data_18887 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of hypothetical protein lmo0427 ; _BMRB_accession_number 18887 _BMRB_flat_file_name bmr18887.str _Entry_type original _Submission_date 2012-12-10 _Accession_date 2012-12-10 _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 Zhang Yongbo . . 2 Winsor James . . 3 Radhakrishnan Ishwar . . 4 Anderson Wayne . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 610 "13C chemical shifts" 462 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-21 original author . stop_ _Original_release_date 2012-12-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of hypothetical protein lmo0427' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Yongbo . . 2 Winsor James . . 3 Radhakrishnan Ishwar . . 4 Anderson Wayne . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hypothetical protein lmo0427' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hypothetical protein lmo0427' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11395.479 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; MKRKIIAVTACATGVAHTYM AAQALKKGAKKMGNLIKVET QGATGIENELTEKDVNIGEV VIFAVDTKVRNKERFDGKVV LEVPVSAPIKDAEKVINAAL ALIDEK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ARG 4 LYS 5 ILE 6 ILE 7 ALA 8 VAL 9 THR 10 ALA 11 CYS 12 ALA 13 THR 14 GLY 15 VAL 16 ALA 17 HIS 18 THR 19 TYR 20 MET 21 ALA 22 ALA 23 GLN 24 ALA 25 LEU 26 LYS 27 LYS 28 GLY 29 ALA 30 LYS 31 LYS 32 MET 33 GLY 34 ASN 35 LEU 36 ILE 37 LYS 38 VAL 39 GLU 40 THR 41 GLN 42 GLY 43 ALA 44 THR 45 GLY 46 ILE 47 GLU 48 ASN 49 GLU 50 LEU 51 THR 52 GLU 53 LYS 54 ASP 55 VAL 56 ASN 57 ILE 58 GLY 59 GLU 60 VAL 61 VAL 62 ILE 63 PHE 64 ALA 65 VAL 66 ASP 67 THR 68 LYS 69 VAL 70 ARG 71 ASN 72 LYS 73 GLU 74 ARG 75 PHE 76 ASP 77 GLY 78 LYS 79 VAL 80 VAL 81 LEU 82 GLU 83 VAL 84 PRO 85 VAL 86 SER 87 ALA 88 PRO 89 ILE 90 LYS 91 ASP 92 ALA 93 GLU 94 LYS 95 VAL 96 ILE 97 ASN 98 ALA 99 ALA 100 LEU 101 ALA 102 LEU 103 ILE 104 ASP 105 GLU 106 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2M1Z "Solution Structure Of Uncharacterized Protein Lmo0427" 100.00 106 100.00 100.00 8.63e-67 EMBL CAC98506 "lmo0427 [Listeria monocytogenes EGD-e]" 100.00 106 100.00 100.00 8.63e-67 EMBL CAK19805 "PTS system, fructose-specific, IIB component [Listeria welshimeri serovar 6b str. SLCC5334]" 100.00 106 100.00 100.00 8.63e-67 EMBL CAR83139 "PTS system, fructose-specific, IIB component [Listeria monocytogenes L99]" 100.00 106 100.00 100.00 8.63e-67 EMBL CAS04216 "Putative PTS fructose-specific enzyme IIB component [Listeria monocytogenes serotype 4b str. CLIP 80459]" 100.00 106 100.00 100.00 8.63e-67 EMBL CBY02952 "PTS system, fructose-specific, IIB component [Listeria monocytogenes serotype 7 str. SLCC2482]" 100.00 106 100.00 100.00 8.63e-67 GB AAT03227 "PTS system, fructose-specific, IIB component [Listeria monocytogenes serotype 4b str. F2365]" 100.00 106 100.00 100.00 8.63e-67 GB ACK40550 "pts system fructose-specific eiibbc component (eiibbc-fru) [Listeria monocytogenes HCC23]" 100.00 106 100.00 100.00 8.63e-67 GB ADB67216 "hypothetical protein LM5578_0460 [Listeria monocytogenes 08-5578]" 100.00 106 100.00 100.00 8.63e-67 GB ADB70305 "hypothetical protein LM5923_0459 [Listeria monocytogenes 08-5923]" 100.00 106 100.00 100.00 8.63e-67 GB AEH91456 "putative PTS system, fructose-like-specific IIB component [Listeria monocytogenes M7]" 100.00 106 100.00 100.00 8.63e-67 REF NP_463956 "PTS fructose transporter subunit IIB [Listeria monocytogenes EGD-e]" 100.00 106 100.00 100.00 8.63e-67 REF WP_003722977 "MULTISPECIES: PTS fructose transporter subunit IIB [Listeria]" 100.00 106 100.00 100.00 8.63e-67 REF WP_003760426 "heat-responsive suppressor HrsA [Listeria innocua]" 100.00 106 99.06 99.06 7.73e-66 REF WP_036088242 "PTS fructose transporter subunit IIB [Listeria booriae]" 100.00 106 98.11 100.00 7.32e-66 REF WP_047584151 "PTS fructose transporter subunit IIB [Listeria monocytogenes]" 100.00 106 99.06 99.06 4.20e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Staphylococcus aureus' 1280 Bacteria . Staphylococcus aureus 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 $entity 'recombinant technology' . Escherichia coli . pBR322 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.7' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.2 mM '[U-95% 13C; U-95% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.2 mM '[U-95% 13C; U-95% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ 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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 6.7 . pH pressure 1 . atm temperature 273 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Experiment_label '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hypothetical protein lmo0427' _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 1 MET H H 8.25 . . 2 1 1 MET HA H 4.48 . . 3 1 1 MET HB2 H 2.04 . . 