data_6281 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Complexin/SNARE complex ; _BMRB_accession_number 6281 _BMRB_flat_file_name bmr6281.str _Entry_type original _Submission_date 2004-07-30 _Accession_date 2004-08-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Xiaocheng . . 2 Rizo Josep . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 151 "13C chemical shifts" 153 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6235 'SNARE complex' stop_ _Original_release_date 2004-11-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Three-Dimensional Structure of the Complexin/SNARE Complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11832227 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Xiaocheng . . 2 Tomchick Diana R. . 3 Kovrigin Evguenii . . 4 Arac Demet . . 5 Machius Mischa . . 6 Sudhof Thomas C. . 7 Rizo Josep . . stop_ _Journal_abbreviation Neuron _Journal_volume 33 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 397 _Page_last 409 _Year 2002 _Details . loop_ _Keyword 'membrane fusion' 'SNARE proteins' 'the core complex' complexin 'TROSY-based NMR' stop_ save_ ################################## # Molecular system description # ################################## save_Complexin_SNARE_complex _Saveframe_category molecular_system _Mol_system_name 'Complexin/SNARE complex' _Abbreviation_common 'Complexin/SNARE complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Synaptobrevin2 (29-93)' $SyB2 'Syntaxin 1A(191-253)' $Syx 'SNAP-25B (11-82-W)' $SNN 'SNAP-25B (141-203-W)' $SNC 'Complexin I(26-83)' $CpxI stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'involved in neurotransmitter release' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SyB2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Synaptobrevin2 SNARE motif' _Abbreviation_common SyB2 _Molecular_mass 7761 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; NRRLQQTQAQVDEVVDIMRV NVDKVLERDQKLSELDDRAD ALQAGASQFETSAAKLKRKY WWKNL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 29 ASN 2 30 ARG 3 31 ARG 4 32 LEU 5 33 GLN 6 34 GLN 7 35 THR 8 36 GLN 9 37 ALA 10 38 GLN 11 39 VAL 12 40 ASP 13 41 GLU 14 42 VAL 15 43 VAL 16 44 ASP 17 45 ILE 18 46 MET 19 47 ARG 20 48 VAL 21 49 ASN 22 50 VAL 23 51 ASP 24 52 LYS 25 53 VAL 26 54 LEU 27 55 GLU 28 56 ARG 29 57 ASP 30 58 GLN 31 59 LYS 32 60 LEU 33 61 SER 34 62 GLU 35 63 LEU 36 64 ASP 37 65 ASP 38 66 ARG 39 67 ALA 40 68 ASP 41 69 ALA 42 70 LEU 43 71 GLN 44 72 ALA 45 73 GLY 46 74 ALA 47 75 SER 48 76 GLN 49 77 PHE 50 78 GLU 51 79 THR 52 80 SER 53 81 ALA 54 82 ALA 55 83 LYS 56 84 LEU 57 85 LYS 58 86 ARG 59 87 LYS 60 88 TYR 61 89 TRP 62 90 TRP 63 91 LYS 64 92 ASN 65 93 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1KIL "Three-Dimensional Structure Of The ComplexinSNARE COMPLEX" 80.36 49 100.00 100.00 5.98e-20 DBJ BAA07605 "presynaptic protein [Mus musculus]" 100.00 134 100.00 100.00 1.31e-25 DBJ BAA11097 "synaphin 2 [Rattus norvegicus]" 100.00 134 100.00 100.00 1.31e-25 DBJ BAE01944 "unnamed protein product [Macaca fascicularis]" 100.00 134 98.21 98.21 9.38e-25 DBJ BAE22299 "unnamed protein product [Mus musculus]" 100.00 134 100.00 100.00 1.31e-25 DBJ BAE34390 "unnamed protein product [Mus musculus]" 100.00 134 100.00 100.00 1.31e-25 GB AAC52270 "complexin I [Rattus norvegicus]" 100.00 134 100.00 100.00 1.31e-25 GB AAH14803 "Complexin 1 [Mus musculus]" 100.00 134 100.00 100.00 1.29e-25 GB AAH93605 "Complexin 1 [Rattus norvegicus]" 100.00 134 100.00 100.00 1.31e-25 GB ACH43703 "putative complexin 1 [Taeniopygia guttata]" 75.00 149 97.62 97.62 4.34e-16 GB EDL20107 "complexin 1 [Mus musculus]" 100.00 134 100.00 100.00 1.31e-25 REF NP_001232223 "putative complexin 1 [Taeniopygia guttata]" 75.00 149 97.62 97.62 4.34e-16 REF NP_001244613 "complexin-1 [Macaca mulatta]" 100.00 134 98.21 98.21 9.38e-25 REF NP_001271686 "complexin-1 [Macaca fascicularis]" 100.00 134 98.21 98.21 9.38e-25 REF NP_031782 "complexin-1 [Mus musculus]" 100.00 134 100.00 100.00 1.31e-25 REF NP_074055 "complexin-1 [Rattus norvegicus]" 100.00 134 100.00 100.00 1.31e-25 SP P63040 "RecName: Full=Complexin-1; AltName: Full=921-S; AltName: Full=Complexin I; Short=CPX I; AltName: Full=Synaphin-2 [Mus musculus]" 100.00 134 100.00 100.00 1.31e-25 SP P63041 "RecName: Full=Complexin-1; AltName: Full=Complexin I; Short=CPX I; AltName: