data_52940
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52940
_Entry.Title
;
Backbone chemical shift assignments of ParA
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2025-02-26
_Entry.Accession_date 2025-02-26
_Entry.Last_release_date 2025-02-26
_Entry.Original_release_date 2025-02-26
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details 'Partial backbone chemical shift assignments of ParA protein complex (dimer) from Myxococcus xanthus'
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Janosch Hennig . . . 0000-0001-5214-7002 52940
2 Cecilia Perez-Borrajero . . . . 52940
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52940
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 167 52940
'15N chemical shifts' 79 52940
'1H chemical shifts' 79 52940
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2025-03-13 . original BMRB . 52940
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52940
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID .
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Molecular and structural insights into ParA ATPase activation by the CTPase ParB during bacterial chromosome segregation
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Lucas Schnabel . . . . 52940 1
2 Manuel Osorio-Valeriano . . . . 52940 1
3 Cecilia Perez-Borrajero . . . . 52940 1
4 Wieland Steinchen . . . . 52940 1
5 Christopher-Nils Mais . . . . 52940 1
6 Bernd Simon . . . . 52940 1
7 Maria Thamm . . . . 52940 1
8 Janosch Hennig . . . . 52940 1
9 Gert Bange . . . . 52940 1
10 Martin Thanbichler . . . . 52940 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52940
_Assembly.ID 1
_Assembly.Name ParA
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details Dimeric
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'ParA, chain 1' 1 $entity_1 . . yes native no no . . . 52940 1
2 'ParA, chain 2' 1 $entity_1 . . no native no no . . . 52940 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52940
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
AHHHHHHVGTGVGRIICISN
QKGGVGKTTTAINLAASLAS
AERRTLLVDMDPQGNAGSGL
GIKQDNITGTIYEALLNDRP
IQELLHPTELRYLQVVPATP
DLTGAEVELVNQDNREFRLR
DALRPLAAEYDYIIIDCPPS
LGLLTLNALAAADSVLIPLQ
CEYYALEGLSQLTHTIDLVK
QGLNPDLKMEGILLTMFDSR
ANIAHQVVEEVRGYFKKQVF
EVIVPRNVRLSECPSFGKPI
ILYDIKSKGCESYLALGREL
MKRDT
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq 1
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 265
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 yes ParA Q1CVJ3 . . . . . . . . . . . . . . . . 52940 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ALA . 52940 1
2 . HIS . 52940 1
3 . HIS . 52940 1
4 . HIS . 52940 1
5 . HIS . 52940 1
6 . HIS . 52940 1
7 . HIS . 52940 1
8 . VAL . 52940 1
9 . GLY . 52940 1
10 . THR . 52940 1
11 . GLY . 52940 1
12 . VAL . 52940 1
13 . GLY . 52940 1
14 . ARG . 52940 1
15 . ILE . 52940 1
16 . ILE . 52940 1
17 . CYS . 52940 1
18 . ILE . 52940 1
19 . SER . 52940 1
20 . ASN . 52940 1
21 . GLN . 52940 1
22 . LYS . 52940 1
23 . GLY . 52940 1
24 . GLY . 52940 1
25 . VAL . 52940 1
26 . GLY . 52940 1
27 . LYS . 52940 1
28 . THR . 52940 1
29 . THR . 52940 1
30 . THR . 52940 1
31 . ALA . 52940 1
32 . ILE . 52940 1
33 . ASN . 52940 1
34 . LEU . 52940 1
35 . ALA . 52940 1
36 . ALA . 52940 1
37 . SER . 52940 1
38 . LEU . 52940 1
39 . ALA . 52940 1
40 . SER . 52940 1
41 . ALA . 52940 1
42 . GLU . 52940 1
43 . ARG . 52940 1
44 . ARG . 52940 1
45 . THR . 52940 1
46 . LEU . 52940 1
47 . LEU . 52940 1
48 . VAL . 52940 1
49 . ASP . 52940 1
50 . MET . 52940 1
51 . ASP . 52940 1
52 . PRO . 52940 1
53 . GLN . 52940 1
54 . GLY . 52940 1
55 . ASN . 52940 1
56 . ALA . 52940 1
57 . GLY . 52940 1
58 . SER . 52940 1
59 . GLY . 52940 1
60 . LEU . 52940 1
61 . GLY . 52940 1
62 . ILE . 52940 1
63 . LYS . 52940 1
64 . GLN . 52940 1
65 . ASP . 52940 1
66 . ASN . 52940 1
67 . ILE . 52940 1
68 . THR . 52940 1
69 . GLY . 52940 1
70 . THR . 52940 1
71 . ILE . 52940 1
72 . TYR . 52940 1
73 . GLU . 52940 1
74 . ALA . 52940 1
75 . LEU . 52940 1
76 . LEU . 52940 1
77 . ASN . 52940 1
78 . ASP . 52940 1
79 . ARG . 52940 1
80 . PRO . 52940 1
81 . ILE . 52940 1
82 . GLN . 52940 1
83 . GLU . 52940 1
84 . LEU . 52940 1
85 . LEU . 52940 1
86 . HIS . 52940 1
87 . PRO . 52940 1
88 . THR . 52940 1
89 . GLU . 52940 1
90 . LEU . 52940 1
91 . ARG . 52940 1
92 . TYR . 52940 1
93 . LEU . 52940 1
94 . GLN . 52940 1
95 . VAL . 52940 1
96 . VAL . 52940 1
97 . PRO . 52940 1
98 . ALA . 52940 1
99 . THR . 52940 1
100 . PRO . 52940 1
101 . ASP . 52940 1
102 . LEU . 52940 1
103 . THR . 52940 1
104 . GLY . 52940 1
105 . ALA . 52940 1
106 . GLU . 52940 1
107 . VAL . 52940 1
108 . GLU . 52940 1
109 . LEU . 52940 1
110 . VAL . 52940 1
111 . ASN . 52940 1
112 . GLN . 52940 1
113 . ASP . 52940 1
114 . ASN . 52940 1
115 . ARG . 52940 1
116 . GLU . 52940 1
117 . PHE . 52940 1
118 . ARG . 52940 1
119 . LEU . 52940 1
120 . ARG . 52940 1
121 . ASP . 52940 1
122 . ALA . 52940 1
123 . LEU . 52940 1
124 . ARG . 52940 1
125 . PRO . 52940 1
126 . LEU . 52940 1
127 . ALA . 52940 1
128 . ALA . 52940 1
129 . GLU . 52940 1
130 . TYR . 52940 1
131 . ASP . 52940 1
132 . TYR . 52940 1
133 . ILE . 52940 1
134 . ILE . 52940 1
135 . ILE . 52940 1
136 . ASP . 52940 1
