NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
38991 |
1sh1   |
1049 | cing | 2-parsed | STAR | entry | full | 225 |
data_1sh1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sh1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1sh1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sh1
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1sh1 "Master copy" parsed_1sh1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sh1
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1sh1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sh1 1
1 1sh1.mr . . unknown 2 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1sh1 1
1 1sh1.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1sh1 1
1 1sh1.mr . . DYANA/DIANA 4 distance NOE simple 225 parsed_1sh1 1
1 1sh1.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1sh1 1
1 1sh1.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sh1 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1sh1
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER R1SH1MR 03-MAY-90
*COMPND NEUROTOXIN I (SH I) (ENERGY MINIMIZED AVERAGE STRUCTURE)
*SOURCE SEA ANEMONE (STICHODACTYLA $HELIANTHUS)
*EXPDTA NMR
*AUTHOR R.H.FOGH,R.S.NORTON
*COORDS 1SH1,2SH1
*REMARK
*REMARK HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES
*REMARK CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB
*REMARK COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL.
*REMARK BIOL. 52, 1 (1970)). THE PROTEIN DATA BANK HAS FOLLOWED
*REMARK RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING
*REMARK MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED
*REMARK TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER
*REMARK DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM
*REMARK NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS
*REMARK DENOTED AS 1HB).
*REMARK
#
# THIS FILE CONTAINS THE NMR RESTRAINTS USED TO GENERATE THE
# STRUCTURES OF SH I GIVEN IN PROTEIN DATA BANK FILES 1SH1 AND 2SH1.
# THE FILE CONTAINS A SERIES OF DIHEDRAL ANGLE RESTRAINTS
# FOLLOWED BY A SERIES OF DISTANCE RESTRAINTS.
# FORMATS ETC. ARE GIVEN IN COMMENTS.
#
# DIHEDRAL RESTRAINTS
#
# NOTE: THE ANGLE IS FIXED TO 'ANGLE VALUE' +/- 'HALF WIDTH'
#
# FORMAT IS (I2,1X,A3,8X,A4,6X,F6.1,6X,F6.1,6X,F6.1,9X,F6.1)
#
#
# RESIDUE DIHEDRAL ANGLE HALF WIDTH GROMOS FORCE COUPLING
# TYPE VALUE OF RANGE CONSTANT CONSTANT
# (DEG) (DEG) KJ/MOL HZ
;
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1sh1
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#
# NOTE FIXED DIHEDRALS FOR 13 ARG AND 28 ALA WERE IMPLEMENTED IN GROMOS
# AS REPULSIVE DISTANCE RESTRAINTS AND SO HAVE NO NORMAL FORCE CONSTANT.
#
#
# DISTANCE RESTRAINTS
#
# DISTANCE RESTRAINTS ARE GIVEN IN THE ORDER OF THE LOWEST
# NUMBERED RESIDUE IN THE RESTRAINT. EACH NEW RESIDUE COMMENCES
# BY A LINE GIVING THE RESIDUE NUMBER AND NAME (FORMAT (I2,1X,A3)).
# NEXT FOLLOWS A SERIES OF LINES CONTAINING ATOM NAME FOR FIRST
# ATOM IN RESTRAINT, RESIDUE NUMBER, NAME, AND ATOM NAME FOR
# SECOND ATOM IN RESTRAINT, UPPER DISTANCE LIMIT, AND A COMMENT
# FIELD STARTING WITH THE SIGN '#'.
# FORMAT IS (I2,1X,A4,4X,I2,1X,A3,2X,A4,2X,F5.1). COMMENTS ARE IN
# FREE FORMAT.
# THE FIRST LETTER IN THE ATOM NAME IS 'H' FOR HYDROGEN, 'C' FOR
# CARBON, 'M' FOR A METHYL GROUP PEUDOATOM, AND 'Q' FOR A METHYLENE
# GROUP PSEUDOATOM. PSEUDOATOMS FOR ISOPROPYL METHYL GROUPS BEGIN
# WITH 'QQ'. THE SUBSEQUENT LETTERS ARE THE LOCANT DESIGNATION
# ACCORDING TO IUPAC WITH 'A' FOR ALPHA, 'B' FOR BETA, ETC.
# BACKBONE NH PROTONS ARE TERMED 'HN'.
# THE DISTANCE LIMITS ARE GIVEN IN ANGSTROM.
#
# THE COMMENT FIELD CONTAINS (IN FREE FORMAT) THE FOLLOWING:
# THE SYMBOL '#'.
# THE INTERNAL REFERENCE NUMBER(S) USED IN OUR LABORATORY FOR
# THE NOE GIVING RISE TO THE RESTRAINT.
# THE INTENSITY OF THE NOE ('S' FOR STRONG, 'M' FOR MEDIUM,
# 'W' FOR WEAK, AND 'W-1', 'W-2', OR 'W-3' FOR WEAK INTENSITY
# REDUCED ONE, TWO OR THREE EXTRA LEVELS.
# NEXT FOLLOWS AN 'S' OR AN 'L' INDICATING WHETHER THE SHORT
# RANGE ('S') OR LONG RANGE ('L') SET OF DISTANCE LIMITS WAS
# WAS USED.
# FINALLY, 'SEQ' FOR SEQUENTIAL, 'I' FOR INTRARESIDUE OR 'LR'
# FOR LONG-RANGE INDICATES THE CLASSIFICATION OF THE RESTRAINT.
;
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1sh1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1sh1 1
2 1 . . . parsed_1sh1 1
3 1 . . . parsed_1sh1 1
4 1 . . . parsed_1sh1 1
5 1 . . . parsed_1sh1 1
6 1 . . . parsed_1sh1 1
7 1 . . . parsed_1sh1 1
8 1 . . . parsed_1sh1 1
9 1 . . . parsed_1sh1 1
10 1 . . . parsed_1sh1 1
11 1 . . . parsed_1sh1 1
12 1 . . . parsed_1sh1 1
13 1 . . . parsed_1sh1 1
14 1 . . . parsed_1sh1 1
15 1 . . . parsed_1sh1 1
16 1 . . . parsed_1sh1 1
17 1 . . . parsed_1sh1 1
18 1 . . . parsed_1sh1 1
19 1 . . . parsed_1sh1 1
20 1 . . . parsed_1sh1 1
21 1 . . . parsed_1sh1 1
22 1 . . . parsed_1sh1 1
23 1 . . . parsed_1sh1 1
24 1 . . . parsed_1sh1 1
25 1 . . . parsed_1sh1 1
26 1 . . . parsed_1sh1 1
27 1 . . . parsed_1sh1 1
28 1 . . . parsed_1sh1 1
29 1 . . . parsed_1sh1 1
30 1 . . . parsed_1sh1 1
31 1 . . . parsed_1sh1 1
32 1 . . . parsed_1sh1 1
33 1 . . . parsed_1sh1 1
34 1 . . . parsed_1sh1 1
35 1 . . . parsed_1sh1 1
36 1 . . . parsed_1sh1 1
37 1 . . . parsed_1sh1 1
38 1 . . . parsed_1sh1 1
39 1 . . . parsed_1sh1 1
40 1 . . . parsed_1sh1 1
41 1 . . . parsed_1sh1 1
42 1 . . . parsed_1sh1 1
43 1 . . . parsed_1sh1 1
44 1 . . . parsed_1sh1 1
45 1 . . . parsed_1sh1 1
46 1 . . . parsed_1sh1 1
47 1 . . . parsed_1sh1 1
48 1 . . . parsed_1sh1 1
49 1 . . . parsed_1sh1 1
50 1 . . . parsed_1sh1 1
51 1 . . . parsed_1sh1 1
52 1 . . . parsed_1sh1 1
53 1 . . . parsed_1sh1 1
54 1 . . . parsed_1sh1 1
55 1 . . . parsed_1sh1 1
56 1 . . . parsed_1sh1 1
57 1 . . . parsed_1sh1 1
58 1 . . . parsed_1sh1 1
59 1 . . . parsed_1sh1 1
60 1 . . . parsed_1sh1 1
61 1 . . . parsed_1sh1 1
62 1 . . . parsed_1sh1 1
63 1 . . . parsed_1sh1 1
64 1 . . . parsed_1sh1 1
65 1 . . . parsed_1sh1 1
66 1 . . . parsed_1sh1 1
67 1 . . . parsed_1sh1 1
68 1 . . . parsed_1sh1 1
69 1 . . . parsed_1sh1 1
70 1 . . . parsed_1sh1 1
71 1 . . . parsed_1sh1 1
72 1 . . . parsed_1sh1 1
73 1 . . . parsed_1sh1 1
74 1 . . . parsed_1sh1 1
75 1 . . . parsed_1sh1 1
76 1 . . . parsed_1sh1 1
77 1 . . . parsed_1sh1 1
78 1 . . . parsed_1sh1 1
79 1 . . . parsed_1sh1 1
80 1 . . . parsed_1sh1 1
81 1 . . . parsed_1sh1 1
82 1 . . . parsed_1sh1 1
83 1 . . . parsed_1sh1 1
84 1 . . . parsed_1sh1 1
85 1 . . . parsed_1sh1 1
86 1 . . . parsed_1sh1 1
87 1 . . . parsed_1sh1 1
