data_26059 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structures of AF9 yeats domain in complex with histon H3 acetylation at K18 ; _BMRB_accession_number 26059 _BMRB_flat_file_name bmr26059.str _Entry_type original _Submission_date 2016-05-19 _Accession_date 2016-05-19 _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 Zeng Lei . . 2 ZHOU MING-MING . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 870 "13C chemical shifts" 666 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-12 update BMRB 'update entry citation' 2016-09-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26060 'AF9 domain with histone crontonylation' stop_ _Original_release_date 2016-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Insights into Histone Crotonyl-Lysine Recognition by the AF9 YEATS Domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27545619 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Qiang . . 2 Zeng Lei . . 3 Zhao Chengcheng . . 4 Ju Ying . . 5 Konuma Tsuyoshi . . 6 ZHOU MING-MING . . stop_ _Journal_abbreviation Structure _Journal_volume 24 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1606 _Page_last 1612 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AF9 yeats domain in complex with histon H3 acetylation at K18' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16611.314 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; GSHMASSCAVQVKLELGHRA QVRKKPTVEGFTHDWMVFVR GPEHSNIQHFVEKVVFHLHE SFPRPKRVCKDPPYKVEESG YAGFILPIEVYFKNKEEPRK VRFDYDLFLHLEGHPPVNHL RCEKLTFNNPTEDFRRKLLK A ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 HIS 4 4 MET 5 5 ALA 6 6 SER 7 7 SER 8 8 CYS 9 9 ALA 10 10 VAL 11 11 GLN 12 12 VAL 13 13 LYS 14 14 LEU 15 15 GLU 16 16 LEU 17 17 GLY 18 18 HIS 19 19 ARG 20 20 ALA 21 21 GLN 22 22 VAL 23 23 ARG 24 24 LYS 25 25 LYS 26 26 PRO 27 27 THR 28 28 VAL 29 29 GLU 30 30 GLY 31 31 PHE 32 32 THR 33 33 HIS 34 34 ASP 35 35 TRP 36 36 MET 37 37 VAL 38 38 PHE 39 39 VAL 40 40 ARG 41 41 GLY 42 42 PRO 43 43 GLU 44 44 HIS 45 45 SER 46 46 ASN 47 47 ILE 48 48 GLN 49 49 HIS 50 50 PHE 51 51 VAL 52 52 GLU 53 53 LYS 54 54 VAL 55 55 VAL 56 56 PHE 57 57 HIS 58 58 LEU 59 59 HIS 60 60 GLU 61 61 SER 62 62 PHE 63 63 PRO 64 64 ARG 65 65 PRO 66 66 LYS 67 67 ARG 68 68 VAL 69 69 CYS 70 70 LYS 71 71 ASP 72 72 PRO 73 73 PRO 74 74 TYR 75 75 LYS 76 76 VAL 77 77 GLU 78 78 GLU 79 79 SER 80 80 GLY 81 81 TYR 82 82 ALA 83 83 GLY 84 84 PHE 85 85 ILE 86 86 LEU 87 87 PRO 88 88 ILE 89 89 GLU 90 90 VAL 91 91 TYR 92 92 PHE 93 93 LYS 94 94 ASN 95 95 LYS 96 96 GLU 97 97 GLU 98 98 PRO 99 99 ARG 100 100 LYS 101 101 VAL 102 102 ARG 103 103 PHE 104 104 ASP 105 105 TYR 106 106 ASP 107 107 LEU 108 108 PHE 109 109 LEU 110 110 HIS 111 111 LEU 112 112 GLU 113 113 GLY 114 114 HIS 115 115 PRO 116 116 PRO 117 117 VAL 118 118 ASN 119 119 HIS 120 120 LEU 121 121 ARG 122 122 CYS 123 123 GLU 124 124 LYS 125 125 LEU 126 126 THR 127 127 PHE 128 128 ASN 129 129 ASN 130 130 PRO 131 131 THR 132 132 GLU 133 133 ASP 134 134 PHE 135 135 ARG 136 136 ARG 137 137 LYS 138 138 LEU 139 139 LEU 140 140 LYS 141 141 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1370.634 _Mol_thiol_state 'not present' _Details . _Residue_count 13 _Mol_residue_sequence ; GGKAPRXQLATKA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 212 GLY 2 213 GLY 3 214 LYS 4 215 ALA 5 216 PRO 6 217 ARG 7 218 ALY 8 219 GLN 9 220 LEU 10 221 ALA 11 222 THR 12 223 LYS 13 224 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_ALY _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common N(6)-ACETYLLYSINE _BMRB_code ALY _PDB_code ALY _Standard_residue_derivative . _Molecular_mass 188.224 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OH OH O . 0 . ? CH CH C . 0 . ? CH3 CH3 C . 0 . ? NZ NZ N . 0 . ? CE CE C . 0 . ? CD CD C . 0 . ? CG CG C . 0 . ? CB CB C . 0 . ? CA CA C . 0 . ? N N N . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? HH31 HH31 H . 0 . ? HH32 HH32 H . 0 . ? HH33 HH33 H . 0 . ? HZ HZ H . 0 . ? HE3 HE3 H . 0 . ? HE2 HE2 H . 0 . ? HD3 HD3 H . 0 . ? HD2 HD2 H . 0 . ? HG3 HG3 H . 0 . ? HG2 HG2 H . 0 . ? HB3 HB3 H . 0 . ? HB2 HB2 H . 0 . ? HCA HCA H . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB OH CH ? ? SING CH CH3 ? ? SING CH NZ ? ? SING CH3 HH31 ? ? SING CH3 HH32 ? ? SING CH3 HH33 ? ? SING NZ CE ? ? SING NZ HZ ? ? SING CE CD ? ? SING CE HE3 ? ? SING CE HE2 ? ? SING CD CG ? ? SING CD HD3 ? ? SING CD HD2 ? ? SING CG CB ? ? SING CG HG3 ? ? SING CG HG2 ? ? SING CB CA ? ? SING CB HB3 ? ? SING CB HB2 ? ? SING CA N ? ? SING CA C ? ? SING CA HCA ? ? SING N H ? ? SING N H2 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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 $entity_1 'recombinant technology' . . . 'RIL strain cells' BL21(DE3) $entity_2 'chemical synthesis' . . . . . 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 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' EDTA 2 mM 'natural abundance' DTT 2 mM '[U-100% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' EDTA 2 mM 'natural abundance' DTT 2 mM '[U-100% 2H]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 7.1 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift calculation' processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version '5.04 C-version' loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 'talosn, talosplus' loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details cryo-probe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details cryo-probe save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryo-probe save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details cryo-probe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_filtered_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D filtered 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_filtered_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D filtered 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 298 . 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 water C 13 'methyl carbon' ppm 40 internal direct . . . 1 water H 1 protons ppm 4.773 internal direct . . . 1 water N 15 nitrogen ppm 119 internal direct . . . 