data_52325
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52325
_Entry.Title
;
An extended interaction site determines binding between AP180 and AP2 in clathrin mediated endocytosis
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2024-02-16
_Entry.Accession_date 2024-02-16
_Entry.Last_release_date 2024-02-16
_Entry.Original_release_date 2024-02-16
_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 1
_Entry.Generated_software_label $software_1
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details 'Monomeric clathrin assembly protein AP180, residues 540-740'
_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 Samuel Naudi-Fabra . . . 0000-0003-1080-649X 52325
2 Carlos Elena-Real . A. . 0000-0001-8244-5676 52325
3 Ida Vedel . M. . 0000-0002-3465-4796 52325
4 Maud Tengo . . . . 52325
5 Kathrin Motzny . . . . 52325
6 Pin-Lian Jiang . . . . 52325
7 Peter Schmieder . . . 0000-0001-9968-9327 52325
8 Fan Liu . . . 0000-0002-2358-549X 52325
9 Sigrid Milles . . . 0000-0001-9362-9606 52325
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'Milles group; Institute for Structural Biology, Grenoble, France.' . 52325
2 . 'Milles group; Leibniz Research Institute for Molecular Pharmacology, Berlin, Germany' . 52325
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52325
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 243 52325
'15N chemical shifts' 125 52325
'1H chemical shifts' 125 52325
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
2 . . 2024-07-18 2024-02-16 update BMRB 'update entry citation' 52325
1 . . 2024-06-25 2024-02-16 original author 'original release' 52325
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 52320 'AP2B2, Beta-2 subunit of the heterotetrameric AP2 adaptor' 52325
BMRB 52322 'Monomeric clathrin assembly protein AP180, residues 281-500' 52325
BMRB 52323 'Monomeric clathrin assembly protein AP180, residues 399-598' 52325
BMRB 52324 'Monomeric clathrin assembly protein AP180, residues 471-700' 52325
BMRB 52326 'Monomeric clathrin assembly protein AP180, residues 720-898' 52325
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52325
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 39003270
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
An extended interaction site determines binding between AP180 and AP2 in clathrin mediated endocytosis
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Nat. Commun.'
_Citation.Journal_name_full 'Nature communications'
_Citation.Journal_volume 15
_Citation.Journal_issue 1
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 2041-1723
_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 5884
_Citation.Page_last 5884
_Citation.Year 2024
_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 Samuel Naudi-Fabra . . . . 52325 1
2 Carlos Elena-Real . A. . . 52325 1
3 Ida Vedel . M. . . 52325 1
4 Maud Tengo . . . . 52325 1
5 Kathrin Motzny . . . . 52325 1
6 Pin-Lian Jiang . . . . 52325 1
7 Peter Schmieder . . . . 52325 1
8 Fan Liu . . . . 52325 1
9 Sigrid Milles . . . . 52325 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'Clathrin Mediated Endocytosis' 52325 1
'Intrinsically Disordered Proteins' 52325 1
'Nuclear Magnetic Resonance' 52325 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52325
_Assembly.ID 1
_Assembly.Name 'AP180 540-740'
_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 19439.29
_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 'AP180 540-740' 1 $entity_1 . . yes native no no . . . 52325 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52325
_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
;
AAATTTATTSAAAAATAAAP
PALDIFGDLFDSAPEVAAAS
KPDVAPSIDLFGTDAFSSPP
RGASPVPESSLTADLLSVDA
FAAPSPASTASPAKAESSGV
IDLFGDAFGSSASETQPAPQ
AVSSSSASADLLAGFGGSFM
APSTTPVTPAQNNLLQPNFE
AAFGTTPSTSSSSSFDPSGD
LLMPTMAPSGQPAPVSMVPP
S
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states yes
_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 201
_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 19439.29
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details 'The molecule does not exist in a specific conformational state, as it is an intrinsically disordered protein.'
_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 0 ALA . 52325 1
2 1 ALA . 52325 1
3 2 ALA . 52325 1
4 3 THR . 52325 1
5 4 THR . 52325 1
6 5 THR . 52325 1
7 6 ALA . 52325 1
8 7 THR . 52325 1
9 8 THR . 52325 1
10 9 SER . 52325 1
11 10 ALA . 52325 1
12 11 ALA . 52325 1
13 12 ALA . 52325 1
14 13 ALA . 52325 1
15 14 ALA . 52325 1
16 15 THR . 52325 1
17 16 ALA . 52325 1
18 17 ALA . 52325 1
19 18 ALA . 52325 1
20 19 PRO . 52325 1
21 20 PRO . 52325 1
22 21 ALA . 52325 1
23 22 LEU . 52325 1
24 23 ASP . 52325 1
25 24 ILE . 52325 1
26 25 PHE . 52325 1
27 26 GLY . 52325 1
28 27 ASP . 52325 1
29 28 LEU . 52325 1
30 29 PHE . 52325 1
31 30 ASP . 52325 1
32 31 SER . 52325 1
33 32 ALA . 52325 1
34 33 PRO . 52325 1
35 34 GLU . 52325 1
36 35 VAL . 52325 1
37 36 ALA . 52325 1
38 37 ALA . 52325 1
39 38 ALA . 52325 1
40 39 SER . 52325 1
41 40 LYS . 52325 1
42 41 PRO . 52325 1
43 42 ASP . 52325 1
44 43 VAL . 52325 1
45 44 ALA . 52325 1
46 45 PRO . 52325 1
47 46 SER . 52325 1
48 47 ILE . 52325 1
49 48 ASP . 52325 1
50 49 LEU . 52325 1
51 50 PHE . 52325 1
52 51 GLY . 52325 1
53 52 THR . 52325 1
54 53 ASP . 52325 1
55 54 ALA . 52325 1
56 55 PHE . 52325 1
57 56 SER . 52325 1
58 57 SER . 52325 1
59 58 PRO . 52325 1
60 59 PRO . 52325 1
61 60 ARG . 52325 1
62 61 GLY . 52325 1
63 62 ALA . 52325 1
64 63 SER . 52325 1
65 64 PRO . 52325 1
66 65 VAL . 52325 1
67 66 PRO . 52325 1
68 67 GLU . 52325 1
69 68 SER . 52325 1
70 69 SER . 52325 1
71 70 LEU . 52325 1
72 71 THR . 52325 1
73 72 ALA . 52325 1
74 73 ASP . 52325 1
75 74 LEU . 52325 1
76 75 LEU . 52325 1
77 76 SER . 52325 1
78 77 VAL . 52325 1
79 78 ASP . 52325 1
80 79 ALA . 52325 1
81 80 PHE . 52325 1
82 81 ALA . 52325 1
83 82 ALA . 52325 1
84 83 PRO . 52325 1
85 84 SER . 52325 1
86 85 PRO . 52325 1
87 86 ALA . 52325 1
88 87 SER . 52325 1
89 88 THR . 52325 1
90 89 ALA . 52325 1
91 90 SER . 52325 1
92 91 PRO . 52325 1
93 92 ALA . 52325 1
94 93 LYS . 52325 1
95 94 ALA . 52325 1
96 95 GLU . 52325 1
97 96 SER . 52325 1
98 97 SER . 52325 1
99 98 GLY . 52325 1
100 99 VAL . 52325 1
101 100 ILE . 52325 1
102 101 ASP . 52325 1
103 102 LEU . 52325 1
104 103 PHE . 52325 1
105 104 GLY . 52325 1
106 105 ASP . 52325 1
107 106 ALA . 52325 1
108 107 PHE . 52325 1
109 108 GLY . 52325 1
110 109 SER . 52325 1
111 110 SER . 52325 1
112 111 ALA . 52325 1
113 112 SER . 52325 1
114 113 GLU . 52325 1
115 114 THR . 52325 1
116 115 GLN . 52325 1
117 116 PRO . 52325 1
118 117 ALA . 52325 1
119 118 PRO . 52325 1
120 119 GLN . 52325 1
121 120 ALA . 52325 1
122 121 VAL . 52325 1
123 122 SER . 52325 1
124 123 SER . 52325 1
125 124 SER . 52325 1
126 125 SER . 52325 1
127 126 ALA . 52325 1
128 127 SER . 52325 1
129 128 ALA . 52325 1
130 129 ASP . 52325 1
131 130 LEU . 52325 1
132 131 LEU . 52325 1
133 132 ALA . 52325 1
