data_16958 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for ZCCHC9 ; _BMRB_accession_number 16958 _BMRB_flat_file_name bmr16958.str _Entry_type original _Submission_date 2010-05-26 _Accession_date 2010-05-26 _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 Stefl Richard . . 2 Sanudo Maria . . 3 Jacko Martin . . 4 Vanacova Stepanka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 683 "13C chemical shifts" 415 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2010-08-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N chemical shift assignments of ZCCHC9.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20711761 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanudo Maria . . 2 Jacko Martin . . 3 Rammelt Christiane . . 4 Vanacova Stepanka . . 5 Stefl Richard . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19 _Page_last 21 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ZCCHC9 in complex with Zn' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ZCCHC9 $ZCCHC9 'Zn ion' $ZN 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_ZCCHC9 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ZCCHC9 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSNA MVCFHCRKPGHGIADCPAAL ENQDMGTGICYRCGSTEHEI TKCKAKVDPALGEFPFAKCF VCGEMGHLSRSCPDNPKGLY ADGGGCKLCGSVEHLKKDCP ESQN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 TYR 4 LYS 5 LEU 6 ILE 7 LEU 8 ASN 9 GLY 10 LYS 11 THR 12 LEU 13 LYS 14 GLY 15 GLU 16 THR 17 THR 18 THR 19 GLU 20 ALA 21 VAL 22 ASP 23 ALA 24 ALA 25 THR 26 ALA 27 GLU 28 LYS 29 VAL 30 PHE 31 LYS 32 GLN 33 TYR 34 ALA 35 ASN 36 ASP 37 ASN 38 GLY 39 VAL 40 ASP 41 GLY 42 GLU 43 TRP 44 THR 45 TYR 46 ASP 47 ASP 48 ALA 49 THR 50 LYS 51 THR 52 PHE 53 THR 54 VAL 55 THR 56 GLU 57 GLY 58 SER 59 ASN 60 ALA 61 MET 62 VAL 63 CYS 64 PHE 65 HIS 66 CYS 67 ARG 68 LYS 69 PRO 70 GLY 71 HIS 72 GLY 73 ILE 74 ALA 75 ASP 76 CYS 77 PRO 78 ALA 79 ALA 80 LEU 81 GLU 82 ASN 83 GLN 84 ASP 85 MET 86 GLY 87 THR 88 GLY 89 ILE 90 CYS 91 TYR 92 ARG 93 CYS 94 GLY 95 SER 96 THR 97 GLU 98 HIS 99 GLU 100 ILE 101 THR 102 LYS 103 CYS 104 LYS 105 ALA 106 LYS 107 VAL 108 ASP 109 PRO 110 ALA 111 LEU 112 GLY 113 GLU 114 PHE 115 PRO 116 PHE 117 ALA 118 LYS 119 CYS 120 PHE 121 VAL 122 CYS 123 GLY 124 GLU 125 MET 126 GLY 127 HIS 128 LEU 129 SER 130 ARG 131 SER 132 CYS 133 PRO 134 ASP 135 ASN 136 PRO 137 LYS 138 GLY 139 LEU 140 TYR 141 ALA 142 ASP 143 GLY 144 GLY 145 GLY 146 CYS 147 LYS 148 LEU 149 CYS 150 GLY 151 SER 152 VAL 153 GLU 154 HIS 155 LEU 156 LYS 157 LYS 158 ASP 159 CYS 160 PRO 161 GLU 162 SER 163 GLN 164 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAG36844 "unnamed protein product [Homo sapiens]" 64.63 271 100.00 100.00 1.91e-73 EMBL CAC21654 "hypothetical protein [Homo sapiens]" 64.63 271 100.00 100.00 1.91e-73 EMBL CAH92203 "hypothetical protein [Pongo abelii]" 64.63 271 100.00 100.00 1.59e-73 GB AAH32736 "ZCCHC9 protein [Homo sapiens]" 64.63 271 100.00 100.00 1.44e-73 GB AIC57311 "ZCCHC9, partial [synthetic construct]" 64.63 271 100.00 100.00 1.12e-73 GB AIC60924 "ZCCHC9, partial [synthetic construct]" 64.63 274 100.00 100.00 1.56e-73 GB EAW95870 "zinc finger, CCHC domain containing 9, isoform CRA_a [Homo sapiens]" 64.63 271 100.00 100.00 1.91e-73 GB EAW95871 "zinc finger, CCHC domain containing 9, isoform CRA_a [Homo sapiens]" 64.63 271 100.00 100.00 1.91e-73 REF NP_001124507 "zinc finger CCHC domain-containing protein 9 [Homo sapiens]" 64.63 271 100.00 100.00 1.91e-73 REF NP_001124508 "zinc finger CCHC domain-containing protein 9 [Homo sapiens]" 64.63 271 100.00 100.00 1.91e-73 REF NP_001127522 "zinc finger CCHC domain-containing protein 9 [Pongo abelii]" 64.63 271 100.00 100.00 1.59e-73 REF NP_001182668 "zinc finger, CCHC domain containing 9 [Macaca mulatta]" 64.63 270 100.00 100.00 2.27e-73 REF NP_115656 "zinc finger CCHC domain-containing protein 9 [Homo sapiens]" 64.63 271 100.00 100.00 1.91e-73 SP Q8N567 "RecName: Full=Zinc finger CCHC domain-containing protein 9" 64.63 271 100.00 100.00 1.91e-73 stop_ save_ ############# # Ligands # ############# 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 no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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 $ZCCHC9 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ZCCHC9 'recombinant technology' . Escherichia coli . pET22 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 $ZCCHC9 2 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Tris buffer' 20 mM 'natural abundance' NaCl 200 mM 'natural abundance' ZnSO4 100 %u03BCm 'natural abundance' 2-mercaptoethanol 14 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 0.3 . M pH 8 . pH pressure 1 . atm temperature 293 . 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 DSS P 31 'methyl protons' ppm 0.00 . indirect . . . 0.404808636 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 HNCA' '3D HNCACB' '3D HNHA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ZCCHC9 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLN H H 8.205 0.020 1 2 2 2 GLN CA C 55.561 0.400 1 3 2 2 GLN CB C 30.074 0.400 1 4 2 2 GLN N N 123.411 0.400 1 5 3 3 TYR H H 9.019 0.020 1 6 3 3 TYR HA H 5.280 0.020 1 7 3 3 TYR HB2 H 2.647 0.020 2 8 3 3 TYR HB3 H 3.318 0.020 2 9 3 3 TYR HD1 H 7.046 0.020 1 10 3 3 TYR HD2 H 7.046 0.020 1 11 3 3 TYR CA C 56.852 0.400 1 12 3 3 TYR CB C 43.357 0.400 1 13 3 3 TYR CD1 C 133.291 0.400 1 14 3 3 TYR N N 124.801 0.400 1 15 4 4 LYS H H 9.013 0.020 1 16 4 4 LYS HA H 5.111 0.020 1 17 4 4 LYS HB2 H 1.798 0.020 2 18 4 4 LYS HB3 H 1.936 0.020 2 19 4 4 LYS HD2 H 1.528 0.020 2 20 4 4 LYS HD3 H 1.528 0.020 2 21 4 4 LYS HE2 H 2.777 0.020 2 22 4 4 LYS HE3 H 2.777 0.020 2 23 4 4 LYS HG2 H 1.231 0.020 2 24 4 4 LYS HG3 H 1.231 0.020 2 25 4 4 LYS CA C 54.647 0.400 1 26 4 4 LYS CB C 35.722 0.400 1 27 4 4 LYS CD C 28.982 0.400 1 28 4 4 LYS CE C 41.884 0.400 1 29 4 4 LYS CG C 24.758 0.400 1 30 4 4 LYS N N 122.458 0.400 1 31 5 5 LEU H H 8.508 0.020 1 32 5 5 LEU HA H 4.850 0.020 1 33 5 5 LEU HB2 H 0.649 0.020 2 34 