 * Observed restraints matched to the expected. Set M = A n B
* 24 * Observed restraints that were not expected. Set C = A - M
* 25 * Expected restraints that were not observed. Set D = B - M
* 26 * This tag
Description of the tags in the class table:
* 1 * Class of restraint. Note that 'medium-range' involves (2<=i<=4) contacts.
Possible values are: intraresidue,sequential,medium-range,long-range, and intermolecular.
* 2 * Observed restraints. Set A = U - (E u O u I u S)
* 3 * Expected restraints based on criteria as in A. Set B = V - (I u S)
* 4 * Observed restraints matched to the expected. Set M = A n B
* 5 * Completeness percentage
* 6 * Standard deviation from the average over the classes.
* 7 * Extra information
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the shell table.
The first row shows the lower limit of the shells requested and
The last row shows the total number of restraints over the shells.
* 1 * Description of the content of the row: edges, shell, or sums.
The value determines the meaning of the values to the nine 'Matched_shell_x' tags among others.
* 2 * Lower limit of shell of expected restraints.
* 3 * Upper limit of shell of expected restraints.
* 4 * Expected restraints based on criteria as in A. Set B = V - (I u S)
* 5 * Observed restraints matched to the expected. Set M = A n B
* 6 * Matched restraints with experimental distance in shell 1
* 7 * Matched restraints with experimental distance in shell 2
* 8 * Matched restraints with experimental distance in shell 3
* 9 * Matched restraints with experimental distance in shell 4
* 10 * Matched restraints with experimental distance in shell 5
* 11 * Matched restraints with experimental distance in shell 6
* 12 * Matched restraints with experimental distance in shell 7
* 13 * Matched restraints with experimental distance in shell 8
* 14 * Matched restraints with experimental distance in shell 9
* 15 * Matched restraints overflowing the last shell
* 16 * Completeness percentage for this shell
* 17 * Completeness percentage up to upper limit of this shell
* 18 * Administrative tag
* 19 * Administrative tag
Description of the tags in the residue table:
* 1 * Chain identifier
* 2 * Residue number
* 3 * Residue name
* 4 * Observable atom(group)s for this residue.
* 5 * Observed restraints. Set A = U - (E u O u I u S)
* 6 * Expected restraints based on criteria as in A. Set B = V - (I u S)
* 7 * Observed restraints matched to the expected. Set M = A n B
* 8 * Completeness percentage
* 9 * Standard deviation from the average over the residues.
* 10 * Extra information
* 11 * Administrative tag
* 12 * Administrative tag
;
loop_
_NOE_completeness_class.Type
_NOE_completeness_class.Constraint_observed_count
_NOE_completeness_class.Constraint_expected_count
_NOE_completeness_class.Constraint_matched_count
_NOE_completeness_class.Completeness_cumulative_pct
_NOE_completeness_class.Std_dev
_NOE_completeness_class.Details
intraresidue 0 0 0 . . "no intras"
sequential 0 1369 0 0.0 . >sigma
medium-range 0 804 0 0.0 . >sigma
long-range 0 1047 0 0.0 . >sigma
intermolecular 0 0 0 . . "no multimer"
stop_
loop_
_NOE_completeness_shell.Type
_NOE_completeness_shell.Shell_start
_NOE_completeness_shell.Shell_end
_NOE_completeness_shell.Constraint_expected_count
_NOE_completeness_shell.Constraint_matched_count
_NOE_completeness_shell.Matched_shell_1
_NOE_completeness_shell.Matched_shell_2
_NOE_completeness_shell.Matched_shell_3
_NOE_completeness_shell.Matched_shell_4
_NOE_completeness_shell.Matched_shell_5
_NOE_completeness_shell.Matched_shell_6
_NOE_completeness_shell.Matched_shell_7
_NOE_completeness_shell.Matched_shell_8
_NOE_completeness_shell.Matched_shell_9
_NOE_completeness_shell.Matched_shell_overflow
_NOE_completeness_shell.Completeness_shell_pct
_NOE_completeness_shell.Completeness_cumulative_pct
edges . . . . 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 . . . .