134 133 GLY . 52325 1
135 134 PHE . 52325 1
136 135 GLY . 52325 1
137 136 GLY . 52325 1
138 137 SER . 52325 1
139 138 PHE . 52325 1
140 139 MET . 52325 1
141 140 ALA . 52325 1
142 141 PRO . 52325 1
143 142 SER . 52325 1
144 143 THR . 52325 1
145 144 THR . 52325 1
146 145 PRO . 52325 1
147 146 VAL . 52325 1
148 147 THR . 52325 1
149 148 PRO . 52325 1
150 149 ALA . 52325 1
151 150 GLN . 52325 1
152 151 ASN . 52325 1
153 152 ASN . 52325 1
154 153 LEU . 52325 1
155 154 LEU . 52325 1
156 155 GLN . 52325 1
157 156 PRO . 52325 1
158 157 ASN . 52325 1
159 158 PHE . 52325 1
160 159 GLU . 52325 1
161 160 ALA . 52325 1
162 161 ALA . 52325 1
163 162 PHE . 52325 1
164 163 GLY . 52325 1
165 164 THR . 52325 1
166 165 THR . 52325 1
167 166 PRO . 52325 1
168 167 SER . 52325 1
169 168 THR . 52325 1
170 169 SER . 52325 1
171 170 SER . 52325 1
172 171 SER . 52325 1
173 172 SER . 52325 1
174 173 SER . 52325 1
175 174 PHE . 52325 1
176 175 ASP . 52325 1
177 176 PRO . 52325 1
178 177 SER . 52325 1
179 178 GLY . 52325 1
180 179 ASP . 52325 1
181 180 LEU . 52325 1
182 181 LEU . 52325 1
183 182 MET . 52325 1
184 183 PRO . 52325 1
185 184 THR . 52325 1
186 185 MET . 52325 1
187 186 ALA . 52325 1
188 187 PRO . 52325 1
189 188 SER . 52325 1
190 189 GLY . 52325 1
191 190 GLN . 52325 1
192 191 PRO . 52325 1
193 192 ALA . 52325 1
194 193 PRO . 52325 1
195 194 VAL . 52325 1
196 195 SER . 52325 1
197 196 MET . 52325 1
198 197 VAL . 52325 1
199 198 PRO . 52325 1
200 199 PRO . 52325 1
201 200 SER . 52325 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 52325 1
. ALA 2 2 52325 1
. ALA 3 3 52325 1
. THR 4 4 52325 1
. THR 5 5 52325 1
. THR 6 6 52325 1
. ALA 7 7 52325 1
. THR 8 8 52325 1
. THR 9 9 52325 1
. SER 10 10 52325 1
. ALA 11 11 52325 1
. ALA 12 12 52325 1
. ALA 13 13 52325 1
. ALA 14 14 52325 1
. ALA 15 15 52325 1
. THR 16 16 52325 1
. ALA 17 17 52325 1
. ALA 18 18 52325 1
. ALA 19 19 52325 1
. PRO 20 20 52325 1
. PRO 21 21 52325 1
. ALA 22 22 52325 1
. LEU 23 23 52325 1
. ASP 24 24 52325 1
. ILE 25 25 52325 1
. PHE 26 26 52325 1
. GLY 27 27 52325 1
. ASP 28 28 52325 1
. LEU 29 29 52325 1
. PHE 30 30 52325 1
. ASP 31 31 52325 1
. SER 32 32 52325 1
. ALA 33 33 52325 1
. PRO 34 34 52325 1
. GLU 35 35 52325 1
. VAL 36 36 52325 1
. ALA 37 37 52325 1
. ALA 38 38 52325 1
. ALA 39 39 52325 1
. SER 40 40 52325 1
. LYS 41 41 52325 1
. PRO 42 42 52325 1
. ASP 43 43 52325 1
. VAL 44 44 52325 1
. ALA 45 45 52325 1
. PRO 46 46 52325 1
. SER 47 47 52325 1
. ILE 48 48 52325 1
. ASP 49 49 52325 1
. LEU 50 50 52325 1
. PHE 51 51 52325 1
. GLY 52 52 52325 1
. THR 53 53 52325 1
. ASP 54 54 52325 1
. ALA 55 55 52325 1
. PHE 56 56 52325 1
. SER 57 57 52325 1
. SER 58 58 52325 1
. PRO 59 59 52325 1
. PRO 60 60 52325 1
. ARG 61 61 52325 1
. GLY 62 62 52325 1
. ALA 63 63 52325 1
. SER 64 64 52325 1
. PRO 65 65 52325 1
. VAL 66 66 52325 1
. PRO 67 67 52325 1
. GLU 68 68 52325 1
. SER 69 69 52325 1
. SER 70 70 52325 1
. LEU 71 71 52325 1
. THR 72 72 52325 1
. ALA 73 73 52325 1
. ASP 74 74 52325 1
. LEU 75 75 52325 1
. LEU 76 76 52325 1
. SER 77 77 52325 1
. VAL 78 78 52325 1
. ASP 79 79 52325 1
. ALA 80 80 52325 1
. PHE 81 81 52325 1
. ALA 82 82 52325 1
. ALA 83 83 52325 1
. PRO 84 84 52325 1
. SER 85 85 52325 1
. PRO 86 86 52325 1
. ALA 87 87 52325 1
. SER 88 88 52325 1
. THR 89 89 52325 1
. ALA 90 90 52325 1
. SER 91 91 52325 1
. PRO 92 92 52325 1
. ALA 93 93 52325 1
. LYS 94 94 52325 1
. ALA 95 95 52325 1
. GLU 96 96 52325 1
. SER 97 97 52325 1
. SER 98 98 52325 1
. GLY 99 99 52325 1
. VAL 100 100 52325 1
. ILE 101 101 52325 1
. ASP 102 102 52325 1
. LEU 103 103 52325 1
. PHE 104 104 52325 1
. GLY 105 105 52325 1
. ASP 106 106 52325 1
. ALA 107 107 52325 1
. PHE 108 108 52325 1
. GLY 109 109 52325 1
. SER 110 110 52325 1
. SER 111 111 52325 1
. ALA 112 112 52325 1
. SER 113 113 52325 1
. GLU 114 114 52325 1
. THR 115 115 52325 1
. GLN 116 116 52325 1
. PRO 117 117 52325 1
. ALA 118 118 52325 1
. PRO 119 119 52325 1
. GLN 120 120 52325 1
. ALA 121 121 52325 1
. VAL 122 122 52325 1
. SER 123 123 52325 1
. SER 124 124 52325 1
. SER 125 125 52325 1
. SER 126 126 52325 1
. ALA 127 127 52325 1
. SER 128 128 52325 1
. ALA 129 129 52325 1
. ASP 130 130 52325 1
. LEU 131 131 52325 1
. LEU 132 132 52325 1
. ALA 133 133 52325 1
. GLY 134 134 52325 1
. PHE 135 135 52325 1
. GLY 136 136 52325 1
. GLY 137 137 52325 1
. SER 138 138 52325 1
. PHE 139 139 52325 1
. MET 140 140 52325 1
. ALA 141 141 52325 1
. PRO 142 142 52325 1
. SER 143 143 52325 1
. THR 144 144 52325 1
. THR 145 145 52325 1
. PRO 146 146 52325 1
. VAL 147 147 52325 1
. THR 148 148 52325 1
. PRO 149 149 52325 1
. ALA 150 150 52325 1
. GLN 151 151 52325 1
. ASN 152 152 52325 1
. ASN 153 153 52325 1
. LEU 154 154 52325 1
. LEU 155 155 52325 1
. GLN 156 156 52325 1
. PRO 157 157 52325 1
. ASN 158 158 52325 1
. PHE 159 159 52325 1
. GLU 160 160 52325 1
. ALA 161 161 52325 1
. ALA 162 162 52325 1
. PHE 163 163 52325 1
. GLY 164 164 52325 1
. THR 165 165 52325 1
. THR 166 166 52325 1
. PRO 167 167 52325 1
. SER 168 168 52325 1
. THR 169 169 52325 1
. SER 170 170 52325 1
. SER 171 171 52325 1
. SER 172 172 52325 1
. SER 173 173 52325 1
. SER 174 174 52325 1
. PHE 175 175 52325 1
. ASP 176 176 52325 1
. PRO 177 177 52325 1
. SER 178 178 52325 1
. GLY 179 179 52325 1
. ASP 180 180 52325 1
. LEU 181 181 52325 1
. LEU 182 182 52325 1
. MET 183 183 52325 1
. PRO 184 184 52325 1
. THR 185 185 52325 1
. MET 186 186 52325 1
. ALA 187 187 52325 1
. PRO 188 188 52325 1
. SER 189 189 52325 1
. GLY 190 190 52325 1
. GLN 191 191 52325 1
. PRO 192 192 52325 1
. ALA 193 193 52325 1
. PRO 194 194 52325 1
. VAL 195 195 52325 1
. SER 196 196 52325 1
. MET 197 197 52325 1
. VAL 198 198 52325 1
. PRO 199 199 52325 1
. PRO 200 200 52325 1
. SER 201 201 52325 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 52325
_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 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 52325 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 52325
_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 'Rosetta TM (DE3)' . . plasmid . . pET-28 . . . 52325 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 52325
_Sample.ID 1
_Sample.Name 'AP180 540-740'
_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 'Monomeric Clathrin Assembly Protein AP180, residues 540-740' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 52325 1
2 Na-phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 52325 1
3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52325 1
4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 52325 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 52325
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'pH6, 25C'
_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' 0.375 . M 52325 1
pH 6 . pH 52325 1
pressure 1 . atm 52325 1
temperature 298.15 . K 52325 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52325
_Software.ID 1
_Software.Type .
