data_6715 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the Membrane Protein Stannin ; _BMRB_accession_number 6715 _BMRB_flat_file_name bmr6715.str _Entry_type original _Submission_date 2005-06-30 _Accession_date 2005-07-21 _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 Buck-Koehntop B. A. . 2 Mascioni A. . . 3 Buffy J. J. . 4 Veglia G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 165 "13C chemical shifts" 170 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-29 original author . stop_ _Original_release_date 2007-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure, Dynamics, and Membrane Topology of Stannin: A Mediator of Neuronal Cell Apoptosis Induced by Trimethyltin Chloride. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16246365 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buck-Koehntop B. A. . 2 Mascioni A. . . 3 Buffy J. J. . 4 Veglia G. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 354 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 652 _Page_last 665 _Year 2005 _Details . loop_ _Keyword helix stop_ save_ ################################## # Molecular system description # ################################## save_system_Stannin _Saveframe_category molecular_system _Mol_system_name Stannin _Abbreviation_common Stannin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Stannin $Stannin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Stannin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Stannin _Abbreviation_common Stannin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSMSIMDHSPTTGVVTVIVI LIAIAALGALILGCWCYLRL QRISQSEDEESIVGDGETKE PFLLVQYSAKGPCVERKAKL MTPNGPEVHG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 SER 5 ILE 6 MET 7 ASP 8 HIS 9 SER 10 PRO 11 THR 12 THR 13 GLY 14 VAL 15 VAL 16 THR 17 VAL 18 ILE 19 VAL 20 ILE 21 LEU 22 ILE 23 ALA 24 ILE 25 ALA 26 ALA 27 LEU 28 GLY 29 ALA 30 LEU 31 ILE 32 LEU 33 GLY 34 CYS 35 TRP 36 CYS 37 TYR 38 LEU 39 ARG 40 LEU 41 GLN 42 ARG 43 ILE 44 SER 45 GLN 46 SER 47 GLU 48 ASP 49 GLU 50 GLU 51 SER 52 ILE 53 VAL 54 GLY 55 ASP 56 GLY 57 GLU 58 THR 59 LYS 60 GLU 61 PRO 62 PHE 63 LEU 64 LEU 65 VAL 66 GLN 67 TYR 68 SER 69 ALA 70 LYS 71 GLY 72 PRO 73 CYS 74 VAL 75 GLU 76 ARG 77 LYS 78 ALA 79 LYS 80 LEU 81 MET 82 THR 83 PRO 84 ASN 85 GLY 86 PRO 87 GLU 88 VAL 89 HIS 90 GLY 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 1ZZA "Solution Nmr Structure Of The Membrane Protein Stannin" 100.00 90 100.00 100.00 5.09e-58 DBJ BAE29024 "unnamed protein product [Mus musculus]" 97.78 88 97.73 97.73 5.25e-55 DBJ BAI46912 "stannin [synthetic construct]" 97.78 88 100.00 100.00 1.33e-56 EMBL CAB82314 "hypothetical protein [Homo sapiens]" 97.78 88 100.00 100.00 1.33e-56 EMBL CAG46924 "SNN [Homo sapiens]" 97.78 88 100.00 