shell 0.00 2.00 38 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.00 2.50 259 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 2.50 3.00 596 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.00 3.50 859 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 3.50 4.00 1468 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.00 4.50 1975 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 4.50 5.00 3122 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.00 5.50 4027 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 5.50 6.00 4412 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.00 6.50 4869 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 6.50 7.00 5481 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.00 7.50 5761 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 7.50 8.00 6575 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.00 8.50 7125 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
shell 8.50 9.00 7636 0 0 0 0 0 0 0 0 0 . 0 0.0 0.0
sums . . 54203 0 0 0 0 0 0 0 0 0 . 0 . .
stop_
loop_
_NOE_completeness_comp.Entity_assembly_ID
_NOE_completeness_comp.Comp_index_ID
_NOE_completeness_comp.Comp_ID
_NOE_completeness_comp.Obs_atom_count
_NOE_completeness_comp.Constraint_observed_count
_NOE_completeness_comp.Constraint_expected_count
_NOE_completeness_comp.Constraint_matched_count
_NOE_completeness_comp.Completeness_cumulative_pct
_NOE_completeness_comp.Std_dev
_NOE_completeness_comp.Details
1 1 MET 6 0 3 0 0.0 . >sigma
1 2 ALA 3 0 6 0 0.0 . >sigma
1 3 SER 4 0 7 0 0.0 . >sigma
1 4 GLU 5 0 8 0 0.0 . >sigma
1 5 PHE 7 0 7 0 0.0 . >sigma
1 6 LYS 7 0 7 0 0.0 . >sigma
1 7 LYS 7 0 9 0 0.0 . >sigma
1 8 LYS 7 0 10 0 0.0 . >sigma
1 9 LEU 7 0 9 0 0.0 . >sigma
1 10 PHE 7 0 9 0 0.0 . >sigma
1 11 TRP 10 0 14 0 0.0 . >sigma
1 12 ARG 7 0 10 0 0.0 . >sigma
1 13 ALA 3 0 18 0 0.0 . >sigma
1 14 VAL 5 0 27 0 0.0 . >sigma
1 15 VAL 5 0 33 0 0.0 . >sigma
1 16 ALA 3 0 24 0 0.0 . >sigma
1 17 GLU 5 0 35 0 0.0 . >sigma
1 18 PHE 7 0 57 0 0.0 . >sigma
1 19 LEU 7 0 30 0 0.0 . >sigma
1 20 ALA 3 0 35 0 0.0 . >sigma
1 21 THR 4 0 52 0 0.0 . >sigma
1 22 THR 4 0 34 0 0.0 . >sigma