88 1 . . . parsed_1sh1 1
89 1 . . . parsed_1sh1 1
90 1 . . . parsed_1sh1 1
91 1 . . . parsed_1sh1 1
92 1 . . . parsed_1sh1 1
93 1 . . . parsed_1sh1 1
94 1 . . . parsed_1sh1 1
95 1 . . . parsed_1sh1 1
96 1 . . . parsed_1sh1 1
97 1 . . . parsed_1sh1 1
98 1 . . . parsed_1sh1 1
99 1 . . . parsed_1sh1 1
100 1 . . . parsed_1sh1 1
101 1 . . . parsed_1sh1 1
102 1 . . . parsed_1sh1 1
103 1 . . . parsed_1sh1 1
104 1 . . . parsed_1sh1 1
105 1 . . . parsed_1sh1 1
106 1 . . . parsed_1sh1 1
107 1 . . . parsed_1sh1 1
108 1 . . . parsed_1sh1 1
109 1 . . . parsed_1sh1 1
110 1 . . . parsed_1sh1 1
111 1 . . . parsed_1sh1 1
112 1 . . . parsed_1sh1 1
113 1 . . . parsed_1sh1 1
114 1 . . . parsed_1sh1 1
115 1 . . . parsed_1sh1 1
116 1 . . . parsed_1sh1 1
117 1 . . . parsed_1sh1 1
118 1 . . . parsed_1sh1 1
119 1 . . . parsed_1sh1 1
120 1 . . . parsed_1sh1 1
121 1 . . . parsed_1sh1 1
122 1 . . . parsed_1sh1 1
123 1 . . . parsed_1sh1 1
124 1 . . . parsed_1sh1 1
125 1 . . . parsed_1sh1 1
126 1 . . . parsed_1sh1 1
127 1 . . . parsed_1sh1 1
128 1 . . . parsed_1sh1 1
129 1 . . . parsed_1sh1 1
130 1 . . . parsed_1sh1 1
131 1 . . . parsed_1sh1 1
132 1 . . . parsed_1sh1 1
133 1 . . . parsed_1sh1 1
134 1 . . . parsed_1sh1 1
135 1 . . . parsed_1sh1 1
136 1 . . . parsed_1sh1 1
137 1 . . . parsed_1sh1 1
138 1 . . . parsed_1sh1 1
139 1 . . . parsed_1sh1 1
140 1 . . . parsed_1sh1 1
141 1 . . . parsed_1sh1 1
142 1 . . . parsed_1sh1 1
143 1 . . . parsed_1sh1 1
144 1 . . . parsed_1sh1 1
145 1 . . . parsed_1sh1 1
146 1 . . . parsed_1sh1 1
147 1 . . . parsed_1sh1 1
148 1 . . . parsed_1sh1 1
149 1 . . . parsed_1sh1 1
150 1 . . . parsed_1sh1 1
151 1 . . . parsed_1sh1 1
152 1 . . . parsed_1sh1 1
153 1 . . . parsed_1sh1 1
154 1 . . . parsed_1sh1 1
155 1 . . . parsed_1sh1 1
156 1 . . . parsed_1sh1 1
157 1 . . . parsed_1sh1 1
158 1 . . . parsed_1sh1 1
159 1 . . . parsed_1sh1 1
160 1 . . . parsed_1sh1 1
161 1 . . . parsed_1sh1 1
162 1 . . . parsed_1sh1 1
163 1 . . . parsed_1sh1 1
164 1 . . . parsed_1sh1 1
165 1 . . . parsed_1sh1 1
166 1 . . . parsed_1sh1 1
167 1 . . . parsed_1sh1 1
168 1 . . . parsed_1sh1 1
169 1 . . . parsed_1sh1 1
170 1 . . . parsed_1sh1 1
171 1 . . . parsed_1sh1 1
172 1 . . . parsed_1sh1 1
173 1 . . . parsed_1sh1 1
174 1 . . . parsed_1sh1 1
175 1 . . . parsed_1sh1 1
176 1 . . . parsed_1sh1 1
177 1 . . . parsed_1sh1 1
178 1 . . . parsed_1sh1 1
179 1 . . . parsed_1sh1 1
180 1 . . . parsed_1sh1 1
181 1 . . . parsed_1sh1 1
182 1 . . . parsed_1sh1 1
183 1 . . . parsed_1sh1 1
184 1 . . . parsed_1sh1 1
185 1 . . . parsed_1sh1 1
186 1 . . . parsed_1sh1 1
187 1 . . . parsed_1sh1 1
188 1 . . . parsed_1sh1 1
189 1 . . . parsed_1sh1 1
190 1 . . . parsed_1sh1 1
191 1 . . . parsed_1sh1 1
192 1 . . . parsed_1sh1 1
193 1 . . . parsed_1sh1 1
194 1 . . . parsed_1sh1 1
195 1 . . . parsed_1sh1 1
196 1 . . . parsed_1sh1 1
197 1 . . . parsed_1sh1 1
198 1 . . . parsed_1sh1 1
199 1 . . . parsed_1sh1 1
200 1 . . . parsed_1sh1 1
201 1 . . . parsed_1sh1 1
202 1 . . . parsed_1sh1 1
203 1 . . . parsed_1sh1 1
204 1 . . . parsed_1sh1 1
205 1 . . . parsed_1sh1 1
206 1 . . . parsed_1sh1 1
207 1 . . . parsed_1sh1 1
208 1 . . . parsed_1sh1 1
209 1 . . . parsed_1sh1 1
210 1 . . . parsed_1sh1 1
211 1 . . . parsed_1sh1 1
212 1 . . . parsed_1sh1 1
213 1 . . . parsed_1sh1 1
214 1 . . . parsed_1sh1 1
215 1 . . . parsed_1sh1 1
216 1 . . . parsed_1sh1 1
217 1 . . . parsed_1sh1 1
218 1 . . . parsed_1sh1 1
219 1 . . . parsed_1sh1 1
220 1 . . . parsed_1sh1 1
221 1 . . . parsed_1sh1 1
222 1 . . . parsed_1sh1 1
223 1 . . . parsed_1sh1 1
224 1 . . . parsed_1sh1 1
225 1 . . . parsed_1sh1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 ALA HA parsed_1sh1 1
1 1 2 . . . . . . . . . 2 ALA HN parsed_1sh1 1
2 1 1 . . . . . . . . . 2 ALA HN parsed_1sh1 1
2 1 2 . . . . . . . . . 3 CYS HN parsed_1sh1 1
3 1 1 . . . . . . . . . 2 ALA HA parsed_1sh1 1
3 1 2 . . . . . . . . . 3 CYS HN parsed_1sh1 1
4 1 1 . . . . . . . . . 2 ALA MB parsed_1sh1 1
4 1 2 . . . . . . . . . 17 LEU QPB parsed_1sh1 1
5 1 1 . . . . . . . . . 2 ALA MB parsed_1sh1 1
5 1 2 . . . . . . . . . 17 LEU QQD parsed_1sh1 1
6 1 1 . . . . . . . . . 2 ALA HA parsed_1sh1 1
6 1 2 . . . . . . . . . 20 THR HA parsed_1sh1 1
7 1 1 . . . . . . . . . 2 ALA HA parsed_1sh1 1
7 1 2 . . . . . . . . . 20 THR MG parsed_1sh1 1
8 1 1 . . . . . . . . . 2 ALA HA parsed_1sh1 1
8 1 2 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
9 1 1 . . . . . . . . . 3 CYS QPB parsed_1sh1 1
9 1 2 . . . . . . . . . 4 LYS HN parsed_1sh1 1
10 1 1 . . . . . . . . . 3 CYS HN parsed_1sh1 1
10 1 2 . . . . . . . . . 17 LEU QQD parsed_1sh1 1
11 1 1 . . . . . . . . . 3 CYS HN parsed_1sh1 1
11 1 2 . . . . . . . . . 19 GLY HN parsed_1sh1 1
12 1 1 . . . . . . . . . 3 CYS HN parsed_1sh1 1
12 1 2 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
13 1 1 . . . . . . . . . 3 CYS HB1 parsed_1sh1 1
13 1 2 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
14 1 1 . . . . . . . . . 3 CYS HB2 parsed_1sh1 1
14 1 2 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
15 1 1 . . . . . . . . . 3 CYS QPB parsed_1sh1 1
15 1 2 . . . . . . . . . 37 TYR CZ4 parsed_1sh1 1
16 1 1 . . . . . . . . . 4 LYS HA parsed_1sh1 1
16 1 2 . . . . . . . . . 5 CYS HN parsed_1sh1 1
17 1 1 . . . . . . . . . 4 LYS HA parsed_1sh1 1
17 1 2 . . . . . . . . . 17 LEU HA parsed_1sh1 1
18 1 1 . . . . . . . . . 4 LYS HN parsed_1sh1 1
18 1 2 . . . . . . . . . 17 LEU QQD parsed_1sh1 1
19 1 1 . . . . . . . . . 4 LYS HA parsed_1sh1 1
19 1 2 . . . . . . . . . 17 LEU QQD parsed_1sh1 1
20 1 1 . . . . . . . . . 4 LYS HA parsed_1sh1 1
20 1 2 . . . . . . . . . 19 GLY HN parsed_1sh1 1
21 1 1 . . . . . . . . . 4 LYS HN parsed_1sh1 1
21 1 2 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
22 1 1 . . . . . . . . . 5 CYS HN parsed_1sh1 1
22 1 2 . . . . . . . . . 5 CYS QPB parsed_1sh1 1
23 1 1 . . . . . . . . . 5 CYS HA parsed_1sh1 1
23 1 2 . . . . . . . . . 6 ASP HN parsed_1sh1 1
24 1 1 . . . . . . . . . 5 CYS QPB parsed_1sh1 1
24 1 2 . . . . . . . . . 7 ASP HN parsed_1sh1 1
25 1 1 . . . . . . . . . 5 CYS HB1 parsed_1sh1 1
25 1 2 . . . . . . . . . 8 GLU QPG parsed_1sh1 1
26 1 1 . . . . . . . . . 5 CYS HB2 parsed_1sh1 1
26 1 2 . . . . . . . . . 8 GLU QPG parsed_1sh1 1
27 1 1 . . . . . . . . . 5 CYS HN parsed_1sh1 1
27 1 2 . . . . . . . . . 8 GLU QPG parsed_1sh1 1
28 1 1 . . . . . . . . . 5 CYS HN parsed_1sh1 1
28 1 2 . . . . . . . . . 17 LEU HA parsed_1sh1 1
29 1 1 . . . . . . . . . 5 CYS HN parsed_1sh1 1
29 1 2 . . . . . . . . . 17 LEU QQD parsed_1sh1 1