100.00 1.33e-56 EMBL CAG46935 "SNN [Homo sapiens]" 97.78 88 100.00 100.00 1.33e-56 EMBL CAL37610 "hypothetical protein [synthetic construct]" 97.78 88 100.00 100.00 1.33e-56 GB AAC28427 "stannin [Homo sapiens]" 97.78 88 100.00 100.00 1.33e-56 GB AAC28428 "stannin [Mus musculus]" 97.78 88 97.73 97.73 5.25e-55 GB AAC83231 "stannin [Homo sapiens]" 97.78 88 100.00 100.00 1.33e-56 GB AAH06961 "Stannin [Mus musculus]" 97.78 88 97.73 97.73 5.25e-55 GB AAH17685 "Stannin [Mus musculus]" 97.78 88 97.73 97.73 5.25e-55 REF NP_001029255 "stannin [Rattus norvegicus]" 97.78 88 97.73 97.73 5.25e-55 REF NP_001107194 "stannin [Bos taurus]" 96.67 87 98.85 98.85 2.72e-53 REF NP_001180368 "stannin [Macaca mulatta]" 97.78 88 100.00 100.00 1.33e-56 REF NP_003489 "stannin [Homo sapiens]" 97.78 88 100.00 100.00 1.33e-56 REF NP_033249 "stannin [Mus musculus]" 97.78 88 97.73 97.73 5.25e-55 SP O75324 "RecName: Full=Stannin; AltName: Full=AG8_1 [Homo sapiens]" 97.78 88 100.00 100.00 1.33e-56 SP P61807 "RecName: Full=Stannin [Mus musculus]" 97.78 88 97.73 97.73 5.25e-55 SP P61808 "RecName: Full=Stannin [Rattus norvegicus]" 97.78 88 97.73 97.73 5.25e-55 SP Q17Q87 "RecName: Full=Stannin [Bos taurus]" 96.67 87 98.85 98.85 2.72e-53 TPG DAA15615 "TPA: stannin [Bos taurus]" 96.67 87 98.85 98.85 2.72e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Stannin Human 9606 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 _Details $Stannin 'recombinant technology' . . . . . ; The gene encoding for stannin was inserted in the pMal-c2e DNA plasmid and the protein expressed in the BL21(DE3) strain of E. coli. ; 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Stannin . mM 0.5 0.7 [U-15N] 'phosphate buffer' 20 mM . . . 'd25-sodium dodecyl sulfate' 600 mM . . . 'sodium azide' 0.02 % . . . DTT 0.7 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Stannin . mM 0.5 0.7 '[U-13C; U-15N]' 'phosphate buffer' 20 mM . . . 'd25-sodium dodecyl sulfate' 600 mM . . . 'sodium azide' 0.02 % . . . DTT 0.7 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1c loop_ _Task collection stop_ _Details Varian save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 97.027.12.56 loop_ _Task processing stop_ _Details 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.111 loop_ _Task 'data analysis' stop_ _Details 'Goddard and Kneller' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 2.11 loop_ _Task 'structure solution, refinement' stop_ _Details 'Schwieters, Kuszewski, Tjandra and Clore' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 . pH temperature 333 . K 'ionic strength' 120 . mM pressure 1 . atm 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 . . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 external . . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 external . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Stannin _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 . 3 MET H H 8.2 . . 2 . 3 MET N N 121.6 . . 3 . 3 MET CA C 56.4 . . 4 . 3 MET C C 174.4 . . 5 . 3 MET HA H 4.6 . . 6 . 4 SER H H 8.1 . . 7 . 4 SER N N 116.8 . . 8 . 4 SER CA C 58.9 . . 9 . 4 SER HA H 4.6 . . 10 . 4 SER C C 176.0 . . 11 . 5 ILE H H 7.9 . . 12 . 5 ILE N N 121.4 . . 13 . 5 ILE CA C 63.1 . . 14 . 5 ILE HA H 4.1 . . 15 . 5 ILE C C 175.3 . . 16 . 6 MET H H 7.9 . . 17 . 6 MET N N 118.5 . . 18 . 6 MET CA C 56.4 . . 19 . 6 MET HA H 4.5 . . 20 . 6 MET C C 176.3 . . 21 . 7 ASP H H 8.0 . . 22 . 7 ASP N N 117.7 . . 23 . 7 ASP CA C 53.8 . . 24 . 7 ASP HA H 4.7 . . 25 . 7 ASP C C 176.6 . . 26 . 8 HIS H H 7.9 . . 27 . 8 HIS N N 117.0 . . 28 . 8 HIS CA C 55.6 . . 29 . 8 HIS HA H 4.8 . . 30 . 8 HIS C C 175.0 . . 31 . 9 SER H H 8.0 . . 32 . 9 SER N N 116.4 . . 33 . 9 SER CA C 56.6 . . 34 . 9 SER HA H 4.5 . . 35 . 9 SER C C 173.5 . . 36 . 10 PRO HA H 4.7 . . 37 . 10 PRO CA C 63.9 . . 38 . 11 THR H H 7.8 . . 39 . 11 THR N N 112.6 . . 40 . 11 THR CA C 62.5 . . 41 . 11 THR HA H 4.5 . . 42 . 11 THR C C 176.8 . . 43 . 12 THR N N 115.2 . . 44 . 12 THR CA C 63.8 . . 45 . 12 THR HA H 4.3 . . 46 . 12 THR C C 175.1 . . 47 . 13 GLY H H 8.3 . . 48 . 13 GLY N N 111.4 . . 49 . 13 GLY CA C 47.2 . . 50 . 13 GLY HA2 H 4.1 . . 51 . 13 GLY C C 176.1 . . 52 . 14 VAL H H 7.8 . . 53 . 14 VAL N N 120.0 . . 54 . 14 VAL CA C 66.2 . . 55 . 14 VAL HA H 3.9 . . 56 . 14 VAL C C 174.5 . . 57 . 15 VAL H H 7.7 . . 58 . 15 VAL N N 118.8 . . 59 . 15 VAL CA C 67.0 . . 60 . 15 VAL C C 176.8 . . 61 . 15 VAL HA H 3.7 . . 62 . 16 THR H H 7.6 . . 63 . 16 THR N N 115.3 . . 64 . 16 THR CA C 67.7 . . 65 . 16 THR HA H 3.8 . . 66 . 16 THR C C 176.6 . . 67 . 17 VAL H H 7.5 . . 68 . 17 VAL N N 118.6 . . 69 . 17 VAL CA C 67.3 . . 70 . 17 VAL HA H 3.6 . . 71 . 17 VAL C C 175.3 . . 72 . 18 ILE H H 7.8 . . 73 . 18 ILE N N 118.8 . . 74 . 18 ILE CA C 65.7 . . 75 . 18 ILE HA H 3.7 . . 76 . 18 ILE C C 177.9 . . 77 . 19 VAL H H 8.1 . . 78 . 19 VAL N N 118.4 . . 79 . 19 VAL CA C 67.7 . . 80 . 19 VAL HA H 3.7 . . 81 . 19 VAL C C 177.2 . . 82 . 20 ILE H H 7.8 . . 83 . 20 ILE N N 118.8 . . 84 . 20 ILE CA C 65.8 . . 85 . 20 ILE HA H 3.7 . . 86 . 20 ILE C C 177.5 . . 87 . 21 LEU H H 8.1 . . 88 . 21 LEU N N 119.5 . . 89 . 21 LEU CA C 58.9 . . 90 . 21 LEU HA H 4.1 . . 91 . 21 LEU C C 177.1 . . 92 . 22 ILE H H 8.2 . . 93 . 22 ILE N N 118.1 . . 94 . 22 ILE CA C 65.4 . . 95 . 22 ILE HA H 3.7 . . 96 . 22 ILE C C 178.5 . . 97 . 23 ALA H H 8.3 . . 98 . 23 ALA N N 122.2 . . 99 . 23 ALA CA C 56.1 . . 100 . 23 ALA HA H 4.0 . . 101 . 23 ALA C C 177.0 . . 102 . 24 ILE H H 8.3 . . 103 . 24 ILE N N 116.7 . . 104 . 24 ILE CA C 65.4 . . 105 . 24 ILE HA H 3.7 . . 