data_52944
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52944
_Entry.Title
;
Partial assignment of the Annexin A11 low complexity domain (LCD)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2025-02-28
_Entry.Accession_date 2025-02-28
_Entry.Last_release_date 2025-02-28
_Entry.Original_release_date 2025-02-28
_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 .
_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 Seema Qamar . . . . 52944
2 Jane Wagstaff . L. . . 52944
3 Jonathon Nixon-Abell . . . . 52944
4 Stefan Freund . M.V. . . 52944
5 Peter 'St George-Hyslop' . . . . 52944
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52944
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 216 52944
'15N chemical shifts' 68 52944
'1H chemical shifts' 68 52944
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 . . 2025-03-11 . original BMRB . 52944
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52944
_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
;
ANXA11 biomolecular condensates facilitate protein-lipid phase coupling on lysosomal membranes
;
_Citation.Status submitted
_Citation.Type journal
_Citation.Journal_abbrev 'Nat. Commun.'
_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 Jonathon Nixon-Abell . . . . 52944 1
2 Francesco Ruggeri . S. . . 52944 1
3 Seema Qamar . . . . 52944 1
4 Therese Herling . W. . . 52944 1
5 Magdalena Czekalska . A. . . 52944 1
6 Yi Shen . . . . 52944 1
7 Guzhen Wang . . . . 52944 1
8 Christopher King . . . . 52944 1
9 Michael Fernandopulle . S. . . 52944 1
10 Tomas Sneideris . . . . 52944 1
11 Joseph Watson . L. . . 52944 1
12 Visakh Pillai . V.S. . . 52944 1
13 William Meadows . . . . 52944 1
14 James Henderson . W. . . 52944 1
15 Joseph Chambers . E. . . 52944 1
16 Jane Wagstaff . L. . . 52944 1
17 Sioned Williams . H. . . 52944 1
18 Helena Coyle . . . . 52944 1
19 Greta Sneideriene . . . . 52944 1
20 Yuqian Lu . . . . 52944 1
21 Shuyuan Zhang . . . . 52944 1
22 Stefan Marciniak . J. . . 52944 1
23 Stefan Freund . M.V. . . 52944 1
24 Emmanuel Derivery . . . . 52944 1
25 Michael Ward . E. . . 52944 1
26 Michele Vendruscolo . . . . 52944 1
27 Tuomas Knowles . P.J. . . 52944 1
28 Peter 'St George-Hyslop' . . . . 52944 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52944
_Assembly.ID 1
_Assembly.Name AnnexinA11LCD
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_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 .
_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 'Annexin A11' 1 $entity_1 . . yes native no no . . . 52944 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52944
_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
;
MSYPGYPPPPGGYPPAAPGG
GPWGGAAYPPPPSMPPIGLD
NVATYAGQFNQDYLSGMAAN
MSGTFGGANMPNLYPGAPGA
GYPPVPPGGFGQPPSAQQPV
PPYGMYPPPGGNPPSRMPSY
PPYPGAPVPGQPMPPPGQQP
PGAYPGQPPVTYPGQPPVPL
PGQQQPVPSYPGYPGSGTVT
PAVPP
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_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 185
_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_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 . MET . 52944 1
2 . SER . 52944 1
3 . TYR . 52944 1
4 . PRO . 52944 1
5 . GLY . 52944 1
6 . TYR . 52944 1
7 . PRO . 52944 1
8 . PRO . 52944 1
9 . PRO . 52944 1
10 . PRO . 52944 1
11 . GLY . 52944 1
12 . GLY . 52944 1
13 . TYR . 52944 1
14 . PRO . 52944 1
15 . PRO . 52944 1
16 . ALA . 52944 1
17 . ALA . 52944 1
18 . PRO . 52944 1
19 . GLY . 52944 1
20 . GLY . 52944 1
21 . GLY . 52944 1
22 . PRO . 52944 1
23 . TRP . 52944 1
24 . GLY . 52944 1
25 . GLY . 52944 1
26 . ALA . 52944 1
27 . ALA . 52944 1
28 . TYR . 52944 1
29 . PRO . 52944 1
30 . PRO . 52944 1
31 . PRO . 52944 1
32 . PRO . 52944 1
33 . SER . 52944 1
34 . MET . 52944 1
35 . PRO . 52944 1
36 . PRO . 52944 1
37 . ILE . 52944 1
38 . GLY . 52944 1
39 . LEU . 52944 1
40 . ASP . 52944 1
41 . ASN . 52944 1
42 . VAL . 52944 1
43 . ALA . 52944 1
44 . THR . 52944 1
45 . TYR . 52944 1
46 . ALA . 52944 1
47 . GLY . 52944 1
48 . GLN . 52944 1
49 . PHE . 52944 1
50 . ASN . 52944 1
51 . GLN . 52944 1
52 . ASP . 52944 1
53 . TYR . 52944 1
54 . LEU . 52944 1
55 . SER . 52944 1
56 . GLY . 52944 1
57 . MET . 52944 1
58 . ALA . 52944 1
59 . ALA . 52944 1
60 . ASN . 52944 1
61 . MET . 52944 1
62 . SER . 52944 1
63 . GLY . 52944 1
64 . THR . 52944 1
65 . PHE . 52944 1
66 . GLY . 52944 1
67 . GLY . 52944 1
68 . ALA . 52944 1
69 . ASN . 52944 1
70 . MET . 52944 1
71 . PRO . 52944 1
72 . ASN . 52944 1
73 . LEU . 52944 1
74 . TYR . 52944 1
75 . PRO . 52944 1
76 . GLY . 52944 1
77 . ALA . 52944 1
78 . PRO . 52944 1
79 . GLY . 52944 1
80 . ALA . 52944 1
81 . GLY . 52944 1
82 . TYR . 52944 1
83 . PRO . 52944 1
84 . PRO . 52944 1
85 . VAL . 52944 1
86 . PRO . 52944 1
87 . PRO . 52944 1
88 . GLY . 52944 1
89 . GLY . 52944 1
90 . PHE . 52944 1
91 . GLY . 52944 1
92 . GLN . 52944 1
93 . PRO . 52944 1
94 . PRO . 52944 1
95 . SER . 52944 1
96 . ALA . 52944 1
97 . GLN . 52944 1
98 . GLN . 52944 1
99 . PRO . 52944 1
100 . VAL . 52944 1
101 . PRO . 52944 1
102 . PRO . 52944 1
103 . TYR . 52944 1
104 . GLY . 52944 1
105 . MET . 52944 1
106 . TYR . 52944 1
107 . PRO . 52944 1
108 . PRO . 52944 1
109 . PRO . 52944 1
110 . GLY . 52944 1
111 . GLY . 52944 1
112 . ASN . 52944 1
113 . PRO . 52944 1
114 . PRO . 52944 1
115 . SER . 52944 1
116 . ARG . 52944 1
117 . MET . 52944 1
118 . PRO . 52944 1
119 . SER . 52944 1
120 . TYR . 52944 1
121 . PRO . 52944 1
122 . PRO . 52944 1
123 . TYR . 52944 1
124 . PRO . 52944 1
125 . GLY . 52944 1
126 . ALA . 52944 1
127 . PRO . 52944 1
128 . VAL . 52944 1
129 . PRO . 52944 1
130 . GLY . 52944 1
131 . GLN . 52944 1
132 . PRO . 52944 1
133 . MET . 52944 1
134 . PRO . 52944 1
135 . PRO . 52944 1
136 . PRO . 52944 1
137 . GLY . 52944 1
138 . GLN . 52944 1
139 . GLN . 52944 1
140 . PRO . 52944 1
141 . PRO . 52944 1
142 . GLY . 52944 1
143 . ALA . 52944 1
144 . TYR . 52944 1
145 . PRO . 52944 1
146 . GLY . 52944 1
147 . GLN . 52944 1
148 . PRO . 52944 1
149 . PRO . 52944 1
150 . VAL . 52944 1
151 . THR . 52944 1
152 . TYR . 52944 1
153 . PRO . 52944 1
154 . GLY . 52944 1
155 . GLN . 52944 1
156 . PRO . 52944 1
157 . PRO . 52944 1
158 . VAL . 52944 1
159 . PRO . 52944 1
