data_6235 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the SNARE complex ; _BMRB_accession_number 6235 _BMRB_flat_file_name bmr6235.str _Entry_type original _Submission_date 2004-06-11 _Accession_date 2004-06-14 _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 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 235 "13C chemical shifts" 238 "15N chemical shifts" 235 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6281 'Complexin/SNARE complex' stop_ _Original_release_date 2005-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Aare Neuronal SNARE Proteins Ca(2+) Sensors?' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15733924 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Xiaocheng . . 2 Tang J. . . 3 Sudhof T. C. . 4 Rizo Josep . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 347 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 145 _Page_last 158 _Year 2005 _Details . loop_ _Keyword 'membrane fusion' 'SNARE proteins' 'the core complex' 'Ca2+ binding sites' 'TROSY-based NMR' stop_ save_ ################################## # Molecular system description # ################################## save_SNARE_complex _Saveframe_category molecular_system _Mol_system_name 'SNARE complex' _Abbreviation_common 'SNARE complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Syb $Syb Syx $Syx SNN $SNN SNC $SNC 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_Syb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Synaptobrevin2 SNARE motif' _Name_variant 'Synaptobrevin2 (GS-29-93)' _Abbreviation_common Syb _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 2014-10-26 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" 100.00 66 100.00 100.00 1.14e-36 PDB 1N7S "High Resolution Structure Of A Truncated Neuronal Snare Complex" 98.44 66 100.00 100.00 2.10e-35 PDB 1SFC "Neuronal Synaptic Fusion Complex" 100.00 87 98.44 98.44 2.76e-35 PDB 1URQ "Crystal Structure Of Neuronal Q-Snares In Complex With R-Snare Motif Of Tomosyn" 98.44 69 98.41 100.00 5.96e-35 PDB 1XTG "Crystal Structure Of Neurotoxin BontA COMPLEXED WITH Synaptosomal-Associated Protein 25" 90.63 59 100.00 100.00 7.89e-32 PDB 3HD7 "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup C 1 2 1" 98.44 68 100.00 100.00 2.36e-35 PDB 3IPD "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup I 21 21 21" 98.44 68 100.00 100.00 2.36e-35 PDB 3RK2 "Truncated Snare Complex" 98.44 65 100.00 100.00 1.98e-35 PDB 3RK3 "Truncated Snare Complex With Complexin" 98.44 65 100.00 100.00 1.98e-35 PDB 3RL0 "Truncated Snare Complex With Complexin (P1)" 98.44 65 100.00 100.00 1.98e-35 PDB 3ZUR "Crystal Structure Of An Engineered Botulinum Neurotoxin Type A-Snare23 Derivative, Lc0-A-Snap25-Hn-A" 93.75 960 98.33 100.00 1.97e-28 DBJ BAA20151 "SNAP-25A [Rattus rattus]" 98.44 206 100.00 100.00 5.78e-34 DBJ BAA20152 "SNAP-25B [Rattus rattus]" 98.44 206 100.00 100.00 4.77e-34 DBJ BAA22370 "HUMSNAP25B(F) [Homo sapiens]" 98.44 206 100.00 100.00 4.77e-34 DBJ BAB16738 "hypothetical protein [Macaca fascicularis]" 98.44 143 100.00 100.00 1.08e-34 DBJ BAC37105 "unnamed protein product [Mus musculus]" 98.44 206 100.00 100.00 4.77e-34 EMBL CAF04071 "synaptosomal-associated protein 25 [Lateolabrax japonicus]" 98.44 204 98.41 98.41 2.39e-33 EMBL CAG00145 "unnamed protein product [Tetraodon nigroviridis]" 68.75 299 97.73 97.73 1.10e-19 EMBL CAH92513 "hypothetical protein [Pongo abelii]" 98.44 206 100.00 100.00 4.57e-34 EMBL CAH92726 "hypothetical protein [Pongo abelii]" 98.44 206 98.41 100.00 2.33e-33 EMBL CAH93161 "hypothetical protein [Pongo abelii]" 98.44 206 98.41 98.41 4.47e-33 GB AAA16537 "synapse protein [Carassius auratus]" 98.44 204 98.41 98.41 2.47e-33 GB AAA49070 "this product utilizes exon 5a [Gallus gallus]" 98.44 206 100.00 100.00 5.78e-34 GB AAA49071 "this product utilizes exon 5b [Gallus gallus]" 98.44 206 100.00 100.00 4.77e-34 GB AAA49072 "synaptosomal associated protein-25 [Gallus gallus]" 98.44 206 100.00 100.00 4.77e-34 GB AAA61741 "synaptosomal associated protein-25 [Mus musculus domesticus]" 98.44 206 100.00 100.00 4.77e-34 PIR S38308 "SNAP-25 protein - chicken [Gallus gallus]" 68.75 249 100.00 100.00 1.38e-20 PIR S38309 "SNAP-25 protein - chicken [Gallus gallus]" 68.75 249 100.00 100.00 1.30e-20 PRF 1604365A "synaptosome assocd protein SNAP25" 98.44 206 100.00 100.00 4.77e-34 PRF 2016338A "synaptosome-associated protein 25" 98.44 206 100.00 100.00 4.77e-34 REF NP_001009094 "synaptosomal-associated protein 25 [Pan troglodytes]" 98.44 206 100.00 100.00 4.77e-34 REF NP_001028036 "synaptosomal-associated protein 25 [Macaca mulatta]" 98.44 206 100.00 100.00 4.77e-34 REF NP_001069714 "synaptosomal-associated protein 25 [Bos taurus]" 98.44 206 100.00 100.00 4.77e-34 REF NP_001127109 "synaptosomal-associated protein 25 [Pongo abelii]" 98.44 206 100.00 100.00 4.52e-34 REF NP_001128960 "synaptosomal-associated