data_15112 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the reduced Cu,Zn Superoxide Dismutase from Salmonella choleraesuis ; _BMRB_accession_number 15112 _BMRB_flat_file_name bmr15112.str _Entry_type original _Submission_date 2007-01-24 _Accession_date 2007-01-24 _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 Jimenez Beatriz . . 2 Mori Mirko . . 3 Piccioli Mario . . 4 Sette Marco . . 5 Battistoni Andrea . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 856 "13C chemical shifts" 679 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-15 update BMRB 'add related PDB ID' 2009-08-31 update BMRB 'complete entry citation' 2007-06-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of reduced form of copper, zinc superoxide dismutase from Salmonella enterica' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636828 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jimenez Beatriz . . 2 Mori Mirko . . 3 Battistoni Andrea . . 4 Sette Marco . . 5 Piccioli Mario . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 65 _Page_last 67 _Year 2007 _Details . loop_ _Keyword 'Cu, Zn SOD' Metalloproteins stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name holo-c2sod _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label c2sod $c2sod Cu(I) $CU1 Zn(II) $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 c2sod 2 Cu(I) 3 Zn(II) stop_ loop_ _Biological_function 'superoxide dismutase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_c2sod _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common c2sod _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'superoxide dismutase' stop_ _Details ; The complete sequence sequence encoded in the sodc2 gen is reported here bellow: MKRLSLAMVTLLACAGAQAASEKVEMNLVTAQGVGQSIGTVVIDETEGGLKFTPHLKALPPGEHGFHIHANGSCQPAIKDGQAVAAEAAGGHLDPQNTGKHEGPEGQGHLGDLPVLVVNNDGIATEPVTAPRLKSLDEVKDKALMIHVGGDNMSDQPKPLGGGGTRYACGVIK The functional part of the protein starts from Ala20 and it is the way the protein is found in nature. ; ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; ASEKVGMNLVTAQGVGQSIG TVVIDETEGGLKFTPHLKAL PPGEHGFHIHANGSCQPAIK DGQAVAAEAAGGHLDPQNTG KHEGPEGQGHLGDLPVLVVN NDGIATEPVTAPRLKSLDEV KDKALMIHVGGDNMSDQPKP LGGGGTRYACGVIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 20 ALA 2 21 SER 3 22 GLU 4 23 LYS 5 24 VAL 6 25 GLY 7 26 MET 8 27 ASN 9 28 LEU 10 29 VAL 11 30 THR 12 31 ALA 13 32 GLN 14 33 GLY 15 34 VAL 16 35 GLY 17 36 GLN 18 37 SER 19 38 ILE 20 39 GLY 21 40 THR 22 41 VAL 23 42 VAL 24 43 ILE 25 44 ASP 26 45 GLU 27 46 THR 28 47 GLU 29 48 GLY 30 49 GLY 31 50 LEU 32 51 LYS 33 52 PHE 34 53 THR 35 54 PRO 36 55 HIS 37 56 LEU 38 57 LYS 39 58 ALA 40 59 LEU 41 60 PRO 42 61 PRO 43 62 GLY 44 63 GLU 45 64 HIS 46 65 GLY 47 66 PHE 48 67 HIS 49 68 ILE 50 69 HIS 51 70 ALA 52 71 ASN 53 72 GLY 54 73 SER 55 74 CYS 56 75 GLN 57 76 PRO 58 77 ALA 59 78 ILE 60 79 LYS 61 80 ASP 62 81 GLY 63 82 GLN 64 83 ALA 65 84 VAL 66 85 ALA 67 86 ALA 68 87 GLU 69 88 ALA 70 89 ALA 71 90 GLY 72 91 GLY 73 92 HIS 74 93 LEU 75 94 ASP 76 95 PRO 77 96 GLN 78 97 ASN 79 98 THR 80 99 GLY 81 100 LYS 82 101 HIS 83 102 GLU 84 103 GLY 85 104 PRO 86 105 GLU 87 106 GLY 88 107 GLN 89 108 GLY 90 109 HIS 91 110 LEU 92 111 GLY 93 112 ASP 94 113 LEU 95 114 PRO 96 115 VAL 97 116 LEU 98 117 VAL 99 118 VAL 100 119 ASN 101 120 ASN 102 121 ASP 103 122 GLY 104 123 ILE 105 124 ALA 106 125 THR 107 126 GLU 108 127 PRO 109 128 VAL 110 129 THR 111 130 ALA 112 131 PRO 113 132 ARG 114 133 LEU 115 134 LYS 116 135 SER 117 136 LEU 118 137 ASP 119 138 GLU 120 139 VAL 121 140 LYS 122 141 ASP 123 142 LYS 124 143 ALA 125 144 LEU 126 145 MET 127 146 ILE 128 147 HIS 129 148 VAL 130 149 GLY 131 150 GLY 132 151 ASP 133 152 ASN 134 153 MET 135 154 SER 136 155 ASP 137 156 GLN 138 157 PRO 139 158 LYS 140 159 PRO 141 160 LEU 142 161 GLY 143 162 GLY 144 163 GLY 145 164 GLY 146 165 THR 147 166 ARG 148 167 TYR 149 168 ALA 150 169 CYS 151 170 GLY 152 171 VAL 153 172 ILE 154 173 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2K4W "The Solution Structure Of The Monomeric Copper, Zinc Superox Dismutase From Salmonella Enterica" 100.00 154 100.00 100.00 2.43e-104 DBJ BAJ36397 "superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" 100.00 173 97.40 98.70 7.34e-102 DBJ BAP07292 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 100.00 173 97.40 98.70 7.34e-102 EMBL CAD01927 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 173 98.05 98.70 2.54e-102 EMBL CAF06532 "superoxide dismutase [Cu-Zn] precursor [Salmonella enterica subsp. enterica serovar Choleraesuis]" 100.00 173 99.35 99.35 1.14e-103 EMBL CAR33189 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" 100.00 173 99.35 99.35 1.14e-103 EMBL CAR37537 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" 100.00 173 99.35 99.35 1.14e-103 EMBL CAR59488 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" 100.00 173 98.70 99.35 4.43e-103 GB AAC13559 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 173 97.40 98.70 7.34e-102 GB AAL20362 "copper/zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 173 97.40 98.70 7.34e-102 GB AAO68958 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" 100.00 173 98.05 98.70 2.54e-102 GB AAV74622 "Cu/Zn superoxide dismutase [Salmonella enterica subsp. enterica serovar Enteritidis]" 100.00 173 99.35 99.35 1.14e-103 GB AAV77354 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" 100.00 173 98.70 99.35 4.43e-103 PIR AF0694 "copper-zinc superoxide dismutase [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 173 98.05 98.70 2.54e-102 REF NP_456090 "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 173 98.05 98.70 2.54e-102 REF NP_460403 "superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 173 97.40 98.70 7.34e-102 REF WP_000315605 "superoxide dismutase, partial [Salmonella enterica]" 93.51 144 98.61 99.31 2.13e-95 REF WP_000826811 "superoxide dismutase [Salmonella enterica]" 100.00 173 97.40 98.70 2.07e-101 REF WP_000826812 "Superoxide dismutase [Cu-Zn] 2 [Salmonella enterica]" 100.00 173 98.05 98.70 3.06e-102 SP O68901 "RecName: Full=Superoxide dismutase [Cu-Zn] 2; AltName: Full=SodCII; Flags: Precursor" 100.00 173 97.40 98.70 7.34e-102 stop_ save_ ############# # Ligands # ############# save_CU1 _Saveframe_category ligand _Mol_type non-polymer _Name_common "CU1 (COPPER (I) ION)" _BMRB_code . _PDB_code CU1 _Molecular_mass 63.546 _Mol_charge 1 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:17:48 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CU CU CU N 1 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $c2sod 'Salmonella choleraesuis' 591 Bacteria . Salmonella choleraesuis A50 sodC2 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 $c2sod 'recombinant technology' . . . 'QC771 and QC1110' pMCPromEcSOD stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 1.8 mM '[U-95% 13C; U-95% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 1.6 mM '[U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version cara_1.5.3_linux loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI).' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Triple resonance cryo-probe (TXI)' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI)' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI)' 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HNHB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_2D_CACO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CACO' _Sample_label $sample_1 save_ save_2D_CBCACO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBCACO' _Sample_label $sample_1 save_ save_2D_CON_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_2D_CC-COSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CC-COSY' _Sample_label $sample_1 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' 0.02 0.0001 M pH 6.0 0.1 pH pressure 1 . atm temperature 298 0.1 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '2D CACO' '2D CBCACO' '2D CON' '2D CC-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name c2sod _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 20 1 ALA H H 6.718 0.070 1 2 20 1 ALA HA H 4.127 0.070 1 3 20 1 ALA HB H 1.455 0.070 1 4 20 1 ALA C C 172.585 0.160 1 5 20 1 ALA CA C 51.852 0.110 1 6 20 1 ALA CB C 19.843 0.170 1 7 20 1 ALA N N 130.638 0.390 1 8 21 2 SER H H 8.213 0.070 1 9 21 2 SER HA H 5.665 0.070 1 10 21 2 SER HB2 H 3.643 0.070 2 11 21 2 SER HB3 H 3.581 0.070 2 12 21 2 SER C C 173.941 0.160 1 13 21 2 SER CA C 56.265 0.110 1 14 21 2 SER CB C 66.471 0.170 1 15 21 2 SER N N 113.446 0.390 1 16 22 3 GLU