30 1 1 . . . . . . . . . 5 CYS HN parsed_1sh1 1
30 1 2 . . . . . . . . . 18 THR HN parsed_1sh1 1
31 1 1 . . . . . . . . . 5 CYS HA parsed_1sh1 1
31 1 2 . . . . . . . . . 34 ALA MB parsed_1sh1 1
32 1 1 . . . . . . . . . 6 ASP HN parsed_1sh1 1
32 1 2 . . . . . . . . . 6 ASP QPB parsed_1sh1 1
33 1 1 . . . . . . . . . 6 ASP HN parsed_1sh1 1
33 1 2 . . . . . . . . . 7 ASP HN parsed_1sh1 1
34 1 1 . . . . . . . . . 6 ASP HB1 parsed_1sh1 1
34 1 2 . . . . . . . . . 7 ASP HN parsed_1sh1 1
35 1 1 . . . . . . . . . 6 ASP HB2 parsed_1sh1 1
35 1 2 . . . . . . . . . 7 ASP HN parsed_1sh1 1
36 1 1 . . . . . . . . . 6 ASP QPB parsed_1sh1 1
36 1 2 . . . . . . . . . 34 ALA HA parsed_1sh1 1
37 1 1 . . . . . . . . . 7 ASP HN parsed_1sh1 1
37 1 2 . . . . . . . . . 7 ASP HB1 parsed_1sh1 1
38 1 1 . . . . . . . . . 7 ASP HN parsed_1sh1 1
38 1 2 . . . . . . . . . 7 ASP HB2 parsed_1sh1 1
39 1 1 . . . . . . . . . 7 ASP HN parsed_1sh1 1
39 1 2 . . . . . . . . . 8 GLU HN parsed_1sh1 1
40 1 1 . . . . . . . . . 8 GLU HN parsed_1sh1 1
40 1 2 . . . . . . . . . 8 GLU QPB parsed_1sh1 1
41 1 1 . . . . . . . . . 8 GLU HN parsed_1sh1 1
41 1 2 . . . . . . . . . 8 GLU QPG parsed_1sh1 1
42 1 1 . . . . . . . . . 8 GLU HN parsed_1sh1 1
42 1 2 . . . . . . . . . 9 GLY HN parsed_1sh1 1
43 1 1 . . . . . . . . . 8 GLU HA parsed_1sh1 1
43 1 2 . . . . . . . . . 9 GLY HN parsed_1sh1 1
44 1 1 . . . . . . . . . 8 GLU CB parsed_1sh1 1
44 1 2 . . . . . . . . . 16 PRO HD1 parsed_1sh1 1
45 1 1 . . . . . . . . . 8 GLU CG parsed_1sh1 1
45 1 2 . . . . . . . . . 16 PRO HD1 parsed_1sh1 1
46 1 1 . . . . . . . . . 8 GLU CB parsed_1sh1 1
46 1 2 . . . . . . . . . 16 PRO HD2 parsed_1sh1 1
47 1 1 . . . . . . . . . 8 GLU CG parsed_1sh1 1
47 1 2 . . . . . . . . . 16 PRO HD2 parsed_1sh1 1
48 1 1 . . . . . . . . . 8 GLU QPG parsed_1sh1 1
48 1 2 . . . . . . . . . 18 THR MG parsed_1sh1 1
49 1 1 . . . . . . . . . 9 GLY HN parsed_1sh1 1
49 1 2 . . . . . . . . . 10 PRO QPD parsed_1sh1 1
50 1 1 . . . . . . . . . 9 GLY QPA parsed_1sh1 1
50 1 2 . . . . . . . . . 10 PRO QPD parsed_1sh1 1
51 1 1 . . . . . . . . . 10 PRO HD1 parsed_1sh1 1
51 1 2 . . . . . . . . . 11 ASP HN parsed_1sh1 1
52 1 1 . . . . . . . . . 10 PRO HD2 parsed_1sh1 1
52 1 2 . . . . . . . . . 11 ASP HN parsed_1sh1 1
53 1 1 . . . . . . . . . 10 PRO HA parsed_1sh1 1
53 1 2 . . . . . . . . . 11 ASP HN parsed_1sh1 1
54 1 1 . . . . . . . . . 11 ASP HN parsed_1sh1 1
54 1 2 . . . . . . . . . 11 ASP HB1 parsed_1sh1 1
55 1 1 . . . . . . . . . 11 ASP HN parsed_1sh1 1
55 1 2 . . . . . . . . . 11 ASP HB2 parsed_1sh1 1
56 1 1 . . . . . . . . . 11 ASP HN parsed_1sh1 1
56 1 2 . . . . . . . . . 12 ILE HN parsed_1sh1 1
57 1 1 . . . . . . . . . 12 ILE HA parsed_1sh1 1
57 1 2 . . . . . . . . . 13 ARG HN parsed_1sh1 1
58 1 1 . . . . . . . . . 12 ILE MG parsed_1sh1 1
58 1 2 . . . . . . . . . 13 ARG HA parsed_1sh1 1
59 1 1 . . . . . . . . . 12 ILE HA parsed_1sh1 1
59 1 2 . . . . . . . . . 15 ALA HN parsed_1sh1 1
60 1 1 . . . . . . . . . 13 ARG HN parsed_1sh1 1
60 1 2 . . . . . . . . . 14 THR HN parsed_1sh1 1
61 1 1 . . . . . . . . . 13 ARG HA parsed_1sh1 1
61 1 2 . . . . . . . . . 14 THR HN parsed_1sh1 1
62 1 1 . . . . . . . . . 15 ALA HA parsed_1sh1 1
62 1 2 . . . . . . . . . 16 PRO HD1 parsed_1sh1 1
63 1 1 . . . . . . . . . 15 ALA HA parsed_1sh1 1
63 1 2 . . . . . . . . . 16 PRO HD2 parsed_1sh1 1
64 1 1 . . . . . . . . . 16 PRO HD1 parsed_1sh1 1
64 1 2 . . . . . . . . . 17 LEU HN parsed_1sh1 1
65 1 1 . . . . . . . . . 16 PRO HD2 parsed_1sh1 1
65 1 2 . . . . . . . . . 17 LEU HN parsed_1sh1 1
66 1 1 . . . . . . . . . 17 LEU HN parsed_1sh1 1
66 1 2 . . . . . . . . . 18 THR HN parsed_1sh1 1
67 1 1 . . . . . . . . . 17 LEU HA parsed_1sh1 1
67 1 2 . . . . . . . . . 18 THR HN parsed_1sh1 1
68 1 1 . . . . . . . . . 17 LEU HB1 parsed_1sh1 1
68 1 2 . . . . . . . . . 18 THR HN parsed_1sh1 1
69 1 1 . . . . . . . . . 17 LEU HB2 parsed_1sh1 1
69 1 2 . . . . . . . . . 18 THR HN parsed_1sh1 1
70 1 1 . . . . . . . . . 17 LEU HA parsed_1sh1 1
70 1 2 . . . . . . . . . 19 GLY HN parsed_1sh1 1
71 1 1 . . . . . . . . . 18 THR HN parsed_1sh1 1
71 1 2 . . . . . . . . . 19 GLY HN parsed_1sh1 1
72 1 1 . . . . . . . . . 18 THR HB parsed_1sh1 1
72 1 2 . . . . . . . . . 45 ARG HD1 parsed_1sh1 1
73 1 1 . . . . . . . . . 18 THR HB parsed_1sh1 1
73 1 2 . . . . . . . . . 45 ARG HD2 parsed_1sh1 1
74 1 1 . . . . . . . . . 19 GLY HN parsed_1sh1 1
74 1 2 . . . . . . . . . 20 THR HN parsed_1sh1 1
75 1 1 . . . . . . . . . 19 GLY QPA parsed_1sh1 1
75 1 2 . . . . . . . . . 45 ARG HA parsed_1sh1 1
76 1 1 . . . . . . . . . 20 THR HB parsed_1sh1 1
76 1 2 . . . . . . . . . 21 VAL HN parsed_1sh1 1
77 1 1 . . . . . . . . . 20 THR HN parsed_1sh1 1
77 1 2 . . . . . . . . . 30 TRP CZ5 parsed_1sh1 1
78 1 1 . . . . . . . . . 20 THR HN parsed_1sh1 1
78 1 2 . . . . . . . . . 30 TRP CH6 parsed_1sh1 1
79 1 1 . . . . . . . . . 20 THR HB parsed_1sh1 1
79 1 2 . . . . . . . . . 30 TRP HE4 parsed_1sh1 1
80 1 1 . . . . . . . . . 20 THR HB parsed_1sh1 1
80 1 2 . . . . . . . . . 30 TRP CZ5 parsed_1sh1 1
81 1 1 . . . . . . . . . 20 THR HB parsed_1sh1 1
81 1 2 . . . . . . . . . 30 TRP CH6 parsed_1sh1 1
82 1 1 . . . . . . . . . 20 THR MG parsed_1sh1 1
82 1 2 . . . . . . . . . 30 TRP CZ5 parsed_1sh1 1
83 1 1 . . . . . . . . . 20 THR MG parsed_1sh1 1
83 1 2 . . . . . . . . . 30 TRP CH6 parsed_1sh1 1
84 1 1 . . . . . . . . . 20 THR HN parsed_1sh1 1
84 1 2 . . . . . . . . . 44 CYS HN parsed_1sh1 1
85 1 1 . . . . . . . . . 20 THR HB parsed_1sh1 1
85 1 2 . . . . . . . . . 44 CYS HN parsed_1sh1 1
86 1 1 . . . . . . . . . 21 VAL HN parsed_1sh1 1
86 1 2 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
87 1 1 . . . . . . . . . 21 VAL HN parsed_1sh1 1
87 1 2 . . . . . . . . . 21 VAL HB parsed_1sh1 1
88 1 1 . . . . . . . . . 21 VAL HA parsed_1sh1 1
88 1 2 . . . . . . . . . 22 ASP HN parsed_1sh1 1
89 1 1 . . . . . . . . . 21 VAL MG1 parsed_1sh1 1
89 1 2 . . . . . . . . . 22 ASP HA parsed_1sh1 1
90 1 1 . . . . . . . . . 21 VAL MG1 parsed_1sh1 1
90 1 2 . . . . . . . . . 37 TYR CG1 parsed_1sh1 1
91 1 1 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
91 1 2 . . . . . . . . . 37 TYR CG1 parsed_1sh1 1
92 1 1 . . . . . . . . . 21 VAL MG1 parsed_1sh1 1
92 1 2 . . . . . . . . . 37 TYR CZ4 parsed_1sh1 1
93 1 1 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
93 1 2 . . . . . . . . . 37 TYR CZ4 parsed_1sh1 1
94 1 1 . . . . . . . . . 21 VAL MG1 parsed_1sh1 1
94 1 2 . . . . . . . . . 41 ALA MB parsed_1sh1 1