protein 25 [Pongo abelii]" 98.44 206 100.00 100.00 5.78e-34 SP P36977 "RecName: Full=Synaptosomal-associated protein 25-A; Short=SNAP-25A; AltName: Full=Synaptosome-associated protein 25.1; Short=SN" 98.44 204 98.41 98.41 2.47e-33 SP P60877 "RecName: Full=Synaptosomal-associated protein 25; Short=SNAP-25; AltName: Full=Synaptosomal-associated 25 kDa protein [Macaca m" 98.44 206 100.00 100.00 4.77e-34 SP P60878 "RecName: Full=Synaptosomal-associated protein 25; Short=SNAP-25; AltName: Full=Super protein; Short=SUP; AltName: Full=Synaptos" 98.44 206 100.00 100.00 4.77e-34 SP P60879 "RecName: Full=Synaptosomal-associated protein 25; Short=SNAP-25; AltName: Full=Super protein; Short=SUP; AltName: Full=Synaptos" 98.44 206 100.00 100.00 4.77e-34 SP P60880 "RecName: Full=Synaptosomal-associated protein 25; Short=SNAP-25; AltName: Full=Super protein; Short=SUP; AltName: Full=Synaptos" 98.44 206 100.00 100.00 4.77e-34 TPG DAA23666 "TPA: synaptosomal-associated protein 25 [Bos taurus]" 98.44 206 100.00 100.00 4.77e-34 stop_ save_ save_Syx _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Syntaxin 1A SNARE motif' _Name_variant 'Syntaxin 1A (GS-191-253)' _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 6281 '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' _Name_variant 'SNAP-25B (GS-11-82-W)' _Abbreviation_common SNN _Molecular_mass 8688 _Mol_thiol_state 'not present' _Details . _Residue_count 73 _Mol_residue_sequence ; LEEMQRRADQLADESLESTR RMLQLVEESKDAGIRTLVML DEQGEQLDRVEEGMNHINQD MKEAEKNLKDLGW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 LEU 2 12 GLU 3 13 GLU 4 14 MET 5 15 GLN 6 16 ARG 7 17 ARG 8 18 ALA 9 19 ASP 10 20 GLN 11 21 LEU 12 22 ALA 13 23 ASP 14 24 GLU 15 25 SER 16 26 LEU 17 27 GLU 18 28 SER 19 29 THR 20 30 ARG 21 31 ARG 22 32 MET 23 33 LEU 24 34 GLN 25 35 LEU 26 36 VAL 27 37 GLU 28 38 GLU 29 39 SER 30 40 LYS 31 41 ASP 32 42 ALA 33 43 GLY 34 44 ILE 35 45 ARG 36 46 THR 37 47 LEU 38 48 VAL 39 49 MET 40 50 LEU 41 51 ASP 42 52 GLU 43 53 GLN 44 54 GLY 45 55 GLU 46 56 GLN 47 57 LEU 48 58 ASP 49 59 ARG 50 60 VAL 51 61 GLU 52 62 GLU 53 63 GLY 54 64 MET 55 65 ASN 56 66 HIS 57 67 ILE 58 68 ASN 59 69 GLN 60 70 ASP 61 71 MET 62 72 LYS 63 73 GLU 64 74 ALA 65 75 GLU 66 76 LYS 67 77 ASN 68 78 LEU 69 79 LYS 70 80 ASP 71 81 LEU 72 82 GLY 73 83 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]' 98.63 206 100.00 100.00 6.41e-32 REF XP_001513821 'PREDICTED: similar to synaptosomal associated protein-25 isoform 2 [Ornithorhynchus anatinus]' 98.63 206 100.00 100.00 6.41e-32 REF XP_001493177 'PREDICTED: similar to synaptosomal-associated protein 25 isoform 2 [Equus caballus]' 98.63 206 100.00 100.00 6.41e-32 REF XP_001374457 'PREDICTED: similar to synaptosomal associated protein-25 isoform 2 [Monodelphis domestica]' 98.63 206 100.00 100.00 6.41e-32 REF NP_003072 'synaptosomal-associated protein 25 isoform SNAP25A [Homo sapiens]' 98.63 206 100.00 100.00 6.41e-32 PIR S38308 'SNAP-25 protein - chicken' 98.63 249 100.00 100.00 1.69e-32 GenBank AAV38489 'synaptosomal-associated protein, 25kDa [synthetic construct]' 98.63 207 100.00 100.00 6.74e-32 GenBank AAH10647 'Synaptosomal-associated protein, 25kDa [Homo sapiens]' 98.63 206 100.00 100.00 6.41e-32 GenBank AAC37545 'nerve terminal protein' 98.63 206 100.00 100.00 6.41e-32 GenBank AAA99825 SNAP-25a 95.89 181 100.00 100.00 5.95e-31 GenBank AAA49070 'this product utilizes exon 5a' 98.63 206 100.00 100.00 6.41e-32 EMBL CAL38529 'hypothetical protein [synthetic construct]' 98.63 206 100.00 100.00 6.41e-32 EMBL CAL38108 'hypothetical protein [synthetic construct]' 98.63 206 100.00 100.00 6.41e-32 EMBL CAI29660 'hypothetical protein [Pongo abelii]' 98.63 206 100.00 100.00 6.41e-32 EMBL CAH92726 'hypothetical protein [Pongo abelii]' 98.63 206 100.00 100.00 6.52e-32 EMBL CAB42860 'synaptosomal-associated protein, 25kDa [Homo sapiens]' 98.63 206 100.00 100.00 6.41e-32 DBJ BAF82336 'unnamed protein product [Homo sapiens]' 98.63 206 100.00 100.00 6.41e-32 DBJ BAA20151 'SNAP-25A [Rattus rattus]' 98.63 206 100.00 100.00 6.41e-32 PDB 1URQ 'Crystal Structure Of Neuronal Q-Snares In Complex With R- Snare Motif Of Tomosyn' 98.63 80 100.00 100.00 8.52e-32 PDB 1SFC 'Neuronal Synaptic Fusion Complex' 98.63 83 100.00 100.00 8.10e-32 PDB 1N7S 'High Resolution Structure Of A Truncated Neuronal Snare Complex' 98.63 79 100.00 100.00 8.38e-32 PDB 1KIL 'Three-Dimensional Structure Of The ComplexinSNARE COMPLEX' 97.26 74 100.00 100.00 1.11e-30 BMRB 6281 'SNAP-25B N-terminal SNARE motif' 100.00 75 100.00 100.00 1.01e-32 stop_ save_ save_SNC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SNAP-25B C-terminal SNARE motif' _Name_variant 'SNAP-25B (GS-141-203-W)' _Abbreviation_common SNC _Molecular_mass 7603 _Mol_thiol_state 'not present' _Details . _Residue_count 64 _Mol_residue_sequence ; ARENEMDENLEQVSGIIGNL RHMALDMGNEIDTQNRQIDR