data_19321 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,15N,13C resonance assignments of cerato populin, a fungal PAMP from Ceratocystis populicola ; _BMRB_accession_number 19321 _BMRB_flat_file_name bmr19321.str _Entry_type original _Submission_date 2013-06-26 _Accession_date 2013-06-26 _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 Baroni Fabio . . 2 Pazzagli Luigia . . 3 Cappugi Gianni . . 4 Scala Aniello . . 5 Martellini Federica . . 6 Fadel Valmir . . 7 Franzoni Lorella . . 8 Spisni Alberto . . 9 Pertinhez Thelma . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 704 "13C chemical shifts" 528 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-18 original author . stop_ _Original_release_date 2013-09-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'New protein orthologous to cerato-platanin in various Ceratocystis species and the purification and characterization of cerato-populin from Ceratocystis populicola' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19387635 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Comparini Cecilia . . 2 Carresi Lara . . 3 Pagni Eleonora . . 4 Sbrana Francesca . . 5 Sebastiani Federico . . 6 Luchi Nicola . . 7 Santini Alberto . . 8 Capretti Paolo . . 9 Tiribilli Bruno . . 10 Pazzagli Luigia . . 11 Cappugi Gianni . . 12 Scala Aniello . . stop_ _Journal_abbreviation 'Appl. Microbiol. Biotechnol.' _Journal_volume 84 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 309 _Page_last 322 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cerato populin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cerato populin' $cerato_populin 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_cerato_populin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cerato_populin _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; EAEAVSISYDPVYGNPGQSM NTVACSNGKFGLAAKYPTLG DLPAFPNVGGIPDIPDWNND QNCGTCWKVTVPNRNPIFIL GVDSGKGNFNVSPQAFTELT GSTDAGRVNDIQYEKVSADN CKMPVA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLU 2 2 ALA 3 3 GLU 4 4 ALA 5 5 VAL 6 6 SER 7 7 ILE 8 8 SER 9 9 TYR 10 10 ASP 11 11 PRO 12 12 VAL 13 13 TYR 14 14 GLY 15 15 ASN 16 16 PRO 17 17 GLY 18 18 GLN 19 19 SER 20 20 MET 21 21 ASN 22 22 THR 23 23 VAL 24 24 ALA 25 25 CYS 26 26 SER 27 27 ASN 28 28 GLY 29 29 LYS 30 30 PHE 31 31 GLY 32 32 LEU 33 33 ALA 34 34 ALA 35 35 LYS 36 36 TYR 37 37 PRO 38 38 THR 39 39 LEU 40 40 GLY 41 41 ASP 42 42 LEU 43 43 PRO 44 44 ALA 45 45 PHE 46 46 PRO 47 47 ASN 48 48 VAL 49 49 GLY 50 50 GLY 51 51 ILE 52 52 PRO 53 53 ASP 54 54 ILE 55 55 PRO 56 56 ASP 57 57 TRP 58 58 ASN 59 59 ASN 60 60 ASP 61 61 GLN 62 62 ASN 63 63 CYS 64 64 GLY 65 65 THR 66 66 CYS 67 67 TRP 68 68 LYS 69 69 VAL 70 70 THR 71 71 VAL 72 72 PRO 73 73 ASN 74 74 ARG 75 75 ASN 76 76 PRO 77 77 ILE 78 78 PHE 79 79 ILE 80 80 LEU 81 81 GLY 82 82 VAL 83 83 ASP 84 84 SER 85 85 GLY 86 86 LYS 87 87 GLY 88 88 ASN 89 89 PHE 90 90 ASN 91 91 VAL 92 92 SER 93 93 PRO 94 94 GLN 95 95 ALA 96 96 PHE 97 97 THR 98 98 GLU 99 99 LEU 100 100 THR 101 101 GLY 102 102 SER 103 103 THR 104 104 ASP 105 105 ALA 106 106 GLY 107 107 ARG 108 108 VAL 109 109 ASN 110 110 ASP 111 111 ILE 112 112 GLN 113 113 TYR 114 114 GLU 115 115 LYS 116 116 VAL 117 117 SER 118 118 ALA 119 119 ASP 120 120 ASN 121 121 CYS 122 122 LYS 123 123 MET 124 124 PRO 125 125 VAL 126 126 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB ABM63506 "cerato-populin [Ceratocystis harringtonii]" 100.00 136 98.41 98.41 3.04e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cerato_populin Ascomycetes 312341 Eukaryota Fungi Ceratocystis populicola 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 $cerato_populin 'recombinant technology' . Pichia pastoris . pPIC9 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 $cerato_populin 280 uM '[U-13C; U-15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NH2_only_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 pH 3 . pH 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-COSY' '3D HCCH-TOCSY' 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 'cerato populin' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLU HA H 4.073 0.02 1 2 1 1 GLU HB2 H 2.534 0.02 2 3 1 1 GLU HB3 H 2.17 0.02 2 4 1 1 GLU HG2 H 2.406 0.02 2 5 1 1 GLU HG3 H 2.287 0.02 2 6 1 1 GLU C C 170.303 0.2 1 7 1 1 GLU CA C 52.598 0.2 1 8 1 1 GLU CB C 26.386 0.2 1 9 1 1 GLU CG C 30.594 0.2 1 10 2 2 ALA H H 8.79 0.02 1 11 2 2 ALA HA H 4.377 0.02 1 12 2 2 ALA HB H 1.437 0.02 1 13 2 2 ALA C C 175.472 0.2 1 14 2 2 ALA CA C 49.992 0.2 1 15 2 2 ALA CB C 16.678 0.2 1 16 2 2 ALA N N 127.11 0.1 1 17 3 3 GLU H H 8.48 0.02 1 18 3 3 GLU HA H 4.385 0.02 1 19 3 3 GLU HB2 H 2.129 0.02 2 20 3 3 GLU HB3 H 1.998 0.02 2 21 3 3 GLU HG2 H 2.509 0.02 2 22 3 3 GLU HG3 H 2.333 0.02 2 23 3 3 GLU C C 173.895 0.2 1 24 3 3 GLU CA C 53.101 0.2 1 25 3 3 GLU CB C 26.427 0.2 1 26 3 3 GLU CG C 30.801 0.2 1 27 3 3 GLU N N 120.601 0.1 1 28 4 4 ALA H H 8.466 0.02 1 29 4 4 ALA HA H 4.485 0.02 1 30 4 4 ALA HB H 1.448 0.02 1 31 4 4 ALA C C 175.325 0.2 1 32 4 4 ALA CA C 49.772 0.2 1 33 4 4 ALA CB C 16.934 0.2 1 34 4 4 ALA N N 126.59 0.1 1 35 5 5 VAL H H 8.549 0.02 1 36 5 5 VAL HA H 4.334 0.02 1 37 5 5 VAL HB H 2.138 0.02 1 38 5 5 VAL HG1 H 0.969 0.02 2 39 5 5 VAL HG2 H 1.073 0.02 2 40 5 5 VAL C C 173.616 0.2 1 41 5 5 VAL CA C 60.056 0.2 1 42 5 5 VAL CB C 31.012 0.2 1 43 5 5 VAL CG1 C 19.408 0.2 2 44 5 5 VAL CG2 C 19.408 0.2 2 45 5 5 VAL N N 123.149 0.1 1 46 6 6 SER H H 8.653 0.02 1 47 6 6 SER HA H 5.327 0.02 1 48 6 6 SER HB2 H 3.916 0.02 2 49 6 6 SER HB3 H 3.772 0.02 2 50 6 6 SER C C 171.205 0.2 1 51 6 6 SER CA C 53.711 0.2 1 52 6 6 SER CB C 64.552 0.2 1 53 6 6 SER N N 119.668 0.1 1 54 7 7 ILE H H 8.863 0.02 1 55 7 7 ILE HA H 5.732 0.02 1 56 7 7 ILE HB H 1.437 0.02 1 57 7 7 ILE HG12 H 1.362 0.02 2 58 7 7 ILE HG13 H 1.173 0.02 2 59 7 7 ILE HG2 H 0.976 0.02 1 60 7 7 ILE HD1 H 0.643 0.02 1 61 7 7 ILE C C 170.819 0.2 1 62 7 7 ILE CA C 55.979 0.2 1 63 7 7 ILE CB C 39.702 0.2 1 64 7 7 ILE CG1 C 27.668 0.2 1 65 7 7 ILE CG2 C 20.42 0.2 1 66 7 7 ILE CD1 C 12.372 0.2 1 67 7 7 ILE N N 116.618 0.1 1 68 8 8 SER H H 8.188 0.02 1 69 8 8 SER HA H 4.822 0.02 1 70 8 8 SER HB2 H 