5 5 LEU HB3 H -1.242 0.020 2 35 5 5 LEU HD1 H 0.435 0.020 2 36 5 5 LEU HD2 H 0.471 0.020 2 37 5 5 LEU HG H 0.659 0.020 1 38 5 5 LEU CA C 52.258 0.400 1 39 5 5 LEU CB C 42.494 0.400 1 40 5 5 LEU CD1 C 24.360 0.400 1 41 5 5 LEU CD2 C 25.608 0.400 1 42 5 5 LEU CG C 25.992 0.400 1 43 5 5 LEU N N 126.558 0.400 1 44 6 6 ILE H H 8.991 0.020 1 45 6 6 ILE HA H 4.224 0.020 1 46 6 6 ILE HD1 H 0.667 0.020 1 47 6 6 ILE HG12 H 1.311 0.020 2 48 6 6 ILE HG13 H 0.986 0.020 2 49 6 6 ILE HG2 H 0.691 0.020 1 50 6 6 ILE CA C 59.948 0.400 1 51 6 6 ILE CB C 37.756 0.400 1 52 6 6 ILE CD1 C 12.663 0.400 1 53 6 6 ILE CG1 C 27.292 0.400 1 54 6 6 ILE CG2 C 17.000 0.400 1 55 6 6 ILE N N 126.363 0.400 1 56 7 7 LEU H H 8.617 0.020 1 57 7 7 LEU HA H 4.401 0.020 1 58 7 7 LEU HB2 H 1.255 0.020 2 59 7 7 LEU HB3 H 1.344 0.020 2 60 7 7 LEU HD1 H 0.663 0.020 2 61 7 7 LEU HD2 H 0.478 0.020 2 62 7 7 LEU HG H 1.175 0.020 1 63 7 7 LEU CA C 54.030 0.400 1 64 7 7 LEU CB C 41.949 0.400 1 65 7 7 LEU CD1 C 26.024 0.400 1 66 7 7 LEU CD2 C 22.584 0.400 1 67 7 7 LEU CG C 27.240 0.400 1 68 7 7 LEU N N 125.623 0.400 1 69 8 8 ASN H H 8.751 0.020 1 70 8 8 ASN HA H 5.131 0.020 1 71 8 8 ASN HB2 H 2.861 0.020 2 72 8 8 ASN HB3 H 2.426 0.020 2 73 8 8 ASN CA C 50.812 0.400 1 74 8 8 ASN CB C 37.936 0.400 1 75 8 8 ASN N N 125.591 0.400 1 76 9 9 GLY H H 7.861 0.020 1 77 9 9 GLY HA2 H 4.349 0.020 2 78 9 9 GLY HA3 H 4.349 0.020 2 79 9 9 GLY CA C 44.378 0.400 1 80 9 9 GLY N N 110.119 0.400 1 81 10 10 LYS H H 9.184 0.020 1 82 10 10 LYS HA H 3.961 0.020 1 83 10 10 LYS HB2 H 1.728 0.020 2 84 10 10 LYS HB3 H 1.728 0.020 2 85 10 10 LYS HD2 H 1.591 0.020 2 86 10 10 LYS HD3 H 1.591 0.020 2 87 10 10 LYS HE2 H 2.888 0.020 2 88 10 10 LYS HE3 H 2.888 0.020 2 89 10 10 LYS HG2 H 1.340 0.020 2 90 10 10 LYS HG3 H 1.340 0.020 2 91 10 10 LYS CA C 58.703 0.400 1 92 10 10 LYS CB C 32.294 0.400 1 93 10 10 LYS CD C 29.128 0.400 1 94 10 10 LYS CE C 42.228 0.400 1 95 10 10 LYS CG C 25.096 0.400 1 96 10 10 LYS N N 121.418 0.400 1 97 11 11 THR H H 8.754 0.020 1 98 11 11 THR HA H 4.268 0.020 1 99 11 11 THR HB H 4.138 0.020 1 100 11 11 THR HG2 H 1.050 0.020 1 101 11 11 THR CA C 61.658 0.400 1 102 11 11 THR CB C 69.316 0.400 1 103 11 11 THR CG2 C 21.592 0.400 1 104 11 11 THR N N 108.991 0.400 1 105 12 12 LEU H H 7.252 0.020 1 106 12 12 LEU HA H 4.339 0.020 1 107 12 12 LEU HB2 H 1.322 0.020 2 108 12 12 LEU HB3 H 1.447 0.020 2 109 12 12 LEU HD1 H 0.650 0.020 2 110 12 12 LEU HD2 H 0.698 0.020 2 111 12 12 LEU HG H 1.309 0.020 1 112 12 12 LEU CA C 54.850 0.400 1 113 12 12 LEU CB C 43.203 0.400 1 114 12 12 LEU CD1 C 25.688 0.400 1 115 12 12 LEU CD2 C 25.496 0.400 1 116 12 12 LEU CG C 27.288 0.400 1 117 12 12 LEU N N 125.281 0.400 1 118 13 13 LYS H H 8.066 0.020 1 119 13 13 LYS HA H 5.021 0.020 1 120 13 13 LYS HB2 H 1.797 0.020 2 121 13 13 LYS HB3 H 1.797 0.020 2 122 13 13 LYS HD2 H 1.575 0.020 2 123 13 13 LYS HD3 H 1.575 0.020 2 124 13 13 LYS HE2 H 2.914 0.020 2 125 13 13 LYS HE3 H 2.914 0.020 2 126 13 13 LYS HG2 H 1.354 0.020 2 127 13 13 LYS HG3 H 1.354 0.020 2 128 13 13 LYS CA C 53.506 0.400 1 129 13 13 LYS CB C 34.291 0.400 1 130 13 13 LYS CD C 28.920 0.400 1 131 13 13 LYS CE C 42.113 0.400 1 132 13 13 LYS CG C 25.112 0.400 1 133 13 13 LYS N N 124.142 0.400 1 134 14 14 GLY H H 8.330 0.020 1 135 14 14 GLY HA2 H 4.040 0.020 2 136 14 14 GLY HA3 H 4.200 0.020 2 137 14 14 GLY CA C 44.895 0.400 1 138 14 14 GLY N N 109.665 0.400 1 139 15 15 GLU H H 8.329 0.020 1 140 15 15 GLU HA H 5.501 0.020 1 141 15 15 GLU HB2 H 1.821 0.020 2 142 15 15 GLU HB3 H 1.911 0.020 2 143 15 15 GLU HG2 H 2.035 0.020 2 144 15 15 GLU HG3 H 2.035 0.020 2 145 15 15 GLU CA C 54.311 0.400 1 146 15 15 GLU CB C 33.411 0.400 1 147 15 15 GLU CG C 35.896 0.400 1 148 15 15 GLU N N 118.761 0.400 1 149 16 16 THR H H 8.664 0.020 1 150 16 16 THR HA H 4.625 0.020 1 151 16 16 THR HB H 3.789 0.020 1 152 16 16 THR HG2 H 0.291 0.020 1 153 16 16 THR CA C 60.222 0.400 1 154 16 16 THR CB C 69.260 0.400 1 155 16 16 THR CG2 C 18.712 0.400 1 156 16 16 THR N N 116.025 0.400 1 157 17 17 THR H H 7.972 0.020 1 158 17 17 THR HA H 5.710 0.020 1 159 17 17 THR HB H 4.216 0.020 1 160 17 17 THR HG2 H 1.067 0.020 1 161 17 17 THR CA C 59.549 0.400 1 162 17 17 THR CB C 73.011 0.400 1 163 17 17 THR CG2 C 21.297 0.400 1 164 17 17 THR N N 111.944 0.400 1 165 18 18 THR H H 8.889 0.020 1 166 18 18 THR HA H 4.559 0.020 1 167 18 18 THR HB H 3.736 0.020 1 168 18 18 THR HG2 H 0.376 0.020 1 169 18 18 THR CA C 62.039 0.400 1 170 18 18 THR CB C 69.751 0.400 1 171 18 18 THR CG2 C 19.121 0.400 1 172 18 18 THR N N 114.854 0.400 1 173 19 19 GLU H H 7.862 0.020 1 174 19 19 GLU HA H 5.074 0.020 1 175 19 19 GLU HB2 H 1.842 0.020 2 176 19 19 GLU HB3 H 1.842 0.020 2 177 19 19 GLU HG2 H 1.955 0.020 2 178 19 19 GLU HG3 H 2.194 0.020 2 179 19 19 GLU CA C 54.055 0.400 1 180 19 19 GLU CB C 29.861 0.400 1 181 19 19 GLU CG C 35.602 0.400 1 182 19 19 GLU N N 126.092 0.400 1 183 20 20 ALA H H 9.261 0.020 1 184 20 20 ALA HA H 4.841 0.020 1 185 20 20 ALA HB H 1.233 0.020 1 186 20 20 ALA CA C 50.476 0.400 1 187 20 20 ALA CB C 23.451 0.400 1 188 20 20 ALA N N 127.583 0.400 1 189 21 21 VAL H H 8.400 0.020 1 190 21 21 VAL HA H 4.002 0.020 1 191 21 21 VAL HB H 2.099 0.020 1 192 21 21 VAL HG1 H 0.897 0.020 2 193 21 21 VAL HG2 H 0.804 0.020 2 194 21 21 VAL CA C 63.127 0.400 1 195 21 21 VAL CB C 31.685 0.400 1 196 21 21 VAL CG1 C 20.049 0.400 1 197 21 21 VAL CG2 C 21.585 0.400 1 198 21 21 VAL N N 115.822 0.400 1 199 22 22 ASP H H 7.229 0.020 1 200 22 22 ASP HA H 4.655 0.020 1 201 22 22 ASP HB2 H 2.849 0.020 2 202 22 22 ASP HB3 H 2.884 0.020 2 203 22 22 ASP CA C 50.393 0.400 1 204 22 22 ASP CB C 42.037 0.400 1 205 22 22 ASP N N 115.319 0.400 1 206 23 23 ALA H H 8.210 0.020 1 207 23 23 ALA HA H 4.023 0.020 1 208 23 23 ALA HB H 1.190 0.020 1 209 23 23 ALA CA C 54.321 0.400 1 210 23 23 ALA CB C 17.527 0.400 1 211 23 23 ALA N N 121.579 0.400 1 212 24 24 ALA H H 7.979 0.020 1 213 24 24 ALA HA H 4.056 0.020 1 214 24 24 ALA HB H 1.191 0.020 1 215 24 24 ALA CA C 54.706 0.400 1 216 24 24 ALA CB C 