IMEKADSNKTRIDEANQRAT KMLW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 141 ALA 2 142 ARG 3 143 GLU 4 144 ASN 5 145 GLU 6 146 MET 7 147 ASP 8 148 GLU 9 149 ASN 10 150 LEU 11 151 GLU 12 152 GLN 13 153 VAL 14 154 SER 15 155 GLY 16 156 ILE 17 157 ILE 18 158 GLY 19 159 ASN 20 160 LEU 21 161 ARG 22 162 HIS 23 163 MET 24 164 ALA 25 165 LEU 26 166 ASP 27 167 MET 28 168 GLY 29 169 ASN 30 170 GLU 31 171 ILE 32 172 ASP 33 173 THR 34 174 GLN 35 175 ASN 36 176 ARG 37 177 GLN 38 178 ILE 39 179 ASP 40 180 ARG 41 181 ILE 42 182 MET 43 183 GLU 44 184 LYS 45 185 ALA 46 186 ASP 47 187 SER 48 188 ASN 49 189 LYS 50 190 THR 51 191 ARG 52 192 ILE 53 193 ASP 54 194 GLU 55 195 ALA 56 196 ASN 57 197 GLN 58 198 ARG 59 199 ALA 60 200 THR 61 201 LYS 62 202 MET 63 203 LEU 64 204 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 P60880 'Synaptosomal-associated protein 25 (SNAP-25) (Synaptosomal-associated 25 kDa protein) (Super protein) (SUP)' 98.44 206 100.00 100.00 9.20e-28 SWISS-PROT P60879 'Synaptosomal-associated protein 25 (SNAP-25) (Synaptosomal-associated 25 kDa protein) (Super protein) (SUP)' 98.44 206 100.00 100.00 9.20e-28 SWISS-PROT P60878 'Synaptosomal-associated protein 25 (SNAP-25) (Synaptosomal-associated 25 kDa protein) (Super protein) (SUP)' 98.44 206 100.00 100.00 9.20e-28 SWISS-PROT P60877 'Synaptosomal-associated protein 25 (SNAP-25) (Synaptosomal-associated 25 kDa protein)' 98.44 206 100.00 100.00 9.20e-28 SWISS-PROT P36977 'Synaptosomal-associated protein 25-A (SNAP-25A)' 98.44 204 98.41 98.41 3.44e-27 REF NP_035558 'synaptosomal-associated protein 25 [Mus musculus]' 98.44 206 100.00 100.00 9.20e-28 REF NP_003072 'synaptosomal-associated protein 25 isoform SNAP25A [Homo sapiens]' 98.44 206 100.00 100.00 1.07e-27 REF NP_001069714 'synaptosomal-associated protein, 25kDa [Bos taurus]' 98.44 206 100.00 100.00 9.20e-28 REF NP_001028036 'SNAP-25 [Macaca mulatta]' 98.44 206 100.00 100.00 9.20e-28 REF NP_001009094 'synaptosomal-associated protein 25 [Pan troglodytes]' 98.44 206 100.00 100.00 9.20e-28 PRF 2016338A 'synaptosome-associated protein 25' 98.44 206 100.00 100.00 9.20e-28 PRF 1604365A 'synaptosome assocd protein SNAP25' 98.44 206 100.00 100.00 9.20e-28 PIR S38309 'SNAP-25 protein - chicken' 68.75 249 100.00 100.00 2.16e-17 PIR S38308 'SNAP-25 protein - chicken' 68.75 249 100.00 100.00 2.27e-17 GenBank AAA61741 'synaptosomal associated protein-25 [Mus musculus]' 98.44 206 100.00 100.00 9.20e-28 GenBank AAA49072 'synaptosomal associated protein-25' 98.44 206 100.00 100.00 9.20e-28 GenBank AAA49071 'this product utilizes exon 5b' 98.44 206 100.00 100.00 9.20e-28 GenBank AAA49070 'this product utilizes exon 5a' 98.44 206 100.00 100.00 1.07e-27 GenBank AAA16537 'synapse protein' 98.44 204 98.41 98.41 3.44e-27 EMBL CAH69032 'synaptosome-associated protein 25a [Danio rerio]' 98.44 204 98.41 98.41 3.86e-27 EMBL CAH69031 'synaptosome-associated protein 25a [Danio rerio]' 98.44 204 98.41 98.41 3.19e-27 EMBL CAF04071 'synaptosomal-associated protein 25 [Lateolabrax japonicus]' 98.44 204 98.41 98.41 3.35e-27 EMBL CAC34534 'synaptosomal-associated protein, 25kDa [Homo sapiens]' 98.44 206 100.00 100.00 9.20e-28 EMBL CAB42860 'synaptosomal-associated protein, 25kDa [Homo sapiens]' 98.44 206 100.00 100.00 1.07e-27 DBJ BAC37105 'unnamed protein product [Mus musculus]' 98.44 206 100.00 100.00 9.20e-28 DBJ BAB16738 'hypothetical protein [Macaca fascicularis]' 98.44 143 100.00 100.00 1.03e-27 DBJ BAA22370 'HUMSNAP25B(F) [Homo sapiens]' 98.44 206 100.00 100.00 9.20e-28 DBJ BAA20152 'SNAP-25B [Rattus rattus]' 98.44 206 100.00 100.00 9.20e-28 DBJ BAA20151 'SNAP-25A [Rattus rattus]' 98.44 206 100.00 100.00 1.07e-27 PDB 1XTG 'Crystal Structure Of Neurotoxin BontA COMPLEXED WITH Synaptosomal-Associated Protein 25' 90.63 59 100.00 100.00 9.44e-25 PDB 1URQ 'Crystal Structure Of Neuronal Q-Snares In Complex With R- Snare Motif Of Tomosyn' 98.44 69 98.41 100.00 3.11e-27 PDB 1SFC 'Neuronal Synaptic Fusion Complex' 100.00 87 98.44 98.44 1.19e-27 PDB 1N7S 'High Resolution Structure Of A Truncated Neuronal Snare Complex' 98.44 66 100.00 100.00 1.48e-27 PDB 1KIL 'Three-Dimensional Structure Of The ComplexinSNARE COMPLEX' 100.00 66 100.00 100.00 1.58e-28 BMRB 6281 'SNAP-25B C-terminal SNARE motif' 100.00 66 100.00 100.00 1.58e-28 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Syb 10116 'Norway rat' Eukaryota Metazoa Rattus Norvegicus $Syx 10116 'Norway rat' Eukaryota Metazoa Rattus Norvegicus $SNN 9606 Human Eukaryota Metazoa Homo Sapiens $SNC 9606 Human Eukaryota Metazoa Homo Sapiens 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 $Syb 'recombinant technology' . . . . . $Syx 'recombinant technology' . . . . . $SNN 'recombinant technology' . . . . . $SNC '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 $Syb 0.3 mM '[U-2H; U-13C; U-15N]' $Syx 0.3 mM . $SNN 0.3 mM . $SNC 0.3 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Syb 0.3 mM . $Syx 0.3 mM '[U-2H; U-13C; U-15N]' $SNN 0.3 mM . $SNC 0.3 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Syb 0.3 mM . $Syx 0.3 mM . $SNN 0.3 mM '[U-2H; U-13C; U-15N]' $SNC 0.3 mM . