data_16866 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; VAMP7(1-118):ISOLATED LONGIN DOMAIN ; _BMRB_accession_number 16866 _BMRB_flat_file_name bmr16866.str _Entry_type original _Submission_date 2010-04-14 _Accession_date 2010-04-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H{15N}-heteronuclear single-quantum coherence (HSQC) spectrum of the isolated longin domain of VAMP7' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vivona Sandro . . 2 Liu Corey W. . 3 Strop Pavel . . 4 Rossi Valeria . . 5 Filippini Francesco . . 6 Brunger Axel T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 108 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-09 update BMRB 'complete entry citation' 2010-04-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16867 VAMP7(1-180) stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The longin SNARE VAMP7/TI-VAMP adopts a closed conformation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20378544 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vivona Sandro . . 2 Liu Corey W. . 3 Strop Pavel . . 4 Rossi Valeria . . 5 Filippini Francesco . . 6 Brunger Axel T. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17965 _Page_last 17973 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VAMP7(1-118) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VAMP7(1-118) $VAMP7(1-118) stop_ _System_molecular_weight 13500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'A single monomeric polypeptide chain of VAMP7(1-118)' save_ ######################## # Monomeric polymers # ######################## save_VAMP7(1-118) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VAMP7(1-118) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GPGMAILFAVVARGTTILAK HAWCGGNFLEVTEQILAKIP SENNKLTYSHGNYLFHYICQ DRIVYLCITDDDFERSRAFN FLNEIKKRFQTTYGSRAQTA LPYAMNSEFSSVLAAQLKHH S ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 PRO 3 0 GLY 4 1 MET 5 2 ALA 6 3 ILE 7 4 LEU 8 5 PHE 9 6 ALA 10 7 VAL 11 8 VAL 12 9 ALA 13 10 ARG 14 11 GLY 15 12 THR 16 13 THR 17 14 ILE 18 15 LEU 19 16 ALA 20 17 LYS 21 18 HIS 22 19 ALA 23 20 TRP 24 21 CYS 25 22 GLY 26 23 GLY 27 24 ASN 28 25 PHE 29 26 LEU 30 27 GLU 31 28 VAL 32 29 THR 33 30 GLU 34 31 GLN 35 32 ILE 36 33 LEU 37 34 ALA 38 35 LYS 39 36 ILE 40 37 PRO 41 38 SER 42 39 GLU 43 40 ASN 44 41 ASN 45 42 LYS 46 43 LEU 47 44 THR 48 45 TYR 49 46 SER 50 47 HIS 51 48 GLY 52 49 ASN 53 50 TYR 54 51 LEU 55 52 PHE 56 53 HIS 57 54 TYR 58 55 ILE 59 56 CYS 60 57 GLN 61 58 ASP 62 59 ARG 63 60 ILE 64 61 VAL 65 62 TYR 66 63 LEU 67 64 CYS 68 65 ILE 69 66 THR 70 67 ASP 71 68 ASP 72 69 ASP 73 70 PHE 74 71 GLU 75 72 ARG 76 73 SER 77 74 ARG 78 75 ALA 79 76 PHE 80 77 ASN 81 78 PHE 82 79 LEU 83 80 ASN 84 81 GLU 85 82 ILE 