data_7013 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C resonance assignments for Bcl-xL protein 38 kDa dimer ; _BMRB_accession_number 7013 _BMRB_flat_file_name bmr7013.str _Entry_type original _Submission_date 2006-03-01 _Accession_date 2006-03-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Symmetric Bcl-xL protein dimerization by alpha-helix swapping' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Denisov Alexey . . 2 Gehring Kalle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 170 "13C chemical shifts" 432 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-08 update BMRB 'complete entry citation' 2007-11-16 update BMRB 'update entry citation' 2006-03-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Heat-induced dimerization of Bcl-xL through alpha-helix swapping' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17223694 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Denisov Alexey . . 2 Sprules Tara . . 3 Fraser James . . 4 Kozlov Guennadi . . 5 Gehring Kalle . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 734 _Page_last 740 _Year 2007 _Details . loop_ _Keyword apoptosis Bcl-xL deuteration dimer NMR swapping stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title 'Symmetric Bcl-xL protein dimerization by alpha-helix swapping' _Citation_status published _Citation_type abstract _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Denisov Alexey . . 2 Gehring Kalle . . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title ANZMAG-2006 _Conference_site 'Murramarang National Park' _Conference_state_province 'New South Wales' _Conference_country Australia _Conference_start_date 2006-02-12 _Conference_end_date 2006-02-16 _Conference_abstract_number O46 _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bcl-xL dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Bcl-xL, chain 1' $Bcl-xL 'Bcl-xL, chain 2' $Bcl-xL stop_ _System_molecular_weight 38000 _System_physical_state native _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Bcl-xL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bcl-xL _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; SQSNRELVVDFLSYKLSQRG YSWSQFSDVEENRTEAPEET EAEAVKQALREAGDEFELRY RRAFSDLTSQLHITPGTAYQ SFEQVVNELFRDGVNWGRIV AFFSFGGALCVESVDKEMQV LVSRIASWMATYLNDHLEPW IQENGGWDTFVDLYGLEHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLN 3 SER 4 ASN 5 ARG 6 GLU 7 LEU 8 VAL 9 VAL 10 ASP 11 PHE 12 LEU 13 SER 14 TYR 15 LYS 16 LEU 17 SER 18 GLN 19 ARG 20 GLY 21 TYR 22 SER 23 TRP 24 SER 25 GLN 26 PHE 27 SER 28 ASP 29 VAL 30 GLU 31 GLU 32 ASN 33 ARG 34 THR 35 GLU 36 ALA 37 PRO 38 GLU 39 GLU 40 THR 41 GLU 42 ALA 43 GLU 44 ALA 45 VAL 46 LYS 47 GLN 48 ALA 49 LEU 50 ARG 51 GLU 52 ALA 53 GLY 54 ASP 55 GLU 56 PHE 57 GLU 58 LEU 59 ARG 60 TYR 61 ARG 62 ARG 63 ALA 64 PHE 65 SER 66 ASP 67 LEU 68 THR 69 SER 70 GLN 71 LEU 72 HIS 73 ILE 74 THR 75 PRO 76 GLY 77 THR 78 ALA 79 TYR 80 GLN 81 SER 82 PHE 83 GLU 84 GLN 85 VAL 86 VAL 87 ASN 88 GLU 89 LEU 90 PHE 91 ARG 92 ASP 93 GLY 94 VAL 95 ASN 96 TRP 97 GLY 98 ARG 99 ILE 100 VAL 101 ALA 102 PHE 103 PHE 104 SER 105 PHE 106 GLY 107 GLY 108 ALA 109 LEU 110 CYS 111 VAL 112 GLU 113 SER 114 VAL 115 ASP 116 LYS 117 GLU 118 MET 119 GLN 120 VAL 121 LEU 122 VAL 123 SER 124 ARG 125 ILE 126 ALA 127 SER 128 TRP 129 MET 130 ALA 131 THR 132 TYR 133 LEU 134 ASN 135 ASP 136 HIS 137 LEU 138 GLU 139 PRO 140 TRP 141 ILE 142 GLN 143 GLU 144 ASN 145 GLY 146 GLY 147 TRP 148 ASP 149 THR 150 PHE 151 VAL 152 ASP 153 LEU 154 TYR 155 GLY 156 LEU 157 GLU 158 HIS 159 HIS 