_Software.Name MARS
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52325 1
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 52325
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker 600'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
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 52325
_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 HSQC' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 1
2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 1
3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 1
4 '3D iHNCA' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 1
5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52325 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 52325
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name '1H-15N-13C AP180 540-740'
_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 4.7 internal indirect 0.25144953 . . . . . 52325 1
H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52325 1
N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 52325 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 52325
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'AP180 540-740'
_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 HSQC' . . . 52325 1
2 '3D HNCO' . . . 52325 1
3 '3D HN(CA)CO' . . . 52325 1
4 '3D iHNCA' . . . 52325 1
5 '3D HN(CO)CA' . . . 52325 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 . . 52325 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 2 2 ALA H H 1 8.282 . . . . . . . . 1 A HN . 52325 1
2 . 1 . 1 2 2 ALA C C 13 177.860 . . . . . . . . 1 A CO . 52325 1
3 . 1 . 1 2 2 ALA CA C 13 52.863 . . . . . . . . 1 A CA . 52325 1
4 . 1 . 1 2 2 ALA N N 15 125.780 . . . . . . . . 1 A N . 52325 1
5 . 1 . 1 3 3 ALA H H 1 8.187 . . . . . . . . 2 A HN . 52325 1
6 . 1 . 1 3 3 ALA C C 13 177.909 . . . . . . . . 2 A CO . 52325 1
7 . 1 . 1 3 3 ALA CA C 13 52.693 . . . . . . . . 2 A CA . 52325 1
8 . 1 . 1 3 3 ALA N N 15 122.902 . . . . . . . . 2 A N . 52325 1
9 . 1 . 1 4 4 THR H H 1 8.291 . . . . . . . . 3 T HN . 52325 1
10 . 1 . 1 4 4 THR C C 13 174.729 . . . . . . . . 3 T CO . 52325 1
11 . 1 . 1 4 4 THR CA C 13 61.716 . . . . . . . . 3 T CA . 52325 1
12 . 1 . 1 4 4 THR N N 15 114.061 . . . . . . . . 3 T N . 52325 1
13 . 1 . 1 5 5 THR H H 1 8.253 . . . . . . . . 4 T HN . 52325 1
14 . 1 . 1 5 5 THR C C 13 174.605 . . . . . . . . 4 T CO . 52325 1
15 . 1 . 1 5 5 THR CA C 13 61.647 . . . . . . . . 4 T CA . 52325 1
16 . 1 . 1 5 5 THR N N 15 116.508 . . . . . . . . 4 T N . 52325 1
17 . 1 . 1 6 6 THR H H 1 8.217 . . . . . . . . 5 T HN . 52325 1
18 . 1 . 1 6 6 THR C C 13 174.267 . . . . . . . . 5 T CO . 52325 1
19 . 1 . 1 6 6 THR CA C 13 61.903 . . . . . . . . 5 T CA . 52325 1
20 . 1 . 1 6 6 THR N N 15 116.767 . . . . . . . . 5 T N . 52325 1
21 . 1 . 1 7 7 ALA H H 1 8.391 . . . . . . . . 6 A HN . 52325 1
22 . 1 . 1 7 7 ALA C C 13 177.966 . . . . . . . . 6 A CO . 52325 1
23 . 1 . 1 7 7 ALA CA C 13 52.731 . . . . . . . . 6 A CA . 52325 1
24 . 1 . 1 7 7 ALA N N 15 126.813 . . . . . . . . 6 A N . 52325 1
25 . 1 . 1 8 8 THR H H 1 8.210 . . . . . . . . 7 T HN . 52325 1
26 . 1 . 1 8 8 THR C C 13 174.923 . . . . . . . . 7 T CO . 52325 1
27 . 1 . 1 8 8 THR CA C 13 61.928 . . . . . . . . 7 T CA . 52325 1
28 . 1 . 1 8 8 THR N N 15 113.655 . . . . . . . . 7 T N . 52325 1
29 . 1 . 1 9 9 THR H H 1 8.145 . . . . . . . . 8 T HN . 52325 1
30 . 1 . 1 9 9 THR C C 13 174.689 . . . . . . . . 8 T CO . 52325 1
31 . 1 . 1 9 9 THR CA C 13 61.876 . . . . . . . . 8 T CA . 52325 1
32 . 1 . 1 9 9 THR N N 15 116.144 . . . . . . . . 8 T N . 52325 1
33 . 1 . 1 10 10 SER H H 1 8.360 . . . . . . . . 9 S HN . 52325 1
34 . 1 . 1 10 10 SER C C 13 174.568 . . . . . . . . 9 S CO . 52325 1
35 . 1 . 1 10 10 SER CA C 13 58.613 . . . . . . . . 9 S CA . 52325 1
36 . 1 . 1 10 10 SER N N 15 118.310 . . . . . . . . 9 S N . 52325 1
37 . 1 . 1 23 23 LEU H H 1 8.032 . . . . . . . . 22 L HN . 52325 1
38 . 1 . 1 23 23 LEU CA C 13 55.436 . . . . . . . . 22 L CA . 52325 1
39 . 1 . 1 23 23 LEU N N 15 115.256 . . . . . . . . 22 L N . 52325 1
40 . 1 . 1 24 24 ASP H H 1 8.107 . . . . . . . . 23 D HN . 52325 1
41 . 1 . 1 24 24 ASP C C 13 177.232 . . . . . . . . 23 D CO . 52325 1
42 . 1 . 1 24 24 ASP CA C 13 55.404 . . . . . . . . 23 D CA . 52325 1
43 . 1 . 1 24 24 ASP N N 15 121.563 . . . . . . . . 23 D N . 52325 1
44 . 1 . 1 25 25 ILE H H 1 8.189 . . . . . . . . 24 I HN . 52325 1
45 . 1 . 1 25 25 ILE C C 13 176.385 . . . . . . . . 24 I CO . 52325 1
46 . 1 . 1 25 25 ILE CA C 13 59.972 . . . . . . . . 24 I CA . 52325 1
47 . 1 . 1 25 25 ILE N N 15 119.399 . . . . . . . . 24 I N . 52325 1
48 . 1 . 1 31 31 ASP H H 1 8.205 . . . . . . . . 30 D HN . 52325 1
49 . 1 . 1 31 31 ASP C C 13 175.894 . . . . . . . . 30 D CO . 52325 1
50 . 1 . 1 31 31 ASP CA C 13 54.284 . . . . . . . . 30 D CA . 52325 1
51 . 1 . 1 31 31 ASP N N 15 121.665 . . . . . . . . 30 D N . 52325 1
52 . 1 . 1 32 32 SER H H 1 8.077 . . . . . . . . 31 S HN . 52325 1
53 . 1 . 1 32 32 SER C C 13 173.811 . . . . . . . . 31 S CO . 52325 1
54 . 1 . 1 32 32 SER CA C 13 58.089 . . . . . . . . 31 S CA . 52325 1
55 . 1 . 1 32 32 SER N N 15 115.969 . . . . . . . . 31 S N . 52325 1
56 . 1 . 1 33 33 ALA H H 1 8.300 . . . . . . . . 32 A HN . 52325 1
57 . 1 . 1 33 33 ALA C C 13 175.506 . . . . . . . . 32 A CO . 52325 1
58 . 1 . 1 33 33 ALA CA C 13 50.897 . . . . . . . . 32 A CA . 52325 1
59 . 1 . 1 33 33 ALA N N 15 127.044 . . . . . . . . 32 A N . 52325 1
60 . 1 . 1 35 35 GLU H H 1 8.549 . . . . . . . . 34 E HN . 52325 1
61 . 1 . 1 35 35 GLU C C 13 176.749 . . . . . . . . 34 E CO . 52325 1
62 . 1 . 1 35 35 GLU CA C 13 56.887 . . . . . . . . 34 E CA . 52325 1
63 . 1 . 1 35 35 GLU N N 15 120.811 . . . . . . . . 34 E N . 52325 1
64 . 1 . 1 36 36 VAL H H 1 8.092 . . . . . . . . 35 V HN . 52325 1
65 . 1 . 1 36 36 VAL C C 13 176.046 . . . . . . . . 35 V CO . 52325 1
66 . 1 . 1 36 36 VAL CA C 13 62.375 . . . . . . . . 35 V CA . 52325 1
67 . 1 . 1 36 36 VAL N N 15 121.562 . . . . . . . . 35 V N . 52325 1
68 . 1 . 1 37 37 ALA H H 1 8.320 . . . . . . . . 36 A HN . 52325 1
69 . 1 . 1 37 37 ALA C C 13 177.621 . . . . . . . . 36 A CO . 52325 1