H H 8.990 0.070 1 17 22 3 GLU HA H 4.588 0.070 1 18 22 3 GLU HB2 H 2.013 0.070 2 19 22 3 GLU HB3 H 1.756 0.070 2 20 22 3 GLU HG2 H 2.260 0.070 2 21 22 3 GLU HG3 H 2.140 0.070 2 22 22 3 GLU C C 173.201 0.160 1 23 22 3 GLU CA C 55.242 0.110 1 24 22 3 GLU CB C 33.070 0.170 1 25 22 3 GLU CG C 33.836 0.170 1 26 22 3 GLU CD C 180.030 0.170 1 27 22 3 GLU N N 122.905 0.390 1 28 23 4 LYS H H 8.797 0.070 1 29 23 4 LYS HA H 4.729 0.070 1 30 23 4 LYS HB2 H 1.671 0.070 1 31 23 4 LYS HB3 H 1.671 0.070 1 32 23 4 LYS HG2 H 1.347 0.070 1 33 23 4 LYS HG3 H 1.347 0.070 1 34 23 4 LYS HD2 H 1.623 0.070 1 35 23 4 LYS HD3 H 1.603 0.070 1 36 23 4 LYS HE2 H 2.994 0.070 1 37 23 4 LYS HE3 H 2.994 0.070 1 38 23 4 LYS C C 175.313 0.160 1 39 23 4 LYS CA C 55.772 0.110 1 40 23 4 LYS CB C 33.581 0.170 1 41 23 4 LYS CG C 24.453 0.170 1 42 23 4 LYS CD C 29.205 0.170 1 43 23 4 LYS CE C 41.627 0.170 1 44 23 4 LYS N N 125.924 0.390 1 45 24 5 VAL H H 9.240 0.070 1 46 24 5 VAL HA H 4.282 0.070 1 47 24 5 VAL HB H 2.116 0.070 1 48 24 5 VAL HG1 H 0.935 0.070 2 49 24 5 VAL HG2 H 0.790 0.070 2 50 24 5 VAL C C 175.934 0.160 1 51 24 5 VAL CA C 61.086 0.110 1 52 24 5 VAL CB C 33.940 0.170 1 53 24 5 VAL CG1 C 21.965 0.170 2 54 24 5 VAL CG2 C 20.262 0.170 2 55 24 5 VAL N N 128.228 0.390 1 56 25 6 GLY H H 8.970 0.070 1 57 25 6 GLY HA2 H 4.214 0.070 2 58 25 6 GLY HA3 H 3.684 0.070 2 59 25 6 GLY C C 172.902 0.160 1 60 25 6 GLY CA C 45.849 0.110 1 61 25 6 GLY N N 117.136 0.390 1 62 26 7 MET H H 8.193 0.070 1 63 26 7 MET HA H 5.106 0.070 1 64 26 7 MET HB2 H 1.507 0.070 2 65 26 7 MET HB3 H 1.339 0.070 2 66 26 7 MET HG2 H 2.453 0.070 2 67 26 7 MET HG3 H 2.201 0.070 2 68 26 7 MET HE H 1.782 0.070 1 69 26 7 MET C C 175.903 0.160 1 70 26 7 MET CA C 51.886 0.110 1 71 26 7 MET CB C 32.963 0.170 1 72 26 7 MET CG C 32.365 0.170 1 73 26 7 MET CE C 15.928 0.170 1 74 26 7 MET N N 121.772 0.390 1 75 27 8 ASN H H 8.489 0.070 1 76 27 8 ASN HA H 5.475 0.070 1 77 27 8 ASN HB2 H 2.538 0.070 2 78 27 8 ASN HB3 H 2.196 0.070 2 79 27 8 ASN HD21 H 7.721 0.070 2 80 27 8 ASN HD22 H 7.077 0.070 2 81 27 8 ASN C C 175.211 0.160 1 82 27 8 ASN CA C 52.350 0.110 1 83 27 8 ASN CB C 42.292 0.170 1 84 27 8 ASN CG C 177.829 0.170 1 85 27 8 ASN N N 119.939 0.390 1 86 27 8 ASN ND2 N 114.283 0.390 1 87 28 9 LEU H H 8.397 0.070 1 88 28 9 LEU HA H 4.304 0.070 1 89 28 9 LEU HB2 H 1.570 0.070 2 90 28 9 LEU HB3 H 1.345 0.070 2 91 28 9 LEU HG H 1.648 0.070 1 92 28 9 LEU HD1 H 0.792 0.070 2 93 28 9 LEU HD2 H 0.565 0.070 2 94 28 9 LEU C C 176.840 0.160 1 95 28 9 LEU CA C 55.654 0.110 1 96 28 9 LEU CB C 42.130 0.170 1 97 28 9 LEU CG C 26.414 0.170 1 98 28 9 LEU CD1 C 25.169 0.170 2 99 28 9 LEU CD2 C 23.206 0.170 2 100 28 9 LEU N N 121.222 0.390 1 101 29 10 VAL H H 7.271 0.070 1 102 29 10 VAL HA H 5.025 0.070 1 103 29 10 VAL HB H 2.218 0.070 1 104 29 10 VAL HG1 H 1.009 0.070 2 105 29 10 VAL HG2 H 0.263 0.070 2 106 29 10 VAL C C 175.155 0.160 1 107 29 10 VAL CA C 58.981 0.110 1 108 29 10 VAL CB C 34.867 0.170 1 109 29 10 VAL CG1 C 24.913 0.170 2 110 29 10 VAL CG2 C 17.210 0.170 2 111 29 10 VAL N N 111.194 0.390 1 112 30 11 THR H H 8.551 0.070 1 113 30 11 THR HA H 4.600 0.070 1 114 30 11 THR HB H 4.572 0.070 1 115 30 11 THR HG2 H 1.028 0.070 1 116 30 11 THR C C 174.730 0.160 1 117 30 11 THR CA C 59.626 0.110 1 118 30 11 THR CB C 73.067 0.170 1 119 30 11 THR CG2 C 21.044 0.170 1 120 30 11 THR N N 113.010 0.390 1 121 31 12 ALA H H 8.995 0.070 1 122 31 12 ALA HA H 3.681 0.070 1 123 31 12 ALA HB H 1.330 0.070 1 124 31 12 ALA C C 175.587 0.160 1 125 31 12 ALA CA C 54.332 0.110 1 126 31 12 ALA CB C 18.194 0.170 1 127 31 12 ALA N N 122.243 0.390 1 128 32 13 GLN H H 7.552 0.070 1 129 32 13 GLN HA H 4.165 0.070 1 130 32 13 GLN HB2 H 2.061 0.070 2 131 32 13 GLN HB3 H 1.749 0.070 2 132 32 13 GLN HG2 H 2.331 0.070 2 133 32 13 GLN HG3 H 2.221 0.070 2 134 32 13 GLN HE21 H 7.541 0.070 2 135 32 13 GLN HE22 H 6.817 0.070 2 136 32 13 GLN C C 176.471 0.160 1 137 32 13 GLN CA C 56.163 0.110 1 138 32 13 GLN CB C 29.592 0.170 1 139 32 13 GLN CG C 34.671 0.170 1 140 32 13 GLN CD C 180.723 0.170 1 141 32 13 GLN N N 111.225 0.390 1 142 32 13 GLN NE2 N 113.249 0.390 1 143 33 14 GLY H H 7.438 0.070 1 144 33 14 GLY HA2 H 4.421 0.070 2 145 33 14 GLY HA3 H 3.523 0.070 2 146 33 14 GLY C C 171.063 0.160 1 147 33 14 GLY CA C 45.686 0.110 1 148 33 14 GLY N N 108.069 0.390 1 149 34 15 VAL H H 8.612 0.070 1 150 34 15 VAL HA H 4.140 0.070 1 151 34 15 VAL HB H 1.870 0.070 1 152 34 15 VAL HG1 H 0.894 0.070 2 153 34 15 VAL HG2 H 0.709 0.070 2 154 34 15 VAL C C 176.070 0.160 1 155 34 15 VAL CA C 62.715 0.110 1 156 34 15 VAL CB C 32.470 0.170 1 157 34 15 VAL CG1 C 21.230 0.170 1 158 34 15 VAL CG2 C 21.230 0.170 1 159 34 15 VAL N N 125.670 0.390 1 160 35 16 GLY H H 9.095 0.070 1 161 35 16 GLY HA2 H 4.458 0.070 2 162 35 16 GLY HA3 H 3.439 0.070 2 163 35 16 GLY C C 174.342 0.160 1 164 35 16 GLY CA C 43.722 0.110 1 165 35 16 GLY N N 118.426 0.390 1 166 36 17 GLN H H 8.664 0.070 1 167 36 17 GLN HA H 4.105 0.070 1 168 36 17 GLN HB2 H 2.019 0.070 1 169 36 17 GLN HB3 H 2.019 0.070 1 170 36 17 GLN HG2 H 2.389 0.070 2 171 36 17 GLN HG3 H 2.314 0.070 2 172 36 17 GLN HE21 H 7.436 0.070 2 173 36 17 GLN HE22 H 6.921 0.070 2 174 36 17 GLN C C 175.529 0.160 1 175 36 17 GLN CA C 56.095 0.110 1 176 36 17 GLN CB C 29.915 0.170 1 177 36 17 GLN CG C 33.298 0.170 1 178 36 17 GLN CD C 180.623 0.170 1 179 36 17 GLN N N 123.377 0.390 1 180 36 17 GLN NE2 N 112.981 0.390 1 181 37 18 SER H H 8.612 0.070 1 182 37 18 SER HA H 4.811 0.070 1 183 37 18 SER HB2 H 3.991 0.070 2 184 37 18 SER HB3 H 3.736 0.070 2 185 37 18 SER C C 177.293 0.160 1 186 37 18 SER CA C 58.268 0.110 1 187 37 18 SER CB C 63.430 0.170 1 188 37 18 SER N N 116.326 0.390 1 189 38 19 ILE H H 8.499 0.070 1 190 38 19 ILE HA H 4.621 0.070 1 191 38 19 ILE HB H 2.856 0.070 1 192 38 19 ILE HG12 H 1.012 0.070 2 193 38 19 ILE HG13 H 0.514 0.070 2 194 38 19 ILE HG2 H 0.857 0.070 1 195 38 19 ILE HD1 H 0.674 0.070 1 196 38 19 ILE C C 174.078 0.160 1 197 38 19 ILE CA C 60.984 0.110 1 198 38 19 ILE CB C 37.580 0.170 1 199 38 19 ILE CG1 C 26.721 0.170 1 200 38 19 ILE CG2 C 18.558 0.170 1 201 38 19 ILE CD1 C 15.293 0.170 1 202 38 19 ILE N N 119.730 0.390 1 203 39 20 GLY H H 7.800 0.070 1 204 39 20 GLY HA2 H 5.489 0.070 2 205 39 20 GLY HA3 H 3.736 0.070 2 206 39 20 GLY C C 173.242 0.160 1 207 39 20 GLY CA C 43.762 0.110 1 208 39 20 GLY N N 109.038 0.390 1 209 40 21 THR H H 7.719 0.070 1 210 40 21 THR HA H 5.393 0.070 1 211 40 21 THR HB H 3.750 0.070 1 212 40 21 THR HG2 H 1.031 0.070 1 213 40 21 THR C C 173.641 0.160 1 214 40 21 THR CA C 59.049 0.110 1 215 40 21 THR CB C 73.890 0.170 1 216 40 21 THR CG2 C 22.036 0.170 1 217 40 21 THR N N 112.231 0.390 1 218 41 22 VAL H H 9.022 0.070 1 219 41 22 VAL HA H 4.488 0.070 1 220 41 22 VAL HB H 1.823 0.070 1 221 41 22 VAL HG1 H 0.935 0.070 1 222 41 22 VAL HG2 H 0.935 0.070 1 223 41 22 VAL C C 174.469 0.160 1 224 41 22 VAL CA C 61.406 0.110 1 225 41 22 VAL CB C 35.124 0.170 1 226 41 22 VAL CG1 C 22.005 0.170 1 227 41 22 VAL CG2 C 22.005 0.170 1 228 41 22 VAL N N 121.272 0.390 1 229 42 23 VAL H H 8.807 0.070 1 230 42 23 VAL HA H 4.580 0.070 1 231 42 23 VAL HB H 1.938 0.070 1 232 42 23 VAL HG1 H 0.984 0.070 2 233 42 23 VAL HG2 H 0.793 0.070 2 234 42 23 VAL C C 175.005 0.160 1 235 42 23 VAL CA C 61.598 0.110 1 236 42 23 VAL CB C 32.997 0.170 1 237 42 23 VAL CG1 C 21.993 0.170 2 238 42 23 VAL CG2 C 21.151 0.170 2 239 42 23 VAL N N 129.406 0.390 1 240 43 24 ILE H H 9.272 0.070 1 241 43 24 ILE HA H 4.801 0.070 1 242 43 24 ILE HB H 1.433 0.070 1 243 43 24 ILE HG12 H 1.508 0.070 2 244 43 24 ILE HG13 H 0.490 0.070 2 245 43 24 ILE HG2 H 0.007 0.070 1 246 43 24 ILE HD1 H 0.665 0.070 1 247 43 24 ILE C C 174.579 0.160 1 248 43 24 ILE CA C 59.558 0.110 1 249 43 24 ILE CB C 38.711 0.170 1 250 43 24 ILE CG1 C 26.082 0.170 1 251 43 24 ILE CG2 C 18.186 0.170 1 252 43 24 ILE CD1 C 15.222 0.170 1 253 43 24 ILE N N 130.483 0.390 1 254 44 25 ASP H H 9.050 0.070 1 255 44 25 ASP HA H 5.234 0.070 1 256 44 25 ASP HB2 H 2.356 0.070 2 257 44 25 ASP HB3 H 2.219 0.070 2 258 44 25 ASP C C 175.761 0.160 1 259 44 25 ASP CA C 52.905 0.110 1 260 44 25 ASP CB C 45.365 0.170 1 261 44 25 ASP CG C 179.408 0.170 1 262 44 25 ASP N N 125.184 0.390 1 263 45 26 GLU H H 7.869 0.070 1 264 45 26 GLU HA H 4.229 0.070 1 265 45 26 GLU HB2 H 2.026 0.070 2 266 45 26 GLU HB3 H 1.969 0.070 2 267 45 26 GLU HG2 H 2.265 0.070 2 268 45 26 GLU HG3 H 2.049 0.070 2 269 45 26 GLU C C 176.459 0.160 1 270 45 26 GLU CA C 56.488 0.110 1 271 45 26 GLU CB C 29.560 0.170 1 272 45 26 GLU CG C 