137 . CYS . 52940 1
138 . PRO . 52940 1
139 . PRO . 52940 1
140 . SER . 52940 1
141 . LEU . 52940 1
142 . GLY . 52940 1
143 . LEU . 52940 1
144 . LEU . 52940 1
145 . THR . 52940 1
146 . LEU . 52940 1
147 . ASN . 52940 1
148 . ALA . 52940 1
149 . LEU . 52940 1
150 . ALA . 52940 1
151 . ALA . 52940 1
152 . ALA . 52940 1
153 . ASP . 52940 1
154 . SER . 52940 1
155 . VAL . 52940 1
156 . LEU . 52940 1
157 . ILE . 52940 1
158 . PRO . 52940 1
159 . LEU . 52940 1
160 . GLN . 52940 1
161 . CYS . 52940 1
162 . GLU . 52940 1
163 . TYR . 52940 1
164 . TYR . 52940 1
165 . ALA . 52940 1
166 . LEU . 52940 1
167 . GLU . 52940 1
168 . GLY . 52940 1
169 . LEU . 52940 1
170 . SER . 52940 1
171 . GLN . 52940 1
172 . LEU . 52940 1
173 . THR . 52940 1
174 . HIS . 52940 1
175 . THR . 52940 1
176 . ILE . 52940 1
177 . ASP . 52940 1
178 . LEU . 52940 1
179 . VAL . 52940 1
180 . LYS . 52940 1
181 . GLN . 52940 1
182 . GLY . 52940 1
183 . LEU . 52940 1
184 . ASN . 52940 1
185 . PRO . 52940 1
186 . ASP . 52940 1
187 . LEU . 52940 1
188 . LYS . 52940 1
189 . MET . 52940 1
190 . GLU . 52940 1
191 . GLY . 52940 1
192 . ILE . 52940 1
193 . LEU . 52940 1
194 . LEU . 52940 1
195 . THR . 52940 1
196 . MET . 52940 1
197 . PHE . 52940 1
198 . ASP . 52940 1
199 . SER . 52940 1
200 . ARG . 52940 1
201 . ALA . 52940 1
202 . ASN . 52940 1
203 . ILE . 52940 1
204 . ALA . 52940 1
205 . HIS . 52940 1
206 . GLN . 52940 1
207 . VAL . 52940 1
208 . VAL . 52940 1
209 . GLU . 52940 1
210 . GLU . 52940 1
211 . VAL . 52940 1
212 . ARG . 52940 1
213 . GLY . 52940 1
214 . TYR . 52940 1
215 . PHE . 52940 1
216 . LYS . 52940 1
217 . LYS . 52940 1
218 . GLN . 52940 1
219 . VAL . 52940 1
220 . PHE . 52940 1
221 . GLU . 52940 1
222 . VAL . 52940 1
223 . ILE . 52940 1
224 . VAL . 52940 1
225 . PRO . 52940 1
226 . ARG . 52940 1
227 . ASN . 52940 1
228 . VAL . 52940 1
229 . ARG . 52940 1
230 . LEU . 52940 1
231 . SER . 52940 1
232 . GLU . 52940 1
233 . CYS . 52940 1
234 . PRO . 52940 1
235 . SER . 52940 1
236 . PHE . 52940 1
237 . GLY . 52940 1
238 . LYS . 52940 1
239 . PRO . 52940 1
240 . ILE . 52940 1
241 . ILE . 52940 1
242 . LEU . 52940 1
243 . TYR . 52940 1
244 . ASP . 52940 1
245 . ILE . 52940 1
246 . LYS . 52940 1
247 . SER . 52940 1
248 . LYS . 52940 1
249 . GLY . 52940 1
250 . CYS . 52940 1
251 . GLU . 52940 1
252 . SER . 52940 1
253 . TYR . 52940 1
254 . LEU . 52940 1
255 . ALA . 52940 1
256 . LEU . 52940 1
257 . GLY . 52940 1
258 . ARG . 52940 1
259 . GLU . 52940 1
260 . LEU . 52940 1
261 . MET . 52940 1
262 . LYS . 52940 1
263 . ARG . 52940 1
264 . ASP . 52940 1
265 . THR . 52940 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ALA 1 1 52940 1
. HIS 2 2 52940 1
. HIS 3 3 52940 1
. HIS 4 4 52940 1
. HIS 5 5 52940 1
. HIS 6 6 52940 1
. HIS 7 7 52940 1
. VAL 8 8 52940 1
. GLY 9 9 52940 1
. THR 10 10 52940 1
. GLY 11 11 52940 1
. VAL 12 12 52940 1
. GLY 13 13 52940 1
. ARG 14 14 52940 1
. ILE 15 15 52940 1
. ILE 16 16 52940 1
. CYS 17 17 52940 1
. ILE 18 18 52940 1
. SER 19 19 52940 1
. ASN 20 20 52940 1
. GLN 21 21 52940 1
. LYS 22 22 52940 1
. GLY 23 23 52940 1
. GLY 24 24 52940 1
. VAL 25 25 52940 1
. GLY 26 26 52940 1
. LYS 27 27 52940 1
. THR 28 28 52940 1
. THR 29 29 52940 1
. THR 30 30 52940 1
. ALA 31 31 52940 1
. ILE 32 32 52940 1
. ASN 33 33 52940 1
. LEU 34 34 52940 1
. ALA 35 35 52940 1
. ALA 36 36 52940 1
. SER 37 37 52940 1
. LEU 38 38 52940 1
. ALA 39 39 52940 1
. SER 40 40 52940 1
. ALA 41 41 52940 1
. GLU 42 42 52940 1
. ARG 43 43 52940 1
. ARG 44 44 52940 1
. THR 45 45 52940 1
. LEU 46 46 52940 1
. LEU 47 47 52940 1
. VAL 48 48 52940 1
. ASP 49 49 52940 1
. MET 50 50 52940 1
. ASP 51 51 52940 1
. PRO 52 52 52940 1
. GLN 53 53 52940 1
. GLY 54 54 52940 1
. ASN 55 55 52940 1
. ALA 56 56 52940 1
. GLY 57 57 52940 1
. SER 58 58 52940 1
. GLY 59 59 52940 1
. LEU 60 60 52940 1
. GLY 61 61 52940 1
. ILE 62 62 52940 1
. LYS 63 63 52940 1
. GLN 64 64 52940 1
. ASP 65 65 52940 1
. ASN 66 66 52940 1
. ILE 67 67 52940 1
. THR 68 68 52940 1
. GLY 69 69 52940 1
. THR 70 70 52940 1
. ILE 71 71 52940 1
. TYR 72 72 52940 1
. GLU 73 73 52940 1
. ALA 74 74 52940 1
. LEU 75 75 52940 1
. LEU 76 76 52940 1
. ASN 77 77 52940 1
. ASP 78 78 52940 1
. ARG 79 79 52940 1
. PRO 80 80 52940 1
. ILE 81 81 52940 1
. GLN 82 82 52940 1
. GLU 83 83 52940 1
. LEU 84 84 52940 1
. LEU 85 85 52940 1
. HIS 86 86 52940 1
. PRO 87 87 52940 1
. THR 88 88 52940 1
. GLU 89 89 52940 1
. LEU 90 90 52940 1
. ARG 91 91 52940 1
. TYR 92 92 52940 1
. LEU 93 93 52940 1
. GLN 94 94 52940 1
. VAL 95 95 52940 1
. VAL 96 96 52940 1
. PRO 97 97 52940 1
. ALA 98 98 52940 1
. THR 99 99 52940 1
. PRO 100 100 52940 1
. ASP 101 101 52940 1
. LEU 102 102 52940 1
. THR 103 103 52940 1
. GLY 104 104 52940 1
. ALA 105 105 52940 1
. GLU 106 106 52940 1
. VAL 107 107 52940 1
. GLU 108 108 52940 1
. LEU 109 109 52940 1
. VAL 110 110 52940 1
. ASN 111 111 52940 1
. GLN 112 112 52940 1
. ASP 113 113 52940 1
. ASN 114 114 52940 1
. ARG 115 115 52940 1
. GLU 116 116 52940 1
. PHE 117 117 52940 1
. ARG 118 118 52940 1
. LEU 119 119 52940 1
. ARG 120 120 52940 1
. ASP 121 121 52940 1
. ALA 122 122 52940 1
. LEU 123 123 52940 1
. ARG 124 124 52940 1
. PRO 125 125 52940 1
. LEU 126 126 52940 1