Full=Synaphin-2 [Rattus norvegicus]" 100.00 134 100.00 100.00 1.31e-25 SP Q4R4N1 "RecName: Full=Complexin-1 [Macaca fascicularis]" 100.00 134 98.21 98.21 9.38e-25 stop_ save_ save_Syx _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Syntaxin 1A SNARE motif' _Abbreviation_common Syx _Molecular_mass 7541 _Mol_thiol_state 'not present' _Details . _Residue_count 63 _Mol_residue_sequence ; ALSEIETRHSEIIKLENSIR ELHDMFMDMAMLVESQGEMI DRIEYNVEHAVDYVERAVSD TKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 191 ALA 2 192 LEU 3 193 SER 4 194 GLU 5 195 ILE 6 196 GLU 7 197 THR 8 198 ARG 9 199 HIS 10 200 SER 11 201 GLU 12 202 ILE 13 203 ILE 14 204 LYS 15 205 LEU 16 206 GLU 17 207 ASN 18 208 SER 19 209 ILE 20 210 ARG 21 211 GLU 22 212 LEU 23 213 HIS 24 214 ASP 25 215 MET 26 216 PHE 27 217 MET 28 218 ASP 29 219 MET 30 220 ALA 31 221 MET 32 222 LEU 33 223 VAL 34 224 GLU 35 225 SER 36 226 GLN 37 227 GLY 38 228 GLU 39 229 MET 40 230 ILE 41 231 ASP 42 232 ARG 43 233 ILE 44 234 GLU 45 235 TYR 46 236 ASN 47 237 VAL 48 238 GLU 49 239 HIS 50 240 ALA 51 241 VAL 52 242 ASP 53 243 TYR 54 244 VAL 55 245 GLU 56 246 ARG 57 247 ALA 58 248 VAL 59 249 SER 60 250 ASP 61 251 THR 62 252 LYS 63 253 LYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SWISS-PROT Q16623 'Syntaxin-1A (Neuron-specific antigen HPC-1)' 100.00 288 100.00 100.00 1.88e-28 SWISS-PROT Q5R4L2 Syntaxin-1A 100.00 288 100.00 100.00 1.74e-28 SWISS-PROT P32850 'Syntaxin-1A (Synaptotagmin-associated 35 kDa protein) (P35A) (Neuron-specific antigen HPC-1)' 100.00 288 98.41 100.00 4.25e-28 SWISS-PROT P32851 'Syntaxin-1A (Synaptotagmin-associated 35 kDa protein) (P35A) (Neuron-specific antigen HPC-1)' 100.00 288 100.00 100.00 1.99e-28 REF NP_446240 'syntaxin 1A (brain) [Rattus norvegicus]' 100.00 288 100.00 100.00 1.99e-28 SWISS-PROT O35526 'Syntaxin-1A (Neuron-specific antigen HPC-1)' 100.00 288 98.41 98.41 1.07e-27 REF NP_004594 'syntaxin 1A (brain) [Homo sapiens]' 100.00 288 100.00 100.00 1.88e-28 REF NP_058081 'syntaxin 1A (brain) [Mus musculus]' 100.00 288 98.41 98.41 1.07e-27 REF NP_001028037 'syntaxin 1B [Macaca mulatta]' 100.00 288 100.00 100.00 1.75e-28 REF NP_001077267 'syntaxin 1A (brain) [Bos taurus]' 100.00 322 98.41 100.00 3.59e-28 PIR G01485 'syntaxin - human' 100.00 259 100.00 100.00 1.45e-28 PRF 2116295A 'syntaxin 1A' 100.00 288 100.00 100.00 1.88e-28 GenBank AAB22525 'syntaxin, P35A [rats, brain, Peptide Partial, 285 aa]' 100.00 285 100.00 100.00 1.83e-28 GenBank AAF64478 'syntaxin 1A [Macaca mulatta]' 100.00 288 100.00 100.00 1.75e-28 GenBank AAA42195 'syntaxin A' 100.00 285 100.00 100.00 1.83e-28 GenBank AAA53519 'syntaxin 1A [Homo sapiens]' 100.00 288 100.00 100.00 1.88e-28 EMBL CAH93304 'hypothetical protein [Pongo abelii]' 100.00 288 100.00 100.00 1.74e-28 GenBank AAA20940 'syntaxin [Homo sapiens]' 100.00 259 100.00 100.00 1.45e-28 DBJ BAG36694 'unnamed protein product [Homo sapiens]' 100.00 288 100.00 100.00 1.88e-28 EMBL CAG33299 'STX1A [Homo sapiens]' 100.00 288 100.00 100.00 1.88e-28 DBJ BAA07151 'HPC-1 [Homo sapiens]' 100.00 288 100.00 100.00 1.88e-28 DBJ BAA28865 'HPC-1/syntaxin [Mus musculus]' 100.00 288 98.41 98.41 1.07e-27 DBJ BAA01231 'HPC-1 antigen [Rattus norvegicus]' 100.00 298 100.00 100.00 1.40e-28 DBJ BAA02089 'synaptotagmin associated 35kDa protein [Rattus norvegicus]' 100.00 285 100.00 100.00 1.83e-28 PDB 1URQ 'Crystal Structure Of Neuronal Q-Snares In Complex With R- Snare Motif Of Tomosyn' 100.00 75 100.00 100.00 5.46e-28 PDB 3C98 'Revised Structure Of The Munc18a-Syntaxin1 Complex' 100.00 279 100.00 100.00 2.99e-28 PDB 1N7S 'High Resolution Structure Of A Truncated Neuronal Snare Complex' 100.00 68 100.00 100.00 7.25e-28 PDB 1SFC 'Neuronal Synaptic Fusion Complex' 100.00 83 100.00 100.00 4.50e-28 PDB 1JTH 'Crystal Structure And Biophysical Properties Of A Complex Between The N-Terminal Region Of Snap25 And The Snare Region Of Syntaxin 1a' 100.00 77 100.00 100.00 4.81e-28 PDB 1KIL 'Three-Dimensional Structure Of The ComplexinSNARE COMPLEX' 95.24 62 100.00 100.00 8.78e-26 BMRB 6235 'Syntaxin 1A SNARE motif' 100.00 63 100.00 100.00 9.70e-28 PDB 1HVV 'Self-Association Of The H3 Region Of Syntaxin 1a: Implications For Snare Complex Assembly' 100.00 75 100.00 100.00 4.62e-28 stop_ save_ save_SNN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SNAP-25B