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Syb 0.3 mM . $Syx 0.3 mM . $SNN 0.3 mM . $SNC 0.3 mM '[U-2H; U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Saveframe_category software _Name NMRview _Version 4.12 _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_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_Transverse-relaxation_optimized_spectroscopy_(TROSY)_based_HNCA_and_TROSY_based_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'Transverse-relaxation optimized spectroscopy (TROSY) based HNCA and TROSY based HN(CO)CA' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'Transverse-relaxation optimized spectroscopy (TROSY) based HNCA and TROSY based HN(CO)CA' _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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_nmr_parameters_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 Syb _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 32 4 LEU CA C 58.500 0.12 1 2 33 5 GLN N N 118.100 0.15 1 3 33 5 GLN H H 8.050 0.03 1 4 33 5 GLN CA C 59.100 0.12 1 5 34 6 GLN N N 119.400 0.15 1 6 34 6 GLN H H 8.360 0.03 1 7 34 6 GLN CA C 58.900 0.12 1 8 35 7 THR N N 118.300 0.15 1 9 35 7 THR H H 8.190 0.03 1 10 35 7 THR CA C 66.800 0.12 1 11 36 8 GLN N N 122.100 0.15 1 12 36 8 GLN H H 8.650 0.03 1 13 36 8 GLN CA C 58.900 0.12 1 14 37 9 ALA N N 119.700 0.15 1 15 37 9 ALA H H 7.790 0.03 1 16 37 9 ALA CA C 55.100 0.12 1 17 38 10 GLN N N 117.900 0.15 1 18 38 10 GLN H H 7.960 0.03 1 19 38 10 GLN CA C 59.000 0.12 1 20 39 11 VAL N N 120.800 0.15 1 21 39 11 VAL H H 8.510 0.03 1 22 39 11 VAL CA C 67.200 0.12 1 23 40 12 ASP N N 119.900 0.15 1 24 40 12 ASP H H 8.620 0.03 1 25 40 12 ASP CA C 57.700 0.12 1 26 41 13 GLU N N 118.300 0.15 1 27 41 13 GLU H H 7.650 0.03 1 28 41 13 GLU CA C 59.400 0.12 1 29 42 14 VAL N N 118.300 0.15 1 30 42 14 VAL H H 7.860 0.03 1 31 42 14 VAL CA C 66.600 0.12 1 32 43 15 VAL N N 122.100 0.15 1 33 43 15 VAL H H 8.920 0.03 1 34 43 15 VAL CA C 67.500 0.12 1 35 44 16 ASP N N 118.800 0.15 1 36 44 16 ASP H H 7.700 0.03 1 37 44 16 ASP CA C 57.900 0.12 1 38 45 17 ILE N N 119.700 0.15 1 39 45 17 ILE H H 7.900 0.03 1 40 45 17 ILE CA C 65.200 0.12 1 41 46 18 MET N N 117.000 0.15 1 42 46 18 MET H H 8.730 0.03 1 43 46 18 MET CA C 56.400 0.12 1 44 47 19 ARG N N 121.300 0.15 1 45 47 19 ARG H H 8.800 0.03 1 46 47 19 ARG CA C 60.200 0.12 1 47 48 20 VAL N N 119.800 0.15 1 48 48 20 VAL H H 7.270 0.03 1 49 48 20 VAL CA C 65.700 0.12 1 50 49 21 ASN N N 119.900 0.15 1 51 49 21 ASN H H 8.330 0.03 1 52 49 21 ASN CA C 55.800 0.12 1 53 50 22 VAL N N 121.800 0.15 1 54 50 22 VAL H H 8.550 0.03 1 55 50 22 VAL CA C 66.600 0.12 1 56 51 23 ASP N N 119.900 0.15 1 57 51 23 ASP H H 7.270 0.03 1 58 51 23 ASP CA C 58.300 0.12 1 59 52 24 LYS N N 119.900 0.15 1 60 52 24 LYS H H 8.390 0.03 1 61 52 24 LYS CA C 59.800 0.12 1 62 53 25 VAL N N 123.100 0.15 1 63 53 25 VAL H H 8.820 0.03 1 64 53 25 VAL CA C 64.800 0.12 1 65 54 26 LEU N N 127.100 0.15 1 66 54 26 LEU H H 8.510 0.03 1 67 54 26 LEU CA C 57.700 0.12 1 68 55 27 GLU N N 123.600 0.15 1 69 55 27 GLU H H 7.790 0.03 1 70 55 27 GLU CA C 59.700 0.12 1 71 56 28 ARG N N 121.900 0.15 1 72 56 28 ARG H H 8.070 0.03 1 73 60 32 LEU N N 118.300 0.15 1 74 60 32 LEU H H 8.980 0.03 1 75 60 32 LEU CA C 57.800 0.12 1 76 61 33 SER N N 116.300 0.15 1 77 61 33 SER H H 8.320 0.03 1 78 61 33 SER CA C 62.000 0.12 1 79 62 34 GLU N N 122.300 0.15 1 80 62 34 GLU H H 7.690 0.03 1 81 62 34 GLU CA C 59.100 0.12 1 82 63 35 LEU N N 122.400 0.15 1 83 63 35 LEU H H 8.650 0.03 1 84 63 35 LEU CA C 57.600 0.12 1 85 64 36 ASP N N 122.000 0.15 1 86 64 36 ASP H H 9.090 0.03 1 87 64 36 ASP CA C 56.200 0.12 1 88 65 37 ASP N N 119.700 0.15 1 89 65 37 ASP H H 7.490 0.03 1 90 65 37 ASP CA C 57.700 0.12 1 91 66 38 ARG N N 119.100 0.15 1 92 66 38 ARG H H 8.430 0.03 1 93 66 38 ARG CA C 58.800 0.12 1 94 67 39 ALA N N 121.800 0.15 1 95 67 39 ALA H H 9.650 0.03 1 96 67 39 ALA CA C 55.200 0.12 1 97 68 40 ASP N N 119.400 0.15 1 98 68 40 ASP H H 7.860 0.03 1 99 68 40 ASP CA C 57.400 0.12 1 100 69 41 ALA N N 120.700 0.15 1 101 69 41 ALA H H 7.930 0.03 1 102 69 41 ALA CA C 54.900 0.12 1 103 70 42 LEU N N 119.700 0.15 1 104 70 42 LEU H H 8.650 0.03 1 105 70 42 LEU CA C 58.100 0.12 1 106 71 43 GLN N N 117.100 0.15 1 107 71 43 GLN H H 8.110 0.03 1 108 71 43 GLN CA C 59.800 0.12 1 109 72 44 ALA N N 123.600 0.15 1 110 72 44 ALA H H 7.910 0.03 1 111 72 44 ALA CA C 55.000 0.12 1 112 73 45 GLY N N 107.2 0.15 1 113 73 45 GLY H H 8.540 0.03 1 114 73 45 GLY CA C 47.000 0.12 1 115 74 46 ALA N N 125.500 0.15 1 116 74 46 ALA H H 8.970 0.03 1 117 74 46 ALA CA C 55.500 0.12 1 118 75 47 SER N N 114.200 0.15 1 119 75 47 