. ALA 127 127 52940 1
. ALA 128 128 52940 1
. GLU 129 129 52940 1
. TYR 130 130 52940 1
. ASP 131 131 52940 1
. TYR 132 132 52940 1
. ILE 133 133 52940 1
. ILE 134 134 52940 1
. ILE 135 135 52940 1
. ASP 136 136 52940 1
. CYS 137 137 52940 1
. PRO 138 138 52940 1
. PRO 139 139 52940 1
. SER 140 140 52940 1
. LEU 141 141 52940 1
. GLY 142 142 52940 1
. LEU 143 143 52940 1
. LEU 144 144 52940 1
. THR 145 145 52940 1
. LEU 146 146 52940 1
. ASN 147 147 52940 1
. ALA 148 148 52940 1
. LEU 149 149 52940 1
. ALA 150 150 52940 1
. ALA 151 151 52940 1
. ALA 152 152 52940 1
. ASP 153 153 52940 1
. SER 154 154 52940 1
. VAL 155 155 52940 1
. LEU 156 156 52940 1
. ILE 157 157 52940 1
. PRO 158 158 52940 1
. LEU 159 159 52940 1
. GLN 160 160 52940 1
. CYS 161 161 52940 1
. GLU 162 162 52940 1
. TYR 163 163 52940 1
. TYR 164 164 52940 1
. ALA 165 165 52940 1
. LEU 166 166 52940 1
. GLU 167 167 52940 1
. GLY 168 168 52940 1
. LEU 169 169 52940 1
. SER 170 170 52940 1
. GLN 171 171 52940 1
. LEU 172 172 52940 1
. THR 173 173 52940 1
. HIS 174 174 52940 1
. THR 175 175 52940 1
. ILE 176 176 52940 1
. ASP 177 177 52940 1
. LEU 178 178 52940 1
. VAL 179 179 52940 1
. LYS 180 180 52940 1
. GLN 181 181 52940 1
. GLY 182 182 52940 1
. LEU 183 183 52940 1
. ASN 184 184 52940 1
. PRO 185 185 52940 1
. ASP 186 186 52940 1
. LEU 187 187 52940 1
. LYS 188 188 52940 1
. MET 189 189 52940 1
. GLU 190 190 52940 1
. GLY 191 191 52940 1
. ILE 192 192 52940 1
. LEU 193 193 52940 1
. LEU 194 194 52940 1
. THR 195 195 52940 1
. MET 196 196 52940 1
. PHE 197 197 52940 1
. ASP 198 198 52940 1
. SER 199 199 52940 1
. ARG 200 200 52940 1
. ALA 201 201 52940 1
. ASN 202 202 52940 1
. ILE 203 203 52940 1
. ALA 204 204 52940 1
. HIS 205 205 52940 1
. GLN 206 206 52940 1
. VAL 207 207 52940 1
. VAL 208 208 52940 1
. GLU 209 209 52940 1
. GLU 210 210 52940 1
. VAL 211 211 52940 1
. ARG 212 212 52940 1
. GLY 213 213 52940 1
. TYR 214 214 52940 1
. PHE 215 215 52940 1
. LYS 216 216 52940 1
. LYS 217 217 52940 1
. GLN 218 218 52940 1
. VAL 219 219 52940 1
. PHE 220 220 52940 1
. GLU 221 221 52940 1
. VAL 222 222 52940 1
. ILE 223 223 52940 1
. VAL 224 224 52940 1
. PRO 225 225 52940 1
. ARG 226 226 52940 1
. ASN 227 227 52940 1
. VAL 228 228 52940 1
. ARG 229 229 52940 1
. LEU 230 230 52940 1
. SER 231 231 52940 1
. GLU 232 232 52940 1
. CYS 233 233 52940 1
. PRO 234 234 52940 1
. SER 235 235 52940 1
. PHE 236 236 52940 1
. GLY 237 237 52940 1
. LYS 238 238 52940 1
. PRO 239 239 52940 1
. ILE 240 240 52940 1
. ILE 241 241 52940 1
. LEU 242 242 52940 1
. TYR 243 243 52940 1
. ASP 244 244 52940 1
. ILE 245 245 52940 1
. LYS 246 246 52940 1
. SER 247 247 52940 1
. LYS 248 248 52940 1
. GLY 249 249 52940 1
. CYS 250 250 52940 1
. GLU 251 251 52940 1
. SER 252 252 52940 1
. TYR 253 253 52940 1
. LEU 254 254 52940 1
. ALA 255 255 52940 1
. LEU 256 256 52940 1
. GLY 257 257 52940 1
. ARG 258 258 52940 1
. GLU 259 259 52940 1
. LEU 260 260 52940 1
. MET 261 261 52940 1
. LYS 262 262 52940 1
. ARG 263 263 52940 1
. ASP 264 264 52940 1
. THR 265 265 52940 1
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 52940
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 34 organism . 'Myxococcus xanthus' 'Myxococcus xanthus' . . Bacteria . Myxococcus xanthus . . . . . . . . . . . . . 52940 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 52940
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pMO105 . . . 52940 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52940
_Sample.ID 1
_Sample.Name ParA
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 ParA '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 300 . . uM . . . . 52940 1
2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52940 1
3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 52940 1
4 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52940 1
5 'Magnesium sulfate' 'natural abundance' . . . . . . 5 . . mM . . . . 52940 1
6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52940 1
7 ATP 'natural abundance' . . . . . . 1 . . mM . . . . 52940 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 52940
_Sample_condition_list.ID 1
_Sample_condition_list.Name ParA
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 150 . mM 52940 1
pH 6.8 . pH 52940 1
pressure 1 . atm 52940 1
temperature 298 . K 52940 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52940
_Software.ID 1
_Software.Type .
_Software.Name CARA
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52940 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52940
_Software.ID 2
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52940 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52940
_Software.ID 3
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52940 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 52940
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 800
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52940
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N TROSY' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52940 1
2 '3D HNCA' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52940 1
3 '3D HNCACB' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52940 1