1 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' 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 entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 MET C C 175.8000 0.4 1 2 4 4 MET CA C 55.3500 0.4 1 3 4 4 MET CB C 32.8800 0.4 1 4 5 5 ALA H H 8.3200 0.04 1 5 5 5 ALA HA H 4.3500 0.04 1 6 5 5 ALA HB H 1.4000 0.04 1 7 5 5 ALA CA C 52.4300 0.4 1 8 5 5 ALA CB C 19.3700 0.4 1 9 5 5 ALA N N 125.2300 0.4 1 10 6 6 SER HA H 4.4900 0.04 1 11 6 6 SER HB2 H 3.8600 0.04 2 12 6 6 SER HB3 H 3.9400 0.04 2 13 6 6 SER CA C 58.2000 0.4 1 14 6 6 SER CB C 63.7000 0.4 1 15 7 7 SER HA H 4.5300 0.04 1 16 7 7 SER HB2 H 3.8800 0.04 2 17 7 7 SER HB3 H 3.9500 0.04 2 18 7 7 SER CA C 58.2000 0.4 1 19 7 7 SER CB C 63.7000 0.4 1 20 8 8 CYS HA H 4.6100 0.04 1 21 8 8 CYS HB3 H 2.9800 0.04 2 22 8 8 CYS C C 173.5000 0.4 1 23 8 8 CYS CA C 58.3400 0.4 1 24 8 8 CYS CB C 28.4900 0.4 1 25 9 9 ALA H H 7.9600 0.04 1 26 9 9 ALA HA H 4.7900 0.04 1 27 9 9 ALA HB H 1.2860 0.04 1 28 9 9 ALA C C 177.4000 0.4 1 29 9 9 ALA CA C 52.0700 0.4 1 30 9 9 ALA CB C 20.6290 0.4 1 31 9 9 ALA N N 124.7000 0.4 1 32 10 10 VAL H H 8.4240 0.04 1 33 10 10 VAL HA H 4.2900 0.04 1 34 10 10 VAL HB H 1.7600 0.04 1 35 10 10 VAL HG1 H 0.7700 0.04 2 36 10 10 VAL HG2 H 0.8300 0.04 2 37 10 10 VAL C C 173.9000 0.4 1 38 10 10 VAL CA C 61.5500 0.4 1 39 10 10 VAL CB C 34.9000 0.4 1 40 10 10 VAL CG1 C 22.1000 0.4 1 41 10 10 VAL CG2 C 21.8000 0.4 1 42 10 10 VAL N N 120.1240 0.4 1 43 11 11 GLN H H 8.6360 0.04 1 44 11 11 GLN HA H 5.5600 0.04 1 45 11 11 GLN HB3 H 1.8700 0.04 2 46 11 11 GLN HG2 H 2.1600 0.04 2 47 11 11 GLN HG3 H 2.2100 0.04 2 48 11 11 GLN HE21 H 7.4100 0.04 2 49 11 11 GLN HE22 H 6.8800 0.04 2 50 11 11 GLN C C 175.4000 0.4 1 51 11 11 GLN CA C 54.1230 0.4 1 52 11 11 GLN CB C 32.0290 0.4 1 53 11 11 GLN CG C 34.4800 0.4 1 54 11 11 GLN N N 125.8180 0.4 1 55 11 11 GLN NE2 N 112.0900 0.4 1 56 12 12 VAL H H 8.8270 0.04 1 57 12 12 VAL HA H 4.6300 0.04 1 58 12 12 VAL HB H 2.1000 0.04 1 59 12 12 VAL HG1 H 0.6900 0.04 2 60 12 12 VAL HG2 H 0.6500 0.04 2 61 12 12 VAL C C 173.8000 0.4 1 62 12 12 VAL CA C 59.8000 0.4 1 63 12 12 VAL CB C 35.7110 0.4 1 64 12 12 VAL CG1 C 21.9000 0.4 1 65 12 12 VAL CG2 C 20.1000 0.4 1 66 12 12 VAL N N 119.1060 0.4 1 67 13 13 LYS H H 8.2340 0.04 1 68 13 13 LYS HA H 5.2000 0.04 1 69 13 13 LYS HB2 H 1.6400 0.04 2 70 13 13 LYS HB3 H 1.8200 0.04 2 71 13 13 LYS HG2 H 1.2600 0.04 2 72 13 13 LYS HG3 H 1.4700 0.04 2 73 13 13 LYS HD3 H 1.6700 0.04 2 74 13 13 LYS HE3 H 2.9100 0.04 2 75 13 13 LYS C C 175.0300 0.4 1 76 13 13 LYS CA C 55.4300 0.4 1 77 13 13 LYS CB C 35.9200 0.4 1 78 13 13 LYS CG C 25.8500 0.4 1 79 13 13 LYS CD C 29.2500 0.4 1 80 13 13 LYS CE C 41.7700 0.4 1 81 13 13 LYS N N 121.7000 0.4 1 82 14 14 LEU H H 8.8400 0.04 1 83 14 14 LEU HA H 4.9500 0.04 1 84 14 14 LEU HB2 H 1.3700 0.04 2 85 14 14 LEU HB3 H 1.5100 0.04 2 86 14 14 LEU HG H 1.7300 0.04 1 87 14 14 LEU HD1 H 0.9900 0.04 2 88 14 14 LEU HD2 H 1.0200 0.04 2 89 14 14 LEU C C 175.1100 0.4 1 90 14 14 LEU CA C 53.3570 0.4 1 91 14 14 LEU CB C 46.9210 0.4 1 92 14 14 LEU CG C 27.1600 0.4 1 93 14 14 LEU CD1 C 26.3800 0.4 1 94 14 14 LEU CD2 C 24.2800 0.4 1 95 14 14 LEU N N 119.1000 0.4 1 96 15 15 GLU H H 9.1810 0.04 1 97 15 15 GLU HA H 4.9900 0.04 1 98 15 15 GLU HB2 H 1.8300 0.04 2 99 15 15 GLU HB3 H 1.8500 0.04 2 100 15 15 GLU HG2 H 2.0900 0.04 2 101 15 15 GLU HG3 H 2.2300 0.04 2 102 15 15 GLU C C 173.8000 0.4 1 103 15 15 GLU CA C 55.4280 0.4 1 104 15 15 GLU CB C 31.8260 0.4 1 105 15 15 GLU CG C 36.9600 0.4 1 106 15 15 GLU N N 120.9780 0.4 1 107 16 16 LEU H H 8.8910 0.04 1 108 16 16 LEU HA H 5.1100 0.04 1 109 16 16 LEU HB2 H 1.3500 0.04 2 110 16 16 LEU HB3 H 1.4600 0.04 2 111 16 16 LEU HG H 1.5200 0.04 1 112 16 16 LEU HD1 H 0.4900 0.04 2 113 16 16 LEU HD2 H 0.3300 0.04 2 114 16 16 LEU C C 174.7000 0.4 1 115 16 16 LEU CA C 53.0760 0.4 1 116 16 16 LEU CB C 44.8920 0.4 1 117 16 16 LEU CG C 28.7000 0.4 1 118 16 16 LEU CD1 C 26.3700 0.4 1 119 16 16 LEU CD2 C 25.3300 0.4 1 120 16 16 LEU N N 124.4380 0.4 1 121 17 17 GLY H H 7.2270 0.04 1 122 17 17 GLY HA2 H 3.6800 0.04 2 123 17 17 GLY HA3 H 4.5400 0.04 2 124 17 17 GLY C C 170.3500 0.4 1 125 17 17 GLY CA C 46.9840 0.4 1 126 17 17 GLY N N 108.0670 0.4 1 127 18 18 HIS H H 8.1500 0.04 1 128 18 18 HIS HA H 5.6200 0.04 1 129 18 18 HIS HB2 H 2.8800 0.04 2 130 18 18 HIS HB3 H 3.3200 0.04 2 131 18 18 HIS HD2 H 6.0700 0.04 1 132 18 18 HIS HE1 H 6.3500 0.04 1 133 18 18 HIS C C 172.4000 0.4 1 134 18 18 HIS CA C 54.9400 0.4 1 135 18 18 HIS CB C 34.1600 0.4 1 136 18 18 HIS CD2 C 117.1400 0.4 1 137 18 18 HIS CE1 C 137.1000 0.4 1 138 18 18 HIS N N 111.2000 0.4 1 139 19 19 ARG H H 9.0100 0.04 1 140 19 19 ARG HA H 5.1000 0.04 1 141 19 19 ARG HB2 H 1.7800 0.04 2 142 19 19 ARG HB3 H 2.0000 0.04 2 143 19 19 ARG HG3 H 1.8100 0.04 2 144 19 19 ARG HD3 H 3.2100 0.04 2 145 19 19 ARG C C 175.8000 0.4 1 146 19 19 ARG CA C 53.5000 0.4 1 147 19 19 ARG CB C 34.6500 0.4 1 148 19 19 ARG CG C 27.9400 0.4 1 149 19 19 ARG CD C 43.6400 0.4 1 150 19 19 ARG N N 117.8000 0.4 1 151 20 20 ALA H H 8.0700 0.04 1 152 20 20 ALA HA H 5.5400 0.04 1 153 20 20 ALA HB H 1.4400 0.04 1 154 20 20 ALA C C 175.8000 0.4 1 155 20 20 ALA CA C 51.5900 0.4 1 156 20 20 ALA CB C 23.7500 0.4 1 157 20 20 ALA N N 120.3900 0.4 1 158 21 21 GLN H H 9.2400 0.04 1 159 21 21 GLN HA H 5.2300 0.04 1 160 21 21 GLN HB3 H 2.1400 0.04 2 161 21 21 GLN HG2 H 2.3500 0.04 2 162 21 21 GLN HG3 H 2.5200 0.04 2 163 21 21 GLN HE21 H 7.7200 0.04 2 164 21 21 GLN HE22 H 6.8500 0.04 2 165 21 21 GLN CA C 54.3300 0.4 1 166 21 21 GLN CB C 32.9000 0.4 1 167 21 21 GLN CG C 33.4400 0.4 1 168 21 21 GLN N N 121.7900 0.4 1 169 21 21 GLN NE2 N 111.8800 0.4 1 170 22 22 VAL HA H 3.6300 0.04 1 171 22 22 VAL HB H 1.8900 0.04 1 172 22 22 VAL HG1 H 0.6900 0.04 2 173 22 22 VAL HG2 H 0.8900 0.04 2 174 22 22 VAL C C 176.5000 0.4 1 175 22 22 VAL CA C 63.0300 0.4 1 176 22 22 VAL CB C 31.6000 0.4 1 177 22 22 VAL CG1 C 21.9300 0.4 1 178 22 22 VAL CG2 C 21.1000 0.4 1 179 23 23 ARG H H 8.7200 0.04 1 180 23 23 ARG HA H 4.1300 0.04 1 181 23 23 ARG HB2 H 1.1900 0.04 2 182 23 23 ARG HB3 H 2.0300 0.04 2 183 23 23 ARG HG2 H 1.2000 0.04 2 184 23 23 ARG HG3 H 1.7400 0.04 2 185 23 23 ARG HD2 H 3.0000 0.04 2 186 23 23 ARG HD3 H 3.4900 0.04 2 187 23 23 ARG CA C 56.2000 0.4 1 188 23 23 ARG CB C 32.1500 0.4 1 189 23 23 ARG CG C 29.3400 0.4 1 190 23 23 ARG CD C 43.5500 0.4 1 191 23 23 ARG N N 127.8400 0.4 1 192 24 24 LYS HA H 4.0400 0.04 1 193 24 24 LYS HB3 H 1.8600 0.04 2 194 24 24 LYS HG2 H 1.5100 0.04 2 195 24 24 LYS HG3 H 1.5900 0.04 2 196 24 24 LYS HD3 H 1.7300 0.04 2 197 24 24 LYS HE3 H 3.0300 0.04 2 198 24 24 LYS C C 176.9600 0.4 1 199 24 24 LYS CA C 58.8000 0.4 1 200 24 24 LYS CB C 32.0600 0.4 1 201 24 24 LYS CG C 25.0700 0.4 1 202 24 24 LYS CD C 28.6500 0.4 1 203 24 24 LYS CE C 41.8500 0.4 1 204 25 25 LYS H H 7.7200 0.04 1 205 25 25 LYS HA H 4.8300 0.04 1 206 25 25 LYS HB2 H 1.6800 0.04 2 207 25 25 LYS HB3 H 1.7800 0.04 2 208 25 25 LYS HG3 H 1.4500 0.04 2 209 25 25 LYS HD3 H 1.6900 0.04 2 210 25 25 LYS HE3 H 3.0100 0.04 2 211 25 25 LYS CA C 52.9600 0.4 1 212 25 25 LYS CB C 35.0800 0.4 1 213 25 25 LYS CG C 24.3700 0.4 1 214 25 25 LYS CD C 29.4400 0.4 1 215 25 25 LYS CE C 41.8800 0.4 1 216 25 25 LYS N N 115.8700 0.4 1 217 26 26 PRO HA H 4.8300 0.04 1 218 26 26 PRO HB2 H 1.8900 0.04 2 219 26 26 PRO HB3 H 2.0500 0.04 2 220 26 26 PRO HG3 H 2.0500 0.04 2 221 26 26 PRO HD2 H 3.6600 0.04 2 222 26 26 PRO HD3 H 3.8100 0.04 2 223 26 26 PRO C C 177.4000 0.4 1 224 26 26 PRO CA C 62.6500 0.4 1 225 26 26 PRO CB C 32.3900 0.4 1 226 26 26 PRO CG C 27.3200 0.4 1 227 26 26 PRO CD C 51.2300 0.4 1 228 27 27 THR H H 8.3800 0.04 1 229 27 27 THR HA H 4.5300 0.04 1 230 27 27 THR HB H 4.9000 0.04 1 231 27 27 THR HG1 H 5.5700 0.04 1 232 27 27 THR HG2 H 1.5100 0.04 1 233 27 27 THR C C 177.3000 0.4 1 234 27 27 THR CA C 61.3000 0.4 1 235 27 27 THR CB C 71.4600 