SER H H 8.380 0.03 1 120 75 47 SER CA C 60.700 0.12 1 121 76 48 GLN N N 120.800 0.15 1 122 76 48 GLN H H 7.600 0.03 1 123 76 48 GLN CA C 58.700 0.12 1 124 77 49 PHE N N 121.200 0.15 1 125 77 49 PHE H H 8.200 0.03 1 126 77 49 PHE CA C 59.200 0.12 1 127 78 50 GLU N N 120.500 0.15 1 128 78 50 GLU H H 8.460 0.03 1 129 78 50 GLU CA C 60.600 0.12 1 130 79 51 THR N N 115.500 0.15 1 131 79 51 THR H H 7.940 0.03 1 132 79 51 THR CA C 66.600 0.12 1 133 80 52 SER N N 119.600 0.15 1 134 80 52 SER H H 8.540 0.03 1 135 80 52 SER CA C 62.200 0.12 1 136 81 53 ALA N N 124.900 0.15 1 137 81 53 ALA H H 9.070 0.03 1 138 81 53 ALA CA C 55.200 0.12 1 139 82 54 ALA N N 119.600 0.15 1 140 82 54 ALA H H 7.990 0.03 1 141 82 54 ALA CA C 55.100 0.12 1 142 83 55 LYS N N 117.900 0.15 1 143 83 55 LYS H H 7.670 0.03 1 144 83 55 LYS CA C 59.500 0.12 1 145 84 56 LEU N N 121.800 0.15 1 146 84 56 LEU H H 8.280 0.03 1 147 84 56 LEU CA C 57.900 0.12 1 148 85 57 LYS N N 119.200 0.15 1 149 85 57 LYS H H 8.080 0.03 1 150 85 57 LYS CA C 59.100 0.12 1 151 86 58 ARG N N 116.000 0.15 1 152 86 58 ARG H H 7.430 0.03 1 153 86 58 ARG CA C 58.200 0.12 1 154 87 59 LYS N N 118.800 0.15 1 155 87 59 LYS H H 7.830 0.03 1 156 87 59 LYS CA C 58.300 0.12 1 157 89 61 TRP N N 119.500 0.15 1 158 89 61 TRP H H 7.820 0.03 1 159 89 61 TRP CA C 58.100 0.12 1 160 90 62 TRP N N 119.900 0.15 1 161 90 62 TRP H H 7.460 0.03 1 162 90 62 TRP CA C 57.600 0.12 1 163 93 65 LEU N N 127.300 0.15 1 164 93 65 LEU H H 7.610 0.03 1 165 93 65 LEU CA C 56.900 0.12 1 stop_ save_ save_nmr_parameters_2 _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 Syx _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 1 195 5 ILE N N 121.790 0.15 1 2 195 5 ILE H H 7.930 0.03 1 3 195 5 ILE CA C 64.100 0.12 1 4 196 6 GLU N N 122.650 0.15 1 5 196 6 GLU H H 8.720 0.03 1 6 196 6 GLU CA C 60.000 0.12 1 7 197 7 THR N N 117.900 0.15 1 8 197 7 THR H H 8.260 0.03 1 9 197 7 THR CA C 66.500 0.12 1 10 198 8 ARG N N 123.180 0.15 1 11 198 8 ARG H H 8.080 0.03 1 12 198 8 ARG CA C 59.400 0.12 1 13 199 9 HIS N N 119.300 0.15 1 14 199 9 HIS H H 8.400 0.03 1 15 199 9 HIS CA C 60.400 0.12 1 16 200 10 SER N N 113.620 0.15 1 17 200 10 SER H H 8.020 0.03 1 18 200 10 SER CA C 61.900 0.12 1 19 201 11 GLU N N 122.230 0.15 1 20 201 11 GLU H H 7.890 0.03 1 21 201 11 GLU CA C 59.600 0.12 1 22 202 12 ILE N N 125.220 0.15 1 23 202 12 ILE H H 8.530 0.03 1 24 202 12 ILE CA C 65.400 0.12 1 25 203 13 ILE N N 120.540 0.15 1 26 203 13 ILE H H 8.270 0.03 1 27 203 13 ILE CA C 62.700 0.12 1 28 204 14 LYS N N 121.590 0.15 1 29 204 14 LYS H H 7.650 0.03 1 30 204 14 LYS CA C 59.900 0.12 1 31 205 15 LEU N N 123.600 0.15 1 32 205 15 LEU H H 7.850 0.03 1 33 205 15 LEU CA C 57.900 0.12 1 34 206 16 GLU N N 123.030 0.15 1 35 206 16 GLU H H 9.000 0.03 1 36 206 16 GLU CA C 60.500 0.12 1 37 207 17 ASN N N 118.330 0.15 1 38 207 17 ASN H H 8.600 0.03 1 39 207 17 ASN CA C 56.700 0.12 1 40 208 18 SER N N 119.500 0.15 1 41 208 18 SER H H 8.290 0.03 1 42 208 18 SER CA C 62.700 0.12 1 43 209 19 ILE N N 124.520 0.15 1 44 209 19 ILE H H 8.700 0.03 1 45 209 19 ILE CA C 65.500 0.12 1 46 210 20 ARG N N 124.520 0.15 1 47 210 20 ARG H H 9.080 0.03 1 48 210 20 ARG CA C 60.700 0.12 1 49 211 21 GLU N N 120.850 0.15 1 50 211 21 GLU H H 7.720 0.03 1 51 211 21 GLU CA C 59.800 0.12 1 52 212 22 LEU N N 121.080 0.15 1 53 212 22 LEU H H 8.170 0.03 1 54 212 22 LEU CA C 58.400 0.12 1 55 213 23 HIS N N 120.570 0.15 1 56 213 23 HIS H H 9.190 0.03 1 57 213 23 HIS CA C 58.600 0.12 1 58 214 24 ASP N N 121.810 0.15 1 59 214 24 ASP H H 8.780 0.03 1 60 214 24 ASP CA C 57.700 0.12 1 61 215 25 MET N N 119.030 0.15 1 62 215 25 MET H H 7.900 0.03 1 63 215 25 MET CA C 59.800 0.12 1 64 216 26 PHE N N 118.820 0.15 1 65 216 26 PHE H H 8.290 0.03 1 66 216 26 PHE CA C 63.300 0.12 1 67 217 27 MET N N 118.690 0.15 1 68 217 27 MET H H 8.470 0.03 1 69 217 27 MET CA C 57.000 0.12 1 70 218 28 ASP N N 122.900 0.15 1 71 218 28 ASP H H 8.630 0.03 1 72 218 28 ASP CA C 57.300 0.12 1 73 219 29 MET N N 119.080 0.15 1 74 219 29 MET H H 8.300 0.03 1 75 219 29 MET CA C 57.600 0.12 1 76 220 30 ALA N N 120.540 0.15 1 77 220 30 ALA H H 7.500 0.03 1 78 220 30 ALA CA C 55.300 0.12 1 79 221 31 MET N N 118.630 0.15 1 80 221 31 MET H H 7.750 0.03 1 81 221 31 MET CA C 58.700 0.12 1 82 222 32 LEU N N 123.810 0.15 1 83 222 32 LEU H H 8.730 0.03 1 84 222 32 LEU CA C 58.300 0.12 1 85 223 33 VAL N N 120.210 0.15 1 86 223 33 VAL H H 8.550 0.03 1 87 223 33 VAL CA C 67.500 0.12 1 88 227 37 GLY N N 108.2 0.15 1 89 227 37 GLY H H 8.040 0.03 1 90 227 37 GLY CA C 47.600 0.12 1 91 228 38 GLU N N 120.970 0.15 1 92 228 38 GLU H H 7.480 0.03 1 93 228 38 GLU CA C 59.400 0.12 1 94 229 39 MET N N 118.030 0.15 1 95 229 39 MET H H 7.120 0.03 1 96 229 39 MET CA C 59.100 0.12 1 97 230 40 ILE N N 119.960 0.15 1 98 230 40 ILE H H 7.910 0.03 1 99 230 40 ILE CA C 66.200 0.12 1 100 231 41 ASP N N 120.240 0.15 