106 . 24 ILE C C 179.1 . . 107 . 25 ALA H H 8.3 . . 108 . 25 ALA N N 122.8 . . 109 . 25 ALA CA C 55.6 . . 110 . 25 ALA HA H 4.0 . . 111 . 25 ALA C C 177.5 . . 112 . 26 ALA H H 8.6 . . 113 . 26 ALA N N 119.3 . . 114 . 26 ALA CA C 55.6 . . 115 . 26 ALA HA H 4.0 . . 116 . 26 ALA C C 178.7 . . 117 . 27 LEU H H 8.3 . . 118 . 27 LEU N N 117.8 . . 119 . 27 LEU CA C 58.3 . . 120 . 27 LEU HA H 4.1 . . 121 . 27 LEU C C 179.0 . . 122 . 28 GLY H H 8.8 . . 123 . 28 GLY N N 106.8 . . 124 . 28 GLY CA C 47.8 . . 125 . 28 GLY HA2 H 3.6 . . 126 . 28 GLY C C 179.3 . . 127 . 29 ALA H H 8.5 . . 128 . 29 ALA N N 123.8 . . 129 . 29 ALA CA C 55.8 . . 130 . 29 ALA HA H 4.1 . . 131 . 29 ALA C C 174.6 . . 132 . 30 LEU H H 8.2 . . 133 . 30 LEU N N 118.5 . . 134 . 30 LEU CA C 58.8 . . 135 . 30 LEU C C 179.3 . . 136 . 30 LEU HA H 4.1 . . 137 . 31 ILE H H 8.5 . . 138 . 31 ILE N N 120.2 . . 139 . 31 ILE CA C 66.3 . . 140 . 31 ILE HA H 3.7 . . 141 . 31 ILE C C 179.2 . . 142 . 32 LEU H H 8.6 . . 143 . 32 LEU N N 120.5 . . 144 . 32 LEU CA C 58.7 . . 145 . 32 LEU HA H 4.3 . . 146 . 32 LEU C C 178.0 . . 147 . 33 GLY H H 9.1 . . 148 . 33 GLY N N 108.8 . . 149 . 33 GLY CA C 48.2 . . 150 . 33 GLY HA2 H 3.9 . . 151 . 33 GLY C C 180.7 . . 152 . 34 CYS H H 8.6 . . 153 . 34 CYS N N 121.2 . . 154 . 34 CYS CA C 64.8 . . 155 . 34 CYS HA H 4.3 . . 156 . 34 CYS C C 175.2 . . 157 . 35 TRP H H 8.8 . . 158 . 35 TRP N N 121.4 . . 159 . 35 TRP CA C 61.9 . . 160 . 35 TRP C C 176.6 . . 161 . 35 TRP HA H 4.4 . . 162 . 36 CYS H H 8.9 . . 163 . 36 CYS N N 117.2 . . 164 . 36 CYS CA C 64.5 . . 165 . 36 CYS HA H 3.9 . . 166 . 36 CYS C C 178.0 . . 167 . 37 TYR H H 8.5 . . 168 . 37 TYR N N 120.4 . . 169 . 37 TYR CA C 62.5 . . 170 . 37 TYR HA H 4.1 . . 171 . 37 TYR C C 176.6 . . 172 . 38 LEU H H 8.5 . . 173 . 38 LEU N N 119.6 . . 174 . 38 LEU CA C 58.2 . . 175 . 38 LEU HA H 3.9 . . 176 . 38 LEU C C 177.5 . . 177 . 39 ARG H H 8.2 . . 178 . 39 ARG N N 119.6 . . 179 . 39 ARG CA C 58.9 . . 180 . 39 ARG HA H 4.5 . . 181 . 39 ARG C C 180.4 . . 182 . 40 LEU H H 8.0 . . 183 . 40 LEU N N 120.0 . . 184 . 40 LEU CA C 57.7 . . 185 . 40 LEU HA H 4.1 . . 186 . 40 LEU C C 178.6 . . 187 . 41 GLN H H 7.9 . . 188 . 41 GLN N N 118.2 . . 189 . 41 GLN CA C 57.9 . . 190 . 41 GLN HA H 4.5 . . 191 . 41 GLN C C 179.4 . . 192 . 42 ARG H H 7.8 . . 193 . 42 ARG N N 119.0 . . 194 . 42 ARG CA C 58.3 . . 195 . 42 ARG HA H 4.3 . . 196 . 42 ARG C C 177.1 . . 197 . 43 ILE H H 7.8 . . 198 . 43 ILE N N 119.5 . . 199 . 43 ILE CA C 63.5 . . 200 . 43 ILE HA H 4.1 . . 201 . 43 ILE C C 176.7 . . 202 . 44 SER H H 7.9 . . 203 . 44 SER N N 117.2 . . 204 . 44 SER CA C 60.1 . . 205 . 44 SER HA H 4.5 . . 206 . 44 SER C C 177.6 . . 207 . 45 GLN H H 7.9 . . 208 . 45 GLN N N 121.1 . . 209 . 45 GLN CA C 57.0 . . 210 . 