0.4 1 236 27 27 THR CG2 C 21.4000 0.4 1 237 27 27 THR N N 111.2700 0.4 1 238 28 28 VAL H H 8.9100 0.04 1 239 28 28 VAL HA H 3.8830 0.04 1 240 28 28 VAL HB H 2.1060 0.04 1 241 28 28 VAL HG1 H 0.9700 0.04 2 242 28 28 VAL HG2 H 0.9500 0.04 2 243 28 28 VAL C C 177.0300 0.4 1 244 28 28 VAL CA C 65.2000 0.4 1 245 28 28 VAL CB C 31.4000 0.4 1 246 28 28 VAL CG1 C 20.6000 0.4 1 247 28 28 VAL CG2 C 20.2000 0.4 1 248 28 28 VAL N N 121.1700 0.4 1 249 29 29 GLU H H 7.9900 0.04 1 250 29 29 GLU HA H 3.9200 0.04 1 251 29 29 GLU HB2 H 0.2900 0.04 2 252 29 29 GLU HB3 H 1.3700 0.04 2 253 29 29 GLU HG2 H 1.9200 0.04 2 254 29 29 GLU HG3 H 2.0600 0.04 2 255 29 29 GLU C C 176.2000 0.4 1 256 29 29 GLU CA C 57.2500 0.4 1 257 29 29 GLU CB C 28.1700 0.4 1 258 29 29 GLU CG C 35.8000 0.4 1 259 29 29 GLU N N 116.8000 0.4 1 260 30 30 GLY H H 7.9500 0.04 1 261 30 30 GLY HA2 H 3.4900 0.04 2 262 30 30 GLY HA3 H 4.1600 0.04 2 263 30 30 GLY C C 174.9000 0.4 1 264 30 30 GLY CA C 44.4600 0.4 1 265 30 30 GLY N N 105.5000 0.4 1 266 31 31 PHE H H 7.5200 0.04 1 267 31 31 PHE HA H 4.7600 0.04 1 268 31 31 PHE HB2 H 3.2200 0.04 2 269 31 31 PHE HB3 H 3.5500 0.04 2 270 31 31 PHE HD1 H 7.0400 0.04 3 271 31 31 PHE HD2 H 7.0400 0.04 3 272 31 31 PHE HE1 H 7.2800 0.04 3 273 31 31 PHE HE2 H 7.2800 0.04 3 274 31 31 PHE C C 176.4000 0.4 1 275 31 31 PHE CA C 55.9000 0.4 1 276 31 31 PHE CB C 35.5000 0.4 1 277 31 31 PHE CD1 C 130.5500 0.4 2 278 31 31 PHE CD2 C 130.5500 0.4 2 279 31 31 PHE CE1 C 132.0500 0.4 2 280 31 31 PHE CE2 C 132.0500 0.4 2 281 31 31 PHE N N 119.3000 0.4 1 282 32 32 THR H H 7.7700 0.04 1 283 32 32 THR HA H 4.3300 0.04 1 284 32 32 THR HB H 4.5200 0.04 1 285 32 32 THR HG2 H 1.4500 0.04 1 286 32 32 THR C C 175.2000 0.4 1 287 32 32 THR CA C 62.7800 0.4 1 288 32 32 THR CB C 70.3500 0.4 1 289 32 32 THR CG2 C 21.7100 0.4 1 290 32 32 THR N N 112.3000 0.4 1 291 33 33 HIS H H 9.1100 0.04 1 292 33 33 HIS HA H 5.5000 0.04 1 293 33 33 HIS HB2 H 2.7800 0.04 2 294 33 33 HIS HB3 H 2.8100 0.04 2 295 33 33 HIS HD2 H 6.8400 0.04 1 296 33 33 HIS HE1 H 7.7800 0.04 1 297 33 33 HIS C C 173.8800 0.4 1 298 33 33 HIS CA C 56.7800 0.4 1 299 33 33 HIS CB C 35.6400 0.4 1 300 33 33 HIS CE1 C 138.6600 0.4 1 301 33 33 HIS N N 121.9000 0.4 1 302 34 34 ASP H H 8.8100 0.04 1 303 34 34 ASP HA H 5.4000 0.04 1 304 34 34 ASP HB2 H 2.5500 0.04 2 305 34 34 ASP HB3 H 2.9200 0.04 2 306 34 34 ASP C C 175.1000 0.4 1 307 34 34 ASP CA C 53.3100 0.4 1 308 34 34 ASP CB C 43.0000 0.4 1 309 34 34 ASP N N 120.3000 0.4 1 310 35 35 TRP H H 9.2500 0.04 1 311 35 35 TRP HA H 5.7300 0.04 1 312 35 35 TRP HB2 H 3.1000 0.04 2 313 35 35 TRP HB3 H 3.4200 0.04 2 314 35 35 TRP HD1 H 6.4500 0.04 1 315 35 35 TRP HE1 H 10.3300 0.04 1 316 35 35 TRP HE3 H 7.1300 0.04 1 317 35 35 TRP HZ2 H 7.1900 0.04 1 318 35 35 TRP HZ3 H 6.5300 0.04 1 319 35 35 TRP HH2 H 6.4900 0.04 1 320 35 35 TRP C C 174.9000 0.4 1 321 35 35 TRP CA C 54.9000 0.4 1 322 35 35 TRP CB C 34.6700 0.4 1 323 35 35 TRP CD1 C 127.1300 0.4 1 324 35 35 TRP CE3 C 121.4000 0.4 1 325 35 35 TRP CZ2 C 114.8800 0.4 1 326 35 35 TRP CZ3 C 120.8000 0.4 1 327 35 35 TRP CH2 C 122.4300 0.4 1 328 35 35 TRP N N 119.8000 0.4 1 329 35 35 TRP NE1 N 127.4400 0.4 1 330 36 36 MET H H 9.0800 0.04 1 331 36 36 MET HA H 5.7500 0.04 1 332 36 36 MET HB2 H 2.1400 0.04 2 333 36 36 MET HB3 H 2.2000 0.04 2 334 36 36 MET HG2 H 2.4500 0.04 2 335 36 36 MET HG3 H 2.7000 0.04 2 336 36 36 MET HE H 2.0300 0.04 1 337 36 36 MET C C 173.7000 0.4 1 338 36 36 MET CA C 54.8300 0.4 1 339 36 36 MET CB C 35.2200 0.4 1 340 36 36 MET CG C 31.6100 0.4 1 341 36 36 MET CE C 16.9000 0.4 1 342 36 36 MET N N 120.9800 0.4 1 343 37 37 VAL H H 9.0800 0.04 1 344 37 37 VAL HA H 5.3100 0.04 1 345 37 37 VAL HB H 1.6100 0.04 1 346 37 37 VAL HG1 H 0.5900 0.04 2 347 37 37 VAL HG2 H 0.7300 0.04 2 348 37 37 VAL C C 172.3000 0.4 1 349 37 37 VAL CA C 58.5400 0.4 1 350 37 37 VAL CB C 35.0700 0.4 1 351 37 37 VAL CG1 C 21.4000 0.4 1 352 37 37 VAL CG2 C 20.3200 0.4 1 353 37 37 VAL N N 126.2200 0.4 1 354 38 38 PHE H H 8.3200 0.04 1 355 38 38 PHE HA H 5.9700 0.04 1 356 38 38 PHE HB2 H 2.9500 0.04 2 357 38 38 PHE HB3 H 3.0900 0.04 2 358 38 38 PHE HD1 H 6.8000 0.04 3 359 38 38 PHE HD2 H 6.8000 0.04 3 360 38 38 PHE HE1 H 6.9000 0.04 3 361 38 38 PHE HE2 H 6.9000 0.04 3 362 38 38 PHE HZ H 7.1700 0.04 1 363 38 38 PHE C C 172.9600 0.4 1 364 38 38 PHE CA C 56.1300 0.4 1 365 38 38 PHE CB C 43.0000 0.4 1 366 38 38 PHE CD1 C 132.5000 0.4 2 367 38 38 PHE CD2 C 132.5000 0.4 2 368 38 38 PHE CE1 C 129.5000 0.4 2 369 38 38 PHE CE2 C 129.5000 0.4 2 370 38 38 PHE CZ C 129.8000 0.4 1 371 38 38 PHE N N 120.6400 0.4 1 372 39 39 VAL H H 8.5800 0.04 1 373 39 39 VAL HA H 5.0100 0.04 1 374 39 39 VAL HB H 1.9300 0.04 1 375 39 39 VAL HG1 H 0.9140 0.04 2 376 39 39 VAL HG2 H 0.8000 0.04 2 377 39 39 VAL C C 174.7000 0.4 1 378 39 39 VAL CA C 61.6400 0.4 1 379 39 39 VAL CB C 35.4000 0.4 1 380 39 39 VAL CG1 C 22.7400 0.4 1 381 39 39 VAL CG2 C 20.9000 0.4 1 382 39 39 VAL N N 116.5000 0.4 1 383 40 40 ARG H H 9.8800 0.04 1 384 40 40 ARG HA H 5.0800 0.04 1 385 40 40 ARG HB2 H 1.8800 0.04 2 386 40 40 ARG HB3 H 2.2300 0.04 2 387 40 40 ARG HG2 H 1.7200 0.04 2 388 40 40 ARG HG3 H 1.8100 0.04 2 389 40 40 ARG HD2 H 2.6900 0.04 2 390 40 40 ARG HD3 H 2.8600 0.04 2 391 40 40 ARG C C 173.8000 0.4 1 392 40 40 ARG CA C 54.3000 0.4 1 393 40 40 ARG CB C 33.5800 0.4 1 394 40 40 ARG CG C 26.0400 0.4 1 395 40 40 ARG CD C 43.3800 0.4 1 396 40 40 ARG N N 124.1000 0.4 1 397 41 41 GLY H H 8.9100 0.04 1 398 41 41 GLY HA2 H 3.8700 0.04 2 399 41 41 GLY HA3 H 4.7900 0.04 2 400 41 41 GLY CA C 43.9700 0.4 1 401 41 41 GLY N N 107.6400 0.4 1 402 42 42 PRO HA H 4.4900 0.04 1 403 42 42 PRO HB2 H 1.9600 0.04 2 404 42 42 PRO HB3 H 2.3300 0.04 2 405 42 42 PRO HG2 H 1.9500 0.04 2 406 42 42 PRO HG3 H 2.1000 0.04 2 407 42 42 PRO HD2 H 3.6300 0.04 2 408 42 42 PRO HD3 H 3.6800 0.04 2 409 42 42 PRO C C 177.3000 0.4 1 410 42 42 PRO CA C 62.4400 0.4 1 411 42 42 PRO CB C 32.1100 0.4 1 412 42 42 PRO CG C 28.0700 0.4 1 413 42 42 PRO CD C 50.1600 0.4 1 414 43 43 GLU H H 9.0600 0.04 1 415 43 43 GLU HA H 3.7900 0.04 1 416 43 43 GLU HB3 H 1.9300 0.04 2 417 43 43 GLU HG2 H 1.9600 0.04 2 418 43 43 GLU HG3 H 2.1000 0.04 2 419 43 43 GLU C C 176.1100 0.4 1 420 43 43 GLU CA C 57.8500 0.4 1 421 43 43 GLU CB C 27.8500 0.4 1 422 43 43 GLU CG C 36.0500 0.4 1 423 43 43 GLU N N 121.0500 0.4 1 424 44 44 HIS H H 8.4200 0.04 1 425 44 44 HIS HA H 4.3510 0.04 1 426 44 44 HIS HB2 H 3.2700 0.04 2 427 44 44 HIS HB3 H 3.3900 0.04 2 428 44 44 HIS HD2 H 6.9000 0.04 1 429 44 44 HIS C C 175.1700 0.4 1 430 44 44 HIS CA C 57.6500 0.4 1 431 44 44 HIS CB C 28.3700 0.4 1 432 44 44 HIS CD2 C 120.1900 0.4 1 433 44 44 HIS N N 114.1000 0.4 1 434 45 45 SER H H 7.8700 0.04 1 435 45 45 SER HA H 4.5600 0.04 1 436 45 45 SER HB2 H 3.9500 0.04 2 437 45 45 SER HB3 H 4.0000 0.04 2 438 45 45 SER C C 173.7000 0.4 1 439 45 45 SER CA C 58.7100 0.4 1 440 45 45 SER CB C 64.5000 0.4 1 441 45 45 SER N N 115.5400 0.4 1 442 46 46 ASN H H 9.4800 0.04 1 443 46 46 ASN HA H 5.1200 0.04 1 444 46 