70 . 1 . 1 37 37 ALA CA C 13 52.633 . . . . . . . . 36 A CA . 52325 1
71 . 1 . 1 37 37 ALA N N 15 127.662 . . . . . . . . 36 A N . 52325 1
72 . 1 . 1 38 38 ALA H H 1 8.217 . . . . . . . . 37 A HN . 52325 1
73 . 1 . 1 38 38 ALA C C 13 177.635 . . . . . . . . 37 A CO . 52325 1
74 . 1 . 1 38 38 ALA CA C 13 52.658 . . . . . . . . 37 A CA . 52325 1
75 . 1 . 1 38 38 ALA N N 15 123.388 . . . . . . . . 37 A N . 52325 1
76 . 1 . 1 39 39 ALA H H 1 8.173 . . . . . . . . 38 A HN . 52325 1
77 . 1 . 1 39 39 ALA C C 13 177.874 . . . . . . . . 38 A CO . 52325 1
78 . 1 . 1 39 39 ALA CA C 13 52.665 . . . . . . . . 38 A CA . 52325 1
79 . 1 . 1 39 39 ALA N N 15 122.900 . . . . . . . . 38 A N . 52325 1
80 . 1 . 1 40 40 SER H H 1 8.181 . . . . . . . . 39 S HN . 52325 1
81 . 1 . 1 40 40 SER C C 13 174.760 . . . . . . . . 39 S CO . 52325 1
82 . 1 . 1 40 40 SER CA C 13 58.367 . . . . . . . . 39 S CA . 52325 1
83 . 1 . 1 40 40 SER N N 15 114.772 . . . . . . . . 39 S N . 52325 1
84 . 1 . 1 41 41 LYS H H 1 8.269 . . . . . . . . 40 K HN . 52325 1
85 . 1 . 1 41 41 LYS C C 13 174.608 . . . . . . . . 40 K CO . 52325 1
86 . 1 . 1 41 41 LYS CA C 13 54.319 . . . . . . . . 40 K CA . 52325 1
87 . 1 . 1 41 41 LYS N N 15 124.193 . . . . . . . . 40 K N . 52325 1
88 . 1 . 1 43 43 ASP H H 1 8.450 . . . . . . . . 42 D HN . 52325 1
89 . 1 . 1 43 43 ASP C C 13 175.991 . . . . . . . . 42 D CO . 52325 1
90 . 1 . 1 43 43 ASP CA C 13 54.456 . . . . . . . . 42 D CA . 52325 1
91 . 1 . 1 43 43 ASP N N 15 120.756 . . . . . . . . 42 D N . 52325 1
92 . 1 . 1 44 44 VAL H H 1 7.952 . . . . . . . . 43 V HN . 52325 1
93 . 1 . 1 44 44 VAL C C 13 175.402 . . . . . . . . 43 V CO . 52325 1
94 . 1 . 1 44 44 VAL CA C 13 61.670 . . . . . . . . 43 V CA . 52325 1
95 . 1 . 1 44 44 VAL N N 15 119.720 . . . . . . . . 43 V N . 52325 1
96 . 1 . 1 50 50 LEU H H 1 8.215 . . . . . . . . 49 L HN . 52325 1
97 . 1 . 1 50 50 LEU C C 13 177.668 . . . . . . . . 49 L CO . 52325 1
98 . 1 . 1 50 50 LEU N N 15 123.699 . . . . . . . . 49 L N . 52325 1
99 . 1 . 1 51 51 PHE H H 1 8.165 . . . . . . . . 50 F HN . 52325 1
100 . 1 . 1 51 51 PHE C C 13 176.527 . . . . . . . . 50 F CO . 52325 1
101 . 1 . 1 51 51 PHE CA C 13 58.024 . . . . . . . . 50 F CA . 52325 1
102 . 1 . 1 51 51 PHE N N 15 118.564 . . . . . . . . 50 F N . 52325 1
103 . 1 . 1 52 52 GLY H H 1 8.221 . . . . . . . . 51 G HN . 52325 1
104 . 1 . 1 52 52 GLY C C 13 174.499 . . . . . . . . 51 G CO . 52325 1
105 . 1 . 1 52 52 GLY CA C 13 45.333 . . . . . . . . 51 G CA . 52325 1
106 . 1 . 1 52 52 GLY N N 15 110.057 . . . . . . . . 51 G N . 52325 1
107 . 1 . 1 53 53 THR H H 1 8.078 . . . . . . . . 52 T HN . 52325 1
108 . 1 . 1 53 53 THR C C 13 174.580 . . . . . . . . 52 T CO . 52325 1
109 . 1 . 1 53 53 THR CA C 13 61.997 . . . . . . . . 52 T CA . 52325 1
110 . 1 . 1 53 53 THR N N 15 113.071 . . . . . . . . 52 T N . 52325 1
111 . 1 . 1 54 54 ASP H H 1 8.425 . . . . . . . . 53 D HN . 52325 1
112 . 1 . 1 54 54 ASP C C 13 176.174 . . . . . . . . 53 D CO . 52325 1
113 . 1 . 1 54 54 ASP CA C 13 54.508 . . . . . . . . 53 D CA . 52325 1
114 . 1 . 1 54 54 ASP N N 15 122.351 . . . . . . . . 53 D N . 52325 1
115 . 1 . 1 55 55 ALA H H 1 8.128 . . . . . . . . 54 A HN . 52325 1
116 . 1 . 1 55 55 ALA C C 13 177.491 . . . . . . . . 54 A CO . 52325 1
117 . 1 . 1 55 55 ALA CA C 13 53.000 . . . . . . . . 54 A CA . 52325 1
118 . 1 . 1 55 55 ALA N N 15 124.404 . . . . . . . . 54 A N . 52325 1
119 . 1 . 1 56 56 PHE H H 1 8.081 . . . . . . . . 55 F HN . 52325 1
120 . 1 . 1 56 56 PHE C C 13 175.817 . . . . . . . . 55 F CO . 52325 1
121 . 1 . 1 56 56 PHE CA C 13 57.818 . . . . . . . . 55 F CA . 52325 1
122 . 1 . 1 56 56 PHE N N 15 118.028 . . . . . . . . 55 F N . 52325 1
123 . 1 . 1 57 57 SER H H 1 8.023 . . . . . . . . 56 S HN . 52325 1
124 . 1 . 1 57 57 SER C C 13 173.918 . . . . . . . . 56 S CO . 52325 1
125 . 1 . 1 57 57 SER CA C 13 58.238 . . . . . . . . 56 S CA . 52325 1
126 . 1 . 1 57 57 SER N N 15 116.715 . . . . . . . . 56 S N . 52325 1
127 . 1 . 1 58 58 SER H H 1 8.186 . . . . . . . . 57 S HN . 52325 1
128 . 1 . 1 58 58 SER C C 13 177.902 . . . . . . . . 57 S CO . 52325 1
129 . 1 . 1 58 58 SER CA C 13 56.539 . . . . . . . . 57 S CA . 52325 1
130 . 1 . 1 58 58 SER N N 15 118.720 . . . . . . . . 57 S N . 52325 1
131 . 1 . 1 61 61 ARG H H 1 8.477 . . . . . . . . 60 R HN . 52325 1
132 . 1 . 1 61 61 ARG C C 13 176.966 . . . . . . . . 60 R CO . 52325 1
133 . 1 . 1 61 61 ARG CA C 13 56.208 . . . . . . . . 60 R CA . 52325 1
134 . 1 . 1 61 61 ARG N N 15 121.594 . . . . . . . . 60 R N . 52325 1
135 . 1 . 1 62 62 GLY H H 1 8.416 . . . . . . . . 61 G HN . 52325 1
136 . 1 . 1 62 62 GLY C C 13 173.583 . . . . . . . . 61 G CO . 52325 1
137 . 1 . 1 62 62 GLY CA C 13 45.237 . . . . . . . . 61 G CA . 52325 1
138 . 1 . 1 62 62 GLY N N 15 110.291 . . . . . . . . 61 G N . 52325 1
139 . 1 . 1 63 63 ALA H H 1 8.181 . . . . . . . . 62 A HN . 52325 1
140 . 1 . 1 63 63 ALA C C 13 177.629 . . . . . . . . 62 A CO . 52325 1
141 . 1 . 1 63 63 ALA CA C 13 51.935 . . . . . . . . 62 A CA . 52325 1
142 . 1 . 1 63 63 ALA N N 15 123.716 . . . . . . . . 62 A N . 52325 1
143 . 1 . 1 64 64 SER H H 1 8.177 . . . . . . . . 63 S HN . 52325 1
144 . 1 . 1 64 64 SER C C 13 174.007 . . . . . . . . 63 S CO . 52325 1
145 . 1 . 1 64 64 SER CA C 13 58.269 . . . . . . . . 63 S CA . 52325 1
146 . 1 . 1 64 64 SER N N 15 115.147 . . . . . . . . 63 S N . 52325 1
147 . 1 . 1 68 68 GLU H H 1 8.622 . . . . . . . . 67 E HN . 52325 1
148 . 1 . 1 68 68 GLU C C 13 176.864 . . . . . . . . 67 E CO . 52325 1
149 . 1 . 1 68 68 GLU CA C 13 57.185 . . . . . . . . 67 E CA . 52325 1
150 . 1 . 1 68 68 GLU N N 15 121.794 . . . . . . . . 67 E N . 52325 1
151 . 1 . 1 69 69 SER H H 1 8.346 . . . . . . . . 68 S HN . 52325 1
152 . 1 . 1 69 69 SER C C 13 174.713 . . . . . . . . 68 S CO . 52325 1
153 . 1 . 1 69 69 SER CA C 13 58.441 . . . . . . . . 68 S CA . 52325 1
154 . 1 . 1 69 69 SER N N 15 116.332 . . . . . . . . 68 S N . 52325 1
155 . 1 . 1 70 70 SER H H 1 8.371 . . . . . . . . 69 S HN . 52325 1
156 . 1 . 1 70 70 SER C C 13 174.641 . . . . . . . . 69 S CO . 52325 1