160 . LEU . 52944 1
161 . PRO . 52944 1
162 . GLY . 52944 1
163 . GLN . 52944 1
164 . GLN . 52944 1
165 . GLN . 52944 1
166 . PRO . 52944 1
167 . VAL . 52944 1
168 . PRO . 52944 1
169 . SER . 52944 1
170 . TYR . 52944 1
171 . PRO . 52944 1
172 . GLY . 52944 1
173 . TYR . 52944 1
174 . PRO . 52944 1
175 . GLY . 52944 1
176 . SER . 52944 1
177 . GLY . 52944 1
178 . THR . 52944 1
179 . VAL . 52944 1
180 . THR . 52944 1
181 . PRO . 52944 1
182 . ALA . 52944 1
183 . VAL . 52944 1
184 . PRO . 52944 1
185 . PRO . 52944 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
. MET 1 1 52944 1
. SER 2 2 52944 1
. TYR 3 3 52944 1
. PRO 4 4 52944 1
. GLY 5 5 52944 1
. TYR 6 6 52944 1
. PRO 7 7 52944 1
. PRO 8 8 52944 1
. PRO 9 9 52944 1
. PRO 10 10 52944 1
. GLY 11 11 52944 1
. GLY 12 12 52944 1
. TYR 13 13 52944 1
. PRO 14 14 52944 1
. PRO 15 15 52944 1
. ALA 16 16 52944 1
. ALA 17 17 52944 1
. PRO 18 18 52944 1
. GLY 19 19 52944 1
. GLY 20 20 52944 1
. GLY 21 21 52944 1
. PRO 22 22 52944 1
. TRP 23 23 52944 1
. GLY 24 24 52944 1
. GLY 25 25 52944 1
. ALA 26 26 52944 1
. ALA 27 27 52944 1
. TYR 28 28 52944 1
. PRO 29 29 52944 1
. PRO 30 30 52944 1
. PRO 31 31 52944 1
. PRO 32 32 52944 1
. SER 33 33 52944 1
. MET 34 34 52944 1
. PRO 35 35 52944 1
. PRO 36 36 52944 1
. ILE 37 37 52944 1
. GLY 38 38 52944 1
. LEU 39 39 52944 1
. ASP 40 40 52944 1
. ASN 41 41 52944 1
. VAL 42 42 52944 1
. ALA 43 43 52944 1
. THR 44 44 52944 1
. TYR 45 45 52944 1
. ALA 46 46 52944 1
. GLY 47 47 52944 1
. GLN 48 48 52944 1
. PHE 49 49 52944 1
. ASN 50 50 52944 1
. GLN 51 51 52944 1
. ASP 52 52 52944 1
. TYR 53 53 52944 1
. LEU 54 54 52944 1
. SER 55 55 52944 1
. GLY 56 56 52944 1
. MET 57 57 52944 1
. ALA 58 58 52944 1
. ALA 59 59 52944 1
. ASN 60 60 52944 1
. MET 61 61 52944 1
. SER 62 62 52944 1
. GLY 63 63 52944 1
. THR 64 64 52944 1
. PHE 65 65 52944 1
. GLY 66 66 52944 1
. GLY 67 67 52944 1
. ALA 68 68 52944 1
. ASN 69 69 52944 1
. MET 70 70 52944 1
. PRO 71 71 52944 1
. ASN 72 72 52944 1
. LEU 73 73 52944 1
. TYR 74 74 52944 1
. PRO 75 75 52944 1
. GLY 76 76 52944 1
. ALA 77 77 52944 1
. PRO 78 78 52944 1
. GLY 79 79 52944 1
. ALA 80 80 52944 1
. GLY 81 81 52944 1
. TYR 82 82 52944 1
. PRO 83 83 52944 1
. PRO 84 84 52944 1
. VAL 85 85 52944 1
. PRO 86 86 52944 1
. PRO 87 87 52944 1
. GLY 88 88 52944 1
. GLY 89 89 52944 1
. PHE 90 90 52944 1
. GLY 91 91 52944 1
. GLN 92 92 52944 1
. PRO 93 93 52944 1
. PRO 94 94 52944 1
. SER 95 95 52944 1
. ALA 96 96 52944 1
. GLN 97 97 52944 1
. GLN 98 98 52944 1
. PRO 99 99 52944 1
. VAL 100 100 52944 1
. PRO 101 101 52944 1
. PRO 102 102 52944 1
. TYR 103 103 52944 1
. GLY 104 104 52944 1
. MET 105 105 52944 1
. TYR 106 106 52944 1
. PRO 107 107 52944 1
. PRO 108 108 52944 1
. PRO 109 109 52944 1
. GLY 110 110 52944 1
. GLY 111 111 52944 1
. ASN 112 112 52944 1
. PRO 113 113 52944 1
. PRO 114 114 52944 1
. SER 115 115 52944 1
. ARG 116 116 52944 1
. MET 117 117 52944 1
. PRO 118 118 52944 1
. SER 119 119 52944 1
. TYR 120 120 52944 1
. PRO 121 121 52944 1
. PRO 122 122 52944 1
. TYR 123 123 52944 1
. PRO 124 124 52944 1
. GLY 125 125 52944 1
. ALA 126 126 52944 1
. PRO 127 127 52944 1
. VAL 128 128 52944 1
. PRO 129 129 52944 1
. GLY 130 130 52944 1
. GLN 131 131 52944 1
. PRO 132 132 52944 1
. MET 133 133 52944 1
. PRO 134 134 52944 1
. PRO 135 135 52944 1
. PRO 136 136 52944 1
. GLY 137 137 52944 1
. GLN 138 138 52944 1
. GLN 139 139 52944 1
. PRO 140 140 52944 1
. PRO 141 141 52944 1
. GLY 142 142 52944 1
. ALA 143 143 52944 1
. TYR 144 144 52944 1
. PRO 145 145 52944 1
. GLY 146 146 52944 1
. GLN 147 147 52944 1
. PRO 148 148 52944 1
. PRO 149 149 52944 1
. VAL 150 150 52944 1
. THR 151 151 52944 1
. TYR 152 152 52944 1
. PRO 153 153 52944 1
. GLY 154 154 52944 1
. GLN 155 155 52944 1
. PRO 156 156 52944 1
. PRO 157 157 52944 1
. VAL 158 158 52944 1
. PRO 159 159 52944 1
. LEU 160 160 52944 1
. PRO 161 161 52944 1
. GLY 162 162 52944 1
. GLN 163 163 52944 1
. GLN 164 164 52944 1
. GLN 165 165 52944 1
. PRO 166 166 52944 1
. VAL 167 167 52944 1
. PRO 168 168 52944 1
. SER 169 169 52944 1
. TYR 170 170 52944 1
. PRO 171 171 52944 1
. GLY 172 172 52944 1
. TYR 173 173 52944 1
. PRO 174 174 52944 1
. GLY 175 175 52944 1
. SER 176 176 52944 1
. GLY 177 177 52944 1
. THR 178 178 52944 1
. VAL 179 179 52944 1
. THR 180 180 52944 1
. PRO 181 181 52944 1
. ALA 182 182 52944 1
. VAL 183 183 52944 1
. PRO 184 184 52944 1
. PRO 185 185 52944 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 52944
_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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52944 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 52944
_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 BL21 DE3 . plasmid . . 'pOPINS (Merck)' . . . 52944 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52944
_Sample.ID 1
_Sample.Name 'NCD AnnexinA11 LCD'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '95% H2O/5% 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 'Annexin A11 LCD' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 150 . . uM . . . . 52944 1
2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 52944 1
3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 52944 1
4 NaCl 'natural abundance' . . . . . . 225 . . mM . . . . 52944 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 52944
_Sample.ID 2
_Sample.Name 'NC AnnexinA11 LCD'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '95% H2O/5% 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 'Annexin A11 LCD' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 50 . . uM . . . . 52944 2
2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 52944 2
3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 52944 2
4 NaCl 'natural abundance' . . . . . . 225 . . mM . . . . 52944 2
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 52944
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'NMR conditions'
_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' 250 . mM 52944 1
pH 7.4 . pH 52944 1
pressure 1 . atm 52944 1
temperature 278 . K 52944 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52944
_Software.ID 1
_Software.Type .