46 ASN HB2 H 2.8400 0.04 2 445 46 46 ASN HB3 H 2.9000 0.04 2 446 46 46 ASN HD21 H 7.6800 0.04 2 447 46 46 ASN HD22 H 7.0100 0.04 2 448 46 46 ASN C C 176.3000 0.4 1 449 46 46 ASN CA C 52.6900 0.4 1 450 46 46 ASN CB C 38.7300 0.4 1 451 46 46 ASN N N 123.9000 0.4 1 452 46 46 ASN ND2 N 113.2000 0.4 1 453 47 47 ILE H H 8.1700 0.04 1 454 47 47 ILE HA H 3.9400 0.04 1 455 47 47 ILE HB H 1.5400 0.04 1 456 47 47 ILE HG12 H 1.1900 0.04 1 457 47 47 ILE HG13 H 1.4100 0.04 1 458 47 47 ILE HG2 H 1.0700 0.04 1 459 47 47 ILE HD1 H 0.6500 0.04 1 460 47 47 ILE C C 176.0000 0.4 1 461 47 47 ILE CA C 63.2000 0.4 1 462 47 47 ILE CB C 36.7000 0.4 1 463 47 47 ILE CG1 C 25.3300 0.4 1 464 47 47 ILE CG2 C 17.7400 0.4 1 465 47 47 ILE CD1 C 14.0000 0.4 1 466 47 47 ILE N N 115.2400 0.4 1 467 48 48 GLN H H 8.8500 0.04 1 468 48 48 GLN HA H 4.2800 0.04 1 469 48 48 GLN HB2 H 2.0800 0.04 2 470 48 48 GLN HB3 H 2.1800 0.04 2 471 48 48 GLN HG2 H 2.0800 0.04 2 472 48 48 GLN HG3 H 2.4800 0.04 2 473 48 48 GLN HE21 H 7.6300 0.04 2 474 48 48 GLN HE22 H 7.0900 0.04 2 475 48 48 GLN C C 175.6700 0.4 1 476 48 48 GLN CA C 57.9000 0.4 1 477 48 48 GLN CB C 26.9900 0.4 1 478 48 48 GLN CG C 32.6500 0.4 1 479 48 48 GLN N N 123.2000 0.4 1 480 48 48 GLN NE2 N 112.2700 0.4 1 481 49 49 HIS H H 7.4000 0.04 1 482 49 49 HIS HA H 4.5700 0.04 1 483 49 49 HIS HB2 H 3.0300 0.04 2 484 49 49 HIS HB3 H 3.2700 0.04 2 485 49 49 HIS HD2 H 7.3680 0.04 1 486 49 49 HIS HE1 H 7.8600 0.04 1 487 49 49 HIS C C 176.3800 0.4 1 488 49 49 HIS CA C 58.7500 0.4 1 489 49 49 HIS CB C 31.6200 0.4 1 490 49 49 HIS CD2 C 120.6900 0.4 1 491 49 49 HIS CE1 C 138.8500 0.4 1 492 49 49 HIS N N 115.4000 0.4 1 493 50 50 PHE H H 7.5700 0.04 1 494 50 50 PHE HA H 5.2300 0.04 1 495 50 50 PHE HB2 H 2.3100 0.04 2 496 50 50 PHE HB3 H 3.4600 0.04 2 497 50 50 PHE HD1 H 7.1700 0.04 3 498 50 50 PHE HD2 H 7.1700 0.04 3 499 50 50 PHE HE1 H 7.2800 0.04 3 500 50 50 PHE HE2 H 7.2800 0.04 3 501 50 50 PHE HZ H 7.2600 0.04 1 502 50 50 PHE C C 173.8000 0.4 1 503 50 50 PHE CA C 56.6600 0.4 1 504 50 50 PHE CB C 41.0000 0.4 1 505 50 50 PHE CD1 C 133.1900 0.4 2 506 50 50 PHE CD2 C 133.1900 0.4 2 507 50 50 PHE CE1 C 130.9300 0.4 2 508 50 50 PHE CE2 C 131.2300 0.4 2 509 50 50 PHE CZ C 129.9000 0.4 1 510 50 50 PHE N N 109.8000 0.4 1 511 51 51 VAL H H 7.8100 0.04 1 512 51 51 VAL HA H 4.3700 0.04 1 513 51 51 VAL HB H 1.6200 0.04 1 514 51 51 VAL HG1 H 0.3500 0.04 2 515 51 51 VAL HG2 H 0.3300 0.04 2 516 51 51 VAL C C 174.5000 0.4 1 517 51 51 VAL CA C 63.0000 0.4 1 518 51 51 VAL CB C 33.2800 0.4 1 519 51 51 VAL CG1 C 22.7000 0.4 1 520 51 51 VAL CG2 C 21.6000 0.4 1 521 51 51 VAL N N 127.8100 0.4 1 522 52 52 GLU H H 9.3800 0.04 1 523 52 52 GLU HA H 3.9800 0.04 1 524 52 52 GLU HB2 H 1.6400 0.04 2 525 52 52 GLU HB3 H 1.7300 0.04 2 526 52 52 GLU HG2 H 1.9500 0.04 2 527 52 52 GLU HG3 H 2.1300 0.04 2 528 52 52 GLU C C 175.4000 0.4 1 529 52 52 GLU CA C 58.0000 0.4 1 530 52 52 GLU CB C 31.5800 0.4 1 531 52 52 GLU CG C 35.9000 0.4 1 532 52 52 GLU N N 130.7000 0.4 1 533 53 53 LYS H H 7.1900 0.04 1 534 53 53 LYS HA H 4.8000 0.04 1 535 53 53 LYS HB2 H 1.2600 0.04 2 536 53 53 LYS HB3 H 2.1100 0.04 2 537 53 53 LYS HG2 H 0.6600 0.04 2 538 53 53 LYS HG3 H 0.8600 0.04 2 539 53 53 LYS HD3 H 1.1100 0.04 2 540 53 53 LYS HE2 H 1.5400 0.04 2 541 53 53 LYS HE3 H 1.6200 0.04 2 542 53 53 LYS C C 172.3000 0.4 1 543 53 53 LYS CA C 54.8400 0.4 1 544 53 53 LYS CB C 34.2500 0.4 1 545 53 53 LYS CG C 23.5000 0.4 1 546 53 53 LYS CD C 29.8500 0.4 1 547 53 53 LYS CE C 40.5000 0.4 1 548 53 53 LYS N N 109.2000 0.4 1 549 54 54 VAL H H 8.4500 0.04 1 550 54 54 VAL HA H 4.7700 0.04 1 551 54 54 VAL HB H 1.5600 0.04 1 552 54 54 VAL HG1 H 0.0890 0.04 2 553 54 54 VAL HG2 H 0.1700 0.04 2 554 54 54 VAL C C 173.6000 0.4 1 555 54 54 VAL CA C 61.0400 0.4 1 556 54 54 VAL CB C 34.7000 0.4 1 557 54 54 VAL CG1 C 22.7000 0.4 1 558 54 54 VAL CG2 C 22.1900 0.4 1 559 54 54 VAL N N 120.3800 0.4 1 560 55 55 VAL H H 9.2600 0.04 1 561 55 55 VAL HA H 4.7000 0.04 1 562 55 55 VAL HB H 2.1500 0.04 1 563 55 55 VAL HG1 H 0.8500 0.04 2 564 55 55 VAL HG2 H 0.3900 0.04 2 565 55 55 VAL C C 173.8000 0.4 1 566 55 55 VAL CA C 60.8700 0.4 1 567 55 55 VAL CB C 34.1000 0.4 1 568 55 55 VAL CG1 C 21.4000 0.4 1 569 55 55 VAL CG2 C 21.1400 0.4 1 570 55 55 VAL N N 126.9200 0.4 1 571 56 56 PHE H H 9.2900 0.04 1 572 56 56 PHE HA H 4.7220 0.04 1 573 56 56 PHE HB2 H 2.7340 0.04 2 574 56 56 PHE HB3 H 3.0500 0.04 2 575 56 56 PHE HD1 H 7.0600 0.04 3 576 56 56 PHE HD2 H 7.0600 0.04 3 577 56 56 PHE HE1 H 7.0100 0.04 3 578 56 56 PHE HE2 H 7.0100 0.04 3 579 56 56 PHE HZ H 7.0440 0.04 1 580 56 56 PHE C C 174.0000 0.4 1 581 56 56 PHE CA C 56.5800 0.4 1 582 56 56 PHE CB C 40.8900 0.4 1 583 56 56 PHE CD1 C 132.7000 0.4 2 584 56 56 PHE CD2 C 132.7000 0.4 2 585 56 56 PHE CE1 C 130.7500 0.4 2 586 56 56 PHE CE2 C 130.7500 0.4 2 587 56 56 PHE CZ C 128.9000 0.4 1 588 56 56 PHE N N 126.1300 0.4 1 589 57 57 HIS H H 8.6900 0.04 1 590 57 57 HIS HA H 4.8000 0.04 1 591 57 57 HIS HB2 H 2.9400 0.04 2 592 57 57 HIS HB3 H 3.4200 0.04 2 593 57 57 HIS HD2 H 6.7300 0.04 1 594 57 57 HIS HE1 H 7.5900 0.04 1 595 57 57 HIS C C 174.7000 0.4 1 596 57 57 HIS CA C 55.3200 0.4 1 597 57 57 HIS CB C 30.1000 0.4 1 598 57 57 HIS CD2 C 117.3500 0.4 1 599 57 57 HIS CE1 C 137.5000 0.4 1 600 57 57 HIS N N 124.1800 0.4 1 601 58 58 LEU H H 9.0500 0.04 1 602 58 58 LEU HA H 4.3100 0.04 1 603 58 58 LEU HB2 H 1.5000 0.04 2 604 58 58 LEU HB3 H 2.0800 0.04 2 605 58 58 LEU HG H 1.8700 0.04 1 606 58 58 LEU HD1 H 0.7000 0.04 2 607 58 58 LEU HD2 H 0.7350 0.04 2 608 58 58 LEU C C 174.4000 0.4 1 609 58 58 LEU CA C 55.4100 0.4 1 610 58 58 LEU CB C 41.1600 0.4 1 611 58 58 LEU CG C 28.7000 0.4 1 612 58 58 LEU CD1 C 24.5700 0.4 1 613 58 58 LEU CD2 C 23.4100 0.4 1 614 58 58 LEU N N 122.0500 0.4 1 615 59 59 HIS H H 5.1600 0.04 1 616 59 59 HIS C C 175.3000 0.4 1 617 59 59 HIS CA C 59.1100 0.4 1 618 59 59 HIS CB C 30.9300 0.4 1 619 59 59 HIS N N 118.5100 0.4 1 620 60 60 GLU H H 7.9600 0.04 1 621 60 60 GLU HA H 3.9600 0.04 1 622 60 60 GLU HB3 H 1.9400 0.04 2 623 60 60 GLU HG3 H 2.0600 0.04 2 624 60 60 GLU C C 175.1300 0.4 1 625 60 60 GLU CA C 59.0100 0.4 1 626 60 60 GLU CB C 28.8200 0.4 1 627 60 60 GLU CG C 35.8000 0.4 1 628 60 60 GLU N N 122.1900 0.4 1 629 61 61 SER H H 8.5400 0.04 1 630 61 61 SER HA H 4.2000 0.04 1 631 61 61 SER HB2 H 3.9800 0.04 2 632 61 61 SER HB3 H 4.2200 0.04 2 633 61 61 SER CA C 60.0100 0.4 1 634 61 61 SER CB C 63.1400 0.4 1 635 61 61 SER N N 116.9400 0.4 1 636 62 62 PHE H H 8.6400 0.04 1 637 62 62 PHE HA H 4.5900 0.04 1 638 62 62 PHE HB2 H 2.7300 0.04 2 639 62 62 PHE HB3 H 3.0300 0.04 2 640 62 62 PHE HD1 H 7.4000 0.04 3 641 62 62 PHE HD2 H 7.4000 0.04 3 642 62 62 PHE HE1 H 7.1800 0.04 3 643 62 62 PHE HE2 H 7.1800 0.04 3 644 62 62 PHE HZ H 7.0800 0.04 1 645 62 62 PHE CA C 57.4000 0.4 1 646 62 62 PHE CB C 38.4000 0.4 1 647 62 62 PHE CD1 C 131.7200 0.4 2 648 62 62 PHE CD2 C 131.7200 0.4 2 649 62 62 PHE CE1 C 131.2600 0.4 2 650 62 62 PHE CE2 C 131.2600 0.4 2 651 62 62 PHE N N 123.7000 0.4 1 652 63 