160 HIS 161 HIS 162 HIS 163 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 DBJ BAE87681 "unnamed protein product [Macaca fascicularis]" 50.31 148 97.56 100.00 4.51e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bcl-xL Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Bcl-xL 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pET-29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '10%/90% D2O/H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 1 mM '[U-99% 13C; U-99% 15N; U-80% 2D]' 'phosphate buffer' 25 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N-TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N-TROSY-HSQC _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_3D-NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-NOESY-HSQC _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 303 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N-TROSY-HSQC stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Bcl-xL, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLN C C 176.3 0.20 1 2 2 2 GLN CA C 56.0 0.20 1 3 3 3 SER H H 8.62 0.01 1 4 3 3 SER C C 175.9 0.20 1 5 3 3 SER CA C 58.5 0.20 1 6 3 3 SER CB C 63.0 0.20 1 7 3 3 SER N N 116.6 0.25 1 8 4 4 ASN H H 8.63 0.01 1 9 4 4 ASN C C 177.5 0.20 1 10 4 4 ASN CA C 55.7 0.20 1 11 4 4 ASN CB C 37.4 0.20 1 12 4 4 ASN N N 121.6 0.25 1 13 5 5 ARG H H 8.27 0.01 1 14 5 5 ARG C C 177.6 0.20 1 15 5 5 ARG CA C 59.6 0.20 1 16 5 5 ARG CB C 28.9 0.20 1 17 5 5 ARG N N 119.5 0.25 1 18 6 6 GLU H H 7.92 0.01 1 19 6 6 GLU C C 179.4 0.20 1 20 6 6 GLU CA C 58.9 0.20 1 21 6 6 GLU CB C 28.5 0.20 1 22 6 6 GLU N N 117.0 0.25 1 23 7 7 LEU H H 7.67 0.01 1 24 7 7 LEU C C 178.5 0.20 1 25 7 7 LEU CA C 57.7 0.20 1 26 7 7 LEU CB C 40.8 0.20 1 27 7 7 LEU N N 119.1 0.25 1 28 8 8 VAL H H 7.75 0.01 1 29 8 8 VAL HG1 H 1.06 0.01 2 30 8 8 VAL C C 177.4 0.20 1 31 8 8 VAL CA C 66.7 0.20 1 32 8 8 VAL CB C 31.5 0.20 1 33 8 8 VAL N N 117.0 0.25 1 34 9 9 VAL H H 8.50 0.01 1 35 9 9 VAL HG1 H 1.03 0.01 2 36 9 9 VAL C C 178.4 0.20 1 37 9 9 VAL CA C 66.5 0.20 1 38 9 9 VAL CB C 31.0 0.20 1 39 9 9 VAL N N 116.5 0.25 1 40 10 10 ASP H H 7.99 0.01 1 41 10 10 ASP C C 177.4 0.20 1 42 10 10 ASP CA C 58.3 0.20 1 43 10 10 ASP CB C 42.5 0.20 1 44 10 10 ASP N N 120.0 0.25 1 45 11 11 PHE H H 8.33 0.01 1 46 11 11 PHE C C 178.1 0.20 1 47 11 11 PHE CA C 62.6 0.20 1 48 11 11 PHE CB C 39.4 0.20 1 49 11 11 PHE N N 120.0 0.25 1 50 12 12 LEU H H 8.93 0.01 1 51 12 12 LEU C C 179.1 0.20 1 52 12 12 LEU CA C 58.0 0.20 1 53 12 12 LEU CB C 40.5 0.20 1 54 12 12 LEU N N 116.0 0.25 1 55 13 13 SER H H 8.59 0.01 1 56 13 13 SER C C 177.3 0.20 1 57 13 13 SER CA C 62.1 0.20 1 58 13 13 SER N N 113.0 0.25 1 59 14 14 TYR H H 8.39 0.01 1 60 14 14 TYR C C 178.2 0.20 1 61 14 14 TYR CA C 59.8 0.20 1 62 14 14 TYR CB C 37.5 0.20 1 63 14 14 TYR N N 123.4 0.25 1 64 15 15 LYS H H 8.35 0.01 1 65 15 15 LYS C C 180.4 0.20 1 66 15 15 LYS CA C 56.7 0.20 1 67 15 15 LYS CB C 29.1 0.20 1 68 15 15 LYS N N 119.5 0.25 1 69 16 16 LEU H H 8.66 0.01 1 70 16 16 LEU C C 179.8 0.20 1 71 16 16 LEU CA C 58.2 0.20 1 72 16 16 LEU CB C 39.8 0.20 1 73 16 16 LEU N N 119.3 0.25 1 74 17 17 SER H H 8.29 0.01 1 75 17 17 SER C C 178.3 0.20 1 76 17 17 SER CA C 61.4 0.20 1 77 17 17 SER CB C 62.2 0.20 1 78 17 17 SER N N 116.9 0.25 1 79 18 18 GLN H H 7.70 0.01 1 80 18 18 GLN C C 177.3 0.20 1 81 18 18 GLN CA C 57.9 0.20 1 82 18 18 GLN CB C 28.2 0.20 1 83 18 18 GLN N N 121.9 0.25 1 84 19 19 ARG H H 7.32 0.01 1 85 19 19 ARG C C 175.2 0.20 1 86 19 19 ARG CA C 53.7 0.20 1 87 19 19 ARG CB C 29.4 0.20 