157 . 1 . 1 70 70 SER CA C 13 58.570 . . . . . . . . 69 S CA . 52325 1
158 . 1 . 1 70 70 SER N N 15 117.762 . . . . . . . . 69 S N . 52325 1
159 . 1 . 1 71 71 LEU H H 1 8.198 . . . . . . . . 70 L HN . 52325 1
160 . 1 . 1 71 71 LEU C C 13 177.635 . . . . . . . . 70 L CO . 52325 1
161 . 1 . 1 71 71 LEU CA C 13 55.590 . . . . . . . . 70 L CA . 52325 1
162 . 1 . 1 71 71 LEU N N 15 123.710 . . . . . . . . 70 L N . 52325 1
163 . 1 . 1 72 72 THR H H 1 7.951 . . . . . . . . 71 T HN . 52325 1
164 . 1 . 1 72 72 THR C C 13 174.521 . . . . . . . . 71 T CO . 52325 1
165 . 1 . 1 72 72 THR CA C 13 61.783 . . . . . . . . 71 T CA . 52325 1
166 . 1 . 1 72 72 THR N N 15 113.808 . . . . . . . . 71 T N . 52325 1
167 . 1 . 1 73 73 ALA H H 1 8.321 . . . . . . . . 72 A HN . 52325 1
168 . 1 . 1 73 73 ALA C C 13 177.429 . . . . . . . . 72 A CO . 52325 1
169 . 1 . 1 73 73 ALA CA C 13 52.494 . . . . . . . . 72 A CA . 52325 1
170 . 1 . 1 73 73 ALA N N 15 124.334 . . . . . . . . 72 A N . 52325 1
171 . 1 . 1 74 74 ASP H H 1 8.077 . . . . . . . . 73 D HN . 52325 1
172 . 1 . 1 74 74 ASP C C 13 175.700 . . . . . . . . 73 D CO . 52325 1
173 . 1 . 1 74 74 ASP N N 15 117.834 . . . . . . . . 73 D N . 52325 1
174 . 1 . 1 75 75 LEU H H 1 7.880 . . . . . . . . 74 L HN . 52325 1
175 . 1 . 1 75 75 LEU N N 15 116.586 . . . . . . . . 74 L N . 52325 1
176 . 1 . 1 76 76 LEU H H 1 8.071 . . . . . . . . 75 L HN . 52325 1
177 . 1 . 1 76 76 LEU CA C 13 55.103 . . . . . . . . 75 L CA . 52325 1
178 . 1 . 1 76 76 LEU N N 15 117.087 . . . . . . . . 75 L N . 52325 1
179 . 1 . 1 77 77 SER H H 1 8.099 . . . . . . . . 76 S HN . 52325 1
180 . 1 . 1 77 77 SER C C 13 174.692 . . . . . . . . 76 S CO . 52325 1
181 . 1 . 1 77 77 SER CA C 13 58.205 . . . . . . . . 76 S CA . 52325 1
182 . 1 . 1 77 77 SER N N 15 116.275 . . . . . . . . 76 S N . 52325 1
183 . 1 . 1 78 78 VAL H H 1 8.061 . . . . . . . . 77 V HN . 52325 1
184 . 1 . 1 78 78 VAL C C 13 175.932 . . . . . . . . 77 V CO . 52325 1
185 . 1 . 1 78 78 VAL CA C 13 62.419 . . . . . . . . 77 V CA . 52325 1
186 . 1 . 1 78 78 VAL N N 15 121.163 . . . . . . . . 77 V N . 52325 1
187 . 1 . 1 79 79 ASP H H 1 8.273 . . . . . . . . 78 D HN . 52325 1
188 . 1 . 1 79 79 ASP C C 13 176.094 . . . . . . . . 78 D CO . 52325 1
189 . 1 . 1 79 79 ASP CA C 13 54.330 . . . . . . . . 78 D CA . 52325 1
190 . 1 . 1 79 79 ASP N N 15 123.226 . . . . . . . . 78 D N . 52325 1
191 . 1 . 1 80 80 ALA H H 1 8.116 . . . . . . . . 79 A HN . 52325 1
192 . 1 . 1 80 80 ALA C C 13 177.458 . . . . . . . . 79 A CO . 52325 1
193 . 1 . 1 80 80 ALA CA C 13 52.880 . . . . . . . . 79 A CA . 52325 1
194 . 1 . 1 80 80 ALA N N 15 124.392 . . . . . . . . 79 A N . 52325 1
195 . 1 . 1 81 81 PHE H H 1 8.092 . . . . . . . . 80 F HN . 52325 1
196 . 1 . 1 81 81 PHE C C 13 175.298 . . . . . . . . 80 F CO . 52325 1
197 . 1 . 1 81 81 PHE CA C 13 57.603 . . . . . . . . 80 F CA . 52325 1
198 . 1 . 1 81 81 PHE N N 15 118.225 . . . . . . . . 80 F N . 52325 1
199 . 1 . 1 82 82 ALA H H 1 7.864 . . . . . . . . 81 A HN . 52325 1
200 . 1 . 1 82 82 ALA C C 13 176.567 . . . . . . . . 81 A CO . 52325 1
201 . 1 . 1 82 82 ALA CA C 13 52.035 . . . . . . . . 81 A CA . 52325 1
202 . 1 . 1 82 82 ALA N N 15 125.254 . . . . . . . . 81 A N . 52325 1
203 . 1 . 1 83 83 ALA H H 1 8.166 . . . . . . . . 82 A HN . 52325 1
204 . 1 . 1 83 83 ALA C C 13 175.421 . . . . . . . . 82 A CO . 52325 1
205 . 1 . 1 83 83 ALA CA C 13 50.393 . . . . . . . . 82 A CA . 52325 1
206 . 1 . 1 83 83 ALA N N 15 125.053 . . . . . . . . 82 A N . 52325 1
207 . 1 . 1 88 88 SER H H 1 8.280 . . . . . . . . 87 S HN . 52325 1
208 . 1 . 1 88 88 SER C C 13 174.928 . . . . . . . . 87 S CO . 52325 1
209 . 1 . 1 88 88 SER CA C 13 58.376 . . . . . . . . 87 S CA . 52325 1
210 . 1 . 1 88 88 SER N N 15 114.927 . . . . . . . . 87 S N . 52325 1
211 . 1 . 1 89 89 THR H H 1 8.116 . . . . . . . . 88 T HN . 52325 1
212 . 1 . 1 89 89 THR C C 13 174.128 . . . . . . . . 88 T CO . 52325 1
213 . 1 . 1 89 89 THR CA C 13 61.699 . . . . . . . . 88 T CA . 52325 1
214 . 1 . 1 89 89 THR N N 15 115.617 . . . . . . . . 88 T N . 52325 1
215 . 1 . 1 90 90 ALA H H 1 8.212 . . . . . . . . 89 A HN . 52325 1
216 . 1 . 1 90 90 ALA C C 13 177.396 . . . . . . . . 89 A CO . 52325 1
217 . 1 . 1 90 90 ALA CA C 13 52.359 . . . . . . . . 89 A CA . 52325 1
218 . 1 . 1 90 90 ALA N N 15 126.374 . . . . . . . . 89 A N . 52325 1
219 . 1 . 1 95 95 ALA H H 1 8.353 . . . . . . . . 94 A HN . 52325 1
220 . 1 . 1 95 95 ALA C C 13 177.787 . . . . . . . . 94 A CO . 52325 1
221 . 1 . 1 95 95 ALA CA C 13 52.859 . . . . . . . . 94 A CA . 52325 1
222 . 1 . 1 95 95 ALA N N 15 125.724 . . . . . . . . 94 A N . 52325 1
223 . 1 . 1 96 96 GLU H H 1 8.468 . . . . . . . . 95 E HN . 52325 1
224 . 1 . 1 96 96 GLU C C 13 176.659 . . . . . . . . 95 E CO . 52325 1
225 . 1 . 1 96 96 GLU CA C 13 56.670 . . . . . . . . 95 E CA . 52325 1
226 . 1 . 1 96 96 GLU N N 15 120.519 . . . . . . . . 95 E N . 52325 1
227 . 1 . 1 97 97 SER H H 1 8.356 . . . . . . . . 96 S HN . 52325 1
228 . 1 . 1 97 97 SER C C 13 174.614 . . . . . . . . 96 S CO . 52325 1
229 . 1 . 1 97 97 SER CA C 13 58.168 . . . . . . . . 96 S CA . 52325 1
230 . 1 . 1 97 97 SER N N 15 116.264 . . . . . . . . 96 S N . 52325 1
231 . 1 . 1 98 98 SER H H 1 8.408 . . . . . . . . 97 S HN . 52325 1
232 . 1 . 1 98 98 SER C C 13 174.976 . . . . . . . . 97 S CO . 52325 1
233 . 1 . 1 98 98 SER CA C 13 58.720 . . . . . . . . 97 S CA . 52325 1
234 . 1 . 1 98 98 SER N N 15 117.946 . . . . . . . . 97 S N . 52325 1
235 . 1 . 1 99 99 GLY H H 1 8.410 . . . . . . . . 98 G HN . 52325 1
236 . 1 . 1 99 99 GLY C C 13 173.821 . . . . . . . . 98 G CO . 52325 1
237 . 1 . 1 99 99 GLY CA C 13 45.228 . . . . . . . . 98 G CA . 52325 1
238 . 1 . 1 99 99 GLY N N 15 110.793 . . . . . . . . 98 G N . 52325 1
239 . 1 . 1 100 100 VAL H H 1 7.968 . . . . . . . . 99 V HN . 52325 1
240 . 1 . 1 100 100 VAL C C 13 176.109 . . . . . . . . 99 V CO . 52325 1
241 . 1 . 1 100 100 VAL CA C 13 62.378 . . . . . . . . 99 V CA . 52325 1
242 . 1 . 1 100 100 VAL N N 15 119.670 . . . . . . . . 99 V N . 52325 1
243 . 1 . 1 101 101 ILE H H 1 8.182 . . . . . . . . 100 I HN . 52325 1