_Software.Name TOPSPIN
_Software.Version 3.6.0
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52944 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52944
_Software.ID 2
_Software.Type .
_Software.Name NMRPipe
_Software.Version 10.4
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52944 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52944
_Software.ID 3
_Software.Type .
_Software.Name NMRFAM-SPARKY
_Software.Version 3.115
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'peak picking' . 52944 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 52944
_Software.ID 4
_Software.Type .
_Software.Name MARS
_Software.Version 1.1
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52944 4
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 52944
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name '700 MHz'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
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 52944
_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 BEST-TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
2 '3D BEST-trHNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
3 '3D BEST-trHNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
4 '3D BEST-trHNCOCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
5 '3D BEST-trHNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
6 '3D BEST-trHNCOCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
7 '3D BEST-trHNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
8 c_hcacon_ia no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
9 c_hcacon_ia3d no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
10 c_hcanco_ia3d no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 1
11 c_hcbcacon_ia3d no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52944 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 52944
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name Buffer_reference
_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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52944 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52944 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52944 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 52944
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Annexin A11 LCD chemical shifts'
_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
2 '3D BEST-trHNCO' . . . 52944 1
3 '3D BEST-trHNCACO' . . . 52944 1
4 '3D BEST-trHNCOCA' . . . 52944 1
5 '3D BEST-trHNCA' . . . 52944 1
6 '3D BEST-trHNCOCACB' . . . 52944 1
7 '3D BEST-trHNCACB' . . . 52944 1
8 c_hcacon_ia . . . 52944 1
9 c_hcacon_ia3d . . . 52944 1
10 c_hcanco_ia3d . . . 52944 1
11 c_hcbcacon_ia3d . . . 52944 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
3 $software_3 . . 52944 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 18 18 PRO C C 13 178.183 0.000 . 1 . . . . . 18 P CO . 52944 1
2 . 1 . 1 18 18 PRO CA C 13 63.966 0.000 . 1 . . . . . 18 P CA . 52944 1
3 . 1 . 1 18 18 PRO CB C 13 32.160 0.000 . 1 . . . . . 18 P CB . 52944 1
4 . 1 . 1 19 19 GLY H H 1 8.312 0.000 . 1 . . . . . 19 G HN . 52944 1
5 . 1 . 1 19 19 GLY C C 13 175.078 0.012 . 1 . . . . . 19 G CO . 52944 1
6 . 1 . 1 19 19 GLY CA C 13 45.620 0.000 . 1 . . . . . 19 G CA . 52944 1
7 . 1 . 1 19 19 GLY N N 15 110.474 0.000 . 1 . . . . . 19 G N . 52944 1
8 . 1 . 1 20 20 GLY H H 1 8.008 0.000 . 1 . . . . . 20 G HN . 52944 1
9 . 1 . 1 20 20 GLY C C 13 174.697 0.010 . 1 . . . . . 20 G CO . 52944 1
10 . 1 . 1 20 20 GLY CA C 13 45.367 0.005 . 1 . . . . . 20 G CA . 52944 1
11 . 1 . 1 20 20 GLY N N 15 108.907 0.000 . 1 . . . . . 20 G N . 52944 1
12 . 1 . 1 21 21 GLY H H 1 7.879 0.000 . 1 . . . . . 21 G HN . 52944 1
13 . 1 . 1 21 21 GLY C C 13 172.211 0.000 . 1 . . . . . 21 G CO . 52944 1
14 . 1 . 1 21 21 GLY CA C 13 44.800 0.000 . 1 . . . . . 21 G CA . 52944 1
15 . 1 . 1 21 21 GLY N N 15 109.265 0.000 . 1 . . . . . 21 G N . 52944 1
16 . 1 . 1 22 22 PRO C C 13 177.483 0.000 . 1 . . . . . 22 P CO . 52944 1
17 . 1 . 1 22 22 PRO CA C 13 63.605 0.000 . 1 . . . . . 22 P CA . 52944 1
18 . 1 . 1 22 22 PRO CB C 13 32.225 0.000 . 1 . . . . . 22 P CB . 52944 1
19 . 1 . 1 23 23 TRP H H 1 8.038 0.000 . 1 . . . . . 23 W HN . 52944 1
20 . 1 . 1 23 23 TRP C C 13 177.503 0.000 . 1 . . . . . 23 W CO . 52944 1
21 . 1 . 1 23 23 TRP CA C 13 57.447 0.002 . 1 . . . . . 23 W CA . 52944 1
22 . 1 . 1 23 23 TRP CB C 13 29.304 0.024 . 1 . . . . . 23 W CB . 52944 1
23 . 1 . 1 23 23 TRP N N 15 121.309 0.000 . 1 . . . . . 23 W N . 52944 1
24 . 1 . 1 24 24 GLY H H 1 7.950 0.000 . 1 . . . . . 24 G HN . 52944 1
25 . 1 . 1 24 24 GLY C C 13 174.885 0.021 . 1 . . . . . 24 G CO . 52944 1
26 . 1 . 1 24 24 GLY CA C 13 45.960 0.017 . 1 . . . . . 24 G CA . 52944 1
27 . 1 . 1 24 24 GLY N N 15 111.688 0.000 . 1 . . . . . 24 G N . 52944 1
28 . 1 . 1 25 25 GLY H H 1 7.370 0.000 . 1 . . . . . 25 G HN . 52944 1