1 88 19 19 ARG N N 116.7 0.25 1 89 20 20 GLY H H 7.50 0.01 1 90 20 20 GLY C C 173.8 0.20 1 91 20 20 GLY CA C 44.6 0.20 1 92 20 20 GLY N N 104.6 0.25 1 93 21 21 TYR H H 7.83 0.01 1 94 21 21 TYR C C 175.1 0.20 1 95 21 21 TYR CA C 55.9 0.20 1 96 21 21 TYR CB C 39.1 0.20 1 97 21 21 TYR N N 119.4 0.25 1 98 22 22 SER H H 8.23 0.01 1 99 22 22 SER C C 173.0 0.20 1 100 22 22 SER CA C 57.2 0.20 1 101 22 22 SER CB C 63.0 0.20 1 102 22 22 SER N N 117.2 0.25 1 103 23 23 TRP H H 8.37 0.01 1 104 23 23 TRP HE1 H 9.77 0.01 1 105 23 23 TRP C C 175.3 0.20 1 106 23 23 TRP CA C 57.3 0.20 1 107 23 23 TRP CB C 29.9 0.20 1 108 23 23 TRP N N 125.4 0.25 1 109 23 23 TRP NE1 N 128.4 0.25 1 110 24 24 SER H H 7.96 0.01 1 111 24 24 SER C C 173.4 0.20 1 112 24 24 SER CA C 57.7 0.20 1 113 24 24 SER CB C 63.3 0.20 1 114 24 24 SER N N 118.8 0.25 1 115 25 25 GLN H H 7.65 0.01 1 116 25 25 GLN C C 175.1 0.20 1 117 25 25 GLN CA C 55.5 0.20 1 118 25 25 GLN CB C 28.4 0.20 1 119 25 25 GLN N N 120.4 0.25 1 120 26 26 PHE H H 7.93 0.01 1 121 26 26 PHE C C 175.5 0.20 1 122 26 26 PHE CA C 56.9 0.20 1 123 26 26 PHE CB C 39.1 0.20 1 124 26 26 PHE N N 120.2 0.25 1 125 27 27 SER H H 8.04 0.01 1 126 27 27 SER C C 173.8 0.20 1 127 27 27 SER CA C 57.9 0.20 1 128 27 27 SER CB C 63.5 0.20 1 129 27 27 SER N N 116.4 0.25 1 130 28 28 ASP H H 8.30 0.01 1 131 28 28 ASP C C 176.1 0.20 1 132 28 28 ASP CA C 54.0 0.20 1 133 28 28 ASP CB C 40.6 0.20 1 134 28 28 ASP N N 122.0 0.25 1 135 29 29 VAL H H 7.92 0.01 1 136 29 29 VAL HG1 H 0.85 0.01 2 137 29 29 VAL C C 176.2 0.20 1 138 29 29 VAL CA C 61.9 0.20 1 139 29 29 VAL CB C 32.1 0.20 1 140 29 29 VAL N N 118.5 0.25 1 141 30 30 GLU H H 8.34 0.01 1 142 30 30 GLU C C 176.5 0.20 1 143 30 30 GLU CA C 56.3 0.20 1 144 30 30 GLU CB C 29.3 0.20 1 145 30 30 GLU N N 123.2 0.25 1 146 31 31 GLU H H 8.30 0.01 1 147 31 31 GLU C C 176.0 0.20 1 148 31 31 GLU CA C 56.5 0.20 1 149 31 31 GLU CB C 29.6 0.20 1 150 31 31 GLU N N 120.9 0.25 1 151 32 32 ASN H H 8.41 0.01 1 152 32 32 ASN C C 174.8 0.20 1 153 32 32 ASN CA C 53.0 0.20 1 154 32 32 ASN CB C 38.2 0.20 1 155 32 32 ASN N N 118.7 0.25 1 156 33 33 ARG H H 8.22 0.01 1 157 33 33 ARG C C 176.4 0.20 1 158 33 33 ARG CA C 55.7 0.20 1 159 33 33 ARG CB C 29.9 0.20 1 160 33 33 ARG N N 121.3 0.25 1 161 34 34 THR H H 8.25 0.01 1 162 34 34 THR C C 174.4 0.20 1 163 34 34 THR CA C 61.6 0.20 1 164 34 34 THR CB C 69.3 0.20 1 165 34 34 THR N N 115.3 0.25 1 166 35 35 GLU H H 8.31 0.01 1 167 35 35 GLU C C 175.5 0.20 1 168 35 35 GLU CA C 55.8 0.20 1 169 35 35 GLU CB C 29.6 0.20 1 170 35 35 GLU N N 122.2 0.25 1 171 36 36 ALA H H 8.27 0.01 1 172 36 36 ALA HB H 1.32 0.01 1 173 36 36 ALA CA C 50.2 0.20 1 174 36 36 ALA CB C 17.9 0.20 1 175 36 36 ALA N N 125.7 0.25 1 176 37 37 PRO C C 177.1 0.20 1 177 37 37 PRO CA C 62.8 0.20 1 178 38 38 GLU H H 8.56 0.01 1 179 38 38 GLU C C 176.7 0.20 1 180 38 38 GLU CA C 56.5 0.20 1 181 38 38 GLU CB C 29.3 0.20 1 182 38 38 GLU N N 119.9 0.25 1 183 39 39 GLU H H 8.41 0.01 1 184 39 39 GLU C C 176.7 0.20 1 185 39 39 GLU CA C 56.3 0.20 1 186 39 39 GLU CB C 29.3 0.20 1 187 39 39 GLU N N 121.8 0.25 1 188 40 40 THR H H 8.22 0.01 1 189 40 40 THR C C 175.4 0.20 1 190 40 40 THR CA C 62.1 0.20 1 191 40 40 THR CB C 69.2 0.20 1 192 40 40 THR N N 114.9 0.25 1 193 41 41 GLU H H 8.68 0.01 1 194 41 41 GLU C C 177.0 0.20 1 195 41 41 GLU CA C 57.2 0.20 1 196 41 41 GLU CB C 28.8 0.20 1 197 41 41 GLU N N 122.6 0.25 1 198 42 42 ALA H H 8.27 0.01 1 199 42 42 ALA HB H 1.36 0.01 1 200 42 42 ALA C C 178.7 0.20 1 201 42 42 ALA CA C 53.2 0.20 1 202 42 42 