36.642 0.170 1 273 45 26 GLU CD C 183.950 0.170 1 274 45 26 GLU N N 120.792 0.390 1 275 46 27 THR H H 7.634 0.070 1 276 46 27 THR HA H 4.989 0.070 1 277 46 27 THR HB H 4.416 0.070 1 278 46 27 THR HG2 H 1.125 0.070 1 279 46 27 THR C C 175.687 0.160 1 280 46 27 THR CA C 59.897 0.110 1 281 46 27 THR CB C 73.261 0.170 1 282 46 27 THR CG2 C 21.479 0.170 1 283 46 27 THR N N 116.104 0.390 1 284 47 28 GLU H H 9.301 0.070 1 285 47 28 GLU HA H 4.117 0.070 1 286 47 28 GLU HB2 H 2.054 0.070 2 287 47 28 GLU HB3 H 2.002 0.070 2 288 47 28 GLU HG2 H 2.317 0.070 2 289 47 28 GLU HG3 H 2.297 0.070 2 290 47 28 GLU C C 176.925 0.160 1 291 47 28 GLU CA C 58.675 0.110 1 292 47 28 GLU CB C 28.905 0.170 1 293 47 28 GLU CG C 35.988 0.170 1 294 47 28 GLU CD C 184.113 0.170 1 295 47 28 GLU N N 122.400 0.390 1 296 48 29 GLY H H 8.025 0.070 1 297 48 29 GLY HA2 H 4.368 0.070 2 298 48 29 GLY HA3 H 3.477 0.070 2 299 48 29 GLY C C 172.820 0.160 1 300 48 29 GLY CA C 44.350 0.110 1 301 48 29 GLY N N 106.896 0.390 1 302 49 30 GLY H H 7.144 0.070 1 303 49 30 GLY HA2 H 4.694 0.070 2 304 49 30 GLY HA3 H 4.027 0.070 2 305 49 30 GLY C C 175.075 0.160 1 306 49 30 GLY CA C 43.413 0.110 1 307 49 30 GLY N N 107.924 0.390 1 308 50 31 LEU H H 7.684 0.070 1 309 50 31 LEU HA H 4.460 0.070 1 310 50 31 LEU HB2 H 1.665 0.070 2 311 50 31 LEU HB3 H 0.647 0.070 2 312 50 31 LEU HG H 1.559 0.070 1 313 50 31 LEU HD1 H 0.604 0.070 2 314 50 31 LEU HD2 H 0.438 0.070 2 315 50 31 LEU C C 174.221 0.160 1 316 50 31 LEU CA C 55.179 0.110 1 317 50 31 LEU CB C 42.407 0.170 1 318 50 31 LEU CG C 28.865 0.170 1 319 50 31 LEU CD1 C 26.086 0.170 2 320 50 31 LEU CD2 C 23.290 0.170 2 321 50 31 LEU N N 121.794 0.390 1 322 51 32 LYS H H 8.831 0.070 1 323 51 32 LYS HA H 5.091 0.070 1 324 51 32 LYS HB2 H 1.707 0.070 2 325 51 32 LYS HB3 H 1.512 0.070 2 326 51 32 LYS HG2 H 1.302 0.070 1 327 51 32 LYS HG3 H 1.302 0.070 1 328 51 32 LYS HD2 H 1.567 0.070 1 329 51 32 LYS HD3 H 1.567 0.070 1 330 51 32 LYS HE2 H 2.848 0.070 2 331 51 32 LYS HE3 H 2.761 0.070 2 332 51 32 LYS C C 174.936 0.160 1 333 51 32 LYS CA C 54.367 0.110 1 334 51 32 LYS CB C 36.440 0.170 1 335 51 32 LYS CG C 24.663 0.170 1 336 51 32 LYS CD C 29.773 0.170 1 337 51 32 LYS CE C 41.899 0.170 1 338 51 32 LYS N N 125.700 0.390 1 339 52 33 PHE H H 9.855 0.070 1 340 52 33 PHE HA H 4.878 0.070 1 341 52 33 PHE HB2 H 3.417 0.070 2 342 52 33 PHE HB3 H 2.448 0.070 2 343 52 33 PHE HD1 H 7.025 0.070 1 344 52 33 PHE HD2 H 7.025 0.070 1 345 52 33 PHE HE1 H 6.622 0.070 1 346 52 33 PHE HE2 H 6.622 0.070 1 347 52 33 PHE HZ H 6.675 0.070 1 348 52 33 PHE C C 175.184 0.160 1 349 52 33 PHE CA C 55.824 0.110 1 350 52 33 PHE CB C 39.331 0.170 1 351 52 33 PHE CG C 139.112 0.170 1 352 52 33 PHE CD1 C 131.812 0.170 1 353 52 33 PHE CD2 C 131.812 0.170 1 354 52 33 PHE CE1 C 129.385 0.170 1 355 52 33 PHE CE2 C 129.385 0.170 1 356 52 33 PHE CZ C 126.353 0.170 1 357 52 33 PHE N N 128.087 0.390 1 358 53 34 THR H H 9.756 0.070 1 359 53 34 THR HA H 4.626 0.070 1 360 53 34 THR HB H 4.075 0.070 1 361 53 34 THR HG2 H 0.983 0.070 1 362 53 34 THR C C 173.237 0.160 1 363 53 34 THR CA C 60.135 0.110 1 364 53 34 THR CB C 69.105 0.170 1 365 53 34 THR CG2 C 21.037 0.170 1 366 53 34 THR N N 121.983 0.390 1 367 54 35 PRO HA H 4.597 0.070 1 368 54 35 PRO HB2 H 1.787 0.070 2 369 54 35 PRO HB3 H 1.587 0.070 2 370 54 35 PRO HG2 H 1.755 0.070 2 371 54 35 PRO HG3 H 1.702 0.070 2 372 54 35 PRO HD2 H 3.907 0.070 2 373 54 35 PRO HD3 H 3.401 0.070 2 374 54 35 PRO C C 174.105 0.160 1 375 54 35 PRO CA C 62.342 0.110 1 376 54 35 PRO CB C 32.249 0.170 1 377 54 35 PRO CG C 25.888 0.170 1 378 54 35 PRO CD C 51.437 0.170 1 379 54 35 PRO N N 140.373 0.390 1 380 55 36 HIS H H 8.842 0.070 1 381 55 36 HIS HA H 4.789 0.070 1 382 55 36 HIS HB2 H 3.218 0.070 2 383 55 36 HIS HB3 H 3.119 0.070 2 384 55 36 HIS HD2 H 6.875 0.070 1 385 55 36 HIS HE1 H 8.241 0.070 1 386 55 36 HIS C C 175.048 0.160 1 387 55 36 HIS CA C 55.320 0.110 1 388 55 36 HIS CB C 28.211 0.170 1 389 55 36 HIS CG C 133.143 0.170 1 390 55 36 HIS CD2 C 119.101 0.170 1 391 55 36 HIS CE1 C 136.681 0.170 1 392 55 36 HIS N N 122.733 0.390 1 393 56 37 LEU H H 7.711 0.070 1 394 56 37 LEU HA H 5.540 0.070 1 395 56 37 LEU HB2 H 1.650 0.070 2 396 56 37 LEU HB3 H 1.329 0.070 2 397 56 37 LEU HG H 1.574 0.070 1 398 56 37 LEU HD1 H 0.514 0.070 2 399 56 37 LEU HD2 H 0.520 0.070 2 400 56 37 LEU C C 175.908 0.160 1 401 56 37 LEU CA C 52.837 0.110 1 402 56 37 LEU CB C 46.699 0.170 1 403 56 37 LEU CG C 26.102 0.170 1 404 56 37 LEU CD1 C 26.701 0.170 2 405 56 37 LEU CD2 C 23.832 0.170 2 406 56 37 LEU N N 121.978 0.390 1 407 57 38 LYS H H 8.251 0.070 1 408 57 38 LYS HA H 4.943 0.070 1 409 57 38 LYS HB2 H 1.717 0.070 1 410 57 38 LYS HB3 H 1.717 0.070 1 411 57 38 LYS HG2 H 1.367 0.070 2 412 57 38 LYS HG3 H 1.202 0.070 2 413 57 38 LYS HD2 H 1.572 0.070 1 414 57 38 LYS HD3 H 1.572 0.070 1 415 57 38 LYS HE2 H 2.851 0.070 1 416 57 38 LYS HE3 H 2.851 0.070 1 417 57 38 LYS C C 172.748 0.160 1 418 57 38 LYS CA C 54.228 0.110 1 419 57 38 LYS CB C 35.199 0.170 1 420 57 38 LYS CG C 23.184 0.170 1 421 57 38 LYS CD C 29.383 0.170 1 422 57 38 LYS CE C 42.043 0.170 1 423 57 38 LYS N N 121.275 0.390 1 424 58 39 ALA H H 8.056 0.070 1 425 58 39 ALA HA H 3.935 0.070 1 426 58 39 ALA HB H 1.417 0.070 1 427 58 39 ALA C C 176.914 0.160 1 428 58 39 ALA CA C 52.565 0.110 1 429 58 39 ALA CB C 16.642 0.170 1 430 58 39 ALA N N 114.869 0.390 1 431 59 40 LEU H H 8.422 0.070 1 432 59 40 LEU HA H 4.661 0.070 1 433 59 40 LEU HB2 H 1.310 0.070 2 434 59 40 LEU HB3 H 0.616 0.070 2 435 59 40 LEU HG H 1.557 0.070 1 436 59 40 LEU HD1 H 0.437 0.070 2 437 59 40 LEU HD2 H 0.516 0.070 2 438 59 40 LEU C C 174.507 0.160 1 439 59 40 LEU CA C 52.086 0.110 1 440 59 40 LEU CB C 44.416 0.170 1 441 59 40 LEU CG C 26.189 0.170 1 442 59 40 LEU CD1 C 27.624 0.170 2 443 59 40 LEU CD2 C 24.730 0.170 2 444 59 40 LEU N N 119.630 0.390 1 445 60 41 PRO HA H 4.629 0.070 1 446 60 41 PRO HB2 H 2.322 0.070 2 447 60 41 PRO HB3 H 1.595 0.070 2 448 60 41 PRO HG2 H 1.671 0.070 2 449 60 41 PRO HG3 H 1.502 0.070 2 450 60 41 PRO HD2 H 3.318 0.070 2 451 60 41 PRO HD3 H 2.359 0.070 2 452 60 41 PRO C C 175.595 0.160 1 453 60 41 PRO CA C 60.138 0.110 1 454 60 41 PRO CB C 30.918 0.170 1 455 60 41 PRO CG C 27.389 0.170 1 456 60 41 PRO CD C 49.769 0.170 1 457 60 41 PRO N N 136.698 0.390 1 458 61 42 PRO HA H 3.885 0.070 1 459 61 42 PRO HB2 H 2.170 0.070 2 460 61 42 PRO HB3 H 1.737 0.070 2 461 61 42 PRO HG2 H 2.067 0.070 2 462 61 42 PRO HG3 H 1.938 0.070 2 463 61 42 PRO HD2 H 3.975 0.070 2 464 61 42 PRO HD3 H 3.528 0.070 2 465 61 42 PRO C C 176.133 0.160 1 466 61 42 PRO CA C 63.653 0.110 1 467 61 42 PRO CB C 33.109 0.170 1 468 61 42 PRO CG C 27.786 0.170 1 469 61 42 PRO CD C 50.934 0.170 1 470 61 42 PRO N N 140.237 0.390 1 471 62 43 GLY H H 8.522 0.070 1 472 62 43 GLY HA2 H 4.422 0.070 2 473 62 43 GLY HA3 H 3.679 0.070 2 474 62 43 GLY C C 172.892 0.160 1 475 62 43 GLY CA C 43.273 0.110 1 476 62 43 GLY N N 111.996 0.390 1 477 63 44 GLU H H 8.211 0.070 1 478 63 44 GLU HA H 4.583 0.070 1 479 63 44 GLU HB2 H 1.789 0.070 2 480 63 44 GLU HB3 H 1.592 0.070 2 481 63 44 GLU HG2 H 2.266 0.070 2 482 63 44 GLU HG3 H 1.983 0.070 2 483 63 44 GLU C C 176.709 0.160 1 484 63 44 GLU CA C 55.552 0.110 1 485 63 44 GLU CB C 30.655 0.170 1 486 63 44 GLU CG C 36.660 0.170 1 487 63 44 GLU CD C 182.878 0.170 1 488 63 44 GLU N N 119.746 0.390 1 489 64 45 HIS H H 8.950 0.070 1 490 64 45 HIS HA H 4.991 0.070 1 491 64 45 HIS HB2 H 3.505 0.070 2 492 64 45 HIS HB3 H 2.590 0.070 2 493 64 45 HIS HD1 H 12.765 0.070 1 494 64 45 HIS HD2 H 6.926 0.070 1 495 64 45 HIS HE1 H 8.540 0.070 1 496 64 45 HIS HE2 H 13.136 0.070 1 497 64 45 HIS C C 173.900 0.160 1 498 64 45 HIS CA C 53.448 0.110 1 499 64 45 HIS CB C 31.324 0.170 1 500 64 45 HIS CG C 131.067 0.170 1 501 64 45 HIS CD2 C 120.008 0.170 1 502 64 45 HIS CE1 C 135.973 0.170 1 503 64 45 HIS N N 119.461 0.390 1 504 64 45 HIS ND1 N 175.378 0.390 1 505 64 45 HIS NE2 N 173.217 0.390 1 506 65 46 GLY H H 9.716 0.070 1 507 65 46 GLY HA2 H 4.039 0.070 2 508 65 46 GLY HA3 H 3.080 0.070 2 509 65 46 GLY C C 171.433 0.160 1 510 65 46 GLY CA C 46.453 0.110 1 511 65 46 GLY N N 110.432 0.390 1 512 66 47 PHE H H 9.638 0.070 1 513 66 47 PHE HA H 5.807 0.070 1 514 66 47 PHE HB2 H 3.597 0.070 2 515 66 47 PHE HB3 H 2.677 0.070 2 516 66 47 PHE HD1 H 7.413 0.070 1 517 66 47 PHE HD2 H 7.413 0.070 1 518 66 47 PHE HE1 H 6.949 0.070 1 519 66 47 PHE HE2 H 6.949 0.070 1 520 66 47 PHE HZ H 6.771 0.070 1 521 66 47 PHE C C 172.748 0.160 1 522 66 47 PHE CA C 53.192 0.110 1 523 66 47 PHE CB C 