N-terminal SNARE motif' _Abbreviation_common SNN _Molecular_mass 8688 _Mol_thiol_state 'not present' _Details . _Residue_count 75 _Mol_residue_sequence ; GSLEEMQRRADQLADESLES TRRMLQLVEESKDAGIRTLV MLDEQGEQLDRVEEGMNHIN QDMKEAEKNLKDLGW ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 LEU 4 GLU 5 GLU 6 MET 7 GLN 8 ARG 9 ARG 10 ALA 11 ASP 12 GLN 13 LEU 14 ALA 15 ASP 16 GLU 17 SER 18 LEU 19 GLU 20 SER 21 THR 22 ARG 23 ARG 24 MET 25 LEU 26 GLN 27 LEU 28 VAL 29 GLU 30 GLU 31 SER 32 LYS 33 ASP 34 ALA 35 GLY 36 ILE 37 ARG 38 THR 39 LEU 40 VAL 41 MET 42 LEU 43 ASP 44 GLU 45 GLN 46 GLY 47 GLU 48 GLN 49 LEU 50 ASP 51 ARG 52 VAL 53 GLU 54 GLU 55 GLY 56 MET 57 ASN 58 HIS 59 ILE 60 ASN 61 GLN 62 ASP 63 MET 64 LYS 65 GLU 66 ALA 67 GLU 68 LYS 69 ASN 70 LEU 71 LYS 72 ASP 73 LEU 74 GLY 75 TRP stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value REF XP_849677 'PREDICTED: similar to synaptosomal-associated protein 25 isoform SNAP25A isoform 3 [Canis familiaris]' 96.00 206 100.00 100.00 5.96e-32 REF XP_001513821 'PREDICTED: similar to synaptosomal associated protein-25 isoform 2 [Ornithorhynchus anatinus]' 96.00 206 100.00 100.00 5.96e-32 REF XP_001493177 'PREDICTED: similar to synaptosomal-associated protein 25 isoform 2 [Equus caballus]' 96.00 206 100.00 100.00 5.96e-32 REF XP_001374457 'PREDICTED: similar to synaptosomal associated protein-25 isoform 2 [Monodelphis domestica]' 96.00 206 100.00 100.00 5.96e-32 REF NP_003072 'synaptosomal-associated protein 25 isoform SNAP25A [Homo sapiens]' 96.00 206 100.00 100.00 5.96e-32 PIR S38308 'SNAP-25 protein - chicken' 96.00 249 100.00 100.00 1.69e-32 GenBank AAV38489 'synaptosomal-associated protein, 25kDa [synthetic construct]' 96.00 207 100.00 100.00 6.58e-32 GenBank AAH10647 'Synaptosomal-associated protein, 25kDa [Homo sapiens]' 96.00 206 100.00 100.00 5.96e-32 GenBank AAC37545 'nerve terminal protein' 96.00 206 100.00 100.00 5.96e-32 GenBank AAA99825 SNAP-25a 93.33 181 100.00 100.00 6.32e-31 GenBank AAA49070 'this product utilizes exon 5a' 96.00 206 100.00 100.00 5.96e-32 EMBL CAL38529 'hypothetical protein [synthetic construct]' 96.00 206 100.00 100.00 5.96e-32 EMBL CAL38108 'hypothetical protein [synthetic construct]' 96.00 206 100.00 100.00 5.96e-32 EMBL CAI29660 'hypothetical protein [Pongo abelii]' 96.00 206 100.00 100.00 5.96e-32 EMBL CAH92726 'hypothetical protein [Pongo abelii]' 96.00 206 100.00 100.00 5.86e-32 EMBL CAB42860 'synaptosomal-associated protein, 25kDa [Homo sapiens]' 96.00 206 100.00 100.00 5.96e-32 DBJ BAF82336 'unnamed protein product [Homo sapiens]' 96.00 206 100.00 100.00 5.96e-32 DBJ BAA20151 'SNAP-25A [Rattus rattus]' 96.00 206 100.00 100.00 5.96e-32 PDB 1URQ 'Crystal Structure Of Neuronal Q-Snares In Complex With R- Snare Motif Of Tomosyn' 96.00 80 100.00 100.00 9.58e-32 PDB 1SFC 'Neuronal Synaptic Fusion Complex' 96.00 83 100.00 100.00 9.04e-32 PDB 1N7S 'High Resolution Structure Of A Truncated Neuronal Snare Complex' 96.00 79 100.00 100.00 9.91e-32 PDB 1KIL 'Three-Dimensional Structure Of The ComplexinSNARE COMPLEX' 97.33 74 100.00 100.00 6.11e-32 BMRB 6235 'SNAP-25B N-terminal SNARE motif' 97.33 73 100.00 100.00 9.99e-33 stop_ save_ save_SNC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SNAP-25B C-terminal SNARE motif' _Abbreviation_common SNC _Molecular_mass 7603 _Mol_thiol_state 'not present' _Details . _Residue_count 66 _Mol_residue_sequence ; GSARENEMDENLEQVSGIIG NLRHMALDMGNEIDTQNRQI DRIMEKADSNKTRIDEANQR ATKMLW ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 ARG 5 GLU 6 ASN 7 GLU 8 MET 9 ASP 10 GLU 11 ASN 12 LEU 13 GLU 14 GLN 15 VAL 16 SER 17 GLY 18 ILE 19 ILE 20 GLY 21 ASN 22 LEU 23 ARG 24 HIS 25 MET 26 ALA 27 LEU 28 ASP 29 MET 30 GLY 31 ASN 32 GLU 33 ILE 34 ASP 35 THR 36 GLN 37 ASN 38 ARG 39 GLN 40 ILE 41 ASP 42 ARG 43 ILE 44 MET 45 GLU 46 LYS 47 ALA 48 ASP 49 SER 50 ASN 51 LYS 52 THR 53 ARG 54 ILE 55 ASP 56 GLU 57 ALA 58 ASN 59 GLN 60 ARG 61 ALA 62 THR 63 LYS 64 MET 65 LEU 66 TRP stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SWISS-PROT P60879 'Synaptosomal-associated protein 25 (SNAP-25) (Synaptosomal-associated 25 kDa protein) (Super protein) (SUP)' 95.45 206 100.00 100.00 8.98e-28 SWISS-PROT P60880 'Synaptosomal-associated protein 25 (SNAP-25) (Synaptosomal-associated 25 kDa protein) (Super protein) (SUP)' 95.45 206 100.00 