3.839 0.02 2 71 8 8 SER HB3 H 3.706 0.02 2 72 8 8 SER C C 170.744 0.2 1 73 8 8 SER CA C 54.059 0.2 1 74 8 8 SER CB C 62.768 0.2 1 75 8 8 SER N N 121.213 0.1 1 76 9 9 TYR H H 7.825 0.02 1 77 9 9 TYR HA H 5.782 0.02 1 78 9 9 TYR HB2 H 2.513 0.02 2 79 9 9 TYR HB3 H 2.252 0.02 2 80 9 9 TYR HD1 H 6.036 0.02 3 81 9 9 TYR HD2 H 6.036 0.02 3 82 9 9 TYR HE1 H 6.667 0.02 3 83 9 9 TYR HE2 H 6.667 0.02 3 84 9 9 TYR C C 172.558 0.2 1 85 9 9 TYR CA C 52.777 0.2 1 86 9 9 TYR CB C 39.228 0.2 1 87 9 9 TYR CD1 C 132.621 0.2 3 88 9 9 TYR CD2 C 132.621 0.2 3 89 9 9 TYR CE1 C 118.413 0.2 3 90 9 9 TYR CE2 C 118.413 0.2 3 91 9 9 TYR N N 117.013 0.1 1 92 10 10 ASP H H 8.619 0.02 1 93 10 10 ASP HA H 5.083 0.02 1 94 10 10 ASP HB2 H 2.906 0.02 2 95 10 10 ASP HB3 H 2.803 0.02 2 96 10 10 ASP CA C 47.432 0.2 1 97 10 10 ASP CB C 39.928 0.2 1 98 10 10 ASP N N 118.578 0.1 1 99 11 11 PRO HA H 4.135 0.02 1 100 11 11 PRO HB2 H 2.522 0.02 2 101 11 11 PRO HB3 H 2.081 0.02 2 102 11 11 PRO HG2 H 2.284 0.02 2 103 11 11 PRO HG3 H 2.156 0.02 2 104 11 11 PRO HD2 H 3.483 0.02 2 105 11 11 PRO HD3 H 3.466 0.02 2 106 11 11 PRO C C 176.724 0.2 1 107 11 11 PRO CA C 62.367 0.2 1 108 11 11 PRO CB C 28.326 0.2 1 109 11 11 PRO CG C 25.645 0.2 1 110 11 11 PRO CD C 48.394 0.2 1 111 12 12 VAL H H 7.884 0.02 1 112 12 12 VAL HA H 3.797 0.02 1 113 12 12 VAL HB H 1.483 0.02 1 114 12 12 VAL HG1 H 0.407 0.02 2 115 12 12 VAL HG2 H 0.466 0.02 2 116 12 12 VAL C C 174.848 0.2 1 117 12 12 VAL CA C 63.086 0.2 1 118 12 12 VAL CB C 28.364 0.2 1 119 12 12 VAL CG1 C 17.286 0.2 2 120 12 12 VAL CG2 C 17.286 0.2 2 121 12 12 VAL N N 117.582 0.1 1 122 13 13 TYR H H 6.568 0.02 1 123 13 13 TYR HA H 4.397 0.02 1 124 13 13 TYR HB2 H 2.51 0.02 2 125 13 13 TYR HB3 H 2.015 0.02 2 126 13 13 TYR HD1 H 7.098 0.02 3 127 13 13 TYR HD2 H 7.098 0.02 3 128 13 13 TYR HE1 H 6.8564 0.02 3 129 13 13 TYR HE2 H 6.8564 0.02 3 130 13 13 TYR C C 171.976 0.2 1 131 13 13 TYR CA C 55.818 0.2 1 132 13 13 TYR CB C 35.661 0.2 1 133 13 13 TYR CD1 C 133.379 0.2 3 134 13 13 TYR CD2 C 133.379 0.2 3 135 13 13 TYR CE1 C 118.758 0.2 3 136 13 13 TYR CE2 C 118.758 0.2 3 137 13 13 TYR N N 112.828 0.1 1 138 14 14 GLY H H 7.652 0.02 1 139 14 14 GLY HA2 H 4.703 0.02 2 140 14 14 GLY HA3 H 4.154 0.02 2 141 14 14 GLY C C 172.244 0.2 1 142 14 14 GLY CA C 42.717 0.2 1 143 14 14 GLY N N 99.381 0.1 1 144 15 15 ASN H H 7.188 0.02 1 145 15 15 ASN HA H 5.343 0.02 1 146 15 15 ASN HB2 H 3.379 0.02 2 147 15 15 ASN HB3 H 2.955 0.02 2 148 15 15 ASN HD21 H 7.548 0.02 2 149 15 15 ASN HD22 H 6.877 0.02 2 150 15 15 ASN CA C 46.494 0.2 1 151 15 15 ASN CB C 36.555 0.2 1 152 15 15 ASN CG C 177.687 0.2 1 153 15 15 ASN N N 119.989 0.1 1 154 15 15 ASN ND2 N 112.578 0.1 1 155 16 16 PRO HA H 3.201 0.02 1 156 16 16 PRO HB2 H 1.707 0.02 2 157 16 16 PRO HB3 H 1.657 0.02 2 158 16 16 PRO HG2 H 2.131 0.02 2 159 16 16 PRO HG3 H 1.998 0.02 2 160 16 16 PRO HD2 H 4.2 0.02 2 161 16 16 PRO HD3 H 4.062 0.02 2 162 16 16 PRO C C 175.786 0.2 1 163 16 16 PRO CA C 61.051 0.2 1 164 16 16 PRO CB C 28.883 0.2 1 165 16 16 PRO CG C 26.599 0.2 1 166 16 16 PRO CD C 52.188 0.2 1 167 17 17 GLY H H 7.605 0.02 1 168 17 17 GLY HA2 H 4.037 0.02 2 169 17 17 GLY HA3 H 3.558 0.02 2 170 17 17 GLY C C 171.962 0.2 1 171 17 17 GLY CA C 42.019 0.2 1 172 17 17 GLY N N 103.574 0.1 1 173 18 18 GLN H H 7.42 0.02 1 174 18 18 GLN HA H 3.856 0.02 1 175 18 18 GLN HB2 H 2.503 0.02 2 176 18 18 GLN HB3 H 1.983 0.02 2 177 18 18 GLN HG2 H 2.347 0.02 2 178 18 18 GLN HG3 H 2.119 0.02 2 179 18 18 GLN HE21 H 7.745 0.02 2 180 18 18 GLN HE22 H 7.146 0.02 2 181 18 18 GLN C C 174.276 0.2 1 182 18 18 GLN CA C 53.132 0.2 1 183 18 18 GLN CB C 25.445 0.2 1 184 18 18 GLN CG C 29.884 0.2 1 185 18 18 GLN N N 122.559 0.1 1 186 18 18 GLN NE2 N 112.59 0.1 1 187 19 19 SER H H 8.914 0.02 1 188 19 19 SER HA H 4.402 0.02 1 189 19 19 SER HB2 H 4.209 0.02 2 190 19 19 SER HB3 H 3.857 0.02 2 191 19 19 SER C C 175.634 0.2 1 192 19 19 SER CA C 56.29 0.2 1 193 19 19 SER CB C 60.798 0.2 1 194 19 19 SER N N 121.591 0.1 1 195 20 20 MET H H 8.976 0.02 1 196 20 20 MET HA H 4.432 0.02 1 197 20 20 MET HB2 H 2.098 0.02 2 198 20 20 MET HB3 H 1.938 0.02 2 199 20 20 MET HG2 H 2.528 0.02 2 200 20 20 MET HG3 H 2.305 0.02 2 201 20 20 MET HE H 2.009 0.02 1 202 20 20 MET C C 174.27 0.2 1 203 20 20 MET CA C 52.334 0.2 1 204 20 20 MET CB C 29.527 0.2 1 205 20 20 MET CG C 29.546 0.2 1 206 20 20 MET CE C 15.074 0.2 1 207 20 20 MET N N 131.057 0.1 1 208 21 21 ASN H H 8.474 0.02 1 209 21 21 ASN HA H 4.673 0.02 1 210 21 21 ASN HB2 H 2.899 0.02 2 211 21 21 ASN HB3 H 2.741 0.02 2 212 21 21 ASN HD21 H 7.46 0.02 2 213 21 21 ASN HD22 H 6.863 0.02 2 214 21 21 ASN C C 174.849 0.2 1 215 21 21 ASN CA C 52.239 0.2 1 216 21 21 ASN CB C 35.625 0.2 1 217 21 21 ASN CG C 178.736 0.2 1 218 21 21 ASN N N 113.12 0.1 1 219 21 21 ASN ND2 N 111.253 0.1 1 220 22 22 THR H H 7.51 0.02 1 221 22 22 THR HA H 4.567 0.02 1 222 22 22 THR HB H 4.47 0.02 1 223 22 22 THR HG2 H 1.268 0.02 1 224 22 22 THR C C 172.639 0.2 1 225 22 22 THR CA C 59.719 0.2 1 226 22 22 THR CB C 67.026 0.2 1 227 22 22 THR CG2 C 19.202 0.2 1 228 22 22 THR N N 106.573 0.1 1 229 23 23 VAL H H 7.022 0.02 1 230 23 23 VAL HA H 4.728 0.02 1 231 23 23 VAL HB H 1.897 0.02 1 232 23 23 VAL HG1 H 0.863 0.02 2 233 23 23 VAL HG2 H 0.967 0.02 2 234 23 23 VAL C C 174.946 0.2 1 235 23 23 VAL CA C 56.725 0.2 1 236 23 23 VAL CB C 32.389 0.2 1 237 23 23 VAL CG1 C 18.428 0.2 2 238 23 23 VAL CG2 C 18.428 0.2 2 239 23 23 VAL N N 112.167 0.1 1 240 24 24 ALA H H 8.744 0.02 1 241 24 24 ALA HA H 4.235 0.02 1 242 24 24 ALA HB H 1.525 0.02 1 243 24 24 ALA C C 178.014 0.2 1 244 24 24 ALA CA C 52.32 0.2 1 245 24 24 ALA CB C 16.396 0.2 1 246 24 24 ALA N N 120.08 0.1 1 247 25 25 CYS H H 6.959 0.02 1 248 25 25 CYS HA H 5.049 0.02 1 249 25 25 CYS HB2 H 3.279 0.02 2 250 25 25 CYS HB3 H 3.135 0.02 2 251 25 25 CYS C C 173.01 0.2 1 252 25 25 CYS CA C 50.923 0.2 1 253 25 25 CYS CB C 34.986 0.2 1 254 25 25 CYS N N 112.481 0.1 1 255 26 26 SER H H 8.037 0.02 1 256 26 26 SER HA H 4.346 0.02 1 257 26 26 SER HB2 H 4.18 0.02 2 258 26 26 SER HB3 H 3.104 0.02 2 259 26 26 SER C C 172.667 0.2 1 260 26 26 SER CA C 55.907 0.2 1 261 26 26 SER CB C 60.359 0.2 