4 1 1 MET HB3 H 2.04 . . 5 1 1 MET HG2 H 2.57 . . 6 1 1 MET HG3 H 2.57 . . 7 1 1 MET C C 175.65 . . 8 1 1 MET CA C 56.40 . . 9 1 1 MET CB C 34.35 . . 10 1 1 MET N N 119.30 . . 11 2 2 LYS H H 8.22 . . 12 2 2 LYS HA H 4.33 . . 13 2 2 LYS HB2 H 1.86 . . 14 2 2 LYS HB3 H 1.77 . . 15 2 2 LYS HG2 H 1.50 . . 16 2 2 LYS HG3 H 1.50 . . 17 2 2 LYS HD2 H 1.63 . . 18 2 2 LYS HD3 H 1.63 . . 19 2 2 LYS HE2 H 2.98 . . 20 2 2 LYS HE3 H 2.98 . . 21 2 2 LYS C C 176.04 . . 22 2 2 LYS CA C 57.85 . . 23 2 2 LYS CB C 33.48 . . 24 2 2 LYS CG C 25.95 . . 25 2 2 LYS CD C 30.55 . . 26 2 2 LYS CE C 43.28 . . 27 2 2 LYS N N 120.95 . . 28 3 3 ARG H H 8.22 . . 29 3 3 ARG HA H 4.66 . . 30 3 3 ARG HB2 H 1.66 . . 31 3 3 ARG HB3 H 1.32 . . 32 3 3 ARG HG2 H 1.65 . . 33 3 3 ARG HG3 H 1.65 . . 34 3 3 ARG HD2 H 3.26 . . 35 3 3 ARG HD3 H 2.89 . . 36 3 3 ARG HE H 8.16 . . 37 3 3 ARG C C 175.96 . . 38 3 3 ARG CA C 53.81 . . 39 3 3 ARG CB C 29.71 . . 40 3 3 ARG CG C 26.99 . . 41 3 3 ARG CD C 41.01 . . 42 3 3 ARG N N 120.34 . . 43 3 3 ARG NE N 80.84 . . 44 4 4 LYS H H 8.88 . . 45 4 4 LYS HA H 4.77 . . 46 4 4 LYS HB2 H 1.97 . . 47 4 4 LYS HB3 H 1.89 . . 48 4 4 LYS HG2 H 1.47 . . 49 4 4 LYS HG3 H 1.41 . . 50 4 4 LYS HD2 H 1.66 . . 51 4 4 LYS HD3 H 1.66 . . 52 4 4 LYS HE2 H 2.98 . . 53 4 4 LYS HE3 H 2.98 . . 54 4 4 LYS C C 174.82 . . 55 4 4 LYS CA C 57.23 . . 56 4 4 LYS CB C 33.80 . . 57 4 4 LYS CG C 26.40 . . 58 4 4 LYS CD C 30.58 . . 59 4 4 LYS N N 121.54 . . 60 5 5 ILE H H 8.76 . . 61 5 5 ILE HA H 4.53 . . 62 5 5 ILE HB H 1.59 . . 63 5 5 ILE HG12 H 1.43 . . 64 5 5 ILE HG13 H 0.91 . . 65 5 5 ILE HG2 H 0.84 . . 66 5 5 ILE HD1 H 0.70 . . 67 5 5 ILE C C 175.42 . . 68 5 5 ILE CA C 61.12 . . 69 5 5 ILE CB C 41.88 . . 70 5 5 ILE CG1 C 29.28 . . 71 5 5 ILE CG2 C 20.28 . . 72 5 5 ILE CD1 C 16.57 . . 73 5 5 ILE N N 125.03 . . 74 6 6 ILE H H 8.11 . . 75 6 6 ILE HA H 5.44 . . 76 6 6 ILE HB H 2.19 . . 77 6 6 ILE HG12 H 1.56 . . 78 6 6 ILE HG13 H 1.56 . . 79 6 6 ILE HG2 H 0.94 . . 80 6 6 ILE HD1 H 1.08 . . 81 6 6 ILE C C 173.88 . . 82 6 6 ILE CA C 60.48 . . 83 6 6 ILE CB C 42.12 . . 84 6 6 ILE CG1 C 26.59 . . 85 6 6 ILE CG2 C 20.54 . . 86 6 6 ILE CD1 C 16.44 . . 87 6 6 ILE N N 119.27 . . 88 7 7 ALA H H 8.79 . . 89 7 7 ALA HA H 5.78 . . 90 7 7 ALA HB H 1.29 . . 91 7 7 ALA C C 173.95 . . 92 7 7 ALA CA C 51.28 . . 93 7 7 ALA CB C 25.93 . . 94 7 7 ALA N N 122.33 . . 95 8 8 VAL H H 8.95 . . 96 8 8 VAL HA H 5.19 . . 97 8 8 VAL HB H 1.60 . . 98 8 8 VAL HG1 H 0.72 . . 99 8 8 VAL HG2 H 0.65 . . 100 8 8 VAL C C 175.59 . . 101 8 8 VAL CA C 61.34 . . 102 8 8 VAL CB C 36.65 . . 103 8 8 VAL CG1 C 22.85 . . 104 8 8 VAL CG2 C 22.45 . . 105 8 8 VAL N N 119.86 . . 106 9 9 THR H H 8.86 . . 107 9 9 THR HA H 5.50 . . 108 9 9 THR HB H 4.18 . . 109 9 9 THR HG2 H 1.01 . . 110 9 9 THR C C 172.92 . . 111 9 9 THR CA C 59.47 . . 112 9 9 THR CB C 71.51 . . 113 9 9 THR CG2 C 23.75 . . 114 9 9 THR N N 116.32 . . 115 10 10 ALA H H 7.71 . . 116 10 10 ALA HA H 4.80 . . 117 10 10 ALA HB H 1.23 . . 118 10 10 ALA C C 174.68 . . 119 10 10 ALA CA C 54.30 . . 120 10 10 ALA CB C 22.94 . . 121 10 10 ALA N N 121.78 . . 122 11 11 CYS H H 8.14 . . 123 11 11 CYS HA H 5.16 . . 124 11 11 CYS HB2 H 3.02 . . 125 11 11 CYS HB3 H 2.80 . . 126 11 11 CYS C C 174.70 . . 127 11 11 CYS CA C 57.15 . . 128 11 11 CYS CB C 30.83 . . 129 11 11 CYS N N 121.78 . . 130 12 12 ALA H H 10.63 . . 131 12 12 ALA HA H 4.22 . . 132 12 12 ALA HB H 1.46 . . 133 12 12 ALA C C 168.95 . . 134 12 12 ALA CA C 55.27 . . 135 12 12 ALA CB C 20.32 . . 136 12 12 ALA N N 113.90 . . 137 13 13 THR H H 8.18 . . 138 13 13 THR HA H 4.39 . . 139 13 13 THR HB H 4.28 . . 140 13 13 THR HG2 H 1.18 . . 141 13 13 THR C C 174.87 . . 142 13 13 THR CA C 62.91 . . 143 13 13 THR CB C 70.64 . . 144 13 13 THR CG2 C 22.67 . . 145 13 13 THR N N 109.49 . . 146 14 14 GLY H H 7.88 . . 147 14 14 GLY HA2 H 4.14 . . 148 14 14 GLY HA3 H 4.06 . . 149 14 14 GLY C C 173.68 . . 150 14 14 GLY CA C 47.05 . . 151 14 14 GLY N N 111.45 . . 152 15 15 VAL H H 8.25 . . 153 15 15 VAL HA H 4.11 . . 154 15 15 VAL HB H 2.04 . . 155 15 15 VAL HG1 H 0.94 . . 156 15 15 VAL HG2 H 0.92 . . 157 15 15 VAL C C 176.86 . . 158 15 15 VAL CA C 64.74 . . 159 15 15 VAL CB C 33.69 . . 160 15 15 VAL CG1 C 22.12 . . 161 15 15 VAL CG2 C 21.74 . . 162 15 15 VAL N N 119.53 . . 163 16 16 ALA H H 8.43 . . 164 16 16 ALA HA H 4.23 . . 165 16 16 ALA HB H 1.35 . . 166 16 16 ALA C C 170.61 . . 167 16 16 ALA CA C 56.28 . . 168 16 16 ALA CB C 19.32 . . 169 16 16 ALA N N 123.23 . . 170 17 17 HIS HA H 4.38 . . 171 17 17 HIS HB2 H 3.19 . . 172 17 17 HIS HB3 H 2.96 . . 173 17 17 HIS HD2 H 6.95 . . 174 17 17 HIS HE1 H 7.72 . . 175 17 17 HIS C C 177.26 . . 176 17 17 HIS CA C 60.06 . . 177 17 17 HIS CB C 31.99 . . 178 17 17 HIS CD2 C 119.63 . . 179 17 17 HIS CE1 C 139.80 . . 180 18 18 THR H H 7.59 . . 181 18 18 THR HA H 3.54 . . 182 18 18 THR HB H 4.12 . . 183 18 18 THR HG2 H 0.99 . . 