40.558 0.170 1 524 66 47 PHE CG C 141.338 0.170 1 525 66 47 PHE CD1 C 131.812 0.170 1 526 66 47 PHE CD2 C 131.812 0.170 1 527 66 47 PHE CE1 C 130.908 0.170 1 528 66 47 PHE CE2 C 130.908 0.170 1 529 66 47 PHE CZ C 128.385 0.170 1 530 66 47 PHE N N 133.151 0.390 1 531 67 48 HIS H H 8.072 0.070 1 532 67 48 HIS HA H 5.211 0.070 1 533 67 48 HIS HB2 H 2.784 0.070 2 534 67 48 HIS HB3 H 2.412 0.070 2 535 67 48 HIS HD2 H 7.431 0.070 1 536 67 48 HIS HE1 H 6.941 0.070 1 537 67 48 HIS HE2 H 11.137 0.070 1 538 67 48 HIS C C 174.740 0.160 1 539 67 48 HIS CA C 51.445 0.110 1 540 67 48 HIS CB C 35.498 0.170 1 541 67 48 HIS CG C 137.188 0.170 1 542 67 48 HIS CD2 C 119.271 0.170 1 543 67 48 HIS CE1 C 138.113 0.170 1 544 67 48 HIS N N 117.140 0.390 1 545 67 48 HIS NE2 N 168.287 0.390 1 546 68 49 ILE H H 9.320 0.070 1 547 68 49 ILE HA H 4.993 0.070 1 548 68 49 ILE HB H 1.583 0.070 1 549 68 49 ILE HG12 H 1.459 0.070 2 550 68 49 ILE HG13 H 0.907 0.070 2 551 68 49 ILE HG2 H 0.986 0.070 1 552 68 49 ILE HD1 H 0.783 0.070 1 553 68 49 ILE C C 177.295 0.160 1 554 68 49 ILE CA C 60.064 0.110 1 555 68 49 ILE CB C 37.913 0.170 1 556 68 49 ILE CG1 C 28.070 0.170 1 557 68 49 ILE CG2 C 19.607 0.170 1 558 68 49 ILE CD1 C 13.803 0.170 1 559 68 49 ILE N N 123.112 0.390 1 560 69 50 HIS H H 10.016 0.070 1 561 69 50 HIS HA H 5.031 0.070 1 562 69 50 HIS HB2 H 3.452 0.070 2 563 69 50 HIS HB3 H 2.825 0.070 2 564 69 50 HIS HD1 H 12.124 0.070 1 565 69 50 HIS HD2 H 7.049 0.070 1 566 69 50 HIS HE1 H 8.269 0.070 1 567 69 50 HIS C C 174.137 0.160 1 568 69 50 HIS CA C 56.265 0.110 1 569 69 50 HIS CB C 31.182 0.170 1 570 69 50 HIS CG C 132.000 0.170 1 571 69 50 HIS CD2 C 128.174 0.170 1 572 69 50 HIS CE1 C 136.550 0.170 1 573 69 50 HIS N N 129.795 0.390 1 574 69 50 HIS ND1 N 171.444 0.390 1 575 70 51 ALA H H 8.261 0.070 1 576 70 51 ALA HA H 3.793 0.070 1 577 70 51 ALA HB H 1.288 0.070 1 578 70 51 ALA C C 176.713 0.160 1 579 70 51 ALA CA C 55.322 0.110 1 580 70 51 ALA CB C 20.299 0.170 1 581 70 51 ALA N N 119.328 0.390 1 582 71 52 ASN H H 8.750 0.070 1 583 71 52 ASN HA H 5.184 0.070 1 584 71 52 ASN HB2 H 2.804 0.070 2 585 71 52 ASN HB3 H 2.677 0.070 2 586 71 52 ASN HD21 H 6.933 0.070 2 587 71 52 ASN HD22 H 6.798 0.070 2 588 71 52 ASN C C 175.794 0.160 1 589 71 52 ASN CA C 50.287 0.110 1 590 71 52 ASN CB C 40.407 0.170 1 591 71 52 ASN CG C 176.116 0.170 1 592 71 52 ASN N N 113.493 0.390 1 593 71 52 ASN ND2 N 112.607 0.390 1 594 72 53 GLY H H 8.788 0.070 1 595 72 53 GLY HA2 H 3.835 0.070 2 596 72 53 GLY HA3 H 3.076 0.070 2 597 72 53 GLY C C 173.945 0.160 1 598 72 53 GLY CA C 46.590 0.110 1 599 72 53 GLY N N 113.457 0.390 1 600 73 54 SER H H 7.511 0.070 1 601 73 54 SER HA H 4.228 0.070 1 602 73 54 SER HB2 H 3.630 0.070 2 603 73 54 SER HB3 H 2.792 0.070 2 604 73 54 SER C C 172.215 0.160 1 605 73 54 SER CA C 56.734 0.110 1 606 73 54 SER CB C 64.411 0.170 1 607 73 54 SER N N 116.015 0.390 1 608 74 55 CYS H H 8.658 0.070 1 609 74 55 CYS HA H 4.659 0.070 1 610 74 55 CYS HB2 H 3.120 0.070 2 611 74 55 CYS HB3 H 2.317 0.070 2 612 74 55 CYS C C 174.147 0.160 1 613 74 55 CYS CA C 52.292 0.110 1 614 74 55 CYS CB C 39.974 0.170 1 615 74 55 CYS N N 121.260 0.390 1 616 75 56 GLN H H 7.926 0.070 1 617 75 56 GLN HA H 3.975 0.070 1 618 75 56 GLN HB2 H 2.217 0.070 2 619 75 56 GLN HB3 H 1.508 0.070 2 620 75 56 GLN HG2 H 2.407 0.070 2 621 75 56 GLN HG3 H 2.344 0.070 2 622 75 56 GLN HE21 H 7.569 0.070 2 623 75 56 GLN HE22 H 6.837 0.070 2 624 75 56 GLN C C 172.090 0.160 1 625 75 56 GLN CA C 54.154 0.110 1 626 75 56 GLN CB C 26.859 0.170 1 627 75 56 GLN CG C 33.105 0.170 1 628 75 56 GLN CD C 179.670 0.170 1 629 75 56 GLN N N 119.479 0.390 1 630 75 56 GLN NE2 N 114.055 0.390 1 631 76 57 PRO HA H 4.935 0.070 1 632 76 57 PRO HB2 H 2.111 0.070 2 633 76 57 PRO HB3 H 1.628 0.070 2 634 76 57 PRO HG2 H 1.802 0.070 1 635 76 57 PRO HG3 H 1.802 0.070 1 636 76 57 PRO HD2 H 3.571 0.070 2 637 76 57 PRO HD3 H 3.501 0.070 2 638 76 57 PRO C C 176.050 0.160 1 639 76 57 PRO CA C 62.036 0.110 1 640 76 57 PRO CB C 32.934 0.170 1 641 76 57 PRO CG C 27.252 0.170 1 642 76 57 PRO CD C 50.325 0.170 1 643 76 57 PRO N N 133.556 0.390 1 644 77 58 ALA H H 7.811 0.070 1 645 77 58 ALA HA H 4.493 0.070 1 646 77 58 ALA HB H 1.114 0.070 1 647 77 58 ALA C C 175.198 0.160 1 648 77 58 ALA CA C 50.936 0.110 1 649 77 58 ALA CB C 22.055 0.170 1 650 77 58 ALA N N 118.233 0.390 1 651 78 59 ILE H H 8.390 0.070 1 652 78 59 ILE HA H 4.304 0.070 1 653 78 59 ILE HB H 1.709 0.070 1 654 78 59 ILE HG12 H 1.365 0.070 2 655 78 59 ILE HG13 H 1.079 0.070 2 656 78 59 ILE HG2 H 0.591 0.070 1 657 78 59 ILE HD1 H 0.604 0.070 1 658 78 59 ILE C C 176.272 0.160 1 659 78 59 ILE CA C 59.900 0.110 1 660 78 59 ILE CB C 36.488 0.170 1 661 78 59 ILE CG1 C 27.197 0.170 1 662 78 59 ILE CG2 C 16.964 0.170 1 663 78 59 ILE CD1 C 10.579 0.170 1 664 78 59 ILE N N 121.026 0.390 1 665 79 60 LYS H H 8.991 0.070 1 666 79 60 LYS HA H 4.460 0.070 1 667 79 60 LYS HB2 H 1.716 0.070 2 668 79 60 LYS HB3 H 1.458 0.070 2 669 79 60 LYS HG2 H 1.316 0.070 2 670 79 60 LYS HG3 H 1.173 0.070 2 671 79 60 LYS HD2 H 1.304 0.070 2 672 79 60 LYS HD3 H 1.168 0.070 2 673 79 60 LYS C C 175.653 0.160 1 674 79 60 LYS CA C 55.237 0.110 1 675 79 60 LYS CB C 35.162 0.170 1 676 79 60 LYS CG C 24.330 0.170 1 677 79 60 LYS CD C 28.929 0.170 1 678 79 60 LYS CE C 42.430 0.170 1 679 79 60 LYS N N 130.443 0.390 1 680 80 61 ASP H H 9.482 0.070 1 681 80 61 ASP HA H 4.207 0.070 1 682 80 61 ASP HB2 H 2.849 0.070 2 683 80 61 ASP HB3 H 2.603 0.070 2 684 80 61 ASP C C 176.438 0.160 1 685 80 61 ASP CA C 55.392 0.110 1 686 80 61 ASP CB C 39.368 0.170 1 687 80 61 ASP CG C 181.223 0.170 1 688 80 61 ASP N N 128.980 0.390 1 689 81 62 GLY H H 8.205 0.070 1 690 81 62 GLY HA2 H 4.097 0.070 2 691 81 62 GLY HA3 H 3.477 0.070 2 692 81 62 GLY C C 173.716 0.160 1 693 81 62 GLY CA C 45.371 0.110 1 694 81 62 GLY N N 102.789 0.390 1 695 82 63 GLN H H 7.589 0.070 1 696 82 63 GLN HA H 4.680 0.070 1 697 82 63 GLN HB2 H 2.026 0.070 2 698 82 63 GLN HB3 H 1.867 0.070 2 699 82 63 GLN HG2 H 2.252 0.070 1 700 82 63 GLN HG3 H 2.252 0.070 1 701 82 63 GLN HE21 H 7.543 0.070 2 702 82 63 GLN HE22 H 6.817 0.070 2 703 82 63 GLN C C 173.849 0.160 1 704 82 63 GLN CA C 53.299 0.110 1 705 82 63 GLN CB C 31.923 0.170 1 706 82 63 GLN CG C 32.886 0.170 1 707 82 63 GLN CD C 180.732 0.170 1 708 82 63 GLN N N 119.195 0.390 1 709 82 63 GLN NE2 N 113.290 0.390 1 710 83 64 ALA H H 8.632 0.070 1 711 83 64 ALA HA H 4.233 0.070 1 712 83 64 ALA HB H 1.290 0.070 1 713 83 64 ALA C C 177.329 0.160 1 714 83 64 ALA CA C 52.773 0.110 1 715 83 64 ALA CB C 18.755 0.170 1 716 83 64 ALA N N 126.637 0.390 1 717 84 65 VAL H H 8.582 0.070 1 718 84 65 VAL HA H 4.153 0.070 1 719 84 65 VAL HB H 1.828 0.070 1 720 84 65 VAL HG1 H 1.008 0.070 2 721 84 65 VAL HG2 H 0.983 0.070 2 722 84 65 VAL C C 176.063 0.160 1 723 84 65 VAL CA C 61.779 0.110 1 724 84 65 VAL CB C 34.245 0.170 1 725 84 65 VAL CG1 C 22.605 0.170 2 726 84 65 VAL CG2 C 22.151 0.170 2 727 84 65 VAL N N 123.748 0.390 1 728 85 66 ALA H H 8.794 0.070 1 729 85 66 ALA HA H 3.644 0.070 1 730 85 66 ALA HB H 0.999 0.070 1 731 85 66 ALA C C 177.011 0.160 1 732 85 66 ALA CA C 53.804 0.110 1 733 85 66 ALA CB C 18.463 0.170 1 734 85 66 ALA N N 130.282 0.390 1 735 86 67 ALA H H 8.963 0.070 1 736 86 67 ALA HA H 3.638 0.070 1 737 86 67 ALA HB H 1.060 0.070 1 738 86 67 ALA C C 178.345 0.160 1 739 86 67 ALA CA C 52.429 0.110 1 740 86 67 ALA CB C 17.944 0.170 1 741 86 67 ALA N N 121.952 0.390 1 742 87 68 GLU H H 7.374 0.070 1 743 87 68 GLU HA H 4.233 0.070 1 744 87 68 GLU HB2 H 1.912 0.070 2 745 87 68 GLU HB3 H 1.735 0.070 2 746 87 68 GLU HG2 H 2.184 0.070 2 747 87 68 GLU HG3 H 1.897 0.070 2 748 87 68 GLU C C 178.231 0.160 1 749 87 68 GLU CA C 56.944 0.110 1 750 87 68 GLU CB C 29.544 0.170 1 751 87 68 GLU CG C 34.225 0.170 1 752 87 68 GLU CD C 180.319 0.170 1 753 87 68 GLU N N 123.131 0.390 1 754 88 69 ALA H H 8.438 0.070 1 755 88 69 ALA HA H 3.974 0.070 1 756 88 69 ALA HB H 1.126 0.070 1 757 88 69 ALA C C 178.417 0.160 1 758 88 69 ALA CA C 53.756 0.110 1 759 88 69 ALA CB C 18.376 0.170 1 760 88 69 ALA N N 122.330 0.390 1 761 89 70 ALA H H 7.072 0.070 1 762 89 70 ALA HA H 4.268 0.070 1 763 89 70 ALA HB H 1.517 0.070 1 764 89 70 ALA C C 177.567 0.160 1 765 89 70 ALA CA C 53.967 0.110 1 766 89 70 ALA CB C 20.723 0.170 1 767 89 70 ALA N N 119.932 0.390 1 768 90 71 GLY H H 7.745 0.070 1 769 90 71 GLY HA2 H 4.038 0.070 2 770 90 71 GLY HA3 H 3.948 0.070 2 771 90 71 GLY C C 176.795 0.160 1 772 90 71 GLY CA C 44.762 0.110 1 773 90 71 GLY N N 102.275 0.390 1 774 91 72 GLY