1 262 26 26 SER N N 116.392 0.1 1 263 27 27 ASN H H 8.648 0.02 1 264 27 27 ASN HA H 4.995 0.02 1 265 27 27 ASN HB2 H 2.945 0.02 2 266 27 27 ASN HB3 H 2.836 0.02 2 267 27 27 ASN HD21 H 7.671 0.02 2 268 27 27 ASN HD22 H 7.018 0.02 2 269 27 27 ASN C C 173.327 0.2 1 270 27 27 ASN CA C 49.655 0.2 1 271 27 27 ASN CB C 37.874 0.2 1 272 27 27 ASN CG C 173.551 0.2 1 273 27 27 ASN N N 120.075 0.1 1 274 27 27 ASN ND2 N 113.125 0.1 1 275 28 28 GLY H H 8.48 0.02 1 276 28 28 GLY HA2 H 4.336 0.02 2 277 28 28 GLY HA3 H 3.475 0.02 2 278 28 28 GLY C C 173.607 0.2 1 279 28 28 GLY CA C 42.012 0.2 1 280 28 28 GLY N N 106.703 0.1 1 281 29 29 LYS H H 8.65 0.02 1 282 29 29 LYS HA H 3.818 0.02 1 283 29 29 LYS HB2 H 1.521 0.02 2 284 29 29 LYS HB3 H 1.185 0.02 2 285 29 29 LYS HG2 H 0.822 0.02 2 286 29 29 LYS HG3 H 0.579 0.02 2 287 29 29 LYS HD2 H 1.665 0.02 2 288 29 29 LYS HD3 H 1.41 0.02 2 289 29 29 LYS HE2 H 2.974 0.02 2 290 29 29 LYS HE3 H 2.797 0.02 2 291 29 29 LYS C C 176.011 0.2 1 292 29 29 LYS CA C 56.65 0.2 1 293 29 29 LYS CB C 29.747 0.2 1 294 29 29 LYS CG C 21.675 0.2 1 295 29 29 LYS CD C 26.579 0.2 1 296 29 29 LYS CE C 39.698 0.2 1 297 29 29 LYS N N 121.628 0.1 1 298 30 30 PHE H H 8.728 0.02 1 299 30 30 PHE HA H 4.656 0.02 1 300 30 30 PHE HB2 H 3.391 0.02 2 301 30 30 PHE HB3 H 2.574 0.02 2 302 30 30 PHE HD1 H 6.791 0.02 3 303 30 30 PHE HD2 H 6.791 0.02 3 304 30 30 PHE HE1 H 7.106 0.02 3 305 30 30 PHE HE2 H 7.106 0.02 3 306 30 30 PHE HZ H 6.941 0.02 1 307 30 30 PHE C C 173.755 0.2 1 308 30 30 PHE CA C 54.136 0.2 1 309 30 30 PHE CB C 36.045 0.2 1 310 30 30 PHE CD1 C 131.631 0.2 3 311 30 30 PHE CD2 C 131.631 0.2 3 312 30 30 PHE CE1 C 130.061 0.2 3 313 30 30 PHE CE2 C 130.061 0.2 3 314 30 30 PHE CZ C 131.632 0.2 1 315 30 30 PHE N N 116.724 0.1 1 316 31 31 GLY H H 7.358 0.02 1 317 31 31 GLY HA2 H 3.649 0.02 2 318 31 31 GLY HA3 H 3.499 0.02 2 319 31 31 GLY C C 172.753 0.2 1 320 31 31 GLY CA C 43.352 0.2 1 321 31 31 GLY N N 105.287 0.1 1 322 32 32 LEU H H 8.197 0.02 1 323 32 32 LEU HA H 4.708 0.02 1 324 32 32 LEU HB2 H 1.645 0.02 2 325 32 32 LEU HB3 H 1.55 0.02 2 326 32 32 LEU HG H 1.53 0.02 1 327 32 32 LEU HD1 H 0.94 0.02 2 328 32 32 LEU HD2 H 0.869 0.02 2 329 32 32 LEU C C 175.689 0.2 1 330 32 32 LEU CA C 52.495 0.2 1 331 32 32 LEU CB C 41.73 0.2 1 332 32 32 LEU CG C 27.376 0.2 1 333 32 32 LEU CD1 C 22.159 0.2 2 334 32 32 LEU CD2 C 20.42 0.2 2 335 32 32 LEU N N 118.514 0.1 1 336 33 33 ALA H H 8.392 0.02 1 337 33 33 ALA HA H 4.061 0.02 1 338 33 33 ALA HB H 1.205 0.02 1 339 33 33 ALA C C 176.528 0.2 1 340 33 33 ALA CA C 52.168 0.2 1 341 33 33 ALA CB C 16.257 0.2 1 342 33 33 ALA N N 120.968 0.1 1 343 34 34 ALA H H 8.336 0.02 1 344 34 34 ALA HA H 4.0 0.02 1 345 34 34 ALA HB H 1.367 0.02 1 346 34 34 ALA C C 177.465 0.2 1 347 34 34 ALA CA C 51.967 0.2 1 348 34 34 ALA CB C 15.141 0.2 1 349 34 34 ALA N N 118.462 0.1 1 350 35 35 LYS H H 7.32 0.02 1 351 35 35 LYS HA H 3.989 0.02 1 352 35 35 LYS HB2 H 1.179 0.02 2 353 35 35 LYS HB3 H 1.063 0.02 2 354 35 35 LYS HG2 H 0.857 0.02 2 355 35 35 LYS HG3 H 0.818 0.02 2 356 35 35 LYS HD2 H 1.609 0.02 2 357 35 35 LYS HD3 H 1.464 0.02 2 358 35 35 LYS HE2 H 2.89 0.02 2 359 35 35 LYS HE3 H 2.89 0.02 2 360 35 35 LYS C C 172.735 0.2 1 361 35 35 LYS CA C 54.425 0.2 1 362 35 35 LYS CB C 31.891 0.2 1 363 35 35 LYS CG C 22.4 0.2 1 364 35 35 LYS CD C 26.521 0.2 1 365 35 35 LYS CE C 39.55 0.2 1 366 35 35 LYS N N 115.752 0.1 1 367 36 36 TYR H H 8.301 0.02 1 368 36 36 TYR HA H 4.685 0.02 1 369 36 36 TYR HB2 H 3.029 0.02 2 370 36 36 TYR HB3 H 2.791 0.02 2 371 36 36 TYR HD1 H 6.036 0.02 3 372 36 36 TYR HD2 H 6.036 0.02 3 373 36 36 TYR HE1 H 6.666 0.02 3 374 36 36 TYR HE2 H 6.666 0.02 3 375 36 36 TYR CA C 51.02 0.2 1 376 36 36 TYR CB C 36.364 0.2 1 377 36 36 TYR CD1 C 132.618 0.2 3 378 36 36 TYR CD2 C 132.618 0.2 3 379 36 36 TYR CE1 C 118.413 0.2 3 380 36 36 TYR CE2 C 118.413 0.2 3 381 36 36 TYR N N 117.382 0.1 1 382 37 37 PRO HA H 4.457 0.02 1 383 37 37 PRO HB2 H 2.306 0.02 2 384 37 37 PRO HB3 H 1.953 0.02 2 385 37 37 PRO HG2 H 2.532 0.02 2 386 37 37 PRO HG3 H 2.453 0.02 2 387 37 37 PRO HD2 H 4.101 0.02 2 388 37 37 PRO HD3 H 3.816 0.02 2 389 37 37 PRO C C 177.17 0.2 1 390 37 37 PRO CA C 62.948 0.2 1 391 37 37 PRO CB C 30.122 0.2 1 392 37 37 PRO CG C 26.088 0.2 1 393 37 37 PRO CD C 51.973 0.2 1 394 38 38 THR H H 7.749 0.02 1 395 38 38 THR HA H 5.206 0.02 1 396 38 38 THR HB H 4.304 0.02 1 397 38 38 THR HG2 H 1.007 0.02 1 398 38 38 THR C C 173.698 0.2 1 399 38 38 THR CA C 56.293 0.2 1 400 38 38 THR CB C 69.889 0.2 1 401 38 38 THR CG2 C 19.596 0.2 1 402 38 38 THR N N 106.752 0.1 1 403 39 39 LEU H H 8.585 0.02 1 404 39 39 LEU HA H 3.977 0.02 1 405 39 39 LEU HB2 H 1.902 0.02 2 406 39 39 LEU HB3 H 1.534 0.02 2 407 39 39 LEU HG H 1.193 0.02 1 408 39 39 LEU HD1 H 0.592 0.02 2 409 39 39 LEU HD2 H 0.592 0.02 2 410 39 39 LEU C C 176.808 0.2 1 411 39 39 LEU CA C 55.579 0.2 1 412 39 39 LEU CB C 38.76 0.2 1 413 39 39 LEU CG C 26.603 0.2 1 414 39 39 LEU CD1 C 21.701 0.2 2 415 39 39 LEU CD2 C 21.701 0.2 2 416 39 39 LEU N N 118.096 0.1 1 417 40 40 GLY H H 8.574 0.02 1 418 40 40 GLY HA2 H 3.117 0.02 2 419 40 40 GLY HA3 H 3.109 0.02 2 420 40 40 GLY C C 172.637 0.2 1 421 40 40 GLY CA C 42.576 0.2 1 422 40 40 GLY N N 103.229 0.1 1 423 41 41 ASP H H 7.42 0.02 1 424 41 41 ASP HA H 4.6 0.02 1 425 41 41 ASP HB2 H 3.463 0.02 2 426 41 41 ASP HB3 H 3.225 0.02 2 427 41 41 ASP C C 175.106 0.2 1 428 41 41 ASP CA C 52.165 0.2 1 429 41 41 ASP CB C 37.529 0.2 1 430 41 41 ASP N N 116.653 0.1 1 431 42 42 LEU H H 7.825 0.02 1 432 42 42 LEU HA H 3.967 0.02 1 433 42 42 LEU HB2 H 2.315 0.02 2 434 42 42 LEU HB3 H 2.315 0.02 2 435 42 42 LEU HG H 1.59 0.02 1 436 42 42 LEU HD1 H 1.077 0.02 2 437 42 42 LEU HD2 H 0.811 0.02 2 438 42 42 LEU CA C 50.393 0.2 1 439 42 42 LEU CB C 40.908 0.2 1 440 42 42 LEU CG C 23.144 0.2 1 441 42 42 LEU CD1 C 20.675 0.2 2 442 42 42 LEU CD2 C 19.322 0.2 2 443 42 42 LEU N N 120.567 0.1 1 444 43 43 PRO HA H 4.25 0.02 1 445 43 43 PRO HB2 H 1.405 0.02 2 446 43 43 PRO HB3 H 1.276 0.02 2 447 43 43 PRO C C 172.618 0.2 1 448 43 43 PRO CA C 59.663 0.2 1 449 43 43 PRO CB C 29.985 0.2 1 450 44 44 ALA H H 8.222 0.02 1 451 44 44 ALA