29 . 1 . 1 25 25 GLY C C 13 174.026 0.003 . 1 . . . . . 25 G CO . 52944 1
30 . 1 . 1 25 25 GLY CA C 13 45.300 0.013 . 1 . . . . . 25 G CA . 52944 1
31 . 1 . 1 25 25 GLY N N 15 108.299 0.000 . 1 . . . . . 25 G N . 52944 1
32 . 1 . 1 26 26 ALA H H 1 7.684 0.000 . 1 . . . . . 26 A HN . 52944 1
33 . 1 . 1 26 26 ALA C C 13 177.470 0.015 . 1 . . . . . 26 A CO . 52944 1
34 . 1 . 1 26 26 ALA CA C 13 52.590 0.000 . 1 . . . . . 26 A CA . 52944 1
35 . 1 . 1 26 26 ALA CB C 13 19.829 0.019 . 1 . . . . . 26 A CB . 52944 1
36 . 1 . 1 26 26 ALA N N 15 123.651 0.000 . 1 . . . . . 26 A N . 52944 1
37 . 1 . 1 27 27 ALA H H 1 7.963 0.000 . 1 . . . . . 27 A HN . 52944 1
38 . 1 . 1 27 27 ALA C C 13 177.067 0.007 . 1 . . . . . 27 A CO . 52944 1
39 . 1 . 1 27 27 ALA CA C 13 52.649 0.055 . 1 . . . . . 27 A CA . 52944 1
40 . 1 . 1 27 27 ALA CB C 13 19.637 0.005 . 1 . . . . . 27 A CB . 52944 1
41 . 1 . 1 27 27 ALA N N 15 122.732 0.000 . 1 . . . . . 27 A N . 52944 1
42 . 1 . 1 28 28 TYR H H 1 7.600 0.000 . 1 . . . . . 28 Y HN . 52944 1
43 . 1 . 1 28 28 TYR C C 13 173.305 0.000 . 1 . . . . . 28 Y CO . 52944 1
44 . 1 . 1 28 28 TYR CA C 13 55.597 0.000 . 1 . . . . . 28 Y CA . 52944 1
45 . 1 . 1 28 28 TYR CB C 13 38.480 0.000 . 1 . . . . . 28 Y CB . 52944 1
46 . 1 . 1 28 28 TYR N N 15 119.527 0.000 . 1 . . . . . 28 Y N . 52944 1
47 . 1 . 1 32 32 PRO C C 13 177.194 0.000 . 1 . . . . . 32 P CO . 52944 1
48 . 1 . 1 32 32 PRO CA C 13 63.389 0.000 . 1 . . . . . 32 P CA . 52944 1
49 . 1 . 1 33 33 SER H H 1 8.115 0.000 . 1 . . . . . 33 S HN . 52944 1
50 . 1 . 1 33 33 SER C C 13 175.701 0.369 . 1 . . . . . 33 S CO . 52944 1
51 . 1 . 1 33 33 SER CA C 13 57.326 1.305 . 1 . . . . . 33 S CA . 52944 1
52 . 1 . 1 33 33 SER CB C 13 64.303 0.000 . 1 . . . . . 33 S CB . 52944 1
53 . 1 . 1 33 33 SER N N 15 116.253 0.000 . 1 . . . . . 33 S N . 52944 1
54 . 1 . 1 34 34 MET H H 1 8.103 0.000 . 1 . . . . . 34 M HN . 52944 1
55 . 1 . 1 34 34 MET C C 13 174.153 0.000 . 1 . . . . . 34 M CO . 52944 1
56 . 1 . 1 34 34 MET CA C 13 53.921 0.000 . 1 . . . . . 34 M CA . 52944 1
57 . 1 . 1 34 34 MET N N 15 123.240 0.000 . 1 . . . . . 34 M N . 52944 1
58 . 1 . 1 36 36 PRO C C 13 177.189 0.000 . 1 . . . . . 36 P CO . 52944 1
59 . 1 . 1 36 36 PRO CA C 13 63.092 0.000 . 1 . . . . . 36 P CA . 52944 1
60 . 1 . 1 36 36 PRO CB C 13 32.216 0.000 . 1 . . . . . 36 P CB . 52944 1
61 . 1 . 1 37 37 ILE H H 1 7.990 0.000 . 1 . . . . . 37 I HN . 52944 1
62 . 1 . 1 37 37 ILE C C 13 177.154 0.007 . 1 . . . . . 37 I CO . 52944 1
63 . 1 . 1 37 37 ILE CA C 13 61.564 0.009 . 1 . . . . . 37 I CA . 52944 1
64 . 1 . 1 37 37 ILE CB C 13 39.221 0.018 . 1 . . . . . 37 I CB . 52944 1
65 . 1 . 1 37 37 ILE N N 15 121.493 0.000 . 1 . . . . . 37 I N . 52944 1
66 . 1 . 1 38 38 GLY H H 1 8.239 0.000 . 1 . . . . . 38 G HN . 52944 1
67 . 1 . 1 38 38 GLY C C 13 174.532 0.004 . 1 . . . . . 38 G CO . 52944 1
68 . 1 . 1 38 38 GLY CA C 13 45.539 0.002 . 1 . . . . . 38 G CA . 52944 1
69 . 1 . 1 38 38 GLY N N 15 113.365 0.000 . 1 . . . . . 38 G N . 52944 1
70 . 1 . 1 39 39 LEU H H 1 7.946 0.000 . 1 . . . . . 39 L HN . 52944 1
71 . 1 . 1 39 39 LEU C C 13 177.606 0.000 . 1 . . . . . 39 L CO . 52944 1
72 . 1 . 1 39 39 LEU CA C 13 55.584 0.013 . 1 . . . . . 39 L CA . 52944 1
73 . 1 . 1 39 39 LEU CB C 13 42.643 0.019 . 1 . . . . . 39 L CB . 52944 1
74 . 1 . 1 39 39 LEU N N 15 122.223 0.000 . 1 . . . . . 39 L N . 52944 1
75 . 1 . 1 40 40 ASP H H 1 8.145 0.000 . 1 . . . . . 40 D HN . 52944 1
76 . 1 . 1 40 40 ASP C C 13 176.282 0.011 . 1 . . . . . 40 D CO . 52944 1
77 . 1 . 1 40 40 ASP CA C 13 54.662 0.002 . 1 . . . . . 40 D CA . 52944 1
78 . 1 . 1 40 40 ASP CB C 13 41.185 0.014 . 1 . . . . . 40 D CB . 52944 1
79 . 1 . 1 40 40 ASP N N 15 120.329 0.000 . 1 . . . . . 40 D N . 52944 1
80 . 1 . 1 41 41 ASN H H 1 8.020 0.000 . 1 . . . . . 41 N HN . 52944 1
81 . 1 . 1 41 41 ASN C C 13 175.540 0.001 . 1 . . . . . 41 N CO . 52944 1
82 . 1 . 1 41 41 ASN CA C 13 53.727 0.009 . 1 . . . . . 41 N CA . 52944 1
83 . 1 . 1 41 41 ASN CB C 13 39.169 0.014 . 1 . . . . . 41 N CB . 52944 1
84 . 1 . 1 41 41 ASN N N 15 118.961 0.000 . 1 . . . . . 41 N N . 52944 1
85 . 1 . 1 42 42 VAL H H 1 7.766 0.000 . 1 . . . . . 42 V HN . 52944 1
86 . 1 . 1 42 42 VAL C C 13 176.469 0.002 . 1 . . . . . 42 V CO . 52944 1
87 . 1 . 1 42 42 VAL CA C 13 63.059 0.015 . 1 . . . . . 42 V CA . 52944 1
88 . 1 . 1 42 42 VAL CB C 13 32.867 0.051 . 1 . . . . . 42 V CB . 52944 1
89 . 1 . 1 42 42 VAL N N 15 120.672 0.000 . 1 . . . . . 42 V N . 52944 1
90 . 1 . 1 43 43 ALA H H 1 8.142 0.000 . 1 . . . . . 43 A HN . 52944 1
91 . 1 . 1 43 43 ALA C C 13 178.363 0.019 . 1 . . . . . 43 A CO . 52944 1
92 . 1 . 1 43 43 ALA CA C 13 53.145 0.007 . 1 . . . . . 43 A CA . 52944 1
93 . 1 . 1 43 43 ALA CB C 13 19.440 0.042 . 1 . . . . . 43 A CB . 52944 1
94 . 1 . 1 43 43 ALA N N 15 127.491 0.000 . 1 . . . . . 43 A N . 52944 1