ALA CB C 18.2 0.20 1 203 42 42 ALA N N 122.8 0.25 1 204 43 43 GLU H H 8.14 0.01 1 205 43 43 GLU C C 178.1 0.20 1 206 43 43 GLU CA C 58.6 0.20 1 207 43 43 GLU CB C 28.5 0.20 1 208 43 43 GLU N N 118.7 0.25 1 209 44 44 ALA H H 8.12 0.01 1 210 44 44 ALA HB H 1.44 0.01 1 211 44 44 ALA C C 180.3 0.20 1 212 44 44 ALA CA C 54.8 0.20 1 213 44 44 ALA CB C 17.7 0.20 1 214 44 44 ALA N N 120.4 0.25 1 215 45 45 VAL H H 7.52 0.01 1 216 45 45 VAL HG1 H 0.96 0.01 2 217 45 45 VAL C C 176.9 0.20 1 218 45 45 VAL CA C 65.4 0.20 1 219 45 45 VAL CB C 29.1 0.20 1 220 45 45 VAL N N 117.9 0.25 1 221 46 46 LYS H H 7.56 0.01 1 222 46 46 LYS C C 179.0 0.20 1 223 46 46 LYS CA C 59.2 0.20 1 224 46 46 LYS CB C 31.6 0.20 1 225 46 46 LYS N N 117.5 0.25 1 226 47 47 GLN H H 8.02 0.01 1 227 47 47 GLN C C 177.7 0.20 1 228 47 47 GLN CA C 58.5 0.20 1 229 47 47 GLN CB C 27.5 0.20 1 230 47 47 GLN N N 115.6 0.25 1 231 48 48 ALA H H 7.79 0.01 1 232 48 48 ALA HB H 1.37 0.01 1 233 48 48 ALA C C 179.5 0.20 1 234 48 48 ALA CA C 54.4 0.20 1 235 48 48 ALA CB C 18.1 0.20 1 236 48 48 ALA N N 120.2 0.25 1 237 49 49 LEU H H 8.51 0.01 1 238 49 49 LEU C C 179.5 0.20 1 239 49 49 LEU CA C 58.0 0.20 1 240 49 49 LEU CB C 41.4 0.20 1 241 49 49 LEU N N 119.6 0.25 1 242 50 50 ARG H H 8.19 0.01 1 243 50 50 ARG C C 178.6 0.20 1 244 50 50 ARG CA C 60.4 0.20 1 245 50 50 ARG CB C 28.9 0.20 1 246 50 50 ARG N N 118.3 0.25 1 247 51 51 GLU H H 7.84 0.01 1 248 51 51 GLU C C 179.8 0.20 1 249 51 51 GLU CA C 58.8 0.20 1 250 51 51 GLU CB C 28.8 0.20 1 251 51 51 GLU N N 116.2 0.25 1 252 52 52 ALA H H 8.95 0.01 1 253 52 52 ALA HB H 1.58 0.01 1 254 52 52 ALA C C 181.8 0.20 1 255 52 52 ALA CA C 54.7 0.20 1 256 52 52 ALA CB C 18.7 0.20 1 257 52 52 ALA N N 122.6 0.25 1 258 53 53 GLY H H 9.19 0.01 1 259 53 53 GLY C C 175.4 0.20 1 260 53 53 GLY CA C 46.3 0.20 1 261 53 53 GLY N N 108.1 0.25 1 262 54 54 ASP H H 8.26 0.01 1 263 54 54 ASP C C 179.1 0.20 1 264 54 54 ASP CA C 57.2 0.20 1 265 54 54 ASP CB C 39.2 0.20 1 266 54 54 ASP N N 122.6 0.25 1 267 55 55 GLU H H 8.31 0.01 1 268 55 55 GLU C C 178.5 0.20 1 269 55 55 GLU CA C 59.2 0.20 1 270 55 55 GLU CB C 28.9 0.20 1 271 55 55 GLU N N 120.3 0.25 1 272 56 56 PHE H H 8.62 0.01 1 273 56 56 PHE C C 177.2 0.20 1 274 56 56 PHE CA C 61.6 0.20 1 275 56 56 PHE CB C 39.4 0.20 1 276 56 56 PHE N N 121.2 0.25 1 277 57 57 GLU H H 8.24 0.01 1 278 57 57 GLU C C 177.7 0.20 1 279 57 57 GLU CA C 58.2 0.20 1 280 57 57 GLU CB C 29.1 0.20 1 281 57 57 GLU N N 116.9 0.25 1 282 58 58 LEU H H 7.56 0.01 1 283 58 58 LEU C C 178.8 0.20 1 284 58 58 LEU CA C 56.6 0.20 1 285 58 58 LEU CB C 41.8 0.20 1 286 58 58 LEU N N 117.5 0.25 1 287 59 59 ARG H H 7.79 0.01 1 288 59 59 ARG C C 177.2 0.20 1 289 59 59 ARG CA C 57.5 0.20 1 290 59 59 ARG CB C 30.2 0.20 1 291 59 59 ARG N N 117.0 0.25 1 292 60 60 TYR H H 8.07 0.01 1 293 60 60 TYR C C 175.0 0.20 1 294 60 60 TYR CA C 55.9 0.20 1 295 60 60 TYR CB C 36.8 0.20 1 296 60 60 TYR N N 118.5 0.25 1 297 61 61 ARG H H 7.59 0.01 1 298 61 61 ARG CA C 57.9 0.20 1 299 61 61 ARG CB C 29.2 0.20 1 300 61 61 ARG N N 120.1 0.25 1 301 62 62 ARG C C 177.1 0.20 1 302 62 62 ARG CA C 56.8 0.20 1 303 63 63 ALA H H 7.82 0.01 1 304 63 63 ALA C C 179.5 0.20 1 305 63 63 ALA CA C 54.1 0.20 1 306 63 63 ALA CB C 17.9 0.20 1 307 63 63 ALA N N 121.2 0.25 1 308 64 64 PHE H H 8.54 0.01 1 309 64 64 PHE C C 177.2 0.20 1 310 64 64 PHE CA C 57.0 0.20 1 311 64 64 PHE CB C 38.6 0.20 1 312 64 64 PHE N N 114.5 0.25 1 313 65 65 SER H H 7.99 0.01 1 314 65 65 SER CA C 61.2 0.20 1 315 65 65 SER CB C 62.7 0.20 1 316 65 65 SER