95 1 1 . . . . . . . . . 21 VAL MG2 parsed_1sh1 1
95 1 2 . . . . . . . . . 41 ALA MB parsed_1sh1 1
96 1 1 . . . . . . . . . 21 VAL HA parsed_1sh1 1
96 1 2 . . . . . . . . . 43 CYS HA parsed_1sh1 1
97 1 1 . . . . . . . . . 21 VAL HA parsed_1sh1 1
97 1 2 . . . . . . . . . 44 CYS HN parsed_1sh1 1
98 1 1 . . . . . . . . . 22 ASP HN parsed_1sh1 1
98 1 2 . . . . . . . . . 41 ALA MB parsed_1sh1 1
99 1 1 . . . . . . . . . 22 ASP HN parsed_1sh1 1
99 1 2 . . . . . . . . . 42 ASP HN parsed_1sh1 1
100 1 1 . . . . . . . . . 23 LEU HA parsed_1sh1 1
100 1 2 . . . . . . . . . 24 GLY HN parsed_1sh1 1
101 1 1 . . . . . . . . . 23 LEU HA parsed_1sh1 1
101 1 2 . . . . . . . . . 41 ALA HA parsed_1sh1 1
102 1 1 . . . . . . . . . 23 LEU HA parsed_1sh1 1
102 1 2 . . . . . . . . . 41 ALA MB parsed_1sh1 1
103 1 1 . . . . . . . . . 24 GLY HN parsed_1sh1 1
103 1 2 . . . . . . . . . 25 SER HN parsed_1sh1 1
104 1 1 . . . . . . . . . 25 SER HA parsed_1sh1 1
104 1 2 . . . . . . . . . 26 CYS HN parsed_1sh1 1
105 1 1 . . . . . . . . . 25 SER QPB parsed_1sh1 1
105 1 2 . . . . . . . . . 26 CYS HN parsed_1sh1 1
106 1 1 . . . . . . . . . 25 SER HA parsed_1sh1 1
106 1 2 . . . . . . . . . 42 ASP QPB parsed_1sh1 1
107 1 1 . . . . . . . . . 26 CYS QPB parsed_1sh1 1
107 1 2 . . . . . . . . . 30 TRP QPB parsed_1sh1 1
108 1 1 . . . . . . . . . 26 CYS QPB parsed_1sh1 1
108 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
109 1 1 . . . . . . . . . 27 ASN HN parsed_1sh1 1
109 1 2 . . . . . . . . . 27 ASN HB1 parsed_1sh1 1
110 1 1 . . . . . . . . . 27 ASN HN parsed_1sh1 1
110 1 2 . . . . . . . . . 27 ASN HB2 parsed_1sh1 1
111 1 1 . . . . . . . . . 27 ASN HA parsed_1sh1 1
111 1 2 . . . . . . . . . 28 ALA HN parsed_1sh1 1
112 1 1 . . . . . . . . . 27 ASN QPB parsed_1sh1 1
112 1 2 . . . . . . . . . 28 ALA HN parsed_1sh1 1
113 1 1 . . . . . . . . . 27 ASN HN parsed_1sh1 1
113 1 2 . . . . . . . . . 30 TRP QPB parsed_1sh1 1
114 1 1 . . . . . . . . . 27 ASN QPB parsed_1sh1 1
114 1 2 . . . . . . . . . 30 TRP HD2 parsed_1sh1 1
115 1 1 . . . . . . . . . 27 ASN HB1 parsed_1sh1 1
115 1 2 . . . . . . . . . 30 TRP HE1 parsed_1sh1 1
116 1 1 . . . . . . . . . 27 ASN HB2 parsed_1sh1 1
116 1 2 . . . . . . . . . 30 TRP HE1 parsed_1sh1 1
117 1 1 . . . . . . . . . 28 ALA HA parsed_1sh1 1
117 1 2 . . . . . . . . . 29 GLY HN parsed_1sh1 1
118 1 1 . . . . . . . . . 28 ALA HA parsed_1sh1 1
118 1 2 . . . . . . . . . 30 TRP HN parsed_1sh1 1
119 1 1 . . . . . . . . . 29 GLY HN parsed_1sh1 1
119 1 2 . . . . . . . . . 30 TRP HN parsed_1sh1 1
120 1 1 . . . . . . . . . 29 GLY QPA parsed_1sh1 1
120 1 2 . . . . . . . . . 30 TRP HD2 parsed_1sh1 1
121 1 1 . . . . . . . . . 30 TRP HN parsed_1sh1 1
121 1 2 . . . . . . . . . 30 TRP HB1 parsed_1sh1 1
122 1 1 . . . . . . . . . 30 TRP HN parsed_1sh1 1
122 1 2 . . . . . . . . . 30 TRP HB2 parsed_1sh1 1
123 1 1 . . . . . . . . . 30 TRP HN parsed_1sh1 1
123 1 2 . . . . . . . . . 30 TRP HD2 parsed_1sh1 1
124 1 1 . . . . . . . . . 30 TRP HB1 parsed_1sh1 1
124 1 2 . . . . . . . . . 30 TRP HD2 parsed_1sh1 1
125 1 1 . . . . . . . . . 30 TRP HB2 parsed_1sh1 1
125 1 2 . . . . . . . . . 30 TRP HD2 parsed_1sh1 1
126 1 1 . . . . . . . . . 30 TRP QPB parsed_1sh1 1
126 1 2 . . . . . . . . . 30 TRP HE4 parsed_1sh1 1
127 1 1 . . . . . . . . . 30 TRP QPB parsed_1sh1 1
127 1 2 . . . . . . . . . 31 GLU HN parsed_1sh1 1
128 1 1 . . . . . . . . . 30 TRP HE4 parsed_1sh1 1
128 1 2 . . . . . . . . . 31 GLU HN parsed_1sh1 1
129 1 1 . . . . . . . . . 30 TRP HE4 parsed_1sh1 1
129 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
130 1 1 . . . . . . . . . 30 TRP QPB parsed_1sh1 1
130 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
131 1 1 . . . . . . . . . 30 TRP HE4 parsed_1sh1 1
131 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
132 1 1 . . . . . . . . . 30 TRP HE4 parsed_1sh1 1
132 1 2 . . . . . . . . . 45 ARG HA parsed_1sh1 1
133 1 1 . . . . . . . . . 30 TRP CZ5 parsed_1sh1 1
133 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
134 1 1 . . . . . . . . . 30 TRP CH6 parsed_1sh1 1
134 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
135 1 1 . . . . . . . . . 30 TRP CZ5 parsed_1sh1 1
135 1 2 . . . . . . . . . 45 ARG HA parsed_1sh1 1
136 1 1 . . . . . . . . . 30 TRP CH6 parsed_1sh1 1
136 1 2 . . . . . . . . . 45 ARG HA parsed_1sh1 1
137 1 1 . . . . . . . . . 30 TRP HE4 parsed_1sh1 1
137 1 2 . . . . . . . . . 46 LYS HN parsed_1sh1 1
138 1 1 . . . . . . . . . 30 TRP CZ5 parsed_1sh1 1
138 1 2 . . . . . . . . . 46 LYS HN parsed_1sh1 1
139 1 1 . . . . . . . . . 30 TRP CH6 parsed_1sh1 1
139 1 2 . . . . . . . . . 46 LYS HN parsed_1sh1 1
140 1 1 . . . . . . . . . 30 TRP HA parsed_1sh1 1
140 1 2 . . . . . . . . . 46 LYS HA parsed_1sh1 1
141 1 1 . . . . . . . . . 30 TRP HE4 parsed_1sh1 1
141 1 2 . . . . . . . . . 46 LYS HA parsed_1sh1 1
142 1 1 . . . . . . . . . 30 TRP HD2 parsed_1sh1 1
142 1 2 . . . . . . . . . 46 LYS HA parsed_1sh1 1
143 1 1 . . . . . . . . . 30 TRP CZ5 parsed_1sh1 1
143 1 2 . . . . . . . . . 46 LYS QPB parsed_1sh1 1
144 1 1 . . . . . . . . . 30 TRP CH6 parsed_1sh1 1
144 1 2 . . . . . . . . . 46 LYS QPB parsed_1sh1 1
145 1 1 . . . . . . . . . 30 TRP HE1 parsed_1sh1 1
145 1 2 . . . . . . . . . 46 LYS HG1 parsed_1sh1 1
146 1 1 . . . . . . . . . 30 TRP HE1 parsed_1sh1 1
146 1 2 . . . . . . . . . 46 LYS HG2 parsed_1sh1 1
147 1 1 . . . . . . . . . 30 TRP HE1 parsed_1sh1 1
147 1 2 . . . . . . . . . 46 LYS QPD parsed_1sh1 1
148 1 1 . . . . . . . . . 30 TRP HE1 parsed_1sh1 1
148 1 2 . . . . . . . . . 46 LYS QPE parsed_1sh1 1
149 1 1 . . . . . . . . . 30 TRP HZ7 parsed_1sh1 1
149 1 2 . . . . . . . . . 46 LYS QPE parsed_1sh1 1
150 1 1 . . . . . . . . . 30 TRP HZ7 parsed_1sh1 1
150 1 2 . . . . . . . . . 46 LYS QPD parsed_1sh1 1
151 1 1 . . . . . . . . . 30 TRP HA parsed_1sh1 1
151 1 2 . . . . . . . . . 47 LYS HN parsed_1sh1 1
152 1 1 . . . . . . . . . 31 GLU HN parsed_1sh1 1
152 1 2 . . . . . . . . . 31 GLU QPG parsed_1sh1 1
153 1 1 . . . . . . . . . 31 GLU HA parsed_1sh1 1
153 1 2 . . . . . . . . . 32 LYS HN parsed_1sh1 1
154 1 1 . . . . . . . . . 31 GLU HN parsed_1sh1 1
154 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
155 1 1 . . . . . . . . . 31 GLU HN parsed_1sh1 1
155 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
156 1 1 . . . . . . . . . 31 GLU QPG parsed_1sh1 1
156 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
157 1 1 . . . . . . . . . 31 GLU HN parsed_1sh1 1
157 1 2 . . . . . . . . . 46 LYS HA parsed_1sh1 1
158 1 1 . . . . . . . . . 31 GLU HN parsed_1sh1 1