45 GLN HA H 4.5 . . 211 . 45 GLN C C 175.6 . . 212 . 46 SER H H 7.9 . . 213 . 46 SER N N 116.0 . . 214 . 46 SER CA C 59.4 . . 215 . 46 SER HA H 4.5 . . 216 . 46 SER C C 176.8 . . 217 . 47 GLU H H 8.0 . . 218 . 47 GLU N N 121.8 . . 219 . 47 GLU CA C 56.6 . . 220 . 47 GLU HA H 4.5 . . 221 . 48 ASP H H 8.1 . . 222 . 48 ASP N N 120.8 . . 223 . 48 ASP CA C 53.7 . . 224 . 48 ASP HA H 4.8 . . 225 . 48 ASP C C 175.3 . . 226 . 49 GLU H H 8.1 . . 227 . 49 GLU N N 120.9 . . 228 . 49 GLU CA C 56.5 . . 229 . 49 GLU HA H 4.5 . . 230 . 49 GLU C C 176.0 . . 231 . 50 GLU H H 8.2 . . 232 . 50 GLU N N 119.7 . . 233 . 50 GLU CA C 56.6 . . 234 . 50 GLU HA H 4.5 . . 235 . 50 GLU C C 176.1 . . 236 . 51 SER H H 8.0 . . 237 . 51 SER N N 116.6 . . 238 . 51 SER CA C 58.6 . . 239 . 51 SER HA H 4.6 . . 240 . 51 SER C C 175.9 . . 241 . 52 ILE H H 8.0 . . 242 . 52 ILE N N 122.3 . . 243 . 52 ILE CA C 62.6 . . 244 . 52 ILE HA H 4.3 . . 245 . 52 ILE C C 174.7 . . 246 . 53 VAL H H 7.7 . . 247 . 53 VAL N N 120.4 . . 248 . 53 VAL CA C 62.7 . . 249 . 53 VAL HA H 4.3 . . 250 . 53 VAL C C 176.1 . . 251 . 54 GLY H H 8.1 . . 252 . 54 GLY N N 111.7 . . 253 . 54 GLY CA C 45.7 . . 254 . 54 GLY HA2 H 4.1 . . 255 . 54 GLY C C 176.6 . . 256 . 55 ASP H H 8.1 . . 257 . 55 ASP N N 119.8 . . 258 . 55 ASP CA C 53.7 . . 259 . 55 ASP HA H 4.8 . . 260 . 55 ASP C C 174.4 . . 261 . 56 GLY H H 8.3 . . 262 . 56 GLY N N 109.6 . . 263 . 56 GLY CA C 46.3 . . 264 . 56 GLY C C 176.1 . . 265 . 56 GLY HA2 H 4.1 . . 266 . 57 GLU H H 8.0 . . 267 . 57 GLU N N 119.9 . . 268 . 57 GLU CA C 56.5 . . 269 . 57 GLU HA H 4.5 . . 270 . 57 GLU C C 174.4 . . 271 . 58 THR H H 8.0 . . 272 . 58 THR N N 115.2 . . 273 . 58 THR CA C 62.4 . . 274 . 58 THR C C 176.2 . . 275 . 58 THR HA H 4.5 . . 276 . 59 LYS H H 8.0 . . 277 . 59 LYS N N 123.5 . . 278 . 59 LYS CA C 56.6 . . 279 . 59 LYS HA H 4.4 . . 280 . 59 LYS C C 174.3 . . 281 . 60 GLU H H 8.0 . . 282 . 60 GLU N N 121.3 . . 283 . 60 GLU CA C 54.7 . . 284 . 60 GLU HA H 4.7 . . 285 . 60 GLU C C 175.0 . . 286 . 61 PRO HA H 4.3 . . 287 . 61 PRO CA C 64.3 . . 288 . 62 PHE H H 7.9 . . 289 . 62 PHE N N 119.6 . . 290 . 62 PHE CA C 59.6 . . 291 . 62 PHE HA H 4.5 . . 292 . 62 PHE C C 176.8 . . 293 . 63 LEU N N 120.4 . . 294 . 63 LEU CA C 57.2 . . 295 . 63 LEU HA H 4.3 . . 296 . 63 LEU C C 176.5 . . 297 . 64 LEU H H 7.6 . . 298 . 64 LEU N N 118.5 . . 299 . 64 LEU CA C 57.1 . . 300 . 64 LEU HA H 4.3 . . 301 . 64 LEU C C 177.8 . . 302 . 65 VAL H H 7.5 . . 303 . 65 VAL N N 117.8 . . 304 . 65 VAL CA C 64.5 . . 305 . 65 VAL HA H 4.0 . . 306 . 65 VAL C C 178.2 . . 307 . 66 GLN H H 7.9 . . 308 . 66 GLN N N 120.1 . . 309 . 66 GLN CA C 57.4 . . 310 . 66 GLN HA H 4.3 . . 311 . 66 GLN C C 177.1 . . 312 . 67 TYR H H 7.8 . . 313 . 67 TYR N N 119.9 . . 314 . 67 TYR CA C 59.5 . . 