100.00 8.98e-28 SWISS-PROT P60877 'Synaptosomal-associated protein 25 (SNAP-25) (Synaptosomal-associated 25 kDa protein)' 95.45 206 100.00 100.00 8.98e-28 SWISS-PROT P60878 'Synaptosomal-associated protein 25 (SNAP-25) (Synaptosomal-associated 25 kDa protein) (Super protein) (SUP)' 95.45 206 100.00 100.00 8.98e-28 REF NP_035558 'synaptosomal-associated protein 25 [Mus musculus]' 95.45 206 100.00 100.00 8.98e-28 SWISS-PROT P36977 'Synaptosomal-associated protein 25-A (SNAP-25A)' 95.45 204 98.41 98.41 3.44e-27 REF NP_001069714 'synaptosomal-associated protein, 25kDa [Bos taurus]' 95.45 206 100.00 100.00 8.98e-28 REF NP_003072 'synaptosomal-associated protein 25 isoform SNAP25A [Homo sapiens]' 95.45 206 100.00 100.00 1.10e-27 REF NP_001009094 'synaptosomal-associated protein 25 [Pan troglodytes]' 95.45 206 100.00 100.00 8.98e-28 REF NP_001028036 'SNAP-25 [Macaca mulatta]' 95.45 206 100.00 100.00 8.98e-28 PRF 1604365A 'synaptosome assocd protein SNAP25' 95.45 206 100.00 100.00 8.98e-28 PRF 2016338A 'synaptosome-associated protein 25' 95.45 206 100.00 100.00 8.98e-28 PIR S38308 'SNAP-25 protein - chicken' 66.67 249 100.00 100.00 2.24e-17 PIR S38309 'SNAP-25 protein - chicken' 66.67 249 100.00 100.00 2.02e-17 GenBank AAA49072 'synaptosomal associated protein-25' 95.45 206 100.00 100.00 8.98e-28 GenBank AAA61741 'synaptosomal associated protein-25 [Mus musculus]' 95.45 206 100.00 100.00 8.98e-28 GenBank AAA49070 'this product utilizes exon 5a' 95.45 206 100.00 100.00 1.10e-27 GenBank AAA49071 'this product utilizes exon 5b' 95.45 206 100.00 100.00 8.98e-28 EMBL CAH69032 'synaptosome-associated protein 25a [Danio rerio]' 95.45 204 98.41 98.41 3.59e-27 GenBank AAA16537 'synapse protein' 95.45 204 98.41 98.41 3.44e-27 EMBL CAF04071 'synaptosomal-associated protein 25 [Lateolabrax japonicus]' 95.45 204 98.41 98.41 3.47e-27 EMBL CAH69031 'synaptosome-associated protein 25a [Danio rerio]' 95.45 204 98.41 98.41 3.14e-27 EMBL CAB42860 'synaptosomal-associated protein, 25kDa [Homo sapiens]' 95.45 206 100.00 100.00 1.10e-27 EMBL CAC34534 'synaptosomal-associated protein, 25kDa [Homo sapiens]' 95.45 206 100.00 100.00 8.98e-28 DBJ BAB16738 'hypothetical protein [Macaca fascicularis]' 95.45 143 100.00 100.00 9.29e-28 DBJ BAC37105 'unnamed protein product [Mus musculus]' 95.45 206 100.00 100.00 8.98e-28 DBJ BAA20152 'SNAP-25B [Rattus rattus]' 95.45 206 100.00 100.00 8.98e-28 DBJ BAA22370 'HUMSNAP25B(F) [Homo sapiens]' 95.45 206 100.00 100.00 8.98e-28 PDB 1XTG 'Crystal Structure Of Neurotoxin BontA COMPLEXED WITH Synaptosomal-Associated Protein 25' 87.88 59 100.00 100.00 8.62e-25 DBJ BAA20151 'SNAP-25A [Rattus rattus]' 95.45 206 100.00 100.00 1.10e-27 PDB 1N7S 'High Resolution Structure Of A Truncated Neuronal Snare Complex' 98.48 66 100.00 100.00 9.60e-29 PDB 1SFC 'Neuronal Synaptic Fusion Complex' 95.45 87 100.00 100.00 1.21e-27 BMRB 6235 'SNAP-25B C-terminal SNARE motif' 96.97 64 100.00 100.00 1.57e-28 PDB 1KIL 'Three-Dimensional Structure Of The ComplexinSNARE COMPLEX' 100.00 66 100.00 100.00 8.47e-30 stop_ save_ save_CpxI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Complexin I (26-83)' _Abbreviation_common CpxI _Molecular_mass 7080 _Mol_thiol_state 'not present' _Details . _Residue_count 56 _Mol_residue_sequence ; PDAAKKEEERQEALRQAEEE RKAKYAKMEAEREVMRQGIR DKYGIKKKEEREAEAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 28 PRO 2 29 ASP 3 30 ALA 4 31 ALA 5 32 LYS 6 33 LYS 7 34 GLU 8 35 GLU 9 36 GLU 10 37 ARG 11 38 GLN 12 39 GLU 13 40 ALA 14 41 LEU 15 42 ARG 16 43 GLN 17 44 ALA 18 45 GLU 19 46 GLU 20 47 GLU 21 48 ARG 22 49 LYS 23 50 ALA 24 51 LYS 25 52 TYR 26 53 ALA 27 54 LYS 28 55 MET 29 56 GLU 30 57 ALA 31 58 GLU 32 59 ARG 33 60 GLU 34 61 VAL 35 62 MET 36 63 ARG 37 64 GLN 38 65 GLY 39 66 ILE 40 67 ARG 41 68 ASP 42 69 LYS 43 70 TYR 44 71 GLY 45 72 ILE 46 73 LYS 47 74 LYS 48 75 LYS 49 76 GLU 50 77 GLU 51 78 ARG 52 79 GLU 53 80 ALA 54 81 GLU 55 82 ALA 56 83 GLN stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SWISS-PROT Q4R4N1 Complexin-1 100.00 134 98.21 98.21 7.33e-20 SWISS-PROT P63041 'Complexin-1 (Complexin I) (CPX I) (Synaphin-2)' 100.00 134 100.00 100.00 1.59e-20 SWISS-PROT P63040 'Complexin-1 (Complexin I) (CPX I) (Synaphin-2) (921-S)' 100.00 134 100.00 100.00 1.59e-20 REF XP_001377543 'PREDICTED: similar to synaphin 2 [Monodelphis domestica]' 100.00 175 98.21 98.21 6.80e-20 REF XP_001094482 'PREDICTED: similar to complexin 1 isoform 3 [Macaca mulatta]' 100.00 134 98.21 98.21 7.33e-20 REF XP_001094242 'PREDICTED: similar to complexin 1 isoform 1 [Macaca mulatta]' 100.00 135 98.21 98.21 5.20e-20 REF NP_074055 'complexin 1 [Rattus norvegicus]' 100.00 134 100.00 100.00 1.59e-20 REF NP_031782 'complexin 1 [Mus musculus]' 100.00 134 100.00 100.00 1.56e-20 GenBank EDL84015 'complexin 1 [Rattus norvegicus]' 100.00 134 100.00 100.00 1.59e-20 GenBank EDL20107 'complexin 1 [Mus musculus]' 100.00 134 100.00 100.00 1.59e-20 GenBank AAH93605 'Complexin 1 [Rattus norvegicus]' 100.00 134 100.00 100.00 1.59e-20 GenBank AAH14803 'Complexin 1 [Mus musculus]' 100.00 134 100.00 100.00 1.56e-20 GenBank AAC52270 'complexin I' 100.00 134 100.00 100.00 1.59e-20 DBJ BAE34390 'unnamed protein product [Mus musculus]' 100.00 134 100.00 100.00 1.59e-20 DBJ BAE22299 'unnamed protein product [Mus musculus]' 100.00 134 100.00 100.00 1.59e-20 DBJ BAE01944 'unnamed protein product [Macaca fascicularis]' 100.00 134 98.21 98.21 7.33e-20 DBJ BAA11097 'synaphin 2 [Rattus norvegicus]' 100.00 134 100.00 100.00 1.59e-20 DBJ BAA07605 'presynaptic protein [Mus musculus]' 100.00 134 100.00 100.00 1.59e-20 PDB 1KIL 'Three-Dimensional Structure Of The ComplexinSNARE COMPLEX' 80.36 49 100.00 100.00 1.88e-15 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SyB2 'house mouse' 10090 Eukaryota Metazoa Rattus norvegicus $Syx 'house mouse' 10090 Eukaryota Metazoa Rattus norvegicus $SNN human 9606 Eukaryota Metazoa Homo sapiens $SNC human 9606 Eukaryota Metazoa Homo sapiens $CpxI 'house mouse' 10090 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SyB2 'recombinant technology' . . . . . $Syx 'recombinant technology' . . . . . $SNN 'recombinant technology' . . . . . $SNC 'recombinant technology' . . . . . $CpxI 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SyB2 300 mM '[U-95% 13C; U-90% 15N]' $Syx 300 mM . $SNN 300 mM . $SNC 300 mM . $CpxI 300 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SyB2 300 mM . $Syx 300 mM '[U-95% 13C; U-90% 15N]' $SNN 300 mM . $SNC 300 mM . $CpxI 300 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SyB2 300 mM . $Syx 300 mM . $SNN 300 mM . $SNC 300 mM . $CpxI 300 mM '[U-95% 13C; U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Saveframe_category software _Name NMRview _Version 4.12 loop_ _Task 'Analysis NMR spectra' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_Transverse-relaxation_optimized_spectroscopy_(TROSY)-based_triple_resonance_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'Transverse-relaxation optimized spectroscopy (TROSY)-based triple resonance' _Sample_label . save_ save_experiments_were_used_for_assignments._2 _Saveframe_category NMR_applied_experiment _Experiment_name 'experiments were used for assignments.' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.2 n/a temperature 305 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Synaptobrevin2 (29-93)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 4 LEU N N 118.800 0.15 1 2 . 4 LEU H H 7.810 0.03 1 3 . 4 LEU CA C 58.400 0.12 1 4 . 5 GLN N N 118.100 0.15 1 5 . 5 GLN H H 8.050 0.03 1 6 . 5 GLN CA C 59.200 0.12 1 7 . 6 GLN N N 119.200 0.15 1 8 . 6 GLN H H 8.380 0.03 1 9 . 6 GLN CA C 58.900 0.12 1 10 . 7 THR N N 118.400 0.15 1 11 . 7 THR H H 8.200 0.03 1 12 . 7 THR CA C 66.800 0.12 1 13 . 8 GLN N N 122.000 0.15 1 14 . 8 GLN H H 8.660 0.03 1 15 . 8 GLN CA C 58.800 0.12 1 16 . 9 ALA N N 119.700 0.15 1 17 . 9 ALA H H 7.780 0.03 1 18 . 9 ALA CA C 55.100 0.12 1 19 . 10 GLN N N 117.900 0.15 1 20 . 10 GLN H H 7.970 0.03 1 21 . 10 GLN CA C 58.900 0.12 1 22 . 11 VAL N N 120.800 0.15 1 23 . 11 VAL H H 8.510 0.03 1 24 . 11 VAL CA C 67.200 0.12 1 25 . 12 ASP N N 120.200 0.15 1 26 . 12 ASP H H 8.670 0.03 1 27 . 12 ASP CA C 57.600 0.12 1 28 . 13 GLU N N 118.100 0.15 1 29 . 13 GLU H H 7.610 0.03 1 30 . 13 GLU CA C 59.300 0.12 1 31 . 14 VAL N N 118.300 0.15 1 32 . 14 VAL H H 7.810 0.03 1 33 . 14 VAL CA C 66.600 0.12 1 34 . 15 VAL N N 122.300 0.15 1 35 . 15 VAL H H 8.950 0.03 1 36 . 15 VAL CA C 67.200 0.12 1 37 . 16 ASP N N 118.800 0.15 1 38 . 16 ASP H H 7.710 0.03 1 39 . 16 ASP CA C 57.800 0.12 1 40 . 17 ILE N N 119.900 0.15 1 41 . 17 ILE H H 7.860 0.03 1 42 . 17 ILE CA C 65.200 0.12 1 43 . 