158 1 2 . . . . . . . . . 47 LYS HN parsed_1sh1 1
159 1 1 . . . . . . . . . 31 GLU HN parsed_1sh1 1
159 1 2 . . . . . . . . . 47 LYS HG1 parsed_1sh1 1
160 1 1 . . . . . . . . . 31 GLU HN parsed_1sh1 1
160 1 2 . . . . . . . . . 47 LYS HG2 parsed_1sh1 1
161 1 1 . . . . . . . . . 32 LYS HN parsed_1sh1 1
161 1 2 . . . . . . . . . 32 LYS HB1 parsed_1sh1 1
162 1 1 . . . . . . . . . 32 LYS HN parsed_1sh1 1
162 1 2 . . . . . . . . . 32 LYS HB2 parsed_1sh1 1
163 1 1 . . . . . . . . . 32 LYS HA parsed_1sh1 1
163 1 2 . . . . . . . . . 33 CYS HN parsed_1sh1 1
164 1 1 . . . . . . . . . 32 LYS QPB parsed_1sh1 1
164 1 2 . . . . . . . . . 34 ALA HN parsed_1sh1 1
165 1 1 . . . . . . . . . 32 LYS HA parsed_1sh1 1
165 1 2 . . . . . . . . . 34 ALA HN parsed_1sh1 1
166 1 1 . . . . . . . . . 32 LYS QPE parsed_1sh1 1
166 1 2 . . . . . . . . . 35 SER HA parsed_1sh1 1
167 1 1 . . . . . . . . . 32 LYS HA parsed_1sh1 1
167 1 2 . . . . . . . . . 42 ASP QPB parsed_1sh1 1
168 1 1 . . . . . . . . . 32 LYS HA parsed_1sh1 1
168 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
169 1 1 . . . . . . . . . 32 LYS HB1 parsed_1sh1 1
169 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
170 1 1 . . . . . . . . . 32 LYS HB2 parsed_1sh1 1
170 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
171 1 1 . . . . . . . . . 32 LYS HG1 parsed_1sh1 1
171 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
172 1 1 . . . . . . . . . 32 LYS HG2 parsed_1sh1 1
172 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
173 1 1 . . . . . . . . . 32 LYS HA parsed_1sh1 1
173 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
174 1 1 . . . . . . . . . 33 CYS HN parsed_1sh1 1
174 1 2 . . . . . . . . . 34 ALA HN parsed_1sh1 1
175 1 1 . . . . . . . . . 33 CYS HN parsed_1sh1 1
175 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
176 1 1 . . . . . . . . . 33 CYS QPB parsed_1sh1 1
176 1 2 . . . . . . . . . 44 CYS HA parsed_1sh1 1
177 1 1 . . . . . . . . . 33 CYS QPB parsed_1sh1 1
177 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
178 1 1 . . . . . . . . . 34 ALA MB parsed_1sh1 1
178 1 2 . . . . . . . . . 43 CYS QPB parsed_1sh1 1
179 1 1 . . . . . . . . . 34 ALA MB parsed_1sh1 1
179 1 2 . . . . . . . . . 36 TYR HN parsed_1sh1 1
180 1 1 . . . . . . . . . 35 SER HN parsed_1sh1 1
180 1 2 . . . . . . . . . 36 TYR HN parsed_1sh1 1
181 1 1 . . . . . . . . . 35 SER HA parsed_1sh1 1
181 1 2 . . . . . . . . . 36 TYR HN parsed_1sh1 1
182 1 1 . . . . . . . . . 36 TYR HN parsed_1sh1 1
182 1 2 . . . . . . . . . 36 TYR QPB parsed_1sh1 1
183 1 1 . . . . . . . . . 36 TYR CZ4 parsed_1sh1 1
183 1 2 . . . . . . . . . 38 THR HA parsed_1sh1 1
184 1 1 . . . . . . . . . 36 TYR CZ4 parsed_1sh1 1
184 1 2 . . . . . . . . . 39 ILE HA parsed_1sh1 1
185 1 1 . . . . . . . . . 37 TYR HN parsed_1sh1 1
185 1 2 . . . . . . . . . 38 THR HN parsed_1sh1 1
186 1 1 . . . . . . . . . 37 TYR HB1 parsed_1sh1 1
186 1 2 . . . . . . . . . 38 THR HN parsed_1sh1 1
187 1 1 . . . . . . . . . 37 TYR HB2 parsed_1sh1 1
187 1 2 . . . . . . . . . 38 THR HN parsed_1sh1 1
188 1 1 . . . . . . . . . 37 TYR CG1 parsed_1sh1 1
188 1 2 . . . . . . . . . 38 THR MG parsed_1sh1 1
189 1 1 . . . . . . . . . 37 TYR CZ4 parsed_1sh1 1
189 1 2 . . . . . . . . . 38 THR MG parsed_1sh1 1
190 1 1 . . . . . . . . . 37 TYR CG1 parsed_1sh1 1
190 1 2 . . . . . . . . . 41 ALA MB parsed_1sh1 1
191 1 1 . . . . . . . . . 37 TYR CZ4 parsed_1sh1 1
191 1 2 . . . . . . . . . 41 ALA MB parsed_1sh1 1
192 1 1 . . . . . . . . . 37 TYR CG1 parsed_1sh1 1
192 1 2 . . . . . . . . . 42 ASP HA parsed_1sh1 1
193 1 1 . . . . . . . . . 37 TYR HB1 parsed_1sh1 1
193 1 2 . . . . . . . . . 43 CYS HN parsed_1sh1 1
194 1 1 . . . . . . . . . 37 TYR HB2 parsed_1sh1 1
194 1 2 . . . . . . . . . 43 CYS HN parsed_1sh1 1
195 1 1 . . . . . . . . . 37 TYR QPB parsed_1sh1 1
195 1 2 . . . . . . . . . 43 CYS QPB parsed_1sh1 1
196 1 1 . . . . . . . . . 37 TYR CG1 parsed_1sh1 1
196 1 2 . . . . . . . . . 43 CYS HN parsed_1sh1 1
197 1 1 . . . . . . . . . 37 TYR CG1 parsed_1sh1 1
197 1 2 . . . . . . . . . 43 CYS QPB parsed_1sh1 1
198 1 1 . . . . . . . . . 38 THR HA parsed_1sh1 1
198 1 2 . . . . . . . . . 39 ILE HN parsed_1sh1 1
199 1 1 . . . . . . . . . 38 THR HB parsed_1sh1 1
199 1 2 . . . . . . . . . 39 ILE HN parsed_1sh1 1
200 1 1 . . . . . . . . . 38 THR HB parsed_1sh1 1
200 1 2 . . . . . . . . . 40 ILE HN parsed_1sh1 1
201 1 1 . . . . . . . . . 38 THR HN parsed_1sh1 1
201 1 2 . . . . . . . . . 41 ALA MB parsed_1sh1 1
202 1 1 . . . . . . . . . 38 THR HN parsed_1sh1 1
202 1 2 . . . . . . . . . 42 ASP HA parsed_1sh1 1
203 1 1 . . . . . . . . . 39 ILE HN parsed_1sh1 1
203 1 2 . . . . . . . . . 39 ILE HB parsed_1sh1 1
204 1 1 . . . . . . . . . 39 ILE HN parsed_1sh1 1
204 1 2 . . . . . . . . . 40 ILE HN parsed_1sh1 1
205 1 1 . . . . . . . . . 40 ILE HN parsed_1sh1 1
205 1 2 . . . . . . . . . 40 ILE HG1 parsed_1sh1 1
206 1 1 . . . . . . . . . 40 ILE HN parsed_1sh1 1
206 1 2 . . . . . . . . . 40 ILE HG2 parsed_1sh1 1
207 1 1 . . . . . . . . . 40 ILE HN parsed_1sh1 1
207 1 2 . . . . . . . . . 41 ALA HN parsed_1sh1 1
208 1 1 . . . . . . . . . 40 ILE HB parsed_1sh1 1
208 1 2 . . . . . . . . . 41 ALA HN parsed_1sh1 1
209 1 1 . . . . . . . . . 42 ASP HA parsed_1sh1 1
209 1 2 . . . . . . . . . 43 CYS HN parsed_1sh1 1
210 1 1 . . . . . . . . . 42 ASP HB1 parsed_1sh1 1
210 1 2 . . . . . . . . . 43 CYS HN parsed_1sh1 1
211 1 1 . . . . . . . . . 42 ASP HB2 parsed_1sh1 1
211 1 2 . . . . . . . . . 43 CYS HN parsed_1sh1 1
212 1 1 . . . . . . . . . 44 CYS HN parsed_1sh1 1
212 1 2 . . . . . . . . . 44 CYS QPB parsed_1sh1 1
213 1 1 . . . . . . . . . 44 CYS HA parsed_1sh1 1
213 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
214 1 1 . . . . . . . . . 44 CYS HB1 parsed_1sh1 1
214 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
215 1 1 . . . . . . . . . 44 CYS HB2 parsed_1sh1 1
215 1 2 . . . . . . . . . 45 ARG HN parsed_1sh1 1
216 1 1 . . . . . . . . . 45 ARG HA parsed_1sh1 1
216 1 2 . . . . . . . . . 46 LYS HN parsed_1sh1 1
217 1 1 . . . . . . . . . 46 LYS HN parsed_1sh1 1
217 1 2 . . . . . . . . . 46 LYS HB1 parsed_1sh1 1
218 1 1 . . . . . . . . . 46 LYS HN parsed_1sh1 1
218 1 2 . . . . . . . . . 46 LYS HB2 parsed_1sh1 1
219 1 1 . . . . . . . . . 46 LYS HA parsed_1sh1 1
219 1 2 . . . . . . . . . 47 LYS HN parsed_1sh1 1
220 1 1 . . . . . . . . . 46 LYS HG1 parsed_1sh1 1
220 1 2 . . . . . . . . . 47 LYS HN parsed_1sh1 1
221 1 1 . . . . . . . . . 46 LYS HG2 parsed_1sh1 1