H H 8.897 0.070 1 775 91 72 GLY HA2 H 4.261 0.070 1 776 91 72 GLY HA3 H 4.261 0.070 1 777 91 72 GLY C C 172.841 0.160 1 778 91 72 GLY CA C 43.790 0.110 1 779 91 72 GLY N N 110.698 0.390 1 780 92 73 HIS H H 8.373 0.070 1 781 92 73 HIS HA H 3.700 0.070 1 782 92 73 HIS HB2 H 2.018 0.070 2 783 92 73 HIS HB3 H 1.259 0.070 2 784 92 73 HIS HD2 H 5.820 0.070 1 785 92 73 HIS HE1 H 5.973 0.070 1 786 92 73 HIS C C 174.969 0.160 1 787 92 73 HIS CA C 54.568 0.110 1 788 92 73 HIS CB C 29.939 0.170 1 789 92 73 HIS CG C 137.013 0.170 1 790 92 73 HIS CD2 C 116.716 0.170 1 791 92 73 HIS CE1 C 136.501 0.170 1 792 92 73 HIS N N 118.277 0.390 1 793 93 74 LEU H H 9.326 0.070 1 794 93 74 LEU HA H 3.743 0.070 1 795 93 74 LEU HB2 H 1.329 0.070 2 796 93 74 LEU HB3 H 1.054 0.070 2 797 93 74 LEU HG H 1.338 0.070 1 798 93 74 LEU HD1 H 0.738 0.070 2 799 93 74 LEU HD2 H 0.922 0.070 2 800 93 74 LEU C C 176.452 0.160 1 801 93 74 LEU CA C 56.887 0.110 1 802 93 74 LEU CB C 41.845 0.170 1 803 93 74 LEU CG C 27.325 0.170 1 804 93 74 LEU CD1 C 25.238 0.170 2 805 93 74 LEU CD2 C 22.795 0.170 2 806 93 74 LEU N N 124.861 0.390 1 807 94 75 ASP H H 9.560 0.070 1 808 94 75 ASP HA H 5.368 0.070 1 809 94 75 ASP HB2 H 2.855 0.070 2 810 94 75 ASP HB3 H 2.377 0.070 2 811 94 75 ASP C C 174.178 0.160 1 812 94 75 ASP CA C 52.327 0.110 1 813 94 75 ASP CB C 41.565 0.170 1 814 94 75 ASP CG C 182.679 0.170 1 815 94 75 ASP N N 126.920 0.390 1 816 95 76 PRO HA H 4.453 0.070 1 817 95 76 PRO HB2 H 2.374 0.070 2 818 95 76 PRO HB3 H 2.040 0.070 2 819 95 76 PRO HG2 H 2.059 0.070 2 820 95 76 PRO HG3 H 2.033 0.070 2 821 95 76 PRO HD2 H 3.903 0.070 2 822 95 76 PRO HD3 H 3.498 0.070 2 823 95 76 PRO C C 177.797 0.160 1 824 95 76 PRO CA C 64.786 0.110 1 825 95 76 PRO CB C 31.456 0.170 1 826 95 76 PRO CG C 27.219 0.170 1 827 95 76 PRO CD C 50.477 0.170 1 828 95 76 PRO N N 140.192 0.390 1 829 96 77 GLN H H 8.089 0.070 1 830 96 77 GLN HA H 4.360 0.070 1 831 96 77 GLN HB2 H 2.273 0.070 2 832 96 77 GLN HB3 H 1.856 0.070 2 833 96 77 GLN HG2 H 2.325 0.070 1 834 96 77 GLN HG3 H 2.325 0.070 1 835 96 77 GLN HE21 H 7.617 0.070 2 836 96 77 GLN HE22 H 7.435 0.070 2 837 96 77 GLN C C 175.594 0.160 1 838 96 77 GLN CA C 55.403 0.110 1 839 96 77 GLN CB C 28.203 0.170 1 840 96 77 GLN CG C 34.371 0.170 1 841 96 77 GLN CD C 180.337 0.170 1 842 96 77 GLN N N 114.712 0.390 1 843 96 77 GLN NE2 N 113.246 0.390 1 844 97 78 ASN H H 8.518 0.070 1 845 97 78 ASN HA H 4.219 0.070 1 846 97 78 ASN HB2 H 2.978 0.070 2 847 97 78 ASN HB3 H 2.612 0.070 2 848 97 78 ASN HD21 H 7.542 0.070 2 849 97 78 ASN HD22 H 6.741 0.070 2 850 97 78 ASN C C 175.243 0.160 1 851 97 78 ASN CA C 54.291 0.110 1 852 97 78 ASN CB C 36.597 0.170 1 853 97 78 ASN CG C 178.105 0.170 1 854 97 78 ASN N N 118.336 0.390 1 855 97 78 ASN ND2 N 113.826 0.390 1 856 98 79 THR H H 8.711 0.070 1 857 98 79 THR HA H 4.045 0.070 1 858 98 79 THR HB H 3.997 0.070 1 859 98 79 THR HG2 H 1.252 0.070 1 860 98 79 THR C C 178.056 0.160 1 861 98 79 THR CA C 64.318 0.110 1 862 98 79 THR CB C 69.957 0.170 1 863 98 79 THR CG2 C 22.312 0.170 1 864 98 79 THR N N 112.229 0.390 1 865 99 80 GLY H H 9.874 0.070 1 866 99 80 GLY HA2 H 3.946 0.070 1 867 99 80 GLY HA3 H 3.946 0.070 1 868 99 80 GLY C C 174.332 0.160 1 869 99 80 GLY CA C 46.125 0.110 1 870 99 80 GLY N N 111.733 0.390 1 871 100 81 LYS H H 7.093 0.070 1 872 100 81 LYS HA H 4.467 0.070 1 873 100 81 LYS HB2 H 1.523 0.070 2 874 100 81 LYS HB3 H 1.226 0.070 2 875 100 81 LYS HG2 H 1.204 0.070 2 876 100 81 LYS HG3 H 1.174 0.070 2 877 100 81 LYS HD2 H 1.548 0.070 2 878 100 81 LYS HD3 H 1.459 0.070 2 879 100 81 LYS HE2 H 2.756 0.070 1 880 100 81 LYS HE3 H 2.756 0.070 1 881 100 81 LYS C C 172.263 0.160 1 882 100 81 LYS CA C 54.322 0.110 1 883 100 81 LYS CB C 36.161 0.170 1 884 100 81 LYS CG C 23.884 0.170 1 885 100 81 LYS CD C 28.956 0.170 1 886 100 81 LYS CE C 41.957 0.170 1 887 100 81 LYS N N 117.088 0.390 1 888 101 82 HIS H H 9.347 0.070 1 889 101 82 HIS HA H 4.207 0.070 1 890 101 82 HIS HB2 H 3.303 0.070 2 891 101 82 HIS HB3 H 2.302 0.070 2 892 101 82 HIS HD2 H 6.724 0.070 1 893 101 82 HIS HE1 H 7.590 0.070 1 894 101 82 HIS HE2 H 16.191 0.070 1 895 101 82 HIS C C 172.769 0.160 1 896 101 82 HIS CA C 55.322 0.110 1 897 101 82 HIS CB C 31.700 0.170 1 898 101 82 HIS CG C 135.240 0.170 1 899 101 82 HIS CD2 C 119.467 0.170 1 900 101 82 HIS CE1 C 139.768 0.170 1 901 101 82 HIS N N 125.833 0.390 1 902 101 82 HIS NE2 N 182.423 0.390 1 903 102 83 GLU H H 6.443 0.070 1 904 102 83 GLU HA H 4.749 0.070 1 905 102 83 GLU HB2 H 1.511 0.070 1 906 102 83 GLU HB3 H 1.511 0.070 1 907 102 83 GLU HG2 H 2.187 0.070 2 908 102 83 GLU HG3 H 1.679 0.070 2 909 102 83 GLU C C 177.044 0.160 1 910 102 83 GLU CA C 54.262 0.110 1 911 102 83 GLU CB C 33.396 0.170 1 912 102 83 GLU CG C 35.979 0.170 1 913 102 83 GLU CD C 182.406 0.170 1 914 102 83 GLU N N 122.261 0.390 1 915 103 84 GLY H H 7.534 0.070 1 916 103 84 GLY HA2 H 4.622 0.070 2 917 103 84 GLY HA3 H 3.963 0.070 2 918 103 84 GLY C C 174.340 0.160 1 919 103 84 GLY CA C 47.788 0.110 1 920 103 84 GLY N N 106.082 0.390 1 921 104 85 PRO HA H 4.420 0.070 1 922 104 85 PRO HB2 H 2.349 0.070 2 923 104 85 PRO HB3 H 2.194 0.070 2 924 104 85 PRO HG2 H 2.054 0.070 1 925 104 85 PRO HG3 H 2.054 0.070 1 926 104 85 PRO HD2 H 2.938 0.070 1 927 104 85 PRO HD3 H 2.938 0.070 1 928 104 85 PRO C C 177.599 0.160 1 929 104 85 PRO CA C 64.310 0.110 1 930 104 85 PRO CB C 32.448 0.170 1 931 104 85 PRO CG C 27.574 0.170 1 932 104 85 PRO CD C 50.546 0.170 1 933 104 85 PRO N N 134.053 0.390 1 934 105 86 GLU H H 8.775 0.070 1 935 105 86 GLU HA H 4.643 0.070 1 936 105 86 GLU HB2 H 2.337 0.070 2 937 105 86 GLU HB3 H 1.758 0.070 2 938 105 86 GLU HG2 H 2.133 0.070 1 939 105 86 GLU HG3 H 2.133 0.070 1 940 105 86 GLU C C 176.352 0.160 1 941 105 86 GLU CA C 55.153 0.110 1 942 105 86 GLU CB C 29.708 0.170 1 943 105 86 GLU CG C 36.529 0.170 1 944 105 86 GLU CD C 182.857 0.170 1 945 105 86 GLU N N 119.191 0.390 1 946 106 87 GLY H H 6.867 0.070 1 947 106 87 GLY HA2 H 4.460 0.070 2 948 106 87 GLY HA3 H 3.442 0.070 2 949 106 87 GLY C C 172.194 0.160 1 950 106 87 GLY CA C 43.603 0.110 1 951 106 87 GLY N N 108.174 0.390 1 952 107 88 GLN H H 8.548 0.070 1 953 107 88 GLN HA H 4.571 0.070 1 954 107 88 GLN HB2 H 2.295 0.070 2 955 107 88 GLN HB3 H 1.670 0.070 2 956 107 88 GLN HG2 H 2.261 0.070 2 957 107 88 GLN HG3 H 2.179 0.070 2 958 107 88 GLN HE21 H 7.540 0.070 2 959 107 88 GLN HE22 H 6.717 0.070 2 960 107 88 GLN C C 176.338 0.160 1 961 107 88 GLN CA C 53.889 0.110 1 962 107 88 GLN CB C 28.688 0.170 1 963 107 88 GLN CG C 33.476 0.170 1 964 107 88 GLN CD C 181.173 0.170 1 965 107 88 GLN N N 117.764 0.390 1 966 107 88 GLN NE2 N 113.552 0.390 1 967 108 89 GLY H H 7.057 0.070 1 968 108 89 GLY HA2 H 4.396 0.070 2 969 108 89 GLY HA3 H 3.303 0.070 2 970 108 89 GLY C C 175.948 0.160 1 971 108 89 GLY CA C 44.176 0.110 1 972 108 89 GLY N N 110.861 0.390 1 973 109 90 HIS H H 8.352 0.070 1 974 109 90 HIS HA H 4.358 0.070 1 975 109 90 HIS HB2 H 3.462 0.070 2 976 109 90 HIS HB3 H 3.046 0.070 2 977 109 90 HIS HD2 H 6.822 0.070 1 978 109 90 HIS HE1 H 7.850 0.070 1 979 109 90 HIS HE2 H 10.561 0.070 1 980 109 90 HIS C C 176.962 0.160 1 981 109 90 HIS CA C 55.892 0.110 1 982 109 90 HIS CB C 30.495 0.170 1 983 109 90 HIS CG C 136.636 0.170 1 984 109 90 HIS CD2 C 117.124 0.170 1 985 109 90 HIS CE1 C 138.466 0.170 1 986 109 90 HIS N N 122.352 0.390 1 987 109 90 HIS NE2 N 164.409 0.390 1 988 110 91 LEU H H 7.653 0.070 1 989 110 91 LEU HA H 4.097 0.070 1 990 110 91 LEU HB2 H 1.621 0.070 2 991 110 91 LEU HB3 H 1.354 0.070 2 992 110 91 LEU HG H 1.626 0.070 1 993 110 91 LEU HD1 H 0.856 0.070 2 994 110 91 LEU HD2 H 0.844 0.070 2 995 110 91 LEU C C 177.205 0.160 1 996 110 91 LEU CA C 56.868 0.110 1 997 110 91 LEU CB C 43.671 0.170 1 998 110 91 LEU CG C 26.511 0.170 1 999 110 91 LEU CD1 C 25.454 0.170 2 1000 110 91 LEU CD2 C 23.069 0.170 2 1001 110 91 LEU N N 129.811 0.390 1 1002 111 92 GLY H H 8.482 0.070 1 1003 111 92 GLY HA2 H 3.999 0.070 2 1004 111 92 GLY HA3 H 3.885 0.070 2 1005 111 92 GLY C C 172.240 0.160 1 1006 111 92 GLY CA C 45.640 0.110 1 1007 111 92 GLY N N 99.954 0.390 1 1008 112 93 ASP H H 6.761 0.070 1 1009 112 93 ASP HA H 4.505 0.070 1 1010 112 93 ASP HB2 H 3.241 0.070 2 1011 112 93 ASP HB3 H 2.195 0.070 2 1012 112 93 ASP C C 173.919 0.160 1 1013 112 93 ASP CA C 56.061 0.110 1 1014 112 93 ASP CB C 39.307 0.170 1 1015 112 93 ASP CG C 180.486 0.170 1 1016 112 93 ASP N N 121.441 0.390 1 1017 113 94 LEU H H 7.193 0.070 1 1018 113 94 LEU HA H 4.874 0.070 1 1019 113 94 LEU HB2 H 1.865 0.070 2 1020 