184 18 18 THR C C 176.69 . . 185 18 18 THR CA C 67.70 . . 186 18 18 THR CB C 69.55 . . 187 18 18 THR CG2 C 23.89 . . 188 18 18 THR N N 115.83 . . 189 19 19 TYR H H 7.71 . . 190 19 19 TYR HA H 4.34 . . 191 19 19 TYR HB2 H 3.20 . . 192 19 19 TYR HB3 H 3.04 . . 193 19 19 TYR HD1 H 7.09 . . 194 19 19 TYR HD2 H 7.09 . . 195 19 19 TYR HE1 H 6.78 . . 196 19 19 TYR HE2 H 6.78 . . 197 19 19 TYR C C 178.42 . . 198 19 19 TYR CA C 61.22 . . 199 19 19 TYR CB C 38.40 . . 200 19 19 TYR CD1 C 133.28 . . 201 19 19 TYR CD2 C 133.28 . . 202 19 19 TYR CE1 C 119.20 . . 203 19 19 TYR CE2 C 119.20 . . 204 19 19 TYR N N 121.05 . . 205 20 20 MET H H 8.47 . . 206 20 20 MET HA H 4.16 . . 207 20 20 MET HB2 H 2.17 . . 208 20 20 MET HB3 H 2.10 . . 209 20 20 MET HG2 H 2.76 . . 210 20 20 MET HG3 H 2.64 . . 211 20 20 MET C C 169.55 . . 212 20 20 MET CA C 60.05 . . 213 20 20 MET CB C 34.41 . . 214 20 20 MET CG C 33.32 . . 215 20 20 MET N N 120.22 . . 216 21 21 ALA H H 8.49 . . 217 21 21 ALA HA H 3.87 . . 218 21 21 ALA HB H 1.52 . . 219 21 21 ALA C C 178.63 . . 220 21 21 ALA CA C 56.76 . . 221 21 21 ALA CB C 19.69 . . 222 21 21 ALA N N 122.28 . . 223 22 22 ALA H H 7.66 . . 224 22 22 ALA HA H 3.90 . . 225 22 22 ALA HB H 1.45 . . 226 22 22 ALA C C 169.20 . . 227 22 22 ALA CA C 56.88 . . 228 22 22 ALA CB C 19.56 . . 229 22 22 ALA N N 120.24 . . 230 23 23 GLN H H 8.43 . . 231 23 23 GLN HA H 3.94 . . 232 23 23 GLN HB2 H 2.14 . . 233 23 23 GLN HB3 H 2.06 . . 234 23 23 GLN HG2 H 2.39 . . 235 23 23 GLN HG3 H 2.33 . . 236 23 23 GLN HE21 H 7.36 . . 237 23 23 GLN HE22 H 6.92 . . 238 23 23 GLN C C 178.50 . . 239 23 23 GLN CA C 59.55 . . 240 23 23 GLN CB C 29.66 . . 241 23 23 GLN CG C 34.80 . . 242 23 23 GLN N N 116.68 . . 243 23 23 GLN NE2 N 111.81 . . 244 24 24 ALA H H 8.13 . . 245 24 24 ALA HA H 4.14 . . 246 24 24 ALA HB H 1.44 . . 247 24 24 ALA C C 171.49 . . 248 24 24 ALA CA C 56.06 . . 249 24 24 ALA CB C 19.76 . . 250 24 24 ALA N N 121.76 . . 251 25 25 LEU H H 8.03 . . 252 25 25 LEU HA H 3.85 . . 253 25 25 LEU HB2 H 2.08 . . 254 25 25 LEU HB3 H 1.14 . . 255 25 25 LEU HG H 1.72 . . 256 25 25 LEU HD1 H 0.59 . . 257 25 25 LEU HD2 H 0.69 . . 258 25 25 LEU C C 177.99 . . 259 25 25 LEU CA C 59.28 . . 260 25 25 LEU CB C 43.19 . . 261 25 25 LEU CG C 28.10 . . 262 25 25 LEU CD1 C 26.76 . . 263 25 25 LEU CD2 C 24.23 . . 264 25 25 LEU N N 118.73 . . 265 26 26 LYS H H 8.00 . . 266 26 26 LYS HA H 3.84 . . 267 26 26 LYS HB2 H 1.89 . . 268 26 26 LYS HB3 H 1.81 . . 269 26 26 LYS HG2 H 1.32 . . 270 26 26 LYS HG3 H 1.32 . . 271 26 26 LYS HD2 H 1.63 . . 272 26 26 LYS HD3 H 1.63 . . 273 26 26 LYS HE2 H 2.97 . . 274 26 26 LYS HE3 H 2.97 . . 275 26 26 LYS C C 169.46 . . 276 26 26 LYS CA C 61.42 . . 277 26 26 LYS CB C 33.44 . . 278 26 26 LYS CG C 27.02 . . 279 26 26 LYS CD C 30.71 . . 280 26 26 LYS CE C 43.24 . . 281 26 26 LYS N N 118.85 . . 282 27 27 LYS H H 8.35 . . 283 27 27 LYS HA H 3.99 . . 284 27 27 LYS HB2 H 1.90 . . 285 27 27 LYS HB3 H 1.83 . . 286 27 27 LYS HG2 H 1.42 . . 287 27 27 LYS HG3 H 1.42 . . 288 27 27 LYS HD2 H 1.68 . . 289 27 27 LYS HD3 H 1.60 . . 290 27 27 LYS HE2 H 2.97 . . 291 27 27 LYS HE3 H 2.97 . . 292 27 27 LYS C C 169.67 . . 293 27 27 LYS CA C 60.70 . . 294 27 27 LYS CB C 33.62 . . 295 27 27 LYS CG C 26.36 . . 296 27 27 LYS CD C 30.46 . . 297 27 27 LYS CE C 42.90 . . 298 27 27 LYS N N 120.35 . . 299 28 28 GLY H H 8.41 . . 300 28 28 GLY HA2 H 3.89 . . 301 28 28 GLY HA3 H 3.25 . . 302 28 28 GLY C C 174.52 . . 303 28 28 GLY CA C 47.87 . . 304 28 28 GLY N N 109.28 . . 305 29 29 ALA H H 8.28 . . 306 29 29 ALA HA H 3.82 . . 307 29 29 ALA HB H 1.22 . . 308 29 29 ALA C C 169.05 . . 309 29 29 ALA CA C 56.84 . . 310 29 29 ALA CB C 18.80 . . 311 29 29 ALA N N 122.37 . . 312 30 30 LYS H H 7.72 . . 313 30 30 LYS HA H 4.13 . . 314 30 30 LYS HB2 H 2.02 . . 315 30 30 LYS HB3 H 1.94 . . 316 30 30 LYS HG2 H 1.49 . . 317 30 30 LYS HG3 H 1.49 . . 318 30 30 LYS HD2 H 1.73 . . 319 30 30 LYS HD3 H 1.73 . . 320 30 30 LYS HE2 H 3.00 . . 321 30 30 LYS HE3 H 3.00 . . 322 30 30 LYS C C 170.33 . . 323 30 30 LYS CA C 60.42 . . 324 30 30 LYS CB C 33.23 . . 325 30 30 LYS CG C 25.88 . . 326 30 30 LYS CD C 30.34 . . 327 30 30 LYS CE C 43.09 . . 328 30 30 LYS N N 117.49 . . 329 31 31 LYS H H 7.93 . . 330 31 31 LYS HA H 4.02 . . 331 31 31 LYS HB2 H 2.03 . . 332 31 31 LYS HB3 H 1.95 . . 333 31 31 LYS HG2 H 1.48 . . 334 31 31 LYS HG3 H 1.48 . . 335 31 31 LYS HD2 H 1.66 . . 336 31 31 LYS HD3 H 1.66 . . 337 31 31 LYS HE2 H 2.97 . . 338 31 31 LYS HE3 H 2.97 . . 339 31 31 LYS C C 178.16 . . 340 31 31 LYS CA C 60.36 . . 341 31 31 LYS CB C 33.38 . . 342 31 31 LYS CG C 25.82 . . 343 31 31 LYS CD C 30.40 . . 344 31 31 LYS CE C 42.97 . . 345 31 31 LYS N N 121.05 . . 346 32 32 MET H H 7.42 . . 347 32 32 MET HA H 4.24 . . 348 32 32 MET HB2 H 2.38 . . 349 32 32 MET HB3 H 1.92 . . 350 32 32 MET HG2 H 2.85 . . 351 32 32 MET HG3 H 2.48 . . 352 32 32 MET HE H 2.48 . . 