4 '3D HNCO' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52940 1
5 '3D HN(CO)CACB' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52940 1
6 '3D HN(CO)CA' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52940 1
7 '3D HN(CA)CO' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52940 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 52940
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name ParA
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 water protons . . . . ppm 4.773 internal indirect . . . . . . 52940 1
H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 52940 1
N 15 water protons . . . . ppm 4.773 internal indirect . . . . . . 52940 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52940
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ParA
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N TROSY' . . . 52940 1
2 '3D HNCA' . . . 52940 1
3 '3D HNCACB' . . . 52940 1
4 '3D HNCO' . . . 52940 1
5 '3D HN(CO)CACB' . . . 52940 1
6 '3D HN(CO)CA' . . . 52940 1
7 '3D HN(CA)CO' . . . 52940 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52940 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 8 8 VAL H H 1 8.134 0.020 . 1 . . . . . 8 VAL H . 52940 1
2 . 1 . 1 8 8 VAL C C 13 176.422 0.3 . 1 . . . . . 8 VAL C . 52940 1
3 . 1 . 1 8 8 VAL CA C 13 61.891 0.3 . 1 . . . . . 8 VAL CA . 52940 1
4 . 1 . 1 8 8 VAL CB C 13 31.651 0.3 . 1 . . . . . 8 VAL CB . 52940 1
5 . 1 . 1 8 8 VAL N N 15 122.495 0.3 . 1 . . . . . 8 VAL N . 52940 1
6 . 1 . 1 9 9 GLY H H 1 8.449 0.020 . 1 . . . . . 9 GLY H . 52940 1
7 . 1 . 1 9 9 GLY C C 13 174.314 0.3 . 1 . . . . . 9 GLY C . 52940 1
8 . 1 . 1 9 9 GLY CA C 13 44.722 0.3 . 1 . . . . . 9 GLY CA . 52940 1
9 . 1 . 1 9 9 GLY N N 15 113.017 0.3 . 1 . . . . . 9 GLY N . 52940 1
10 . 1 . 1 10 10 THR H H 1 8.120 0.020 . 1 . . . . . 10 THR H . 52940 1
11 . 1 . 1 10 10 THR C C 13 175.276 0.3 . 1 . . . . . 10 THR C . 52940 1
12 . 1 . 1 10 10 THR CA C 13 61.361 0.3 . 1 . . . . . 10 THR CA . 52940 1
13 . 1 . 1 10 10 THR CB C 13 69.093 0.3 . 1 . . . . . 10 THR CB . 52940 1
14 . 1 . 1 10 10 THR N N 15 113.245 0.3 . 1 . . . . . 10 THR N . 52940 1
15 . 1 . 1 11 11 GLY H H 1 8.379 0.020 . 1 . . . . . 11 GLY H . 52940 1
16 . 1 . 1 11 11 GLY C C 13 173.306 0.3 . 1 . . . . . 11 GLY C . 52940 1
17 . 1 . 1 11 11 GLY CA C 13 44.770 0.3 . 1 . . . . . 11 GLY CA . 52940 1
18 . 1 . 1 11 11 GLY N N 15 111.660 0.3 . 1 . . . . . 11 GLY N . 52940 1
19 . 1 . 1 12 12 VAL H H 1 7.713 0.020 . 1 . . . . . 12 VAL H . 52940 1
20 . 1 . 1 12 12 VAL C C 13 176.051 0.3 . 1 . . . . . 12 VAL C . 52940 1
21 . 1 . 1 12 12 VAL CA C 13 60.257 0.3 . 1 . . . . . 12 VAL CA . 52940 1
22 . 1 . 1 12 12 VAL CB C 13 33.092 0.3 . 1 . . . . . 12 VAL CB . 52940 1
23 . 1 . 1 12 12 VAL N N 15 117.263 0.3 . 1 . . . . . 12 VAL N . 52940 1
24 . 1 . 1 13 13 GLY H H 1 8.444 0.020 . 1 . . . . . 13 GLY H . 52940 1
25 . 1 . 1 13 13 GLY CA C 13 44.337 0.3 . 1 . . . . . 13 GLY CA . 52940 1
26 . 1 . 1 13 13 GLY N N 15 112.604 0.3 . 1 . . . . . 13 GLY N . 52940 1
27 . 1 . 1 14 14 ARG H H 1 7.157 0.020 . 1 . . . . . 14 ARG H . 52940 1
28 . 1 . 1 14 14 ARG C C 13 174.799 0.3 . 1 . . . . . 14 ARG C . 52940 1
29 . 1 . 1 14 14 ARG CA C 13 54.553 0.3 . 1 . . . . . 14 ARG CA . 52940 1
30 . 1 . 1 14 14 ARG CB C 13 32.187 0.3 . 1 . . . . . 14 ARG CB . 52940 1
31 . 1 . 1 14 14 ARG N N 15 117.885 0.3 . 1 . . . . . 14 ARG N . 52940 1
32 . 1 . 1 15 15 ILE H H 1 9.679 0.020 . 1 . . . . . 15 ILE H . 52940 1
33 . 1 . 1 15 15 ILE CA C 13 60.081 0.3 . 1 . . . . . 15 ILE CA . 52940 1
34 . 1 . 1 15 15 ILE CB C 13 37.115 0.3 . 1 . . . . . 15 ILE CB . 52940 1
35 . 1 . 1 15 15 ILE N N 15 124.648 0.3 . 1 . . . . . 15 ILE N . 52940 1
36 . 1 . 1 20 20 ASN H H 1 8.842 0.020 . 1 . . . . . 20 ASN H . 52940 1
37 . 1 . 1 20 20 ASN CA C 13 52.995 0.3 . 1 . . . . . 20 ASN CA . 52940 1
38 . 1 . 1 20 20 ASN N N 15 127.835 0.3 . 1 . . . . . 20 ASN N . 52940 1
39 . 1 . 1 21 21 GLN H H 1 6.970 0.020 . 1 . . . . . 21 GLN H . 52940 1
40 . 1 . 1 21 21 GLN C C 13 171.846 0.3 . 1 . . . . . 21 GLN C . 52940 1
41 . 1 . 1 21 21 GLN CA C 13 57.619 0.3 . 1 . . . . . 21 GLN CA . 52940 1
42 . 1 . 1 21 21 GLN CB C 13 28.758 0.3 . 1 . . . . . 21 GLN CB . 52940 1
43 . 1 . 1 21 21 GLN N N 15 120.167 0.3 . 1 . . . . . 21 GLN N . 52940 1
44 . 1 . 1 22 22 LYS H H 1 8.458 0.020 . 1 . . . . . 22 LYS H . 52940 1
45 . 1 . 1 22 22 LYS CA C 13 57.711 0.3 . 1 . . . . . 22 LYS CA . 52940 1
46 . 1 . 1 22 22 LYS N N 15 115.672 0.3 . 1 . . . . . 22 LYS N . 52940 1
47 . 1 . 1 54 54 GLY H H 1 7.681 0.020 . 1 . . . . . 54 GLY H . 52940 1
48 . 1 . 1 54 54 GLY CA C 13 46.090 0.3 . 1 . . . . . 54 GLY CA . 52940 1
49 . 1 . 1 54 54 GLY N N 15 109.773 0.3 . 1 . . . . . 54 GLY N . 52940 1
50 . 1 . 1 55 55 ASN H H 1 6.732 0.020 . 1 . . . . . 55 ASN H . 52940 1
51 . 1 . 1 55 55 ASN C C 13 174.779 0.3 . 1 . . . . . 55 ASN C . 52940 1
52 . 1 . 1 55 55 ASN CA C 13 50.724 0.3 . 1 . . . . . 55 ASN CA . 52940 1
53 . 1 . 1 55 55 ASN CB C 13 35.088 0.3 . 1 . . . . . 55 ASN CB . 52940 1
54 . 1 . 1 55 55 ASN N N 15 115.075 0.3 . 1 . . . . . 55 ASN N . 52940 1
55 . 1 . 1 59 59 GLY H H 1 8.696 0.020 . 1 . . . . . 59 GLY H . 52940 1
56 . 1 . 1 59 59 GLY CA C 13 45.874 0.3 . 1 . . . . . 59 GLY CA . 52940 1