95 . 1 . 1 44 44 THR H H 1 7.769 0.000 . 1 . . . . . 44 T HN . 52944 1
96 . 1 . 1 44 44 THR C C 13 174.726 0.022 . 1 . . . . . 44 T CO . 52944 1
97 . 1 . 1 44 44 THR CA C 13 62.400 0.016 . 1 . . . . . 44 T CA . 52944 1
98 . 1 . 1 44 44 THR CB C 13 70.150 0.024 . 1 . . . . . 44 T CB . 52944 1
99 . 1 . 1 44 44 THR N N 15 113.578 0.000 . 1 . . . . . 44 T N . 52944 1
100 . 1 . 1 45 45 TYR H H 1 7.823 0.000 . 1 . . . . . 45 Y HN . 52944 1
101 . 1 . 1 45 45 TYR C C 13 175.951 0.000 . 1 . . . . . 45 Y CO . 52944 1
102 . 1 . 1 45 45 TYR CA C 13 58.209 0.026 . 1 . . . . . 45 Y CA . 52944 1
103 . 1 . 1 45 45 TYR CB C 13 39.197 0.108 . 1 . . . . . 45 Y CB . 52944 1
104 . 1 . 1 45 45 TYR N N 15 122.352 0.000 . 1 . . . . . 45 Y N . 52944 1
105 . 1 . 1 46 46 ALA H H 1 8.039 0.000 . 1 . . . . . 46 A HN . 52944 1
106 . 1 . 1 46 46 ALA C C 13 178.406 0.000 . 1 . . . . . 46 A CO . 52944 1
107 . 1 . 1 46 46 ALA CA C 13 53.190 0.000 . 1 . . . . . 46 A CA . 52944 1
108 . 1 . 1 46 46 ALA CB C 13 19.323 0.000 . 1 . . . . . 46 A CB . 52944 1
109 . 1 . 1 46 46 ALA N N 15 126.134 0.000 . 1 . . . . . 46 A N . 52944 1
110 . 1 . 1 47 47 GLY C C 13 174.467 0.000 . 1 . . . . . 47 G CO . 52944 1
111 . 1 . 1 47 47 GLY CA C 13 45.658 0.000 . 1 . . . . . 47 G CA . 52944 1
112 . 1 . 1 48 48 GLN H H 1 7.736 0.000 . 1 . . . . . 48 Q HN . 52944 1
113 . 1 . 1 48 48 GLN C C 13 176.115 0.000 . 1 . . . . . 48 Q CO . 52944 1
114 . 1 . 1 48 48 GLN CA C 13 56.540 0.000 . 1 . . . . . 48 Q CA . 52944 1
115 . 1 . 1 48 48 GLN CB C 13 29.553 0.000 . 1 . . . . . 48 Q CB . 52944 1
116 . 1 . 1 48 48 GLN N N 15 119.886 0.000 . 1 . . . . . 48 Q N . 52944 1
117 . 1 . 1 50 50 ASN C C 13 175.625 0.000 . 1 . . . . . 50 N CO . 52944 1
118 . 1 . 1 50 50 ASN CA C 13 53.602 0.000 . 1 . . . . . 50 N CA . 52944 1
119 . 1 . 1 50 50 ASN CB C 13 39.108 0.000 . 1 . . . . . 50 N CB . 52944 1
120 . 1 . 1 51 51 GLN H H 1 8.183 0.000 . 1 . . . . . 51 Q HN . 52944 1
121 . 1 . 1 51 51 GLN C C 13 176.584 0.010 . 1 . . . . . 51 Q CO . 52944 1
122 . 1 . 1 51 51 GLN CA C 13 57.072 0.037 . 1 . . . . . 51 Q CA . 52944 1
123 . 1 . 1 51 51 GLN CB C 13 29.431 0.066 . 1 . . . . . 51 Q CB . 52944 1
124 . 1 . 1 51 51 GLN N N 15 121.175 0.000 . 1 . . . . . 51 Q N . 52944 1
125 . 1 . 1 52 52 ASP H H 1 8.111 0.000 . 1 . . . . . 52 D HN . 52944 1
126 . 1 . 1 52 52 ASP C C 13 177.294 0.004 . 1 . . . . . 52 D CO . 52944 1
127 . 1 . 1 52 52 ASP CA C 13 55.600 0.009 . 1 . . . . . 52 D CA . 52944 1
128 . 1 . 1 52 52 ASP CB C 13 40.941 0.014 . 1 . . . . . 52 D CB . 52944 1
129 . 1 . 1 52 52 ASP N N 15 121.248 0.000 . 1 . . . . . 52 D N . 52944 1
130 . 1 . 1 53 53 TYR H H 1 7.794 0.000 . 1 . . . . . 53 Y HN . 52944 1
131 . 1 . 1 53 53 TYR C C 13 176.980 0.010 . 1 . . . . . 53 Y CO . 52944 1
132 . 1 . 1 53 53 TYR CA C 13 59.359 0.038 . 1 . . . . . 53 Y CA . 52944 1
133 . 1 . 1 53 53 TYR CB C 13 38.615 0.024 . 1 . . . . . 53 Y CB . 52944 1
134 . 1 . 1 53 53 TYR N N 15 121.153 0.000 . 1 . . . . . 53 Y N . 52944 1
135 . 1 . 1 54 54 LEU H H 1 7.749 0.000 . 1 . . . . . 54 L HN . 52944 1
136 . 1 . 1 54 54 LEU C C 13 178.516 0.020 . 1 . . . . . 54 L CO . 52944 1
137 . 1 . 1 54 54 LEU CA C 13 56.229 0.018 . 1 . . . . . 54 L CA . 52944 1
138 . 1 . 1 54 54 LEU CB C 13 42.212 0.029 . 1 . . . . . 54 L CB . 52944 1
139 . 1 . 1 54 54 LEU N N 15 122.125 0.000 . 1 . . . . . 54 L N . 52944 1
140 . 1 . 1 55 55 SER H H 1 7.901 0.000 . 1 . . . . . 55 S HN . 52944 1
141 . 1 . 1 55 55 SER C C 13 175.992 0.000 . 1 . . . . . 55 S CO . 52944 1
142 . 1 . 1 55 55 SER CA C 13 59.838 0.002 . 1 . . . . . 55 S CA . 52944 1
143 . 1 . 1 55 55 SER CB C 13 63.689 0.033 . 1 . . . . . 55 S CB . 52944 1
144 . 1 . 1 55 55 SER N N 15 115.905 0.000 . 1 . . . . . 55 S N . 52944 1
145 . 1 . 1 56 56 GLY H H 1 7.929 0.000 . 1 . . . . . 56 G HN . 52944 1
146 . 1 . 1 56 56 GLY C C 13 174.998 0.010 . 1 . . . . . 56 G CO . 52944 1
147 . 1 . 1 56 56 GLY CA C 13 46.002 0.007 . 1 . . . . . 56 G CA . 52944 1
148 . 1 . 1 56 56 GLY N N 15 110.708 0.000 . 1 . . . . . 56 G N . 52944 1
149 . 1 . 1 57 57 MET H H 1 7.694 0.000 . 1 . . . . . 57 M HN . 52944 1
150 . 1 . 1 57 57 MET C C 13 176.838 0.009 . 1 . . . . . 57 M CO . 52944 1
151 . 1 . 1 57 57 MET CA C 13 56.227 0.001 . 1 . . . . . 57 M CA . 52944 1
152 . 1 . 1 57 57 MET CB C 13 33.148 0.052 . 1 . . . . . 57 M CB . 52944 1
153 . 1 . 1 57 57 MET N N 15 120.199 0.000 . 1 . . . . . 57 M N . 52944 1
154 . 1 . 1 58 58 ALA H H 1 7.911 0.000 . 1 . . . . . 58 A HN . 52944 1
155 . 1 . 1 58 58 ALA C C 13 178.293 0.010 . 1 . . . . . 58 A CO . 52944 1
156 . 1 . 1 58 58 ALA CA C 13 53.302 0.000 . 1 . . . . . 58 A CA . 52944 1
157 . 1 . 1 58 58 ALA CB C 13 19.300 0.042 . 1 . . . . . 58 A CB . 52944 1
158 . 1 . 1 58 58 ALA N N 15 124.504 0.000 . 1 . . . . . 58 A N . 52944 1
159 . 1 . 1 59 59 ALA H H 1 7.885 0.000 . 1 . . . . . 59 A HN . 52944 1