353 32 32 MET C C 175.81 . . 354 32 32 MET CA C 57.40 . . 355 32 32 MET CB C 37.71 . . 356 32 32 MET CG C 33.09 . . 357 32 32 MET N N 114.62 . . 358 33 33 GLY H H 7.86 . . 359 33 33 GLY HA2 H 4.14 . . 360 33 33 GLY HA3 H 3.84 . . 361 33 33 GLY C C 174.34 . . 362 33 33 GLY CA C 46.83 . . 363 33 33 GLY N N 109.01 . . 364 34 34 ASN H H 8.16 . . 365 34 34 ASN HA H 5.21 . . 366 34 34 ASN HB2 H 2.83 . . 367 34 34 ASN HB3 H 2.11 . . 368 34 34 ASN HD21 H 7.79 . . 369 34 34 ASN HD22 H 5.72 . . 370 34 34 ASN C C 173.08 . . 371 34 34 ASN CA C 52.77 . . 372 34 34 ASN CB C 42.88 . . 373 34 34 ASN N N 116.07 . . 374 34 34 ASN ND2 N 110.37 . . 375 35 35 LEU H H 8.77 . . 376 35 35 LEU HA H 4.62 . . 377 35 35 LEU HB2 H 1.72 . . 378 35 35 LEU HB3 H 1.62 . . 379 35 35 LEU HG H 1.50 . . 380 35 35 LEU HD1 H 0.86 . . 381 35 35 LEU HD2 H 0.85 . . 382 35 35 LEU C C 174.93 . . 383 35 35 LEU CA C 55.15 . . 384 35 35 LEU CB C 44.76 . . 385 35 35 LEU CG C 28.48 . . 386 35 35 LEU CD1 C 26.33 . . 387 35 35 LEU CD2 C 24.55 . . 388 35 35 LEU N N 121.45 . . 389 36 36 ILE H H 8.39 . . 390 36 36 ILE HA H 5.66 . . 391 36 36 ILE HB H 1.17 . . 392 36 36 ILE HG12 H 0.78 . . 393 36 36 ILE HG13 H 1.26 . . 394 36 36 ILE HG2 H 0.75 . . 395 36 36 ILE HD1 H 0.53 . . 396 36 36 ILE C C 172.62 . . 397 36 36 ILE CA C 59.41 . . 398 36 36 ILE CB C 44.34 . . 399 36 36 ILE CG1 C 29.86 . . 400 36 36 ILE CG2 C 17.89 . . 401 36 36 ILE CD1 C 16.65 . . 402 36 36 ILE N N 119.69 . . 403 37 37 LYS H H 7.21 . . 404 37 37 LYS HA H 4.59 . . 405 37 37 LYS HB2 H 1.75 . . 406 37 37 LYS HB3 H 1.66 . . 407 37 37 LYS HG2 H 1.16 . . 408 37 37 LYS HG3 H 1.16 . . 409 37 37 LYS HD2 H 1.47 . . 410 37 37 LYS HD3 H 1.47 . . 411 37 37 LYS HE2 H 2.79 . . 412 37 37 LYS HE3 H 2.79 . . 413 37 37 LYS C C 174.34 . . 414 37 37 LYS CA C 57.05 . . 415 37 37 LYS CB C 36.86 . . 416 37 37 LYS CG C 27.11 . . 417 37 37 LYS CD C 30.63 . . 418 37 37 LYS CE C 43.12 . . 419 37 37 LYS N N 126.23 . . 420 38 38 VAL H H 8.76 . . 421 38 38 VAL HA H 4.92 . . 422 38 38 VAL HB H 1.97 . . 423 38 38 VAL HG1 H 0.84 . . 424 38 38 VAL HG2 H 0.82 . . 425 38 38 VAL C C 174.66 . . 426 38 38 VAL CA C 61.42 . . 427 38 38 VAL CB C 35.02 . . 428 38 38 VAL CG1 C 23.34 . . 429 38 38 VAL CG2 C 22.91 . . 430 38 38 VAL N N 124.27 . . 431 39 39 GLU H H 9.21 . . 432 39 39 GLU HA H 5.02 . . 433 39 39 GLU HB2 H 2.63 . . 434 39 39 GLU HB3 H 2.10 . . 435 39 39 GLU HG2 H 2.36 . . 436 39 39 GLU HG3 H 1.94 . . 437 39 39 GLU C C 175.68 . . 438 39 39 GLU CA C 55.68 . . 439 39 39 GLU CB C 33.94 . . 440 39 39 GLU CG C 39.31 . . 441 39 39 GLU N N 114.80 . . 442 40 40 THR H H 8.50 . . 443 40 40 THR HA H 5.18 . . 444 40 40 THR HB H 3.87 . . 445 40 40 THR HG2 H 1.00 . . 446 40 40 THR C C 174.20 . . 447 40 40 THR CA C 59.71 . . 448 40 40 THR CB C 71.27 . . 449 40 40 THR CG2 C 22.51 . . 450 40 40 THR N N 115.12 . . 451 41 41 GLN H H 8.47 . . 452 41 41 GLN HA H 4.99 . . 453 41 41 GLN HB2 H 2.14 . . 454 41 41 GLN HB3 H 1.83 . . 455 41 41 GLN HG2 H 2.42 . . 456 41 41 GLN HG3 H 2.34 . . 457 41 41 GLN HE21 H 9.37 . . 458 41 41 GLN HE22 H 6.69 . . 459 41 41 GLN C C 175.11 . . 460 41 41 GLN CA C 54.98 . . 461 41 41 GLN CB C 29.78 . . 462 41 41 GLN CG C 34.15 . . 463 41 41 GLN N N 119.85 . . 464 41 41 GLN NE2 N 112.29 . . 465 42 42 GLY H H 7.89 . . 466 42 42 GLY HA2 H 4.56 . . 467 42 42 GLY HA3 H 4.00 . . 468 42 42 GLY C C 174.75 . . 469 42 42 GLY CA C 45.63 . . 470 42 42 GLY N N 109.53 . . 471 43 43 ALA H H 8.73 . . 472 43 43 ALA HA H 4.17 . . 473 43 43 ALA HB H 1.49 . . 474 43 43 ALA C C 169.49 . . 475 43 43 ALA CA C 56.17 . . 476 43 43 ALA CB C 19.91 . . 477 43 43 ALA N N 123.85 . . 478 44 44 THR H H 7.95 . . 479 44 44 THR HA H 4.39 . . 480 44 44 THR HB H 4.47 . . 481 44 44 THR HG2 H 1.15 . . 482 44 44 THR C C 174.26 . . 483 44 44 THR CA C 62.19 . . 484 44 44 THR CB C 70.08 . . 485 44 44 THR CG2 C 22.76 . . 486 44 44 THR N N 122.38 . . 487 45 45 GLY H H 7.56 . . 488 45 45 GLY HA2 H 4.42 . . 489 45 45 GLY HA3 H 3.82 . . 490 45 45 GLY C C 172.38 . . 491 45 45 GLY CA C 45.51 . . 492 45 45 GLY N N 109.36 . . 493 46 46 ILE H H 8.48 . . 494 46 46 ILE HA H 4.78 . . 495 46 46 ILE HB H 1.71 . . 496 46 46 ILE HG12 H 1.63 . . 497 46 46 ILE HG13 H 1.63 . . 498 46 46 ILE HG2 H 0.88 . . 499 46 46 ILE HD1 H 0.79 . . 500 46 46 ILE C C 176.01 . . 501 46 46 ILE CA C 61.95 . . 502 46 46 ILE CB C 40.81 . . 503 46 46 ILE CG1 C 29.16 . . 504 46 46 ILE CG2 C 19.06 . . 505 46 46 ILE CD1 C 14.16 . . 506 46 46 ILE N N 122.05 . . 507 47 47 GLU H H 9.00 . . 508 47 47 GLU HA H 4.66 . . 509 47 47 GLU HB2 H 2.01 . . 510 47 47 GLU HB3 H 2.01 . . 511 47 47 GLU HG2 H 2.18 . . 512 47 47 GLU HG3 H 2.13 . . 513 47 47 GLU C C 174.75 . . 514 47 47 GLU CA C 55.94 . . 515 47 47 GLU CB C 33.64 . . 516 47 47 GLU CG C 37.79 . . 517 47 47 GLU N N 109.16 . . 518 48 48 ASN H H 8.93 . . 519 48 48 ASN HA H 4.23 . . 520 48 48 ASN HB2 H 3.40 . . 521 48 48 ASN HB3 H 2.85 . . 