17.856 0.400 1 217 24 24 ALA N N 120.763 0.400 1 218 25 25 THR H H 8.189 0.020 1 219 25 25 THR HA H 3.601 0.020 1 220 25 25 THR HB H 3.921 0.020 1 221 25 25 THR HG2 H 1.124 0.020 1 222 25 25 THR CA C 66.561 0.400 1 223 25 25 THR CB C 69.990 0.400 1 224 25 25 THR CG2 C 21.169 0.400 1 225 25 25 THR N N 116.730 0.400 1 226 26 26 ALA H H 7.060 0.020 1 227 26 26 ALA HA H 2.975 0.020 1 228 26 26 ALA HB H 0.414 0.020 1 229 26 26 ALA CA C 54.505 0.400 1 230 26 26 ALA CB C 17.241 0.400 1 231 26 26 ALA N N 123.808 0.400 1 232 27 27 GLU H H 8.251 0.020 1 233 27 27 GLU HA H 2.514 0.020 1 234 27 27 GLU HB2 H 1.841 0.020 2 235 27 27 GLU HB3 H 1.841 0.020 2 236 27 27 GLU HG2 H 1.503 0.020 2 237 27 27 GLU HG3 H 1.503 0.020 2 238 27 27 GLU CA C 59.323 0.400 1 239 27 27 GLU CB C 29.031 0.400 1 240 27 27 GLU CG C 35.798 0.400 1 241 27 27 GLU N N 116.870 0.400 1 242 28 28 LYS H H 6.838 0.020 1 243 28 28 LYS HA H 3.622 0.020 1 244 28 28 LYS HB2 H 1.729 0.020 2 245 28 28 LYS HB3 H 1.729 0.020 2 246 28 28 LYS HD2 H 1.512 0.020 2 247 28 28 LYS HD3 H 1.512 0.020 2 248 28 28 LYS HE2 H 2.785 0.020 2 249 28 28 LYS HE3 H 2.785 0.020 2 250 28 28 LYS HG2 H 1.234 0.020 2 251 28 28 LYS HG3 H 1.234 0.020 2 252 28 28 LYS CA C 59.540 0.400 1 253 28 28 LYS CB C 32.043 0.400 1 254 28 28 LYS CD C 29.297 0.400 1 255 28 28 LYS CE C 41.969 0.400 1 256 28 28 LYS CG C 24.758 0.400 1 257 28 28 LYS N N 116.830 0.400 1 258 29 29 VAL H H 7.215 0.020 1 259 29 29 VAL HA H 3.510 0.020 1 260 29 29 VAL HB H 1.649 0.020 1 261 29 29 VAL HG1 H 0.697 0.020 2 262 29 29 VAL HG2 H 0.804 0.020 2 263 29 29 VAL CA C 65.659 0.400 1 264 29 29 VAL CB C 31.590 0.400 1 265 29 29 VAL CG1 C 20.076 0.400 1 266 29 29 VAL CG2 C 21.585 0.400 1 267 29 29 VAL N N 120.859 0.400 1 268 30 30 PHE H H 8.432 0.020 1 269 30 30 PHE HA H 4.637 0.020 1 270 30 30 PHE HB2 H 2.126 0.020 2 271 30 30 PHE HB3 H 2.126 0.020 2 272 30 30 PHE CA C 56.054 0.400 1 273 30 30 PHE CB C 36.481 0.400 1 274 30 30 PHE N N 120.918 0.400 1 275 31 31 LYS H H 9.006 0.020 1 276 31 31 LYS HA H 4.069 0.020 1 277 31 31 LYS HB2 H 1.461 0.020 2 278 31 31 LYS HB3 H 1.544 0.020 2 279 31 31 LYS HD2 H 0.952 0.020 2 280 31 31 LYS HD3 H 1.014 0.020 2 281 31 31 LYS HE2 H 1.808 0.020 2 282 31 31 LYS HE3 H 1.548 0.020 2 283 31 31 LYS HG2 H 0.718 0.020 2 284 31 31 LYS HG3 H 0.718 0.020 2 285 31 31 LYS CA C 59.565 0.400 1 286 31 31 LYS CB C 31.394 0.400 1 287 31 31 LYS CD C 28.687 0.400 1 288 31 31 LYS CE C 41.337 0.400 1 289 31 31 LYS CG C 25.713 0.400 1 290 31 31 LYS N N 123.097 0.400 1 291 32 32 GLN H H 7.339 0.020 1 292 32 32 GLN HA H 3.958 0.020 1 293 32 32 GLN HB2 H 2.112 0.020 2 294 32 32 GLN HB3 H 2.112 0.020 2 295 32 32 GLN HG2 H 2.860 0.020 2 296 32 32 GLN HG3 H 2.860 0.020 2 297 32 32 GLN CA C 58.331 0.400 1 298 32 32 GLN CB C 27.886 0.400 1 299 32 32 GLN CG C 38.184 0.400 1 300 32 32 GLN N N 119.687 0.400 1 301 33 33 TYR H H 8.176 0.020 1 302 33 33 TYR HA H 4.170 0.020 1 303 33 33 TYR HB2 H 3.206 0.020 2 304 33 33 TYR HB3 H 3.206 0.020 2 305 33 33 TYR HD1 H 6.864 0.020 1 306 33 33 TYR HD2 H 6.864 0.020 1 307 33 33 TYR HE1 H 6.626 0.020 1 308 33 33 TYR HE2 H 6.626 0.020 1 309 33 33 TYR CA C 61.588 0.400 1 310 33 33 TYR CB C 38.450 0.400 1 311 33 33 TYR CD1 C 132.355 0.400 1 312 33 33 TYR CE1 C 117.742 0.400 1 313 33 33 TYR N N 121.277 0.400 1 314 34 34 ALA H H 9.116 0.020 1 315 34 34 ALA HA H 3.720 0.020 1 316 34 34 ALA HB H 1.752 0.020 1 317 34 34 ALA CA C 56.018 0.400 1 318 34 34 ALA CB C 17.708 0.400 1 319 34 34 ALA N N 122.799 0.400 1 320 35 35 ASN H H 8.145 0.020 1 321 35 35 ASN HA H 4.353 0.020 1 322 35 35 ASN HB2 H 2.651 0.020 2 323 35 35 ASN HB3 H 2.848 0.020 2 324 35 35 ASN CA C 56.544 0.400 1 325 35 35 ASN CB C 38.630 0.400 1 326 35 35 ASN N N 117.775 0.400 1 327 36 36 ASP H H 8.860 0.020 1 328 36 36 ASP HA H 4.259 0.020 1 329 36 36 ASP HB2 H 2.622 0.020 2 330 36 36 ASP HB3 H 2.460 0.020 2 331 36 36 ASP CA C 56.627 0.400 1 332 36 36 ASP CB C 39.779 0.400 1 333 36 36 ASP N N 121.600 0.400 1 334 37 37 ASN H H 7.295 0.020 1 335 37 37 ASN HA H 4.494 0.020 1 336 37 37 ASN HB2 H 2.010 0.020 2 337 37 37 ASN HB3 H 2.606 0.020 2 338 37 37 ASN CA C 53.442 0.400 1 339 37 37 ASN CB C 39.767 0.400 1 340 37 37 ASN N N 115.507 0.400 1 341 38 38 GLY H H 7.707 0.020 1 342 38 38 GLY HA2 H 3.825 0.020 2 343 38 38 GLY HA3 H 3.825 0.020 2 344 38 38 GLY CA C 46.578 0.400 1 345 38 38 GLY N N 108.350 0.400 1 346 39 39 VAL H H 8.028 0.020 1 347 39 39 VAL HA H 4.055 0.020 1 348 39 39 VAL HB H 1.642 0.020 1 349 39 39 VAL HG1 H 0.732 0.020 2 350 39 39 VAL HG2 H 0.549 0.020 2 351 39 39 VAL CA C 61.585 0.400 1 352 39 39 VAL CB C 33.012 0.400 1 353 39 39 VAL CG1 C 21.554 0.400 1 354 39 39 VAL CG2 C 21.347 0.400 1 355 39 39 VAL N N 121.048 0.400 1 356 40 40 ASP H H 8.411 0.020 1 357 40 40 ASP HA H 4.813 0.020 1 358 40 40 ASP HB2 H 2.620 0.020 2 359 40 40 ASP HB3 H 2.493 0.020 2 360 40 40 ASP CA C 52.033 0.400 1 361 40 40 ASP CB C 43.063 0.400 1 362 40 40 ASP N N 127.627 0.400 1 363 41 41 GLY H H 7.872 0.020 1 364 41 41 GLY HA2 H 3.666 0.020 2 365 41 41 GLY HA3 H 4.134 0.020 2 366 41 41 GLY CA C 45.286 0.400 1 367 41 41 GLY N N 107.760 0.400 1 368 42 42 GLU H H 7.928 0.020 1 369 42 42 GLU HA H 4.591 0.020 1 370 42 42 GLU HB2 H 1.852 0.020 2 371 42 42 GLU HB3 H 1.852 0.020 2 372 42 42 GLU HG2 H 2.255 0.020 2 373 42 42 GLU HG3 H 2.165 0.020 2 374 42 42 GLU CA C 55.281 0.400 1 375 42 42 GLU CB C 30.977 0.400 1 376 42 42 GLU CG C 36.337 0.400 1 377 42 42 GLU N N 120.772 0.400 1 378 43 43 TRP H H 9.260 0.020 1 379 43 43 TRP HA H 5.268 0.020 1 380 43 43 TRP HB2 H 3.056 0.020 2 381 43 43 TRP HB3 H 3.277 0.020 2 382 43 43 TRP HD1 H 7.463 0.020 1 383 43 43 TRP HE1 H 10.442 0.020 1 384 43 43 TRP CA C 57.383 0.400 1 385 43 43 TRP CB C 30.306 0.400 1 386 43 43 TRP CD1 C 126.727 0.400 1 387 43 43 TRP N N 128.350 0.400 1 388 43 43 TRP NE1 N 130.929 0.400 1 389 44 44 THR H H 9.182 0.020 1 390 44 44 THR HA H 4.729 0.020 1 391 44 44 THR HB H 4.138 0.020 1 392 44 44 THR HG2 H 1.314 0.020 1 393 44 44 THR CA C 60.083 0.400 1 394 44 44 