244 . 1 . 1 101 101 ILE C C 13 175.603 . . . . . . . . 100 I CO . 52325 1
245 . 1 . 1 101 101 ILE CA C 13 60.938 . . . . . . . . 100 I CA . 52325 1
246 . 1 . 1 101 101 ILE N N 15 124.632 . . . . . . . . 100 I N . 52325 1
247 . 1 . 1 102 102 ASP H H 1 8.348 . . . . . . . . 101 D HN . 52325 1
248 . 1 . 1 102 102 ASP C C 13 176.006 . . . . . . . . 101 D CO . 52325 1
249 . 1 . 1 102 102 ASP CA C 13 54.061 . . . . . . . . 101 D CA . 52325 1
250 . 1 . 1 102 102 ASP N N 15 124.830 . . . . . . . . 101 D N . 52325 1
251 . 1 . 1 103 103 LEU H H 1 8.099 . . . . . . . . 102 L HN . 52325 1
252 . 1 . 1 103 103 LEU C C 13 177.201 . . . . . . . . 102 L CO . 52325 1
253 . 1 . 1 103 103 LEU CA C 13 55.199 . . . . . . . . 102 L CA . 52325 1
254 . 1 . 1 103 103 LEU N N 15 121.648 . . . . . . . . 102 L N . 52325 1
255 . 1 . 1 104 104 PHE H H 1 8.214 . . . . . . . . 103 F HN . 52325 1
256 . 1 . 1 104 104 PHE C C 13 176.411 . . . . . . . . 103 F CO . 52325 1
257 . 1 . 1 104 104 PHE CA C 13 57.938 . . . . . . . . 103 F CA . 52325 1
258 . 1 . 1 104 104 PHE N N 15 119.075 . . . . . . . . 103 F N . 52325 1
259 . 1 . 1 105 105 GLY H H 1 8.172 . . . . . . . . 104 G HN . 52325 1
260 . 1 . 1 105 105 GLY C C 13 173.998 . . . . . . . . 104 G CO . 52325 1
261 . 1 . 1 105 105 GLY CA C 13 45.605 . . . . . . . . 104 G CA . 52325 1
262 . 1 . 1 105 105 GLY N N 15 109.707 . . . . . . . . 104 G N . 52325 1
263 . 1 . 1 106 106 ASP H H 1 8.169 . . . . . . . . 105 D HN . 52325 1
264 . 1 . 1 106 106 ASP C C 13 176.298 . . . . . . . . 105 D CO . 52325 1
265 . 1 . 1 106 106 ASP CA C 13 54.555 . . . . . . . . 105 D CA . 52325 1
266 . 1 . 1 106 106 ASP N N 15 120.525 . . . . . . . . 105 D N . 52325 1
267 . 1 . 1 107 107 ALA H H 1 8.098 . . . . . . . . 106 A HN . 52325 1
268 . 1 . 1 107 107 ALA C C 13 177.587 . . . . . . . . 106 A CO . 52325 1
269 . 1 . 1 107 107 ALA CA C 13 53.073 . . . . . . . . 106 A CA . 52325 1
270 . 1 . 1 107 107 ALA N N 15 123.554 . . . . . . . . 106 A N . 52325 1
271 . 1 . 1 108 108 PHE H H 1 8.099 . . . . . . . . 107 F HN . 52325 1
272 . 1 . 1 108 108 PHE C C 13 176.418 . . . . . . . . 107 F CO . 52325 1
273 . 1 . 1 108 108 PHE CA C 13 58.097 . . . . . . . . 107 F CA . 52325 1
274 . 1 . 1 108 108 PHE N N 15 119.004 . . . . . . . . 107 F N . 52325 1
275 . 1 . 1 109 109 GLY H H 1 8.208 . . . . . . . . 108 G HN . 52325 1
276 . 1 . 1 109 109 GLY C C 13 174.293 . . . . . . . . 108 G CO . 52325 1
277 . 1 . 1 109 109 GLY CA C 13 45.658 . . . . . . . . 108 G CA . 52325 1
278 . 1 . 1 109 109 GLY N N 15 110.151 . . . . . . . . 108 G N . 52325 1
279 . 1 . 1 110 110 SER H H 1 8.199 . . . . . . . . 109 S HN . 52325 1
280 . 1 . 1 110 110 SER C C 13 174.750 . . . . . . . . 109 S CO . 52325 1
281 . 1 . 1 110 110 SER CA C 13 58.271 . . . . . . . . 109 S CA . 52325 1
282 . 1 . 1 110 110 SER N N 15 115.546 . . . . . . . . 109 S N . 52325 1
283 . 1 . 1 111 111 SER H H 1 8.424 . . . . . . . . 110 S HN . 52325 1
284 . 1 . 1 111 111 SER C C 13 174.473 . . . . . . . . 110 S CO . 52325 1
285 . 1 . 1 111 111 SER CA C 13 58.376 . . . . . . . . 110 S CA . 52325 1
286 . 1 . 1 111 111 SER N N 15 117.933 . . . . . . . . 110 S N . 52325 1
287 . 1 . 1 112 112 ALA H H 1 8.327 . . . . . . . . 111 A HN . 52325 1
288 . 1 . 1 112 112 ALA C C 13 177.825 . . . . . . . . 111 A CO . 52325 1
289 . 1 . 1 112 112 ALA CA C 13 52.945 . . . . . . . . 111 A CA . 52325 1
290 . 1 . 1 112 112 ALA N N 15 125.943 . . . . . . . . 111 A N . 52325 1
291 . 1 . 1 113 113 SER H H 1 8.216 . . . . . . . . 112 S HN . 52325 1
292 . 1 . 1 113 113 SER C C 13 174.674 . . . . . . . . 112 S CO . 52325 1
293 . 1 . 1 113 113 SER CA C 13 58.562 . . . . . . . . 112 S CA . 52325 1
294 . 1 . 1 113 113 SER N N 15 114.687 . . . . . . . . 112 S N . 52325 1
295 . 1 . 1 114 114 GLU H H 1 8.378 . . . . . . . . 113 E HN . 52325 1
296 . 1 . 1 114 114 GLU C C 13 176.612 . . . . . . . . 113 E CO . 52325 1
297 . 1 . 1 114 114 GLU CA C 13 56.733 . . . . . . . . 113 E CA . 52325 1
298 . 1 . 1 114 114 GLU N N 15 122.546 . . . . . . . . 113 E N . 52325 1
299 . 1 . 1 115 115 THR H H 1 8.152 . . . . . . . . 114 T HN . 52325 1
300 . 1 . 1 115 115 THR C C 13 174.211 . . . . . . . . 114 T CO . 52325 1
301 . 1 . 1 115 115 THR CA C 13 61.945 . . . . . . . . 114 T CA . 52325 1
302 . 1 . 1 115 115 THR N N 15 115.064 . . . . . . . . 114 T N . 52325 1
303 . 1 . 1 116 116 GLN H H 1 8.357 . . . . . . . . 115 Q HN . 52325 1
304 . 1 . 1 116 116 GLN C C 13 173.669 . . . . . . . . 115 Q CO . 52325 1
305 . 1 . 1 116 116 GLN CA C 13 53.943 . . . . . . . . 115 Q CA . 52325 1
306 . 1 . 1 116 116 GLN N N 15 124.043 . . . . . . . . 115 Q N . 52325 1
307 . 1 . 1 120 120 GLN H H 1 8.430 . . . . . . . . 119 Q HN . 52325 1
308 . 1 . 1 120 120 GLN C C 13 175.710 . . . . . . . . 119 Q CO . 52325 1
309 . 1 . 1 120 120 GLN CA C 13 55.720 . . . . . . . . 119 Q CA . 52325 1
310 . 1 . 1 120 120 GLN N N 15 120.375 . . . . . . . . 119 Q N . 52325 1
311 . 1 . 1 121 121 ALA H H 1 8.340 . . . . . . . . 120 A HN . 52325 1
312 . 1 . 1 121 121 ALA C C 13 177.714 . . . . . . . . 120 A CO . 52325 1
313 . 1 . 1 121 121 ALA CA C 13 52.451 . . . . . . . . 120 A CA . 52325 1
314 . 1 . 1 121 121 ALA N N 15 125.724 . . . . . . . . 120 A N . 52325 1
315 . 1 . 1 122 122 VAL H H 1 8.149 . . . . . . . . 121 V HN . 52325 1
316 . 1 . 1 122 122 VAL C C 13 176.288 . . . . . . . . 121 V CO . 52325 1
317 . 1 . 1 122 122 VAL CA C 13 62.183 . . . . . . . . 121 V CA . 52325 1
318 . 1 . 1 122 122 VAL N N 15 119.451 . . . . . . . . 121 V N . 52325 1
319 . 1 . 1 123 123 SER H H 1 8.422 . . . . . . . . 122 S HN . 52325 1
320 . 1 . 1 123 123 SER C C 13 174.700 . . . . . . . . 122 S CO . 52325 1
321 . 1 . 1 123 123 SER CA C 13 58.076 . . . . . . . . 122 S CA . 52325 1
322 . 1 . 1 123 123 SER N N 15 119.460 . . . . . . . . 122 S N . 52325 1
323 . 1 . 1 124 124 SER H H 1 8.392 . . . . . . . . 123 S HN . 52325 1
324 . 1 . 1 124 124 SER C C 13 174.950 . . . . . . . . 123 S CO . 52325 1
325 . 1 . 1 124 124 SER CA C 13 58.398 . . . . . . . . 123 S CA . 52325 1
326 . 1 . 1 124 124 SER N N 15 118.162 . . . . . . . . 123 S N . 52325 1