N N 116.6 0.25 1 317 66 66 ASP C C 177.6 0.20 1 318 66 66 ASP CA C 55.8 0.20 1 319 67 67 LEU H H 7.85 0.01 1 320 67 67 LEU C C 179.1 0.20 1 321 67 67 LEU CA C 56.9 0.20 1 322 67 67 LEU CB C 42.1 0.20 1 323 67 67 LEU N N 120.0 0.25 1 324 68 68 THR H H 8.60 0.01 1 325 68 68 THR C C 176.9 0.20 1 326 68 68 THR CA C 64.7 0.20 1 327 68 68 THR CB C 67.7 0.20 1 328 68 68 THR N N 109.3 0.25 1 329 69 69 SER H H 7.60 0.01 1 330 69 69 SER C C 175.2 0.20 1 331 69 69 SER CA C 59.7 0.20 1 332 69 69 SER CB C 63.0 0.20 1 333 69 69 SER N N 114.4 0.25 1 334 70 70 GLN H H 7.52 0.01 1 335 70 70 GLN C C 175.4 0.20 1 336 70 70 GLN CA C 56.2 0.20 1 337 70 70 GLN CB C 30.7 0.20 1 338 70 70 GLN N N 117.9 0.25 1 339 71 71 LEU H H 7.48 0.01 1 340 71 71 LEU C C 173.4 0.20 1 341 71 71 LEU CA C 54.0 0.20 1 342 71 71 LEU CB C 42.8 0.20 1 343 71 71 LEU N N 120.2 0.25 1 344 72 72 HIS H H 8.20 0.01 1 345 72 72 HIS C C 174.6 0.20 1 346 72 72 HIS CA C 54.3 0.20 1 347 72 72 HIS CB C 29.6 0.20 1 348 72 72 HIS N N 121.8 0.25 1 349 73 73 ILE H H 8.74 0.01 1 350 73 73 ILE C C 175.1 0.20 1 351 73 73 ILE CA C 61.5 0.20 1 352 73 73 ILE CB C 36.3 0.20 1 353 73 73 ILE N N 124.0 0.25 1 354 74 74 THR H H 8.76 0.01 1 355 74 74 THR CA C 59.2 0.20 1 356 74 74 THR CB C 69.4 0.20 1 357 74 74 THR N N 119.7 0.25 1 358 76 76 GLY C C 174.8 0.20 1 359 76 76 GLY CA C 44.3 0.20 1 360 77 77 THR H H 7.89 0.01 1 361 77 77 THR C C 173.0 0.20 1 362 77 77 THR CA C 64.5 0.20 1 363 77 77 THR CB C 69.1 0.20 1 364 77 77 THR N N 119.5 0.25 1 365 78 78 ALA H H 8.82 0.01 1 366 78 78 ALA C C 177.6 0.20 1 367 78 78 ALA CA C 50.7 0.20 1 368 78 78 ALA CB C 20.4 0.20 1 369 78 78 ALA N N 129.7 0.25 1 370 79 79 TYR H H 8.82 0.01 1 371 79 79 TYR C C 176.5 0.20 1 372 79 79 TYR CA C 60.2 0.20 1 373 79 79 TYR CB C 37.9 0.20 1 374 79 79 TYR N N 121.6 0.25 1 375 80 80 GLN H H 8.52 0.01 1 376 80 80 GLN C C 178.0 0.20 1 377 80 80 GLN CA C 59.3 0.20 1 378 80 80 GLN CB C 27.1 0.20 1 379 80 80 GLN N N 115.0 0.25 1 380 81 81 SER H H 7.40 0.01 1 381 81 81 SER C C 175.4 0.20 1 382 81 81 SER CA C 61.5 0.20 1 383 81 81 SER N N 113.9 0.25 1 384 82 82 PHE H H 6.64 0.01 1 385 82 82 PHE C C 175.1 0.20 1 386 82 82 PHE CA C 60.5 0.20 1 387 82 82 PHE CB C 38.3 0.20 1 388 82 82 PHE N N 121.9 0.25 1 389 83 83 GLU H H 8.44 0.01 1 390 83 83 GLU C C 176.8 0.20 1 391 83 83 GLU CA C 58.5 0.20 1 392 83 83 GLU CB C 29.5 0.20 1 393 83 83 GLU N N 119.7 0.25 1 394 84 84 GLN H H 7.60 0.01 1 395 84 84 GLN C C 178.3 0.20 1 396 84 84 GLN CA C 58.5 0.20 1 397 84 84 GLN CB C 27.9 0.20 1 398 84 84 GLN N N 113.7 0.25 1 399 85 85 VAL H H 6.99 0.01 1 400 85 85 VAL HG1 H 0.96 0.01 2 401 85 85 VAL C C 177.6 0.20 1 402 85 85 VAL CA C 65.1 0.20 1 403 85 85 VAL CB C 30.9 0.20 1 404 85 85 VAL N N 118.0 0.25 1 405 86 86 VAL H H 7.77 0.01 1 406 86 86 VAL HG1 H -0.16 0.01 2 407 86 86 VAL C C 178.6 0.20 1 408 86 86 VAL CA C 65.2 0.20 1 409 86 86 VAL CB C 30.1 0.20 1 410 86 86 VAL N N 118.6 0.25 1 411 87 87 ASN H H 8.25 0.01 1 412 87 87 ASN C C 178.9 0.20 1 413 87 87 ASN CA C 55.0 0.20 1 414 87 87 ASN CB C 36.6 0.20 1 415 87 87 ASN N N 116.9 0.25 1 416 88 88 GLU H H 7.36 0.01 1 417 88 88 GLU C C 179.1 0.20 1 418 88 88 GLU CA C 58.4 0.20 1 419 88 88 GLU CB C 28.3 0.20 1 420 88 88 GLU N N 118.1 0.25 1 421 89 89 LEU H H 7.64 0.01 1 422 89 89 LEU C C 178.1 0.20 1 423 89 89 LEU CA C 56.7 0.20 1 424 89 89 LEU CB C 40.5 0.20 1 425 89 89 LEU N N 118.7 0.25 1 426 90 90 PHE H H 7.00 0.01 1 427 90 90 PHE C C 176.3 0.20 1 428 90 90 PHE CA C 57.1 0.20 1 429 90 90 PHE CB C 39.1 0.20 1 430 90 90 PHE N