1 101 231 41 ASP H H 8.460 0.03 1 102 231 41 ASP CA C 57.900 0.12 1 103 232 42 ARG N N 121.960 0.15 1 104 232 42 ARG H H 7.270 0.03 1 105 232 42 ARG CA C 59.900 0.12 1 106 233 43 ILE N N 121.730 0.15 1 107 233 43 ILE H H 8.600 0.03 1 108 233 43 ILE CA C 65.300 0.12 1 109 234 44 GLU N N 119.950 0.15 1 110 234 44 GLU H H 9.000 0.03 1 111 234 44 GLU CA C 60.000 0.12 1 112 235 45 TYR N N 120.270 0.15 1 113 235 45 TYR H H 8.020 0.03 1 114 235 45 TYR CA C 60.900 0.12 1 115 236 46 ASN N N 121.070 0.15 1 116 236 46 ASN H H 8.860 0.03 1 117 236 46 ASN CA C 56.400 0.12 1 118 237 47 VAL N N 122.950 0.15 1 119 237 47 VAL H H 9.140 0.03 1 120 237 47 VAL CA C 67.800 0.12 1 121 238 48 GLU N N 120.670 0.15 1 122 238 48 GLU H H 8.610 0.03 1 123 238 48 GLU CA C 60.100 0.12 1 124 239 49 HIS N N 116.640 0.15 1 125 239 49 HIS H H 7.800 0.03 1 126 239 49 HIS CA C 59.300 0.12 1 127 240 50 ALA N N 121.730 0.15 1 128 240 50 ALA H H 8.360 0.03 1 129 240 50 ALA CA C 56.100 0.12 1 130 241 51 VAL N N 118.160 0.15 1 131 241 51 VAL H H 8.670 0.03 1 132 241 51 VAL CA C 65.900 0.12 1 133 242 52 ASP N N 119.750 0.15 1 134 242 52 ASP H H 7.280 0.03 1 135 242 52 ASP CA C 57.300 0.12 1 136 243 53 TYR N N 118.420 0.15 1 137 243 53 TYR H H 8.450 0.03 1 138 243 53 TYR CA C 60.100 0.12 1 139 244 54 VAL CA C 67.700 0.12 1 140 245 55 GLU N N 120.660 0.15 1 141 245 55 GLU H H 8.590 0.03 1 142 245 55 GLU CA C 60.100 0.12 1 143 246 56 ARG N N 119.960 0.15 1 144 246 56 ARG H H 8.180 0.03 1 145 246 56 ARG CA C 59.800 0.12 1 146 247 57 ALA N N 123.260 0.15 1 147 247 57 ALA H H 8.240 0.03 1 148 247 57 ALA CA C 54.700 0.12 1 149 252 62 LYS CA C 56.400 0.12 1 150 253 63 LYS N N 112.360 0.15 1 151 253 63 LYS H H 7.850 0.03 1 152 253 63 LYS CA C 58.000 0.12 1 stop_ save_ save_nmr_parameters_3 _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 SNN _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 12 2 GLU CA C 57.900 0.12 1 2 13 3 GLU CA C 59.700 0.12 1 3 13 3 GLU N N 119.200 0.15 1 4 13 3 GLU H H 8.520 0.03 1 5 14 4 MET N N 120.000 0.15 1 6 14 4 MET H H 8.050 0.03 1 7 14 4 MET CA C 58.900 0.12 1 8 15 5 GLN N N 119.500 0.15 1 9 15 5 GLN H H 8.200 0.03 1 10 15 5 GLN CA C 58.500 0.12 1 11 16 6 ARG N N 119.300 0.15 1 12 16 6 ARG H H 8.060 0.03 1 13 16 6 ARG CA C 59.100 0.12 1 14 17 7 ARG N N 120.000 0.15 1 15 17 7 ARG H H 7.990 0.03 1 16 17 7 ARG CA C 58.700 0.12 1 17 18 8 ALA N N 121.600 0.15 1 18 18 8 ALA H H 8.260 0.03 1 19 18 8 ALA CA C 55.400 0.12 1 20 19 9 ASP N N 118.200 0.15 1 21 19 9 ASP H H 8.210 0.03 1 22 19 9 ASP CA C 57.500 0.12 1 23 20 10 GLN N N 119.500 0.15 1 24 20 10 GLN H H 8.020 0.03 1 25 20 10 GLN CA C 58.900 0.12 1 26 21 11 LEU N N 118.900 0.15 1 27 21 11 LEU H H 8.370 0.03 1 28 21 11 LEU CA C 57.500 0.12 1 29 22 12 ALA N N 123.200 0.15 1 30 22 12 ALA H H 8.350 0.03 1 31 22 12 ALA CA C 55.700 0.12 1 32 23 13 ASP N N 120.200 0.15 1 33 23 13 ASP H H 8.220 0.03 1 34 23 13 ASP CA C 57.800 0.12 1 35 24 14 GLU N N 120.200 0.15 1 36 24 14 GLU H H 8.390 0.03 1 37 24 14 GLU CA C 59.600 0.12 1 38 25 15 SER N N 119.700 0.15 1 39 25 15 SER H H 8.950 0.03 1 40 25 15 SER CA C 62.700 0.12 1 41 26 16 LEU N N 123.000 0.15 1 42 26 16 LEU H H 8.220 0.03 1 43 26 16 LEU CA C 58.500 0.12 1 44 27 17 GLU N N 120.700 0.15 1 45 27 17 GLU H H 8.550 0.03 1 46 27 17 GLU CA C 59.600 0.12 1 47 28 18 SER N N 113.800 0.15 1 48 28 18 SER H H 8.060 0.03 1 49 28 18 SER CA C 62.400 0.12 1 50 29 19 THR N N 108.600 0.15 1 51 29 19 THR H H 8.050 0.03 1 52 29 19 THR CA C 65.900 0.12 1 53 30 20 ARG N N 121.400 0.15 1 54 30 20 ARG H H 7.580 0.03 1 55 30 20 ARG CA C 59.900 0.12 1 56 31 21 ARG N N 121.100 0.15 1 57 31 21 ARG H H 8.210 0.03 1 58 31 21 ARG CA C 60.200 0.12 1 59 32 22 MET N N 116.600 0.15 1 60 32 22 MET H H 8.830 0.03 1 61 32 22 MET CA C 60.300 0.12 1 62 33 23 LEU N N 118.300 0.15 1 63 33 23 LEU H H 7.400 0.03 1 64 33 23 LEU CA C 57.800 0.12 1 65 34 24 GLN N N 118.000 0.15 1 66 34 24 GLN H H 7.240 0.03 1 67 34 24 GLN CA C 59.100 0.12 1 68 35 25 LEU N N 117.600 0.15 1 69 35 25 LEU H H 8.340 0.03 1 70 35 25 LEU CA C 57.900 0.12 1 71 36 26 VAL N N 116.200 0.15 1 72 36 26 VAL H H 8.910 0.03 1 73 36 26 VAL CA C 65.800 0.12 1 74 37 27 GLU N N 124.500 0.15 1 75 37 27 GLU H H 8.210 0.03 1 76 37 27 GLU CA C 60.300 0.12 1 77 38 28 GLU N N 118.500 0.15 1 78 38 28 GLU H H 8.190 0.03 1 79 38 28 GLU CA C 59.600 0.12 1 80 39 29 SER N N 115.400 0.15 1 81 39 29 SER H H 7.830 0.03 1 82 39 29 SER CA C 62.900 0.12 1 83 40 30 LYS N N 122.500 0.15 1 84 40 30 LYS H H 8.030 0.03 1 85 40 30 LYS CA C 59.400 0.12 1 86 41 31 ASP N N 118.600 0.15 1 87 41 31 ASP H H 7.720 0.03 1 88 41 31 ASP CA C 57.800 0.12 1 89 42 32 ALA N N 121.900 0.15 1 90 42 32 ALA H H 7.980 0.03 1 91 42 32 ALA CA C 55.200 0.12 1 92 43 33 GLY N N 110.800 0.15 1 93 43 33 GLY H H 9.110 0.03 1 94 43 33 GLY CA C 48.100 0.12 1 95 44 34 ILE N N 122.800 0.15 1 96 44 34 ILE H H 8.500 0.03 1 97 44 