86 83 LYS 87 84 LYS 88 85 ARG 89 86 PHE 90 87 GLN 91 88 THR 92 89 THR 93 90 TYR 94 91 GLY 95 92 SER 96 93 ARG 97 94 ALA 98 95 GLN 99 96 THR 100 97 ALA 101 98 LEU 102 99 PRO 103 100 TYR 104 101 ALA 105 102 MET 106 103 ASN 107 104 SER 108 105 GLU 109 106 PHE 110 107 SER 111 108 SER 112 109 VAL 113 110 LEU 114 111 ALA 115 112 ALA 116 113 GLN 117 114 LEU 118 115 LYS 119 116 HIS 120 117 HIS 121 118 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 BMRB 16867 VAMP7(1-180) 100.00 183 100.00 100.00 8.68e-86 PDB 2DMW "Solution Structure Of The Longin Domain Of Synaptobrevin- Like Protein 1" 98.35 131 99.16 99.16 3.30e-82 PDB 2VX8 "Vamp7 Longin Domain Hrb Peptide Complex" 98.35 169 98.32 100.00 1.85e-82 PDB 4AFI "Complex Between Vamp7 Longin Domain And Fragment Of Delta- Adaptin From Ap3" 98.35 173 97.48 99.16 3.12e-81 PDB 4B93 "Complex Of Vamp7 Cytoplasmic Domain With 2nd Ankyrin Repeat Domain Of Varp" 98.35 189 97.48 99.16 6.15e-82 DBJ BAB22386 "unnamed protein product [Mus musculus]" 97.52 220 98.31 100.00 4.89e-81 DBJ BAB27667 "unnamed protein product [Mus musculus]" 97.52 220 98.31 100.00 4.89e-81 DBJ BAC40712 "unnamed protein product [Mus musculus]" 97.52 220 98.31 100.00 4.89e-81 DBJ BAD96514 "synaptobrevin-like 1 variant [Homo sapiens]" 97.52 220 99.15 99.15 1.45e-80 DBJ BAE38126 "unnamed protein product [Mus musculus]" 97.52 220 98.31 100.00 4.89e-81 EMBL CAA63133 "ORF [Homo sapiens]" 97.52 220 100.00 100.00 8.47e-82 EMBL CAA65509 "synaptobrevin-like protein [Mus musculus]" 97.52 220 98.31 100.00 4.89e-81 EMBL CAB94231 "synaptobrevin-like protein [Mus musculus]" 97.52 220 98.31 100.00 4.89e-81 EMBL CAB96816 "synaptobrevin-like 1 protein [Homo sapiens]" 97.52 220 100.00 100.00 8.47e-82 EMBL CAC16891 "synaptobrevin like protein 1B [Homo sapiens]" 97.52 260 100.00 100.00 5.18e-80 GB AAF88059 "vesicle-associated membrane protein 7 [Rattus norvegicus]" 97.52 220 98.31 99.15 8.71e-81 GB AAH03764 "Vesicle-associated membrane protein 7 [Mus musculus]" 97.52 220 98.31 100.00 4.89e-81 GB AAH56141 "Vesicle-associated membrane protein 7 [Homo sapiens]" 97.52 220 100.00 100.00 8.47e-82 GB AAI18342 "Vesicle-associated membrane protein 7 [Bos taurus]" 97.52 220 100.00 100.00 1.08e-81 GB ABK42476 "VAMP7 [synthetic construct]" 97.52 220 98.31 100.00 4.89e-81 REF NP_001026292 "vesicle-associated membrane protein 7 [Gallus gallus]" 97.52 220 98.31 100.00 3.81e-81 REF NP_001069770 "vesicle-associated membrane protein 7 [Bos taurus]" 97.52 220 100.00 100.00 1.08e-81 REF NP_001124684 "vesicle-associated membrane protein 7 [Pongo abelii]" 97.52 220 99.15 99.15 6.63e-81 REF NP_001159676 "vesicle-associated membrane protein 7 [Ovis aries]" 97.52 220 100.00 100.00 8.47e-82 REF NP_001172112 "vesicle-associated membrane protein 7 isoform 3 [Homo sapiens]" 97.52 260 100.00 100.00 5.18e-80 SP P51809 "RecName: Full=Vesicle-associated membrane protein 7; Short=VAMP-7; AltName: Full=Synaptobrevin-like protein 1; AltName: Full=Te" 97.52 220 100.00 100.00 8.47e-82 SP P70280 "RecName: Full=Vesicle-associated membrane protein 7; Short=VAMP-7; AltName: Full=Synaptobrevin-like protein 1" 97.52 220 98.31 100.00 4.89e-81 SP Q17QI5 "RecName: Full=Vesicle-associated membrane protein 7; Short=VAMP-7; AltName: Full=Synaptobrevin-like protein 1" 97.52 220 100.00 100.00 1.08e-81 SP Q5RF94 "RecName: Full=Vesicle-associated membrane protein 7; Short=VAMP-7; AltName: Full=Synaptobrevin-like protein 1" 97.52 220 99.15 99.15 6.63e-81 SP Q5ZL74 "RecName: Full=Vesicle-associated membrane protein 7; AltName: Full=Synaptobrevin-like protein 1" 97.52 220 98.31 100.00 3.81e-81 TPG DAA13239 "TPA: vesicle-associated membrane protein 7-like [Bos taurus]" 94.21 163 100.00 100.00 1.74e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $VAMP7(1-118) 'E. coli' 562 Eubacteria . Escherichia coli BL21 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 $VAMP7(1-118) 'recombinant technology' . Escherichia coli . pET47b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM potassium phoshpate pH 6.5, 100 mM sodium chloride, 1 mM Dithiothreitol. 18 uM protein concentration. Acquisition temperature 25 C' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VAMP7(1-118) 18 uM '[U-100% 15N]' D2O 10 % 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' Dithiothreitol 1 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM potassium phoshpate pH 6.5, 100 mM sodium chloride, 1 mM Dithiothreitol. 18 uM protein concentration. Acquisition temperature 25 C' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water H 1 protons ppm 4.77 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name VAMP7(1-118) _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 1 4 MET H H 8.455 . 1 2 1 4 MET N N 117.973 . 1 3 2 5 ALA H H 8.528 . 1 4 2 5 ALA N N 124.046 . 1 5 3 6 ILE H H 7.121 . 1 6 3 6 ILE N N 117.866 . 1 7 4 7 LEU H H 8.231 . 1 8 4 7 LEU N N 122.253 . 1 9 5 8 PHE H H 7.170 . 1 10 5 8 PHE N N 116.588 . 1 11 6 9 ALA H H 8.354 . 1 12 6 9 ALA N N 126.444 . 1 13 7 10 VAL H H 9.007 . 1 14 7 10 VAL N N 112.707 . 1 15 8 11 VAL H H 8.167 . 1 16 8 11 VAL N N 120.428 . 1 17 9 12 ALA H H 9.497 . 1 18 9 12 ALA N N 129.916 . 1 19 10 13 ARG H H 8.761 . 1 20 10 13 ARG N N 120.810 . 1 21 11 14 GLY H H 8.391 . 1 22 11 14 GLY N N 118.494 . 1 23 12 15 THR H H 8.217 . 1 24 12 15 THR N N 113.468 . 1 25 13 16 THR H H 8.469 . 1 26 13 16 THR N N 120.106 . 1 27 14 17 ILE H H 8.613 . 1 28 14 17 ILE N N 129.050 . 1 29 15 18 LEU H H 9.246 . 