N 113.2 0.25 1 431 91 91 ARG H H 7.16 0.01 1 432 91 91 ARG C C 177.0 0.20 1 433 91 91 ARG CA C 59.0 0.20 1 434 91 91 ARG CB C 29.1 0.20 1 435 91 91 ARG N N 122.9 0.25 1 436 92 92 ASP H H 8.58 0.01 1 437 92 92 ASP C C 175.5 0.20 1 438 92 92 ASP CA C 53.7 0.20 1 439 92 92 ASP CB C 40.2 0.20 1 440 92 92 ASP N N 116.2 0.25 1 441 93 93 GLY H H 7.53 0.01 1 442 93 93 GLY C C 172.4 0.20 1 443 93 93 GLY CA C 43.3 0.20 1 444 93 93 GLY N N 108.1 0.25 1 445 94 94 VAL H H 8.21 0.01 1 446 94 94 VAL HG1 H -0.62 0.01 2 447 94 94 VAL C C 174.2 0.20 1 448 94 94 VAL CA C 62.1 0.20 1 449 94 94 VAL CB C 31.9 0.20 1 450 94 94 VAL N N 119.5 0.25 1 451 95 95 ASN H H 6.37 0.01 1 452 95 95 ASN C C 175.2 0.20 1 453 95 95 ASN CA C 51.5 0.20 1 454 95 95 ASN CB C 39.1 0.20 1 455 95 95 ASN N N 115.5 0.25 1 456 96 96 TRP H H 8.57 0.01 1 457 96 96 TRP HE1 H 10.21 0.01 1 458 96 96 TRP C C 178.3 0.20 1 459 96 96 TRP CA C 60.7 0.20 1 460 96 96 TRP CB C 30.1 0.20 1 461 96 96 TRP N N 118.5 0.25 1 462 96 96 TRP NE1 N 128.3 0.25 1 463 97 97 GLY H H 8.62 0.01 1 464 97 97 GLY C C 177.4 0.20 1 465 97 97 GLY CA C 46.6 0.20 1 466 97 97 GLY N N 106.1 0.25 1 467 98 98 ARG H H 8.15 0.01 1 468 98 98 ARG C C 177.8 0.20 1 469 98 98 ARG CA C 57.6 0.20 1 470 98 98 ARG CB C 30.2 0.20 1 471 98 98 ARG N N 121.0 0.25 1 472 99 99 ILE H H 7.83 0.01 1 473 99 99 ILE CA C 66.0 0.20 1 474 99 99 ILE CB C 36.2 0.20 1 475 99 99 ILE N N 121.1 0.25 1 476 100 100 VAL C C 177.8 0.20 1 477 100 100 VAL CA C 67.5 0.20 1 478 101 101 ALA H H 7.77 0.01 1 479 101 101 ALA HB H 1.25 0.01 1 480 101 101 ALA C C 178.1 0.20 1 481 101 101 ALA CA C 54.7 0.20 1 482 101 101 ALA CB C 17.8 0.20 1 483 101 101 ALA N N 121.2 0.25 1 484 102 102 PHE H H 8.10 0.01 1 485 102 102 PHE C C 176.3 0.20 1 486 102 102 PHE CA C 60.1 0.20 1 487 102 102 PHE CB C 37.9 0.20 1 488 102 102 PHE N N 118.8 0.25 1 489 103 103 PHE H H 8.04 0.01 1 490 103 103 PHE C C 177.3 0.20 1 491 103 103 PHE CA C 62.5 0.20 1 492 103 103 PHE CB C 36.2 0.20 1 493 103 103 PHE N N 120.2 0.25 1 494 104 104 SER H H 8.42 0.01 1 495 104 104 SER C C 177.6 0.20 1 496 104 104 SER CA C 62.6 0.20 1 497 104 104 SER N N 113.6 0.25 1 498 105 105 PHE H H 9.21 0.01 1 499 105 105 PHE C C 176.4 0.20 1 500 105 105 PHE CA C 60.3 0.20 1 501 105 105 PHE CB C 37.6 0.20 1 502 105 105 PHE N N 123.7 0.25 1 503 106 106 GLY H H 8.16 0.01 1 504 106 106 GLY C C 175.9 0.20 1 505 106 106 GLY CA C 47.0 0.20 1 506 106 106 GLY N N 106.8 0.25 1 507 107 107 GLY H H 8.82 0.01 1 508 107 107 GLY C C 174.2 0.20 1 509 107 107 GLY CA C 47.0 0.20 1 510 107 107 GLY N N 106.5 0.25 1 511 108 108 ALA H H 8.30 0.01 1 512 108 108 ALA HB H 1.55 0.01 1 513 108 108 ALA C C 180.1 0.20 1 514 108 108 ALA CA C 54.7 0.20 1 515 108 108 ALA CB C 17.8 0.20 1 516 108 108 ALA N N 124.9 0.25 1 517 109 109 LEU H H 8.58 0.01 1 518 109 109 LEU C C 179.7 0.20 1 519 109 109 LEU CA C 56.9 0.20 1 520 109 109 LEU CB C 41.1 0.20 1 521 109 109 LEU N N 118.5 0.25 1 522 110 110 CYS H H 8.42 0.01 1 523 110 110 CYS C C 175.3 0.20 1 524 110 110 CYS CA C 62.8 0.20 1 525 110 110 CYS CB C 27.0 0.20 1 526 110 110 CYS N N 119.0 0.25 1 527 111 111 VAL H H 8.32 0.01 1 528 111 111 VAL HG1 H 0.98 0.01 2 529 111 111 VAL C C 177.3 0.20 1 530 111 111 VAL CA C 66.3 0.20 1 531 111 111 VAL CB C 31.0 0.20 1 532 111 111 VAL N N 116.5 0.25 1 533 112 112 GLU H H 8.31 0.01 1 534 112 112 GLU C C 179.4 0.20 1 535 112 112 GLU CA C 58.8 0.20 1 536 112 112 GLU CB C 29.0 0.20 1 537 112 112 GLU N N 117.1 0.25 1 538 113 113 SER H H 7.99 0.01 1 539 113 113 SER C C 177.8 0.20 1 540 113 113 