34 ILE CA C 65.300 0.12 1 98 45 35 ARG N N 117.800 0.15 1 99 45 35 ARG H H 8.000 0.03 1 100 45 35 ARG CA C 59.500 0.12 1 101 46 36 THR N N 116.900 0.15 1 102 46 36 THR H H 8.360 0.03 1 103 46 36 THR CA C 68.000 0.12 1 104 47 37 LEU N N 122.600 0.15 1 105 47 37 LEU H H 8.260 0.03 1 106 47 37 LEU CA C 59.000 0.12 1 107 48 38 VAL N N 120.600 0.15 1 108 48 38 VAL H H 8.200 0.03 1 109 48 38 VAL CA C 66.800 0.12 1 110 49 39 MET N N 118.800 0.15 1 111 49 39 MET H H 8.200 0.03 1 112 49 39 MET CA C 59.900 0.12 1 113 50 40 LEU N N 118.000 0.15 1 114 50 40 LEU H H 8.850 0.03 1 115 50 40 LEU CA C 58.500 0.12 1 116 51 41 ASP N N 120.900 0.15 1 117 51 41 ASP H H 7.950 0.03 1 118 51 41 ASP CA C 57.400 0.12 1 119 52 42 GLU N N 121.200 0.15 1 120 52 42 GLU H H 8.320 0.03 1 121 52 42 GLU CA C 59.800 0.12 1 122 53 43 GLN N N 119.700 0.15 1 123 53 43 GLN H H 9.100 0.03 1 124 53 43 GLN CA C 58.200 0.12 1 125 54 44 GLY N N 108.600 0.15 1 126 54 44 GLY H H 8.590 0.03 1 127 54 44 GLY CA C 47.300 0.12 1 128 55 45 GLU N N 122.100 0.15 1 129 55 45 GLU H H 7.640 0.03 1 130 55 45 GLU CA C 59.500 0.12 1 131 56 46 GLN N N 118.400 0.15 1 132 56 46 GLN H H 7.470 0.03 1 133 56 46 GLN CA C 59.800 0.12 1 134 57 47 LEU N N 119.000 0.15 1 135 57 47 LEU H H 8.500 0.03 1 136 57 47 LEU CA C 58.300 0.12 1 137 58 48 ASP N N 119.700 0.15 1 138 58 48 ASP H H 8.110 0.03 1 139 58 48 ASP CA C 57.800 0.12 1 140 59 49 ARG N N 120.900 0.15 1 141 59 49 ARG H H 7.760 0.03 1 142 59 49 ARG CA C 60.100 0.12 1 143 60 50 VAL N N 123.000 0.15 1 144 60 50 VAL H H 8.660 0.03 1 145 60 50 VAL CA C 66.400 0.12 1 146 61 51 GLU N N 122.100 0.15 1 147 61 51 GLU H H 8.950 0.03 1 148 61 51 GLU CA C 61.300 0.12 1 149 62 52 GLU N N 119.000 0.15 1 150 62 52 GLU H H 8.320 0.03 1 151 62 52 GLU CA C 59.100 0.12 1 152 63 53 GLY N N 109.300 0.15 1 153 63 53 GLY H H 8.430 0.03 1 154 63 53 GLY CA C 47.500 0.12 1 155 64 54 MET N N 118.100 0.15 1 156 64 54 MET H H 8.350 0.03 1 157 64 54 MET CA C 56.900 0.12 1 158 65 55 ASN N N 121.100 0.15 1 159 65 55 ASN H H 8.330 0.03 1 160 65 55 ASN CA C 55.600 0.12 1 161 66 56 HIS N N 122.800 0.15 1 162 66 56 HIS H H 8.770 0.03 1 163 66 56 HIS CA C 59.100 0.12 1 164 67 57 ILE N N 119.300 0.15 1 165 67 57 ILE H H 8.450 0.03 1 166 67 57 ILE CA C 65.500 0.12 1 167 68 58 ASN N N 118.000 0.15 1 168 68 58 ASN H H 7.670 0.03 1 169 68 58 ASN CA C 57.900 0.12 1 170 69 59 GLN N N 116.700 0.15 1 171 69 59 GLN H H 7.900 0.03 1 172 69 59 GLN CA C 58.800 0.12 1 173 70 60 ASP N N 121.600 0.15 1 174 70 60 ASP H H 8.540 0.03 1 175 70 60 ASP CA C 57.400 0.12 1 176 71 61 MET N N 117.100 0.15 1 177 71 61 MET H H 8.770 0.03 1 178 71 61 MET CA C 55.200 0.12 1 179 72 62 LYS N N 120.900 0.15 1 180 72 62 LYS H H 7.760 0.03 1 181 72 62 LYS CA C 60.100 0.12 1 182 73 63 GLU N N 119.900 0.15 1 183 73 63 GLU H H 7.440 0.03 1 184 73 63 GLU CA C 58.800 0.12 1 185 74 64 ALA N N 121.100 0.15 1 186 74 64 ALA H H 8.510 0.03 1 187 74 64 ALA CA C 55.300 0.12 1 188 75 65 GLU N N 115.500 0.15 1 189 75 65 GLU H H 8.310 0.03 1 190 75 65 GLU CA C 59.700 0.12 1 191 76 66 LYS N N 120.000 0.15 1 192 76 66 LYS H H 7.470 0.03 1 193 76 66 LYS CA C 59.400 0.12 1 194 77 67 ASN N N 118.600 0.15 1 195 77 67 ASN H H 8.400 0.03 1 196 77 67 ASN CA C 55.400 0.12 1 197 78 68 LEU N N 118.600 0.15 1 198 78 68 LEU H H 8.360 0.03 1 199 78 68 LEU CA C 57.400 0.12 1 200 79 69 LYS N N 119.700 0.15 1 201 79 69 LYS H H 7.710 0.03 1 202 79 69 LYS CA C 59.000 0.12 1 203 80 70 ASP N N 119.500 0.15 1 204 80 70 ASP H H 8.100 0.03 1 205 80 70 ASP CA C 56.000 0.12 1 206 81 71 LEU N N 119.300 0.15 1 207 81 71 LEU H H 7.590 0.03 1 208 81 71 LEU CA C 55.800 0.12 1 209 82 72 GLY N N 105.8 0.15 1 210 82 72 GLY H H 7.770 0.03 1 211 82 72 GLY CA C 45.500 0.12 1 212 83 73 TRP N N 126.300 0.15 1 213 83 73 TRP H H 7.600 0.03 1 214 83 73 TRP CA C 58.300 0.12 1 stop_ save_ save_nmr_parameters_4 _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 SNC _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 1 143 3 GLU N N 119.400 0.15 1 2 143 3 GLU H H 7.960 0.03 1 3 143 3 GLU CA C 59.200 0.12 1 4 144 4 ASN N N 117.400 0.15 1 5 144 4 ASN H H 8.420 0.03 1 6 144 4 ASN CA C 55.500 0.12 1 7 145 5 GLU N N 120.800 0.15 1 8 145 5 GLU H H 8.050 0.03 1 9 145 5 GLU CA C 59.300 0.12 1 10 146 6 MET N N 118.300 0.15 1 11 146 6 MET H H 8.220 0.03 1 12 146 6 MET CA C 60.200 0.12 1 13 147 7 ASP N N 117.800 0.15 1 14 147 7 ASP H H 7.900 0.03 1 15 147 7 ASP CA C 57.800 0.12 1 16 148 8 GLU N N 120.600 0.15 1 17 148 8 GLU H H 8.110 0.03 1 18 148 8 GLU CA C 59.300 0.12 1 19 149 9 ASN N N 120.000 0.15 1 20 149 9 ASN H H 9.020 0.03 1 21 149 9 ASN CA C 55.800 0.12 1 22 150 10 LEU N N 119.600 0.15 1 23 150 10 LEU H H 8.360 0.03 1 24 150 10 LEU CA C 58.200 0.12 1 25 151 11 GLU N N 121.600 0.15 1 26 151 11 GLU H H 8.310 0.03 1 27 151 11 GLU CA C 59.600 0.12 1 28 152 12 GLN N N 120.500 0.15 1 29 152 12 GLN H H 8.170 0.03 1 30 