522 48 48 ASN HD21 H 6.86 . . 523 48 48 ASN HD22 H 7.66 . . 524 48 48 ASN C C 173.09 . . 525 48 48 ASN CA C 54.77 . . 526 48 48 ASN CB C 38.80 . . 527 48 48 ASN N N 120.51 . . 528 48 48 ASN ND2 N 114.13 . . 529 49 49 GLU H H 7.69 . . 530 49 49 GLU HA H 3.89 . . 531 49 49 GLU HB2 H 1.77 . . 532 49 49 GLU HB3 H 1.77 . . 533 49 49 GLU HG2 H 2.07 . . 534 49 49 GLU HG3 H 2.07 . . 535 49 49 GLU C C 177.78 . . 536 49 49 GLU CA C 57.87 . . 537 49 49 GLU CB C 31.90 . . 538 49 49 GLU CG C 37.05 . . 539 49 49 GLU N N 114.16 . . 540 50 50 LEU H H 9.56 . . 541 50 50 LEU HA H 4.68 . . 542 50 50 LEU HB2 H 1.86 . . 543 50 50 LEU HB3 H 1.25 . . 544 50 50 LEU HG H 2.23 . . 545 50 50 LEU HD1 H 1.12 . . 546 50 50 LEU HD2 H 0.95 . . 547 50 50 LEU C C 177.49 . . 548 50 50 LEU CA C 55.52 . . 549 50 50 LEU CB C 43.44 . . 550 50 50 LEU CG C 28.11 . . 551 50 50 LEU CD1 C 25.58 . . 552 50 50 LEU CD2 C 25.14 . . 553 50 50 LEU N N 128.55 . . 554 51 51 THR H H 9.38 . . 555 51 51 THR HA H 4.42 . . 556 51 51 THR HB H 4.67 . . 557 51 51 THR HG2 H 1.31 . . 558 51 51 THR C C 175.01 . . 559 51 51 THR CA C 61.23 . . 560 51 51 THR CB C 72.86 . . 561 51 51 THR CG2 C 22.65 . . 562 51 51 THR N N 117.49 . . 563 52 52 GLU H H 8.91 . . 564 52 52 GLU HA H 3.86 . . 565 52 52 GLU HB2 H 2.04 . . 566 52 52 GLU HB3 H 1.96 . . 567 52 52 GLU HG2 H 2.29 . . 568 52 52 GLU HG3 H 2.19 . . 569 52 52 GLU C C 178.66 . . 570 52 52 GLU CA C 61.13 . . 571 52 52 GLU CB C 30.28 . . 572 52 52 GLU CG C 37.29 . . 573 52 52 GLU N N 120.49 . . 574 53 53 LYS H H 7.89 . . 575 53 53 LYS HA H 4.02 . . 576 53 53 LYS HB2 H 1.75 . . 577 53 53 LYS HB3 H 1.67 . . 578 53 53 LYS HG2 H 1.38 . . 579 53 53 LYS HG3 H 1.38 . . 580 53 53 LYS HD2 H 1.48 . . 581 53 53 LYS HD3 H 1.48 . . 582 53 53 LYS HE2 H 2.94 . . 583 53 53 LYS HE3 H 2.94 . . 584 53 53 LYS C C 178.19 . . 585 53 53 LYS CA C 60.39 . . 586 53 53 LYS CB C 33.21 . . 587 53 53 LYS CG C 25.98 . . 588 53 53 LYS CD C 30.21 . . 589 53 53 LYS CE C 42.86 . . 590 53 53 LYS N N 118.66 . . 591 54 54 ASP H H 7.44 . . 592 54 54 ASP HA H 4.20 . . 593 54 54 ASP HB2 H 3.04 . . 594 54 54 ASP HB3 H 2.50 . . 595 54 54 ASP C C 169.07 . . 596 54 54 ASP CA C 58.30 . . 597 54 54 ASP CB C 43.11 . . 598 54 54 ASP N N 118.40 . . 599 55 55 VAL H H 8.15 . . 600 55 55 VAL HA H 3.52 . . 601 55 55 VAL HB H 2.02 . . 602 55 55 VAL HG1 H 0.74 . . 603 55 55 VAL HG2 H 0.86 . . 604 55 55 VAL C C 176.98 . . 605 55 55 VAL CA C 66.95 . . 606 55 55 VAL CB C 32.36 . . 607 55 55 VAL CG1 C 24.60 . . 608 55 55 VAL CG2 C 23.05 . . 609 55 55 VAL N N 118.42 . . 610 56 56 ASN H H 8.00 . . 611 56 56 ASN HA H 4.41 . . 612 56 56 ASN HB2 H 2.86 . . 613 56 56 ASN HB3 H 2.78 . . 614 56 56 ASN HD21 H 7.52 . . 615 56 56 ASN HD22 H 6.98 . . 616 56 56 ASN C C 177.33 . . 617 56 56 ASN CA C 57.17 . . 618 56 56 ASN CB C 39.93 . . 619 56 56 ASN N N 117.10 . . 620 56 56 ASN ND2 N 112.31 . . 621 57 57 ILE H H 7.60 . . 622 57 57 ILE HA H 3.95 . . 623 57 57 ILE HB H 1.88 . . 624 57 57 ILE HG12 H 1.28 . . 625 57 57 ILE HG13 H 1.57 . . 626 57 57 ILE HG2 H 0.90 . . 627 57 57 ILE HD1 H 0.81 . . 628 57 57 ILE C C 176.98 . . 629 57 57 ILE CA C 63.24 . . 630 57 57 ILE CB C 39.89 . . 631 57 57 ILE CG1 C 29.39 . . 632 57 57 ILE CG2 C 19.03 . . 633 57 57 ILE CD1 C 14.52 . . 634 57 57 ILE N N 115.58 . . 635 58 58 GLY H H 7.63 . . 636 58 58 GLY HA2 H 3.63 . . 637 58 58 GLY HA3 H 3.17 . . 638 58 58 GLY C C 173.19 . . 639 58 58 GLY CA C 47.11 . . 640 58 58 GLY N N 108.19 . . 641 59 59 GLU H H 9.35 . . 642 59 59 GLU HA H 4.24 . . 643 59 59 GLU HB2 H 2.22 . . 644 59 59 GLU HB3 H 1.96 . . 645 59 59 GLU HG2 H 2.66 . . 646 59 59 GLU HG3 H 2.35 . . 647 59 59 GLU C C 176.75 . . 648 59 59 GLU CA C 59.83 . . 649 59 59 GLU CB C 33.10 . . 650 59 59 GLU CG C 40.30 . . 651 59 59 GLU N N 123.24 . . 652 60 60 VAL H H 7.64 . . 653 60 60 VAL HA H 4.41 . . 654 60 60 VAL HB H 2.08 . . 655 60 60 VAL HG1 H 0.97 . . 656 60 60 VAL HG2 H 0.64 . . 657 60 60 VAL C C 170.27 . . 658 60 60 VAL CA C 60.71 . . 659 60 60 VAL CB C 35.15 . . 660 60 60 VAL CG1 C 21.75 . . 661 60 60 VAL CG2 C 19.96 . . 662 60 60 VAL N N 114.37 . . 663 61 61 VAL H H 8.29 . . 664 61 61 VAL HA H 4.97 . . 665 61 61 VAL HB H 1.74 . . 666 61 61 VAL HG1 H 0.20 . . 667 61 61 VAL HG2 H 0.70 . . 668 61 61 VAL C C 174.45 . . 669 61 61 VAL CA C 60.26 . . 670 61 61 VAL CB C 34.71 . . 671 61 61 VAL CG1 C 22.76 . . 672 61 61 VAL CG2 C 22.14 . . 673 61 61 VAL N N 125.78 . . 674 62 62 ILE H H 8.58 . . 675 62 62 ILE HA H 4.82 . . 676 62 62 ILE HB H 1.55 . . 677 62 62 ILE HG12 H 0.79 . . 678 62 62 ILE HG13 H 0.79 . . 679 62 62 ILE HG2 H 0.67 . . 680 62 62 ILE C C 175.02 . . 681 62 62 ILE CA C 60.49 . . 682 62 62 ILE CB C 42.56 . . 683 62 62 ILE CG1 C 28.84 . . 684 62 62 ILE CG2 C 17.45 . . 685 62 62 ILE N N 124.74 . . 686 63 63 PHE H H 9.32 . . 687 63 63 PHE HA H 5.49 . . 688 63 63 PHE HB2 H 3.14 . . 689 63 63 PHE HB3 H 2.99 . . 690 63 63 PHE HD1 H 6.92 . . 