221 1 2 . . . . . . . . . 47 LYS HN parsed_1sh1 1
222 1 1 . . . . . . . . . 47 LYS HN parsed_1sh1 1
222 1 2 . . . . . . . . . 48 LYS HN parsed_1sh1 1
223 1 1 . . . . . . . . . 47 LYS HA parsed_1sh1 1
223 1 2 . . . . . . . . . 48 LYS HN parsed_1sh1 1
224 1 1 . . . . . . . . . 47 LYS HB1 parsed_1sh1 1
224 1 2 . . . . . . . . . 48 LYS HN parsed_1sh1 1
225 1 1 . . . . . . . . . 47 LYS HB2 parsed_1sh1 1
225 1 2 . . . . . . . . . 48 LYS HN parsed_1sh1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.5 parsed_1sh1 1
2 1 . . . . . . . 4.5 parsed_1sh1 1
3 1 . . . . . . . 3.1 parsed_1sh1 1
4 1 . . . . . . . 7.4 parsed_1sh1 1
5 1 . . . . . . . 8.7 parsed_1sh1 1
6 1 . . . . . . . 3.0 parsed_1sh1 1
7 1 . . . . . . . 6.9 parsed_1sh1 1
8 1 . . . . . . . 6.9 parsed_1sh1 1
9 1 . . . . . . . 4.0 parsed_1sh1 1
10 1 . . . . . . . 8.5 parsed_1sh1 1
11 1 . . . . . . . 5.5 parsed_1sh1 1
12 1 . . . . . . . 6.9 parsed_1sh1 1
13 1 . . . . . . . 4.6 parsed_1sh1 1
14 1 . . . . . . . 4.6 parsed_1sh1 1
15 1 . . . . . . . 6.6 parsed_1sh1 1
16 1 . . . . . . . 3.1 parsed_1sh1 1
17 1 . . . . . . . 3.6 parsed_1sh1 1
18 1 . . . . . . . 7.7 parsed_1sh1 1
19 1 . . . . . . . 5.8 parsed_1sh1 1
20 1 . . . . . . . 5.5 parsed_1sh1 1
21 1 . . . . . . . 7.3 parsed_1sh1 1
22 1 . . . . . . . 3.7 parsed_1sh1 1
23 1 . . . . . . . 3.1 parsed_1sh1 1
24 1 . . . . . . . 6.4 parsed_1sh1 1
25 1 . . . . . . . 6.4 parsed_1sh1 1
26 1 . . . . . . . 6.4 parsed_1sh1 1
27 1 . . . . . . . 6.4 parsed_1sh1 1
28 1 . . . . . . . 5.5 parsed_1sh1 1
29 1 . . . . . . . 8.5 parsed_1sh1 1
30 1 . . . . . . . 5.5 parsed_1sh1 1
31 1 . . . . . . . 6.5 parsed_1sh1 1
32 1 . . . . . . . 3.7 parsed_1sh1 1
33 1 . . . . . . . 3.1 parsed_1sh1 1
34 1 . . . . . . . 4.5 parsed_1sh1 1
35 1 . . . . . . . 4.5 parsed_1sh1 1
36 1 . . . . . . . 6.4 parsed_1sh1 1
37 1 . . . . . . . 3.1 parsed_1sh1 1
38 1 . . . . . . . 3.1 parsed_1sh1 1
39 1 . . . . . . . 3.1 parsed_1sh1 1
40 1 . . . . . . . 3.7 parsed_1sh1 1
41 1 . . . . . . . 4.5 parsed_1sh1 1
42 1 . . . . . . . 3.1 parsed_1sh1 1
43 1 . . . . . . . 3.1 parsed_1sh1 1
44 1 . . . . . . . 8.1 parsed_1sh1 1
45 1 . . . . . . . 8.1 parsed_1sh1 1
46 1 . . . . . . . 8.1 parsed_1sh1 1
47 1 . . . . . . . 8.1 parsed_1sh1 1
48 1 . . . . . . . 7.8 parsed_1sh1 1
49 1 . . . . . . . 5.4 parsed_1sh1 1
50 1 . . . . . . . 4.8 parsed_1sh1 1
51 1 . . . . . . . 4.5 parsed_1sh1 1
52 1 . . . . . . . 4.5 parsed_1sh1 1
53 1 . . . . . . . 3.1 parsed_1sh1 1
54 1 . . . . . . . 3.1 parsed_1sh1 1
55 1 . . . . . . . 3.1 parsed_1sh1 1
56 1 . . . . . . . 4.5 parsed_1sh1 1
57 1 . . . . . . . 3.1 parsed_1sh1 1
58 1 . . . . . . . 6.5 parsed_1sh1 1
59 1 . . . . . . . 5.5 parsed_1sh1 1
60 1 . . . . . . . 3.1 parsed_1sh1 1
61 1 . . . . . . . 3.1 parsed_1sh1 1
62 1 . . . . . . . 3.1 parsed_1sh1 1
63 1 . . . . . . . 3.1 parsed_1sh1 1
64 1 . . . . . . . 4.5 parsed_1sh1 1
65 1 . . . . . . . 4.5 parsed_1sh1 1
66 1 . . . . . . . 4.5 parsed_1sh1 1
67 1 . . . . . . . 3.1 parsed_1sh1 1
68 1 . . . . . . . 4.5 parsed_1sh1 1
69 1 . . . . . . . 4.5 parsed_1sh1 1
70 1 . . . . . . . 5.5 parsed_1sh1 1
71 1 . . . . . . . 3.1 parsed_1sh1 1
72 1 . . . . . . . 5.5 parsed_1sh1 1
73 1 . . . . . . . 5.5 parsed_1sh1 1
74 1 . . . . . . . 4.5 parsed_1sh1 1
75 1 . . . . . . . 6.3 parsed_1sh1 1
76 1 . . . . . . . 4.5 parsed_1sh1 1
77 1 . . . . . . . 7.9 parsed_1sh1 1
78 1 . . . . . . . 7.9 parsed_1sh1 1
79 1 . . . . . . . 5.5 parsed_1sh1 1
80 1 . . . . . . . 5.4 parsed_1sh1 1
81 1 . . . . . . . 5.4 parsed_1sh1 1
82 1 . . . . . . . 8.9 parsed_1sh1 1
83 1 . . . . . . . 8.9 parsed_1sh1 1
84 1 . . . . . . . 5.5 parsed_1sh1 1
85 1 . . . . . . . 5.5 parsed_1sh1 1
86 1 . . . . . . . 4.6 parsed_1sh1 1
87 1 . . . . . . . 3.1 parsed_1sh1 1
88 1 . . . . . . . 2.5 parsed_1sh1 1
89 1 . . . . . . . 6.5 parsed_1sh1 1
90 1 . . . . . . . 8.6 parsed_1sh1 1
91 1 . . . . . . . 9.0 parsed_1sh1 1
92 1 . . . . . . . 6.7 parsed_1sh1 1
93 1 . . . . . . . 8.6 parsed_1sh1 1
94 1 . . . . . . . 5.6 parsed_1sh1 1
95 1 . . . . . . . 7.9 parsed_1sh1 1
96 1 . . . . . . . 3.6 parsed_1sh1 1
97 1 . . . . . . . 5.5 parsed_1sh1 1
98 1 . . . . . . . 6.9 parsed_1sh1 1
99 1 . . . . . . . 5.5 parsed_1sh1 1
100 1 . . . . . . . 2.5 parsed_1sh1 1
101 1 . . . . . . . 3.6 parsed_1sh1 1
102 1 . . . . . . . 4.6 parsed_1sh1 1
103 1 . . . . . . . 4.5 parsed_1sh1 1
104 1 . . . . . . . 3.1 parsed_1sh1 1
105 1 . . . . . . . 4.0 parsed_1sh1 1
106 1 . . . . . . . 6.4 parsed_1sh1 1
107 1 . . . . . . . 7.3 parsed_1sh1 1
108 1 . . . . . . . 6.4 parsed_1sh1 1
109 1 . . . . . . . 3.1 parsed_1sh1 1
110 1 . . . . . . . 3.1 parsed_1sh1 1
111 1 . . . . . . . 2.5 parsed_1sh1 1
112 1 . . . . . . . 4.0 parsed_1sh1 1
113 1 . . . . . . . 6.4 parsed_1sh1 1
114 1 . . . . . . . 4.5 parsed_1sh1 1
115 1 . . . . . . . 5.5 parsed_1sh1 1
116 1 . . . . . . . 5.5 parsed_1sh1 1
117 1 . . . . . . . 2.5 parsed_1sh1 1
118 1 . . . . . . . 5.5 parsed_1sh1 1
119 1 . . . . . . . 3.1 parsed_1sh1 1
120 1 . . . . . . . 4.5 parsed_1sh1 1
121 1 . . . . . . . 3.1 parsed_1sh1 1
122 1 . . . . . . . 3.1 parsed_1sh1 1
123 1 . . . . . . . 3.6 parsed_1sh1 1
124 1 . . . . . . . 4.5 parsed_1sh1 1
125 1 . . . . . . . 4.5 parsed_1sh1 1
126 1 . . . . . . . 4.5 parsed_1sh1 1
127 1 . . . . . . . 4.0 parsed_1sh1 1
128 1 . . . . . . . 5.5 parsed_1sh1 1
129 1 . . . . . . . 5.9 parsed_1sh1 1
130 1 . . . . . . . 6.4 parsed_1sh1 1
131 1 . . . . . . . 5.5 parsed_1sh1 1
132 1 . . . . . . . 3.6 parsed_1sh1 1
133 1 . . . . . . . 7.9 parsed_1sh1 1
134 1 . . . . . . . 7.9 parsed_1sh1 1
135 1 . . . . . . . 6.0 parsed_1sh1 1
136 1 . . . . . . . 6.0 parsed_1sh1 1
137 1 . . . . . . . 5.5 parsed_1sh1 1
138 1 . . . . . . . 7.9 parsed_1sh1 1
139 1 . . . . . . . 7.9 parsed_1sh1 1
140 1 . . . . . . . 3.0 parsed_1sh1 1
141 1 . . . . . . . 5.5 parsed_1sh1 1
142 1 . . . . . . . 5.5 parsed_1sh1 1
143 1 . . . . . . . 8.8 parsed_1sh1 1
144 1 . . . . . . . 8.8 parsed_1sh1 1
145 1 . . . . . . . 5.9 parsed_1sh1 1
146 1 . . . . . . . 5.9 parsed_1sh1 1
147 1 . . . . . . . 7.6 parsed_1sh1 1
148 1 . . . . . . . 6.8 parsed_1sh1 1
149 1 . . . . . . . 6.4 parsed_1sh1 1
150 1 . . . . . . . 6.4 parsed_1sh1 1
151 1 . . . . . . . 5.5 parsed_1sh1 1
152 1 . . . . . . . 4.5 parsed_1sh1 1
153 1 . . . . . . . 3.1 parsed_1sh1 1
154 1 . . . . . . . 5.5 parsed_1sh1 1
155 1 . . . . . . . 3.6 parsed_1sh1 1
156 1 . . . . . . . 6.4 parsed_1sh1 1
157 1 . . . . . . . 5.5 parsed_1sh1 1
158 1 . . . . . . . 5.5 parsed_1sh1 1
159 1 . . . . . . . 5.9 parsed_1sh1 1
160 1 . . . . . . . 5.9 parsed_1sh1 1