18 MET N N 117.000 0.15 1 44 . 18 MET H H 8.830 0.03 1 45 . 18 MET CA C 56.100 0.12 1 46 . 19 ARG N N 122.300 0.15 1 47 . 19 ARG H H 8.830 0.03 1 48 . 19 ARG CA C 60.700 0.12 1 49 . 20 VAL N N 118.700 0.15 1 50 . 20 VAL H H 7.160 0.03 1 51 . 20 VAL CA C 65.800 0.12 1 52 . 21 ASN N N 119.600 0.15 1 53 . 21 ASN H H 8.280 0.03 1 54 . 21 ASN CA C 55.700 0.12 1 55 . 22 VAL N N 121.600 0.15 1 56 . 22 VAL H H 8.700 0.03 1 57 . 22 VAL CA C 66.300 0.12 1 58 . 23 ASP N N 121.000 0.15 1 59 . 23 ASP H H 7.440 0.03 1 60 . 23 ASP CA C 58.100 0.12 1 61 . 24 LYS N N 117.500 0.15 1 62 . 24 LYS H H 8.560 0.03 1 63 . 24 LYS CA C 60.000 0.12 1 64 . 25 VAL N N 122.400 0.15 1 65 . 25 VAL H H 8.940 0.03 1 66 . 25 VAL CA C 64.400 0.12 1 67 . 26 LEU N N 127.100 0.15 1 68 . 26 LEU H H 8.470 0.03 1 69 . 26 LEU CA C 57.500 0.12 1 70 . 27 GLU N N 123.700 0.15 1 71 . 27 GLU H H 7.960 0.03 1 72 . 27 GLU CA C 59.800 0.12 1 73 . 28 ARG N N 122.000 0.15 1 74 . 28 ARG H H 8.190 0.03 1 75 . 28 ARG CA C 60.100 0.12 1 76 . 32 LEU N N 116.900 0.15 1 77 . 32 LEU H H 8.770 0.03 1 78 . 32 LEU CA C 57.500 0.12 1 79 . 33 SER N N 115.400 0.15 1 80 . 33 SER H H 8.030 0.03 1 81 . 33 SER CA C 61.400 0.12 1 82 . 34 GLU N N 121.800 0.15 1 83 . 34 GLU H H 7.770 0.03 1 84 . 34 GLU CA C 59.400 0.12 1 85 . 36 ASP N N 122.400 0.15 1 86 . 36 ASP H H 8.820 0.03 1 87 . 36 ASP CA C 56.000 0.12 1 88 . 37 ASP N N 118.900 0.15 1 89 . 37 ASP H H 7.050 0.03 1 90 . 37 ASP CA C 56.900 0.12 1 91 . 38 ARG N N 116.500 0.15 1 92 . 38 ARG H H 8.310 0.03 1 93 . 38 ARG CA C 58.900 0.12 1 94 . 39 ALA N N 121.000 0.15 1 95 . 39 ALA H H 9.670 0.03 1 96 . 39 ALA CA C 55.200 0.12 1 97 . 40 ASP N N 120.000 0.15 1 98 . 40 ASP H H 7.750 0.03 1 99 . 40 ASP CA C 57.600 0.12 1 100 . 41 ALA N N 121.500 0.15 1 101 . 41 ALA H H 8.320 0.03 1 102 . 41 ALA CA C 55.200 0.12 1 103 . 42 LEU N N 119.400 0.15 1 104 . 42 LEU H H 8.650 0.03 1 105 . 42 LEU CA C 58.200 0.12 1 106 . 43 GLN N N 117.300 0.15 1 107 . 43 GLN H H 8.060 0.03 1 108 . 43 GLN CA C 59.800 0.12 1 109 . 44 ALA N N 123.700 0.15 1 110 . 44 ALA H H 7.980 0.03 1 111 . 44 ALA CA C 55.100 0.12 1 112 . 45 GLY N N 107.200 0.15 1 113 . 45 GLY H H 8.540 0.03 1 114 . 45 GLY CA C 47.000 0.12 1 115 . 46 ALA N N 125.500 0.15 1 116 . 46 ALA H H 8.970 0.03 1 117 . 46 ALA CA C 55.300 0.12 1 118 . 47 SER N N 114.300 0.15 1 119 . 47 SER H H 8.410 0.03 1 120 . 47 SER CA C 60.700 0.12 1 121 . 48 GLN N N 120.800 0.15 1 122 . 48 GLN H H 7.580 0.03 1 123 . 48 GLN CA C 58.700 0.12 1 124 . 49 PHE N N 121.300 0.15 1 125 . 49 PHE H H 8.200 0.03 1 126 . 49 PHE CA C 59.200 0.12 1 127 . 50 GLU N N 120.400 0.15 1 128 . 50 GLU H H 8.450 0.03 1 129 . 50 GLU CA C 60.600 0.12 1 130 . 51 THR N N 115.500 0.15 1 131 . 51 THR H H 7.930 0.03 1 132 . 51 THR CA C 66.700 0.12 1 133 . 52 SER N N 119.500 0.15 1 134 . 52 SER H H 8.530 0.03 1 135 . 52 SER CA C 62.200 0.12 1 136 . 53 ALA N N 124.700 0.15 1 137 . 53 ALA H H 9.050 0.03 1 138 . 53 ALA CA C 55.300 0.12 1 139 . 54 ALA N N 119.600 0.15 1 140 . 54 ALA H H 8.030 0.03 1 141 . 54 ALA CA C 55.200 0.12 1 142 . 55 LYS N N 117.800 0.15 1 143 . 55 LYS H H 7.680 0.03 1 144 . 55 LYS CA C 59.400 0.12 1 145 . 56 LEU N N 121.800 0.15 1 146 . 56 LEU H H 8.280 0.03 1 147 . 56 LEU CA C 57.800 0.12 1 148 . 57 LYS N N 119.200 0.15 1 149 . 57 LYS H H 8.080 0.03 1 150 . 57 LYS CA C 59.100 0.12 1 151 . 58 ARG N N 116.000 0.15 1 152 . 58 ARG H H 7.420 0.03 1 153 . 58 ARG CA C 58.200 0.12 1 154 . 59 LYS N N 118.800 0.15 1 155 . 59 LYS H H 7.810 0.03 1 156 . 59 LYS CA C 58.400 0.12 1 157 . 61 TRP N N 119.500 0.15 1 158 . 61 TRP H H 7.820 0.03 1 159 . 61 TRP CA C 58.100 0.12 1 160 . 62 TRP N N 119.900 0.15 1 161 . 62 TRP H H 7.450 0.03 1 162 . 62 TRP CA C 57.600 0.12 1 163 . 63 LYS N N 120.700 0.15 1 164 . 63 LYS H H 7.520 0.03 1 165 . 63 LYS CA C 56.500 0.12 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Syntaxin 1A(191-253)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 5 ILE N N 121.790 0.15 1 2 . 5 ILE H H 7.930 0.03 1 3 . 5 ILE CA C 64.100 0.12 1 4 . 6 GLU N N 122.750 0.15 1 5 . 6 GLU H H 8.720 0.03 1 6 . 6 GLU CA C 60.000 0.12 1 7 . 7 THR N N 117.900 0.15 1 8 . 7 THR H H 8.260 0.03 1 9 . 7 THR CA C 66.500 0.12 1 10 . 8 ARG N N 123.210 0.15 1 11 . 8 ARG H H 8.080 0.03 1 12 . 8 ARG CA C 59.400 0.12 1 13 . 9 HIS N N 119.330 0.15 1 14 . 