691 63 63 PHE HD2 H 6.92 . . 692 63 63 PHE HE1 H 6.48 . . 693 63 63 PHE HE2 H 6.48 . . 694 63 63 PHE HZ H 6.77 . . 695 63 63 PHE C C 173.60 . . 696 63 63 PHE CA C 53.02 . . 697 63 63 PHE CB C 40.15 . . 698 63 63 PHE CD1 C 130.76 . . 699 63 63 PHE CD2 C 130.76 . . 700 63 63 PHE CE1 C 132.09 . . 701 63 63 PHE CE2 C 132.09 . . 702 63 63 PHE CZ C 129.15 . . 703 63 63 PHE N N 109.51 . . 704 64 64 ALA H H 8.84 . . 705 64 64 ALA HA H 5.43 . . 706 64 64 ALA HB H 1.05 . . 707 64 64 ALA C C 175.04 . . 708 64 64 ALA CA C 50.74 . . 709 64 64 ALA CB C 19.69 . . 710 64 64 ALA N N 112.79 . . 711 65 65 VAL H H 8.08 . . 712 65 65 VAL HA H 5.69 . . 713 65 65 VAL HB H 2.25 . . 714 65 65 VAL HG1 H 0.66 . . 715 65 65 VAL HG2 H 0.74 . . 716 65 65 VAL C C 175.38 . . 717 65 65 VAL CA C 59.06 . . 718 65 65 VAL CB C 38.80 . . 719 65 65 VAL CG1 C 22.91 . . 720 65 65 VAL CG2 C 19.55 . . 721 65 65 VAL N N 110.26 . . 722 66 66 ASP H H 7.76 . . 723 66 66 ASP HA H 4.87 . . 724 66 66 ASP HB2 H 2.96 . . 725 66 66 ASP HB3 H 2.77 . . 726 66 66 ASP C C 175.60 . . 727 66 66 ASP CA C 53.78 . . 728 66 66 ASP CB C 42.91 . . 729 66 66 ASP N N 119.25 . . 730 67 67 THR H H 7.07 . . 731 67 67 THR HA H 4.51 . . 732 67 67 THR HB H 3.99 . . 733 67 67 THR HG2 H 0.91 . . 734 67 67 THR C C 172.37 . . 735 67 67 THR CA C 59.65 . . 736 67 67 THR CB C 70.23 . . 737 67 67 THR CG2 C 19.19 . . 738 67 67 THR N N 112.33 . . 739 68 68 LYS H H 7.54 . . 740 68 68 LYS HA H 4.08 . . 741 68 68 LYS HB2 H 1.67 . . 742 68 68 LYS HB3 H 1.67 . . 743 68 68 LYS HG2 H 1.38 . . 744 68 68 LYS HD2 H 1.86 . . 745 68 68 LYS HD3 H 1.86 . . 746 68 68 LYS HE2 H 2.96 . . 747 68 68 LYS HE3 H 2.96 . . 748 68 68 LYS C C 176.25 . . 749 68 68 LYS CA C 57.47 . . 750 68 68 LYS CB C 34.02 . . 751 68 68 LYS CG C 25.72 . . 752 68 68 LYS CD C 30.26 . . 753 68 68 LYS CE C 43.13 . . 754 68 68 LYS N N 121.38 . . 755 69 69 VAL H H 8.32 . . 756 69 69 VAL HA H 3.32 . . 757 69 69 VAL HB H 1.38 . . 758 69 69 VAL HG1 H 0.01 . . 759 69 69 VAL HG2 H 0.38 . . 760 69 69 VAL C C 175.89 . . 761 69 69 VAL CA C 64.11 . . 762 69 69 VAL CB C 33.81 . . 763 69 69 VAL CG1 C 23.40 . . 764 69 69 VAL CG2 C 21.50 . . 765 69 69 VAL N N 125.31 . . 766 70 70 ARG H H 9.58 . . 767 70 70 ARG HA H 4.16 . . 768 70 70 ARG HB2 H 1.70 . . 769 70 70 ARG HB3 H 1.48 . . 770 70 70 ARG HG2 H 1.71 . . 771 70 70 ARG HG3 H 1.57 . . 772 70 70 ARG HD2 H 3.07 . . 773 70 70 ARG HD3 H 3.04 . . 774 70 70 ARG C C 177.03 . . 775 70 70 ARG CA C 57.63 . . 776 70 70 ARG CB C 31.44 . . 777 70 70 ARG CG C 28.66 . . 778 70 70 ARG CD C 44.81 . . 779 70 70 ARG N N 111.24 . . 780 71 71 ASN H H 9.17 . . 781 71 71 ASN HA H 4.67 . . 782 71 71 ASN HB2 H 2.92 . . 783 71 71 ASN HB3 H 2.72 . . 784 71 71 ASN HD21 H 7.84 . . 785 71 71 ASN HD22 H 6.85 . . 786 71 71 ASN C C 177.53 . . 787 71 71 ASN CA C 54.77 . . 788 71 71 ASN CB C 37.13 . . 789 71 71 ASN N N 120.66 . . 790 71 71 ASN ND2 N 112.57 . . 791 72 72 LYS H H 8.40 . . 792 72 72 LYS HA H 4.01 . . 793 72 72 LYS HB2 H 1.98 . . 794 72 72 LYS HB3 H 1.87 . . 795 72 72 LYS HG2 H 1.75 . . 796 72 72 LYS HG3 H 1.75 . . 797 72 72 LYS HD2 H 1.38 . . 798 72 72 LYS HD3 H 1.38 . . 799 72 72 LYS HE2 H 3.01 . . 800 72 72 LYS HE3 H 3.01 . . 801 72 72 LYS C C 177.79 . . 802 72 72 LYS CA C 59.91 . . 803 72 72 LYS CB C 33.26 . . 804 72 72 LYS CG C 25.83 . . 805 72 72 LYS CD C 30.71 . . 806 72 72 LYS CE C 42.86 . . 807 72 72 LYS N N 120.73 . . 808 73 73 GLU H H 9.96 . . 809 73 73 GLU HA H 4.16 . . 810 73 73 GLU HB2 H 2.02 . . 811 73 73 GLU HB3 H 2.02 . . 812 73 73 GLU HG2 H 2.38 . . 813 73 73 GLU HG3 H 2.38 . . 814 73 73 GLU C C 177.62 . . 815 73 73 GLU CA C 60.38 . . 816 73 73 GLU CB C 28.66 . . 817 73 73 GLU CG C 37.52 . . 818 73 73 GLU N N 122.67 . . 819 74 74 ARG H H 6.83 . . 820 74 74 ARG HA H 3.77 . . 821 74 74 ARG HB2 H 0.91 . . 822 74 74 ARG HB3 H 0.59 . . 823 74 74 ARG HG2 H 1.61 . . 824 74 74 ARG HG3 H 1.48 . . 825 74 74 ARG HD2 H 3.30 . . 826 74 74 ARG HD3 H 2.54 . . 827 74 74 ARG HE H 7.23 . . 828 74 74 ARG C C 177.38 . . 829 74 74 ARG CA C 59.01 . . 830 74 74 ARG CB C 32.72 . . 831 74 74 ARG CG C 27.13 . . 832 74 74 ARG CD C 44.50 . . 833 74 74 ARG N N 117.37 . . 834 74 74 ARG NE N 84.23 . . 835 75 75 PHE H H 7.67 . . 836 75 75 PHE HA H 4.28 . . 837 75 75 PHE HB2 H 3.23 . . 838 75 75 PHE HB3 H 2.98 . . 839 75 75 PHE HD1 H 7.31 . . 840 75 75 PHE HD2 H 7.31 . . 841 75 75 PHE HE1 H 7.08 . . 842 75 75 PHE HE2 H 7.08 . . 843 75 75 PHE C C 174.87 . . 844 75 75 PHE CA C 57.37 . . 845 75 75 PHE CB C 39.38 . . 846 75 75 PHE CD1 C 133.15 . . 847 75 75 PHE CD2 C 133.15 . . 848 75 75 PHE CE1 C 131.77 . . 849 75 75 PHE CE2 C 131.77 . . 850 75 75 PHE N N 112.92 . . 851 76 76 ASP H H 7.21 . . 852 76 76 ASP HA H 4.38 . . 853 76 76 ASP HB2 H 2.66 . . 854 76 76 ASP HB3 H 2.62 . . 855 76 76 ASP C C 177.38 . . 856 76 76 ASP CA C 57.70 . . 857 76 76 ASP CB C 41.27 . . 858 76 76 ASP N N 121.78 . . 