1 30 15 18 LEU N N 125.554 . 1 31 16 19 ALA H H 7.665 . 1 32 16 19 ALA N N 116.059 . 1 33 17 20 LYS H H 8.956 . 1 34 17 20 LYS N N 115.477 . 1 35 18 21 HIS H H 8.297 . 1 36 18 21 HIS N N 116.074 . 1 37 19 22 ALA H H 7.545 . 1 38 19 22 ALA N N 126.328 . 1 39 20 23 TRP H H 8.329 . 1 40 20 23 TRP N N 120.672 . 1 41 20 23 TRP HE1 H 10.319 . 1 42 20 23 TRP NE1 N 128.191 . 1 43 21 24 CYS H H 8.028 . 1 44 21 24 CYS N N 114.163 . 1 45 22 25 GLY H H 8.544 . 1 46 22 25 GLY N N 107.349 . 1 47 23 26 GLY H H 7.961 . 1 48 23 26 GLY N N 106.793 . 1 49 24 27 ASN H H 8.220 . 1 50 24 27 ASN N N 119.042 . 1 51 25 28 PHE H H 7.409 . 1 52 25 28 PHE N N 117.775 . 1 53 26 29 LEU H H 8.330 . 1 54 26 29 LEU N N 122.781 . 1 55 27 30 GLU H H 8.223 . 1 56 27 30 GLU N N 117.724 . 1 57 28 31 VAL H H 7.739 . 1 58 28 31 VAL N N 115.392 . 1 59 29 32 THR H H 7.903 . 1 60 29 32 THR N N 117.985 . 1 61 30 33 GLU H H 8.520 . 1 62 30 33 GLU N N 119.448 . 1 63 31 34 GLN H H 7.345 . 1 64 31 34 GLN N N 116.017 . 1 65 32 35 ILE H H 7.645 . 1 66 32 35 ILE N N 119.646 . 1 67 33 36 LEU H H 8.681 . 1 68 33 36 LEU N N 118.326 . 1 69 34 37 ALA H H 7.046 . 1 70 34 37 ALA N N 115.873 . 1 71 35 38 LYS H H 7.471 . 1 72 35 38 LYS N N 114.618 . 1 73 36 39 ILE H H 6.916 . 1 74 36 39 ILE N N 121.509 . 1 75 38 41 SER H H 8.570 . 1 76 38 41 SER N N 113.833 . 1 77 39 42 GLU H H 7.440 . 1 78 39 42 GLU N N 119.156 . 1 79 40 43 ASN H H 8.884 . 1 80 40 43 ASN N N 120.385 . 1 81 41 44 ASN H H 8.724 . 1 82 41 44 ASN N N 118.745 . 1 83 42 45 LYS H H 8.089 . 1 84 42 45 LYS N N 118.426 . 1 85 43 46 LEU H H 8.299 . 1 86 43 46 LEU N N 123.996 . 1 87 44 47 THR H H 7.463 . 1 88 44 47 THR N N 116.099 . 1 89 45 48 TYR H H 9.658 . 1 90 45 48 TYR N N 127.864 . 1 91 46 49 SER H H 8.411 . 1 92 46 49 SER N N 119.426 . 1 93 47 50 HIS H H 8.633 . 1 94 47 50 HIS N N 124.054 . 1 95 48 51 GLY H H 8.665 . 1 96 48 51 GLY N N 116.081 . 1 97 49 52 ASN H H 8.671 . 1 98 49 52 ASN N N 119.938 . 1 99 50 53 TYR H H 7.956 . 1 100 50 53 TYR N N 115.677 . 1 101 51 54 LEU H H 8.587 . 1 102 51 54 LEU N N 119.410 . 1 103 52 55 PHE H H 9.089 . 1 104 52 55 PHE N N 120.120 . 1 105 53 56 HIS H H 8.987 . 1 106 53 56 HIS N N 122.106 . 1 107 54 57 TYR H H 9.529 . 1 108 54 57 TYR N N 117.524 . 1 109 55 58 ILE H H 9.167 . 1 110 55 58 ILE N N 116.536 . 1 111 56 59 CYS H H 9.462 . 1 112 56 59 CYS N N 126.356 . 1 113 57 60 GLN H H 9.701 . 1 114 57 60 GLN N N 128.781 . 1 115 58 61 ASP H H 9.376 . 1 116 58 61 ASP N N 130.220 . 1 117 59 62 ARG H H 8.876 . 1 118 59 62 ARG N N 105.539 . 1 119 60 63 ILE H H 7.769 . 1 120 60 63 ILE N N 121.122 . 1 121 61 64 VAL H H 9.222 . 1 122 61 64 VAL N N 125.548 . 1 123 62 65 TYR H H 9.221 . 1 124 62 65 TYR N N 126.166 . 1 125 63 66 LEU H H 8.900 . 