HA H 4.283 0.02 1 452 44 44 ALA HB H 1.427 0.02 1 453 44 44 ALA C C 172.549 0.2 1 454 44 44 ALA CA C 49.94 0.2 1 455 44 44 ALA CB C 16.802 0.2 1 456 44 44 ALA N N 126.244 0.1 1 457 45 45 PHE H H 8.179 0.02 1 458 45 45 PHE HA H 4.354 0.02 1 459 45 45 PHE HB2 H 2.126 0.02 2 460 45 45 PHE HB3 H 1.998 0.02 2 461 45 45 PHE HD1 H 6.792 0.02 3 462 45 45 PHE HD2 H 6.792 0.02 3 463 45 45 PHE HE1 H 7.268 0.02 3 464 45 45 PHE HE2 H 7.268 0.02 3 465 45 45 PHE HZ H 7.157 0.02 1 466 45 45 PHE CA C 53.359 0.2 1 467 45 45 PHE CB C 26.348 0.2 1 468 45 45 PHE CD1 C 131.634 0.2 3 469 45 45 PHE CD2 C 131.634 0.2 3 470 45 45 PHE CE1 C 132.13 0.2 3 471 45 45 PHE CE2 C 132.13 0.2 3 472 45 45 PHE CZ C 133.675 0.2 1 473 45 45 PHE N N 119.417 0.1 1 474 46 46 PRO HA H 3.002 0.02 1 475 46 46 PRO HB2 H 1.809 0.02 2 476 46 46 PRO HB3 H 1.053 0.02 2 477 46 46 PRO HG2 H 1.717 0.02 2 478 46 46 PRO HG3 H 1.370 0.02 2 479 46 46 PRO HD2 H 3.410 0.02 2 480 46 46 PRO HD3 H 3.350 0.02 2 481 46 46 PRO C C 173.928 0.2 1 482 46 46 PRO CA C 60.924 0.2 1 483 46 46 PRO CB C 30.406 0.2 1 484 46 46 PRO CG C 28.299 0.2 1 485 46 46 PRO CD C 47.078 0.2 1 486 47 47 ASN H H 9.429 0.02 1 487 47 47 ASN HA H 4.768 0.02 1 488 47 47 ASN HB2 H 3.528 0.02 2 489 47 47 ASN HB3 H 3.448 0.02 2 490 47 47 ASN HD21 H 7.51 0.02 2 491 47 47 ASN HD22 H 6.913 0.02 2 492 47 47 ASN C C 172.385 0.2 1 493 47 47 ASN CA C 50.509 0.2 1 494 47 47 ASN CB C 32.902 0.2 1 495 47 47 ASN CG C 175.422 0.2 1 496 47 47 ASN N N 136.295 0.1 1 497 47 47 ASN ND2 N 110.48 0.1 1 498 48 48 VAL H H 8.009 0.02 1 499 48 48 VAL HA H 5.551 0.02 1 500 48 48 VAL HB H 2.244 0.02 1 501 48 48 VAL HG1 H 0.908 0.02 2 502 48 48 VAL HG2 H 0.979 0.02 2 503 48 48 VAL C C 172.272 0.2 1 504 48 48 VAL CA C 55.117 0.2 1 505 48 48 VAL CB C 33.258 0.2 1 506 48 48 VAL CG1 C 19.86 0.2 2 507 48 48 VAL CG2 C 19.86 0.2 2 508 48 48 VAL N N 113.553 0.1 1 509 49 49 GLY H H 7.654 0.02 1 510 49 49 GLY HA2 H 4.735 0.02 2 511 49 49 GLY HA3 H 4.164 0.02 2 512 49 49 GLY C C 170.921 0.2 1 513 49 49 GLY CA C 42.929 0.2 1 514 49 49 GLY N N 101.142 0.1 1 515 50 50 GLY H H 9.1 0.02 1 516 50 50 GLY HA2 H 4.3 0.02 2 517 50 50 GLY HA3 H 3.037 0.02 2 518 50 50 GLY C C 171.377 0.2 1 519 50 50 GLY CA C 41.648 0.2 1 520 50 50 GLY N N 108.24 0.1 1 521 51 51 ILE H H 7.263 0.02 1 522 51 51 ILE HA H 3.745 0.02 1 523 51 51 ILE HB H 1.876 0.02 1 524 51 51 ILE HG12 H 1.033 0.02 2 525 51 51 ILE CA C 55.114 0.2 1 526 51 51 ILE CB C 34.599 0.2 1 527 51 51 ILE CG1 C 25.637 0.2 1 528 51 51 ILE N N 111.814 0.1 1 529 52 52 PRO HA H 4.767 0.02 1 530 52 52 PRO HB2 H 2.822 0.02 2 531 52 52 PRO HB3 H 2.713 0.02 2 532 52 52 PRO HG3 H 2.946 0.02 2 533 52 52 PRO HD2 H 4.251 0.02 2 534 52 52 PRO HD3 H 4.251 0.02 2 535 52 52 PRO C C 173.353 0.2 1 536 52 52 PRO CA C 59.818 0.2 1 537 52 52 PRO CB C 30.232 0.2 1 538 52 52 PRO CG C 26.507 0.2 1 539 52 52 PRO CD C 48.467 0.2 1 540 53 53 ASP H H 8.409 0.02 1 541 53 53 ASP HA H 4.696 0.02 1 542 53 53 ASP HB2 H 3.036 0.02 2 543 53 53 ASP HB3 H 2.79 0.02 2 544 53 53 ASP C C 174.53 0.2 1 545 53 53 ASP CA C 50.808 0.2 1 546 53 53 ASP CB C 35.966 0.2 1 547 53 53 ASP N N 119.369 0.1 1 548 54 54 ILE H H 8.28 0.02 1 549 54 54 ILE HA H 4.34 0.02 1 550 54 54 ILE HB H 1.77 0.02 1 551 54 54 ILE HG12 H 1.39 0.02 2 552 54 54 ILE HG13 H 1.037 0.02 2 553 54 54 ILE HG2 H 0.752 0.02 1 554 54 54 ILE HD1 H 0.646 0.02 1 555 54 54 ILE CA C 53.61 0.2 1 556 54 54 ILE CB C 26.107 0.2 1 557 54 54 ILE CG1 C 29.969 0.2 1 558 54 54 ILE CG2 C 12.509 0.2 1 559 54 54 ILE CD1 C 22.266 0.2 1 560 54 54 ILE N N 120.772 0.1 1 561 55 55 PRO HA H 4.399 0.02 1 562 55 55 PRO HB2 H 2.470 0.02 2 563 55 55 PRO HB3 H 2.064 0.02 2 564 55 55 PRO HG2 H 2.298 0.02 2 565 55 55 PRO HG3 H 1.940 0.02 2 566 55 55 PRO HD2 H 3.900 0.02 2 567 55 55 PRO HD3 H 3.717 0.02 2 568 55 55 PRO C C 174.313 0.2 1 569 55 55 PRO CA C 61.828 0.2 1 570 55 55 PRO CB C 29.712 0.2 1 571 55 55 PRO CG C 25.907 0.2 1 572 55 55 PRO CD C 47.572 0.2 1 573 56 56 ASP H H 5.932 0.02 1 574 56 56 ASP HA H 4.159 0.02 1 575 56 56 ASP HB2 H 2.089 0.02 2 576 56 56 ASP HB3 H 1.391 0.02 2 577 56 56 ASP C C 176.052 0.2 1 578 56 56 ASP CA C 49.907 0.2 1 579 56 56 ASP CB C 41.325 0.2 1 580 56 56 ASP N N 111.708 0.1 1 581 57 57 TRP H H 7.852 0.02 1 582 57 57 TRP HA H 5.94 0.02 1 583 57 57 TRP HB2 H 4.165 0.02 2 584 57 57 TRP HB3 H 3.974 0.02 2 585 57 57 TRP HD1 H 7.38 0.02 1 586 57 57 TRP HE1 H 10.122 0.02 1 587 57 57 TRP HE3 H 7.556 0.02 1 588 57 57 TRP HZ2 H 7.078 0.02 1 589 57 57 TRP HZ3 H 6.606 0.02 1 590 57 57 TRP HH2 H 7.301 0.02 1 591 57 57 TRP C C 174.179 0.2 1 592 57 57 TRP CA C 56.425 0.2 1 593 57 57 TRP CB C 37.135 0.2 1 594 57 57 TRP CD1 C 126.946 0.2 1 595 57 57 TRP CE3 C 119.634 0.2 1 596 57 57 TRP CZ3 C 118.46 0.2 1 597 57 57 TRP CH2 C 122.269 0.2 1 598 57 57 TRP N N 119.187 0.1 1 599 57 57 TRP NE1 N 129.2 0.1 1 600 58 58 ASN H H 8.164 0.02 1 601 58 58 ASN HA H 4.536 0.02 1 602 58 58 ASN HB2 H 2.316 0.02 2 603 58 58 ASN HB3 H 1.953 0.02 2 604 58 58 ASN HD21 H 7.606 0.02 2 605 58 58 ASN HD22 H 6.906 0.02 2 606 58 58 ASN C C 173.351 0.2 1 607 58 58 ASN CA C 51.931 0.2 1 608 58 58 ASN CB C 36.629 0.2 1 609 58 58 ASN CG C 174.513 0.2 1 610 58 58 ASN N N 115.116 0.1 1 611 58 58 ASN ND2 N 113.089 0.1 1 612 59 59 ASN H H 7.945 0.02 1 613 59 59 ASN HA H 4.943 0.02 1 614 59 59 ASN HB2 H 2.923 0.02 2 615 59 59 ASN HB3 H 2.856 0.02 2 616 59 59 ASN HD21 H 7.423 0.02 2 617 59 59 ASN HD22 H 6.917 0.02 2 618 59 59 ASN C C 175.744 0.2 1 619 59 59 ASN CA C 50.267 0.2 1 620 59 59 ASN CB C 36.132 0.2 1 621 59 59 ASN N N 120.1 0.1 1 622 59 59 ASN ND2 N 111.482 0.1 1 623 60 60 ASP H H 8.265 0.02 1 624 60 60 ASP HA H 4.59 0.02 1 625 60 60 ASP HB2 H 3.472 0.02 2 626 60 60 ASP HB3 H 3.018 0.02 2 627 60 60 ASP C C 172.183 0.2 1 628 60 60 ASP CA C 50.859 0.2 1 629 60 60 ASP CB C 36.676 0.2 1 630 60 60 ASP N N 119.582 0.1 1 631 61 61 GLN H H 8.555 0.02 1 632 61 61 GLN HA H 3.029 0.02 1 633 61 61 GLN HB2 H 1.772 0.02 2 634 61 61 GLN HB3 H 1.703 0.02 2 635 61 61 GLN HG2 H 2.055 0.02 2 636 61 61 GLN HG3 H 1.843 0.02 2 637 61 61 GLN HE21 H 7.541 0.02 2 638 61 61 GLN HE22 H 6.957 0.02 2 639 61 61 GLN C C 174.738 0.2 1 640 61 