160 . 1 . 1 59 59 ALA C C 13 178.159 0.014 . 1 . . . . . 59 A CO . 52944 1
161 . 1 . 1 59 59 ALA CA C 13 53.287 0.011 . 1 . . . . . 59 A CA . 52944 1
162 . 1 . 1 59 59 ALA CB C 13 19.351 0.000 . 1 . . . . . 59 A CB . 52944 1
163 . 1 . 1 59 59 ALA N N 15 122.647 0.000 . 1 . . . . . 59 A N . 52944 1
164 . 1 . 1 60 60 ASN H H 1 7.957 0.000 . 1 . . . . . 60 N HN . 52944 1
165 . 1 . 1 60 60 ASN C C 13 175.962 0.010 . 1 . . . . . 60 N CO . 52944 1
166 . 1 . 1 60 60 ASN CA C 13 53.737 0.020 . 1 . . . . . 60 N CA . 52944 1
167 . 1 . 1 60 60 ASN CB C 13 38.953 0.089 . 1 . . . . . 60 N CB . 52944 1
168 . 1 . 1 60 60 ASN N N 15 117.112 0.000 . 1 . . . . . 60 N N . 52944 1
169 . 1 . 1 61 61 MET H H 1 8.001 0.000 . 1 . . . . . 61 M HN . 52944 1
170 . 1 . 1 61 61 MET C C 13 176.964 0.002 . 1 . . . . . 61 M CO . 52944 1
171 . 1 . 1 61 61 MET CA C 13 55.989 0.017 . 1 . . . . . 61 M CA . 52944 1
172 . 1 . 1 61 61 MET CB C 13 32.882 0.047 . 1 . . . . . 61 M CB . 52944 1
173 . 1 . 1 61 61 MET N N 15 120.780 0.000 . 1 . . . . . 61 M N . 52944 1
174 . 1 . 1 62 62 SER H H 1 8.025 0.000 . 1 . . . . . 62 S HN . 52944 1
175 . 1 . 1 62 62 SER C C 13 175.483 0.024 . 1 . . . . . 62 S CO . 52944 1
176 . 1 . 1 62 62 SER CA C 13 59.320 0.000 . 1 . . . . . 62 S CA . 52944 1
177 . 1 . 1 62 62 SER CB C 13 64.088 0.018 . 1 . . . . . 62 S CB . 52944 1
178 . 1 . 1 62 62 SER N N 15 116.635 0.000 . 1 . . . . . 62 S N . 52944 1
179 . 1 . 1 63 63 GLY H H 1 8.125 0.000 . 1 . . . . . 63 G HN . 52944 1
180 . 1 . 1 63 63 GLY C C 13 174.591 0.013 . 1 . . . . . 63 G CO . 52944 1
181 . 1 . 1 63 63 GLY CA C 13 45.770 0.000 . 1 . . . . . 63 G CA . 52944 1
182 . 1 . 1 63 63 GLY N N 15 111.119 0.000 . 1 . . . . . 63 G N . 52944 1
183 . 1 . 1 64 64 THR H H 1 7.707 0.000 . 1 . . . . . 64 T HN . 52944 1
184 . 1 . 1 64 64 THR C C 13 174.758 0.010 . 1 . . . . . 64 T CO . 52944 1
185 . 1 . 1 64 64 THR CA C 13 62.155 0.020 . 1 . . . . . 64 T CA . 52944 1
186 . 1 . 1 64 64 THR CB C 13 70.267 0.066 . 1 . . . . . 64 T CB . 52944 1
187 . 1 . 1 64 64 THR N N 15 113.854 0.000 . 1 . . . . . 64 T N . 52944 1
188 . 1 . 1 65 65 PHE H H 1 8.123 0.000 . 1 . . . . . 65 F HN . 52944 1
189 . 1 . 1 65 65 PHE C C 13 176.651 0.004 . 1 . . . . . 65 F CO . 52944 1
190 . 1 . 1 65 65 PHE CA C 13 58.362 0.004 . 1 . . . . . 65 F CA . 52944 1
191 . 1 . 1 65 65 PHE CB C 13 39.722 0.005 . 1 . . . . . 65 F CB . 52944 1
192 . 1 . 1 65 65 PHE N N 15 123.054 0.000 . 1 . . . . . 65 F N . 52944 1
193 . 1 . 1 66 66 GLY H H 1 8.112 0.000 . 1 . . . . . 66 G HN . 52944 1
194 . 1 . 1 66 66 GLY C C 13 174.853 0.004 . 1 . . . . . 66 G CO . 52944 1
195 . 1 . 1 66 66 GLY CA C 13 45.773 0.011 . 1 . . . . . 66 G CA . 52944 1
196 . 1 . 1 66 66 GLY N N 15 111.700 0.000 . 1 . . . . . 66 G N . 52944 1
197 . 1 . 1 67 67 GLY H H 1 7.678 0.000 . 1 . . . . . 67 G HN . 52944 1
198 . 1 . 1 67 67 GLY C C 13 174.252 0.003 . 1 . . . . . 67 G CO . 52944 1
199 . 1 . 1 67 67 GLY CA C 13 45.532 0.013 . 1 . . . . . 67 G CA . 52944 1
200 . 1 . 1 67 67 GLY N N 15 108.884 0.000 . 1 . . . . . 67 G N . 52944 1
201 . 1 . 1 68 68 ALA H H 1 7.960 0.000 . 1 . . . . . 68 A HN . 52944 1
202 . 1 . 1 68 68 ALA C C 13 177.760 0.011 . 1 . . . . . 68 A CO . 52944 1
203 . 1 . 1 68 68 ALA CA C 13 52.935 0.027 . 1 . . . . . 68 A CA . 52944 1
204 . 1 . 1 68 68 ALA CB C 13 19.633 0.056 . 1 . . . . . 68 A CB . 52944 1
205 . 1 . 1 68 68 ALA N N 15 123.793 0.000 . 1 . . . . . 68 A N . 52944 1
206 . 1 . 1 69 69 ASN H H 1 8.172 0.000 . 1 . . . . . 69 N HN . 52944 1
207 . 1 . 1 69 69 ASN C C 13 175.041 0.014 . 1 . . . . . 69 N CO . 52944 1
208 . 1 . 1 69 69 ASN CA C 13 53.470 0.020 . 1 . . . . . 69 N CA . 52944 1
209 . 1 . 1 69 69 ASN CB C 13 38.990 0.080 . 1 . . . . . 69 N CB . 52944 1
210 . 1 . 1 69 69 ASN N N 15 117.378 0.000 . 1 . . . . . 69 N N . 52944 1
211 . 1 . 1 70 70 MET H H 1 7.867 0.000 . 1 . . . . . 70 M HN . 52944 1
212 . 1 . 1 70 70 MET C C 13 174.461 0.000 . 1 . . . . . 70 M CO . 52944 1
213 . 1 . 1 70 70 MET N N 15 121.659 0.000 . 1 . . . . . 70 M N . 52944 1
214 . 1 . 1 71 71 PRO C C 13 176.721 0.000 . 1 . . . . . 71 P CO . 52944 1
215 . 1 . 1 71 71 PRO CA C 13 63.535 0.000 . 1 . . . . . 71 P CA . 52944 1
216 . 1 . 1 71 71 PRO CB C 13 32.413 0.000 . 1 . . . . . 71 P CB . 52944 1
217 . 1 . 1 72 72 ASN H H 1 8.211 0.000 . 1 . . . . . 72 N HN . 52944 1
218 . 1 . 1 72 72 ASN C C 13 175.206 0.014 . 1 . . . . . 72 N CO . 52944 1
219 . 1 . 1 72 72 ASN CA C 13 53.498 0.048 . 1 . . . . . 72 N CA . 52944 1
220 . 1 . 1 72 72 ASN CB C 13 38.775 0.052 . 1 . . . . . 72 N CB . 52944 1
221 . 1 . 1 72 72 ASN N N 15 118.685 0.000 . 1 . . . . . 72 N N . 52944 1
222 . 1 . 1 73 73 LEU H H 1 7.856 0.000 . 1 . . . . . 73 L HN . 52944 1
223 . 1 . 1 73 73 LEU C C 13 176.669 0.000 . 1 . . . . . 73 L CO . 52944 1
224 . 1 . 1 73 73 LEU CA C 13 55.384 0.000 . 1 . . . . . 73 L CA . 52944 1