SER CA C 62.1 0.20 1 541 113 113 SER N N 113.9 0.25 1 542 114 114 VAL H H 8.25 0.01 1 543 114 114 VAL C C 176.9 0.20 1 544 114 114 VAL CA C 66.0 0.20 1 545 114 114 VAL CB C 30.2 0.20 1 546 114 114 VAL N N 116.9 0.25 1 547 115 115 ASP H H 8.20 0.01 1 548 115 115 ASP C C 179.0 0.20 1 549 115 115 ASP CA C 57.5 0.20 1 550 115 115 ASP CB C 40.8 0.20 1 551 115 115 ASP N N 118.4 0.25 1 552 116 116 LYS H H 7.88 0.01 1 553 116 116 LYS C C 179.3 0.20 1 554 116 116 LYS CA C 58.9 0.20 1 555 116 116 LYS CB C 31.8 0.20 1 556 116 116 LYS N N 116.7 0.25 1 557 117 117 GLU H H 8.23 0.01 1 558 117 117 GLU C C 179.6 0.20 1 559 117 117 GLU CA C 58.0 0.20 1 560 117 117 GLU CB C 28.1 0.20 1 561 117 117 GLU N N 117.9 0.25 1 562 118 118 MET H H 8.84 0.01 1 563 118 118 MET C C 177.8 0.20 1 564 118 118 MET CA C 58.4 0.20 1 565 118 118 MET CB C 31.1 0.20 1 566 118 118 MET N N 119.0 0.25 1 567 119 119 GLN H H 7.58 0.01 1 568 119 119 GLN C C 179.2 0.20 1 569 119 119 GLN CA C 59.0 0.20 1 570 119 119 GLN CB C 27.4 0.20 1 571 119 119 GLN N N 116.0 0.25 1 572 120 120 VAL H H 7.51 0.01 1 573 120 120 VAL HG1 H 1.02 0.01 2 574 120 120 VAL C C 178.2 0.20 1 575 120 120 VAL CA C 65.5 0.20 1 576 120 120 VAL CB C 31.2 0.20 1 577 120 120 VAL N N 119.0 0.25 1 578 121 121 LEU H H 7.93 0.01 1 579 121 121 LEU C C 177.8 0.20 1 580 121 121 LEU CA C 58.0 0.20 1 581 121 121 LEU CB C 41.7 0.20 1 582 121 121 LEU N N 121.1 0.25 1 583 122 122 VAL H H 8.25 0.01 1 584 122 122 VAL C C 177.6 0.20 1 585 122 122 VAL CA C 66.0 0.20 1 586 122 122 VAL CB C 30.5 0.20 1 587 122 122 VAL N N 116.8 0.25 1 588 123 123 SER H H 7.59 0.01 1 589 123 123 SER C C 176.7 0.20 1 590 123 123 SER CA C 61.7 0.20 1 591 123 123 SER N N 112.4 0.25 1 592 124 124 ARG H H 7.68 0.01 1 593 124 124 ARG C C 177.0 0.20 1 594 124 124 ARG CA C 58.7 0.20 1 595 124 124 ARG CB C 29.1 0.20 1 596 124 124 ARG N N 122.6 0.25 1 597 125 125 ILE H H 7.29 0.01 1 598 125 125 ILE C C 177.7 0.20 1 599 125 125 ILE CA C 64.0 0.20 1 600 125 125 ILE CB C 36.4 0.20 1 601 125 125 ILE N N 117.4 0.25 1 602 126 126 ALA H H 8.71 0.01 1 603 126 126 ALA HB H 1.30 0.01 1 604 126 126 ALA C C 179.8 0.20 1 605 126 126 ALA CA C 54.7 0.20 1 606 126 126 ALA CB C 17.6 0.20 1 607 126 126 ALA N N 120.8 0.25 1 608 127 127 SER H H 7.92 0.01 1 609 127 127 SER C C 177.6 0.20 1 610 127 127 SER CA C 61.3 0.20 1 611 127 127 SER CB C 62.3 0.20 1 612 127 127 SER N N 113.3 0.25 1 613 128 128 TRP H H 8.36 0.01 1 614 128 128 TRP HE1 H 10.15 0.01 1 615 128 128 TRP C C 178.8 0.20 1 616 128 128 TRP CA C 57.8 0.20 1 617 128 128 TRP CB C 27.7 0.20 1 618 128 128 TRP N N 124.2 0.25 1 619 128 128 TRP NE1 N 126.3 0.25 1 620 129 129 MET H H 8.83 0.01 1 621 129 129 MET C C 178.1 0.20 1 622 129 129 MET CA C 59.8 0.20 1 623 129 129 MET CB C 33.9 0.20 1 624 129 129 MET N N 116.7 0.25 1 625 130 130 ALA H H 8.78 0.01 1 626 130 130 ALA HB H 1.55 0.01 1 627 130 130 ALA C C 179.1 0.20 1 628 130 130 ALA CA C 55.6 0.20 1 629 130 130 ALA CB C 17.0 0.20 1 630 130 130 ALA N N 120.3 0.25 1 631 131 131 THR H H 8.54 0.01 1 632 131 131 THR C C 174.8 0.20 1 633 131 131 THR CA C 66.6 0.20 1 634 131 131 THR CB C 68.5 0.20 1 635 131 131 THR N N 116.7 0.25 1 636 132 132 TYR H H 8.67 0.01 1 637 132 132 TYR C C 179.2 0.20 1 638 132 132 TYR CA C 62.8 0.20 1 639 132 132 TYR CB C 39.0 0.20 1 640 132 132 TYR N N 123.1 0.25 1 641 133 133 LEU H H 8.78 0.01 1 642 133 133 LEU C C 178.4 0.20 1 643 133 133 LEU CA C 58.7 0.20 1 644 133 133 LEU CB C 41.8 0.20 1 645 133 133 LEU N N 119.1 0.25 1 646 134 134 ASN H H 8.55 0.01 1 647 134 134 