61 GLN CA C 56.518 0.2 1 641 61 61 GLN CB C 24.345 0.2 1 642 61 61 GLN CD C 176.675 0.2 1 643 61 61 GLN N N 120.731 0.1 1 644 61 61 GLN NE2 N 113.803 0.1 1 645 62 62 ASN H H 9.035 0.02 1 646 62 62 ASN HA H 4.997 0.02 1 647 62 62 ASN HB2 H 2.823 0.02 2 648 62 62 ASN HB3 H 2.531 0.02 2 649 62 62 ASN HD21 H 7.794 0.02 2 650 62 62 ASN HD22 H 6.893 0.02 2 651 62 62 ASN C C 174.824 0.2 1 652 62 62 ASN CA C 50.389 0.2 1 653 62 62 ASN CB C 35.255 0.2 1 654 62 62 ASN CG C 174.449 0.2 1 655 62 62 ASN N N 112.954 0.1 1 656 62 62 ASN ND2 N 113.414 0.1 1 657 63 63 CYS H H 8.265 0.02 1 658 63 63 CYS HA H 4.298 0.02 1 659 63 63 CYS HB2 H 3.395 0.02 2 660 63 63 CYS HB3 H 2.767 0.02 2 661 63 63 CYS C C 174.53 0.2 1 662 63 63 CYS CA C 56.818 0.2 1 663 63 63 CYS CB C 38.659 0.2 1 664 63 63 CYS N N 123.089 0.1 1 665 64 64 GLY H H 9.45 0.02 1 666 64 64 GLY HA2 H 4.333 0.02 2 667 64 64 GLY HA3 H 3.694 0.02 2 668 64 64 GLY C C 171.827 0.2 1 669 64 64 GLY CA C 43.574 0.2 1 670 64 64 GLY N N 109.113 0.1 1 671 65 65 THR H H 7.468 0.02 1 672 65 65 THR HA H 4.528 0.02 1 673 65 65 THR HB H 4.176 0.02 1 674 65 65 THR HG2 H 1.393 0.02 1 675 65 65 THR C C 170.788 0.2 1 676 65 65 THR CA C 57.689 0.2 1 677 65 65 THR CB C 68.478 0.2 1 678 65 65 THR CG2 C 20.031 0.2 1 679 65 65 THR N N 107.247 0.1 1 680 66 66 CYS H H 9.493 0.02 1 681 66 66 CYS HA H 5.542 0.02 1 682 66 66 CYS HB2 H 2.843 0.02 2 683 66 66 CYS HB3 H 2.496 0.02 2 684 66 66 CYS C C 170.076 0.2 1 685 66 66 CYS CA C 51.2 0.2 1 686 66 66 CYS CB C 39.964 0.2 1 687 66 66 CYS N N 124.042 0.1 1 688 67 67 TRP H H 9.411 0.02 1 689 67 67 TRP HA H 4.999 0.02 1 690 67 67 TRP HB2 H 3.089 0.02 2 691 67 67 TRP HB3 H 2.973 0.02 2 692 67 67 TRP HD1 H 7.417 0.02 1 693 67 67 TRP HE1 H 10.893 0.02 1 694 67 67 TRP HE3 H 7.047 0.02 1 695 67 67 TRP HZ2 H 7.117 0.02 1 696 67 67 TRP HZ3 H 6.908 0.02 1 697 67 67 TRP HH2 H 7.609 0.02 1 698 67 67 TRP C C 173.1 0.2 1 699 67 67 TRP CA C 53.404 0.2 1 700 67 67 TRP CB C 28.577 0.2 1 701 67 67 TRP CD1 C 127.8 0.2 1 702 67 67 TRP CE3 C 133.278 0.2 1 703 67 67 TRP CZ2 C 124.823 0.2 1 704 67 67 TRP CZ3 C 118.273 0.2 1 705 67 67 TRP CH2 C 120.869 0.2 1 706 67 67 TRP N N 128.751 0.1 1 707 67 67 TRP NE1 N 132.405 0.1 1 708 68 68 LYS H H 9.526 0.02 1 709 68 68 LYS HA H 4.593 0.02 1 710 68 68 LYS HB2 H 1.828 0.02 2 711 68 68 LYS HB3 H 1.562 0.02 2 712 68 68 LYS HG2 H 0.963 0.02 2 713 68 68 LYS HG3 H 0.854 0.02 2 714 68 68 LYS HD2 H 1.17 0.02 2 715 68 68 LYS HD3 H 1.094 0.02 2 716 68 68 LYS HE2 H 3.494 0.02 2 717 68 68 LYS HE3 H 3.498 0.02 2 718 68 68 LYS C C 174.443 0.2 1 719 68 68 LYS CA C 52.594 0.2 1 720 68 68 LYS CB C 32.094 0.2 1 721 68 68 LYS CG C 22.184 0.2 1 722 68 68 LYS CD C 29.116 0.2 1 723 68 68 LYS CE C 43.029 0.2 1 724 68 68 LYS N N 126.398 0.1 1 725 69 69 VAL H H 8.976 0.02 1 726 69 69 VAL HA H 4.654 0.02 1 727 69 69 VAL HB H 1.449 0.02 1 728 69 69 VAL HG1 H 0.411 0.02 2 729 69 69 VAL HG2 H 0.151 0.02 2 730 69 69 VAL C C 172.045 0.2 1 731 69 69 VAL CA C 58.724 0.2 1 732 69 69 VAL CB C 31.287 0.2 1 733 69 69 VAL CG1 C 19.596 0.2 2 734 69 69 VAL CG2 C 17.722 0.2 2 735 69 69 VAL N N 129.898 0.1 1 736 70 70 THR H H 8.452 0.02 1 737 70 70 THR HA H 4.923 0.02 1 738 70 70 THR HB H 3.743 0.02 1 739 70 70 THR HG2 H 1.021 0.02 1 740 70 70 THR C C 172.871 0.2 1 741 70 70 THR CA C 58.11 0.2 1 742 70 70 THR CB C 68.769 0.2 1 743 70 70 THR CG2 C 19.155 0.2 1 744 70 70 THR N N 118.739 0.1 1 745 71 71 VAL H H 9.186 0.02 1 746 71 71 VAL HA H 4.725 0.02 1 747 71 71 VAL HB H 2.145 0.02 1 748 71 71 VAL HG1 H 0.664 0.02 2 749 71 71 VAL HG2 H 0.78 0.02 2 750 71 71 VAL CA C 55.551 0.2 1 751 71 71 VAL CB C 29.394 0.2 1 752 71 71 VAL CG1 C 19.55 0.2 2 753 71 71 VAL CG2 C 19.55 0.2 2 754 71 71 VAL N N 121.307 0.1 1 755 72 72 PRO HA H 4.18 0.02 1 756 72 72 PRO HB2 H 2.231 0.02 2 757 72 72 PRO HB3 H 1.735 0.02 2 758 72 72 PRO HG2 H 2.08 0.02 2 759 72 72 PRO HG3 H 1.887 0.02 2 760 72 72 PRO HD2 H 3.880 0.02 2 761 72 72 PRO HD3 H 3.480 0.02 2 762 72 72 PRO C C 175.385 0.2 1 763 72 72 PRO CA C 61.458 0.2 1 764 72 72 PRO CB C 29.797 0.2 1 765 72 72 PRO CG C 25.595 0.2 1 766 72 72 PRO CD C 48.246 0.2 1 767 73 73 ASN H H 8.769 0.02 1 768 73 73 ASN HA H 4.246 0.02 1 769 73 73 ASN HB2 H 2.972 0.02 2 770 73 73 ASN HB3 H 2.792 0.02 2 771 73 73 ASN HD21 H 7.601 0.02 2 772 73 73 ASN HD22 H 6.977 0.02 2 773 73 73 ASN C C 172.106 0.2 1 774 73 73 ASN CA C 52.487 0.2 1 775 73 73 ASN CB C 35.012 0.2 1 776 73 73 ASN CG C 177.134 0.2 1 777 73 73 ASN N N 113.731 0.1 1 778 73 73 ASN ND2 N 114.526 0.1 1 779 74 74 ARG H H 7.383 0.02 1 780 74 74 ARG HA H 4.711 0.02 1 781 74 74 ARG HB2 H 2.121 0.02 2 782 74 74 ARG HB3 H 2.048 0.02 2 783 74 74 ARG HG2 H 1.704 0.02 2 784 74 74 ARG HG3 H 1.582 0.02 2 785 74 74 ARG HD2 H 2.98 0.02 2 786 74 74 ARG HD3 H 2.887 0.02 2 787 74 74 ARG HE H 6.628 0.02 1 788 74 74 ARG C C 175.192 0.2 1 789 74 74 ARG CA C 50.553 0.2 1 790 74 74 ARG CB C 30.306 0.2 1 791 74 74 ARG CG C 29.086 0.2 1 792 74 74 ARG CD C 42.977 0.2 1 793 74 74 ARG N N 116.68 0.1 1 794 74 74 ARG NE N 84.0444 0.1 1 795 75 75 ASN H H 8.988 0.02 1 796 75 75 ASN HA H 4.825 0.02 1 797 75 75 ASN HB2 H 2.811 0.02 2 798 75 75 ASN HB3 H 2.71 0.02 2 799 75 75 ASN HD21 H 7.748 0.02 2 800 75 75 ASN HD22 H 7.065 0.02 2 801 75 75 ASN CA C 49.439 0.2 1 802 75 75 ASN CB C 34.243 0.2 1 803 75 75 ASN CG C 177.146 0.2 1 804 75 75 ASN N N 122.827 0.1 1 805 75 75 ASN ND2 N 113.694 0.1 1 806 76 76 PRO HA H 4.761 0.02 1 807 76 76 PRO HB2 H 2.058 0.02 2 808 76 76 PRO HB3 H 1.153 0.02 2 809 76 76 PRO HG2 H 1.903 0.02 2 810 76 76 PRO HG3 H 1.808 0.02 2 811 76 76 PRO HD2 H 3.858 0.02 2 812 76 76 PRO HD3 H 3.592 0.02 2 813 76 76 PRO C C 174.537 0.2 1 814 76 76 PRO CA C 60.242 0.2 1 815 76 76 PRO CB C 30.291 0.2 1 816 76 76 PRO CG C 24.427 0.2 1 817 76 76 PRO CD C 48.001 0.2 1 818 77 77 ILE H H 7.977 0.02 1 819 77 77 ILE HA H 4.499 0.02 1 820 77 77 ILE HB H 1.605 0.02 1 821 77 77 ILE HG12 H 1.361 0.02 2 822 77 77 ILE HG13 H 1.139 0.02 2 823 77 77 ILE HG2 H 0.699 0.02 1 824 77 77 ILE HD1 H 0.558 0.02 1 825 77 77 ILE C C 170.697 0.2 1 826 77 77 ILE CA C 56.373 0.2 1 827 77 77 ILE CB C 39.269 0.2 1 828 77 77 ILE CG1 C 23.288 0.2 1 829 