57 . 1 . 1 59 59 GLY N N 15 110.253 0.3 . 1 . . . . . 59 GLY N . 52940 1
58 . 1 . 1 60 60 LEU H H 1 7.173 0.020 . 1 . . . . . 60 LEU H . 52940 1
59 . 1 . 1 60 60 LEU CA C 13 53.095 0.3 . 1 . . . . . 60 LEU CA . 52940 1
60 . 1 . 1 60 60 LEU N N 15 118.570 0.3 . 1 . . . . . 60 LEU N . 52940 1
61 . 1 . 1 61 61 GLY H H 1 7.904 0.020 . 1 . . . . . 61 GLY H . 52940 1
62 . 1 . 1 61 61 GLY CA C 13 45.442 0.3 . 1 . . . . . 61 GLY CA . 52940 1
63 . 1 . 1 61 61 GLY N N 15 106.807 0.3 . 1 . . . . . 61 GLY N . 52940 1
64 . 1 . 1 62 62 ILE H H 1 8.202 0.020 . 1 . . . . . 62 ILE H . 52940 1
65 . 1 . 1 62 62 ILE C C 13 174.150 0.3 . 1 . . . . . 62 ILE C . 52940 1
66 . 1 . 1 62 62 ILE CA C 13 60.031 0.3 . 1 . . . . . 62 ILE CA . 52940 1
67 . 1 . 1 62 62 ILE CB C 13 35.937 0.3 . 1 . . . . . 62 ILE CB . 52940 1
68 . 1 . 1 62 62 ILE N N 15 123.741 0.3 . 1 . . . . . 62 ILE N . 52940 1
69 . 1 . 1 63 63 LYS H H 1 8.339 0.020 . 1 . . . . . 63 LYS H . 52940 1
70 . 1 . 1 63 63 LYS CA C 13 54.402 0.3 . 1 . . . . . 63 LYS CA . 52940 1
71 . 1 . 1 63 63 LYS N N 15 126.991 0.3 . 1 . . . . . 63 LYS N . 52940 1
72 . 1 . 1 64 64 GLN H H 1 8.023 0.020 . 1 . . . . . 64 GLN H . 52940 1
73 . 1 . 1 64 64 GLN CA C 13 54.734 0.3 . 1 . . . . . 64 GLN CA . 52940 1
74 . 1 . 1 64 64 GLN CB C 13 29.816 0.3 . 1 . . . . . 64 GLN CB . 52940 1
75 . 1 . 1 64 64 GLN N N 15 120.052 0.3 . 1 . . . . . 64 GLN N . 52940 1
76 . 1 . 1 101 101 ASP H H 1 8.193 0.020 . 1 . . . . . 101 ASP H . 52940 1
77 . 1 . 1 101 101 ASP CA C 13 55.454 0.3 . 1 . . . . . 101 ASP CA . 52940 1
78 . 1 . 1 101 101 ASP CB C 13 38.928 0.3 . 1 . . . . . 101 ASP CB . 52940 1
79 . 1 . 1 101 101 ASP N N 15 119.066 0.3 . 1 . . . . . 101 ASP N . 52940 1
80 . 1 . 1 102 102 LEU H H 1 8.485 0.020 . 1 . . . . . 102 LEU H . 52940 1
81 . 1 . 1 102 102 LEU C C 13 177.753 0.3 . 1 . . . . . 102 LEU C . 52940 1
82 . 1 . 1 102 102 LEU CA C 13 56.664 0.3 . 1 . . . . . 102 LEU CA . 52940 1
83 . 1 . 1 102 102 LEU CB C 13 40.651 0.3 . 1 . . . . . 102 LEU CB . 52940 1
84 . 1 . 1 102 102 LEU N N 15 121.534 0.3 . 1 . . . . . 102 LEU N . 52940 1
85 . 1 . 1 103 103 THR H H 1 7.836 0.020 . 1 . . . . . 103 THR H . 52940 1
86 . 1 . 1 103 103 THR CA C 13 66.620 0.3 . 1 . . . . . 103 THR CA . 52940 1
87 . 1 . 1 103 103 THR N N 15 118.808 0.3 . 1 . . . . . 103 THR N . 52940 1
88 . 1 . 1 104 104 GLY H H 1 7.561 0.020 . 1 . . . . . 104 GLY H . 52940 1
89 . 1 . 1 104 104 GLY C C 13 177.028 0.3 . 1 . . . . . 104 GLY C . 52940 1
90 . 1 . 1 104 104 GLY CA C 13 46.114 0.3 . 1 . . . . . 104 GLY CA . 52940 1
91 . 1 . 1 104 104 GLY N N 15 110.621 0.3 . 1 . . . . . 104 GLY N . 52940 1
92 . 1 . 1 105 105 ALA H H 1 8.193 0.020 . 1 . . . . . 105 ALA H . 52940 1
93 . 1 . 1 105 105 ALA C C 13 178.082 0.3 . 1 . . . . . 105 ALA C . 52940 1
94 . 1 . 1 105 105 ALA CA C 13 54.100 0.3 . 1 . . . . . 105 ALA CA . 52940 1
95 . 1 . 1 105 105 ALA N N 15 124.134 0.3 . 1 . . . . . 105 ALA N . 52940 1
96 . 1 . 1 108 108 GLU H H 1 9.336 0.020 . 1 . . . . . 108 GLU H . 52940 1
97 . 1 . 1 108 108 GLU C C 13 180.253 0.3 . 1 . . . . . 108 GLU C . 52940 1
98 . 1 . 1 108 108 GLU CA C 13 58.048 0.3 . 1 . . . . . 108 GLU CA . 52940 1
99 . 1 . 1 108 108 GLU CB C 13 27.769 0.3 . 1 . . . . . 108 GLU CB . 52940 1
100 . 1 . 1 108 108 GLU N N 15 113.561 0.3 . 1 . . . . . 108 GLU N . 52940 1
101 . 1 . 1 109 109 LEU H H 1 9.276 0.020 . 1 . . . . . 109 LEU H . 52940 1
102 . 1 . 1 109 109 LEU C C 13 178.077 0.3 . 1 . . . . . 109 LEU C . 52940 1
103 . 1 . 1 109 109 LEU CA C 13 58.724 0.3 . 1 . . . . . 109 LEU CA . 52940 1
104 . 1 . 1 109 109 LEU CB C 13 38.829 0.3 . 1 . . . . . 109 LEU CB . 52940 1
105 . 1 . 1 109 109 LEU N N 15 122.157 0.3 . 1 . . . . . 109 LEU N . 52940 1
106 . 1 . 1 110 110 VAL H H 1 7.734 0.020 . 1 . . . . . 110 VAL H . 52940 1
107 . 1 . 1 110 110 VAL C C 13 172.547 0.3 . 1 . . . . . 110 VAL C . 52940 1
108 . 1 . 1 110 110 VAL CA C 13 61.145 0.3 . 1 . . . . . 110 VAL CA . 52940 1
109 . 1 . 1 110 110 VAL CB C 13 31.352 0.3 . 1 . . . . . 110 VAL CB . 52940 1
110 . 1 . 1 110 110 VAL N N 15 118.849 0.3 . 1 . . . . . 110 VAL N . 52940 1
111 . 1 . 1 111 111 ASN H H 1 7.651 0.020 . 1 . . . . . 111 ASN H . 52940 1
112 . 1 . 1 111 111 ASN C C 13 176.032 0.3 . 1 . . . . . 111 ASN C . 52940 1
113 . 1 . 1 111 111 ASN CA C 13 58.875 0.3 . 1 . . . . . 111 ASN CA . 52940 1
114 . 1 . 1 111 111 ASN CB C 13 39.258 0.3 . 1 . . . . . 111 ASN CB . 52940 1
115 . 1 . 1 111 111 ASN N N 15 124.757 0.3 . 1 . . . . . 111 ASN N . 52940 1
116 . 1 . 1 112 112 GLN H H 1 8.451 0.020 . 1 . . . . . 112 GLN H . 52940 1
117 . 1 . 1 112 112 GLN C C 13 174.507 0.3 . 1 . . . . . 112 GLN C . 52940 1
118 . 1 . 1 112 112 GLN CA C 13 58.775 0.3 . 1 . . . . . 112 GLN CA . 52940 1
119 . 1 . 1 112 112 GLN CB C 13 31.758 0.3 . 1 . . . . . 112 GLN CB . 52940 1
120 . 1 . 1 112 112 GLN N N 15 126.950 0.3 . 1 . . . . . 112 GLN N . 52940 1
121 . 1 . 1 140 140 SER H H 1 8.311 0.020 . 1 . . . . . 140 SER H . 52940 1
122 . 1 . 1 140 140 SER CA C 13 56.583 0.3 . 1 . . . . . 140 SER CA . 52940 1
123 . 1 . 1 140 140 SER CB C 13 63.188 0.3 . 1 . . . . . 140 SER CB . 52940 1
124 . 1 . 1 140 140 SER N N 15 116.462 0.3 . 1 . . . . . 140 SER N . 52940 1