1 23 LEU 7 0 17 0 0.0 . >sigma
1 24 PHE 7 0 65 0 0.0 . >sigma
1 25 VAL 5 0 52 0 0.0 . >sigma
1 26 PHE 7 0 59 0 0.0 . >sigma
1 27 ILE 6 0 28 0 0.0 . >sigma
1 28 SER 4 0 34 0 0.0 . >sigma
1 29 ILE 6 0 59 0 0.0 . >sigma
1 30 GLY 3 0 20 0 0.0 . >sigma
1 31 SER 4 0 21 0 0.0 . >sigma
1 32 ALA 3 0 29 0 0.0 . >sigma
1 33 LEU 7 0 43 0 0.0 . >sigma
1 34 GLY 3 0 22 0 0.0 . >sigma
1 35 PHE 7 0 28 0 0.0 . >sigma
1 36 LYS 7 0 28 0 0.0 . >sigma
1 37 TYR 6 0 20 0 0.0 . >sigma
1 38 PRO 5 0 7 0 0.0 . >sigma
1 39 VAL 5 0 13 0 0.0 . >sigma
1 40 GLY 3 0 8 0 0.0 . >sigma
1 41 ASN 6 0 6 0 0.0 . >sigma
1 42 ASN 6 0 8 0 0.0 . >sigma
1 43 GLN 7 0 11 0 0.0 . >sigma
1 44 THR 4 0 9 0 0.0 . >sigma
1 45 ALA 3 0 9 0 0.0 . >sigma
1 46 VAL 5 0 8 0 0.0 . >sigma
1 47 GLN 7 0 23 0 0.0 . >sigma
1 48 ASP 4 0 22 0 0.0 . >sigma
1 49 ASN 6 0 29 0 0.0 . >sigma
1 50 VAL 5 0 35 0 0.0 . >sigma
1 51 LYS 7 0 39 0 0.0 . >sigma
1 52 VAL 5 0 38 0 0.0 . >sigma
1 53 SER 4 0 33 0 0.0 . >sigma
1 54 LEU 7 0 31 0 0.0 . >sigma
1 55 ALA 3 0 22 0 0.0 . >sigma
1 56 PHE 7 0 49 0 0.0 . >sigma
1 57 GLY 3 0 29 0 0.0 . >sigma
1 58 LEU 7 0 18 0 0.0 . >sigma
1 59 SER 4 0 21 0 0.0 . >sigma
1 60 ILE 6 0 51 0 0.0 . >sigma
1 61 ALA 3 0 27 0 0.0 . >sigma
1 62 THR 4 0 24 0 0.0 . >sigma
1 63 LEU 7 0 47 0 0.0 . >sigma
1 64 ALA 3 0 29 0 0.0 . >sigma
1 65 GLN 7 0 21 0 0.0 . >sigma
1 66 SER 4 0 15 0 0.0 . >sigma
1 67 VAL 5 0 21 0 0.0 . >sigma
1 68 GLY 3 0 9 0 0.0 . >sigma
1 69 HIS 6 0 15 0 0.0 . >sigma
1 70 ILE 6 0 9 0 0.0 . >sigma
1 71 SER 4 0 16 0 0.0 . >sigma
1 72 GLY 3 0 7 0 0.0 . >sigma
1 73 ALA 3 0 32 0 0.0 . >sigma
1 74 HIS 6 0 17 0 0.0 . >sigma
1 75 LEU 7 0 76 0 0.0 . >sigma
1 76 ASN 6 0 44 0 0.0 . >sigma
1 77 PRO 5 0 42 0 0.0 . >sigma
1 78 ALA 3 0 39 0 0.0 . >sigma
1 79 VAL 5 0 45 0 0.0 . >sigma
1 80 THR 4 0 27 0 0.0 . >sigma
1 81 LEU 7 0 24 0 0.0 . >sigma
1 82 GLY 3 0 18 0 0.0 . >sigma
1 83 LEU 7 0 16 0 0.0 . >sigma
1 84 LEU 7 0 15 0 0.0 . >sigma
1 85 LEU 7 0 21 0 0.0 . >sigma
1 86 SER 4 0 8 0 0.0 . >sigma
1 87 CYS 4 0 8 0 0.0 . >sigma
1 88 GLN 7 0 9 0 0.0 . >sigma
1 89 ILE 6 0 11 0 0.0 . >sigma
1 90 SER 4 0 10 0 0.0 . >sigma
1 91 ILE 6 0 10 0 0.0 . >sigma
1 92 PHE 7 0 13 0 0.0 . >sigma