ASN C C 176.2 0.20 1 648 134 134 ASN CA C 56.4 0.20 1 649 134 134 ASN CB C 38.5 0.20 1 650 134 134 ASN N N 117.6 0.25 1 651 135 135 ASP H H 8.50 0.01 1 652 135 135 ASP C C 177.8 0.20 1 653 135 135 ASP CA C 56.1 0.20 1 654 135 135 ASP CB C 40.3 0.20 1 655 135 135 ASP N N 115.7 0.25 1 656 136 136 HIS H H 8.16 0.01 1 657 136 136 HIS C C 175.7 0.20 1 658 136 136 HIS CA C 56.2 0.20 1 659 136 136 HIS CB C 30.3 0.20 1 660 136 136 HIS N N 111.4 0.25 1 661 137 137 LEU H H 7.33 0.01 1 662 137 137 LEU C C 176.3 0.20 1 663 137 137 LEU CA C 55.3 0.20 1 664 137 137 LEU CB C 42.2 0.20 1 665 137 137 LEU N N 116.9 0.25 1 666 138 138 GLU H H 8.70 0.01 1 667 138 138 GLU CA C 60.1 0.20 1 668 138 138 GLU CB C 27.0 0.20 1 669 138 138 GLU N N 121.5 0.25 1 670 139 139 PRO C C 179.1 0.20 1 671 139 139 PRO CA C 65.8 0.20 1 672 140 140 TRP H H 7.16 0.01 1 673 140 140 TRP HE1 H 9.52 0.01 1 674 140 140 TRP C C 179.3 0.20 1 675 140 140 TRP CA C 61.6 0.20 1 676 140 140 TRP CB C 29.5 0.20 1 677 140 140 TRP N N 117.9 0.25 1 678 140 140 TRP NE1 N 129.0 0.25 1 679 141 141 ILE H H 8.49 0.01 1 680 141 141 ILE C C 179.0 0.20 1 681 141 141 ILE CA C 65.6 0.20 1 682 141 141 ILE CB C 37.6 0.20 1 683 141 141 ILE N N 122.2 0.25 1 684 142 142 GLN H H 8.52 0.01 1 685 142 142 GLN C C 179.4 0.20 1 686 142 142 GLN CA C 57.9 0.20 1 687 142 142 GLN CB C 27.4 0.20 1 688 142 142 GLN N N 116.4 0.25 1 689 143 143 GLU H H 7.60 0.01 1 690 143 143 GLU C C 176.7 0.20 1 691 143 143 GLU CA C 57.5 0.20 1 692 143 143 GLU CB C 29.1 0.20 1 693 143 143 GLU N N 119.0 0.25 1 694 144 144 ASN H H 7.19 0.01 1 695 144 144 ASN C C 173.9 0.20 1 696 144 144 ASN CA C 53.4 0.20 1 697 144 144 ASN CB C 38.0 0.20 1 698 144 144 ASN N N 116.4 0.25 1 699 145 145 GLY H H 7.42 0.01 1 700 145 145 GLY C C 175.8 0.20 1 701 145 145 GLY CA C 45.2 0.20 1 702 145 145 GLY N N 104.8 0.25 1 703 146 146 GLY H H 8.58 0.01 1 704 146 146 GLY C C 173.2 0.20 1 705 146 146 GLY CA C 43.8 0.20 1 706 146 146 GLY N N 108.3 0.25 1 707 147 147 TRP H H 8.66 0.01 1 708 147 147 TRP HE1 H 10.53 0.01 1 709 147 147 TRP C C 178.4 0.20 1 710 147 147 TRP CA C 60.1 0.20 1 711 147 147 TRP CB C 29.4 0.20 1 712 147 147 TRP N N 117.9 0.25 1 713 147 147 TRP NE1 N 128.7 0.25 1 714 148 148 ASP H H 8.84 0.01 1 715 148 148 ASP C C 179.0 0.20 1 716 148 148 ASP CA C 57.3 0.20 1 717 148 148 ASP CB C 40.0 0.20 1 718 148 148 ASP N N 117.3 0.25 1 719 149 149 THR H H 7.50 0.01 1 720 149 149 THR C C 175.3 0.20 1 721 149 149 THR CA C 65.7 0.20 1 722 149 149 THR CB C 67.7 0.20 1 723 149 149 THR N N 115.6 0.25 1 724 150 150 PHE H H 6.64 0.01 1 725 150 150 PHE C C 176.5 0.20 1 726 150 150 PHE CA C 61.1 0.20 1 727 150 150 PHE CB C 37.5 0.20 1 728 150 150 PHE N N 121.8 0.25 1 729 151 151 VAL H H 7.85 0.01 1 730 151 151 VAL HG1 H 1.08 0.01 2 731 151 151 VAL C C 178.3 0.20 1 732 151 151 VAL CA C 66.0 0.20 1 733 151 151 VAL CB C 31.1 0.20 1 734 151 151 VAL N N 117.4 0.25 1 735 152 152 ASP H H 7.55 0.01 1 736 152 152 ASP C C 178.0 0.20 1 737 152 152 ASP CA C 56.9 0.20 1 738 152 152 ASP CB C 40.5 0.20 1 739 152 152 ASP N N 119.6 0.25 1 740 153 153 LEU H H 7.80 0.01 1 741 153 153 LEU C C 178.6 0.20 1 742 153 153 LEU CA C 56.7 0.20 1 743 153 153 LEU CB C 42.3 0.20 1 744 153 153 LEU N N 118.0 0.25 1 745 154 154 TYR H H 8.24 0.01 1 746 154 154 TYR C C 177.2 0.20 1 747 154 154 TYR CA C 59.8 0.20 1 748 154 154 TYR CB C 39.3 0.20 1 749 154 154 TYR N N 117.1 0.25 1 750 155 155 GLY H H 8.12 0.01 1 751 155 155 GLY C C 174.4 0.20 1 752 155 155 GLY CA C 45.5 0.20 1 753 155 155 GLY N N 107.8 0.25 1 stop_ save_