THR CB C 71.920 0.400 1 395 44 44 THR CG2 C 25.096 0.400 1 396 44 44 THR N N 114.780 0.400 1 397 45 45 TYR H H 8.492 0.020 1 398 45 45 TYR HA H 4.854 0.020 1 399 45 45 TYR HB2 H 2.789 0.020 2 400 45 45 TYR HB3 H 2.438 0.020 2 401 45 45 TYR HD1 H 7.024 0.020 1 402 45 45 TYR HD2 H 7.024 0.020 1 403 45 45 TYR CA C 56.630 0.400 1 404 45 45 TYR CB C 41.066 0.400 1 405 45 45 TYR N N 120.753 0.400 1 406 46 46 ASP H H 7.525 0.020 1 407 46 46 ASP HA H 4.499 0.020 1 408 46 46 ASP HB2 H 2.158 0.020 2 409 46 46 ASP HB3 H 2.158 0.020 2 410 46 46 ASP CA C 51.422 0.400 1 411 46 46 ASP CB C 42.750 0.400 1 412 46 46 ASP N N 128.553 0.400 1 413 47 47 ASP H H 8.494 0.020 1 414 47 47 ASP HA H 4.021 0.020 1 415 47 47 ASP HB2 H 2.748 0.020 2 416 47 47 ASP HB3 H 2.424 0.020 2 417 47 47 ASP CA C 55.940 0.400 1 418 47 47 ASP CB C 41.883 0.400 1 419 47 47 ASP N N 125.145 0.400 1 420 48 48 ALA H H 8.260 0.020 1 421 48 48 ALA HA H 4.025 0.020 1 422 48 48 ALA HB H 1.404 0.020 1 423 48 48 ALA CA C 54.710 0.400 1 424 48 48 ALA CB C 18.110 0.400 1 425 48 48 ALA N N 120.038 0.400 1 426 49 49 THR H H 6.905 0.020 1 427 49 49 THR HA H 4.305 0.020 1 428 49 49 THR HB H 4.140 0.020 1 429 49 49 THR HG2 H 1.138 0.020 1 430 49 49 THR CA C 60.089 0.400 1 431 49 49 THR CB C 69.732 0.400 1 432 49 49 THR CG2 C 21.726 0.400 1 433 49 49 THR N N 103.271 0.400 1 434 50 50 LYS H H 7.767 0.020 1 435 50 50 LYS HA H 4.093 0.020 1 436 50 50 LYS HB2 H 1.931 0.020 2 437 50 50 LYS HB3 H 1.931 0.020 2 438 50 50 LYS HD2 H 1.314 0.020 2 439 50 50 LYS HD3 H 1.314 0.020 2 440 50 50 LYS HE2 H 2.989 0.020 2 441 50 50 LYS HE3 H 2.989 0.020 2 442 50 50 LYS HG2 H 1.577 0.020 2 443 50 50 LYS HG3 H 1.577 0.020 2 444 50 50 LYS CA C 56.188 0.400 1 445 50 50 LYS CB C 28.992 0.400 1 446 50 50 LYS CD C 28.206 0.400 1 447 50 50 LYS CE C 42.721 0.400 1 448 50 50 LYS CG C 25.666 0.400 1 449 50 50 LYS N N 123.333 0.400 1 450 51 51 THR H H 7.272 0.020 1 451 51 51 THR HA H 5.396 0.020 1 452 51 51 THR HB H 3.663 0.020 1 453 51 51 THR HG2 H 0.901 0.020 1 454 51 51 THR CA C 61.880 0.400 1 455 51 51 THR CB C 71.719 0.400 1 456 51 51 THR CG2 C 20.107 0.400 1 457 51 51 THR N N 111.251 0.400 1 458 52 52 PHE H H 10.302 0.020 1 459 52 52 PHE HA H 5.594 0.020 1 460 52 52 PHE HB2 H 3.120 0.020 2 461 52 52 PHE HB3 H 3.120 0.020 2 462 52 52 PHE HD1 H 7.703 0.020 1 463 52 52 PHE HD2 H 7.703 0.020 1 464 52 52 PHE HE1 H 7.026 0.020 1 465 52 52 PHE HE2 H 7.026 0.020 1 466 52 52 PHE CA C 56.822 0.400 1 467 52 52 PHE CB C 42.513 0.400 1 468 52 52 PHE CD1 C 131.853 0.400 1 469 52 52 PHE CE1 C 131.643 0.400 1 470 52 52 PHE N N 131.098 0.400 1 471 53 53 THR H H 9.023 0.020 1 472 53 53 THR HA H 5.100 0.020 1 473 53 53 THR HB H 3.735 0.020 1 474 53 53 THR HG2 H 0.854 0.020 1 475 53 53 THR CA C 61.213 0.400 1 476 53 53 THR CB C 70.732 0.400 1 477 53 53 THR CG2 C 20.595 0.400 1 478 53 53 THR N N 117.180 0.400 1 479 54 54 VAL H H 8.110 0.020 1 480 54 54 VAL HA H 4.380 0.020 1 481 54 54 VAL HB H -0.415 0.020 1 482 54 54 VAL HG1 H -0.450 0.020 2 483 54 54 VAL HG2 H 0.284 0.020 2 484 54 54 VAL CA C 57.632 0.400 1 485 54 54 VAL CB C 32.089 0.400 1 486 54 54 VAL CG1 C 20.693 0.400 1 487 54 54 VAL CG2 C 19.728 0.400 1 488 54 54 VAL N N 123.298 0.400 1 489 55 55 THR H H 8.259 0.020 1 490 55 55 THR HA H 4.609 0.020 1 491 55 55 THR HB H 3.748 0.020 1 492 55 55 THR HG2 H 1.064 0.020 1 493 55 55 THR CA C 60.557 0.400 1 494 55 55 THR CB C 70.375 0.400 1 495 55 55 THR CG2 C 21.209 0.400 1 496 55 55 THR N N 123.542 0.400 1 497 56 56 GLU H H 8.036 0.020 1 498 56 56 GLU HA H 4.426 0.020 1 499 56 56 GLU HB2 H 2.064 0.020 2 500 56 56 GLU HB3 H 2.064 0.020 2 501 56 56 GLU HG2 H 2.349 0.020 2 502 56 56 GLU HG3 H 2.349 0.020 2 503 56 56 GLU CA C 56.009 0.400 1 504 56 56 GLU CB C 31.509 0.400 1 505 56 56 GLU CG C 36.538 0.400 1 506 56 56 GLU N N 129.007 0.400 1 507 57 57 GLY H H 8.705 0.020 1 508 57 57 GLY HA2 H 3.998 0.020 2 509 57 57 GLY HA3 H 3.878 0.020 2 510 57 57 GLY CA C 44.974 0.400 1 511 57 57 GLY N N 112.796 0.400 1 512 58 58 SER H H 8.246 0.020 1 513 58 58 SER HA H 4.370 0.020 1 514 58 58 SER HB2 H 3.746 0.020 2 515 58 58 SER HB3 H 3.746 0.020 2 516 58 58 SER CA C 57.911 0.400 1 517 58 58 SER CB C 63.689 0.400 1 518 58 58 SER N N 115.343 0.400 1 519 59 59 ASN CA C 51.844 0.400 1 520 59 59 ASN CB C 38.463 0.400 1 521 60 60 ALA H H 8.135 0.020 1 522 60 60 ALA HA H 4.180 0.020 1 523 60 60 ALA CA C 51.931 0.400 1 524 60 60 ALA CB C 18.829 0.400 1 525 60 60 ALA N N 123.910 0.400 1 526 61 61 MET H H 8.200 0.020 1 527 61 61 MET HA H 4.267 0.020 1 528 61 61 MET HB2 H 1.814 0.020 2 529 61 61 MET HB3 H 1.814 0.020 2 530 61 61 MET HE H 0.769 0.020 1 531 61 61 MET HG2 H 2.401 0.020 2 532 61 61 MET HG3 H 2.401 0.020 2 533 61 61 MET CA C 55.148 0.400 1 534 61 61 MET CB C 32.660 0.400 1 535 61 61 MET CE C 18.299 0.400 1 536 61 61 MET CG C 32.161 0.400 1 537 61 61 MET N N 119.920 0.400 1 538 62 62 VAL H H 7.878 0.020 1 539 62 62 VAL HA H 4.062 0.020 1 540 62 62 VAL HB H 1.516 0.020 1 541 62 62 VAL HG1 H 0.579 0.020 2 542 62 62 VAL HG2 H 0.508 0.020 2 543 62 62 VAL CA C 60.227 0.400 1 544 62 62 VAL CB C 34.077 0.400 1 545 62 62 VAL CG1 C 19.624 0.400 1 546 62 62 VAL CG2 C 21.013 0.400 1 547 62 62 VAL N N 119.682 0.400 1 548 63 63 CYS H H 7.905 0.020 1 549 63 63 CYS HA H 4.109 0.020 1 550 63 63 CYS HB2 H 1.849 0.020 2 551 63 63 CYS HB3 H 2.819 0.020 2 552 63 63 CYS CA C 59.346 0.400 1 553 63 63 CYS CB C 30.462 0.400 1 554 63 63 CYS N N 128.875 0.400 1 555 64 64 PHE H H 8.375 0.020 1 556 64 64 PHE HA H 4.373 0.020 1 557 64 64 PHE HB2 H 3.211 0.020 2 558 64 64 PHE HB3 H 2.947 0.020 2 559 64 64 PHE HD1 H 7.139 0.020 1 560 64 64 PHE HD2 H 7.139 0.020 1 561 64 64 PHE CA C 59.506 0.400 1 562 64 64 PHE CB C 39.420 0.400 1 563 64 64 PHE CD1 C 131.003 0.400 1 564 64 64 PHE N N 128.676 0.400 1 565 65 65 HIS H H 9.311 0.020 1 566 65 65 HIS HA H 4.669 0.020 1 567 65 65 HIS HB2 H 2.992 0.020 2 568 65 65 HIS HB3 H 2.992 0.020 2 569 65 65 HIS CA C 58.760 0.400 1 570 65 65 HIS CB C 31.411 0.400 1 571 65 65 HIS N N 120.588 0.400 1 572 