77 77 ILE CG2 C 14.445 0.2 1 830 77 77 ILE CD1 C 9.019 0.2 1 831 77 77 ILE N N 113.166 0.1 1 832 78 78 PHE H H 8.265 0.02 1 833 78 78 PHE HA H 5.519 0.02 1 834 78 78 PHE HB2 H 2.857 0.02 2 835 78 78 PHE HB3 H 2.752 0.02 2 836 78 78 PHE HD1 H 7.062 0.02 3 837 78 78 PHE HD2 H 7.062 0.02 3 838 78 78 PHE HE1 H 6.814 0.02 3 839 78 78 PHE HE2 H 6.814 0.02 3 840 78 78 PHE HZ H 7.284 0.02 1 841 78 78 PHE C C 174.381 0.2 1 842 78 78 PHE CA C 53.719 0.2 1 843 78 78 PHE CB C 37.99 0.2 1 844 78 78 PHE CD1 C 132.244 0.2 3 845 78 78 PHE CD2 C 132.244 0.2 3 846 78 78 PHE CE1 C 131.656 0.2 3 847 78 78 PHE CE2 C 131.656 0.2 3 848 78 78 PHE CZ C 132.264 0.2 1 849 78 78 PHE N N 119.582 0.1 1 850 79 79 ILE H H 9.685 0.02 1 851 79 79 ILE HA H 4.358 0.02 1 852 79 79 ILE HB H 1.811 0.02 1 853 79 79 ILE HG12 H 1.248 0.02 2 854 79 79 ILE HG13 H 1.013 0.02 2 855 79 79 ILE HG2 H 0.564 0.02 1 856 79 79 ILE HD1 H 0.522 0.02 1 857 79 79 ILE C C 172.522 0.2 1 858 79 79 ILE CA C 53.973 0.2 1 859 79 79 ILE CB C 38.462 0.2 1 860 79 79 ILE CG1 C 24.36 0.2 1 861 79 79 ILE CG2 C 14.596 0.2 1 862 79 79 ILE CD1 C 12.378 0.2 1 863 79 79 ILE N N 122.372 0.1 1 864 80 80 LEU H H 8.605 0.02 1 865 80 80 LEU HA H 5.3 0.02 1 866 80 80 LEU HB2 H 1.993 0.02 2 867 80 80 LEU HB3 H 1.191 0.02 2 868 80 80 LEU HG H 1.54 0.02 1 869 80 80 LEU HD1 H 0.951 0.02 2 870 80 80 LEU HD2 H 0.951 0.02 2 871 80 80 LEU C C 175.296 0.2 1 872 80 80 LEU CA C 50.764 0.2 1 873 80 80 LEU CB C 42.556 0.2 1 874 80 80 LEU CG C 24.388 0.2 1 875 80 80 LEU CD1 C 21.319 0.2 2 876 80 80 LEU CD2 C 21.319 0.2 2 877 80 80 LEU N N 128.726 0.1 1 878 81 81 GLY H H 9.972 0.02 1 879 81 81 GLY HA2 H 4.555 0.02 2 880 81 81 GLY HA3 H 3.383 0.02 2 881 81 81 GLY C C 171.716 0.2 1 882 81 81 GLY CA C 45.12 0.2 1 883 81 81 GLY N N 113.906 0.1 1 884 82 82 VAL H H 8.637 0.02 1 885 82 82 VAL HA H 4.783 0.02 1 886 82 82 VAL HB H 2.532 0.02 1 887 82 82 VAL HG1 H 0.643 0.02 2 888 82 82 VAL HG2 H 0.867 0.02 2 889 82 82 VAL C C 170.881 0.2 1 890 82 82 VAL CA C 57.476 0.2 1 891 82 82 VAL CB C 31.487 0.2 1 892 82 82 VAL CG1 C 15.044 0.2 2 893 82 82 VAL CG2 C 19.596 0.2 2 894 82 82 VAL N N 116.002 0.1 1 895 83 83 ASP H H 7.482 0.02 1 896 83 83 ASP HA H 5.111 0.02 1 897 83 83 ASP HB2 H 2.843 0.02 2 898 83 83 ASP HB3 H 2.167 0.02 2 899 83 83 ASP C C 172.769 0.2 1 900 83 83 ASP CA C 48.626 0.2 1 901 83 83 ASP CB C 42.162 0.2 1 902 83 83 ASP N N 115.384 0.1 1 903 84 84 SER H H 8.249 0.02 1 904 84 84 SER HA H 4.973 0.02 1 905 84 84 SER HB2 H 3.087 0.02 2 906 84 84 SER HB3 H 2.964 0.02 2 907 84 84 SER C C 174.814 0.2 1 908 84 84 SER CA C 54.519 0.2 1 909 84 84 SER CB C 61.361 0.2 1 910 84 84 SER N N 115.113 0.1 1 911 85 85 GLY H H 8.436 0.02 1 912 85 85 GLY HA2 H 3.903 0.02 2 913 85 85 GLY HA3 H 3.637 0.02 2 914 85 85 GLY C C 172.186 0.2 1 915 85 85 GLY CA C 41.193 0.2 1 916 85 85 GLY N N 118.112 0.1 1 917 86 86 LYS H H 8.586 0.02 1 918 86 86 LYS HA H 3.828 0.02 1 919 86 86 LYS HB2 H 1.901 0.02 2 920 86 86 LYS HB3 H 1.817 0.02 2 921 86 86 LYS HG2 H 1.248 0.02 2 922 86 86 LYS HG3 H 1.2 0.02 2 923 86 86 LYS HD2 H 1.627 0.02 2 924 86 86 LYS HD3 H 1.627 0.02 2 925 86 86 LYS HE2 H 2.972 0.02 2 926 86 86 LYS HE3 H 2.808 0.02 2 927 86 86 LYS C C 175.086 0.2 1 928 86 86 LYS CA C 54.513 0.2 1 929 86 86 LYS CB C 26.675 0.2 1 930 86 86 LYS CG C 22.69 0.2 1 931 86 86 LYS CD C 26.661 0.2 1 932 86 86 LYS CE C 39.723 0.2 1 933 86 86 LYS N N 121.372 0.1 1 934 87 87 GLY H H 8.444 0.02 1 935 87 87 GLY HA2 H 4.212 0.02 2 936 87 87 GLY HA3 H 3.423 0.02 2 937 87 87 GLY C C 170.374 0.2 1 938 87 87 GLY CA C 42.122 0.2 1 939 87 87 GLY N N 103.817 0.1 1 940 88 88 ASN H H 7.055 0.02 1 941 88 88 ASN HA H 5.117 0.02 1 942 88 88 ASN HB2 H 2.843 0.02 2 943 88 88 ASN HB3 H 2.161 0.02 2 944 88 88 ASN HD21 H 7.368 0.02 2 945 88 88 ASN HD22 H 6.784 0.02 2 946 88 88 ASN C C 171.08 0.2 1 947 88 88 ASN CA C 49.569 0.2 1 948 88 88 ASN CB C 40.558 0.2 1 949 88 88 ASN N N 117.26 0.1 1 950 88 88 ASN ND2 N 114.8 0.1 1 951 89 89 PHE H H 8.317 0.02 1 952 89 89 PHE HA H 4.834 0.02 1 953 89 89 PHE HB2 H 2.841 0.02 2 954 89 89 PHE HB3 H 2.525 0.02 2 955 89 89 PHE HD1 H 6.675 0.02 3 956 89 89 PHE HD2 H 6.675 0.02 3 957 89 89 PHE HE1 H 6.913 0.02 3 958 89 89 PHE HE2 H 6.913 0.02 3 959 89 89 PHE HZ H 7.824 0.02 1 960 89 89 PHE C C 174.284 0.2 1 961 89 89 PHE CA C 55.112 0.2 1 962 89 89 PHE CB C 39.251 0.2 1 963 89 89 PHE CD1 C 133.369 0.2 3 964 89 89 PHE CD2 C 133.369 0.2 3 965 89 89 PHE CE1 C 133.727 0.2 3 966 89 89 PHE CE2 C 133.727 0.2 3 967 89 89 PHE CZ C 134.082 0.2 1 968 89 89 PHE N N 112.852 0.1 1 969 90 90 ASN H H 8.546 0.02 1 970 90 90 ASN HA H 5.192 0.02 1 971 90 90 ASN HB2 H 2.955 0.02 2 972 90 90 ASN HB3 H 2.455 0.02 2 973 90 90 ASN HD21 H 7.471 0.02 2 974 90 90 ASN HD22 H 6.476 0.02 2 975 90 90 ASN C C 172.454 0.2 1 976 90 90 ASN CA C 49.197 0.2 1 977 90 90 ASN CB C 37.654 0.2 1 978 90 90 ASN CG C 172.174 0.2 1 979 90 90 ASN N N 125.504 0.1 1 980 90 90 ASN ND2 N 108.62 0.1 1 981 91 91 VAL H H 8.925 0.02 1 982 91 91 VAL HA H 5.347 0.02 1 983 91 91 VAL HB H 2.375 0.02 1 984 91 91 VAL HG1 H 1.335 0.02 2 985 91 91 VAL HG2 H 1.19 0.02 2 986 91 91 VAL C C 172.665 0.2 1 987 91 91 VAL CA C 56.474 0.2 1 988 91 91 VAL CB C 32.751 0.2 1 989 91 91 VAL CG1 C 19.226 0.2 2 990 91 91 VAL CG2 C 19.226 0.2 2 991 91 91 VAL N N 113.622 0.1 1 992 92 92 SER H H 7.221 0.02 1 993 92 92 SER HA H 4.688 0.02 1 994 92 92 SER HB2 H 3.978 0.02 2 995 92 92 SER HB3 H 3.836 0.02 2 996 92 92 SER CA C 54.46 0.2 1 997 92 92 SER CB C 59.004 0.2 1 998 92 92 SER N N 112.951 0.1 1 999 93 93 PRO HA H 3.809 0.02 1 1000 93 93 PRO HB2 H 2.082 0.02 2 1001 93 93 PRO HB3 H 1.931 0.02 2 1002 93 93 PRO HG2 H 2.495 0.02 2 1003 93 93 PRO HG3 H 2.292 0.02 2 1004 93 93 PRO HD2 H 3.724 0.02 2 1005 93 93 PRO HD3 H 3.654 0.02 2 1006 93 93 PRO C C 178.101 0.2 1 1007 93 93 PRO CA C 63.262 0.2 1 1008 93 93 PRO CB C 29.019 0.2 1 1009 93 93 PRO CG C 25.708 0.2 1 1010 93 93 PRO CD C 49.589 0.2 1 1011 94 94 GLN H H 10.406 0.02 1 1012 94 94 GLN HA H 3.87 0.02 1 1013 94 94 GLN HB2 H 2.121 0.02 2 1014 94 94 GLN HB3 H 1.993 0.02 2 1015 94 94 GLN HG2 H 2.51 0.02 2 1016 94 94 GLN HG3 H 2.334 0.02 2 1017 94 94 GLN