125 . 1 . 1 141 141 LEU H H 1 8.924 0.020 . 1 . . . . . 141 LEU H . 52940 1
126 . 1 . 1 141 141 LEU CA C 13 53.196 0.3 . 1 . . . . . 141 LEU CA . 52940 1
127 . 1 . 1 141 141 LEU CB C 13 40.008 0.3 . 1 . . . . . 141 LEU CB . 52940 1
128 . 1 . 1 141 141 LEU N N 15 125.704 0.3 . 1 . . . . . 141 LEU N . 52940 1
129 . 1 . 1 142 142 GLY H H 1 7.912 0.020 . 1 . . . . . 142 GLY H . 52940 1
130 . 1 . 1 142 142 GLY CA C 13 43.521 0.3 . 1 . . . . . 142 GLY CA . 52940 1
131 . 1 . 1 142 142 GLY N N 15 106.444 0.3 . 1 . . . . . 142 GLY N . 52940 1
132 . 1 . 1 143 143 LEU H H 1 8.630 0.020 . 1 . . . . . 143 LEU H . 52940 1
133 . 1 . 1 143 143 LEU CA C 13 58.024 0.3 . 1 . . . . . 143 LEU CA . 52940 1
134 . 1 . 1 143 143 LEU CB C 13 41.640 0.3 . 1 . . . . . 143 LEU CB . 52940 1
135 . 1 . 1 143 143 LEU N N 15 117.621 0.3 . 1 . . . . . 143 LEU N . 52940 1
136 . 1 . 1 167 167 GLU H H 1 8.178 0.020 . 1 . . . . . 167 GLU H . 52940 1
137 . 1 . 1 167 167 GLU C C 13 174.572 0.3 . 1 . . . . . 167 GLU C . 52940 1
138 . 1 . 1 167 167 GLU CA C 13 53.849 0.3 . 1 . . . . . 167 GLU CA . 52940 1
139 . 1 . 1 167 167 GLU CB C 13 29.830 0.3 . 1 . . . . . 167 GLU CB . 52940 1
140 . 1 . 1 167 167 GLU N N 15 122.739 0.3 . 1 . . . . . 167 GLU N . 52940 1
141 . 1 . 1 168 168 GLY H H 1 8.631 0.020 . 1 . . . . . 168 GLY H . 52940 1
142 . 1 . 1 168 168 GLY CA C 13 43.929 0.3 . 1 . . . . . 168 GLY CA . 52940 1
143 . 1 . 1 168 168 GLY N N 15 116.846 0.3 . 1 . . . . . 168 GLY N . 52940 1
144 . 1 . 1 169 169 LEU H H 1 9.949 0.020 . 1 . . . . . 169 LEU H . 52940 1
145 . 1 . 1 169 169 LEU CA C 13 48.683 0.3 . 1 . . . . . 169 LEU CA . 52940 1
146 . 1 . 1 169 169 LEU N N 15 114.708 0.3 . 1 . . . . . 169 LEU N . 52940 1
147 . 1 . 1 170 170 SER H H 1 7.300 0.020 . 1 . . . . . 170 SER H . 52940 1
148 . 1 . 1 170 170 SER CA C 13 57.399 0.3 . 1 . . . . . 170 SER CA . 52940 1
149 . 1 . 1 170 170 SER CB C 13 64.826 0.3 . 1 . . . . . 170 SER CB . 52940 1
150 . 1 . 1 170 170 SER N N 15 114.166 0.3 . 1 . . . . . 170 SER N . 52940 1
151 . 1 . 1 171 171 GLN H H 1 8.027 0.020 . 1 . . . . . 171 GLN H . 52940 1
152 . 1 . 1 171 171 GLN CA C 13 54.603 0.3 . 1 . . . . . 171 GLN CA . 52940 1
153 . 1 . 1 171 171 GLN N N 15 122.238 0.3 . 1 . . . . . 171 GLN N . 52940 1
154 . 1 . 1 172 172 LEU H H 1 7.250 0.020 . 1 . . . . . 172 LEU H . 52940 1
155 . 1 . 1 172 172 LEU CA C 13 57.870 0.3 . 1 . . . . . 172 LEU CA . 52940 1
156 . 1 . 1 172 172 LEU N N 15 119.639 0.3 . 1 . . . . . 172 LEU N . 52940 1
157 . 1 . 1 173 173 THR H H 1 9.051 0.020 . 1 . . . . . 173 THR H . 52940 1
158 . 1 . 1 173 173 THR CA C 13 65.635 0.3 . 1 . . . . . 173 THR CA . 52940 1
159 . 1 . 1 173 173 THR CB C 13 67.129 0.3 . 1 . . . . . 173 THR CB . 52940 1
160 . 1 . 1 173 173 THR N N 15 111.653 0.3 . 1 . . . . . 173 THR N . 52940 1
161 . 1 . 1 174 174 HIS H H 1 8.129 0.020 . 1 . . . . . 174 HIS H . 52940 1
162 . 1 . 1 174 174 HIS C C 13 176.779 0.3 . 1 . . . . . 174 HIS C . 52940 1
163 . 1 . 1 174 174 HIS CA C 13 58.624 0.3 . 1 . . . . . 174 HIS CA . 52940 1
164 . 1 . 1 174 174 HIS CB C 13 27.901 0.3 . 1 . . . . . 174 HIS CB . 52940 1
165 . 1 . 1 174 174 HIS N N 15 121.954 0.3 . 1 . . . . . 174 HIS N . 52940 1
166 . 1 . 1 175 175 THR H H 1 7.846 0.020 . 1 . . . . . 175 THR H . 52940 1
167 . 1 . 1 175 175 THR CA C 13 67.508 0.3 . 1 . . . . . 175 THR CA . 52940 1
168 . 1 . 1 175 175 THR N N 15 117.784 0.3 . 1 . . . . . 175 THR N . 52940 1
169 . 1 . 1 181 181 GLN H H 1 7.587 0.020 . 1 . . . . . 181 GLN H . 52940 1
170 . 1 . 1 181 181 GLN C C 13 177.291 0.3 . 1 . . . . . 181 GLN C . 52940 1
171 . 1 . 1 181 181 GLN CA C 13 56.631 0.3 . 1 . . . . . 181 GLN CA . 52940 1
172 . 1 . 1 181 181 GLN N N 15 115.008 0.3 . 1 . . . . . 181 GLN N . 52940 1
173 . 1 . 1 182 182 GLY H H 1 7.468 0.020 . 1 . . . . . 182 GLY H . 52940 1
174 . 1 . 1 182 182 GLY CA C 13 46.306 0.3 . 1 . . . . . 182 GLY CA . 52940 1
175 . 1 . 1 182 182 GLY N N 15 104.271 0.3 . 1 . . . . . 182 GLY N . 52940 1
176 . 1 . 1 183 183 LEU H H 1 8.719 0.020 . 1 . . . . . 183 LEU H . 52940 1
177 . 1 . 1 183 183 LEU CA C 13 56.965 0.3 . 1 . . . . . 183 LEU CA . 52940 1
178 . 1 . 1 183 183 LEU N N 15 122.753 0.3 . 1 . . . . . 183 LEU N . 52940 1
179 . 1 . 1 184 184 ASN H H 1 8.297 0.020 . 1 . . . . . 184 ASN H . 52940 1
180 . 1 . 1 184 184 ASN CA C 13 49.812 0.3 . 1 . . . . . 184 ASN CA . 52940 1
181 . 1 . 1 184 184 ASN N N 15 111.595 0.3 . 1 . . . . . 184 ASN N . 52940 1
182 . 1 . 1 186 186 ASP H H 1 7.389 0.020 . 1 . . . . . 186 ASP H . 52940 1
183 . 1 . 1 186 186 ASP CA C 13 53.894 0.3 . 1 . . . . . 186 ASP CA . 52940 1
184 . 1 . 1 186 186 ASP CB C 13 40.923 0.3 . 1 . . . . . 186 ASP CB . 52940 1
185 . 1 . 1 186 186 ASP N N 15 115.008 0.3 . 1 . . . . . 186 ASP N . 52940 1
186 . 1 . 1 187 187 LEU H H 1 7.067 0.020 . 1 . . . . . 187 LEU H . 52940 1
187 . 1 . 1 187 187 LEU C C 13 175.870 0.3 . 1 . . . . . 187 LEU C . 52940 1
188 . 1 . 1 187 187 LEU CA C 13 56.111 0.3 . 1 . . . . . 187 LEU CA . 52940 1
189 . 1 . 1 187 187 LEU CB C 13 41.294 0.3 . 1 . . . . . 187 LEU CB . 52940 1
190 . 1 . 1 187 187 LEU N N 15 122.078 0.3 . 1 . . . . . 187 LEU N . 52940 1
191 . 1 . 1 188 188 LYS H H 1 8.071 0.020 . 1 . . . . . 188 LYS H . 52940 1