66 66 CYS H H 8.658 0.020 1 573 66 66 CYS HA H 4.840 0.020 1 574 66 66 CYS HB2 H 3.153 0.020 2 575 66 66 CYS HB3 H 3.153 0.020 2 576 66 66 CYS CA C 58.591 0.400 1 577 66 66 CYS CB C 30.819 0.400 1 578 66 66 CYS N N 117.913 0.400 1 579 67 67 ARG H H 7.789 0.020 1 580 67 67 ARG CA C 56.525 0.400 1 581 67 67 ARG CB C 25.129 0.400 1 582 67 67 ARG N N 116.093 0.400 1 583 68 68 LYS H H 8.075 0.020 1 584 68 68 LYS HA H 4.650 0.020 1 585 68 68 LYS CA C 53.215 0.400 1 586 68 68 LYS CB C 29.501 0.400 1 587 68 68 LYS N N 118.463 0.400 1 588 69 69 PRO HA H 4.067 0.020 1 589 69 69 PRO HB2 H 1.832 0.020 2 590 69 69 PRO HB3 H 2.132 0.020 2 591 69 69 PRO HD2 H 3.559 0.020 2 592 69 69 PRO HD3 H 3.293 0.020 2 593 69 69 PRO HG2 H 1.724 0.020 2 594 69 69 PRO HG3 H 1.832 0.020 2 595 69 69 PRO CA C 61.714 0.400 1 596 69 69 PRO CB C 31.848 0.400 1 597 69 69 PRO CD C 50.353 0.400 1 598 69 69 PRO CG C 26.990 0.400 1 599 70 70 GLY H H 8.396 0.020 1 600 70 70 GLY HA2 H 4.312 0.020 2 601 70 70 GLY HA3 H 3.613 0.020 2 602 70 70 GLY CA C 45.603 0.400 1 603 70 70 GLY N N 105.894 0.400 1 604 71 71 HIS H H 7.162 0.020 1 605 71 71 HIS HA H 4.718 0.020 1 606 71 71 HIS HB2 H 3.147 0.020 2 607 71 71 HIS HB3 H 3.147 0.020 2 608 71 71 HIS HD2 H 7.064 0.020 1 609 71 71 HIS CA C 55.317 0.400 1 610 71 71 HIS CB C 30.168 0.400 1 611 71 71 HIS N N 113.622 0.400 1 612 72 72 GLY H H 8.624 0.020 1 613 72 72 GLY HA2 H 4.542 0.020 2 614 72 72 GLY HA3 H 3.723 0.020 2 615 72 72 GLY CA C 43.071 0.400 1 616 72 72 GLY N N 106.166 0.400 1 617 73 73 ILE H H 8.253 0.020 1 618 73 73 ILE HA H 4.339 0.020 1 619 73 73 ILE HB H 1.877 0.020 1 620 73 73 ILE HD1 H 0.895 0.020 1 621 73 73 ILE HG12 H 1.497 0.020 2 622 73 73 ILE HG13 H 1.497 0.020 2 623 73 73 ILE HG2 H 0.979 0.020 1 624 73 73 ILE CA C 64.096 0.400 1 625 73 73 ILE CB C 38.335 0.400 1 626 73 73 ILE CD1 C 15.10 0.400 1 627 73 73 ILE CG1 C 28.742 0.400 1 628 73 73 ILE CG2 C 21.174 0.400 1 629 73 73 ILE N N 119.048 0.400 1 630 74 74 ALA H H 8.433 0.020 1 631 74 74 ALA HA H 4.221 0.020 1 632 74 74 ALA HB H 1.365 0.020 1 633 74 74 ALA CA C 53.823 0.400 1 634 74 74 ALA CB C 18.588 0.400 1 635 74 74 ALA N N 123.267 0.400 1 636 75 75 ASP H H 7.765 0.020 1 637 75 75 ASP HA H 4.749 0.020 1 638 75 75 ASP HB2 H 2.375 0.020 2 639 75 75 ASP HB3 H 2.375 0.020 2 640 75 75 ASP CA C 52.412 0.400 1 641 75 75 ASP CB C 42.257 0.400 1 642 75 75 ASP N N 114.267 0.400 1 643 76 76 CYS H H 7.321 0.020 1 644 76 76 CYS HA H 4.353 0.020 1 645 76 76 CYS HB2 H 3.313 0.020 2 646 76 76 CYS HB3 H 3.313 0.020 2 647 76 76 CYS CA C 58.039 0.400 1 648 76 76 CYS CB C 30.555 0.400 1 649 76 76 CYS N N 124.886 0.400 1 650 78 78 ALA H H 8.148 0.020 1 651 78 78 ALA HA H 4.191 0.020 1 652 78 78 ALA HB H 1.254 0.020 1 653 78 78 ALA CA C 52.785 0.400 1 654 78 78 ALA CB C 19.033 0.400 1 655 78 78 ALA N N 123.957 0.400 1 656 79 79 ALA H H 8.055 0.020 1 657 79 79 ALA HA H 4.115 0.020 1 658 79 79 ALA HB H 1.292 0.020 1 659 79 79 ALA CA C 53.238 0.400 1 660 79 79 ALA CB C 18.209 0.400 1 661 79 79 ALA N N 121.656 0.400 1 662 80 80 LEU H H 7.767 0.020 1 663 80 80 LEU HA H 4.062 0.020 1 664 80 80 LEU HB2 H 1.447 0.020 2 665 80 80 LEU HB3 H 1.546 0.020 2 666 80 80 LEU HD1 H 0.724 0.020 2 667 80 80 LEU HD2 H 0.758 0.020 2 668 80 80 LEU HG H 1.544 0.020 1 669 80 80 LEU CA C 55.517 0.400 1 670 80 80 LEU CB C 41.859 0.400 1 671 80 80 LEU CD1 C 23.050 0.400 1 672 80 80 LEU CD2 C 24.744 0.400 1 673 80 80 LEU CG C 27.512 0.400 1 674 80 80 LEU N N 119.225 0.400 1 675 81 81 GLU H H 8.006 0.020 1 676 81 81 GLU HA H 4.097 0.020 1 677 81 81 GLU HB2 H 1.863 0.020 2 678 81 81 GLU HB3 H 1.863 0.020 2 679 81 81 GLU HG2 H 2.156 0.020 2 680 81 81 GLU HG3 H 2.156 0.020 2 681 81 81 GLU CA C 56.725 0.400 1 682 81 81 GLU CB C 29.671 0.400 1 683 81 81 GLU CG C 37.089 0.400 1 684 81 81 GLU N N 119.369 0.400 1 685 82 82 ASN H H 8.078 0.020 1 686 82 82 ASN HA H 4.936 0.020 1 687 82 82 ASN CA C 53.160 0.400 1 688 82 82 ASN CB C 38.465 0.400 1 689 82 82 ASN N N 118.181 0.400 1 690 83 83 GLN H H 8.115 0.020 1 691 83 83 GLN HA H 4.164 0.020 1 692 83 83 GLN HB2 H 2.036 0.020 2 693 83 83 GLN HB3 H 1.860 0.020 2 694 83 83 GLN HG2 H 2.215 0.020 2 695 83 83 GLN HG3 H 2.215 0.020 2 696 83 83 GLN CA C 55.795 0.400 1 697 83 83 GLN CB C 28.896 0.400 1 698 83 83 GLN CG C 33.131 0.400 1 699 83 83 GLN N N 119.903 0.400 1 700 84 84 ASP CA C 56.629 0.400 1 701 84 84 ASP CB C 42.393 0.400 1 702 85 85 MET H H 8.475 0.020 1 703 85 85 MET HA H 4.931 0.020 1 704 85 85 MET CA C 58.332 0.400 1 705 85 85 MET CB C 32.394 0.400 1 706 85 85 MET N N 117.636 0.400 1 707 86 86 GLY H H 8.167 0.020 1 708 86 86 GLY HA2 H 3.555 0.020 2 709 86 86 GLY HA3 H 3.555 0.020 2 710 86 86 GLY CA C 45.169 0.400 1 711 86 86 GLY N N 114.179 0.400 1 712 87 87 THR H H 8.033 0.020 1 713 87 87 THR HA H 4.284 0.020 1 714 87 87 THR HB H 4.207 0.020 1 715 87 87 THR HG2 H 1.093 0.020 1 716 87 87 THR CA C 61.519 0.400 1 717 87 87 THR CB C 69.532 0.400 1 718 87 87 THR CG2 C 21.662 0.400 1 719 87 87 THR N N 112.516 0.400 1 720 88 88 GLY H H 8.452 0.020 1 721 88 88 GLY HA2 H 3.748 0.020 2 722 88 88 GLY HA3 H 3.748 0.020 2 723 88 88 GLY CA C 45.223 0.400 1 724 88 88 GLY N N 111.403 0.400 1 725 89 89 ILE H H 7.295 0.020 1 726 89 89 ILE HA H 4.384 0.020 1 727 89 89 ILE HB H 1.382 0.020 1 728 89 89 ILE HD1 H 0.758 0.020 1 729 89 89 ILE HG12 H 1.323 0.020 2 730 89 89 ILE HG13 H 1.323 0.020 2 731 89 89 ILE HG2 H 0.587 0.020 1 732 89 89 ILE CA C 58.780 0.400 1 733 89 89 ILE CB C 41.389 0.400 1 734 89 89 ILE CD1 C 14.196 0.400 1 735 89 89 ILE CG1 C 28.206 0.400 1 736 89 89 ILE CG2 C 17.113 0.400 1 737 89 89 ILE N N 116.054 0.400 1 738 90 90 CYS H H 8.668 0.020 1 739 90 90 CYS HA H 4.012 0.020 1 740 90 90 CYS HB2 H 2.587 0.020 2 741 90 90 CYS HB3 H 2.587 0.020 2 742 90 90 CYS CA C 59.133 0.400 1 743 90 90 CYS CB C 28.292 0.400 1 744 90 90 CYS N N 126.411 0.400 1 745 91 91 TYR H H 7.651 0.020 1 746 91 91 TYR HA H 4.362 0.020 1 747 91 91 TYR HB2 H 2.854 0.020 2 748 91 91 TYR HB3 H 2.854 0.020 2 749 91 91 TYR HD1 H 7.042 0.020 1 750 91 