113 94 LEU HB3 H 0.731 0.070 2 1021 113 94 LEU HG H 1.365 0.070 1 1022 113 94 LEU HD1 H 0.156 0.070 2 1023 113 94 LEU HD2 H -1.116 0.070 2 1024 113 94 LEU C C 174.865 0.160 1 1025 113 94 LEU CA C 52.497 0.110 1 1026 113 94 LEU CB C 38.660 0.170 1 1027 113 94 LEU CG C 26.060 0.170 1 1028 113 94 LEU CD1 C 23.595 0.170 2 1029 113 94 LEU CD2 C 23.236 0.170 2 1030 113 94 LEU N N 125.528 0.390 1 1031 114 95 PRO HA H 4.421 0.070 1 1032 114 95 PRO HB2 H 2.582 0.070 2 1033 114 95 PRO HB3 H 1.692 0.070 2 1034 114 95 PRO HG2 H 2.406 0.070 2 1035 114 95 PRO HG3 H 2.081 0.070 2 1036 114 95 PRO HD2 H 3.468 0.070 2 1037 114 95 PRO HD3 H 3.166 0.070 2 1038 114 95 PRO C C 172.648 0.160 1 1039 114 95 PRO CA C 62.579 0.110 1 1040 114 95 PRO CB C 31.204 0.170 1 1041 114 95 PRO CG C 29.410 0.170 1 1042 114 95 PRO CD C 50.338 0.170 1 1043 114 95 PRO N N 134.011 0.390 1 1044 115 96 VAL H H 7.250 0.070 1 1045 115 96 VAL HA H 4.256 0.070 1 1046 115 96 VAL HB H 1.799 0.070 1 1047 115 96 VAL HG1 H 0.993 0.070 2 1048 115 96 VAL HG2 H 0.793 0.070 2 1049 115 96 VAL C C 175.756 0.160 1 1050 115 96 VAL CA C 61.592 0.110 1 1051 115 96 VAL CB C 32.692 0.170 1 1052 115 96 VAL CG1 C 22.590 0.170 2 1053 115 96 VAL CG2 C 19.555 0.170 2 1054 115 96 VAL N N 110.851 0.390 1 1055 116 97 LEU H H 8.155 0.070 1 1056 116 97 LEU HA H 4.256 0.070 1 1057 116 97 LEU HB2 H 1.270 0.070 2 1058 116 97 LEU HB3 H 0.461 0.070 2 1059 116 97 LEU HG H 0.870 0.070 1 1060 116 97 LEU HD1 H 0.080 0.070 2 1061 116 97 LEU HD2 H 0.091 0.070 2 1062 116 97 LEU C C 176.588 0.160 1 1063 116 97 LEU CA C 53.142 0.110 1 1064 116 97 LEU CB C 43.221 0.170 1 1065 116 97 LEU CG C 26.212 0.170 1 1066 116 97 LEU CD1 C 26.199 0.170 2 1067 116 97 LEU CD2 C 23.260 0.170 2 1068 116 97 LEU N N 122.670 0.390 1 1069 117 98 VAL H H 8.300 0.070 1 1070 117 98 VAL HA H 4.055 0.070 1 1071 117 98 VAL HB H 1.869 0.070 1 1072 117 98 VAL HG1 H 0.855 0.070 2 1073 117 98 VAL HG2 H 0.734 0.070 2 1074 117 98 VAL C C 175.164 0.160 1 1075 117 98 VAL CA C 62.973 0.110 1 1076 117 98 VAL CB C 32.121 0.170 1 1077 117 98 VAL CG1 C 21.884 0.170 2 1078 117 98 VAL CG2 C 21.034 0.170 2 1079 117 98 VAL N N 128.316 0.390 1 1080 118 99 VAL H H 8.647 0.070 1 1081 118 99 VAL HA H 4.090 0.070 1 1082 118 99 VAL HB H 2.317 0.070 1 1083 118 99 VAL HG1 H 0.585 0.070 2 1084 118 99 VAL HG2 H 0.696 0.070 2 1085 118 99 VAL C C 177.049 0.160 1 1086 118 99 VAL CA C 60.712 0.110 1 1087 118 99 VAL CB C 32.295 0.170 1 1088 118 99 VAL CG1 C 23.315 0.170 2 1089 118 99 VAL CG2 C 21.523 0.170 2 1090 118 99 VAL N N 130.289 0.390 1 1091 119 100 ASN H H 8.604 0.070 1 1092 119 100 ASN HA H 4.598 0.070 1 1093 119 100 ASN HB2 H 3.548 0.070 2 1094 119 100 ASN HB3 H 2.999 0.070 2 1095 119 100 ASN HD21 H 7.681 0.070 2 1096 119 100 ASN HD22 H 6.840 0.070 2 1097 119 100 ASN C C 176.265 0.160 1 1098 119 100 ASN CA C 52.267 0.110 1 1099 119 100 ASN CB C 38.227 0.170 1 1100 119 100 ASN CG C 176.983 0.170 1 1101 119 100 ASN N N 128.974 0.390 1 1102 119 100 ASN ND2 N 112.646 0.390 1 1103 120 101 ASN H H 8.474 0.070 1 1104 120 101 ASN HA H 4.364 0.070 1 1105 120 101 ASN HB2 H 2.792 0.070 2 1106 120 101 ASN HB3 H 2.743 0.070 2 1107 120 101 ASN HD21 H 7.615 0.070 2 1108 120 101 ASN HD22 H 6.925 0.070 2 1109 120 101 ASN C C 175.938 0.160 1 1110 120 101 ASN CA C 55.699 0.110 1 1111 120 101 ASN CB C 37.864 0.170 1 1112 120 101 ASN CG C 176.810 0.170 1 1113 120 101 ASN N N 115.417 0.390 1 1114 120 101 ASN ND2 N 113.629 0.390 1 1115 121 102 ASP H H 7.932 0.070 1 1116 121 102 ASP HA H 4.722 0.070 1 1117 121 102 ASP HB2 H 2.832 0.070 2 1118 121 102 ASP HB3 H 2.674 0.070 2 1119 121 102 ASP C C 176.499 0.160 1 1120 121 102 ASP CA C 54.054 0.110 1 1121 121 102 ASP CB C 41.176 0.170 1 1122 121 102 ASP CG C 180.410 0.170 1 1123 121 102 ASP N N 118.985 0.390 1 1124 122 103 GLY H H 8.324 0.070 1 1125 122 103 GLY HA2 H 4.048 0.070 2 1126 122 103 GLY HA3 H 3.871 0.070 2 1127 122 103 GLY C C 172.649 0.160 1 1128 122 103 GLY CA C 46.322 0.110 1 1129 122 103 GLY N N 110.444 0.390 1 1130 123 104 ILE H H 7.150 0.070 1 1131 123 104 ILE HA H 4.644 0.070 1 1132 123 104 ILE HB H 1.78 0.070 1 1133 123 104 ILE HG12 H 1.382 0.070 2 1134 123 104 ILE HG13 H 1.075 0.070 2 1135 123 104 ILE HG2 H 0.844 0.070 1 1136 123 104 ILE HD1 H 0.794 0.070 1 1137 123 104 ILE C C 175.633 0.160 1 1138 123 104 ILE CA C 58.758 0.110 1 1139 123 104 ILE CB C 39.822 0.170 1 1140 123 104 ILE CG1 C 27.460 0.170 1 1141 123 104 ILE CG2 C 17.898 0.170 1 1142 123 104 ILE CD1 C 12.497 0.170 1 1143 123 104 ILE N N 117.697 0.390 1 1144 124 105 ALA H H 8.149 0.070 1 1145 124 105 ALA HA H 5.061 0.070 1 1146 124 105 ALA HB H 1.125 0.070 1 1147 124 105 ALA C C 176.102 0.160 1 1148 124 105 ALA CA C 50.460 0.110 1 1149 124 105 ALA CB C 21.494 0.170 1 1150 124 105 ALA N N 130.795 0.390 1 1151 125 106 THR H H 8.459 0.070 1 1152 125 106 THR HA H 4.826 0.070 1 1153 125 106 THR HB H 4.311 0.070 1 1154 125 106 THR HG2 H 1.078 0.070 1 1155 125 106 THR C C 175.104 0.160 1 1156 125 106 THR CA C 61.048 0.110 1 1157 125 106 THR CB C 71.025 0.170 1 1158 125 106 THR CG2 C 21.955 0.170 1 1159 125 106 THR N N 112.935 0.390 1 1160 126 107 GLU H H 8.724 0.070 1 1161 126 107 GLU HA H 4.702 0.070 1 1162 126 107 GLU HB2 H 2.076 0.070 2 1163 126 107 GLU HB3 H 2.019 0.070 2 1164 126 107 GLU HG2 H 2.351 0.070 2 1165 126 107 GLU HG3 H 2.305 0.070 2 1166 126 107 GLU C C 173.910 0.160 1 1167 126 107 GLU CA C 53.950 0.110 1 1168 126 107 GLU CB C 29.756 0.170 1 1169 126 107 GLU CG C 35.506 0.170 1 1170 126 107 GLU CD C 184.067 0.170 1 1171 126 107 GLU N N 127.021 0.390 1 1172 127 108 PRO HA H 5.258 0.070 1 1173 127 108 PRO HB2 H 2.389 0.070 2 1174 127 108 PRO HB3 H 1.729 0.070 2 1175 127 108 PRO HG2 H 2.050 0.070 2 1176 127 108 PRO HG3 H 2.014 0.070 2 1177 127 108 PRO HD2 H 4.116 0.070 2 1178 127 108 PRO HD3 H 3.760 0.070 2 1179 127 108 PRO C C 177.347 0.160 1 1180 127 108 PRO CA C 61.866 0.110 1 1181 127 108 PRO CB C 33.167 0.170 1 1182 127 108 PRO CG C 27.119 0.170 1 1183 127 108 PRO CD C 50.967 0.170 1 1184 127 108 PRO N N 135.555 0.390 1 1185 128 109 VAL H H 8.541 0.070 1 1186 128 109 VAL HA H 4.921 0.070 1 1187 128 109 VAL HB H 2.026 0.070 1 1188 128 109 VAL HG1 H 1.031 0.070 2 1189 128 109 VAL HG2 H 1.037 0.070 2 1190 128 109 VAL C C 174.528 0.160 1 1191 128 109 VAL CA C 58.752 0.110 1 1192 128 109 VAL CB C 35.104 0.170 1 1193 128 109 VAL CG1 C 21.846 0.170 2 1194 128 109 VAL CG2 C 18.817 0.170 2 1195 128 109 VAL N N 112.053 0.390 1 1196 129 110 THR H H 8.691 0.070 1 1197 129 110 THR HA H 5.388 0.070 1 1198 129 110 THR HB H 3.779 0.070 1 1199 129 110 THR HG2 H 0.787 0.070 1 1200 129 110 THR C C 172.332 0.160 1 1201 129 110 THR CA C 61.663 0.110 1 1202 129 110 THR CB C 71.083 0.170 1 1203 129 110 THR CG2 C 21.319 0.170 1 1204 129 110 THR N N 119.243 0.390 1 1205 130 111 ALA H H 9.159 0.070 1 1206 130 111 ALA HA H 5.185 0.070 1 1207 130 111 ALA HB H 1.559 0.070 1 1208 130 111 ALA C C 174.608 0.160 1 1209 130 111 ALA CA C 47.896 0.110 1 1210 130 111 ALA CB C 21.440 0.170 1 1211 130 111 ALA N N 131.173 0.390 1 1212 131 112 PRO HA H 4.864 0.070 1 1213 131 112 PRO HB2 H 2.324 0.070 2 1214 131 112 PRO HB3 H 1.925 0.070 2 1215 131 112 PRO HG2 H 1.980 0.070 1 1216 131 112 PRO HG3 H 1.980 0.070 1 1217 131 112 PRO HD2 H 3.825 0.070 2 1218 131 112 PRO HD3 H 3.800 0.070 2 1219 131 112 PRO C C 178.499 0.160 1 1220 131 112 PRO CA C 63.733 0.110 1 1221 131 112 PRO CB C 32.645 0.170 1 1222 131 112 PRO CG C 27.094 0.170 1 1223 131 112 PRO CD C 51.196 0.170 1 1224 131 112 PRO N N 132.897 0.390 1 1225 132 113 ARG H H 9.141 0.070 1 1226 132 113 ARG HA H 4.107 0.070 1 1227 132 113 ARG HB2 H 2.012 0.070 2 1228 132 113 ARG HB3 H 1.636 0.070 2 1229 132 113 ARG HG2 H 1.865 0.070 2 1230 132 113 ARG HG3 H 1.604 0.070 2 1231 132 113 ARG HD2 H 3.254 0.070 2 1232 132 113 ARG HD3 H 3.150 0.070 2 1233 132 113 ARG HE H 6.721 0.070 1 1234 132 113 ARG HH11 H 6.429 0.070 2 1235 132 113 ARG HH12 H 6.058 0.070 2 1236 132 113 ARG HH21 H 6.429 0.070 2 1237 132 113 ARG HH22 H 6.058 0.070 2 1238 132 113 ARG C C 177.204 0.160 1 1239 132 113 ARG CA C 57.419 0.110 1 1240 132 113 ARG CB C 31.542 0.170 1 1241 132 113 ARG CG C 27.231 0.170 1 1242 132 113 ARG CD C 44.578 0.170 1 1243 132 113 ARG N N 114.826 0.390 1 1244 132 113 ARG NE N 85.981 0.390 1 1245 132 113 ARG NH1 N 71.896 0.390 1 1246 132 113 ARG NH2 N 71.896 0.390 1 1247 133 114 LEU H H 7.557 0.070 1 1248 133 114 LEU HA H 4.355 0.070 1 1249 133 114 LEU HB2 H 1.892 0.070 2 1250 133 114 LEU HB3 H 1.173 0.070 2 1251 133 114 LEU HG H 1.452 0.070 1 1252 133 114 LEU HD1 H 0.843 