192 . 1 . 1 188 188 LYS C C 13 175.546 0.3 . 1 . . . . . 188 LYS C . 52940 1
193 . 1 . 1 188 188 LYS CA C 13 53.447 0.3 . 1 . . . . . 188 LYS CA . 52940 1
194 . 1 . 1 188 188 LYS CB C 13 34.544 0.3 . 1 . . . . . 188 LYS CB . 52940 1
195 . 1 . 1 188 188 LYS N N 15 126.192 0.3 . 1 . . . . . 188 LYS N . 52940 1
196 . 1 . 1 189 189 MET H H 1 8.715 0.020 . 1 . . . . . 189 MET H . 52940 1
197 . 1 . 1 189 189 MET C C 13 175.935 0.3 . 1 . . . . . 189 MET C . 52940 1
198 . 1 . 1 189 189 MET CA C 13 54.352 0.3 . 1 . . . . . 189 MET CA . 52940 1
199 . 1 . 1 189 189 MET CB C 13 31.544 0.3 . 1 . . . . . 189 MET CB . 52940 1
200 . 1 . 1 189 189 MET N N 15 120.870 0.3 . 1 . . . . . 189 MET N . 52940 1
201 . 1 . 1 192 192 ILE H H 1 8.149 0.020 . 1 . . . . . 192 ILE H . 52940 1
202 . 1 . 1 192 192 ILE C C 13 176.392 0.3 . 1 . . . . . 192 ILE C . 52940 1
203 . 1 . 1 192 192 ILE CA C 13 59.227 0.3 . 1 . . . . . 192 ILE CA . 52940 1
204 . 1 . 1 192 192 ILE CB C 13 39.687 0.3 . 1 . . . . . 192 ILE CB . 52940 1
205 . 1 . 1 192 192 ILE N N 15 120.640 0.3 . 1 . . . . . 192 ILE N . 52940 1
206 . 1 . 1 196 196 MET H H 1 6.877 0.020 . 1 . . . . . 196 MET H . 52940 1
207 . 1 . 1 196 196 MET C C 13 174.997 0.3 . 1 . . . . . 196 MET C . 52940 1
208 . 1 . 1 196 196 MET CA C 13 56.511 0.3 . 1 . . . . . 196 MET CA . 52940 1
209 . 1 . 1 196 196 MET CB C 13 26.745 0.3 . 1 . . . . . 196 MET CB . 52940 1
210 . 1 . 1 196 196 MET N N 15 112.548 0.3 . 1 . . . . . 196 MET N . 52940 1
211 . 1 . 1 197 197 PHE H H 1 8.015 0.020 . 1 . . . . . 197 PHE H . 52940 1
212 . 1 . 1 197 197 PHE CA C 13 59.464 0.3 . 1 . . . . . 197 PHE CA . 52940 1
213 . 1 . 1 197 197 PHE CB C 13 39.746 0.3 . 1 . . . . . 197 PHE CB . 52940 1
214 . 1 . 1 197 197 PHE N N 15 118.995 0.3 . 1 . . . . . 197 PHE N . 52940 1
215 . 1 . 1 198 198 ASP H H 1 7.171 0.020 . 1 . . . . . 198 ASP H . 52940 1
216 . 1 . 1 198 198 ASP CA C 13 51.336 0.3 . 1 . . . . . 198 ASP CA . 52940 1
217 . 1 . 1 198 198 ASP CB C 13 41.294 0.3 . 1 . . . . . 198 ASP CB . 52940 1
218 . 1 . 1 198 198 ASP N N 15 132.062 0.3 . 1 . . . . . 198 ASP N . 52940 1
219 . 1 . 1 199 199 SER H H 1 8.289 0.020 . 1 . . . . . 199 SER H . 52940 1
220 . 1 . 1 199 199 SER CA C 13 59.464 0.3 . 1 . . . . . 199 SER CA . 52940 1
221 . 1 . 1 199 199 SER CB C 13 62.293 0.3 . 1 . . . . . 199 SER CB . 52940 1
222 . 1 . 1 199 199 SER N N 15 118.337 0.3 . 1 . . . . . 199 SER N . 52940 1
223 . 1 . 1 200 200 ARG H H 1 8.096 0.020 . 1 . . . . . 200 ARG H . 52940 1
224 . 1 . 1 200 200 ARG C C 13 175.973 0.3 . 1 . . . . . 200 ARG C . 52940 1
225 . 1 . 1 200 200 ARG CA C 13 56.223 0.3 . 1 . . . . . 200 ARG CA . 52940 1
226 . 1 . 1 200 200 ARG CB C 13 29.407 0.3 . 1 . . . . . 200 ARG CB . 52940 1
227 . 1 . 1 200 200 ARG N N 15 120.276 0.3 . 1 . . . . . 200 ARG N . 52940 1
228 . 1 . 1 201 201 ALA H H 1 7.602 0.020 . 1 . . . . . 201 ALA H . 52940 1
229 . 1 . 1 201 201 ALA C C 13 177.331 0.3 . 1 . . . . . 201 ALA C . 52940 1
230 . 1 . 1 201 201 ALA CA C 13 50.130 0.3 . 1 . . . . . 201 ALA CA . 52940 1
231 . 1 . 1 201 201 ALA CB C 13 18.688 0.3 . 1 . . . . . 201 ALA CB . 52940 1
232 . 1 . 1 201 201 ALA N N 15 123.213 0.3 . 1 . . . . . 201 ALA N . 52940 1
233 . 1 . 1 206 206 GLN H H 1 8.358 0.020 . 1 . . . . . 206 GLN H . 52940 1
234 . 1 . 1 206 206 GLN C C 13 174.150 0.3 . 1 . . . . . 206 GLN C . 52940 1
235 . 1 . 1 206 206 GLN CA C 13 54.854 0.3 . 1 . . . . . 206 GLN CA . 52940 1
236 . 1 . 1 206 206 GLN N N 15 125.596 0.3 . 1 . . . . . 206 GLN N . 52940 1
237 . 1 . 1 207 207 VAL H H 1 8.379 0.020 . 1 . . . . . 207 VAL H . 52940 1
238 . 1 . 1 207 207 VAL CA C 13 62.466 0.3 . 1 . . . . . 207 VAL CA . 52940 1
239 . 1 . 1 207 207 VAL CB C 13 33.757 0.3 . 1 . . . . . 207 VAL CB . 52940 1
240 . 1 . 1 207 207 VAL N N 15 119.757 0.3 . 1 . . . . . 207 VAL N . 52940 1
241 . 1 . 1 208 208 VAL H H 1 8.846 0.020 . 1 . . . . . 208 VAL H . 52940 1
242 . 1 . 1 208 208 VAL CA C 13 63.398 0.3 . 1 . . . . . 208 VAL CA . 52940 1
243 . 1 . 1 208 208 VAL CB C 13 35.937 0.3 . 1 . . . . . 208 VAL CB . 52940 1
244 . 1 . 1 208 208 VAL N N 15 125.149 0.3 . 1 . . . . . 208 VAL N . 52940 1
245 . 1 . 1 213 213 GLY H H 1 7.481 0.020 . 1 . . . . . 213 GLY H . 52940 1
246 . 1 . 1 213 213 GLY CA C 13 45.226 0.3 . 1 . . . . . 213 GLY CA . 52940 1
247 . 1 . 1 213 213 GLY N N 15 103.614 0.3 . 1 . . . . . 213 GLY N . 52940 1
248 . 1 . 1 214 214 TYR H H 1 7.646 0.020 . 1 . . . . . 214 TYR H . 52940 1
249 . 1 . 1 214 214 TYR C C 13 178.629 0.3 . 1 . . . . . 214 TYR C . 52940 1
250 . 1 . 1 214 214 TYR CA C 13 57.669 0.3 . 1 . . . . . 214 TYR CA . 52940 1
251 . 1 . 1 214 214 TYR CB C 13 40.758 0.3 . 1 . . . . . 214 TYR CB . 52940 1
252 . 1 . 1 214 214 TYR N N 15 123.958 0.3 . 1 . . . . . 214 TYR N . 52940 1
253 . 1 . 1 215 215 PHE H H 1 8.058 0.020 . 1 . . . . . 215 PHE H . 52940 1
254 . 1 . 1 215 215 PHE CA C 13 60.737 0.3 . 1 . . . . . 215 PHE CA . 52940 1
255 . 1 . 1 215 215 PHE N N 15 113.632 0.3 . 1 . . . . . 215 PHE N . 52940 1
256 . 1 . 1 222 222 VAL H H 1 7.568 0.020 . 1 . . . . . 222 VAL H . 52940 1
257 . 1 . 1 222 222 VAL C C 13 176.283 0.3 . 1 . . . . . 222 VAL C . 52940 1
258 . 1 . 1 222 222 VAL CA C 13 60.016 0.3 . 1 . . . . . 222 VAL CA . 52940 1
259 . 1 . 1 222 222 VAL CB C 13 30.533 0.3 . 1 . . . . . 222 VAL CB . 52940 1