91 TYR HD2 H 7.042 0.020 1 751 91 91 TYR HE1 H 6.846 0.020 1 752 91 91 TYR HE2 H 6.846 0.020 1 753 91 91 TYR CA C 58.075 0.400 1 754 91 91 TYR CB C 38.252 0.400 1 755 91 91 TYR CE1 C 118.735 0.400 1 756 91 91 TYR N N 127.385 0.400 1 757 92 92 ARG H H 9.068 0.020 1 758 92 92 ARG HA H 4.571 0.020 1 759 92 92 ARG CA C 58.807 0.400 1 760 92 92 ARG CB C 30.270 0.400 1 761 92 92 ARG N N 121.312 0.400 1 762 93 93 CYS H H 8.356 0.020 1 763 93 93 CYS HA H 4.971 0.020 1 764 93 93 CYS HB2 H 2.211 0.020 2 765 93 93 CYS HB3 H 2.211 0.020 2 766 93 93 CYS CA C 58.038 0.400 1 767 93 93 CYS CB C 32.722 0.400 1 768 93 93 CYS N N 115.201 0.400 1 769 94 94 GLY H H 8.089 0.020 1 770 94 94 GLY HA2 H 3.953 0.020 2 771 94 94 GLY HA3 H 3.953 0.020 2 772 94 94 GLY CA C 44.440 0.400 1 773 94 94 GLY N N 115.976 0.400 1 774 95 95 SER H H 7.843 0.020 1 775 95 95 SER HA H 4.576 0.020 1 776 95 95 SER HB2 H 3.733 0.020 2 777 95 95 SER HB3 H 3.733 0.020 2 778 95 95 SER CA C 58.297 0.400 1 779 95 95 SER CB C 64.373 0.400 1 780 95 95 SER N N 115.553 0.400 1 781 96 96 THR H H 8.185 0.020 1 782 96 96 THR HA H 4.488 0.020 1 783 96 96 THR HB H 4.423 0.020 1 784 96 96 THR HG2 H 1.092 0.020 1 785 96 96 THR CA C 61.401 0.400 1 786 96 96 THR CB C 68.620 0.400 1 787 96 96 THR CG2 C 21.617 0.400 1 788 96 96 THR N N 114.034 0.400 1 789 97 97 GLU H H 8.501 0.020 1 790 97 97 GLU HA H 4.099 0.020 1 791 97 97 GLU HB2 H 2.328 0.020 2 792 97 97 GLU HB3 H 2.328 0.020 2 793 97 97 GLU HG2 H 1.920 0.020 2 794 97 97 GLU HG3 H 1.920 0.020 2 795 97 97 GLU CA C 56.337 0.400 1 796 97 97 GLU CB C 30.563 0.400 1 797 97 97 GLU CG C 34.801 0.400 1 798 97 97 GLU N N 119.068 0.400 1 799 98 98 HIS H H 6.644 0.020 1 800 98 98 HIS HA H 4.667 0.020 1 801 98 98 HIS HD2 H 6.878 0.020 1 802 98 98 HIS CA C 54.422 0.400 1 803 98 98 HIS CB C 30.868 0.400 1 804 98 98 HIS N N 111.263 0.400 1 805 99 99 GLU H H 8.197 0.020 1 806 99 99 GLU HA H 4.491 0.020 1 807 99 99 GLU HB2 H 2.407 0.020 2 808 99 99 GLU HB3 H 2.535 0.020 2 809 99 99 GLU HG2 H 2.652 0.020 2 810 99 99 GLU HG3 H 2.552 0.020 2 811 99 99 GLU CA C 53.926 0.400 1 812 99 99 GLU CB C 31.356 0.400 1 813 99 99 GLU CG C 41.193 0.400 1 814 99 99 GLU N N 115.793 0.400 1 815 100 100 ILE H H 8.621 0.020 1 816 100 100 ILE CA C 64.279 0.400 1 817 100 100 ILE CB C 38.477 0.400 1 818 100 100 ILE N N 120.750 0.400 1 819 101 101 THR H H 7.685 0.020 1 820 101 101 THR HA H 4.043 0.020 1 821 101 101 THR HB H 4.226 0.020 1 822 101 101 THR HG2 H 1.279 0.020 1 823 101 101 THR CA C 63.881 0.400 1 824 101 101 THR CB C 68.071 0.400 1 825 101 101 THR CG2 C 22.593 0.400 1 826 101 101 THR N N 112.813 0.400 1 827 102 102 LYS H H 7.815 0.020 1 828 102 102 LYS HA H 4.392 0.020 1 829 102 102 LYS HB2 H 2.053 0.020 2 830 102 102 LYS HB3 H 2.053 0.020 2 831 102 102 LYS HD2 H 1.576 0.020 2 832 102 102 LYS HD3 H 1.576 0.020 2 833 102 102 LYS HE2 H 2.870 0.020 2 834 102 102 LYS HE3 H 2.870 0.020 2 835 102 102 LYS HG2 H 1.937 0.020 2 836 102 102 LYS HG3 H 1.937 0.020 2 837 102 102 LYS CA C 54.071 0.400 1 838 102 102 LYS CB C 32.286 0.400 1 839 102 102 LYS CD C 28.465 0.400 1 840 102 102 LYS CE C 42.666 0.400 1 841 102 102 LYS CG C 26.833 0.400 1 842 102 102 LYS N N 118.976 0.400 1 843 103 103 CYS H H 7.303 0.020 1 844 103 103 CYS HA H 3.100 0.020 1 845 103 103 CYS HB2 H 3.156 0.020 2 846 103 103 CYS HB3 H 2.808 0.020 2 847 103 103 CYS CA C 62.264 0.400 1 848 103 103 CYS CB C 31.148 0.400 1 849 103 103 CYS N N 124.270 0.400 1 850 104 104 LYS H H 8.415 0.020 1 851 104 104 LYS HA H 4.421 0.020 1 852 104 104 LYS HB2 H 2.059 0.020 2 853 104 104 LYS HB3 H 2.059 0.020 2 854 104 104 LYS HD2 H 1.514 0.020 2 855 104 104 LYS HD3 H 1.514 0.020 2 856 104 104 LYS HE2 H 2.868 0.020 2 857 104 104 LYS HE3 H 2.868 0.020 2 858 104 104 LYS HG2 H 1.928 0.020 2 859 104 104 LYS HG3 H 1.928 0.020 2 860 104 104 LYS CA C 54.692 0.400 1 861 104 104 LYS CB C 32.112 0.400 1 862 104 104 LYS CD C 28.736 0.400 1 863 104 104 LYS CE C 41.809 0.400 1 864 104 104 LYS CG C 27.056 0.400 1 865 104 104 LYS N N 128.608 0.400 1 866 105 105 ALA H H 9.046 0.020 1 867 105 105 ALA HA H 4.134 0.020 1 868 105 105 ALA HB H 1.255 0.020 1 869 105 105 ALA CA C 52.516 0.400 1 870 105 105 ALA CB C 19.306 0.400 1 871 105 105 ALA N N 128.043 0.400 1 872 106 106 LYS H H 8.390 0.020 1 873 106 106 LYS HA H 4.236 0.020 1 874 106 106 LYS CA C 55.026 0.400 1 875 106 106 LYS CB C 32.479 0.400 1 876 106 106 LYS N N 121.494 0.400 1 877 107 107 VAL H H 8.195 0.020 1 878 107 107 VAL HA H 3.897 0.020 1 879 107 107 VAL HB H 1.784 0.020 1 880 107 107 VAL HG1 H 0.769 0.020 2 881 107 107 VAL HG2 H 0.612 0.020 2 882 107 107 VAL CA C 61.727 0.400 1 883 107 107 VAL CB C 31.621 0.400 1 884 107 107 VAL CG1 C 21.393 0.400 1 885 107 107 VAL CG2 C 20.657 0.400 1 886 107 107 VAL N N 123.268 0.400 1 887 108 108 ASP H H 9.078 0.020 1 888 108 108 ASP HA H 4.834 0.020 1 889 108 108 ASP HB2 H 2.478 0.020 2 890 108 108 ASP HB3 H 2.859 0.020 2 891 108 108 ASP CA C 50.482 0.400 1 892 108 108 ASP CB C 41.486 0.400 1 893 108 108 ASP N N 129.537 0.400 1 894 109 109 PRO CA C 64.448 0.400 1 895 109 109 PRO CB C 33.394 0.400 1 896 110 110 ALA H H 8.321 0.020 1 897 110 110 ALA HA H 4.075 0.020 1 898 110 110 ALA HB H 1.297 0.020 1 899 110 110 ALA CA C 53.467 0.400 1 900 110 110 ALA CB C 18.403 0.400 1 901 110 110 ALA N N 119.090 0.400 1 902 111 111 LEU H H 7.593 0.020 1 903 111 111 LEU HA H 4.266 0.020 1 904 111 111 LEU HB2 H 1.418 0.020 2 905 111 111 LEU HB3 H 1.448 0.020 2 906 111 111 LEU HD1 H 0.863 0.020 2 907 111 111 LEU HD2 H 0.706 0.020 2 908 111 111 LEU HG H 1.905 0.020 1 909 111 111 LEU CA C 54.473 0.400 1 910 111 111 LEU CB C 42.604 0.400 1 911 111 111 LEU CD1 C 25.401 0.400 1 912 111 111 LEU CD2 C 22.428 0.400 1 913 111 111 LEU CG C 26.993 0.400 1 914 111 111 LEU N N 116.878 0.400 1 915 112 112 GLY H H 7.598 0.020 1 916 112 112 GLY HA2 H 4.168 0.020 2 917 112 112 GLY HA3 H 3.618 0.020 2 918 112 112 GLY CA C 43.618 0.400 1 919 112 112 GLY N N 106.135 0.400 1 920 113 113 GLU H H 8.177 0.020 1 921 113 113 GLU HA H 4.039 0.020 