9 HIS H H 8.400 0.03 1 15 . 9 HIS CA C 60.400 0.12 1 16 . 10 SER N N 113.740 0.15 1 17 . 10 SER H H 8.020 0.03 1 18 . 10 SER CA C 61.900 0.12 1 19 . 11 GLU N N 122.280 0.15 1 20 . 11 GLU H H 7.910 0.03 1 21 . 11 GLU CA C 59.600 0.12 1 22 . 12 ILE N N 125.220 0.15 1 23 . 12 ILE H H 8.540 0.03 1 24 . 12 ILE CA C 65.400 0.12 1 25 . 13 ILE N N 120.550 0.15 1 26 . 13 ILE H H 8.250 0.03 1 27 . 13 ILE CA C 62.700 0.12 1 28 . 14 LYS N N 121.590 0.15 1 29 . 14 LYS H H 7.650 0.03 1 30 . 14 LYS CA C 59.900 0.12 1 31 . 15 LEU N N 123.740 0.15 1 32 . 15 LEU H H 7.850 0.03 1 33 . 15 LEU CA C 57.900 0.12 1 34 . 16 GLU N N 122.980 0.15 1 35 . 16 GLU H H 9.000 0.03 1 36 . 16 GLU CA C 60.500 0.12 1 37 . 17 ASN N N 118.260 0.15 1 38 . 17 ASN H H 8.620 0.03 1 39 . 17 ASN CA C 56.700 0.12 1 40 . 18 SER N N 119.550 0.15 1 41 . 18 SER H H 8.290 0.03 1 42 . 18 SER CA C 62.700 0.12 1 43 . 19 ILE N N 124.390 0.15 1 44 . 19 ILE H H 8.650 0.03 1 45 . 19 ILE CA C 65.300 0.12 1 46 . 20 ARG N N 124.050 0.15 1 47 . 20 ARG H H 9.120 0.03 1 48 . 20 ARG CA C 60.600 0.12 1 49 . 22 LEU N N 119.880 0.15 1 50 . 22 LEU H H 8.060 0.03 1 51 . 22 LEU CA C 58.200 0.12 1 52 . 23 HIS N N 119.290 0.15 1 53 . 23 HIS H H 9.090 0.03 1 54 . 23 HIS CA C 58.400 0.12 1 55 . 24 ASP N N 123.560 0.15 1 56 . 24 ASP H H 8.800 0.03 1 57 . 24 ASP CA C 58.000 0.12 1 58 . 25 MET N N 119.960 0.15 1 59 . 25 MET H H 8.200 0.03 1 60 . 25 MET CA C 60.900 0.12 1 61 . 26 PHE N N 118.260 0.15 1 62 . 26 PHE H H 8.320 0.03 1 63 . 26 PHE CA C 63.300 0.12 1 64 . 27 MET N N 119.130 0.15 1 65 . 27 MET H H 8.580 0.03 1 66 . 27 MET CA C 57.000 0.12 1 67 . 28 ASP N N 122.210 0.15 1 68 . 28 ASP H H 8.610 0.03 1 69 . 28 ASP CA C 57.300 0.12 1 70 . 29 MET N N 120.160 0.15 1 71 . 29 MET H H 8.490 0.03 1 72 . 29 MET CA C 57.700 0.12 1 73 . 30 ALA N N 120.900 0.15 1 74 . 30 ALA H H 7.530 0.03 1 75 . 30 ALA CA C 55.400 0.12 1 76 . 31 MET N N 119.850 0.15 1 77 . 31 MET H H 7.910 0.03 1 78 . 31 MET CA C 58.900 0.12 1 79 . 32 LEU N N 123.860 0.15 1 80 . 32 LEU H H 8.850 0.03 1 81 . 32 LEU CA C 58.500 0.12 1 82 . 33 VAL N N 120.840 0.15 1 83 . 33 VAL H H 8.610 0.03 1 84 . 33 VAL CA C 67.700 0.12 1 85 . 37 GLY N N 109.260 0.15 1 86 . 37 GLY H H 8.120 0.03 1 87 . 37 GLY CA C 47.600 0.12 1 88 . 38 GLU N N 120.790 0.15 1 89 . 38 GLU H H 7.390 0.03 1 90 . 38 GLU CA C 59.400 0.12 1 91 . 39 MET N N 116.660 0.15 1 92 . 39 MET H H 6.980 0.03 1 93 . 39 MET CA C 59.600 0.12 1 94 . 41 ASP N N 120.440 0.15 1 95 . 41 ASP H H 8.500 0.03 1 96 . 41 ASP CA C 57.900 0.12 1 97 . 42 ARG N N 121.660 0.15 1 98 . 42 ARG H H 7.190 0.03 1 99 . 42 ARG CA C 59.900 0.12 1 100 . 43 ILE N N 122.040 0.15 1 101 . 43 ILE H H 8.730 0.03 1 102 . 43 ILE CA C 65.100 0.12 1 103 . 44 GLU N N 119.920 0.15 1 104 . 44 GLU H H 9.060 0.03 1 105 . 44 GLU CA C 60.000 0.12 1 106 . 45 TYR N N 120.420 0.15 1 107 . 45 TYR H H 7.930 0.03 1 108 . 45 TYR CA C 60.900 0.12 1 109 . 46 ASN N N 121.260 0.15 1 110 . 46 ASN H H 9.000 0.03 1 111 . 46 ASN CA C 56.400 0.12 1 112 . 47 VAL N N 123.080 0.15 1 113 . 47 VAL H H 9.200 0.03 1 114 . 47 VAL CA C 67.800 0.12 1 115 . 48 GLU N N 120.670 0.15 1 116 . 48 GLU H H 8.570 0.03 1 117 . 48 GLU CA C 60.100 0.12 1 118 . 49 HIS N N 116.490 0.15 1 119 . 49 HIS H H 7.820 0.03 1 120 . 49 HIS CA C 59.300 0.12 1 121 . 50 ALA N N 121.980 0.15 1 122 . 50 ALA H H 8.450 0.03 1 123 . 50 ALA CA C 56.100 0.12 1 124 . 51 VAL N N 118.160 0.15 1 125 . 51 VAL H H 8.680 0.03 1 126 . 51 VAL CA C 65.900 0.12 1 127 . 52 ASP N N 119.720 0.15 1 128 . 52 ASP H H 7.210 0.03 1 129 . 52 ASP CA C 57.300 0.12 1 130 . 53 TYR N N 118.460 0.15 1 131 . 53 TYR H H 8.430 0.03 1 132 . 53 TYR CA C 60.100 0.12 1 133 . 56 ARG N N 119.960 0.15 1 134 . 56 ARG H H 8.180 0.03 1 135 . 56 ARG CA C 59.800 0.12 1 136 . 57 ALA N N 123.370 0.15 1 137 . 57 ALA H H 8.240 0.03 1 138 . 57 ALA CA C 54.700 0.12 1 139 . 63 LYS N N 112.360 0.15 1 140 . 63 LYS H H 7.850 0.03 1 141 . 63 LYS CA C 58.000 0.12 1 stop_ save_ save_shift_set_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Complexin I(26-83)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 ASP N N 118.900 0.15 1 2 . 2 ASP H H 8.310 0.03 1 3 . 2 ASP CA C 55.200 0.12 1 4 . 3 ALA N N 123.400 0.15 1 5 . 3 ALA H H 7.940 0.03 1 6 . 3 ALA CA C 54.400 0.12 1 7 . 4 ALA N N 121.000 0.15 1 8 . 4 ALA H H 8.230 0.03 1 9 . 4 ALA CA C 54.200 0.12 1 10 . 