1 93 ARG 7 0 14 0 0.0 . >sigma
1 94 ALA 3 0 24 0 0.0 . >sigma
1 95 LEU 7 0 18 0 0.0 . >sigma
1 96 MET 6 0 23 0 0.0 . >sigma
1 97 TYR 6 0 27 0 0.0 . >sigma
1 98 ILE 6 0 24 0 0.0 . >sigma
1 99 ILE 6 0 22 0 0.0 . >sigma
1 100 ALA 3 0 31 0 0.0 . >sigma
1 101 GLN 7 0 46 0 0.0 . >sigma
1 102 CYS 4 0 24 0 0.0 . >sigma
1 103 VAL 5 0 36 0 0.0 . >sigma
1 104 GLY 3 0 31 0 0.0 . >sigma
1 105 ALA 3 0 34 0 0.0 . >sigma
1 106 ILE 6 0 47 0 0.0 . >sigma
1 107 VAL 5 0 36 0 0.0 . >sigma
1 108 ALA 3 0 36 0 0.0 . >sigma
1 109 THR 4 0 29 0 0.0 . >sigma
1 110 ALA 3 0 15 0 0.0 . >sigma
1 111 ILE 6 0 23 0 0.0 . >sigma
1 112 LEU 7 0 70 0 0.0 . >sigma
1 113 SER 4 0 16 0 0.0 . >sigma
1 114 GLY 3 0 11 0 0.0 . >sigma
1 115 ILE 6 0 27 0 0.0 . >sigma
1 116 THR 4 0 25 0 0.0 . >sigma
1 117 SER 4 0 10 0 0.0 . >sigma
1 118 SER 4 0 9 0 0.0 . >sigma
1 119 LEU 7 0 14 0 0.0 . >sigma
1 120 THR 4 0 10 0 0.0 . >sigma
1 121 GLY 3 0 13 0 0.0 . >sigma
1 122 ASN 6 0 8 0 0.0 . >sigma
1 123 SER 4 0 17 0 0.0 . >sigma
1 124 LEU 7 0 40 0 0.0 . >sigma
1 125 GLY 3 0 16 0 0.0 . >sigma
1 126 ARG 7 0 36 0 0.0 . >sigma
1 127 ASN 6 0 8 0 0.0 . >sigma
1 128 ASP 4 0 9 0 0.0 . >sigma
1 129 LEU 7 0 25 0 0.0 . >sigma
1 130 ALA 3 0 16 0 0.0 . >sigma
1 131 ASP 4 0 4 0 0.0 . >sigma
1 132 GLY 3 0 7 0 0.0 . >sigma
1 133 VAL 5 0 58 0 0.0 . >sigma
1 134 ASN 6 0 24 0 0.0 . >sigma
1 135 SER 4 0 20 0 0.0 . >sigma
1 136 GLY 3 0 22 0 0.0 . >sigma
1 137 GLN 7 0 34 0 0.0 . >sigma
1 138 GLY 3 0 31 0 0.0 . >sigma
1 139 LEU 7 0 40 0 0.0 . >sigma
1 140 GLY 3 0 17 0 0.0 . >sigma
1 141 ILE 6 0 48 0 0.0 . >sigma
1 142 GLU 5 0 37 0 0.0 . >sigma
1 143 ILE 6 0 55 0 0.0 . >sigma
1 144 ILE 6 0 23 0 0.0 . >sigma
1 145 GLY 3 0 22 0 0.0 . >sigma
1 146 THR 4 0 45 0 0.0 . >sigma
1 147 LEU 7 0 59 0 0.0 . >sigma
1 148 GLN 7 0 39 0 0.0 . >sigma
1 149 LEU 7 0 64 0 0.0 . >sigma
1 150 VAL 5 0 50 0 0.0 . >sigma
1 151 LEU 7 0 36 0 0.0 . >sigma
1 152 CYS 4 0 23 0 0.0 . >sigma
1 153 VAL 5 0 39 0 0.0 . >sigma
1 154 LEU 7 0 30 0 0.0 . >sigma
1 155 ALA 3 0 17 0 0.0 . >sigma
1 156 THR 4 0 25 0 0.0 . >sigma
1 157 THR 4 0 12 0 0.0 . >sigma
1 158 ASP 4 0 15 0 0.0 . >sigma
1 159 ARG 7 0 7 0 0.0 . >sigma