1 126 63 66 LEU N N 124.954 . 1 127 64 67 CYS H H 9.885 . 1 128 64 67 CYS N N 117.773 . 1 129 65 68 ILE H H 8.261 . 1 130 65 68 ILE N N 119.388 . 1 131 66 69 THR H H 9.090 . 1 132 66 69 THR N N 115.135 . 1 133 67 70 ASP H H 8.948 . 1 134 67 70 ASP N N 117.420 . 1 135 68 71 ASP H H 8.526 . 1 136 68 71 ASP N N 117.716 . 1 137 69 72 ASP H H 8.412 . 1 138 69 72 ASP N N 116.284 . 1 139 70 73 PHE H H 7.210 . 1 140 70 73 PHE N N 121.526 . 1 141 71 74 GLU H H 7.846 . 1 142 71 74 GLU N N 127.674 . 1 143 72 75 ARG H H 8.686 . 1 144 72 75 ARG N N 127.141 . 1 145 73 76 SER H H 8.940 . 1 146 73 76 SER N N 112.888 . 1 147 74 77 ARG H H 7.159 . 1 148 74 77 ARG N N 120.456 . 1 149 75 78 ALA H H 7.585 . 1 150 75 78 ALA N N 121.541 . 1 151 76 79 PHE H H 7.979 . 1 152 76 79 PHE N N 113.332 . 1 153 77 80 ASN H H 8.232 . 1 154 77 80 ASN N N 119.936 . 1 155 78 81 PHE H H 7.500 . 1 156 78 81 PHE N N 120.001 . 1 157 79 82 LEU H H 8.330 . 1 158 79 82 LEU N N 117.323 . 1 159 80 83 ASN H H 8.587 . 1 160 80 83 ASN N N 116.079 . 1 161 81 84 GLU H H 7.666 . 1 162 81 84 GLU N N 119.145 . 1 163 82 85 ILE H H 7.904 . 1 164 82 85 ILE N N 116.252 . 1 165 83 86 LYS H H 8.263 . 1 166 83 86 LYS N N 122.223 . 1 167 84 87 LYS H H 7.662 . 1 168 84 87 LYS N N 117.233 . 1 169 85 88 ARG H H 7.743 . 1 170 85 88 ARG N N 117.200 . 1 171 86 89 PHE H H 9.408 . 1 172 86 89 PHE N N 122.547 . 1 173 87 90 GLN H H 9.131 . 1 174 87 90 GLN N N 116.967 . 1 175 88 91 THR H H 7.989 . 1 176 88 91 THR N N 112.773 . 1 177 89 92 THR H H 7.714 . 1 178 89 92 THR N N 115.265 . 1 179 90 93 TYR H H 7.772 . 1 180 90 93 TYR N N 114.556 . 1 181 91 94 GLY H H 7.821 . 1 182 91 94 GLY N N 107.652 . 1 183 93 96 ARG H H 8.275 . 1 184 93 96 ARG N N 121.919 . 1 185 94 97 ALA H H 7.611 . 1 186 94 97 ALA N N 117.203 . 1 187 95 98 GLN H H 7.748 . 1 188 95 98 GLN N N 110.784 . 1 189 97 100 ALA H H 7.150 . 1 190 97 100 ALA N N 124.758 . 1 191 98 101 LEU H H 8.233 . 1 192 98 101 LEU N N 121.325 . 1 193 103 106 ASN H H 7.917 . 1 194 103 106 ASN N N 119.855 . 1 195 105 108 GLU H H 8.297 . 1 196 105 108 GLU N N 118.110 . 1 197 106 109 PHE H H 8.927 . 1 198 106 109 PHE N N 117.219 . 1 199 107 110 SER H H 8.606 . 1 200 107 110 SER N N 114.736 . 1 201 108 111 SER H H 7.561 . 1 202 108 111 SER N N 112.963 . 1 203 109 112 VAL H H 7.016 . 1 204 109 112 VAL N N 124.330 . 1 205 110 113 LEU H H 7.456 . 1 206 110 113 LEU N N 117.388 . 1 207 112 115 ALA H H 7.709 . 1 208 112 115 ALA N N 118.330 . 1 209 113 116 GLN H H 8.183 . 1 210 113 116 GLN N N 115.040 . 1 211 115 118 LYS H H 7.660 . 1 212 115 118 LYS N N 118.335 . 1 213 116 119 HIS H H 7.998 . 1 214 116 119 HIS N N 117.184 . 1 215 118 121 SER H H 7.754 . 1 216 118 121 SER N N 121.196 . 1 stop_ save_