315 . 67 TYR HA H 4.5 . . 316 . 67 TYR C C 178.4 . . 317 . 68 SER H H 7.8 . . 318 . 68 SER N N 115.8 . . 319 . 68 SER CA C 59.5 . . 320 . 68 SER HA H 4.5 . . 321 . 68 SER C C 176.2 . . 322 . 69 ALA H H 7.8 . . 323 . 69 ALA N N 125.0 . . 324 . 69 ALA CA C 53.3 . . 325 . 69 ALA HA H 4.4 . . 326 . 69 ALA C C 174.6 . . 327 . 70 LYS H H 7.8 . . 328 . 70 LYS N N 118.5 . . 329 . 70 LYS CA C 56.6 . . 330 . 70 LYS HA H 4.4 . . 331 . 70 LYS C C 177.7 . . 332 . 71 GLY H H 7.9 . . 333 . 71 GLY N N 108.7 . . 334 . 71 GLY CA C 45.6 . . 335 . 71 GLY HA2 H 4.1 . . 336 . 71 GLY C C 176.7 . . 337 . 72 PRO CA C 64.0 . . 338 . 73 CYS H H 8.1 . . 339 . 73 CYS N N 118.5 . . 340 . 73 CYS CA C 59.9 . . 341 . 73 CYS C C 177.0 . . 342 . 73 CYS HA H 4.5 . . 343 . 74 VAL N N 120.5 . . 344 . 74 VAL CA C 63.8 . . 345 . 74 VAL HA H 4.2 . . 346 . 74 VAL C C 175.1 . . 347 . 75 GLU H H 8.1 . . 348 . 75 GLU N N 121.9 . . 349 . 75 GLU CA C 57.0 . . 350 . 75 GLU HA H 4.4 . . 351 . 75 GLU C C 176.2 . . 352 . 76 ARG H H 7.9 . . 353 . 76 ARG N N 120.7 . . 354 . 76 ARG CA C 57.4 . . 355 . 76 ARG HA H 4.4 . . 356 . 76 ARG C C 176.3 . . 357 . 77 LYS H H 7.9 . . 358 . 77 LYS N N 120.6 . . 359 . 77 LYS CA C 57.6 . . 360 . 77 LYS HA H 4.3 . . 361 . 77 LYS C C 176.7 . . 362 . 78 ALA H H 7.9 . . 363 . 78 ALA N N 122.6 . . 364 . 78 ALA CA C 53.6 . . 365 . 78 ALA HA H 4.3 . . 366 . 78 ALA C C 176.7 . . 367 . 79 LYS H H 7.8 . . 368 . 79 LYS N N 118.5 . . 369 . 79 LYS CA C 57.2 . . 370 . 79 LYS HA H 4.3 . . 371 . 79 LYS C C 177.7 . . 372 . 80 LEU H H 7.8 . . 373 . 80 LEU N N 120.5 . . 374 . 80 LEU CA C 56.2 . . 375 . 80 LEU HA H 4.3 . . 376 . 80 LEU C C 176.8 . . 377 . 81 MET H H 7.7 . . 378 . 81 MET N N 118.1 . . 379 . 81 MET CA C 55.6 . . 380 . 81 MET HA H 4.6 . . 381 . 81 MET C C 176.9 . . 382 . 82 THR H H 7.7 . . 383 . 82 THR N N 114.5 . . 384 . 82 THR CA C 59.8 . . 385 . 82 THR HA H 4.6 . . 386 . 82 THR C C 175.4 . . 387 . 83 PRO HA H 4.5 . . 388 . 83 PRO CA C 64.1 . . 389 . 84 ASN H H 8.1 . . 390 . 84 ASN N N 117.5 . . 391 . 84 ASN CA C 53.4 . . 392 . 84 ASN HA H 4.9 . . 393 . 84 ASN C C 176.6 . . 394 . 85 GLY N N 109.0 . . 395 . 85 GLY CA C 45.3 . . 396 . 85 GLY HA2 H 4.2 . . 397 . 85 GLY C C 175.2 . . 398 . 86 PRO HA H 4.5 . . 399 . 86 PRO CA C 63.7 . . 400 . 87 GLU H H 8.2 . . 401 . 87 GLU N N 119.9 . . 402 . 87 GLU CA C 56.1 . . 403 . 87 GLU C C 176.8 . . 404 . 87 GLU HA H 4.6 . . 405 . 88 VAL N N 119.7 . . 406 . 88 VAL CA C 62.8 . . 407 . 88 VAL HA H 4.2 . . 408 . 88 VAL C C 175.8 . . 409 . 89 HIS H H 8.1 . . 410 . 89 HIS N N 120.4 . . 411 . 89 HIS CA C 55.3 . . 412 . 89 HIS HA H 4.8 . . 413 . 89 HIS C C 175.5 . . 414 . 90 GLY H H 7.9 . . 415 . 90 GLY N N 114.2 . . 416 . 90 GLY CA C 44.7 . . 417 . 90 GLY HA2 H 4.1 . . 418 . 90 GLY C C 174.2 . . stop_ save_