HE21 H 7.865 0.02 2 1018 94 94 GLN HE22 H 7.381 0.02 2 1019 94 94 GLN C C 177.302 0.2 1 1020 94 94 GLN CA C 57.944 0.2 1 1021 94 94 GLN CB C 25.98 0.2 1 1022 94 94 GLN CG C 26.562 0.2 1 1023 94 94 GLN CD C 176.691 0.2 1 1024 94 94 GLN N N 119.452 0.1 1 1025 94 94 GLN NE2 N 110.732 0.1 1 1026 95 95 ALA H H 8.209 0.02 1 1027 95 95 ALA HA H 4.058 0.02 1 1028 95 95 ALA HB H 1.372 0.02 1 1029 95 95 ALA C C 176.994 0.2 1 1030 95 95 ALA CA C 51.782 0.2 1 1031 95 95 ALA CB C 15.774 0.2 1 1032 95 95 ALA N N 123.02 0.1 1 1033 96 96 PHE H H 8.549 0.02 1 1034 96 96 PHE HA H 3.659 0.02 1 1035 96 96 PHE HB2 H 2.961 0.02 2 1036 96 96 PHE HB3 H 2.898 0.02 2 1037 96 96 PHE HD1 H 6.985 0.02 3 1038 96 96 PHE HD2 H 6.985 0.02 3 1039 96 96 PHE HE1 H 7.323 0.02 3 1040 96 96 PHE HE2 H 7.323 0.02 3 1041 96 96 PHE HZ H 7.13 0.02 1 1042 96 96 PHE C C 176.555 0.2 1 1043 96 96 PHE CA C 60.232 0.2 1 1044 96 96 PHE CB C 37.99 0.2 1 1045 96 96 PHE CD1 C 133.323 0.2 3 1046 96 96 PHE CD2 C 133.323 0.2 3 1047 96 96 PHE CE1 C 129.666 0.2 3 1048 96 96 PHE CE2 C 129.666 0.2 3 1049 96 96 PHE CZ C 129.467 0.2 1 1050 96 96 PHE N N 119.66 0.1 1 1051 97 97 THR H H 8.67 0.02 1 1052 97 97 THR HA H 3.799 0.02 1 1053 97 97 THR HB H 4.143 0.02 1 1054 97 97 THR HG2 H 1.014 0.02 1 1055 97 97 THR C C 175.547 0.2 1 1056 97 97 THR CA C 63.795 0.2 1 1057 97 97 THR CB C 65.603 0.2 1 1058 97 97 THR CG2 C 17.215 0.2 1 1059 97 97 THR N N 118.189 0.1 1 1060 98 98 GLU H H 8.058 0.02 1 1061 98 98 GLU HA H 3.889 0.02 1 1062 98 98 GLU HB2 H 2.206 0.02 2 1063 98 98 GLU HB3 H 2.109 0.02 2 1064 98 98 GLU HG2 H 2.546 0.02 2 1065 98 98 GLU HG3 H 2.371 0.02 2 1066 98 98 GLU C C 176.768 0.2 1 1067 98 98 GLU CA C 56.38 0.2 1 1068 98 98 GLU CB C 25.637 0.2 1 1069 98 98 GLU CG C 30.454 0.2 1 1070 98 98 GLU N N 123.981 0.1 1 1071 99 99 LEU H H 8.126 0.02 1 1072 99 99 LEU HA H 3.959 0.02 1 1073 99 99 LEU HB2 H 1.637 0.02 2 1074 99 99 LEU HB3 H 1.376 0.02 2 1075 99 99 LEU HG H 1.129 0.02 1 1076 99 99 LEU HD1 H 0.77 0.02 2 1077 99 99 LEU HD2 H 0.77 0.02 2 1078 99 99 LEU C C 175.632 0.2 1 1079 99 99 LEU CA C 55.495 0.2 1 1080 99 99 LEU CB C 39.407 0.2 1 1081 99 99 LEU CG C 30.217 0.2 1 1082 99 99 LEU CD1 C 20.673 0.2 2 1083 99 99 LEU CD2 C 20.673 0.2 2 1084 99 99 LEU N N 118.273 0.1 1 1085 100 100 THR H H 8.009 0.02 1 1086 100 100 THR HA H 4.047 0.02 1 1087 100 100 THR HB H 3.729 0.02 1 1088 100 100 THR HG2 H 0.447 0.02 1 1089 100 100 THR C C 174.239 0.2 1 1090 100 100 THR CA C 60.283 0.2 1 1091 100 100 THR CB C 68.27 0.2 1 1092 100 100 THR CG2 C 17.044 0.2 1 1093 100 100 THR N N 103.775 0.1 1 1094 101 101 GLY H H 8.377 0.02 1 1095 101 101 GLY HA2 H 4.338 0.02 2 1096 101 101 GLY HA3 H 3.693 0.02 2 1097 101 101 GLY C C 171.92 0.2 1 1098 101 101 GLY CA C 42.788 0.2 1 1099 101 101 GLY N N 113.049 0.1 1 1100 102 102 SER H H 8.045 0.02 1 1101 102 102 SER HA H 4.696 0.02 1 1102 102 102 SER HB2 H 3.978 0.02 2 1103 102 102 SER HB3 H 3.836 0.02 2 1104 102 102 SER C C 171.849 0.2 1 1105 102 102 SER CA C 55.156 0.2 1 1106 102 102 SER CB C 61.274 0.2 1 1107 102 102 SER N N 113.434 0.1 1 1108 103 103 THR H H 8.325 0.02 1 1109 103 103 THR HA H 4.409 0.02 1 1110 103 103 THR HB H 4.288 0.02 1 1111 103 103 THR HG2 H 1.23 0.02 1 1112 103 103 THR C C 174.24 0.2 1 1113 103 103 THR CA C 59.336 0.2 1 1114 103 103 THR CB C 65.875 0.2 1 1115 103 103 THR CG2 C 18.681 0.2 1 1116 103 103 THR N N 110.573 0.1 1 1117 104 104 ASP H H 8.491 0.02 1 1118 104 104 ASP HA H 4.468 0.02 1 1119 104 104 ASP HB2 H 2.834 0.02 2 1120 104 104 ASP HB3 H 2.784 0.02 2 1121 104 104 ASP C C 174.454 0.2 1 1122 104 104 ASP CA C 52.869 0.2 1 1123 104 104 ASP CB C 36.532 0.2 1 1124 104 104 ASP N N 121.313 0.1 1 1125 105 105 ALA H H 8.235 0.02 1 1126 105 105 ALA HA H 4.224 0.02 1 1127 105 105 ALA HB H 1.417 0.02 1 1128 105 105 ALA C C 177.142 0.2 1 1129 105 105 ALA CA C 50.613 0.2 1 1130 105 105 ALA CB C 16.525 0.2 1 1131 105 105 ALA N N 121.533 0.1 1 1132 106 106 GLY H H 7.825 0.02 1 1133 106 106 GLY HA2 H 4.086 0.02 2 1134 106 106 GLY HA3 H 3.737 0.02 2 1135 106 106 GLY C C 170.885 0.2 1 1136 106 106 GLY CA C 44.094 0.2 1 1137 106 106 GLY N N 105.839 0.1 1 1138 107 107 ARG H H 8.171 0.02 1 1139 107 107 ARG HA H 5.115 0.02 1 1140 107 107 ARG HB2 H 1.777 0.02 2 1141 107 107 ARG HB3 H 1.676 0.02 2 1142 107 107 ARG HG2 H 1.493 0.02 2 1143 107 107 ARG HG3 H 1.374 0.02 2 1144 107 107 ARG HD2 H 3.193 0.02 2 1145 107 107 ARG HD3 H 3.115 0.02 2 1146 107 107 ARG HE H 7.216 0.02 1 1147 107 107 ARG C C 173.558 0.2 1 1148 107 107 ARG CA C 52.868 0.2 1 1149 107 107 ARG CB C 29.921 0.2 1 1150 107 107 ARG CG C 24.39 0.2 1 1151 107 107 ARG CD C 40.749 0.2 1 1152 107 107 ARG N N 120.409 0.1 1 1153 107 107 ARG NE N 83.6375 0.1 1 1154 108 108 VAL H H 8.84 0.02 1 1155 108 108 VAL HA H 4.364 0.02 1 1156 108 108 VAL HB H 1.897 0.02 1 1157 108 108 VAL HG1 H 0.853 0.02 2 1158 108 108 VAL HG2 H 0.959 0.02 2 1159 108 108 VAL C C 173.383 0.2 1 1160 108 108 VAL CA C 59.313 0.2 1 1161 108 108 VAL CB C 30.716 0.2 1 1162 108 108 VAL CG1 C 19.559 0.2 2 1163 108 108 VAL CG2 C 19.169 0.2 2 1164 108 108 VAL N N 123.686 0.1 1 1165 109 109 ASN H H 8.788 0.02 1 1166 109 109 ASN HA H 4.877 0.02 1 1167 109 109 ASN HB2 H 2.941 0.02 2 1168 109 109 ASN HB3 H 2.724 0.02 2 1169 109 109 ASN HD21 H 7.537 0.02 2 1170 109 109 ASN HD22 H 6.851 0.02 2 1171 109 109 ASN C C 174.211 0.2 1 1172 109 109 ASN CA C 50.29 0.2 1 1173 109 109 ASN CB C 37.691 0.2 1 1174 109 109 ASN N N 123.677 0.1 1 1175 109 109 ASN ND2 N 112.148 0.1 1 1176 110 110 ASP H H 8.266 0.02 1 1177 110 110 ASP HA H 4.95 0.02 1 1178 110 110 ASP HB2 H 3.121 0.02 2 1179 110 110 ASP HB3 H 2.588 0.02 2 1180 110 110 ASP C C 172.995 0.2 1 1181 110 110 ASP CA C 51.11 0.2 1 1182 110 110 ASP CB C 34.181 0.2 1 1183 110 110 ASP N N 117.447 0.1 1 1184 111 111 ILE H H 7.767 0.02 1 1185 111 111 ILE HA H 4.662 0.02 1 1186 111 111 ILE HB H 1.805 0.02 1 1187 111 111 ILE HG12 H 1.253 0.02 2 1188 111 111 ILE HG13 H 1.017 0.02 2 1189 111 111 ILE HG2 H 0.76 0.02 1 1190 111 111 ILE HD1 H 0.490 0.02 1 1191 111 111 ILE C C 174.075 0.2 1 1192 111 111 ILE CA C 57.654 0.2 1 1193 111 111 ILE CB C 36.979 0.2 1 1194 111 111 ILE CG1 C 22.159 