5 LYS N N 119.900 0.15 1 11 . 5 LYS H H 7.890 0.03 1 12 . 5 LYS CA C 57.900 0.12 1 13 . 6 LYS N N 119.400 0.15 1 14 . 6 LYS H H 8.010 0.03 1 15 . 6 LYS CA C 58.200 0.12 1 16 . 10 ARG N N 121.800 0.15 1 17 . 10 ARG H H 8.140 0.03 1 18 . 10 ARG CA C 58.900 0.12 1 19 . 11 GLN N N 118.100 0.15 1 20 . 11 GLN H H 8.390 0.03 1 21 . 11 GLN CA C 58.500 0.12 1 22 . 12 GLU CA C 58.600 0.12 1 23 . 13 ALA N N 122.400 0.15 1 24 . 13 ALA H H 8.010 0.03 1 25 . 13 ALA CA C 54.800 0.12 1 26 . 14 LEU N N 120.200 0.15 1 27 . 14 LEU H H 8.070 0.03 1 28 . 14 LEU CA C 57.700 0.12 1 29 . 15 ARG N N 121.200 0.15 1 30 . 15 ARG H H 8.100 0.03 1 31 . 15 ARG CA C 58.400 0.12 1 32 . 16 GLN N N 119.400 0.15 1 33 . 16 GLN H H 8.380 0.03 1 34 . 16 GLN CA C 58.800 0.12 1 35 . 17 ALA N N 121.600 0.15 1 36 . 17 ALA H H 8.070 0.03 1 37 . 17 ALA CA C 54.800 0.12 1 38 . 18 GLU N N 120.400 0.15 1 39 . 18 GLU H H 7.950 0.03 1 40 . 18 GLU CA C 59.400 0.12 1 41 . 19 GLU N N 119.100 0.15 1 42 . 19 GLU H H 7.770 0.03 1 43 . 19 GLU CA C 59.200 0.12 1 44 . 20 GLU N N 121.300 0.15 1 45 . 20 GLU H H 8.670 0.03 1 46 . 20 GLU CA C 57.800 0.12 1 47 . 22 LYS CA C 58.000 0.12 1 48 . 23 ALA N N 121.500 0.15 1 49 . 23 ALA H H 8.010 0.03 1 50 . 23 ALA CA C 55.000 0.12 1 51 . 24 LYS N N 119.600 0.15 1 52 . 24 LYS H H 7.800 0.03 1 53 . 24 LYS CA C 59.300 0.12 1 54 . 25 TYR N N 118.700 0.15 1 55 . 25 TYR H H 7.930 0.03 1 56 . 25 TYR CA C 63.100 0.12 1 57 . 26 ALA N N 123.200 0.15 1 58 . 26 ALA H H 8.600 0.03 1 59 . 26 ALA CA C 55.100 0.12 1 60 . 27 LYS N N 119.600 0.15 1 61 . 27 LYS H H 7.800 0.03 1 62 . 27 LYS CA C 59.300 0.12 1 63 . 28 MET N N 122.900 0.15 1 64 . 28 MET H H 8.160 0.03 1 65 . 28 MET CA C 59.700 0.12 1 66 . 29 GLU N N 118.400 0.15 1 67 . 29 GLU H H 8.550 0.03 1 68 . 29 GLU CA C 59.500 0.12 1 69 . 30 ALA N N 121.600 0.15 1 70 . 30 ALA H H 8.010 0.03 1 71 . 30 ALA CA C 54.800 0.12 1 72 . 31 GLU N N 117.300 0.15 1 73 . 31 GLU H H 7.800 0.03 1 74 . 31 GLU CA C 59.200 0.12 1 75 . 32 ARG N N 120.500 0.15 1 76 . 32 ARG H H 8.370 0.03 1 77 . 32 ARG CA C 60.100 0.12 1 78 . 33 GLU N N 120.300 0.15 1 79 . 33 GLU H H 8.940 0.03 1 80 . 33 GLU CA C 58.900 0.12 1 81 . 34 VAL N N 119.500 0.15 1 82 . 34 VAL H H 7.440 0.03 1 83 . 34 VAL CA C 66.500 0.12 1 84 . 35 MET N N 121.700 0.15 1 85 . 35 MET H H 7.180 0.03 1 86 . 35 MET CA C 58.700 0.12 1 87 . 36 ARG N N 119.600 0.15 1 88 . 36 ARG H H 9.020 0.03 1 89 . 36 ARG CA C 59.800 0.12 1 90 . 37 GLN N N 118.600 0.15 1 91 . 37 GLN H H 8.850 0.03 1 92 . 37 GLN CA C 58.100 0.12 1 93 . 38 GLY N N 106.200 0.15 1 94 . 38 GLY H H 7.930 0.03 1 95 . 38 GLY CA C 47.200 0.12 1 96 . 39 ILE N N 122.800 0.15 1 97 . 39 ILE H H 7.510 0.03 1 98 . 39 ILE CA C 62.600 0.12 1 99 . 40 ARG N N 118.400 0.15 1 100 . 40 ARG H H 8.440 0.03 1 101 . 40 ARG CA C 61.200 0.12 1 102 . 41 ASP N N 117.400 0.15 1 103 . 41 ASP H H 8.710 0.03 1 104 . 41 ASP CA C 56.800 0.12 1 105 . 42 LYS N N 121.000 0.15 1 106 . 42 LYS H H 7.630 0.03 1 107 . 42 LYS CA C 59.300 0.12 1 108 . 43 TYR N N 112.300 0.15 1 109 . 43 TYR H H 7.060 0.03 1 110 . 43 TYR CA C 57.100 0.12 1 111 . 44 GLY N N 110.600 0.15 1 112 . 44 GLY H H 7.850 0.03 1 113 . 44 GLY CA C 47.200 0.12 1 114 . 45 ILE N N 120.700 0.15 1 115 . 45 ILE H H 8.370 0.03 1 116 . 45 ILE CA C 60.700 0.12 1 117 . 46 LYS N N 127.100 0.15 1 118 . 46 LYS H H 8.470 0.03 1 119 . 46 LYS CA C 55.500 0.12 1 120 . 47 LYS N N 123.900 0.15 1 121 . 47 LYS H H 8.640 0.03 1 122 . 47 LYS CA C 56.600 0.12 1 123 . 48 LYS N N 125.200 0.15 1 124 . 48 LYS H H 8.760 0.03 1 125 . 48 LYS CA C 57.500 0.12 1 126 . 49 GLU N N 121.300 0.15 1 127 . 49 GLU H H 8.680 0.03 1 128 . 49 GLU CA C 56.800 0.12 1 129 . 50 GLU N N 121.600 0.15 1 130 . 50 GLU H H 8.270 0.03 1 131 . 50 GLU CA C 56.500 0.12 1 132 . 51 ARG N N 121.300 0.15 1 133 . 51 ARG H H 8.230 0.03 1 134 . 51 ARG CA C 56.300 0.12 1 135 . 52 GLU N N 121.600 0.15 1 136 . 52 GLU H H 8.430 0.03 1 137 . 52 GLU CA C 56.600 0.12 1 138 . 53 ALA N N 124.400 0.15 1 139 . 53 ALA H H 8.240 0.03 1 140 . 53 ALA CA C 52.600 0.12 1 141 . 54 GLU N N 119.600 0.15 1 142 . 54 GLU H H 8.270 0.03 1 143 . 54 GLU CA C 56.400 0.12 1 144 . 55 ALA N N 125.300 0.15 1 145 . 55 ALA H H 8.200 0.03 1 146 . 55 ALA CA C 52.400 0.12 1 147 . 56 GLN N N 124.800 0.15 1 148 . 56 GLN H H 7.920 0.03 1 149 . 56 GLN CA C 57.200 0.12 1 stop_ save_