63 PRO HA H 4.4100 0.04 1 653 63 63 PRO HB2 H 1.9400 0.04 2 654 63 63 PRO HB3 H 2.3600 0.04 2 655 63 63 PRO HG3 H 2.1600 0.04 2 656 63 63 PRO HD2 H 3.8400 0.04 2 657 63 63 PRO HD3 H 3.9500 0.04 2 658 63 63 PRO C C 176.4000 0.4 1 659 63 63 PRO CA C 62.6000 0.4 1 660 63 63 PRO CB C 31.8600 0.4 1 661 63 63 PRO CG C 27.5700 0.4 1 662 63 63 PRO CD C 50.5000 0.4 1 663 64 64 ARG H H 8.8900 0.04 1 664 64 64 ARG HA H 4.1000 0.04 1 665 64 64 ARG HB3 H 1.8800 0.04 2 666 64 64 ARG HG3 H 1.6500 0.04 2 667 64 64 ARG HD2 H 3.2700 0.04 2 668 64 64 ARG HD3 H 3.3400 0.04 2 669 64 64 ARG CA C 55.6100 0.4 1 670 64 64 ARG CB C 28.8300 0.4 1 671 64 64 ARG CG C 27.2200 0.4 1 672 64 64 ARG CD C 43.4000 0.4 1 673 64 64 ARG N N 116.8400 0.4 1 674 65 65 PRO HA H 3.9900 0.04 1 675 65 65 PRO HB2 H 2.0000 0.04 2 676 65 65 PRO HB3 H 2.2300 0.04 2 677 65 65 PRO HG2 H 1.9200 0.04 2 678 65 65 PRO HG3 H 2.1000 0.04 2 679 65 65 PRO HD2 H 3.6600 0.04 2 680 65 65 PRO HD3 H 3.9500 0.04 2 681 65 65 PRO C C 175.8000 0.4 1 682 65 65 PRO CA C 65.8100 0.4 1 683 65 65 PRO CB C 31.8800 0.4 1 684 65 65 PRO CG C 27.3600 0.4 1 685 65 65 PRO CD C 49.9000 0.4 1 686 66 66 LYS H H 7.6300 0.04 1 687 66 66 LYS HA H 4.6100 0.04 1 688 66 66 LYS HB2 H 1.6100 0.04 2 689 66 66 LYS HB3 H 1.7100 0.04 2 690 66 66 LYS HG2 H 0.9500 0.04 2 691 66 66 LYS HG3 H 1.0200 0.04 2 692 66 66 LYS HD3 H 1.6160 0.04 2 693 66 66 LYS HE3 H 2.8900 0.04 2 694 66 66 LYS C C 175.4000 0.4 1 695 66 66 LYS CA C 55.4530 0.4 1 696 66 66 LYS CB C 31.7300 0.4 1 697 66 66 LYS CG C 25.5900 0.4 1 698 66 66 LYS CD C 29.3200 0.4 1 699 66 66 LYS CE C 41.7500 0.4 1 700 66 66 LYS N N 119.0350 0.4 1 701 67 67 ARG H H 8.8550 0.04 1 702 67 67 ARG HA H 4.7400 0.04 1 703 67 67 ARG HB2 H 1.8500 0.04 2 704 67 67 ARG HB3 H 2.1700 0.04 2 705 67 67 ARG HG3 H 1.7400 0.04 2 706 67 67 ARG HD3 H 3.2400 0.04 2 707 67 67 ARG C C 174.5000 0.4 1 708 67 67 ARG CA C 52.8000 0.4 1 709 67 67 ARG CB C 29.7140 0.4 1 710 67 67 ARG CG C 26.0400 0.4 1 711 67 67 ARG CD C 41.7000 0.4 1 712 67 67 ARG N N 127.3940 0.4 1 713 68 68 VAL H H 8.6810 0.04 1 714 68 68 VAL HA H 4.5800 0.04 1 715 68 68 VAL HB H 2.0600 0.04 1 716 68 68 VAL HG1 H 0.9100 0.04 2 717 68 68 VAL HG2 H 0.8300 0.04 2 718 68 68 VAL C C 176.8500 0.4 1 719 68 68 VAL CA C 62.0730 0.4 1 720 68 68 VAL CB C 33.6040 0.4 1 721 68 68 VAL CG1 C 21.6600 0.4 1 722 68 68 VAL CG2 C 21.4000 0.4 1 723 68 68 VAL N N 124.3880 0.4 1 724 69 69 CYS H H 9.4550 0.04 1 725 69 69 CYS HA H 5.0700 0.04 1 726 69 69 CYS HB2 H 3.1500 0.04 2 727 69 69 CYS HB3 H 3.3700 0.04 2 728 69 69 CYS CA C 58.3460 0.4 1 729 69 69 CYS CB C 30.1700 0.4 1 730 69 69 CYS N N 127.0800 0.4 1 731 70 70 LYS H H 9.0500 0.04 1 732 70 70 LYS HA H 4.4900 0.04 1 733 70 70 LYS HB2 H 1.8300 0.04 2 734 70 70 LYS HB3 H 1.9600 0.04 2 735 70 70 LYS HG2 H 1.3800 0.04 2 736 70 70 LYS HG3 H 1.5300 0.04 2 737 70 70 LYS HD3 H 1.7200 0.04 2 738 70 70 LYS HE3 H 2.9800 0.04 2 739 70 70 LYS C C 174.3000 0.4 1 740 70 70 LYS CA C 57.3600 0.4 1 741 70 70 LYS CB C 33.1700 0.4 1 742 70 70 LYS CG C 25.5900 0.4 1 743 70 70 LYS CD C 29.0400 0.4 1 744 70 70 LYS CE C 41.5500 0.4 1 745 70 70 LYS N N 125.4800 0.4 1 746 71 71 ASP H H 7.6200 0.04 1 747 71 71 ASP HA H 5.1000 0.04 1 748 71 71 ASP HB2 H 2.2000 0.04 2 749 71 71 ASP HB3 H 2.6200 0.04 2 750 71 71 ASP CA C 51.0800 0.4 1 751 71 71 ASP CB C 43.3800 0.4 1 752 71 71 ASP N N 116.9400 0.4 1 753 72 72 PRO HA H 3.2600 0.04 1 754 72 72 PRO HB2 H 1.6400 0.04 2 755 72 72 PRO HB3 H 1.8400 0.04 2 756 72 72 PRO HG3 H 1.8600 0.04 2 757 72 72 PRO HD2 H 3.5600 0.04 2 758 72 72 PRO HD3 H 3.6100 0.04 2 759 72 72 PRO CA C 60.6500 0.4 1 760 72 72 PRO CB C 30.0400 0.4 1 761 72 72 PRO CG C 26.6400 0.4 1 762 72 72 PRO CD C 49.9200 0.4 1 763 73 73 PRO HA H 4.1000 0.04 1 764 73 73 PRO HB2 H 1.8400 0.04 2 765 73 73 PRO HB3 H 2.3300 0.04 2 766 73 73 PRO HG3 H 1.9000 0.04 2 767 73 73 PRO HD2 H 3.3950 0.04 2 768 73 73 PRO HD3 H 3.6100 0.04 2 769 73 73 PRO C C 174.7000 0.4 1 770 73 73 PRO CA C 61.6900 0.4 1 771 73 73 PRO CB C 34.0400 0.4 1 772 73 73 PRO CG C 24.8000 0.4 1 773 73 73 PRO CD C 50.1800 0.4 1 774 74 74 TYR H H 8.9600 0.04 1 775 74 74 TYR HA H 4.8500 0.04 1 776 74 74 TYR HB2 H 2.6600 0.04 2 777 74 74 TYR HB3 H 4.1080 0.04 2 778 74 74 TYR HD1 H 7.0600 0.04 3 779 74 74 TYR HD2 H 7.0600 0.04 3 780 74 74 TYR HE1 H 6.3100 0.04 3 781 74 74 TYR HE2 H 6.3100 0.04 3 782 74 74 TYR C C 172.9000 0.4 1 783 74 74 TYR CA C 55.6700 0.4 1 784 74 74 TYR CB C 35.4000 0.4 1 785 74 74 TYR CD1 C 133.4000 0.4 2 786 74 74 TYR CD2 C 133.4000 0.4 2 787 74 74 TYR CE1 C 117.1700 0.4 2 788 74 74 TYR CE2 C 117.1700 0.4 2 789 74 74 TYR N N 125.4000 0.4 1 790 75 75 LYS H H 7.6700 0.04 1 791 75 75 LYS HA H 5.5900 0.04 1 792 75 75 LYS HB2 H 1.7700 0.04 2 793 75 75 LYS HB3 H 1.8700 0.04 2 794 75 75 LYS HG3 H 1.2400 0.04 2 795 75 75 LYS HD2 H 1.5200 0.04 2 796 75 75 LYS HD3 H 1.5800 0.04 2 797 75 75 LYS HE3 H 2.8500 0.04 2 798 75 75 LYS C C 173.8000 0.4 1 799 75 75 LYS CA C 54.6500 0.4 1 800 75 75 LYS CB C 35.8900 0.4 1 801 75 75 LYS CG C 23.2300 0.4 1 802 75 75 LYS CD C 30.0400 0.4 1 803 75 75 LYS CE C 41.8000 0.4 1 804 75 75 LYS N N 121.4000 0.4 1 805 76 76 VAL H H 8.1800 0.04 1 806 76 76 VAL HA H 3.8900 0.04 1 807 76 76 VAL HB H 1.4500 0.04 1 808 76 76 VAL HG1 H 0.7100 0.04 2 809 76 76 VAL HG2 H 0.2800 0.04 2 810 76 76 VAL C C 173.9000 0.4 1 811 76 76 VAL CA C 61.7300 0.4 1 812 76 76 VAL CB C 35.5400 0.4 1 813 76 76 VAL CG1 C 22.0000 0.4 1 814 76 76 VAL CG2 C 21.6000 0.4 1 815 76 76 VAL N N 119.8000 0.4 1 816 77 77 GLU H H 8.2700 0.04 1 817 77 77 GLU HA H 4.9500 0.04 1 818 77 77 GLU HB2 H 1.7800 0.04 2 819 77 77 GLU HB3 H 1.9500 0.04 2 820 77 77 GLU HG3 H 2.0700 0.04 2 821 77 77 GLU C C 174.7000 0.4 1 822 77 77 GLU CA C 54.9400 0.4 1 823 77 77 GLU CB C 31.5500 0.4 1 824 77 77 GLU CG C 37.2000 0.4 1 825 77 77 GLU N N 126.1900 0.4 1 826 78 78 GLU H H 7.8700 0.04 1 827 78 78 GLU HA H 4.4500 0.04 1 828 78 78 GLU HB2 H -0.6820 0.04 2 829 78 78 GLU HB3 H 1.2700 0.04 2 830 78 78 GLU HG2 H 1.5300 0.04 2 831 78 78 GLU HG3 H 1.8000 0.04 2 832 78 78 GLU C C 175.4000 0.4 1 833 78 78 GLU CA C 54.0000 0.4 1 834 78 78 GLU CB C 37.1000 0.4 1 835 78 78 GLU CG C 36.7000 0.4 1 836 78 78 GLU N N 126.1800 0.4 1 837 79 79 SER H H 7.7140 0.04 1 838 79 79 SER HA H 5.5600 0.04 1 839 79 79 SER HB2 H 3.5600 0.04 2 840 79 79 SER HB3 H 4.1500 0.04 2 841 79 79 SER C C 172.4900 0.4 1 842 79 79 SER CA C 57.7540 0.4 1 843 79 79 SER CB C 65.8610 0.4 1 844 79 79 SER N N 112.1090 0.4 1 845 80 80 GLY H H 8.8280 0.04 1 846 80 80 GLY HA2 H 3.7400 0.04 2 847 80 80 GLY HA3 H 4.4400 0.04 2 848 80 80 GLY C C 172.6300 0.4 1 849 80 80 GLY CA C 45.7000 0.4 1 850 80 80 GLY N N 106.0480 0.4 1 851 81 81 TYR H H 8.7700 0.04 1 852 81 81 TYR HA H 5.6800 0.04 1 853 81 81 TYR HB2 H 3.0800 0.04 2 854 81 81 TYR HB3 H 3.7000 0.04 2 855 81 81 TYR HD1 H 6.9400 0.04 3 856 81 81 TYR HD2 H 6.9400 0.04 3 857 81 81 TYR HE1 H 6.7400 0.04 3 858 81 81 TYR HE2 H 6.7400 0.04 3 859 81 81 TYR C C 174.1000 0.4 1 860 81 81 TYR CA C 55.5000 0.4 1 