859 77 77 GLY H H 8.92 . . 860 77 77 GLY HA2 H 4.10 . . 861 77 77 GLY HA3 H 3.82 . . 862 77 77 GLY C C 174.31 . . 863 77 77 GLY CA C 46.29 . . 864 77 77 GLY N N 111.91 . . 865 78 78 LYS H H 7.70 . . 866 78 78 LYS HA H 4.54 . . 867 78 78 LYS HB2 H 1.81 . . 868 78 78 LYS HB3 H 1.69 . . 869 78 78 LYS HG2 H 1.20 . . 870 78 78 LYS HG3 H 1.20 . . 871 78 78 LYS HD2 H 1.50 . . 872 78 78 LYS HD3 H 1.50 . . 873 78 78 LYS HE2 H 3.25 . . 874 78 78 LYS HE3 H 2.74 . . 875 78 78 LYS C C 175.91 . . 876 78 78 LYS CA C 53.41 . . 877 78 78 LYS CB C 32.78 . . 878 78 78 LYS CG C 25.31 . . 879 78 78 LYS CD C 27.24 . . 880 78 78 LYS CE C 42.76 . . 881 78 78 LYS N N 117.91 . . 882 79 79 VAL H H 8.89 . . 883 79 79 VAL HA H 3.85 . . 884 79 79 VAL HB H 1.94 . . 885 79 79 VAL HG1 H 0.84 . . 886 79 79 VAL HG2 H 1.02 . . 887 79 79 VAL C C 174.14 . . 888 79 79 VAL CA C 64.81 . . 889 79 79 VAL CB C 32.39 . . 890 79 79 VAL CG1 C 23.75 . . 891 79 79 VAL CG2 C 22.66 . . 892 79 79 VAL N N 124.50 . . 893 80 80 VAL H H 7.86 . . 894 80 80 VAL HA H 4.69 . . 895 80 80 VAL HB H 1.50 . . 896 80 80 VAL HG1 H -0.16 . . 897 80 80 VAL HG2 H 0.35 . . 898 80 80 VAL C C 175.27 . . 899 80 80 VAL CA C 60.67 . . 900 80 80 VAL CB C 35.97 . . 901 80 80 VAL CG1 C 21.12 . . 902 80 80 VAL CG2 C 20.89 . . 903 80 80 VAL N N 125.81 . . 904 81 81 LEU H H 8.79 . . 905 81 81 LEU HA H 4.49 . . 906 81 81 LEU HB2 H 1.74 . . 907 81 81 LEU HB3 H 1.14 . . 908 81 81 LEU HG H 0.80 . . 909 81 81 LEU HD1 H 1.30 . . 910 81 81 LEU HD2 H 0.88 . . 911 81 81 LEU C C 173.93 . . 912 81 81 LEU CA C 54.41 . . 913 81 81 LEU CB C 45.10 . . 914 81 81 LEU CG C 29.32 . . 915 81 81 LEU CD1 C 28.55 . . 916 81 81 LEU CD2 C 24.26 . . 917 81 81 LEU N N 110.55 . . 918 82 82 GLU H H 8.75 . . 919 82 82 GLU HA H 5.46 . . 920 82 82 GLU HB2 H 2.02 . . 921 82 82 GLU HB3 H 1.92 . . 922 82 82 GLU HG2 H 2.25 . . 923 82 82 GLU HG3 H 2.08 . . 924 82 82 GLU C C 175.44 . . 925 82 82 GLU CA C 56.01 . . 926 82 82 GLU CB C 32.10 . . 927 82 82 GLU CG C 37.99 . . 928 82 82 GLU N N 111.07 . . 929 83 83 VAL H H 9.39 . . 930 83 83 VAL HA H 4.95 . . 931 83 83 VAL HB H 2.30 . . 932 83 83 VAL HG1 H 0.89 . . 933 83 83 VAL HG2 H 0.78 . . 934 83 83 VAL C C 172.12 . . 935 83 83 VAL CA C 58.76 . . 936 83 83 VAL CB C 34.57 . . 937 83 83 VAL N N 119.98 . . 938 84 84 PRO HA H 4.74 . . 939 84 84 PRO HB2 H 2.52 . . 940 84 84 PRO HB3 H 1.87 . . 941 84 84 PRO HG2 H 2.03 . . 942 84 84 PRO HG3 H 2.03 . . 943 84 84 PRO HD2 H 3.85 . . 944 84 84 PRO HD3 H 3.59 . . 945 84 84 PRO C C 178.30 . . 946 84 84 PRO CA C 63.33 . . 947 84 84 PRO CB C 33.43 . . 948 84 84 PRO CG C 29.09 . . 949 84 84 PRO CD C 51.50 . . 950 85 85 VAL H H 7.24 . . 951 85 85 VAL HA H 3.32 . . 952 85 85 VAL HB H 1.78 . . 953 85 85 VAL HG1 H 0.84 . . 954 85 85 VAL HG2 H 0.85 . . 955 85 85 VAL C C 174.19 . . 956 85 85 VAL CA C 66.54 . . 957 85 85 VAL CB C 32.97 . . 958 85 85 VAL CG1 C 23.88 . . 959 85 85 VAL CG2 C 21.63 . . 960 85 85 VAL N N 122.39 . . 961 86 86 SER H H 7.60 . . 962 86 86 SER HA H 4.02 . . 963 86 86 SER HB2 H 3.87 . . 964 86 86 SER HB3 H 3.81 . . 965 86 86 SER C C 176.94 . . 966 86 86 SER CA C 60.20 . . 967 86 86 SER CB C 64.06 . . 968 86 86 SER N N 125.59 . . 969 87 87 ALA H H 7.87 . . 970 87 87 ALA HA H 4.28 . . 971 87 87 ALA HB H 1.46 . . 972 87 87 ALA C C 177.37 . . 973 87 87 ALA CA C 57.60 . . 974 87 87 ALA CB C 16.62 . . 975 87 87 ALA N N 125.20 . . 976 88 88 PRO HA H 4.00 . . 977 88 88 PRO HB2 H 1.88 . . 978 88 88 PRO HB3 H 1.82 . . 979 88 88 PRO HG2 H 1.99 . . 980 88 88 PRO HG3 H 1.64 . . 981 88 88 PRO HD2 H 3.44 . . 982 88 88 PRO HD3 H 4.40 . . 983 88 88 PRO C C 175.09 . . 984 88 88 PRO CA C 65.41 . . 985 88 88 PRO CB C 32.13 . . 986 88 88 PRO CG C 29.50 . . 987 88 88 PRO CD C 50.67 . . 988 89 89 ILE H H 6.30 . . 989 89 89 ILE HA H 3.31 . . 990 89 89 ILE HB H 1.85 . . 991 89 89 ILE HG12 H 0.53 . . 992 89 89 ILE HG13 H 1.70 . . 993 89 89 ILE HG2 H 0.85 . . 994 89 89 ILE HD1 H 0.88 . . 995 89 89 ILE C C 177.85 . . 996 89 89 ILE CA C 66.32 . . 997 89 89 ILE CB C 38.79 . . 998 89 89 ILE CG1 C 26.05 . . 999 89 89 ILE CG2 C 17.95 . . 1000 89 89 ILE CD1 C 15.19 . . 1001 89 89 ILE N N 114.70 . . 1002 90 90 LYS H H 7.44 . . 1003 90 90 LYS HA H 4.06 . . 1004 90 90 LYS HB2 H 1.86 . . 1005 90 90 LYS HB3 H 1.77 . . 1006 90 90 LYS HG2 H 1.44 . . 1007 90 90 LYS HG3 H 1.44 . . 1008 90 90 LYS HD2 H 1.65 . . 1009 90 90 LYS HD3 H 1.65 . . 1010 90 90 LYS HE2 H 2.94 . . 1011 90 90 LYS HE3 H 2.94 . . 1012 90 90 LYS C C 177.39 . . 1013 90 90 LYS CA C 59.71 . . 1014 90 90 LYS CB C 33.94 . . 1015 90 90 LYS CG C 26.05 . . 1016 90 90 LYS CD C 30.03 . . 1017 90 90 LYS CE C 43.13 . . 1018 90 90 LYS N N 118.53 . . 1019 91 91 ASP H H 7.70 . . 1020 91 91 ASP HA H 4.53 . . 1021 91 91 ASP HB2 H 2.89 . . 1022 91 91 ASP HB3 H 2.56 . . 1023 91 91 ASP C C 174.35 . . 1024 91 91 ASP CA C 55.12 . . 1025 91 91 ASP CB C 41.53 . . 1026 91 91 ASP N N 114.67 . . 