327 . 1 . 1 125 125 SER H H 1 8.209 . . . . . . . . 124 S HN . 52325 1
328 . 1 . 1 125 125 SER C C 13 174.812 . . . . . . . . 124 S CO . 52325 1
329 . 1 . 1 125 125 SER CA C 13 58.054 . . . . . . . . 124 S CA . 52325 1
330 . 1 . 1 125 125 SER N N 15 115.668 . . . . . . . . 124 S N . 52325 1
331 . 1 . 1 126 126 SER H H 1 8.359 . . . . . . . . 125 S HN . 52325 1
332 . 1 . 1 126 126 SER C C 13 174.588 . . . . . . . . 125 S CO . 52325 1
333 . 1 . 1 126 126 SER CA C 13 58.628 . . . . . . . . 125 S CA . 52325 1
334 . 1 . 1 126 126 SER N N 15 117.896 . . . . . . . . 125 S N . 52325 1
335 . 1 . 1 127 127 ALA H H 1 8.357 . . . . . . . . 126 A HN . 52325 1
336 . 1 . 1 127 127 ALA C C 13 177.892 . . . . . . . . 126 A CO . 52325 1
337 . 1 . 1 127 127 ALA CA C 13 53.031 . . . . . . . . 126 A CA . 52325 1
338 . 1 . 1 127 127 ALA N N 15 126.306 . . . . . . . . 126 A N . 52325 1
339 . 1 . 1 129 129 ALA H H 1 8.285 . . . . . . . . 128 A HN . 52325 1
340 . 1 . 1 129 129 ALA C C 13 177.991 . . . . . . . . 128 A CO . 52325 1
341 . 1 . 1 129 129 ALA CA C 13 53.245 . . . . . . . . 128 A CA . 52325 1
342 . 1 . 1 129 129 ALA N N 15 125.920 . . . . . . . . 128 A N . 52325 1
343 . 1 . 1 130 130 ASP H H 1 8.203 . . . . . . . . 129 D HN . 52325 1
344 . 1 . 1 130 130 ASP C C 13 176.810 . . . . . . . . 129 D CO . 52325 1
345 . 1 . 1 130 130 ASP CA C 13 54.854 . . . . . . . . 129 D CA . 52325 1
346 . 1 . 1 130 130 ASP N N 15 118.727 . . . . . . . . 129 D N . 52325 1
347 . 1 . 1 131 131 LEU H H 1 7.996 . . . . . . . . 130 L HN . 52325 1
348 . 1 . 1 131 131 LEU C C 13 177.946 . . . . . . . . 130 L CO . 52325 1
349 . 1 . 1 131 131 LEU CA C 13 56.061 . . . . . . . . 130 L CA . 52325 1
350 . 1 . 1 131 131 LEU N N 15 122.139 . . . . . . . . 130 L N . 52325 1
351 . 1 . 1 132 132 LEU H H 1 8.059 . . . . . . . . 131 L HN . 52325 1
352 . 1 . 1 132 132 LEU C C 13 177.510 . . . . . . . . 131 L CO . 52325 1
353 . 1 . 1 132 132 LEU CA C 13 55.457 . . . . . . . . 131 L CA . 52325 1
354 . 1 . 1 132 132 LEU N N 15 120.928 . . . . . . . . 131 L N . 52325 1
355 . 1 . 1 133 133 ALA H H 1 7.957 . . . . . . . . 132 A HN . 52325 1
356 . 1 . 1 133 133 ALA C C 13 178.288 . . . . . . . . 132 A CO . 52325 1
357 . 1 . 1 133 133 ALA CA C 13 53.077 . . . . . . . . 132 A CA . 52325 1
358 . 1 . 1 133 133 ALA N N 15 123.533 . . . . . . . . 132 A N . 52325 1
359 . 1 . 1 134 134 GLY C C 13 174.207 . . . . . . . . 133 G CO . 52325 1
360 . 1 . 1 135 135 PHE H H 1 8.072 . . . . . . . . 134 F HN . 52325 1
361 . 1 . 1 135 135 PHE C C 13 176.451 . . . . . . . . 134 F CO . 52325 1
362 . 1 . 1 135 135 PHE CA C 13 58.005 . . . . . . . . 134 F CA . 52325 1
363 . 1 . 1 135 135 PHE N N 15 119.972 . . . . . . . . 134 F N . 52325 1
364 . 1 . 1 136 136 GLY H H 1 8.398 . . . . . . . . 135 G HN . 52325 1
365 . 1 . 1 136 136 GLY C C 13 174.615 . . . . . . . . 135 G CO . 52325 1
366 . 1 . 1 136 136 GLY CA C 13 45.529 . . . . . . . . 135 G CA . 52325 1
367 . 1 . 1 136 136 GLY N N 15 110.784 . . . . . . . . 135 G N . 52325 1
368 . 1 . 1 137 137 GLY H H 1 7.959 . . . . . . . . 136 G HN . 52325 1
369 . 1 . 1 137 137 GLY C C 13 174.131 . . . . . . . . 136 G CO . 52325 1
370 . 1 . 1 137 137 GLY CA C 13 45.368 . . . . . . . . 136 G CA . 52325 1
371 . 1 . 1 137 137 GLY N N 15 108.282 . . . . . . . . 136 G N . 52325 1
372 . 1 . 1 138 138 SER H H 1 8.142 . . . . . . . . 137 S HN . 52325 1
373 . 1 . 1 138 138 SER C C 13 174.124 . . . . . . . . 137 S CO . 52325 1
374 . 1 . 1 138 138 SER CA C 13 58.262 . . . . . . . . 137 S CA . 52325 1
375 . 1 . 1 138 138 SER N N 15 115.528 . . . . . . . . 137 S N . 52325 1
376 . 1 . 1 139 139 PHE H H 1 8.216 . . . . . . . . 138 F HN . 52325 1
377 . 1 . 1 139 139 PHE C C 13 175.240 . . . . . . . . 138 F CO . 52325 1
378 . 1 . 1 139 139 PHE N N 15 122.286 . . . . . . . . 138 F N . 52325 1
379 . 1 . 1 140 140 MET H H 1 8.090 . . . . . . . . 139 M HN . 52325 1
380 . 1 . 1 140 140 MET C C 13 174.876 . . . . . . . . 139 M CO . 52325 1
381 . 1 . 1 140 140 MET CA C 13 54.862 . . . . . . . . 139 M CA . 52325 1
382 . 1 . 1 140 140 MET N N 15 122.365 . . . . . . . . 139 M N . 52325 1
383 . 1 . 1 141 141 ALA H H 1 8.209 . . . . . . . . 140 A HN . 52325 1
384 . 1 . 1 141 141 ALA C C 13 175.423 . . . . . . . . 140 A CO . 52325 1
385 . 1 . 1 141 141 ALA CA C 13 50.559 . . . . . . . . 140 A CA . 52325 1
386 . 1 . 1 141 141 ALA N N 15 126.906 . . . . . . . . 140 A N . 52325 1
387 . 1 . 1 151 151 GLN H H 1 8.311 . . . . . . . . 150 Q HN . 52325 1
388 . 1 . 1 151 151 GLN C C 13 175.799 . . . . . . . . 150 Q CO . 52325 1
389 . 1 . 1 151 151 GLN CA C 13 55.908 . . . . . . . . 150 Q CA . 52325 1
390 . 1 . 1 151 151 GLN N N 15 119.181 . . . . . . . . 150 Q N . 52325 1
391 . 1 . 1 152 152 ASN H H 1 8.389 . . . . . . . . 151 N HN . 52325 1
392 . 1 . 1 152 152 ASN C C 13 174.986 . . . . . . . . 151 N CO . 52325 1
393 . 1 . 1 152 152 ASN CA C 13 53.481 . . . . . . . . 151 N CA . 52325 1
394 . 1 . 1 152 152 ASN N N 15 119.567 . . . . . . . . 151 N N . 52325 1
395 . 1 . 1 153 153 ASN H H 1 8.403 . . . . . . . . 152 N HN . 52325 1
396 . 1 . 1 153 153 ASN C C 13 175.023 . . . . . . . . 152 N CO . 52325 1
397 . 1 . 1 153 153 ASN CA C 13 53.479 . . . . . . . . 152 N CA . 52325 1
398 . 1 . 1 153 153 ASN N N 15 119.159 . . . . . . . . 152 N N . 52325 1
399 . 1 . 1 161 161 ALA H H 1 8.099 . . . . . . . . 160 A HN . 52325 1
400 . 1 . 1 161 161 ALA C C 13 177.470 . . . . . . . . 160 A CO . 52325 1
401 . 1 . 1 161 161 ALA CA C 13 52.620 . . . . . . . . 160 A CA . 52325 1
402 . 1 . 1 161 161 ALA N N 15 124.683 . . . . . . . . 160 A N . 52325 1
403 . 1 . 1 162 162 ALA H H 1 8.092 . . . . . . . . 161 A HN . 52325 1
404 . 1 . 1 162 162 ALA C C 13 177.551 . . . . . . . . 161 A CO . 52325 1
405 . 1 . 1 162 162 ALA CA C 13 52.429 . . . . . . . . 161 A CA . 52325 1
406 . 1 . 1 162 162 ALA N N 15 122.460 . . . . . . . . 161 A N . 52325 1
407 . 1 . 1 163 163 PHE H H 1 8.114 . . . . . . . . 162 F HN . 52325 1
408 . 1 . 1 163 163 PHE C C 13 176.376 . . . . . . . . 162 F CO . 52325 1
409 . 1 . 1 163 163 PHE CA C 13 57.957 . . . . . . . . 162 F CA . 52325 1
410 . 1 . 1 163 163 PHE N N 15 119.015 . . . . . . . . 162 F N . 52325 1