161 1 . . . . . . . 3.1 parsed_1sh1 1
162 1 . . . . . . . 3.1 parsed_1sh1 1
163 1 . . . . . . . 2.5 parsed_1sh1 1
164 1 . . . . . . . 6.4 parsed_1sh1 1
165 1 . . . . . . . 5.5 parsed_1sh1 1
166 1 . . . . . . . 6.4 parsed_1sh1 1
167 1 . . . . . . . 6.4 parsed_1sh1 1
168 1 . . . . . . . 3.0 parsed_1sh1 1
169 1 . . . . . . . 5.5 parsed_1sh1 1
170 1 . . . . . . . 5.5 parsed_1sh1 1
171 1 . . . . . . . 5.9 parsed_1sh1 1
172 1 . . . . . . . 5.9 parsed_1sh1 1
173 1 . . . . . . . 5.5 parsed_1sh1 1
174 1 . . . . . . . 3.1 parsed_1sh1 1
175 1 . . . . . . . 3.6 parsed_1sh1 1
176 1 . . . . . . . 6.8 parsed_1sh1 1
177 1 . . . . . . . 6.4 parsed_1sh1 1
178 1 . . . . . . . 7.4 parsed_1sh1 1
179 1 . . . . . . . 6.5 parsed_1sh1 1
180 1 . . . . . . . 3.1 parsed_1sh1 1
181 1 . . . . . . . 3.1 parsed_1sh1 1
182 1 . . . . . . . 3.7 parsed_1sh1 1
183 1 . . . . . . . 5.7 parsed_1sh1 1
184 1 . . . . . . . 7.6 parsed_1sh1 1
185 1 . . . . . . . 4.5 parsed_1sh1 1
186 1 . . . . . . . 3.1 parsed_1sh1 1
187 1 . . . . . . . 3.1 parsed_1sh1 1
188 1 . . . . . . . 8.6 parsed_1sh1 1
189 1 . . . . . . . 8.6 parsed_1sh1 1
190 1 . . . . . . . 6.7 parsed_1sh1 1
191 1 . . . . . . . 8.6 parsed_1sh1 1
192 1 . . . . . . . 7.6 parsed_1sh1 1
193 1 . . . . . . . 5.5 parsed_1sh1 1
194 1 . . . . . . . 5.5 parsed_1sh1 1
195 1 . . . . . . . 7.3 parsed_1sh1 1
196 1 . . . . . . . 8.0 parsed_1sh1 1
197 1 . . . . . . . 8.5 parsed_1sh1 1
198 1 . . . . . . . 3.1 parsed_1sh1 1
199 1 . . . . . . . 3.1 parsed_1sh1 1
200 1 . . . . . . . 5.5 parsed_1sh1 1
201 1 . . . . . . . 7.3 parsed_1sh1 1
202 1 . . . . . . . 5.5 parsed_1sh1 1
203 1 . . . . . . . 3.1 parsed_1sh1 1
204 1 . . . . . . . 4.5 parsed_1sh1 1
205 1 . . . . . . . 3.6 parsed_1sh1 1
206 1 . . . . . . . 3.6 parsed_1sh1 1
207 1 . . . . . . . 3.1 parsed_1sh1 1
208 1 . . . . . . . 4.5 parsed_1sh1 1
209 1 . . . . . . . 3.1 parsed_1sh1 1
210 1 . . . . . . . 4.5 parsed_1sh1 1
211 1 . . . . . . . 4.5 parsed_1sh1 1
212 1 . . . . . . . 3.7 parsed_1sh1 1
213 1 . . . . . . . 3.1 parsed_1sh1 1
214 1 . . . . . . . 4.5 parsed_1sh1 1
215 1 . . . . . . . 4.5 parsed_1sh1 1
216 1 . . . . . . . 3.1 parsed_1sh1 1
217 1 . . . . . . . 3.1 parsed_1sh1 1
218 1 . . . . . . . 3.1 parsed_1sh1 1
219 1 . . . . . . . 2.5 parsed_1sh1 1
220 1 . . . . . . . 5.5 parsed_1sh1 1
221 1 . . . . . . . 5.5 parsed_1sh1 1
222 1 . . . . . . . 4.5 parsed_1sh1 1
223 1 . . . . . . . 2.5 parsed_1sh1 1
224 1 . . . . . . . 4.5 parsed_1sh1 1
225 1 . . . . . . . 4.5 parsed_1sh1 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "89 S S SEQ" 2 40 2 80 parsed_1sh1 1
2 "38 W S SEQ" 4 40 4 80 parsed_1sh1 1
3 "53 M S SEQ" 5 40 5 80 parsed_1sh1 1
4 "463 W L LR" 6 40 6 80 parsed_1sh1 1
5 "465 W L LR" 7 40 7 80 parsed_1sh1 1
6 "329B S L LR" 8 40 8 80 parsed_1sh1 1
7 "427 W-1 L LR" 9 40 9 80 parsed_1sh1 1
8 "392 W-1 L LR" 10 40 10 80 parsed_1sh1 1
9 "254A M S SEQ" 12 40 12 80 parsed_1sh1 1
10 "416 W-2 L LR" 13 38 13 80 parsed_1sh1 1
11 "28 W L LR" 14 40 14 80 parsed_1sh1 1
12 "298 W-1 L LR" 15 40 15 80 parsed_1sh1 1
13 "377 M L LR" 16 40 16 80 parsed_1sh1 1
14 "226 M L LR" 17 40 17 80 parsed_1sh1 1
15 "260A M L LR" 18 40 18 80 parsed_1sh1 1
16 "163 M S SEQ" 20 40 20 80 parsed_1sh1 1
17 "336 M L LR" 21 38 21 80 parsed_1sh1 1
18 "290 W L LR" 22 40 22 80 parsed_1sh1 1
19 "388 M L LR" 23 40 23 80 parsed_1sh1 1
20 "170 W L LR" 24 38 24 80 parsed_1sh1 1
21 "307 W-2 L LR" 25 40 25 80 parsed_1sh1 1
22 "252A M S I" 27 40 27 80 parsed_1sh1 1
23 "133 M S SEQ" 28 40 28 80 parsed_1sh1 1
24 "189 W L LR" 29 40 29 80 parsed_1sh1 1
25 "362 W L LR" 30 40 30 80 parsed_1sh1 1
26 "361 W L LR" 31 40 31 80 parsed_1sh1 1
27 "314 W L LR" 32 40 32 80 parsed_1sh1 1
28 "122 W L LR" 33 40 33 80 parsed_1sh1 1
29 "286 W-2 L LR" 34 40 34 80 parsed_1sh1 1
30 "7 W L LR" 35 40 35 80 parsed_1sh1 1
31 "464 W L LR" 36 40 36 80 parsed_1sh1 1
32 "247A M S I" 38 40 38 80 parsed_1sh1 1
33 "4 M S SEQ" 39 40 39 80 parsed_1sh1 1
34 "249B W S SEQ" 40 40 40 80 parsed_1sh1 1
35 "249A W S SEQ" 41 40 41 80 parsed_1sh1 1
36 "354 W L LR" 42 40 42 80 parsed_1sh1 1
37 "224 M S I" 44 40 44 80 parsed_1sh1 1
38 "213 M S I" 45 40 45 80 parsed_1sh1 1
39 "30 M S SEQ" 46 40 46 80 parsed_1sh1 1
40 "527 M S I" 48 40 48 80 parsed_1sh1 1
41 "313 M L I" 49 40 49 80 parsed_1sh1 1
42 "13 M S SEQ" 50 40 50 80 parsed_1sh1 1
43 "119 M S SEQ" 51 40 51 80 parsed_1sh1 1
44 "358,359 W-1 L LR" 52 40 52 80 parsed_1sh1 1
45 "358,359 W-1 L LR" 53 40 53 80 parsed_1sh1 1
46 "358,359 W-1 L LR" 54 40 54 80 parsed_1sh1 1
47 "358,359 W-1 L LR" 55 40 55 80 parsed_1sh1 1
48 "492 W-1 L LR" 56 40 56 80 parsed_1sh1 1
49 "76 W S SEQ" 58 40 58 80 parsed_1sh1 1
50 "108 M S SEQ" 59 40 59 80 parsed_1sh1 1
51 "72,75 W S SEQ" 61 40 61 80 parsed_1sh1 1
52 "72,75 W S SEQ" 62 40 62 80 parsed_1sh1 1
53 "165 M S SEQ" 63 40 63 80 parsed_1sh1 1
54 "219,268 M S I" 65 40 65 80 parsed_1sh1 1
55 "268,219 M S I" 66 40 66 80 parsed_1sh1 1
56 "172 W S SEQ" 67 40 67 80 parsed_1sh1 1
57 "85 M S SEQ" 69 40 69 80 parsed_1sh1 1
58 "437 W L SEQ" 70 40 70 80 parsed_1sh1 1
59 "86 W L LR" 71 40 71 80 parsed_1sh1 1
60 "10 M S SEQ" 73 40 73 80 parsed_1sh1 1
61 "83 M S SEQ" 74 40 74 80 parsed_1sh1 1
62 "332,331 M S SEQ" 77 40 77 80 parsed_1sh1 1
63 "332,331 M S SEQ" 78 40 78 80 parsed_1sh1 1
64 "176,87 W S SEQ" 80 40 80 80 parsed_1sh1 1
65 "176,87 W S SEQ" 81 40 81 80 parsed_1sh1 1
66 "8 W S SEQ" 83 40 83 80 parsed_1sh1 1
67 "115 M S SEQ" 84 40 84 80 parsed_1sh1 1
68 "315 W S SEQ" 85 40 85 80 parsed_1sh1 1
69 "433 W S SEQ" 86 40 86 80 parsed_1sh1 1
70 "123 W L LR" 87 40 87 80 parsed_1sh1 1
71 "1 M S SEQ" 89 40 89 80 parsed_1sh1 1
72 "186,185 W L LR" 90 40 90 80 parsed_1sh1 1
73 "186,185 W L LR" 91 40 91 80 parsed_1sh1 1
74 "174 W S SEQ" 93 40 93 80 parsed_1sh1 1
75 "339 W L LR" 94 40 94 80 parsed_1sh1 1
76 "73 W S SEQ" 96 40 96 80 parsed_1sh1 1
77 "33 W L LR" 97 40 97 80 parsed_1sh1 1
78 "33 W L LR" 98 40 98 80 parsed_1sh1 1
79 "81 W L LR" 99 40 99 80 parsed_1sh1 1
80 "79 S L LR" 100 40 100 80 parsed_1sh1 1
81 "79 S L LR" 101 40 101 80 parsed_1sh1 1
82 "430 W L LR" 102 40 102 80 parsed_1sh1 1
83 "430 W L LR" 103 40 103 80 parsed_1sh1 1
84 "2 W L LR" 104 40 104 80 parsed_1sh1 1
85 "68 W L LR" 105 40 105 80 parsed_1sh1 1
86 "297 M L I" 107 40 107 80 parsed_1sh1 1
87 "532 M S I" 108 40 108 80 parsed_1sh1 1
88 "100 S S SEQ" 109 40 109 80 parsed_1sh1 1
89 "393 W L SEQ" 110 40 110 80 parsed_1sh1 1
90 "300 W L LR" 111 40 111 80 parsed_1sh1 1
91 "301 W-1 L LR" 112 40 112 80 parsed_1sh1 1