1 160 ARG 7 0 11 0 0.0 . >sigma
1 161 ARG 7 0 8 0 0.0 . >sigma
1 162 ARG 7 0 9 0 0.0 . >sigma
1 163 ASP 4 0 8 0 0.0 . >sigma
1 164 LEU 7 0 8 0 0.0 . >sigma
1 165 GLY 3 0 8 0 0.0 . >sigma
1 166 GLY 3 0 5 0 0.0 . >sigma
1 167 SER 4 0 20 0 0.0 . >sigma
1 168 ALA 3 0 17 0 0.0 . >sigma
1 169 PRO 5 0 41 0 0.0 . >sigma
1 170 LEU 7 0 30 0 0.0 . >sigma
1 171 ALA 3 0 17 0 0.0 . >sigma
1 172 ILE 6 0 45 0 0.0 . >sigma
1 173 GLY 3 0 26 0 0.0 . >sigma
1 174 LEU 7 0 14 0 0.0 . >sigma
1 175 SER 4 0 28 0 0.0 . >sigma
1 176 VAL 5 0 54 0 0.0 . >sigma
1 177 ALA 3 0 44 0 0.0 . >sigma
1 178 LEU 7 0 33 0 0.0 . >sigma
1 179 GLY 3 0 32 0 0.0 . >sigma
1 180 HIS 6 0 50 0 0.0 . >sigma
1 181 LEU 7 0 53 0 0.0 . >sigma
1 182 LEU 7 0 32 0 0.0 . >sigma
1 183 ALA 3 0 37 0 0.0 . >sigma
1 184 ILE 6 0 54 0 0.0 . >sigma
1 185 ASP 4 0 23 0 0.0 . >sigma
1 186 TYR 6 0 44 0 0.0 . >sigma
1 187 THR 4 0 44 0 0.0 . >sigma
1 188 GLY 3 0 20 0 0.0 . >sigma
1 189 CYS 4 0 18 0 0.0 . >sigma
1 190 GLY 3 0 30 0 0.0 . >sigma
1 191 ILE 6 0 54 0 0.0 . >sigma
1 192 ASN 6 0 51 0 0.0 . >sigma
1 193 PRO 5 0 36 0 0.0 . >sigma
1 194 ALA 3 0 34 0 0.0 . >sigma
1 195 ARG 7 0 53 0 0.0 . >sigma
1 196 SER 4 0 25 0 0.0 . >sigma
1 197 PHE 7 0 25 0 0.0 . >sigma
1 198 GLY 3 0 21 0 0.0 . >sigma
1 199 SER 4 0 25 0 0.0 . >sigma
1 200 ALA 3 0 18 0 0.0 . >sigma
1 201 VAL 5 0 22 0 0.0 . >sigma
1 202 ILE 6 0 28 0 0.0 . >sigma
1 203 THR 4 0 9 0 0.0 . >sigma
1 204 HIS 6 0 7 0 0.0 . >sigma
1 205 ASN 6 0 7 0 0.0 . >sigma
1 206 PHE 7 0 11 0 0.0 . >sigma
1 207 SER 4 0 11 0 0.0 . >sigma
1 208 ASN 6 0 14 0 0.0 . >sigma
1 209 HIS 6 0 13 0 0.0 . >sigma
1 210 TRP 10 0 15 0 0.0 . >sigma
1 211 ILE 6 0 38 0 0.0 . >sigma
1 212 PHE 7 0 27 0 0.0 . >sigma
1 213 TRP 10 0 19 0 0.0 . >sigma
1 214 VAL 5 0 37 0 0.0 . >sigma
1 215 GLY 3 0 28 0 0.0 . >sigma
1 216 PRO 5 0 45 0 0.0 . >sigma
1 217 PHE 7 0 30 0 0.0 . >sigma
1 218 ILE 6 0 37 0 0.0 . >sigma
1 219 GLY 3 0 34 0 0.0 . >sigma
1 220 GLY 3 0 26 0 0.0 . >sigma
1 221 ALA 3 0 21 0 0.0 . >sigma
1 222 LEU 7 0 42 0 0.0 . >sigma
1 223 ALA 3 0 40 0 0.0 . >sigma
1 224 VAL 5 0 38 0 0.0 . >sigma
1 225 LEU 7 0 15 0 0.0 . >sigma
1 226 ILE 6 0 26 0 0.0 . >sigma