411 . 1 . 1 164 164 GLY H H 1 8.241 . . . . . . . . 163 G HN . 52325 1
412 . 1 . 1 164 164 GLY C C 13 174.155 . . . . . . . . 163 G CO . 52325 1
413 . 1 . 1 164 164 GLY CA C 13 45.357 . . . . . . . . 163 G CA . 52325 1
414 . 1 . 1 164 164 GLY N N 15 110.488 . . . . . . . . 163 G N . 52325 1
415 . 1 . 1 165 165 THR H H 1 7.999 . . . . . . . . 164 T HN . 52325 1
416 . 1 . 1 165 165 THR C C 13 174.428 . . . . . . . . 164 T CO . 52325 1
417 . 1 . 1 165 165 THR CA C 13 61.983 . . . . . . . . 164 T CA . 52325 1
418 . 1 . 1 165 165 THR N N 15 113.154 . . . . . . . . 164 T N . 52325 1
419 . 1 . 1 170 170 SER H H 1 8.432 . . . . . . . . 169 S HN . 52325 1
420 . 1 . 1 170 170 SER C C 13 174.936 . . . . . . . . 169 S CO . 52325 1
421 . 1 . 1 170 170 SER CA C 13 58.280 . . . . . . . . 169 S CA . 52325 1
422 . 1 . 1 170 170 SER N N 15 115.943 . . . . . . . . 169 S N . 52325 1
423 . 1 . 1 171 171 SER H H 1 8.197 . . . . . . . . 170 S HN . 52325 1
424 . 1 . 1 171 171 SER C C 13 174.727 . . . . . . . . 170 S CO . 52325 1
425 . 1 . 1 171 171 SER N N 15 115.384 . . . . . . . . 170 S N . 52325 1
426 . 1 . 1 172 172 SER H H 1 8.324 . . . . . . . . 171 S HN . 52325 1
427 . 1 . 1 172 172 SER C C 13 174.410 . . . . . . . . 171 S CO . 52325 1
428 . 1 . 1 172 172 SER CA C 13 58.392 . . . . . . . . 171 S CA . 52325 1
429 . 1 . 1 172 172 SER N N 15 117.754 . . . . . . . . 171 S N . 52325 1
430 . 1 . 1 173 173 SER H H 1 8.237 . . . . . . . . 172 S HN . 52325 1
431 . 1 . 1 173 173 SER C C 13 173.732 . . . . . . . . 172 S CO . 52325 1
432 . 1 . 1 173 173 SER CA C 13 58.325 . . . . . . . . 172 S CA . 52325 1
433 . 1 . 1 173 173 SER N N 15 117.557 . . . . . . . . 172 S N . 52325 1
434 . 1 . 1 174 174 SER H H 1 8.140 . . . . . . . . 173 S HN . 52325 1
435 . 1 . 1 174 174 SER C C 13 174.680 . . . . . . . . 173 S CO . 52325 1
436 . 1 . 1 174 174 SER CA C 13 57.539 . . . . . . . . 173 S CA . 52325 1
437 . 1 . 1 174 174 SER N N 15 121.863 . . . . . . . . 173 S N . 52325 1
438 . 1 . 1 178 178 SER H H 1 8.360 . . . . . . . . 177 S HN . 52325 1
439 . 1 . 1 178 178 SER C C 13 175.228 . . . . . . . . 177 S CO . 52325 1
440 . 1 . 1 178 178 SER CA C 13 59.136 . . . . . . . . 177 S CA . 52325 1
441 . 1 . 1 178 178 SER N N 15 115.257 . . . . . . . . 177 S N . 52325 1
442 . 1 . 1 181 181 LEU H H 1 8.130 . . . . . . . . 180 L HN . 52325 1
443 . 1 . 1 181 181 LEU C C 13 177.115 . . . . . . . . 180 L CO . 52325 1
444 . 1 . 1 181 181 LEU CA C 13 55.324 . . . . . . . . 180 L CA . 52325 1
445 . 1 . 1 181 181 LEU N N 15 121.783 . . . . . . . . 180 L N . 52325 1
446 . 1 . 1 182 182 LEU H H 1 8.033 . . . . . . . . 181 L HN . 52325 1
447 . 1 . 1 182 182 LEU C C 13 176.923 . . . . . . . . 181 L CO . 52325 1
448 . 1 . 1 182 182 LEU CA C 13 54.956 . . . . . . . . 181 L CA . 52325 1
449 . 1 . 1 182 182 LEU N N 15 121.777 . . . . . . . . 181 L N . 52325 1
450 . 1 . 1 183 183 MET H H 1 8.180 . . . . . . . . 182 M HN . 52325 1
451 . 1 . 1 183 183 MET C C 13 174.171 . . . . . . . . 182 M CO . 52325 1
452 . 1 . 1 183 183 MET CA C 13 52.751 . . . . . . . . 182 M CA . 52325 1
453 . 1 . 1 183 183 MET N N 15 122.193 . . . . . . . . 182 M N . 52325 1
454 . 1 . 1 185 185 THR H H 1 8.186 . . . . . . . . 184 T HN . 52325 1
455 . 1 . 1 185 185 THR C C 13 174.452 . . . . . . . . 184 T CO . 52325 1
456 . 1 . 1 185 185 THR CA C 13 61.973 . . . . . . . . 184 T CA . 52325 1
457 . 1 . 1 185 185 THR N N 15 114.217 . . . . . . . . 184 T N . 52325 1
458 . 1 . 1 186 186 MET H H 1 8.307 . . . . . . . . 185 M HN . 52325 1
459 . 1 . 1 186 186 MET C C 13 175.360 . . . . . . . . 185 M CO . 52325 1
460 . 1 . 1 186 186 MET CA C 13 55.050 . . . . . . . . 185 M CA . 52325 1
461 . 1 . 1 186 186 MET N N 15 122.878 . . . . . . . . 185 M N . 52325 1
462 . 1 . 1 187 187 ALA H H 1 8.333 . . . . . . . . 186 A HN . 52325 1
463 . 1 . 1 187 187 ALA C C 13 175.553 . . . . . . . . 186 A CO . 52325 1
464 . 1 . 1 187 187 ALA CA C 13 50.587 . . . . . . . . 186 A CA . 52325 1
465 . 1 . 1 187 187 ALA N N 15 126.905 . . . . . . . . 186 A N . 52325 1
466 . 1 . 1 189 189 SER H H 1 8.380 . . . . . . . . 188 S HN . 52325 1
467 . 1 . 1 189 189 SER C C 13 175.236 . . . . . . . . 188 S CO . 52325 1
468 . 1 . 1 189 189 SER CA C 13 58.376 . . . . . . . . 188 S CA . 52325 1
469 . 1 . 1 189 189 SER N N 15 115.698 . . . . . . . . 188 S N . 52325 1
470 . 1 . 1 190 190 GLY H H 1 8.424 . . . . . . . . 189 G HN . 52325 1
471 . 1 . 1 190 190 GLY C C 13 173.744 . . . . . . . . 189 G CO . 52325 1
472 . 1 . 1 190 190 GLY CA C 13 45.250 . . . . . . . . 189 G CA . 52325 1
473 . 1 . 1 190 190 GLY N N 15 110.793 . . . . . . . . 189 G N . 52325 1
474 . 1 . 1 191 191 GLN H H 1 8.115 . . . . . . . . 190 Q HN . 52325 1
475 . 1 . 1 191 191 GLN C C 13 173.826 . . . . . . . . 190 Q CO . 52325 1
476 . 1 . 1 191 191 GLN CA C 13 53.543 . . . . . . . . 190 Q CA . 52325 1
477 . 1 . 1 191 191 GLN N N 15 120.592 . . . . . . . . 190 Q N . 52325 1
478 . 1 . 1 195 195 VAL H H 1 8.210 . . . . . . . . 194 V HN . 52325 1
479 . 1 . 1 195 195 VAL C C 13 176.182 . . . . . . . . 194 V CO . 52325 1
480 . 1 . 1 195 195 VAL CA C 13 62.299 . . . . . . . . 194 V CA . 52325 1
481 . 1 . 1 195 195 VAL N N 15 120.209 . . . . . . . . 194 V N . 52325 1
482 . 1 . 1 196 196 SER H H 1 8.330 . . . . . . . . 195 S HN . 52325 1
483 . 1 . 1 196 196 SER C C 13 174.302 . . . . . . . . 195 S CO . 52325 1
484 . 1 . 1 196 196 SER CA C 13 58.012 . . . . . . . . 195 S CA . 52325 1
485 . 1 . 1 196 196 SER N N 15 119.038 . . . . . . . . 195 S N . 52325 1
486 . 1 . 1 197 197 MET H H 1 8.420 . . . . . . . . 196 M HN . 52325 1
487 . 1 . 1 197 197 MET C C 13 175.747 . . . . . . . . 196 M CO . 52325 1
488 . 1 . 1 197 197 MET CA C 13 55.294 . . . . . . . . 196 M CA . 52325 1
489 . 1 . 1 197 197 MET N N 15 123.054 . . . . . . . . 196 M N . 52325 1
490 . 1 . 1 198 198 VAL H H 1 8.127 . . . . . . . . 197 V HN . 52325 1
491 . 1 . 1 198 198 VAL C C 13 173.981 . . . . . . . . 197 V CO . 52325 1
492 . 1 . 1 198 198 VAL CA C 13 59.849 . . . . . . . . 197 V CA . 52325 1
493 . 1 . 1 198 198 VAL N N 15 123.290 . . . . . . . . 197 V N . 52325 1
stop_
save_