260 . 1 . 1 222 222 VAL N N 15 120.523 0.3 . 1 . . . . . 222 VAL N . 52940 1
261 . 1 . 1 223 223 ILE H H 1 8.436 0.020 . 1 . . . . . 223 ILE H . 52940 1
262 . 1 . 1 223 223 ILE C C 13 176.941 0.3 . 1 . . . . . 223 ILE C . 52940 1
263 . 1 . 1 223 223 ILE CA C 13 59.729 0.3 . 1 . . . . . 223 ILE CA . 52940 1
264 . 1 . 1 223 223 ILE CB C 13 37.972 0.3 . 1 . . . . . 223 ILE CB . 52940 1
265 . 1 . 1 223 223 ILE N N 15 126.016 0.3 . 1 . . . . . 223 ILE N . 52940 1
266 . 1 . 1 242 242 LEU H H 1 6.867 0.020 . 1 . . . . . 242 LEU H . 52940 1
267 . 1 . 1 242 242 LEU CA C 13 53.698 0.3 . 1 . . . . . 242 LEU CA . 52940 1
268 . 1 . 1 242 242 LEU CB C 13 41.615 0.3 . 1 . . . . . 242 LEU CB . 52940 1
269 . 1 . 1 242 242 LEU N N 15 116.174 0.3 . 1 . . . . . 242 LEU N . 52940 1
270 . 1 . 1 243 243 TYR H H 1 7.714 0.020 . 1 . . . . . 243 TYR H . 52940 1
271 . 1 . 1 243 243 TYR CA C 13 59.200 0.3 . 1 . . . . . 243 TYR CA . 52940 1
272 . 1 . 1 243 243 TYR CB C 13 41.384 0.3 . 1 . . . . . 243 TYR CB . 52940 1
273 . 1 . 1 243 243 TYR N N 15 120.910 0.3 . 1 . . . . . 243 TYR N . 52940 1
274 . 1 . 1 244 244 ASP H H 1 8.657 0.020 . 1 . . . . . 244 ASP H . 52940 1
275 . 1 . 1 244 244 ASP CA C 13 53.341 0.3 . 1 . . . . . 244 ASP CA . 52940 1
276 . 1 . 1 244 244 ASP CB C 13 39.643 0.3 . 1 . . . . . 244 ASP CB . 52940 1
277 . 1 . 1 244 244 ASP N N 15 115.668 0.3 . 1 . . . . . 244 ASP N . 52940 1
278 . 1 . 1 245 245 ILE H H 1 8.627 0.020 . 1 . . . . . 245 ILE H . 52940 1
279 . 1 . 1 245 245 ILE C C 13 175.448 0.3 . 1 . . . . . 245 ILE C . 52940 1
280 . 1 . 1 245 245 ILE CA C 13 62.192 0.3 . 1 . . . . . 245 ILE CA . 52940 1
281 . 1 . 1 245 245 ILE CB C 13 37.544 0.3 . 1 . . . . . 245 ILE CB . 52940 1
282 . 1 . 1 245 245 ILE N N 15 128.770 0.3 . 1 . . . . . 245 ILE N . 52940 1
283 . 1 . 1 246 246 LYS H H 1 7.585 0.020 . 1 . . . . . 246 LYS H . 52940 1
284 . 1 . 1 246 246 LYS C C 13 177.074 0.3 . 1 . . . . . 246 LYS C . 52940 1
285 . 1 . 1 246 246 LYS CA C 13 54.974 0.3 . 1 . . . . . 246 LYS CA . 52940 1
286 . 1 . 1 246 246 LYS CB C 13 30.789 0.3 . 1 . . . . . 246 LYS CB . 52940 1
287 . 1 . 1 246 246 LYS N N 15 118.096 0.3 . 1 . . . . . 246 LYS N . 52940 1
288 . 1 . 1 249 249 GLY H H 1 8.025 0.020 . 1 . . . . . 249 GLY H . 52940 1
289 . 1 . 1 249 249 GLY CA C 13 46.642 0.3 . 1 . . . . . 249 GLY CA . 52940 1
290 . 1 . 1 249 249 GLY N N 15 104.663 0.3 . 1 . . . . . 249 GLY N . 52940 1
291 . 1 . 1 250 250 CYS H H 1 7.247 0.020 . 1 . . . . . 250 CYS H . 52940 1
292 . 1 . 1 250 250 CYS C C 13 176.130 0.3 . 1 . . . . . 250 CYS C . 52940 1
293 . 1 . 1 250 250 CYS CA C 13 61.589 0.3 . 1 . . . . . 250 CYS CA . 52940 1
294 . 1 . 1 250 250 CYS CB C 13 25.330 0.3 . 1 . . . . . 250 CYS CB . 52940 1
295 . 1 . 1 250 250 CYS N N 15 120.994 0.3 . 1 . . . . . 250 CYS N . 52940 1
296 . 1 . 1 251 251 GLU H H 1 7.932 0.020 . 1 . . . . . 251 GLU H . 52940 1
297 . 1 . 1 251 251 GLU CA C 13 59.272 0.3 . 1 . . . . . 251 GLU CA . 52940 1
298 . 1 . 1 251 251 GLU N N 15 119.086 0.3 . 1 . . . . . 251 GLU N . 52940 1
299 . 1 . 1 252 252 SER H H 1 7.346 0.020 . 1 . . . . . 252 SER H . 52940 1
300 . 1 . 1 252 252 SER CA C 13 57.468 0.3 . 1 . . . . . 252 SER CA . 52940 1
301 . 1 . 1 252 252 SER CB C 13 66.471 0.3 . 1 . . . . . 252 SER CB . 52940 1
302 . 1 . 1 252 252 SER N N 15 116.887 0.3 . 1 . . . . . 252 SER N . 52940 1
303 . 1 . 1 253 253 TYR H H 1 7.603 0.020 . 1 . . . . . 253 TYR H . 52940 1
304 . 1 . 1 253 253 TYR CA C 13 56.679 0.3 . 1 . . . . . 253 TYR CA . 52940 1
305 . 1 . 1 253 253 TYR CB C 13 40.309 0.3 . 1 . . . . . 253 TYR CB . 52940 1
306 . 1 . 1 253 253 TYR N N 15 116.471 0.3 . 1 . . . . . 253 TYR N . 52940 1
307 . 1 . 1 262 262 LYS H H 1 7.761 0.020 . 1 . . . . . 262 LYS H . 52940 1
308 . 1 . 1 262 262 LYS C C 13 178.098 0.3 . 1 . . . . . 262 LYS C . 52940 1
309 . 1 . 1 262 262 LYS CA C 13 57.856 0.3 . 1 . . . . . 262 LYS CA . 52940 1
310 . 1 . 1 262 262 LYS CB C 13 31.300 0.3 . 1 . . . . . 262 LYS CB . 52940 1
311 . 1 . 1 262 262 LYS N N 15 119.879 0.3 . 1 . . . . . 262 LYS N . 52940 1
312 . 1 . 1 263 263 ARG H H 1 7.566 0.020 . 1 . . . . . 263 ARG H . 52940 1
313 . 1 . 1 263 263 ARG C C 13 176.516 0.3 . 1 . . . . . 263 ARG C . 52940 1
314 . 1 . 1 263 263 ARG CA C 13 57.111 0.3 . 1 . . . . . 263 ARG CA . 52940 1
315 . 1 . 1 263 263 ARG CB C 13 29.202 0.3 . 1 . . . . . 263 ARG CB . 52940 1
316 . 1 . 1 263 263 ARG N N 15 118.739 0.3 . 1 . . . . . 263 ARG N . 52940 1
317 . 1 . 1 264 264 ASP H H 1 7.680 0.020 . 1 . . . . . 264 ASP H . 52940 1
318 . 1 . 1 264 264 ASP CA C 13 54.110 0.3 . 1 . . . . . 264 ASP CA . 52940 1
319 . 1 . 1 264 264 ASP CB C 13 40.821 0.3 . 1 . . . . . 264 ASP CB . 52940 1
320 . 1 . 1 264 264 ASP N N 15 119.937 0.3 . 1 . . . . . 264 ASP N . 52940 1
321 . 1 . 1 265 265 THR H H 1 7.504 0.020 . 1 . . . . . 265 THR H . 52940 1
322 . 1 . 1 265 265 THR C C 13 179.183 0.3 . 1 . . . . . 265 THR C . 52940 1
323 . 1 . 1 265 265 THR CA C 13 63.450 0.3 . 1 . . . . . 265 THR CA . 52940 1
324 . 1 . 1 265 265 THR CB C 13 70.200 0.3 . 1 . . . . . 265 THR CB . 52940 1
325 . 1 . 1 265 265 THR N N 15 119.537 0.3 . 1 . . . . . 265 THR N . 52940 1
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