0.2 1 1195 111 111 ILE CG2 C 16.941 0.2 1 1196 111 111 ILE CD1 C 12.411 0.2 1 1197 111 111 ILE N N 111.648 0.1 1 1198 112 112 GLN H H 8.148 0.02 1 1199 112 112 GLN HA H 4.77 0.02 1 1200 112 112 GLN HB2 H 2.044 0.02 2 1201 112 112 GLN HB3 H 1.844 0.02 2 1202 112 112 GLN HG2 H 2.322 0.02 2 1203 112 112 GLN HG3 H 2.216 0.02 2 1204 112 112 GLN HE21 H 7.435 0.02 2 1205 112 112 GLN HE22 H 6.749 0.02 2 1206 112 112 GLN C C 172.836 0.2 1 1207 112 112 GLN CA C 52.068 0.2 1 1208 112 112 GLN CB C 28.437 0.2 1 1209 112 112 GLN CG C 31.399 0.2 1 1210 112 112 GLN CD C 177.047 0.2 1 1211 112 112 GLN N N 119.449 0.1 1 1212 112 112 GLN NE2 N 112.224 0.1 1 1213 113 113 TYR H H 8.331 0.02 1 1214 113 113 TYR HA H 6.008 0.02 1 1215 113 113 TYR HB2 H 2.836 0.02 2 1216 113 113 TYR HB3 H 2.836 0.02 2 1217 113 113 TYR HD1 H 7.073 0.02 3 1218 113 113 TYR HD2 H 6.791 0.02 3 1219 113 113 TYR HE1 H 6.813 0.02 3 1220 113 113 TYR HE2 H 6.668 0.02 3 1221 113 113 TYR C C 172.307 0.2 1 1222 113 113 TYR CA C 52.929 0.2 1 1223 113 113 TYR CB C 39.232 0.2 1 1224 113 113 TYR CD1 C 131.632 0.2 3 1225 113 113 TYR CD2 C 131.632 0.2 3 1226 113 113 TYR CE1 C 118.404 0.2 3 1227 113 113 TYR CE2 C 118.404 0.2 3 1228 113 113 TYR N N 117.801 0.1 1 1229 114 114 GLU H H 8.573 0.02 1 1230 114 114 GLU HA H 4.765 0.02 1 1231 114 114 GLU HB2 H 2.131 0.02 2 1232 114 114 GLU HB3 H 1.931 0.02 2 1233 114 114 GLU HG2 H 2.328 0.02 2 1234 114 114 GLU HG3 H 2.287 0.02 2 1235 114 114 GLU C C 171.32 0.2 1 1236 114 114 GLU CA C 52.074 0.2 1 1237 114 114 GLU CB C 29.515 0.2 1 1238 114 114 GLU CG C 31.397 0.2 1 1239 114 114 GLU N N 116.889 0.1 1 1240 115 115 LYS H H 8.766 0.02 1 1241 115 115 LYS HA H 3.491 0.02 1 1242 115 115 LYS HB2 H 1.136 0.02 2 1243 115 115 LYS HB3 H 1.016 0.02 2 1244 115 115 LYS HG2 H 0.873 0.02 2 1245 115 115 LYS HG3 H 0.464 0.02 2 1246 115 115 LYS HD2 H 1.477 0.02 2 1247 115 115 LYS HD3 H 1.432 0.02 2 1248 115 115 LYS HE2 H 2.887 0.02 2 1249 115 115 LYS HE3 H 2.815 0.02 2 1250 115 115 LYS C C 174.647 0.2 1 1251 115 115 LYS CA C 54.411 0.2 1 1252 115 115 LYS CB C 29.08 0.2 1 1253 115 115 LYS CG C 22.245 0.2 1 1254 115 115 LYS CD C 26.63 0.2 1 1255 115 115 LYS CE C 39.55 0.2 1 1256 115 115 LYS N N 129.328 0.1 1 1257 116 116 VAL H H 8.564 0.02 1 1258 116 116 VAL HA H 4.706 0.02 1 1259 116 116 VAL HB H 2.133 0.02 1 1260 116 116 VAL HG1 H 0.663 0.02 2 1261 116 116 VAL HG2 H 0.911 0.02 2 1262 116 116 VAL C C 173.061 0.2 1 1263 116 116 VAL CA C 56.243 0.2 1 1264 116 116 VAL CB C 33.739 0.2 1 1265 116 116 VAL CG1 C 16.908 0.2 2 1266 116 116 VAL CG2 C 16.941 0.2 2 1267 116 116 VAL N N 120.164 0.1 1 1268 117 117 SER H H 8.41 0.02 1 1269 117 117 SER HA H 4.154 0.02 1 1270 117 117 SER HB2 H 4.011 0.02 2 1271 117 117 SER HB3 H 3.788 0.02 2 1272 117 117 SER C C 176.497 0.2 1 1273 117 117 SER CA C 56.718 0.2 1 1274 117 117 SER CB C 60.244 0.2 1 1275 117 117 SER N N 114.26 0.1 1 1276 118 118 ALA H H 9.17 0.02 1 1277 118 118 ALA HA H 3.947 0.02 1 1278 118 118 ALA HB H 1.471 0.02 1 1279 118 118 ALA C C 176.76 0.2 1 1280 118 118 ALA CA C 52.928 0.2 1 1281 118 118 ALA CB C 14.895 0.2 1 1282 118 118 ALA N N 125.42 0.1 1 1283 119 119 ASP H H 8.904 0.02 1 1284 119 119 ASP HA H 4.514 0.02 1 1285 119 119 ASP HB2 H 2.681 0.02 2 1286 119 119 ASP HB3 H 2.627 0.02 2 1287 119 119 ASP C C 178.059 0.2 1 1288 119 119 ASP CA C 53.322 0.2 1 1289 119 119 ASP CB C 35.086 0.2 1 1290 119 119 ASP N N 118.408 0.1 1 1291 120 120 ASN H H 7.835 0.02 1 1292 120 120 ASN HA H 3.929 0.02 1 1293 120 120 ASN HB2 H 2.379 0.02 2 1294 120 120 ASN HB3 H 2.217 0.02 2 1295 120 120 ASN HD21 H 7.535 0.02 2 1296 120 120 ASN HD22 H 7.093 0.02 2 1297 120 120 ASN C C 172.267 0.2 1 1298 120 120 ASN CA C 53.926 0.2 1 1299 120 120 ASN CB C 35.07 0.2 1 1300 120 120 ASN CG C 176.75 0.2 1 1301 120 120 ASN N N 119.975 0.1 1 1302 120 120 ASN ND2 N 117.45 0.1 1 1303 121 121 CYS H H 7.367 0.02 1 1304 121 121 CYS HA H 4.692 0.02 1 1305 121 121 CYS HB2 H 3.382 0.02 2 1306 121 121 CYS HB3 H 2.839 0.02 2 1307 121 121 CYS C C 169.508 0.2 1 1308 121 121 CYS CA C 57.231 0.2 1 1309 121 121 CYS CB C 35.658 0.2 1 1310 121 121 CYS N N 118.013 0.1 1 1311 122 122 LYS H H 7.254 0.02 1 1312 122 122 LYS HA H 3.724 0.02 1 1313 122 122 LYS HB2 H 1.909 0.02 2 1314 122 122 LYS HB3 H 1.909 0.02 2 1315 122 122 LYS HG2 H 1.25 0.02 2 1316 122 122 LYS HG3 H 1.072 0.02 2 1317 122 122 LYS HD2 H 1.63 0.02 2 1318 122 122 LYS HD3 H 1.63 0.02 2 1319 122 122 LYS HE2 H 2.972 0.02 2 1320 122 122 LYS HE3 H 2.972 0.02 2 1321 122 122 LYS C C 172.754 0.2 1 1322 122 122 LYS CA C 54.766 0.2 1 1323 122 122 LYS CB C 26.207 0.2 1 1324 122 122 LYS CG C 23.029 0.2 1 1325 122 122 LYS CD C 26.595 0.2 1 1326 122 122 LYS CE C 39.55 0.2 1 1327 122 122 LYS N N 107.563 0.1 1 1328 123 123 MET H H 7.143 0.02 1 1329 123 123 MET HA H 4.995 0.02 1 1330 123 123 MET HB2 H 1.670 0.02 2 1331 123 123 MET HB3 H 2.125 0.02 2 1332 123 123 MET HG2 H 3.205 0.02 2 1333 123 123 MET HG3 H 3.134 0.02 2 1334 123 123 MET HE H 2.029 0.02 1 1335 123 123 MET CA C 48.94 0.2 1 1336 123 123 MET CB C 28.246 0.2 1 1337 123 123 MET CE C 13.46 0.2 1 1338 123 123 MET N N 115.551 0.1 1 1339 124 124 PRO HA H 4.451 0.02 1 1340 124 124 PRO HB2 H 2.329 0.02 2 1341 124 124 PRO HB3 H 1.963 0.02 2 1342 124 124 PRO HG2 H 2.487 0.02 2 1343 124 124 PRO HG3 H 2.107 0.02 2 1344 124 124 PRO HD2 H 4.409 0.02 2 1345 124 124 PRO HD3 H 4.1 0.02 2 1346 124 124 PRO C C 175.018 0.2 1 1347 124 124 PRO CA C 60.191 0.2 1 1348 124 124 PRO CB C 29.642 0.2 1 1349 124 124 PRO CG C 29.019 0.2 1 1350 124 124 PRO CD C 51.725 0.2 1 1351 125 125 VAL H H 8.268 0.02 1 1352 125 125 VAL HA H 4.101 0.02 1 1353 125 125 VAL HB H 2.083 0.02 1 1354 125 125 VAL HG1 H 0.86 0.02 2 1355 125 125 VAL HG2 H 0.986 0.02 2 1356 125 125 VAL C C 173.651 0.2 1 1357 125 125 VAL CA C 59.456 0.2 1 1358 125 125 VAL CB C 30.026 0.2 1 1359 125 125 VAL CG1 C 18.681 0.2 2 1360 125 125 VAL CG2 C 18.681 0.2 2 1361 125 125 VAL N N 119.583 0.1 1 1362 126 126 ALA H H 8.273 0.02 1 1363 126 126 ALA HA H 4.23 0.02 1 1364 126 126 ALA HB H 1.437 0.02 1 1365 126 126 ALA CA C 50.277 0.2 1 1366 126 126 ALA CB C 17.327 0.2 1 1367 126 126 ALA N N 129.644 0.1 1 stop_ save_