0.070 2 1253 133 114 LEU HD2 H 0.686 0.070 2 1254 133 114 LEU C C 174.658 0.160 1 1255 133 114 LEU CA C 53.753 0.110 1 1256 133 114 LEU CB C 44.264 0.170 1 1257 133 114 LEU CG C 26.764 0.170 1 1258 133 114 LEU CD1 C 26.408 0.170 2 1259 133 114 LEU CD2 C 24.395 0.170 2 1260 133 114 LEU N N 121.211 0.390 1 1261 134 115 LYS H H 9.090 0.070 1 1262 134 115 LYS HA H 4.545 0.070 1 1263 134 115 LYS HB2 H 1.799 0.070 2 1264 134 115 LYS HB3 H 1.721 0.070 2 1265 134 115 LYS HG2 H 1.374 0.070 2 1266 134 115 LYS HG3 H 1.354 0.070 2 1267 134 115 LYS HD2 H 1.530 0.070 1 1268 134 115 LYS HD3 H 1.530 0.070 1 1269 134 115 LYS HE2 H 2.918 0.070 1 1270 134 115 LYS HE3 H 2.918 0.070 1 1271 134 115 LYS C C 177.752 0.160 1 1272 134 115 LYS CA C 55.247 0.110 1 1273 134 115 LYS CB C 34.495 0.170 1 1274 134 115 LYS CG C 24.303 0.170 1 1275 134 115 LYS CD C 28.064 0.170 1 1276 134 115 LYS CE C 42.227 0.170 1 1277 134 115 LYS N N 119.500 0.390 1 1278 135 116 SER H H 8.450 0.070 1 1279 135 116 SER HA H 5.005 0.070 1 1280 135 116 SER HB2 H 3.887 0.070 2 1281 135 116 SER HB3 H 3.618 0.070 2 1282 135 116 SER C C 175.383 0.160 1 1283 135 116 SER CA C 55.719 0.110 1 1284 135 116 SER CB C 65.791 0.170 1 1285 135 116 SER N N 114.924 0.390 1 1286 136 117 LEU H H 10.150 0.070 1 1287 136 117 LEU HA H 3.853 0.070 1 1288 136 117 LEU HB2 H 1.572 0.070 2 1289 136 117 LEU HB3 H 1.330 0.070 2 1290 136 117 LEU HG H 1.423 0.070 1 1291 136 117 LEU HD1 H 0.603 0.070 2 1292 136 117 LEU HD2 H 0.580 0.070 2 1293 136 117 LEU C C 179.278 0.160 1 1294 136 117 LEU CA C 57.136 0.110 1 1295 136 117 LEU CB C 41.244 0.170 1 1296 136 117 LEU CG C 27.530 0.170 1 1297 136 117 LEU CD1 C 24.990 0.170 2 1298 136 117 LEU CD2 C 22.802 0.170 2 1299 136 117 LEU N N 128.550 0.390 1 1300 137 118 ASP H H 8.289 0.070 1 1301 137 118 ASP HA H 4.155 0.070 1 1302 137 118 ASP HB2 H 2.527 0.070 1 1303 137 118 ASP HB3 H 2.527 0.070 1 1304 137 118 ASP C C 178.295 0.160 1 1305 137 118 ASP CA C 57.084 0.110 1 1306 137 118 ASP CB C 40.253 0.170 1 1307 137 118 ASP CG C 179.542 0.170 1 1308 137 118 ASP N N 118.301 0.390 1 1309 138 119 GLU H H 7.584 0.070 1 1310 138 119 GLU HA H 4.062 0.070 1 1311 138 119 GLU HB2 H 2.317 0.070 2 1312 138 119 GLU HB3 H 1.963 0.070 2 1313 138 119 GLU HG2 H 2.289 0.070 1 1314 138 119 GLU HG3 H 2.289 0.070 1 1315 138 119 GLU C C 177.482 0.160 1 1316 138 119 GLU CA C 58.347 0.110 1 1317 138 119 GLU CB C 31.471 0.170 1 1318 138 119 GLU CG C 37.906 0.170 1 1319 138 119 GLU CD C 182.858 0.170 1 1320 138 119 GLU N N 116.419 0.390 1 1321 139 120 VAL H H 7.206 0.070 1 1322 139 120 VAL HA H 4.368 0.070 1 1323 139 120 VAL HB H 2.507 0.070 1 1324 139 120 VAL HG1 H 0.683 0.070 2 1325 139 120 VAL HG2 H 0.791 0.070 2 1326 139 120 VAL C C 172.340 0.160 1 1327 139 120 VAL CA C 59.117 0.110 1 1328 139 120 VAL CB C 31.058 0.170 1 1329 139 120 VAL CG1 C 23.557 0.170 2 1330 139 120 VAL CG2 C 19.343 0.170 2 1331 139 120 VAL N N 107.073 0.390 1 1332 140 121 LYS H H 6.493 0.070 1 1333 140 121 LYS HA H 3.645 0.070 1 1334 140 121 LYS HB2 H 1.635 0.070 1 1335 140 121 LYS HB3 H 1.635 0.070 1 1336 140 121 LYS HG2 H 1.533 0.070 2 1337 140 121 LYS HG3 H 1.347 0.070 2 1338 140 121 LYS HD2 H 1.632 0.070 1 1339 140 121 LYS HD3 H 1.632 0.070 1 1340 140 121 LYS HE2 H 2.919 0.070 1 1341 140 121 LYS HE3 H 2.919 0.070 1 1342 140 121 LYS C C 177.602 0.160 1 1343 140 121 LYS CA C 57.650 0.110 1 1344 140 121 LYS CB C 32.896 0.170 1 1345 140 121 LYS CG C 24.227 0.170 1 1346 140 121 LYS CD C 29.188 0.170 1 1347 140 121 LYS CE C 41.736 0.170 1 1348 140 121 LYS N N 120.080 0.390 1 1349 141 122 ASP H H 8.959 0.070 1 1350 141 122 ASP HA H 4.306 0.070 1 1351 141 122 ASP HB2 H 2.992 0.070 2 1352 141 122 ASP HB3 H 2.513 0.070 2 1353 141 122 ASP C C 174.060 0.160 1 1354 141 122 ASP CA C 55.361 0.110 1 1355 141 122 ASP CB C 39.082 0.170 1 1356 141 122 ASP CG C 181.821 0.170 1 1357 141 122 ASP N N 124.851 0.390 1 1358 142 123 LYS H H 7.122 0.070 1 1359 142 123 LYS HA H 4.231 0.070 1 1360 142 123 LYS HB2 H 2.260 0.070 2 1361 142 123 LYS HB3 H 1.681 0.070 2 1362 142 123 LYS HG2 H 1.124 0.070 2 1363 142 123 LYS HG3 H 0.979 0.070 2 1364 142 123 LYS HD2 H 1.522 0.070 1 1365 142 123 LYS HD3 H 1.522 0.070 1 1366 142 123 LYS HE2 H 3.017 0.070 2 1367 142 123 LYS HE3 H 2.703 0.070 2 1368 142 123 LYS C C 175.201 0.160 1 1369 142 123 LYS CA C 52.650 0.110 1 1370 142 123 LYS CB C 33.815 0.170 1 1371 142 123 LYS CG C 24.332 0.170 1 1372 142 123 LYS CD C 26.871 0.170 1 1373 142 123 LYS CE C 42.846 0.170 1 1374 142 123 LYS N N 114.212 0.390 1 1375 143 124 ALA H H 6.756 0.070 1 1376 143 124 ALA HA H 5.096 0.070 1 1377 143 124 ALA HB H 1.379 0.070 1 1378 143 124 ALA C C 175.279 0.160 1 1379 143 124 ALA CA C 51.066 0.110 1 1380 143 124 ALA CB C 21.112 0.170 1 1381 143 124 ALA N N 123.111 0.390 1 1382 144 125 LEU H H 9.555 0.070 1 1383 144 125 LEU HA H 4.648 0.070 1 1384 144 125 LEU HB2 H 1.918 0.070 2 1385 144 125 LEU HB3 H 1.096 0.070 2 1386 144 125 LEU HG H 1.313 0.070 1 1387 144 125 LEU HD1 H 0.935 0.070 2 1388 144 125 LEU HD2 H 0.246 0.070 2 1389 144 125 LEU C C 173.458 0.160 1 1390 144 125 LEU CA C 53.947 0.110 1 1391 144 125 LEU CB C 43.968 0.170 1 1392 144 125 LEU CG C 27.063 0.170 1 1393 144 125 LEU CD1 C 25.911 0.170 2 1394 144 125 LEU CD2 C 24.114 0.170 2 1395 144 125 LEU N N 126.976 0.390 1 1396 145 126 MET H H 9.207 0.070 1 1397 145 126 MET HA H 5.138 0.070 1 1398 145 126 MET HB2 H 2.721 0.070 2 1399 145 126 MET HB3 H 1.394 0.070 2 1400 145 126 MET HG2 H 1.788 0.070 2 1401 145 126 MET HG3 H 1.582 0.070 2 1402 145 126 MET HE H 1.289 0.070 1 1403 145 126 MET C C 174.682 0.160 1 1404 145 126 MET CA C 52.837 0.110 1 1405 145 126 MET CB C 39.355 0.170 1 1406 145 126 MET CG C 32.906 0.170 1 1407 145 126 MET CE C 17.019 0.170 1 1408 145 126 MET N N 130.155 0.390 1 1409 146 127 ILE H H 8.416 0.070 1 1410 146 127 ILE HA H 5.155 0.070 1 1411 146 127 ILE HB H 1.328 0.070 1 1412 146 127 ILE HG12 H 1.521 0.070 2 1413 146 127 ILE HG13 H 0.818 0.070 2 1414 146 127 ILE HG2 H 0.646 0.070 1 1415 146 127 ILE HD1 H 0.425 0.070 1 1416 146 127 ILE C C 177.042 0.160 1 1417 146 127 ILE CA C 59.796 0.110 1 1418 146 127 ILE CB C 40.913 0.170 1 1419 146 127 ILE CG1 C 27.689 0.170 1 1420 146 127 ILE CG2 C 16.852 0.170 1 1421 146 127 ILE CD1 C 15.410 0.170 1 1422 146 127 ILE N N 123.074 0.390 1 1423 147 128 HIS H H 9.294 0.070 1 1424 147 128 HIS HA H 4.857 0.070 1 1425 147 128 HIS HB2 H 3.847 0.070 2 1426 147 128 HIS HB3 H 2.764 0.070 2 1427 147 128 HIS HE1 H 7.455 0.070 1 1428 147 128 HIS C C 175.082 0.160 1 1429 147 128 HIS CA C 56.265 0.110 1 1430 147 128 HIS CB C 30.348 0.170 1 1431 147 128 HIS CG C 128.644 0.170 1 1432 147 128 HIS CD2 C 128.312 0.170 1 1433 147 128 HIS CE1 C 139.309 0.170 1 1434 147 128 HIS N N 128.844 0.390 1 1435 148 129 VAL H H 9.179 0.070 1 1436 148 129 VAL HA H 3.644 0.070 1 1437 148 129 VAL HB H 2.146 0.070 1 1438 148 129 VAL HG1 H 1.112 0.070 2 1439 148 129 VAL HG2 H 1.048 0.070 2 1440 148 129 VAL C C 177.570 0.160 1 1441 148 129 VAL CA C 66.279 0.110 1 1442 148 129 VAL CB C 32.812 0.170 1 1443 148 129 VAL CG1 C 23.280 0.170 2 1444 148 129 VAL CG2 C 20.907 0.170 2 1445 148 129 VAL N N 121.035 0.390 1 1446 149 130 GLY H H 8.632 0.070 1 1447 149 130 GLY HA2 H 4.362 0.070 2 1448 149 130 GLY HA3 H 3.856 0.070 2 1449 149 130 GLY C C 173.365 0.160 1 1450 149 130 GLY CA C 43.311 0.110 1 1451 149 130 GLY N N 109.751 0.390 1 1452 150 131 GLY H H 7.865 0.070 1 1453 150 131 GLY HA2 H 3.811 0.070 2 1454 150 131 GLY HA3 H 3.481 0.070 2 1455 150 131 GLY C C 171.762 0.160 1 1456 150 131 GLY CA C 44.096 0.110 1 1457 150 131 GLY N N 106.110 0.390 1 1458 151 132 ASP H H 8.034 0.070 1 1459 151 132 ASP HA H 4.921 0.070 1 1460 151 132 ASP HB2 H 3.065 0.070 2 1461 151 132 ASP HB3 H 2.448 0.070 2 1462 151 132 ASP C C 174.998 0.160 1 1463 151 132 ASP CA C 53.397 0.110 1 1464 151 132 ASP CB C 43.795 0.170 1 1465 151 132 ASP CG C 183.656 0.170 1 1466 151 132 ASP N N 117.004 0.390 1 1467 152 133 ASN H H 8.462 0.070 1 1468 152 133 ASN HA H 4.845 0.070 1 1469 152 133 ASN HB2 H 3.216 0.070 2 1470 152 133 ASN HB3 H 2.622 0.070 2 1471 152 133 ASN HD21 H 7.500 0.070 2 1472 152 133 ASN HD22 H 6.818 0.070 2 1473 152 133 ASN C C 176.518 0.160 1 1474 152 133 ASN CA C 51.457 0.110 1 1475 152 133 ASN CB C 37.473 0.170 1 1476 152 133 ASN CG C 178.673 0.170 1 1477 152 133 ASN N N 126.469 0.390 1 1478 152 133 ASN ND2 N 113.375 0.390 1 1479 153 134 MET H H 9.446 0.070 1 1480 153 134 MET HA H 3.458 0.070 1 1481 153 134 MET HB2 H 2.409 0.070 2 1482 153 134 MET HB3 H 1.614 0.070 2 1483 153 134 MET HG2 H 