1 922 113 113 GLU HB2 H 2.083 0.020 2 923 113 113 GLU HB3 H 2.083 0.020 2 924 113 113 GLU HG2 H 2.333 0.020 2 925 113 113 GLU HG3 H 2.333 0.020 2 926 113 113 GLU CA C 58.143 0.400 1 927 113 113 GLU CB C 30.695 0.400 1 928 113 113 GLU CG C 36.338 0.400 1 929 113 113 GLU N N 116.832 0.400 1 930 114 114 PHE H H 7.719 0.020 1 931 114 114 PHE HA H 4.778 0.020 1 932 114 114 PHE HB2 H 2.492 0.020 2 933 114 114 PHE HB3 H 2.492 0.020 2 934 114 114 PHE HD1 H 7.281 0.020 1 935 114 114 PHE HD2 H 7.281 0.020 1 936 114 114 PHE CA C 52.914 0.400 1 937 114 114 PHE CB C 41.632 0.400 1 938 114 114 PHE N N 117.946 0.400 1 939 115 115 PRO CA C 64.835 0.400 1 940 115 115 PRO CB C 30.055 0.400 1 941 116 116 PHE H H 8.167 0.020 1 942 116 116 PHE HA H 4.332 0.020 1 943 116 116 PHE HB2 H 3.291 0.020 2 944 116 116 PHE HB3 H 3.291 0.020 2 945 116 116 PHE HD1 H 6.965 0.020 1 946 116 116 PHE HD2 H 6.965 0.020 1 947 116 116 PHE CA C 57.795 0.400 1 948 116 116 PHE CB C 37.992 0.400 1 949 116 116 PHE CD1 C 131.999 0.400 1 950 116 116 PHE N N 111.916 0.400 1 951 117 117 ALA H H 7.508 0.020 1 952 117 117 ALA HA H 3.730 0.020 1 953 117 117 ALA HB H 0.558 0.020 1 954 117 117 ALA CA C 51.832 0.400 1 955 117 117 ALA CB C 19.149 0.400 1 956 117 117 ALA N N 122.704 0.400 1 957 118 118 LYS H H 7.500 0.020 1 958 118 118 LYS HA H 4.481 0.020 1 959 118 118 LYS CA C 54.390 0.400 1 960 118 118 LYS CB C 34.913 0.400 1 961 118 118 LYS N N 122.209 0.400 1 962 119 119 CYS H H 8.304 0.020 1 963 119 119 CYS HA H 3.977 0.020 1 964 119 119 CYS HB2 H 2.632 0.020 2 965 119 119 CYS HB3 H 2.632 0.020 2 966 119 119 CYS CA C 59.121 0.400 1 967 119 119 CYS CB C 29.404 0.400 1 968 119 119 CYS N N 131.026 0.400 1 969 120 120 PHE H H 8.230 0.020 1 970 120 120 PHE HA H 4.787 0.020 1 971 120 120 PHE HD1 H 6.823 0.020 1 972 120 120 PHE HD2 H 6.823 0.020 1 973 120 120 PHE CA C 58.516 0.400 1 974 120 120 PHE CB C 38.363 0.400 1 975 120 120 PHE N N 127.790 0.400 1 976 121 121 VAL H H 9.498 0.020 1 977 121 121 VAL HA H 3.791 0.020 1 978 121 121 VAL HB H 2.438 0.020 1 979 121 121 VAL HG1 H 0.727 0.020 2 980 121 121 VAL HG2 H 0.859 0.020 2 981 121 121 VAL CA C 65.514 0.400 1 982 121 121 VAL CB C 31.163 0.400 1 983 121 121 VAL CG1 C 22.078 0.400 1 984 121 121 VAL CG2 C 21.409 0.400 1 985 121 121 VAL N N 125.324 0.400 1 986 122 122 CYS H H 8.737 0.020 1 987 122 122 CYS HA H 4.875 0.020 1 988 122 122 CYS HB2 H 3.166 0.020 2 989 122 122 CYS HB3 H 3.166 0.020 2 990 122 122 CYS CA C 58.280 0.400 1 991 122 122 CYS CB C 31.989 0.400 1 992 122 122 CYS N N 118.844 0.400 1 993 123 123 GLY H H 7.422 0.020 1 994 123 123 GLY HA2 H 4.070 0.020 2 995 123 123 GLY HA3 H 4.027 0.020 2 996 123 123 GLY CA C 45.920 0.400 1 997 123 123 GLY N N 113.320 0.400 1 998 124 124 GLU H H 8.228 0.020 1 999 124 124 GLU HA H 4.177 0.020 1 1000 124 124 GLU CA C 55.696 0.400 1 1001 124 124 GLU CB C 30.639 0.400 1 1002 124 124 GLU N N 121.394 0.400 1 1003 125 125 MET H H 8.130 0.020 1 1004 125 125 MET HA H 5.137 0.020 1 1005 125 125 MET CA C 52.649 0.400 1 1006 125 125 MET CB C 31.062 0.400 1 1007 125 125 MET N N 115.648 0.400 1 1008 126 126 GLY H H 8.863 0.020 1 1009 126 126 GLY HA2 H 4.332 0.020 2 1010 126 126 GLY HA3 H 4.332 0.020 2 1011 126 126 GLY CA C 45.336 0.400 1 1012 126 126 GLY N N 107.757 0.400 1 1013 127 127 HIS H H 6.952 0.020 1 1014 127 127 HIS HA H 4.427 0.020 1 1015 127 127 HIS HD2 H 7.062 0.020 1 1016 127 127 HIS CA C 54.770 0.400 1 1017 127 127 HIS CB C 28.930 0.400 1 1018 127 127 HIS N N 112.845 0.400 1 1019 128 128 LEU H H 7.807 0.020 1 1020 128 128 LEU HA H 4.336 0.020 1 1021 128 128 LEU CA C 52.357 0.400 1 1022 128 128 LEU CB C 43.445 0.400 1 1023 128 128 LEU N N 115.123 0.400 1 1024 129 129 SER H H 8.754 0.020 1 1025 129 129 SER HA H 4.590 0.020 1 1026 129 129 SER HB2 H 3.833 0.020 2 1027 129 129 SER HB3 H 3.833 0.020 2 1028 129 129 SER CA C 61.543 0.400 1 1029 129 129 SER CB C 63.412 0.400 1 1030 129 129 SER N N 117.533 0.400 1 1031 130 130 ARG CA C 56.165 0.400 1 1032 130 130 ARG CB C 30.569 0.400 1 1033 131 131 SER H H 7.370 0.020 1 1034 131 131 SER HA H 4.073 0.020 1 1035 131 131 SER CA C 58.236 0.400 1 1036 131 131 SER CB C 63.563 0.400 1 1037 131 131 SER N N 126.753 0.400 1 1038 132 132 CYS H H 7.847 0.020 1 1039 132 132 CYS HA H 4.464 0.020 1 1040 132 132 CYS HB2 H 3.137 0.020 2 1041 132 132 CYS HB3 H 3.137 0.020 2 1042 132 132 CYS CA C 55.882 0.400 1 1043 132 132 CYS CB C 31.759 0.400 1 1044 132 132 CYS N N 115.418 0.400 1 1045 133 133 PRO CA C 63.831 0.400 1 1046 133 133 PRO CB C 31.675 0.400 1 1047 134 134 ASP H H 8.818 0.020 1 1048 134 134 ASP HA H 4.591 0.020 1 1049 134 134 ASP HB2 H 2.685 0.020 2 1050 134 134 ASP HB3 H 2.685 0.020 2 1051 134 134 ASP CA C 53.891 0.400 1 1052 134 134 ASP CB C 40.043 0.400 1 1053 134 134 ASP N N 120.553 0.400 1 1054 135 135 ASN H H 7.580 0.020 1 1055 135 135 ASN HA H 4.770 0.020 1 1056 135 135 ASN HB2 H 2.847 0.020 2 1057 135 135 ASN HB3 H 2.847 0.020 2 1058 135 135 ASN CA C 50.886 0.400 1 1059 135 135 ASN CB C 38.709 0.400 1 1060 135 135 ASN N N 118.962 0.400 1 1061 137 137 LYS H H 8.114 0.020 1 1062 137 137 LYS HA H 4.183 0.020 1 1063 137 137 LYS CA C 55.851 0.400 1 1064 137 137 LYS CB C 32.197 0.400 1 1065 137 137 LYS N N 120.102 0.400 1 1066 138 138 GLY H H 7.989 0.020 1 1067 138 138 GLY HA2 H 3.820 0.020 2 1068 138 138 GLY HA3 H 3.820 0.020 2 1069 138 138 GLY CA C 45.088 0.400 1 1070 138 138 GLY N N 108.571 0.400 1 1071 139 139 LEU H H 7.967 0.020 1 1072 139 139 LEU HA H 4.314 0.020 1 1073 139 139 LEU CA C 55.342 0.400 1 1074 139 139 LEU CB C 42.168 0.400 1 1075 139 139 LEU N N 121.131 0.400 1 1076 140 140 TYR H H 8.101 0.020 1 1077 140 140 TYR HA H 4.086 0.020 1 1078 140 140 TYR HD1 H 6.954 0.020 1 1079 140 140 TYR HD2 H 6.954 0.020 1 1080 140 140 TYR CA C 56.955 0.400 1 1081 140 140 TYR CB C 38.217 0.400 1 1082 140 140 TYR CD1 C 132.663 0.400 1 1083 140 140 TYR N N 118.522 0.400 1 1084 141 141 ALA H H 8.017 0.020 1 1085 141 141 ALA HA H 4.130 0.020 1 1086 141 141 ALA HB H 1.288 0.020 1 1087 141 141 ALA CA C 52.516 