861 81 81 TYR CB C 41.0000 0.4 1 862 81 81 TYR CD1 C 133.5000 0.4 2 863 81 81 TYR CD2 C 133.5000 0.4 2 864 81 81 TYR CE1 C 118.0000 0.4 2 865 81 81 TYR CE2 C 118.0000 0.4 2 866 81 81 TYR N N 115.2800 0.4 1 867 82 82 ALA H H 7.1600 0.04 1 868 82 82 ALA HA H 4.4400 0.04 1 869 82 82 ALA HB H 0.9700 0.04 1 870 82 82 ALA CA C 51.0400 0.4 1 871 82 82 ALA CB C 22.4000 0.4 1 872 82 82 ALA N N 122.3500 0.4 1 873 83 83 GLY H H 8.2200 0.04 1 874 83 83 GLY HA2 H 3.9000 0.04 2 875 83 83 GLY HA3 H 4.1700 0.04 2 876 83 83 GLY C C 172.5000 0.4 1 877 83 83 GLY CA C 44.6100 0.4 1 878 83 83 GLY N N 107.1000 0.4 1 879 84 84 PHE H H 7.7000 0.04 1 880 84 84 PHE HA H 4.6900 0.04 1 881 84 84 PHE HB2 H 3.0700 0.04 2 882 84 84 PHE HB3 H 3.4100 0.04 2 883 84 84 PHE HD1 H 7.2300 0.04 3 884 84 84 PHE HD2 H 7.2300 0.04 3 885 84 84 PHE HE1 H 7.4400 0.04 3 886 84 84 PHE HE2 H 7.4400 0.04 3 887 84 84 PHE HZ H 7.0400 0.04 1 888 84 84 PHE C C 172.4600 0.4 1 889 84 84 PHE CA C 56.5000 0.4 1 890 84 84 PHE CB C 38.5800 0.4 1 891 84 84 PHE CD1 C 133.9000 0.4 2 892 84 84 PHE CD2 C 133.9000 0.4 2 893 84 84 PHE CE1 C 130.9500 0.4 2 894 84 84 PHE CE2 C 130.9500 0.4 2 895 84 84 PHE CZ C 129.0900 0.4 1 896 84 84 PHE N N 111.6600 0.4 1 897 85 85 ILE H H 8.3400 0.04 1 898 85 85 ILE HA H 4.3100 0.04 1 899 85 85 ILE HB H 2.0000 0.04 1 900 85 85 ILE HG12 H 1.3200 0.04 1 901 85 85 ILE HG13 H 1.4000 0.04 1 902 85 85 ILE HG2 H 0.6400 0.04 1 903 85 85 ILE HD1 H 0.5500 0.04 1 904 85 85 ILE CA C 59.3400 0.4 1 905 85 85 ILE CB C 35.2600 0.4 1 906 85 85 ILE CG1 C 26.6400 0.4 1 907 85 85 ILE CG2 C 16.9600 0.4 1 908 85 85 ILE CD1 C 9.3700 0.4 1 909 85 85 ILE N N 117.8100 0.4 1 910 86 86 LEU H H 9.9000 0.04 1 911 86 86 LEU HA H 4.9800 0.04 1 912 86 86 LEU HB2 H 1.2200 0.04 2 913 86 86 LEU HB3 H 2.0800 0.04 2 914 86 86 LEU HG H 1.8900 0.04 1 915 86 86 LEU HD1 H 0.7300 0.04 2 916 86 86 LEU HD2 H 0.9100 0.04 2 917 86 86 LEU CA C 53.2000 0.4 1 918 86 86 LEU CB C 45.3000 0.4 1 919 86 86 LEU CG C 29.3000 0.4 1 920 86 86 LEU CD1 C 27.5300 0.4 1 921 86 86 LEU CD2 C 27.3000 0.4 1 922 86 86 LEU N N 108.1300 0.4 1 923 87 87 PRO HA H 5.1000 0.04 1 924 87 87 PRO HB2 H 1.7500 0.04 2 925 87 87 PRO HB3 H 2.0500 0.04 2 926 87 87 PRO HG2 H 1.8200 0.04 2 927 87 87 PRO HG3 H 2.0400 0.04 2 928 87 87 PRO HD2 H 4.2400 0.04 2 929 87 87 PRO HD3 H 4.5400 0.04 2 930 87 87 PRO C C 175.3400 0.4 1 931 87 87 PRO CA C 63.1100 0.4 1 932 87 87 PRO CB C 31.5600 0.4 1 933 87 87 PRO CG C 28.5800 0.4 1 934 87 87 PRO CD C 50.9000 0.4 1 935 88 88 ILE H H 9.3800 0.04 1 936 88 88 ILE HA H 4.7900 0.04 1 937 88 88 ILE HB H 1.6200 0.04 1 938 88 88 ILE HG12 H 0.7500 0.04 1 939 88 88 ILE HG13 H 2.2400 0.04 1 940 88 88 ILE HG2 H 0.2970 0.04 1 941 88 88 ILE HD1 H 0.5880 0.04 1 942 88 88 ILE C C 176.1000 0.4 1 943 88 88 ILE CA C 60.5600 0.4 1 944 88 88 ILE CB C 42.0000 0.4 1 945 88 88 ILE CG1 C 27.8000 0.4 1 946 88 88 ILE CG2 C 16.9000 0.4 1 947 88 88 ILE CD1 C 14.0600 0.4 1 948 88 88 ILE N N 126.0000 0.4 1 949 89 89 GLU H H 9.3200 0.04 1 950 89 89 GLU HA H 5.2000 0.04 1 951 89 89 GLU HB2 H 1.6600 0.04 2 952 89 89 GLU HB3 H 2.2200 0.04 2 953 89 89 GLU HG2 H 1.8100 0.04 2 954 89 89 GLU HG3 H 2.1400 0.04 2 955 89 89 GLU C C 173.8000 0.4 1 956 89 89 GLU CA C 53.9700 0.4 1 957 89 89 GLU CB C 34.3800 0.4 1 958 89 89 GLU CG C 37.9700 0.4 1 959 89 89 GLU N N 123.9000 0.4 1 960 90 90 VAL H H 8.6300 0.04 1 961 90 90 VAL HA H 4.1600 0.04 1 962 90 90 VAL HB H 1.8300 0.04 1 963 90 90 VAL HG1 H 0.5700 0.04 2 964 90 90 VAL HG2 H 0.8200 0.04 2 965 90 90 VAL C C 174.8000 0.4 1 966 90 90 VAL CA C 61.3900 0.4 1 967 90 90 VAL CB C 32.4900 0.4 1 968 90 90 VAL CG1 C 22.2000 0.4 1 969 90 90 VAL CG2 C 20.6000 0.4 1 970 90 90 VAL N N 123.9800 0.4 1 971 91 91 TYR H H 8.6400 0.04 1 972 91 91 TYR HA H 4.6600 0.04 1 973 91 91 TYR HB3 H 2.9800 0.04 2 974 91 91 TYR HD1 H 6.9900 0.04 3 975 91 91 TYR HD2 H 6.9900 0.04 3 976 91 91 TYR HE1 H 6.7100 0.04 3 977 91 91 TYR HE2 H 6.7100 0.04 3 978 91 91 TYR C C 176.8000 0.4 1 979 91 91 TYR CA C 56.7000 0.4 1 980 91 91 TYR CB C 40.2400 0.4 1 981 91 91 TYR CD1 C 133.1800 0.4 2 982 91 91 TYR CD2 C 133.1800 0.4 2 983 91 91 TYR CE1 C 118.9300 0.4 2 984 91 91 TYR CE2 C 118.9300 0.4 2 985 91 91 TYR N N 124.2300 0.4 1 986 92 92 PHE H H 8.7500 0.04 1 987 92 92 PHE HA H 5.6600 0.04 1 988 92 92 PHE HB2 H 2.8300 0.04 2 989 92 92 PHE HB3 H 3.4200 0.04 2 990 92 92 PHE HD1 H 7.4500 0.04 3 991 92 92 PHE HD2 H 7.4500 0.04 3 992 92 92 PHE HE1 H 7.1900 0.04 3 993 92 92 PHE HE2 H 7.1900 0.04 3 994 92 92 PHE HZ H 7.2100 0.04 1 995 92 92 PHE CA C 56.5100 0.4 1 996 92 92 PHE CB C 42.0000 0.4 1 997 92 92 PHE CD1 C 131.6000 0.4 2 998 92 92 PHE CD2 C 131.6000 0.4 2 999 92 92 PHE CE1 C 130.5500 0.4 2 1000 92 92 PHE CE2 C 130.5500 0.4 2 1001 92 92 PHE CZ C 129.7000 0.4 1 1002 92 92 PHE N N 121.2000 0.4 1 1003 93 93 LYS H H 8.5600 0.04 1 1004 93 93 LYS HA H 4.6000 0.04 1 1005 93 93 LYS HB2 H 1.6100 0.04 2 1006 93 93 LYS HB3 H 2.1300 0.04 2 1007 93 93 LYS HG2 H 1.1000 0.04 2 1008 93 93 LYS HG3 H 1.3700 0.04 2 1009 93 93 LYS HD2 H 1.5500 0.04 2 1010 93 93 LYS HD3 H 1.7100 0.04 2 1011 93 93 LYS HE2 H 3.0200 0.04 2 1012 93 93 LYS HE3 H 3.1800 0.04 2 1013 93 93 LYS C C 174.2000 0.4 1 1014 93 93 LYS CA C 55.1800 0.4 1 1015 93 93 LYS CB C 31.6800 0.4 1 1016 93 93 LYS CG C 25.5400 0.4 1 1017 93 93 LYS CD C 30.1100 0.4 1 1018 93 93 LYS CE C 42.0300 0.4 1 1019 93 93 LYS N N 123.4500 0.4 1 1020 94 94 ASN H H 7.8200 0.04 1 1021 94 94 ASN HA H 4.4400 0.04 1 1022 94 94 ASN HB2 H 1.8200 0.04 2 1023 94 94 ASN HB3 H 1.9000 0.04 2 1024 94 94 ASN CA C 51.2100 0.4 1 1025 94 94 ASN CB C 39.8000 0.4 1 1026 94 94 ASN N N 118.8000 0.4 1 1027 95 95 LYS HA H 4.3300 0.04 1 1028 95 95 LYS HB2 H 1.7500 0.04 2 1029 95 95 LYS HB3 H 1.9300 0.04 2 1030 95 95 LYS HG2 H 1.4000 0.04 2 1031 95 95 LYS HG3 H 1.4400 0.04 2 1032 95 95 LYS HD3 H 1.6900 0.04 2 1033 95 95 LYS HE3 H 2.9800 0.04 2 1034 95 95 LYS C C 175.8000 0.4 1 1035 95 95 LYS CA C 56.2100 0.4 1 1036 95 95 LYS CB C 33.0100 0.4 1 1037 95 95 LYS CG C 25.0700 0.4 1 1038 95 95 LYS CD C 29.1000 0.4 1 1039 95 95 LYS CE C 42.0300 0.4 1 1040 96 96 GLU H H 7.1200 0.04 1 1041 96 96 GLU HA H 4.5100 0.04 1 1042 96 96 GLU HB2 H 1.9000 0.04 2 1043 96 96 GLU HB3 H 2.1400 0.04 2 1044 96 96 GLU HG2 H 2.0200 0.04 2 1045 96 96 GLU HG3 H 2.1500 0.04 2 1046 96 96 GLU C C 173.2000 0.4 1 1047 96 96 GLU CA C 54.1000 0.4 1 1048 96 96 GLU CB C 31.4700 0.4 1 1049 96 96 GLU CG C 35.6900 0.4 1 1050 96 96 GLU N N 118.3300 0.4 1 1051 97 97 GLU H H 8.0600 0.04 1 1052 97 97 GLU HA H 4.4300 0.04 1 1053 97 97 GLU HB2 H 1.8200 0.04 2 1054 97 97 GLU HB3 H 2.0600 0.04 2 1055 97 97 GLU HG2 H 2.3100 0.04 2 1056 97 97 GLU HG3 H 2.4200 0.04 2 1057 97 97 GLU CA C 54.8600 0.4 1 1058 97 97 GLU CB C 29.2700 0.4 1 1059 97 97 GLU CG C 35.5000 0.4 1 1060 97 97 GLU N N 115.6300 0.4 1 1061 98 98 PRO HA H 5.0000 0.04 1 1062 98 98 PRO HB2 H 2.2100 0.04 2 1063 98 98 PRO HB3 H 2.4400 0.04 2 1064 98 98 PRO HG2 H 2.0600 0.04 2 1065 98 98 PRO HG3 H 2.2000 0.04 2 1066 98 98 PRO HD3 H 3.6800 0.04 