2.719 0.070 2 1484 153 134 MET HG3 H 2.110 0.070 2 1485 153 134 MET HE H 2.216 0.070 1 1486 153 134 MET C C 173.438 0.160 1 1487 153 134 MET CA C 55.186 0.110 1 1488 153 134 MET CB C 27.375 0.170 1 1489 153 134 MET CG C 32.168 0.170 1 1490 153 134 MET CE C 18.479 0.170 1 1491 153 134 MET N N 112.943 0.390 1 1492 154 135 SER H H 7.387 0.070 1 1493 154 135 SER HA H 5.050 0.070 1 1494 154 135 SER HB2 H 3.733 0.070 2 1495 154 135 SER HB3 H 3.623 0.070 2 1496 154 135 SER C C 173.608 0.160 1 1497 154 135 SER CA C 55.673 0.110 1 1498 154 135 SER CB C 63.935 0.170 1 1499 154 135 SER N N 109.296 0.390 1 1500 155 136 ASP H H 7.814 0.070 1 1501 155 136 ASP HA H 5.272 0.070 1 1502 155 136 ASP HB2 H 2.970 0.070 2 1503 155 136 ASP HB3 H 2.420 0.070 2 1504 155 136 ASP C C 174.044 0.160 1 1505 155 136 ASP CA C 55.450 0.110 1 1506 155 136 ASP CB C 42.543 0.170 1 1507 155 136 ASP CG C 181.824 0.170 1 1508 155 136 ASP N N 121.246 0.390 1 1509 156 137 GLN H H 8.371 0.070 1 1510 156 137 GLN HA H 4.394 0.070 1 1511 156 137 GLN HB2 H 1.901 0.070 2 1512 156 137 GLN HB3 H 1.704 0.070 2 1513 156 137 GLN HG2 H 2.230 0.070 2 1514 156 137 GLN HG3 H 2.185 0.070 2 1515 156 137 GLN HE21 H 7.367 0.070 2 1516 156 137 GLN HE22 H 6.704 0.070 2 1517 156 137 GLN C C 174.782 0.160 1 1518 156 137 GLN CA C 52.599 0.110 1 1519 156 137 GLN CB C 30.062 0.170 1 1520 156 137 GLN CG C 32.624 0.170 1 1521 156 137 GLN CD C 180.440 0.170 1 1522 156 137 GLN N N 117.683 0.390 1 1523 156 137 GLN NE2 N 112.422 0.390 1 1524 157 138 PRO HA H 4.602 0.070 1 1525 157 138 PRO HB2 H 2.382 0.070 2 1526 157 138 PRO HB3 H 2.121 0.070 2 1527 157 138 PRO HG2 H 1.990 0.070 2 1528 157 138 PRO HG3 H 1.670 0.070 2 1529 157 138 PRO HD2 H 3.507 0.070 2 1530 157 138 PRO HD3 H 3.400 0.070 2 1531 157 138 PRO C C 176.105 0.160 1 1532 157 138 PRO CA C 63.814 0.110 1 1533 157 138 PRO CB C 33.677 0.170 1 1534 157 138 PRO CG C 24.669 0.170 1 1535 157 138 PRO CD C 49.547 0.170 1 1536 157 138 PRO N N 133.900 0.390 1 1537 158 139 LYS H H 7.444 0.070 1 1538 158 139 LYS HA H 4.890 0.070 1 1539 158 139 LYS HB2 H 1.628 0.070 2 1540 158 139 LYS HB3 H 1.291 0.070 2 1541 158 139 LYS HG2 H 1.305 0.070 1 1542 158 139 LYS HG3 H 1.305 0.070 1 1543 158 139 LYS HD2 H 1.627 0.070 1 1544 158 139 LYS HD3 H 1.627 0.070 1 1545 158 139 LYS HE2 H 3.339 0.070 1 1546 158 139 LYS HE3 H 3.339 0.070 1 1547 158 139 LYS C C 172.995 0.160 1 1548 158 139 LYS CA C 52.060 0.110 1 1549 158 139 LYS CB C 34.376 0.170 1 1550 158 139 LYS CG C 24.973 0.170 1 1551 158 139 LYS CD C 29.026 0.170 1 1552 158 139 LYS CE C 41.947 0.170 1 1553 158 139 LYS N N 121.205 0.390 1 1554 159 140 PRO HA H 4.402 0.070 1 1555 159 140 PRO HB2 H 2.346 0.070 2 1556 159 140 PRO HB3 H 1.681 0.070 2 1557 159 140 PRO HG2 H 2.052 0.070 2 1558 159 140 PRO HG3 H 2.021 0.070 2 1559 159 140 PRO HD2 H 3.856 0.070 2 1560 159 140 PRO HD3 H 3.517 0.070 2 1561 159 140 PRO C C 178.145 0.160 1 1562 159 140 PRO CA C 63.088 0.110 1 1563 159 140 PRO CB C 32.412 0.170 1 1564 159 140 PRO CG C 27.270 0.170 1 1565 159 140 PRO CD C 50.556 0.170 1 1566 159 140 PRO N N 134.944 0.390 1 1567 160 141 LEU H H 10.223 0.070 1 1568 160 141 LEU HA H 2.771 0.070 1 1569 160 141 LEU HB2 H 1.763 0.070 2 1570 160 141 LEU HB3 H 0.727 0.070 2 1571 160 141 LEU HG H 1.222 0.070 1 1572 160 141 LEU HD1 H 0.563 0.070 2 1573 160 141 LEU HD2 H 0.187 0.070 2 1574 160 141 LEU C C 177.141 0.160 1 1575 160 141 LEU CA C 54.704 0.110 1 1576 160 141 LEU CB C 37.797 0.170 1 1577 160 141 LEU CG C 25.637 0.170 1 1578 160 141 LEU CD1 C 25.068 0.170 2 1579 160 141 LEU CD2 C 23.182 0.170 2 1580 160 141 LEU N N 118.447 0.390 1 1581 161 142 GLY H H 8.163 0.070 1 1582 161 142 GLY HA2 H 4.755 0.070 2 1583 161 142 GLY HA3 H 4.595 0.070 2 1584 161 142 GLY C C 175.186 0.160 1 1585 161 142 GLY CA C 45.572 0.110 1 1586 161 142 GLY N N 109.428 0.390 1 1587 162 143 GLY H H 7.604 0.070 1 1588 162 143 GLY HA2 H 3.884 0.070 2 1589 162 143 GLY HA3 H 3.509 0.070 2 1590 162 143 GLY C C 175.032 0.160 1 1591 162 143 GLY CA C 45.824 0.110 1 1592 162 143 GLY N N 105.209 0.390 1 1593 163 144 GLY H H 7.063 0.070 1 1594 163 144 GLY HA2 H 3.984 0.070 2 1595 163 144 GLY HA3 H 3.466 0.070 2 1596 163 144 GLY C C 175.470 0.160 1 1597 163 144 GLY CA C 47.188 0.110 1 1598 163 144 GLY N N 108.672 0.390 1 1599 164 145 GLY H H 8.427 0.070 1 1600 164 145 GLY HA2 H 4.039 0.070 2 1601 164 145 GLY HA3 H 3.679 0.070 2 1602 164 145 GLY C C 177.132 0.160 1 1603 164 145 GLY CA C 45.674 0.110 1 1604 164 145 GLY N N 107.398 0.390 1 1605 165 146 THR H H 8.887 0.070 1 1606 165 146 THR HA H 3.929 0.070 1 1607 165 146 THR HB H 4.097 0.070 1 1608 165 146 THR HG2 H 1.305 0.070 1 1609 165 146 THR C C 172.923 0.160 1 1610 165 146 THR CA C 64.287 0.110 1 1611 165 146 THR CB C 69.806 0.170 1 1612 165 146 THR CG2 C 22.257 0.170 1 1613 165 146 THR N N 123.941 0.390 1 1614 166 147 ARG H H 8.854 0.070 1 1615 166 147 ARG HA H 3.406 0.070 1 1616 166 147 ARG HB2 H 1.637 0.070 2 1617 166 147 ARG HB3 H 1.463 0.070 2 1618 166 147 ARG HG2 H 0.939 0.070 1 1619 166 147 ARG HG3 H 0.939 0.070 1 1620 166 147 ARG HD2 H 3.233 0.070 1 1621 166 147 ARG HD3 H 3.233 0.070 1 1622 166 147 ARG HE H 7.295 0.070 1 1623 166 147 ARG HH11 H 9.114 0.070 2 1624 166 147 ARG HH12 H 6.766 0.070 2 1625 166 147 ARG C C 172.400 0.160 1 1626 166 147 ARG CA C 57.691 0.110 1 1627 166 147 ARG CB C 28.732 0.170 1 1628 166 147 ARG CG C 29.740 0.170 1 1629 166 147 ARG CD C 42.779 0.170 1 1630 166 147 ARG N N 128.623 0.390 1 1631 166 147 ARG NE N 89.093 0.390 1 1632 166 147 ARG NH1 N 75.691 0.390 2 1633 167 148 TYR H H 9.076 0.070 1 1634 167 148 TYR HA H 4.318 0.070 1 1635 167 148 TYR HB2 H 2.752 0.070 2 1636 167 148 TYR HB3 H 2.338 0.070 2 1637 167 148 TYR HD1 H 6.708 0.070 1 1638 167 148 TYR HD2 H 6.708 0.070 1 1639 167 148 TYR HE1 H 6.728 0.070 1 1640 167 148 TYR HE2 H 6.728 0.070 1 1641 167 148 TYR C C 175.124 0.160 1 1642 167 148 TYR CA C 59.479 0.110 1 1643 167 148 TYR CB C 42.153 0.170 1 1644 167 148 TYR CG C 128.834 0.170 1 1645 167 148 TYR CD1 C 132.222 0.170 1 1646 167 148 TYR CD2 C 132.222 0.170 1 1647 167 148 TYR CE1 C 117.720 0.170 1 1648 167 148 TYR CE2 C 117.720 0.170 1 1649 167 148 TYR CZ C 157.725 0.170 1 1650 167 148 TYR N N 126.380 0.390 1 1651 168 149 ALA H H 8.138 0.070 1 1652 168 149 ALA HA H 5.120 0.070 1 1653 168 149 ALA HB H 1.060 0.070 1 1654 168 149 ALA C C 174.612 0.160 1 1655 168 149 ALA CA C 50.800 0.110 1 1656 168 149 ALA CB C 23.186 0.170 1 1657 168 149 ALA N N 118.245 0.390 1 1658 169 150 CYS H H 9.198 0.070 1 1659 169 150 CYS HA H 5.793 0.070 1 1660 169 150 CYS HB2 H 3.147 0.070 2 1661 169 150 CYS HB3 H 2.492 0.070 2 1662 169 150 CYS C C 172.645 0.160 1 1663 169 150 CYS CA C 55.315 0.110 1 1664 169 150 CYS CB C 44.671 0.170 1 1665 169 150 CYS N N 121.442 0.390 1 1666 170 151 GLY H H 9.091 0.070 1 1667 170 151 GLY HA2 H 4.644 0.070 2 1668 170 151 GLY HA3 H 4.365 0.070 2 1669 170 151 GLY C C 171.371 0.160 1 1670 170 151 GLY CA C 46.736 0.110 1 1671 170 151 GLY N N 122.577 0.390 1 1672 171 152 VAL H H 8.812 0.070 1 1673 171 152 VAL HA H 4.205 0.070 1 1674 171 152 VAL HB H 1.854 0.070 1 1675 171 152 VAL HG1 H 0.703 0.070 2 1676 171 152 VAL HG2 H 0.615 0.070 2 1677 171 152 VAL C C 174.857 0.160 1 1678 171 152 VAL CA C 62.870 0.110 1 1679 171 152 VAL CB C 32.786 0.170 1 1680 171 152 VAL CG1 C 21.979 0.170 2 1681 171 152 VAL CG2 C 21.316 0.170 2 1682 171 152 VAL N N 123.376 0.390 1 1683 172 153 ILE H H 8.859 0.070 1 1684 172 153 ILE HA H 3.778 0.070 1 1685 172 153 ILE HB H 2.284 0.070 1 1686 172 153 ILE HG12 H 1.800 0.070 2 1687 172 153 ILE HG13 H 0.789 0.070 2 1688 172 153 ILE HG2 H 0.695 0.070 1 1689 172 153 ILE HD1 H 0.845 0.070 1 1690 172 153 ILE C C 175.318 0.160 1 1691 172 153 ILE CA C 61.968 0.110 1 1692 172 153 ILE CB C 37.578 0.170 1 1693 172 153 ILE CG1 C 27.441 0.170 1 1694 172 153 ILE CG2 C 18.295 0.170 1 1695 172 153 ILE CD1 C 14.111 0.170 1 1696 172 153 ILE N N 131.096 0.390 1 1697 173 154 LYS H H 8.214 0.070 1 1698 173 154 LYS HA H 4.266 0.070 1 1699 173 154 LYS HB2 H 1.858 0.070 2 1700 173 154 LYS HB3 H 1.726 0.070 2 1701 173 154 LYS HG2 H 1.468 0.070 2 1702 173 154 LYS HG3 H 1.433 0.070 2 1703 173 154 LYS HD2 H 1.672 0.070 1 1704 173 154 LYS HD3 H 1.672 0.070 1 1705 173 154 LYS HE2 H 2.997 0.070 2 1706 173 154 LYS HE3 H 2.919 0.070 2 1707 173 154 LYS C C 181.692 0.160 1 1708 173 154 LYS CA C 57.114 0.110 1 1709 173 154 LYS CB C 33.109 0.170 1 1710 173 154 LYS CG C 24.660 0.170 1 1711 173 154 LYS CD C 28.512 0.170 1 1712 173 154 LYS CE C 41.999 0.170 1 1713 173 154 LYS N N 133.238 0.390 1 stop_ save_