0.400 1 1088 141 141 ALA CB C 18.918 0.400 1 1089 141 141 ALA N N 124.803 0.400 1 1090 142 142 ASP H H 8.205 0.020 1 1091 142 142 ASP HA H 4.487 0.020 1 1092 142 142 ASP HB2 H 2.402 0.020 2 1093 142 142 ASP HB3 H 2.402 0.020 2 1094 142 142 ASP CA C 54.060 0.400 1 1095 142 142 ASP CB C 39.408 0.400 1 1096 142 142 ASP N N 118.461 0.400 1 1097 143 143 GLY H H 8.130 0.020 1 1098 143 143 GLY HA2 H 3.952 0.020 2 1099 143 143 GLY HA3 H 3.952 0.020 2 1100 143 143 GLY CA C 44.934 0.400 1 1101 143 143 GLY N N 109.124 0.400 1 1102 144 144 GLY H H 8.124 0.020 1 1103 144 144 GLY HA2 H 3.820 0.020 2 1104 144 144 GLY HA3 H 3.820 0.020 2 1105 144 144 GLY CA C 44.486 0.400 1 1106 144 144 GLY N N 108.220 0.400 1 1107 145 145 GLY H H 7.621 0.020 1 1108 145 145 GLY HA2 H 3.406 0.020 2 1109 145 145 GLY HA3 H 3.304 0.020 2 1110 145 145 GLY CA C 43.783 0.400 1 1111 145 145 GLY N N 107.253 0.400 1 1112 146 146 CYS H H 8.779 0.020 1 1113 146 146 CYS HA H 4.019 0.020 1 1114 146 146 CYS HB2 H 2.792 0.020 2 1115 146 146 CYS HB3 H 2.792 0.020 2 1116 146 146 CYS CA C 60.123 0.400 1 1117 146 146 CYS CB C 29.236 0.400 1 1118 146 146 CYS N N 125.060 0.400 1 1119 147 147 LYS H H 8.374 0.020 1 1120 147 147 LYS HA H 4.018 0.020 1 1121 147 147 LYS HB2 H 1.649 0.020 2 1122 147 147 LYS HB3 H 1.649 0.020 2 1123 147 147 LYS HD2 H 1.582 0.020 2 1124 147 147 LYS HD3 H 1.582 0.020 2 1125 147 147 LYS HE2 H 2.917 0.020 2 1126 147 147 LYS HE3 H 2.917 0.020 2 1127 147 147 LYS HG2 H 1.356 0.020 2 1128 147 147 LYS HG3 H 1.356 0.020 2 1129 147 147 LYS CA C 57.573 0.400 1 1130 147 147 LYS CB C 32.412 0.400 1 1131 147 147 LYS CD C 29.091 0.400 1 1132 147 147 LYS CE C 41.984 0.400 1 1133 147 147 LYS CG C 24.891 0.400 1 1134 147 147 LYS N N 129.796 0.400 1 1135 148 148 LEU H H 9.139 0.020 1 1136 148 148 LEU HA H 4.332 0.020 1 1137 148 148 LEU HB2 H 1.443 0.020 2 1138 148 148 LEU HB3 H 1.333 0.020 2 1139 148 148 LEU HD1 H 0.653 0.020 2 1140 148 148 LEU HD2 H 0.782 0.020 2 1141 148 148 LEU HG H 1.310 0.020 1 1142 148 148 LEU CA C 56.583 0.400 1 1143 148 148 LEU CB C 42.788 0.400 1 1144 148 148 LEU CD1 C 25.698 0.400 1 1145 148 148 LEU CD2 C 23.986 0.400 1 1146 148 148 LEU CG C 27.304 0.400 1 1147 148 148 LEU N N 121.343 0.400 1 1148 149 149 CYS H H 8.102 0.020 1 1149 149 149 CYS HA H 4.486 0.020 1 1150 149 149 CYS HB2 H 2.529 0.020 2 1151 149 149 CYS HB3 H 2.529 0.020 2 1152 149 149 CYS CA C 55.077 0.400 1 1153 149 149 CYS CB C 32.474 0.400 1 1154 149 149 CYS N N 118.296 0.400 1 1155 150 150 GLY H H 8.422 0.020 1 1156 150 150 GLY HA2 H 3.957 0.020 2 1157 150 150 GLY HA3 H 3.957 0.020 2 1158 150 150 GLY CA C 45.234 0.400 1 1159 150 150 GLY N N 109.687 0.400 1 1160 151 151 SER H H 8.364 0.020 1 1161 151 151 SER HA H 4.157 0.020 1 1162 151 151 SER HB2 H 3.764 0.020 2 1163 151 151 SER HB3 H 3.764 0.020 2 1164 151 151 SER CA C 58.215 0.400 1 1165 151 151 SER CB C 64.142 0.400 1 1166 151 151 SER N N 117.700 0.400 1 1167 152 152 VAL H H 8.369 0.020 1 1168 152 152 VAL HA H 4.332 0.020 1 1169 152 152 VAL HB H 2.100 0.020 1 1170 152 152 VAL HG1 H 0.901 0.020 2 1171 152 152 VAL HG2 H 0.770 0.020 2 1172 152 152 VAL CA C 61.427 0.400 1 1173 152 152 VAL CB C 30.533 0.400 1 1174 152 152 VAL CG1 C 20.357 0.400 1 1175 152 152 VAL CG2 C 18.537 0.400 1 1176 152 152 VAL N N 118.806 0.400 1 1177 153 153 GLU H H 8.366 0.020 1 1178 153 153 GLU HA H 4.156 0.020 1 1179 153 153 GLU HB2 H 1.865 0.020 2 1180 153 153 GLU HB3 H 1.865 0.020 2 1181 153 153 GLU HG2 H 2.879 0.020 2 1182 153 153 GLU HG3 H 2.879 0.020 2 1183 153 153 GLU CA C 56.375 0.400 1 1184 153 153 GLU CB C 30.066 0.400 1 1185 153 153 GLU CG C 42.081 0.400 1 1186 153 153 GLU N N 118.032 0.400 1 1187 154 154 HIS H H 6.682 0.020 1 1188 154 154 HIS HA H 4.706 0.020 1 1189 154 154 HIS HB2 H 1.665 0.020 2 1190 154 154 HIS HB3 H 1.665 0.020 2 1191 154 154 HIS CA C 54.214 0.400 1 1192 154 154 HIS CB C 30.789 0.400 1 1193 154 154 HIS N N 110.680 0.400 1 1194 155 155 LEU H H 8.768 0.020 1 1195 155 155 LEU HA H 4.389 0.020 1 1196 155 155 LEU HB2 H 1.447 0.020 2 1197 155 155 LEU HB3 H 1.319 0.020 2 1198 155 155 LEU HD1 H 0.729 0.020 2 1199 155 155 LEU HD2 H 0.658 0.020 2 1200 155 155 LEU HG H 1.587 0.020 1 1201 155 155 LEU CA C 52.957 0.400 1 1202 155 155 LEU CB C 43.529 0.400 1 1203 155 155 LEU CD1 C 22.209 0.400 1 1204 155 155 LEU CD2 C 25.181 0.400 1 1205 155 155 LEU CG C 29.318 0.400 1 1206 155 155 LEU N N 118.530 0.400 1 1207 156 156 LYS H H 8.777 0.020 1 1208 156 156 LYS CA C 59.792 0.400 1 1209 156 156 LYS CB C 31.988 0.400 1 1210 156 156 LYS N N 122.269 0.400 1 1211 158 158 ASP H H 8.088 0.020 1 1212 158 158 ASP HA H 4.137 0.020 1 1213 158 158 ASP HB2 H 2.663 0.020 2 1214 158 158 ASP HB3 H 2.663 0.020 2 1215 158 158 ASP CA C 52.975 0.400 1 1216 158 158 ASP CB C 41.785 0.400 1 1217 158 158 ASP N N 118.249 0.400 1 1218 159 159 CYS H H 7.488 0.020 1 1219 159 159 CYS HA H 3.196 0.020 1 1220 159 159 CYS HB2 H 2.773 0.020 2 1221 159 159 CYS HB3 H 2.773 0.020 2 1222 159 159 CYS CA C 58.096 0.400 1 1223 159 159 CYS CB C 30.901 0.400 1 1224 159 159 CYS N N 125.741 0.400 1 1225 160 160 PRO CA C 63.927 0.400 1 1226 160 160 PRO CB C 31.544 0.400 1 1227 161 161 GLU H H 8.812 0.020 1 1228 161 161 GLU HA H 4.247 0.020 1 1229 161 161 GLU HB2 H 2.091 0.020 2 1230 161 161 GLU HB3 H 2.091 0.020 2 1231 161 161 GLU HG2 H 2.338 0.020 2 1232 161 161 GLU HG3 H 2.338 0.020 2 1233 161 161 GLU CA C 56.162 0.400 1 1234 161 161 GLU CB C 28.437 0.400 1 1235 161 161 GLU CG C 36.508 0.400 1 1236 161 161 GLU N N 119.198 0.400 1 1237 162 162 SER H H 7.659 0.020 1 1238 162 162 SER HA H 4.151 0.020 1 1239 162 162 SER HB2 H 3.819 0.020 2 1240 162 162 SER HB3 H 3.819 0.020 2 1241 162 162 SER CA C 58.944 0.400 1 1242 162 162 SER CB C 63.386 0.400 1 1243 162 162 SER N N 114.531 0.400 1 1244 163 163 GLN CA C 52.972 0.400 1 1245 163 163 GLN CB C 30.212 0.400 1 1246 164 164 ASN H H 8.353 0.020 1 1247 164 164 ASN HA H 5.007 0.020 1 1248 164 164 ASN CA C 55.559 0.400 1 1249 164 164 ASN CB C 39.944 0.400 1 1250 164 164 ASN N N 114.569 0.400 1 stop_ save_