2 1067 98 98 PRO C C 175.9000 0.4 1 1068 98 98 PRO CA C 62.1600 0.4 1 1069 98 98 PRO CB C 34.0000 0.4 1 1070 98 98 PRO CG C 24.8000 0.4 1 1071 98 98 PRO CD C 50.1000 0.4 1 1072 99 99 ARG H H 8.6020 0.04 1 1073 99 99 ARG HA H 4.6300 0.04 1 1074 99 99 ARG HB2 H 1.8100 0.04 2 1075 99 99 ARG HB3 H 1.9800 0.04 2 1076 99 99 ARG HG2 H 1.5800 0.04 2 1077 99 99 ARG HG3 H 1.6100 0.04 2 1078 99 99 ARG HD2 H 3.0900 0.04 2 1079 99 99 ARG HD3 H 3.3200 0.04 2 1080 99 99 ARG C C 175.8000 0.4 1 1081 99 99 ARG CA C 56.2000 0.4 1 1082 99 99 ARG CB C 30.4100 0.4 1 1083 99 99 ARG CG C 27.4200 0.4 1 1084 99 99 ARG CD C 41.8000 0.4 1 1085 99 99 ARG N N 122.8000 0.4 1 1086 100 100 LYS H H 7.6500 0.04 1 1087 100 100 LYS HA H 4.9400 0.04 1 1088 100 100 LYS HB2 H 0.6000 0.04 2 1089 100 100 LYS HB3 H 0.8600 0.04 2 1090 100 100 LYS HG2 H 0.5400 0.04 2 1091 100 100 LYS HG3 H 0.8800 0.04 2 1092 100 100 LYS HD2 H 0.8000 0.04 2 1093 100 100 LYS HD3 H 0.9800 0.04 2 1094 100 100 LYS HE2 H 2.6400 0.04 2 1095 100 100 LYS HE3 H 2.7300 0.04 2 1096 100 100 LYS C C 174.1000 0.4 1 1097 100 100 LYS CA C 53.3910 0.4 1 1098 100 100 LYS CB C 34.7200 0.4 1 1099 100 100 LYS CG C 22.1900 0.4 1 1100 100 100 LYS CD C 30.0400 0.4 1 1101 100 100 LYS CE C 42.3300 0.4 1 1102 100 100 LYS N N 113.2200 0.4 1 1103 101 101 VAL H H 8.1200 0.04 1 1104 101 101 VAL HA H 4.2700 0.04 1 1105 101 101 VAL HB H 1.8100 0.04 1 1106 101 101 VAL HG1 H 0.8100 0.04 2 1107 101 101 VAL HG2 H 0.6900 0.04 2 1108 101 101 VAL C C 171.6000 0.4 1 1109 101 101 VAL CA C 60.2600 0.4 1 1110 101 101 VAL CB C 35.1800 0.4 1 1111 101 101 VAL CG1 C 21.2000 0.4 1 1112 101 101 VAL CG2 C 20.6000 0.4 1 1113 101 101 VAL N N 116.2300 0.4 1 1114 102 102 ARG H H 7.9300 0.04 1 1115 102 102 ARG HA H 5.1600 0.04 1 1116 102 102 ARG HB2 H 1.4100 0.04 2 1117 102 102 ARG HB3 H 1.5200 0.04 2 1118 102 102 ARG HG3 H 1.2000 0.04 2 1119 102 102 ARG HD2 H 2.9000 0.04 2 1120 102 102 ARG HD3 H 3.0300 0.04 2 1121 102 102 ARG C C 174.3400 0.4 1 1122 102 102 ARG CA C 53.7500 0.4 1 1123 102 102 ARG CB C 33.3500 0.4 1 1124 102 102 ARG CG C 27.6800 0.4 1 1125 102 102 ARG CD C 43.3800 0.4 1 1126 102 102 ARG N N 124.9800 0.4 1 1127 103 103 PHE H H 9.3900 0.04 1 1128 103 103 PHE HA H 4.7920 0.04 1 1129 103 103 PHE HB2 H 2.6100 0.04 2 1130 103 103 PHE HB3 H 2.8800 0.04 2 1131 103 103 PHE HD1 H 7.0400 0.04 3 1132 103 103 PHE HD2 H 7.0400 0.04 3 1133 103 103 PHE HE1 H 7.0800 0.04 3 1134 103 103 PHE HE2 H 7.0800 0.04 3 1135 103 103 PHE HZ H 7.0600 0.04 1 1136 103 103 PHE C C 174.2800 0.4 1 1137 103 103 PHE CA C 55.4800 0.4 1 1138 103 103 PHE CB C 42.2500 0.4 1 1139 103 103 PHE CD1 C 131.9400 0.4 2 1140 103 103 PHE CD2 C 131.9400 0.4 2 1141 103 103 PHE CE1 C 130.5500 0.4 2 1142 103 103 PHE CE2 C 130.5000 0.4 2 1143 103 103 PHE CZ C 128.9000 0.4 1 1144 103 103 PHE N N 124.5900 0.4 1 1145 104 104 ASP H H 9.0100 0.04 1 1146 104 104 ASP HA H 4.7990 0.04 1 1147 104 104 ASP HB2 H 2.1800 0.04 2 1148 104 104 ASP HB3 H 2.5500 0.04 2 1149 104 104 ASP C C 174.5000 0.4 1 1150 104 104 ASP CA C 54.3900 0.4 1 1151 104 104 ASP CB C 40.2300 0.4 1 1152 104 104 ASP N N 124.7000 0.4 1 1153 105 105 TYR H H 8.1400 0.04 1 1154 105 105 TYR HA H 4.0700 0.04 1 1155 105 105 TYR HB2 H 2.4200 0.04 2 1156 105 105 TYR HB3 H 3.5400 0.04 2 1157 105 105 TYR HD1 H 6.4300 0.04 3 1158 105 105 TYR HD2 H 6.4300 0.04 3 1159 105 105 TYR HE1 H 6.0800 0.04 3 1160 105 105 TYR HE2 H 6.0800 0.04 3 1161 105 105 TYR C C 173.1000 0.4 1 1162 105 105 TYR CA C 58.6800 0.4 1 1163 105 105 TYR CB C 41.8500 0.4 1 1164 105 105 TYR CD1 C 131.6000 0.4 2 1165 105 105 TYR CD2 C 131.6000 0.4 2 1166 105 105 TYR CE1 C 117.1700 0.4 2 1167 105 105 TYR CE2 C 117.1700 0.4 2 1168 105 105 TYR N N 129.8400 0.4 1 1169 106 106 ASP H H 7.7300 0.04 1 1170 106 106 ASP HA H 4.2200 0.04 1 1171 106 106 ASP HB2 H 2.1300 0.04 2 1172 106 106 ASP HB3 H 2.5100 0.04 2 1173 106 106 ASP C C 172.9000 0.4 1 1174 106 106 ASP CA C 53.5100 0.4 1 1175 106 106 ASP CB C 39.5000 0.4 1 1176 106 106 ASP N N 126.8000 0.4 1 1177 107 107 LEU H H 7.7700 0.04 1 1178 107 107 LEU HA H 2.8400 0.04 1 1179 107 107 LEU HB2 H 0.1800 0.04 2 1180 107 107 LEU HB3 H 1.1300 0.04 2 1181 107 107 LEU HG H -0.1400 0.04 1 1182 107 107 LEU HD1 H -0.6400 0.04 2 1183 107 107 LEU HD2 H -0.8800 0.04 2 1184 107 107 LEU C C 172.1000 0.4 1 1185 107 107 LEU CA C 53.2000 0.4 1 1186 107 107 LEU CB C 39.2400 0.4 1 1187 107 107 LEU CG C 27.6000 0.4 1 1188 107 107 LEU CD1 C 24.2700 0.4 1 1189 107 107 LEU CD2 C 23.5000 0.4 1 1190 107 107 LEU N N 132.1500 0.4 1 1191 108 108 PHE H H 6.0600 0.04 1 1192 108 108 PHE HA H 4.6900 0.04 1 1193 108 108 PHE HB2 H 2.6400 0.04 2 1194 108 108 PHE HB3 H 2.9500 0.04 2 1195 108 108 PHE HD1 H 6.8160 0.04 3 1196 108 108 PHE HD2 H 6.8160 0.04 3 1197 108 108 PHE HE1 H 6.8800 0.04 3 1198 108 108 PHE HE2 H 6.8800 0.04 3 1199 108 108 PHE HZ H 7.0600 0.04 1 1200 108 108 PHE C C 174.3000 0.4 1 1201 108 108 PHE CA C 54.6900 0.4 1 1202 108 108 PHE CB C 40.2900 0.4 1 1203 108 108 PHE CD1 C 132.9900 0.4 2 1204 108 108 PHE CD2 C 132.9900 0.4 2 1205 108 108 PHE CE1 C 131.9700 0.4 2 1206 108 108 PHE CE2 C 131.9700 0.4 2 1207 108 108 PHE CZ C 130.3500 0.4 1 1208 108 108 PHE N N 118.9600 0.4 1 1209 109 109 LEU H H 8.3880 0.04 1 1210 109 109 LEU HA H 4.4000 0.04 1 1211 109 109 LEU HB2 H 0.7040 0.04 2 1212 109 109 LEU HB3 H 1.1100 0.04 2 1213 109 109 LEU HG H 1.0100 0.04 1 1214 109 109 LEU HD1 H -0.0700 0.04 2 1215 109 109 LEU HD2 H 0.2380 0.04 2 1216 109 109 LEU CA C 52.1600 0.4 1 1217 109 109 LEU CB C 43.0800 0.4 1 1218 109 109 LEU CG C 26.5000 0.4 1 1219 109 109 LEU CD1 C 23.0000 0.4 1 1220 109 109 LEU CD2 C 22.2000 0.4 1 1221 109 109 LEU N N 118.9000 0.4 1 1222 110 110 HIS HE1 H 7.9500 0.04 1 1223 110 110 HIS CE1 C 139.0100 0.4 1 1224 111 111 LEU HA H 4.4400 0.04 1 1225 111 111 LEU HB2 H 1.4200 0.04 2 1226 111 111 LEU HB3 H 1.6600 0.04 2 1227 111 111 LEU HG H 1.4600 0.04 1 1228 111 111 LEU HD1 H 0.8100 0.04 2 1229 111 111 LEU HD2 H 0.9650 0.04 2 1230 111 111 LEU C C 177.3000 0.4 1 1231 111 111 LEU CA C 54.2200 0.4 1 1232 111 111 LEU CB C 43.8700 0.4 1 1233 111 111 LEU CG C 27.3000 0.4 1 1234 111 111 LEU CD1 C 25.3300 0.4 1 1235 111 111 LEU CD2 C 22.8900 0.4 1 1236 112 112 GLU H H 8.7800 0.04 1 1237 112 112 GLU HA H 4.1700 0.04 1 1238 112 112 GLU HB2 H 2.0300 0.04 2 1239 112 112 GLU HB3 H 2.0900 0.04 2 1240 112 112 GLU HG3 H 2.3100 0.04 2 1241 112 112 GLU CA C 58.4600 0.4 1 1242 112 112 GLU CB C 29.1900 0.4 1 1243 112 112 GLU CG C 36.0900 0.4 1 1244 112 112 GLU N N 120.6600 0.4 1 1245 113 113 GLY HA2 H 3.6800 0.04 2 1246 113 113 GLY HA3 H 4.3000 0.04 2 1247 113 113 GLY C C 173.9000 0.4 1 1248 113 113 GLY CA C 44.9500 0.4 1 1249 114 114 HIS H H 7.9340 0.04 1 1250 114 114 HIS HA H 4.9060 0.04 1 1251 114 114 HIS HB2 H 3.1400 0.04 2 1252 114 114 HIS HB3 H 3.2870 0.04 2 1253 114 114 HIS HD2 H 6.8900 0.04 1 1254 114 114 HIS CA C 54.7700 0.4 1 1255 114 114 HIS CB C 30.5900 0.4 1 1256 114 114 HIS CD2 C 110.5800 0.4 1 1257 114 114 HIS N N 120.8900 0.4 1 1258 115 115 PRO HA H 4.8000 0.04 1 