1 227 TYR 6 0 20 0 0.0 . >sigma
1 228 ASP 4 0 9 0 0.0 . >sigma
1 229 PHE 7 0 6 0 0.0 . >sigma
1 230 ILE 6 0 8 0 0.0 . >sigma
1 231 LEU 7 0 8 0 0.0 . >sigma
1 232 ALA 3 0 7 0 0.0 . >sigma
1 233 PRO 5 0 6 0 0.0 . >sigma
1 234 ARG 7 0 8 0 0.0 . >sigma
1 235 SER 4 0 9 0 0.0 . >sigma
1 236 SER 4 0 8 0 0.0 . >sigma
1 237 ASP 4 0 8 0 0.0 . >sigma
1 238 LEU 7 0 10 0 0.0 . >sigma
1 239 THR 4 0 10 0 0.0 . >sigma
1 240 ASP 4 0 8 0 0.0 . >sigma
1 241 ARG 7 0 8 0 0.0 . >sigma
1 242 VAL 5 0 9 0 0.0 . >sigma
1 243 LYS 7 0 9 0 0.0 . >sigma
1 244 VAL 5 0 9 0 0.0 . >sigma
1 245 TRP 10 0 5 0 0.0 . >sigma
1 246 THR 4 0 3 0 0.0 . >sigma
1 247 SER 4 0 7 0 0.0 . >sigma
1 248 GLY 3 0 6 0 0.0 . >sigma
1 249 GLN 7 0 7 0 0.0 . >sigma
1 250 VAL 5 0 10 0 0.0 . >sigma
1 251 GLU 5 0 9 0 0.0 . >sigma
1 252 GLU 5 0 9 0 0.0 . >sigma
1 253 TYR 6 0 10 0 0.0 . >sigma
1 254 ASP 4 0 9 0 0.0 . >sigma
1 255 LEU 7 0 10 0 0.0 . >sigma
1 256 ASP 4 0 10 0 0.0 . >sigma
1 257 ALA 3 0 7 0 0.0 . >sigma
1 258 ASP 4 0 7 0 0.0 . >sigma
1 259 ASP 4 0 8 0 0.0 . >sigma
1 260 ILE 6 0 9 0 0.0 . >sigma
1 261 ASN 6 0 9 0 0.0 . >sigma
1 262 SER 4 0 8 0 0.0 . >sigma
1 263 ARG 7 0 9 0 0.0 . >sigma
1 264 VAL 5 0 11 0 0.0 . >sigma
1 265 GLU 5 0 10 0 0.0 . >sigma
1 266 MET 6 0 9 0 0.0 . >sigma
1 267 LYS 7 0 10 0 0.0 . >sigma
1 268 PRO 5 0 10 0 0.0 . >sigma
1 269 LYS 7 0 9 0 0.0 . >sigma
1 270 ALA 3 0 7 0 0.0 . >sigma
1 271 LEU 7 0 8 0 0.0 . >sigma
1 272 GLU 5 0 10 0 0.0 . >sigma
1 273 GLN 7 0 10 0 0.0 . >sigma
1 274 LYS 7 0 10 0 0.0 . >sigma
1 275 LEU 7 0 11 0 0.0 . >sigma
1 276 ILE 6 0 11 0 0.0 . >sigma
1 277 SER 4 0 7 0 0.0 . >sigma
1 278 GLU 5 0 6 0 0.0 . >sigma
1 279 GLU 5 0 9 0 0.0 . >sigma
1 280 ASP 4 0 9 0 0.0 . >sigma
1 281 LEU 7 0 7 0 0.0 . >sigma
1 282 ASN 6 0 7 0 0.0 . >sigma
1 283 SER 4 0 8 0 0.0 . >sigma
1 284 ALA 3 0 9 0 0.0 . >sigma
1 285 VAL 5 0 10 0 0.0 . >sigma
1 286 ASP 4 0 7 0 0.0 . >sigma
1 287 HIS 6 0 6 0 0.0 . >sigma
1 288 HIS 6 0 8 0 0.0 . >sigma
1 289 HIS 6 0 8 0 0.0 . >sigma
1 290 HIS 6 0 8 0 0.0 . >sigma
1 291 HIS 6 0 8 0 0.0 . >sigma
1 292 HIS 6 0 4 0 0.0 . >sigma
stop_
save_
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