152 12 GLN CA C 59.000 0.12 1 31 153 13 VAL N N 120.000 0.15 1 32 153 13 VAL H H 8.690 0.03 1 33 153 13 VAL CA C 67.100 0.12 1 34 154 14 SER N N 112.600 0.15 1 35 154 14 SER H H 8.320 0.03 1 36 154 14 SER CA C 61.800 0.12 1 37 155 15 GLY N N 107.3 0.15 1 38 155 15 GLY H H 8.060 0.03 1 39 155 15 GLY CA C 47.100 0.12 1 40 156 16 ILE N N 122.900 0.15 1 41 156 16 ILE H H 8.090 0.03 1 42 156 16 ILE CA C 64.900 0.12 1 43 157 17 ILE N N 120.900 0.15 1 44 157 17 ILE H H 8.790 0.03 1 45 157 17 ILE CA C 63.900 0.12 1 46 158 18 GLY N N 105.8 0.15 1 47 158 18 GLY H H 7.790 0.03 1 48 158 18 GLY CA C 47.400 0.12 1 49 159 19 ASN N N 120.500 0.15 1 50 159 19 ASN H H 7.470 0.03 1 51 159 19 ASN CA C 56.300 0.12 1 52 160 20 LEU N N 120.000 0.15 1 53 160 20 LEU H H 8.820 0.03 1 54 160 20 LEU CA C 58.000 0.12 1 55 161 21 ARG N N 119.600 0.15 1 56 161 21 ARG H H 8.700 0.03 1 57 161 21 ARG CA C 60.500 0.12 1 58 162 22 HIS N N 116.500 0.15 1 59 162 22 HIS H H 7.320 0.03 1 60 162 22 HIS CA C 59.900 0.12 1 61 163 23 MET N N 117.300 0.15 1 62 163 23 MET H H 8.320 0.03 1 63 163 23 MET CA C 59.800 0.12 1 64 164 24 ALA N N 121.700 0.15 1 65 164 24 ALA H H 9.000 0.03 1 66 164 24 ALA CA C 55.200 0.12 1 67 165 25 LEU N N 121.000 0.15 1 68 165 25 LEU H H 8.300 0.03 1 69 165 25 LEU CA C 57.900 0.12 1 70 166 26 ASP N N 121.600 0.15 1 71 166 26 ASP H H 8.390 0.03 1 72 166 26 ASP CA C 57.800 0.12 1 73 167 27 MET N N 119.000 0.15 1 74 167 27 MET H H 8.940 0.03 1 75 167 27 MET CA C 59.600 0.12 1 76 168 28 GLY N N 105.8 0.15 1 77 168 28 GLY H H 7.730 0.03 1 78 168 28 GLY CA C 48.400 0.12 1 79 169 29 ASN N N 118.800 0.15 1 80 169 29 ASN H H 7.760 0.03 1 81 169 29 ASN CA C 56.400 0.12 1 82 170 30 GLU N N 121.600 0.15 1 83 170 30 GLU H H 8.260 0.03 1 84 170 30 GLU CA C 58.800 0.12 1 85 171 31 ILE N N 119.000 0.15 1 86 171 31 ILE H H 8.590 0.03 1 87 171 31 ILE CA C 66.100 0.12 1 88 172 32 ASP N N 119.300 0.15 1 89 172 32 ASP H H 8.310 0.03 1 90 172 32 ASP CA C 58.100 0.12 1 91 173 33 THR N N 116.300 0.15 1 92 173 33 THR H H 8.080 0.03 1 93 173 33 THR CA C 66.800 0.12 1 94 174 34 GLN N N 122.600 0.15 1 95 174 34 GLN H H 8.520 0.03 1 96 174 34 GLN CA C 59.900 0.12 1 97 175 35 ASN N N 121.300 0.15 1 98 175 35 ASN H H 8.980 0.03 1 99 175 35 ASN CA C 56.100 0.12 1 100 176 36 ARG N N 118.100 0.15 1 101 176 36 ARG H H 7.550 0.03 1 102 176 36 ARG CA C 59.100 0.12 1 103 177 37 GLN N N 122.100 0.15 1 104 177 37 GLN H H 7.930 0.03 1 105 177 37 GLN CA C 59.200 0.12 1 106 178 38 ILE N N 121.600 0.15 1 107 178 38 ILE H H 9.420 0.03 1 108 178 38 ILE CA C 66.700 0.12 1 109 179 39 ASP N N 119.700 0.15 1 110 179 39 ASP H H 7.860 0.03 1 111 179 39 ASP CA C 58.100 0.12 1 112 180 40 ARG N N 121.300 0.15 1 113 180 40 ARG H H 7.680 0.03 1 114 180 40 ARG CA C 59.800 0.12 1 115 181 41 ILE N N 120.400 0.15 1 116 181 41 ILE H H 9.000 0.03 1 117 181 41 ILE CA C 66.300 0.12 1 118 182 42 MET N N 120.000 0.15 1 119 182 42 MET H H 9.020 0.03 1 120 182 42 MET CA C 59.400 0.12 1 121 183 43 GLU N N 119.300 0.15 1 122 183 43 GLU H H 7.670 0.03 1 123 183 43 GLU CA C 59.500 0.12 1 124 187 47 SER N N 115.100 0.15 1 125 187 47 SER H H 7.990 0.03 1 126 187 47 SER CA C 61.300 0.12 1 127 188 48 ASN N N 118.300 0.15 1 128 188 48 ASN H H 8.620 0.03 1 129 188 48 ASN CA C 55.700 0.12 1 130 189 49 LYS N N 121.800 0.15 1 131 189 49 LYS H H 8.720 0.03 1 132 189 49 LYS CA C 59.900 0.12 1 133 190 50 THR N N 115.500 0.15 1 134 190 50 THR H H 8.100 0.03 1 135 190 50 THR CA C 66.600 0.12 1 136 191 51 ARG N N 120.000 0.15 1 137 191 51 ARG H H 7.860 0.03 1 138 191 51 ARG CA C 59.400 0.12 1 139 192 52 ILE N N 122.200 0.15 1 140 192 52 ILE H H 8.480 0.03 1 141 192 52 ILE CA C 65.900 0.12 1 142 193 53 ASP N N 121.000 0.15 1 143 193 53 ASP H H 8.720 0.03 1 144 193 53 ASP CA C 57.500 0.12 1 145 194 54 GLU N N 119.600 0.15 1 146 194 54 GLU H H 8.250 0.03 1 147 194 54 GLU CA C 59.600 0.12 1 148 195 55 ALA N N 123.200 0.15 1 149 195 55 ALA H H 7.990 0.03 1 150 195 55 ALA CA C 55.000 0.12 1 151 196 56 ASN N N 116.600 0.15 1 152 196 56 ASN H H 8.730 0.03 1 153 196 56 ASN CA C 57.000 0.12 1 154 197 57 GLN N N 120.800 0.15 1 155 197 57 GLN H H 8.260 0.03 1 156 197 57 GLN CA C 59.200 0.12 1 157 198 58 ARG N N 119.800 0.15 1 158 198 58 ARG H H 8.000 0.03 1 159 198 58 ARG CA C 59.200 0.12 1 160 199 59 ALA N N 119.800 0.15 1 161 199 59 ALA H H 8.690 0.03 1 162 199 59 ALA CA C 55.000 0.12 1 163 200 60 THR N N 111.200 0.15 1 164 200 60 THR H H 8.180 0.03 1 165 200 60 THR CA C 66.400 0.12 1 166 201 61 LYS N N 120.100 0.15 1 167 201 61 LYS H H 7.410 0.03 1 168 201 61 LYS CA C 58.300 0.12 1 169 202 62 MET N N 115.800 0.15 1 170 202 62 MET H H 7.500 0.03 1 171 202 62 MET CA C 56.600 0.12 1 172 203 63 LEU N N 119.800 0.15 1 173 203 63 LEU H H 7.470 0.03 1 174 203 63 LEU CA C 55.400 0.12 1 175 204 64 TRP N N 125.300 0.15 1 176 204 64 TRP H H 7.250 0.03 1 177 204 64 TRP CA C 58.700 0.12 1 stop_ save_