1027 92 92 ALA H H 8.86 . . 1028 92 92 ALA HA H 3.83 . . 1029 92 92 ALA HB H 1.43 . . 1030 92 92 ALA C C 169.33 . . 1031 92 92 ALA CA C 57.22 . . 1032 92 92 ALA CB C 20.70 . . 1033 92 92 ALA N N 111.35 . . 1034 93 93 GLU H H 8.52 . . 1035 93 93 GLU HA H 3.86 . . 1036 93 93 GLU HB2 H 2.10 . . 1037 93 93 GLU HB3 H 2.03 . . 1038 93 93 GLU HG2 H 2.25 . . 1039 93 93 GLU HG3 H 2.25 . . 1040 93 93 GLU C C 177.97 . . 1041 93 93 GLU CA C 61.24 . . 1042 93 93 GLU CB C 30.57 . . 1043 93 93 GLU CG C 38.24 . . 1044 93 93 GLU N N 117.86 . . 1045 94 94 LYS H H 7.67 . . 1046 94 94 LYS HA H 3.93 . . 1047 94 94 LYS HB2 H 1.78 . . 1048 94 94 LYS HB3 H 1.72 . . 1049 94 94 LYS HG2 H 1.43 . . 1050 94 94 LYS HG3 H 1.28 . . 1051 94 94 LYS HD2 H 1.65 . . 1052 94 94 LYS HD3 H 1.65 . . 1053 94 94 LYS HE2 H 2.98 . . 1054 94 94 LYS HE3 H 2.98 . . 1055 94 94 LYS C C 169.84 . . 1056 94 94 LYS CA C 60.60 . . 1057 94 94 LYS CB C 33.55 . . 1058 94 94 LYS CG C 26.13 . . 1059 94 94 LYS CD C 30.50 . . 1060 94 94 LYS CE C 42.91 . . 1061 94 94 LYS N N 119.79 . . 1062 95 95 VAL H H 7.15 . . 1063 95 95 VAL HA H 3.59 . . 1064 95 95 VAL HB H 2.11 . . 1065 95 95 VAL HG1 H 0.90 . . 1066 95 95 VAL HG2 H 0.83 . . 1067 95 95 VAL C C 176.62 . . 1068 95 95 VAL CA C 67.22 . . 1069 95 95 VAL CB C 32.88 . . 1070 95 95 VAL CG1 C 24.43 . . 1071 95 95 VAL CG2 C 24.02 . . 1072 95 95 VAL N N 118.85 . . 1073 96 96 ILE H H 8.38 . . 1074 96 96 ILE HA H 3.38 . . 1075 96 96 ILE HB H 1.67 . . 1076 96 96 ILE HG12 H 0.56 . . 1077 96 96 ILE HG13 H 1.74 . . 1078 96 96 ILE HG2 H 0.74 . . 1079 96 96 ILE HD1 H 0.74 . . 1080 96 96 ILE C C 177.75 . . 1081 96 96 ILE CA C 67.19 . . 1082 96 96 ILE CB C 38.44 . . 1083 96 96 ILE CG1 C 31.29 . . 1084 96 96 ILE CG2 C 19.12 . . 1085 96 96 ILE CD1 C 14.25 . . 1086 96 96 ILE N N 119.12 . . 1087 97 97 ASN H H 8.73 . . 1088 97 97 ASN HA H 4.42 . . 1089 97 97 ASN HB2 H 2.78 . . 1090 97 97 ASN HB3 H 2.57 . . 1091 97 97 ASN HD21 H 7.20 . . 1092 97 97 ASN HD22 H 6.96 . . 1093 97 97 ASN C C 178.38 . . 1094 97 97 ASN CA C 57.43 . . 1095 97 97 ASN CB C 39.03 . . 1096 97 97 ASN N N 117.00 . . 1097 97 97 ASN ND2 N 112.27 . . 1098 98 98 ALA H H 7.95 . . 1099 98 98 ALA HA H 4.10 . . 1100 98 98 ALA HB H 1.46 . . 1101 98 98 ALA C C 169.60 . . 1102 98 98 ALA CA C 55.89 . . 1103 98 98 ALA CB C 18.85 . . 1104 98 98 ALA N N 123.79 . . 1105 99 99 ALA H H 7.93 . . 1106 99 99 ALA HA H 3.93 . . 1107 99 99 ALA HB H 1.38 . . 1108 99 99 ALA C C 178.70 . . 1109 99 99 ALA CA C 55.92 . . 1110 99 99 ALA CB C 18.96 . . 1111 99 99 ALA N N 122.12 . . 1112 100 100 LEU H H 8.22 . . 1113 100 100 LEU HA H 3.90 . . 1114 100 100 LEU HB2 H 1.84 . . 1115 100 100 LEU HB3 H 1.43 . . 1116 100 100 LEU HG H 0.81 . . 1117 100 100 LEU HD1 H 0.62 . . 1118 100 100 LEU HD2 H 0.62 . . 1119 100 100 LEU C C 180.60 . . 1120 100 100 LEU CA C 58.14 . . 1121 100 100 LEU CB C 41.73 . . 1122 100 100 LEU CG C 27.16 . . 1123 100 100 LEU CD1 C 22.64 . . 1124 100 100 LEU CD2 C 22.42 . . 1125 100 100 LEU N N 115.87 . . 1126 101 101 ALA H H 7.97 . . 1127 101 101 ALA HA H 4.10 . . 1128 101 101 ALA HB H 1.45 . . 1129 101 101 ALA C C 169.73 . . 1130 101 101 ALA CA C 55.68 . . 1131 101 101 ALA CB C 18.86 . . 1132 101 101 ALA N N 120.41 . . 1133 102 102 LEU H H 7.33 . . 1134 102 102 LEU HA H 4.12 . . 1135 102 102 LEU HB2 H 2.02 . . 1136 102 102 LEU HB3 H 1.48 . . 1137 102 102 LEU HG H 0.83 . . 1138 102 102 LEU HD1 H 1.98 . . 1139 102 102 LEU HD2 H 0.82 . . 1140 102 102 LEU C C 180.51 . . 1141 102 102 LEU CA C 57.87 . . 1142 102 102 LEU CB C 43.73 . . 1143 102 102 LEU CG C 27.23 . . 1144 102 102 LEU CD1 C 27.07 . . 1145 102 102 LEU CD2 C 23.75 . . 1146 102 102 LEU N N 115.09 . . 1147 103 103 ILE H H 7.14 . . 1148 103 103 ILE HA H 4.43 . . 1149 103 103 ILE HB H 2.06 . . 1150 103 103 ILE HG12 H 1.17 . . 1151 103 103 ILE HG13 H 1.65 . . 1152 103 103 ILE HG2 H 0.99 . . 1153 103 103 ILE HD1 H 0.81 . . 1154 103 103 ILE C C 176.67 . . 1155 103 103 ILE CA C 62.52 . . 1156 103 103 ILE CB C 40.02 . . 1157 103 103 ILE CG1 C 27.59 . . 1158 103 103 ILE CG2 C 19.69 . . 1159 103 103 ILE CD1 C 15.88 . . 1160 103 103 ILE N N 110.17 . . 1161 104 104 ASP H H 8.00 . . 1162 104 104 ASP HA H 4.65 . . 1163 104 104 ASP HB2 H 2.68 . . 1164 104 104 ASP HB3 H 2.60 . . 1165 104 104 ASP C C 176.67 . . 1166 104 104 ASP CA C 56.22 . . 1167 104 104 ASP CB C 42.08 . . 1168 104 104 ASP N N 122.56 . . 1169 105 105 GLU H H 8.03 . . 1170 105 105 GLU HA H 4.30 . . 1171 105 105 GLU HB2 H 2.07 . . 1172 105 105 GLU HB3 H 2.00 . . 1173 105 105 GLU HG2 H 2.30 . . 1174 105 105 GLU HG3 H 2.24 . . 1175 105 105 GLU C C 175.47 . . 1176 105 105 GLU CA C 57.64 . . 1177 105 105 GLU CB C 30.87 . . 1178 105 105 GLU CG C 37.27 . . 1179 105 105 GLU N N 120.75 . . 1180 106 106 LYS H H 7.81 . . 1181 106 106 LYS C C 171.37 . . 1182 106 106 LYS CA C 58.56 . . 1183 106 106 LYS CB C 34.69 . . 1184 106 106 LYS N N 109.45 . . stop_ save_