225 . 1 . 1 73 73 LEU CB C 13 42.737 0.000 . 1 . . . . . 73 L CB . 52944 1
226 . 1 . 1 73 73 LEU N N 15 122.854 0.000 . 1 . . . . . 73 L N . 52944 1
227 . 1 . 1 75 75 PRO C C 13 177.654 0.000 . 1 . . . . . 75 P CO . 52944 1
228 . 1 . 1 75 75 PRO CA C 13 63.933 0.000 . 1 . . . . . 75 P CA . 52944 1
229 . 1 . 1 75 75 PRO CB C 13 32.085 0.000 . 1 . . . . . 75 P CB . 52944 1
230 . 1 . 1 76 76 GLY H H 1 7.895 0.000 . 1 . . . . . 76 G HN . 52944 1
231 . 1 . 1 76 76 GLY C C 13 175.602 1.853 . 1 . . . . . 76 G CO . 52944 1
232 . 1 . 1 76 76 GLY CA C 13 48.786 3.616 . 1 . . . . . 76 G CA . 52944 1
233 . 1 . 1 76 76 GLY N N 15 109.785 0.000 . 1 . . . . . 76 G N . 52944 1
234 . 1 . 1 77 77 ALA H H 1 8.043 0.000 . 1 . . . . . 77 A HN . 52944 1
235 . 1 . 1 77 77 ALA C C 13 175.944 0.000 . 1 . . . . . 77 A CO . 52944 1
236 . 1 . 1 77 77 ALA CA C 13 50.658 0.000 . 1 . . . . . 77 A CA . 52944 1
237 . 1 . 1 77 77 ALA CB C 13 18.563 0.000 . 1 . . . . . 77 A CB . 52944 1
238 . 1 . 1 77 77 ALA N N 15 125.274 0.000 . 1 . . . . . 77 A N . 52944 1
239 . 1 . 1 78 78 PRO C C 13 178.084 0.000 . 1 . . . . . 78 P CO . 52944 1
240 . 1 . 1 78 78 PRO CA C 13 63.910 0.000 . 1 . . . . . 78 P CA . 52944 1
241 . 1 . 1 79 79 GLY H H 1 8.200 0.000 . 1 . . . . . 79 G HN . 52944 1
242 . 1 . 1 79 79 GLY C C 13 174.338 0.014 . 1 . . . . . 79 G CO . 52944 1
243 . 1 . 1 79 79 GLY CA C 13 45.605 0.011 . 1 . . . . . 79 G CA . 52944 1
244 . 1 . 1 79 79 GLY N N 15 110.133 0.000 . 1 . . . . . 79 G N . 52944 1
245 . 1 . 1 80 80 ALA H H 1 7.850 0.000 . 1 . . . . . 80 A HN . 52944 1
246 . 1 . 1 80 80 ALA C C 13 178.364 0.021 . 1 . . . . . 80 A CO . 52944 1
247 . 1 . 1 80 80 ALA CA C 13 52.959 0.013 . 1 . . . . . 80 A CA . 52944 1
248 . 1 . 1 80 80 ALA CB C 13 19.750 0.005 . 1 . . . . . 80 A CB . 52944 1
249 . 1 . 1 80 80 ALA N N 15 123.837 0.000 . 1 . . . . . 80 A N . 52944 1
250 . 1 . 1 81 81 GLY H H 1 8.056 0.000 . 1 . . . . . 81 G HN . 52944 1
251 . 1 . 1 81 81 GLY C C 13 173.538 0.095 . 1 . . . . . 81 G CO . 52944 1
252 . 1 . 1 81 81 GLY CA C 13 45.290 0.068 . 1 . . . . . 81 G CA . 52944 1
253 . 1 . 1 81 81 GLY N N 15 108.080 0.000 . 1 . . . . . 81 G N . 52944 1
254 . 1 . 1 82 82 TYR H H 1 7.409 0.000 . 1 . . . . . 82 Y HN . 52944 1
255 . 1 . 1 82 82 TYR C C 13 173.237 0.000 . 1 . . . . . 82 Y CO . 52944 1
256 . 1 . 1 82 82 TYR CA C 13 55.574 0.000 . 1 . . . . . 82 Y CA . 52944 1
257 . 1 . 1 82 82 TYR CB C 13 38.264 0.000 . 1 . . . . . 82 Y CB . 52944 1
258 . 1 . 1 82 82 TYR N N 15 120.487 0.000 . 1 . . . . . 82 Y N . 52944 1
259 . 1 . 1 87 87 PRO C C 13 178.255 0.000 . 1 . . . . . 87 P CO . 52944 1
260 . 1 . 1 88 88 GLY H H 1 8.353 0.000 . 1 . . . . . 88 G HN . 52944 1
261 . 1 . 1 88 88 GLY C C 13 175.090 0.000 . 1 . . . . . 88 G CO . 52944 1
262 . 1 . 1 88 88 GLY CA C 13 45.578 0.000 . 1 . . . . . 88 G CA . 52944 1
263 . 1 . 1 88 88 GLY N N 15 110.768 0.000 . 1 . . . . . 88 G N . 52944 1
264 . 1 . 1 89 89 GLY H H 1 7.946 0.000 . 1 . . . . . 89 G HN . 52944 1
265 . 1 . 1 89 89 GLY C C 13 174.108 0.004 . 1 . . . . . 89 G CO . 52944 1
266 . 1 . 1 89 89 GLY CA C 13 45.149 0.002 . 1 . . . . . 89 G CA . 52944 1
267 . 1 . 1 89 89 GLY N N 15 108.912 0.000 . 1 . . . . . 89 G N . 52944 1
268 . 1 . 1 90 90 PHE H H 1 8.041 0.000 . 1 . . . . . 90 F HN . 52944 1
269 . 1 . 1 90 90 PHE C C 13 176.895 0.014 . 1 . . . . . 90 F CO . 52944 1
270 . 1 . 1 90 90 PHE CA C 13 58.629 0.016 . 1 . . . . . 90 F CA . 52944 1
271 . 1 . 1 90 90 PHE CB C 13 39.933 0.009 . 1 . . . . . 90 F CB . 52944 1
272 . 1 . 1 90 90 PHE N N 15 119.709 0.000 . 1 . . . . . 90 F N . 52944 1
273 . 1 . 1 91 91 GLY H H 1 8.239 0.000 . 1 . . . . . 91 G HN . 52944 1
274 . 1 . 1 91 91 GLY C C 13 173.980 0.019 . 1 . . . . . 91 G CO . 52944 1
275 . 1 . 1 91 91 GLY CA C 13 45.446 0.020 . 1 . . . . . 91 G CA . 52944 1
276 . 1 . 1 91 91 GLY N N 15 111.239 0.000 . 1 . . . . . 91 G N . 52944 1
277 . 1 . 1 92 92 GLN H H 1 7.880 0.000 . 1 . . . . . 92 Q HN . 52944 1
278 . 1 . 1 92 92 GLN C C 13 174.002 0.000 . 1 . . . . . 92 Q CO . 52944 1
279 . 1 . 1 92 92 GLN CA C 13 53.771 0.000 . 1 . . . . . 92 Q CA . 52944 1
280 . 1 . 1 92 92 GLN CB C 13 29.243 0.000 . 1 . . . . . 92 Q CB . 52944 1
281 . 1 . 1 92 92 GLN N N 15 121.006 0.000 . 1 . . . . . 92 Q N . 52944 1
282 . 1 . 1 94 94 PRO C C 13 177.226 0.000 . 1 . . . . . 94 P CO . 52944 1
283 . 1 . 1 94 94 PRO CA C 13 63.206 0.000 . 1 . . . . . 94 P CA . 52944 1
284 . 1 . 1 94 94 PRO CB C 13 32.460 0.000 . 1 . . . . . 94 P CB . 52944 1
285 . 1 . 1 95 95 SER H H 1 8.096 0.000 . 1 . . . . . 95 S HN . 52944 1
286 . 1 . 1 95 95 SER C C 13 174.635 0.188 . 1 . . . . . 95 S CO . 52944 1
287 . 1 . 1 95 95 SER CA C 13 58.633 0.148 . 1 . . . . . 95 S CA . 52944 1
288 . 1 . 1 95 95 SER CB C 13 64.213 0.051 . 1 . . . . . 95 S CB . 52944 1
289 . 1 . 1 95 95 SER N N 15 116.193 0.000 . 1 . . . . . 95 S N . 52944 1
290 . 1 . 1 96 96 ALA H H 1 8.145 0.000 . 1 . . . . . 96 A HN . 52944 1