92 "303 M L LR" 113 40 113 80 parsed_1sh1 1
93 "304 W L LR" 114 40 114 80 parsed_1sh1 1
94 "475 M L LR" 115 40 115 80 parsed_1sh1 1
95 "476 W-1 L LR" 116 40 116 80 parsed_1sh1 1
96 "333 M L LR" 117 40 117 80 parsed_1sh1 1
97 "102 W L LR" 118 40 118 80 parsed_1sh1 1
98 "504 W-1 L LR" 120 40 120 80 parsed_1sh1 1
99 "43 W L LR" 121 40 121 80 parsed_1sh1 1
100 "95 S S SEQ" 123 40 123 80 parsed_1sh1 1
101 "330 M L LR" 124 40 124 80 parsed_1sh1 1
102 "495 M L LR" 125 40 125 80 parsed_1sh1 1
103 "42 W S SEQ" 127 40 127 80 parsed_1sh1 1
104 "138 M S SEQ" 129 40 129 80 parsed_1sh1 1
105 "97 M S SEQ" 130 40 130 80 parsed_1sh1 1
106 "348 W L LR" 131 40 131 80 parsed_1sh1 1
107 "228 W L LR" 133 38 133 80 parsed_1sh1 1
108 "329 W L LR" 134 40 134 80 parsed_1sh1 1
109 "520 M S I" 136 40 136 80 parsed_1sh1 1
110 "238 M S I" 137 40 137 80 parsed_1sh1 1
111 "162 S S SEQ" 138 40 138 80 parsed_1sh1 1
112 "237 M S SEQ" 139 40 139 80 parsed_1sh1 1
113 "77 W L LR" 140 40 140 80 parsed_1sh1 1
114 "521 M L LR" 141 40 141 80 parsed_1sh1 1
115 "250A,524 W L LR" 142 40 142 80 parsed_1sh1 1
116 "524,250A W L LR" 143 40 143 80 parsed_1sh1 1
117 "130 S S SEQ" 145 40 145 80 parsed_1sh1 1
118 "132 W L LR" 146 40 146 80 parsed_1sh1 1
119 "3 M S SEQ" 148 40 148 80 parsed_1sh1 1
120 "167 M L SEQ" 149 40 149 80 parsed_1sh1 1
121 "70,270 M S I" 151 40 151 80 parsed_1sh1 1
122 "270,70 M S I" 152 40 152 80 parsed_1sh1 1
123 "27 M L I" 153 40 153 80 parsed_1sh1 1
124 "78,272 W S I" 154 40 154 80 parsed_1sh1 1
125 "78,272 W S I" 155 40 155 80 parsed_1sh1 1
126 "271 M L I" 156 40 156 80 parsed_1sh1 1
127 "269 M S SEQ" 157 40 157 80 parsed_1sh1 1
128 "35 W L SEQ" 158 40 158 80 parsed_1sh1 1
129 "327 W-1 L LR" 159 40 159 80 parsed_1sh1 1
130 "81B W L LR" 160 40 160 80 parsed_1sh1 1
131 "34 W L LR" 161 40 161 80 parsed_1sh1 1
132 "51 M L LR" 162 40 162 80 parsed_1sh1 1
133 "32 W L LR" 163 40 163 80 parsed_1sh1 1
134 "32 W L LR" 164 40 164 80 parsed_1sh1 1
135 "50 M L LR" 165 40 165 80 parsed_1sh1 1
136 "50 M L LR" 166 40 166 80 parsed_1sh1 1
137 "11 W L LR" 167 40 167 80 parsed_1sh1 1
138 "12 W L LR" 168 40 168 80 parsed_1sh1 1
139 "12 W L LR" 169 40 169 80 parsed_1sh1 1
140 "206 S L LR" 170 40 170 80 parsed_1sh1 1
141 "208 W L LR" 171 40 171 80 parsed_1sh1 1
142 "209 W L LR" 172 40 172 80 parsed_1sh1 1
143 "305B W L LR" 173 40 173 80 parsed_1sh1 1
144 "305B W L LR" 174 40 174 80 parsed_1sh1 1
145 "308,306 W-1 L LR" 175 40 175 80 parsed_1sh1 1
146 "306,308 W-1 L LR" 176 40 176 80 parsed_1sh1 1
147 "501 W-3 L LR" 177 40 177 80 parsed_1sh1 1
148 "255A W-1 L LR" 178 40 178 80 parsed_1sh1 1
149 "256A W L LR" 179 40 179 80 parsed_1sh1 1
150 "511 W L LR" 180 40 180 80 parsed_1sh1 1
151 "63 W L LR" 181 40 181 80 parsed_1sh1 1
152 "319 M L I" 183 40 183 80 parsed_1sh1 1
153 "61 M S SEQ" 184 38 184 80 parsed_1sh1 1
154 "47 W L LR" 185 40 185 80 parsed_1sh1 1
155 "5 M L LR" 186 40 186 80 parsed_1sh1 1
156 "402 W L LR" 187 40 187 80 parsed_1sh1 1
157 "204 W L LR" 188 40 188 80 parsed_1sh1 1
158 "41 W L LR" 189 40 189 80 parsed_1sh1 1
159 "503,503B W-1 L LR" 190 40 190 80 parsed_1sh1 1
160 "503B,503 W-1 L LR" 191 40 191 80 parsed_1sh1 1
161 "516,533 M S I" 193 40 193 80 parsed_1sh1 1
162 "533,516 M S I" 194 40 194 80 parsed_1sh1 1
163 "110 S S SEQ" 195 40 195 80 parsed_1sh1 1
164 "517 W L LR" 196 40 196 80 parsed_1sh1 1
165 "113 W L LR" 197 40 197 80 parsed_1sh1 1
166 "203 W L LR" 198 40 198 80 parsed_1sh1 1
167 "217 W L LR" 199 40 199 80 parsed_1sh1 1
168 "114 S L LR" 200 40 200 80 parsed_1sh1 1
169 "456,455 W L LR" 201 40 201 80 parsed_1sh1 1
170 "455,456 W L LR" 202 40 202 80 parsed_1sh1 1
171 "457,458 W-1 L LR" 203 40 203 80 parsed_1sh1 1
172 "458,457 W-1 L LR" 204 40 204 80 parsed_1sh1 1
173 "111 W L LR" 205 40 205 80 parsed_1sh1 1
174 "31 M S SEQ" 207 40 207 80 parsed_1sh1 1
175 "44 M L LR" 208 40 208 80 parsed_1sh1 1
176 "328 W-1 L LR" 209 38 209 80 parsed_1sh1 1
177 "197 W L LR" 210 40 210 80 parsed_1sh1 1
178 "462 W L LR" 212 40 212 80 parsed_1sh1 1
179 "469 W L LR" 213 40 213 80 parsed_1sh1 1
180 "40 M S SEQ" 215 40 215 80 parsed_1sh1 1
181 "96 M S SEQ" 216 40 216 80 parsed_1sh1 1
182 "246 M S I" 218 40 218 80 parsed_1sh1 1
183 "324 M L LR" 219 38 219 80 parsed_1sh1 1
184 "121 W L LR" 220 40 220 80 parsed_1sh1 1
185 "29 W S SEQ" 222 40 222 80 parsed_1sh1 1
186 "194,276 M S SEQ" 223 40 223 80 parsed_1sh1 1
187 "194,276 M S SEQ" 224 40 224 80 parsed_1sh1 1
188 "302 W L SEQ" 225 40 225 80 parsed_1sh1 1
189 "305 W L SEQ" 226 40 226 80 parsed_1sh1 1
190 "513 M L LR" 227 40 227 80 parsed_1sh1 1
191 "514 W L LR" 228 40 228 80 parsed_1sh1 1
192 "59 W L LR" 229 40 229 80 parsed_1sh1 1
193 "198,275 W L LR" 230 40 230 80 parsed_1sh1 1
194 "275,198 W L LR" 231 40 231 80 parsed_1sh1 1
195 "373 W L LR" 232 38 232 80 parsed_1sh1 1
196 "36 W-1 L LR" 233 40 233 80 parsed_1sh1 1
197 "318 W L LR" 234 40 234 80 parsed_1sh1 1
198 "152 M S SEQ" 236 40 236 80 parsed_1sh1 1
199 "151 M S SEQ" 237 40 237 80 parsed_1sh1 1
200 "171 W L LR" 238 40 238 80 parsed_1sh1 1
201 "508 W-2 L LR" 239 40 239 80 parsed_1sh1 1
202 "58 W L LR" 240 38 240 80 parsed_1sh1 1
203 "528 M S I" 242 40 242 80 parsed_1sh1 1
204 "9 W S SEQ" 243 40 243 80 parsed_1sh1 1
205 "512,440 M L I" 245 40 245 80 parsed_1sh1 1
206 "440,512 M L I" 246 40 246 80 parsed_1sh1 1
207 "14 M S SEQ" 247 40 247 80 parsed_1sh1 1
208 "399 W S SEQ" 248 40 248 80 parsed_1sh1 1
209 "56 M S SEQ" 251 40 251 80 parsed_1sh1 1
210 "221,526 W S SEQ" 252 40 252 80 parsed_1sh1 1
211 "221,526 W S SEQ" 253 40 253 80 parsed_1sh1 1
212 "274 M S I" 256 40 256 80 parsed_1sh1 1
213 "45 M S SEQ" 257 40 257 80 parsed_1sh1 1
214 "B255,273 W S SEQ" 258 40 258 80 parsed_1sh1 1
215 "B255,273 W S SEQ" 259 40 259 80 parsed_1sh1 1
216 "49 M S SEQ" 261 40 261 80 parsed_1sh1 1
217 "450,293 M S I" 263 40 263 80 parsed_1sh1 1
218 "293,450 M S I" 264 40 264 80 parsed_1sh1 1
219 "205 S S SEQ" 265 40 265 80 parsed_1sh1 1
220 "292,294 W L SEQ" 266 40 266 80 parsed_1sh1 1
221 "292,294 W L SEQ" 267 40 267 80 parsed_1sh1 1
222 "173 W S SEQ" 269 40 269 80 parsed_1sh1 1
223 "105 S S SEQ" 270 40 270 80 parsed_1sh1 1
224 "454,506 W S SEQ" 271 40 271 80 parsed_1sh1 1
225 "454,506 W S SEQ" 272 40 272 80 parsed_1sh1 1
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1sh1
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*REMARK
*REMARK THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR
*REMARK NAMES IN THE ENTRY AND THE ORIGINAL DATA:
;
save_
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