291 . 1 . 1 96 96 ALA C C 13 177.941 0.007 . 1 . . . . . 96 A CO . 52944 1
292 . 1 . 1 96 96 ALA CA C 13 52.919 0.008 . 1 . . . . . 96 A CA . 52944 1
293 . 1 . 1 96 96 ALA CB C 13 19.534 0.005 . 1 . . . . . 96 A CB . 52944 1
294 . 1 . 1 96 96 ALA N N 15 126.261 0.000 . 1 . . . . . 96 A N . 52944 1
295 . 1 . 1 97 97 GLN H H 1 8.021 0.000 . 1 . . . . . 97 Q HN . 52944 1
296 . 1 . 1 97 97 GLN C C 13 176.033 0.007 . 1 . . . . . 97 Q CO . 52944 1
297 . 1 . 1 97 97 GLN CA C 13 55.978 0.020 . 1 . . . . . 97 Q CA . 52944 1
298 . 1 . 1 97 97 GLN CB C 13 29.820 0.042 . 1 . . . . . 97 Q CB . 52944 1
299 . 1 . 1 97 97 GLN N N 15 119.603 0.000 . 1 . . . . . 97 Q N . 52944 1
300 . 1 . 1 98 98 GLN H H 1 8.124 0.000 . 1 . . . . . 98 Q HN . 52944 1
301 . 1 . 1 98 98 GLN C C 13 174.112 0.000 . 1 . . . . . 98 Q CO . 52944 1
302 . 1 . 1 98 98 GLN CA C 13 53.823 0.000 . 1 . . . . . 98 Q CA . 52944 1
303 . 1 . 1 98 98 GLN CB C 13 29.187 0.000 . 1 . . . . . 98 Q CB . 52944 1
304 . 1 . 1 98 98 GLN N N 15 123.448 0.000 . 1 . . . . . 98 Q N . 52944 1
305 . 1 . 1 102 102 PRO C C 13 175.965 0.000 . 1 . . . . . 102 P CO . 52944 1
306 . 1 . 1 102 102 PRO CB C 13 30.008 0.000 . 1 . . . . . 102 P CB . 52944 1
307 . 1 . 1 103 103 TYR H H 1 8.205 0.000 . 1 . . . . . 103 Y HN . 52944 1
308 . 1 . 1 103 103 TYR C C 13 177.267 0.010 . 1 . . . . . 103 Y CO . 52944 1
309 . 1 . 1 103 103 TYR CA C 13 61.776 0.004 . 1 . . . . . 103 Y CA . 52944 1
310 . 1 . 1 103 103 TYR CB C 13 38.758 0.139 . 1 . . . . . 103 Y CB . 52944 1
311 . 1 . 1 103 103 TYR N N 15 124.532 0.000 . 1 . . . . . 103 Y N . 52944 1
312 . 1 . 1 104 104 GLY H H 1 8.394 0.000 . 1 . . . . . 104 G HN . 52944 1
313 . 1 . 1 104 104 GLY C C 13 173.952 0.085 . 1 . . . . . 104 G CO . 52944 1
314 . 1 . 1 104 104 GLY CA C 13 45.510 0.026 . 1 . . . . . 104 G CA . 52944 1
315 . 1 . 1 104 104 GLY N N 15 114.831 0.000 . 1 . . . . . 104 G N . 52944 1
316 . 1 . 1 105 105 MET H H 1 7.679 0.000 . 1 . . . . . 105 M HN . 52944 1
317 . 1 . 1 105 105 MET C C 13 175.673 0.001 . 1 . . . . . 105 M CO . 52944 1
318 . 1 . 1 105 105 MET CA C 13 55.819 0.015 . 1 . . . . . 105 M CA . 52944 1
319 . 1 . 1 105 105 MET CB C 13 33.205 0.042 . 1 . . . . . 105 M CB . 52944 1
320 . 1 . 1 105 105 MET N N 15 119.935 0.000 . 1 . . . . . 105 M N . 52944 1
321 . 1 . 1 106 106 TYR H H 1 7.903 0.000 . 1 . . . . . 106 Y HN . 52944 1
322 . 1 . 1 106 106 TYR C C 13 173.483 0.000 . 1 . . . . . 106 Y CO . 52944 1
323 . 1 . 1 106 106 TYR CA C 13 55.839 0.000 . 1 . . . . . 106 Y CA . 52944 1
324 . 1 . 1 106 106 TYR CB C 13 38.367 0.000 . 1 . . . . . 106 Y CB . 52944 1
325 . 1 . 1 106 106 TYR N N 15 121.418 0.000 . 1 . . . . . 106 Y N . 52944 1
326 . 1 . 1 109 109 PRO C C 13 178.050 0.000 . 1 . . . . . 109 P CO . 52944 1
327 . 1 . 1 109 109 PRO CA C 13 63.844 0.000 . 1 . . . . . 109 P CA . 52944 1
328 . 1 . 1 109 109 PRO CB C 13 32.160 0.000 . 1 . . . . . 109 P CB . 52944 1
329 . 1 . 1 110 110 GLY H H 1 8.268 0.000 . 1 . . . . . 110 G HN . 52944 1
330 . 1 . 1 110 110 GLY C C 13 175.042 0.000 . 1 . . . . . 110 G CO . 52944 1
331 . 1 . 1 110 110 GLY CA C 13 45.543 0.007 . 1 . . . . . 110 G CA . 52944 1
332 . 1 . 1 110 110 GLY N N 15 110.141 0.000 . 1 . . . . . 110 G N . 52944 1
333 . 1 . 1 111 111 GLY H H 1 7.978 0.000 . 1 . . . . . 111 G HN . 52944 1
334 . 1 . 1 111 111 GLY C C 13 173.825 0.007 . 1 . . . . . 111 G CO . 52944 1
335 . 1 . 1 111 111 GLY CA C 13 45.161 0.014 . 1 . . . . . 111 G CA . 52944 1
336 . 1 . 1 111 111 GLY N N 15 108.805 0.000 . 1 . . . . . 111 G N . 52944 1
337 . 1 . 1 112 112 ASN H H 1 8.181 0.000 . 1 . . . . . 112 N HN . 52944 1
338 . 1 . 1 112 112 ASN C C 13 173.025 0.000 . 1 . . . . . 112 N CO . 52944 1
339 . 1 . 1 112 112 ASN CA C 13 51.743 0.000 . 1 . . . . . 112 N CA . 52944 1
340 . 1 . 1 112 112 ASN CB C 13 38.864 0.000 . 1 . . . . . 112 N CB . 52944 1
341 . 1 . 1 112 112 ASN N N 15 119.673 0.000 . 1 . . . . . 112 N N . 52944 1
342 . 1 . 1 175 175 GLY C C 13 174.741 0.000 . 1 . . . . . 175 G CO . 52944 1
343 . 1 . 1 175 175 GLY CA C 13 45.526 0.000 . 1 . . . . . 175 G CA . 52944 1
344 . 1 . 1 176 176 SER H H 1 8.010 0.000 . 1 . . . . . 176 S HN . 52944 1
345 . 1 . 1 176 176 SER C C 13 175.587 0.002 . 1 . . . . . 176 S CO . 52944 1
346 . 1 . 1 176 176 SER CA C 13 59.097 0.002 . 1 . . . . . 176 S CA . 52944 1
347 . 1 . 1 176 176 SER CB C 13 64.193 0.012 . 1 . . . . . 176 S CB . 52944 1
348 . 1 . 1 176 176 SER N N 15 115.964 0.000 . 1 . . . . . 176 S N . 52944 1
349 . 1 . 1 177 177 GLY H H 1 8.299 0.000 . 1 . . . . . 177 G HN . 52944 1
350 . 1 . 1 177 177 GLY C C 13 174.474 0.000 . 1 . . . . . 177 G CO . 52944 1
351 . 1 . 1 177 177 GLY CA C 13 45.597 0.000 . 1 . . . . . 177 G CA . 52944 1
352 . 1 . 1 177 177 GLY N N 15 111.517 0.000 . 1 . . . . . 177 G N . 52944 1
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