1259 115 115 PRO HB2 H 1.9800 0.04 2 1260 115 115 PRO HB3 H 2.5500 0.04 2 1261 115 115 PRO HG2 H 2.1000 0.04 2 1262 115 115 PRO HG3 H 2.1600 0.04 2 1263 115 115 PRO HD2 H 3.6700 0.04 2 1264 115 115 PRO HD3 H 3.9100 0.04 2 1265 115 115 PRO CA C 62.0900 0.4 1 1266 115 115 PRO CB C 30.6800 0.4 1 1267 115 115 PRO CG C 27.8000 0.4 1 1268 115 115 PRO CD C 50.6700 0.4 1 1269 116 116 PRO HA H 4.2100 0.04 1 1270 116 116 PRO HB2 H 1.9600 0.04 2 1271 116 116 PRO HB3 H 2.4500 0.04 2 1272 116 116 PRO HG2 H 2.1000 0.04 2 1273 116 116 PRO HG3 H 2.1600 0.04 2 1274 116 116 PRO HD2 H 3.7000 0.04 2 1275 116 116 PRO HD3 H 3.8800 0.04 2 1276 116 116 PRO C C 176.6000 0.4 1 1277 116 116 PRO CB C 32.3000 0.4 1 1278 116 116 PRO CG C 27.5700 0.4 1 1279 116 116 PRO CD C 50.1600 0.4 1 1280 117 117 VAL H H 8.8900 0.04 1 1281 117 117 VAL HA H 3.7900 0.04 1 1282 117 117 VAL HB H 1.7100 0.04 1 1283 117 117 VAL HG1 H 0.1800 0.04 2 1284 117 117 VAL HG2 H 0.6100 0.04 2 1285 117 117 VAL CA C 62.7000 0.4 1 1286 117 117 VAL CB C 33.2000 0.4 1 1287 117 117 VAL CG1 C 21.7000 0.4 1 1288 117 117 VAL CG2 C 21.4000 0.4 1 1289 117 117 VAL N N 127.4800 0.4 1 1290 118 118 ASN HA H 4.9900 0.04 1 1291 118 118 ASN HB2 H 2.6300 0.04 2 1292 118 118 ASN HB3 H 2.8700 0.04 2 1293 118 118 ASN HD21 H 7.5680 0.04 2 1294 118 118 ASN HD22 H 6.7760 0.04 2 1295 118 118 ASN C C 172.7000 0.4 1 1296 118 118 ASN CA C 53.3600 0.4 1 1297 118 118 ASN CB C 39.2000 0.4 1 1298 118 118 ASN ND2 N 111.6400 0.4 1 1299 119 119 HIS H H 8.7900 0.04 1 1300 119 119 HIS HA H 4.8200 0.04 1 1301 119 119 HIS HB2 H 2.5400 0.04 2 1302 119 119 HIS HB3 H 3.0400 0.04 2 1303 119 119 HIS C C 173.5000 0.4 1 1304 119 119 HIS CA C 56.9700 0.4 1 1305 119 119 HIS CB C 34.2700 0.4 1 1306 119 119 HIS N N 124.9300 0.4 1 1307 120 120 LEU H H 7.4600 0.04 1 1308 120 120 LEU HA H 4.9500 0.04 1 1309 120 120 LEU HB2 H 1.3700 0.04 2 1310 120 120 LEU HB3 H 1.6200 0.04 2 1311 120 120 LEU HG H 1.4500 0.04 1 1312 120 120 LEU HD1 H 0.8400 0.04 2 1313 120 120 LEU HD2 H 0.9500 0.04 2 1314 120 120 LEU C C 174.0300 0.4 1 1315 120 120 LEU CA C 54.0000 0.4 1 1316 120 120 LEU CB C 46.6000 0.4 1 1317 120 120 LEU CG C 27.1600 0.4 1 1318 120 120 LEU CD1 C 25.4200 0.4 1 1319 120 120 LEU CD2 C 24.2600 0.4 1 1320 120 120 LEU N N 128.2800 0.4 1 1321 121 121 ARG H H 9.8600 0.04 1 1322 121 121 ARG HA H 4.6400 0.04 1 1323 121 121 ARG HB2 H 1.9100 0.04 2 1324 121 121 ARG HB3 H 2.0900 0.04 2 1325 121 121 ARG HG2 H 1.5300 0.04 2 1326 121 121 ARG HG3 H 1.8700 0.04 2 1327 121 121 ARG HD2 H 2.9900 0.04 2 1328 121 121 ARG HD3 H 3.5200 0.04 2 1329 121 121 ARG C C 173.4000 0.4 1 1330 121 121 ARG CA C 54.3600 0.4 1 1331 121 121 ARG CB C 34.2600 0.4 1 1332 121 121 ARG CG C 26.3700 0.4 1 1333 121 121 ARG CD C 44.4000 0.4 1 1334 121 121 ARG N N 128.0600 0.4 1 1335 122 122 CYS H H 8.8350 0.04 1 1336 122 122 CYS HA H 5.0200 0.04 1 1337 122 122 CYS HB2 H 2.8800 0.04 2 1338 122 122 CYS HB3 H 2.9500 0.04 2 1339 122 122 CYS C C 174.6000 0.4 1 1340 122 122 CYS CA C 58.2900 0.4 1 1341 122 122 CYS CB C 28.0300 0.4 1 1342 122 122 CYS N N 125.2900 0.4 1 1343 123 123 GLU H H 8.9700 0.04 1 1344 123 123 GLU HA H 4.6800 0.04 1 1345 123 123 GLU HB2 H 1.2100 0.04 2 1346 123 123 GLU HB3 H 2.0300 0.04 2 1347 123 123 GLU HG2 H 1.4700 0.04 2 1348 123 123 GLU HG3 H 1.7600 0.04 2 1349 123 123 GLU C C 174.5000 0.4 1 1350 123 123 GLU CA C 54.4200 0.4 1 1351 123 123 GLU CB C 32.5830 0.4 1 1352 123 123 GLU CG C 34.6700 0.4 1 1353 123 123 GLU N N 125.9200 0.4 1 1354 124 124 LYS H H 8.6520 0.04 1 1355 124 124 LYS HA H 4.9600 0.04 1 1356 124 124 LYS HB3 H 1.6500 0.04 2 1357 124 124 LYS HG2 H 1.2100 0.04 2 1358 124 124 LYS HG3 H 1.3800 0.04 2 1359 124 124 LYS HD3 H 1.6100 0.04 2 1360 124 124 LYS HE3 H 2.8800 0.04 2 1361 124 124 LYS C C 175.7000 0.4 1 1362 124 124 LYS CA C 55.3570 0.4 1 1363 124 124 LYS CB C 34.1890 0.4 1 1364 124 124 LYS CG C 25.0800 0.4 1 1365 124 124 LYS CD C 29.1500 0.4 1 1366 124 124 LYS CE C 41.8000 0.4 1 1367 124 124 LYS N N 121.8370 0.4 1 1368 125 125 LEU H H 9.1750 0.04 1 1369 125 125 LEU HA H 4.6500 0.04 1 1370 125 125 LEU HB2 H 1.1100 0.04 2 1371 125 125 LEU HB3 H 1.5800 0.04 2 1372 125 125 LEU HG H 1.6700 0.04 1 1373 125 125 LEU HD1 H 1.0700 0.04 2 1374 125 125 LEU HD2 H 1.0500 0.04 2 1375 125 125 LEU C C 175.1100 0.4 1 1376 125 125 LEU CA C 53.8540 0.4 1 1377 125 125 LEU CB C 44.2670 0.4 1 1378 125 125 LEU CG C 27.4000 0.4 1 1379 125 125 LEU CD1 C 26.3000 0.4 1 1380 125 125 LEU CD2 C 24.8100 0.4 1 1381 125 125 LEU N N 127.0000 0.4 1 1382 126 126 THR H H 8.3310 0.04 1 1383 126 126 THR HA H 4.6500 0.04 1 1384 126 126 THR HB H 3.7700 0.04 1 1385 126 126 THR HG2 H 0.9400 0.04 1 1386 126 126 THR C C 173.2000 0.4 1 1387 126 126 THR CA C 62.0360 0.4 1 1388 126 126 THR CB C 70.2840 0.4 1 1389 126 126 THR CG2 C 21.7600 0.4 1 1390 126 126 THR N N 117.7790 0.4 1 1391 127 127 PHE H H 9.0510 0.04 1 1392 127 127 PHE HA H 4.5900 0.04 1 1393 127 127 PHE HB2 H 2.6500 0.04 2 1394 127 127 PHE HB3 H 2.9500 0.04 2 1395 127 127 PHE HD1 H 6.9800 0.04 3 1396 127 127 PHE HD2 H 6.9800 0.04 3 1397 127 127 PHE HE1 H 6.6400 0.04 3 1398 127 127 PHE HE2 H 6.6400 0.04 3 1399 127 127 PHE HZ H 5.8900 0.04 1 1400 127 127 PHE C C 174.8600 0.4 1 1401 127 127 PHE CA C 56.8640 0.4 1 1402 127 127 PHE CB C 39.0000 0.4 1 1403 127 127 PHE CD1 C 132.2100 0.4 2 1404 127 127 PHE CD2 C 132.2100 0.4 2 1405 127 127 PHE CE1 C 130.6500 0.4 2 1406 127 127 PHE CE2 C 130.6500 0.4 2 1407 127 127 PHE CZ C 128.7000 0.4 1 1408 127 127 PHE N N 126.5760 0.4 1 1409 128 128 ASN H H 8.8800 0.04 1 1410 128 128 ASN HA H 4.6200 0.04 1 1411 128 128 ASN HB3 H 2.6700 0.04 2 1412 128 128 ASN HD21 H 7.5400 0.04 2 1413 128 128 ASN HD22 H 6.8400 0.04 2 1414 128 128 ASN CA C 54.4800 0.4 1 1415 128 128 ASN CB C 39.4600 0.4 1 1416 128 128 ASN N N 123.0400 0.4 1 1417 128 128 ASN ND2 N 112.7400 0.4 1 1418 129 129 ASN HA H 4.7600 0.04 1 1419 129 129 ASN HB2 H 2.6500 0.04 2 1420 129 129 ASN HB3 H 2.8500 0.04 2 1421 129 129 ASN HD21 H 7.6000 0.04 2 1422 129 129 ASN HD22 H 6.8000 0.04 2 1423 129 129 ASN CA C 52.9000 0.4 1 1424 129 129 ASN CB C 38.7300 0.4 1 1425 129 129 ASN ND2 N 112.3400 0.4 1 1426 130 130 PRO HA H 4.7900 0.04 1 1427 130 130 PRO HB2 H 1.9700 0.04 2 1428 130 130 PRO HB3 H 2.0500 0.04 2 1429 130 130 PRO HG3 H 1.6100 0.04 2 1430 130 130 PRO HD2 H 3.4100 0.04 2 1431 130 130 PRO HD3 H 3.7000 0.04 2 1432 130 130 PRO C C 177.4700 0.4 1 1433 130 130 PRO CA C 62.5740 0.4 1 1434 130 130 PRO CB C 32.3100 0.4 1 1435 130 130 PRO CG C 27.0600 0.4 1 1436 130 130 PRO CD C 50.1500 0.4 1 1437 131 131 THR H H 8.9500 0.04 1 1438 131 131 THR HA H 4.3000 0.04 1 1439 131 131 THR HB H 4.6700 0.04 1 1440 131 131 THR HG2 H 1.4500 0.04 1 1441 131 131 THR C C 175.2000 0.4 1 1442 131 131 THR CA C 62.2000 0.4 1 1443 131 131 THR CB C 70.6000 0.4 1 1444 131 131 THR CG2 C 22.1900 0.4 1 1445 131 131 THR N N 113.4000 0.4 1 1446 132 132 GLU H H 8.9320 0.04 1 1447 132 132 GLU HA H 4.0100 0.04 1 1448 132 132 GLU HB2 H 2.0100 0.04 2 1449 132 132 GLU HB3 H 2.1100 0.04 2 1450 132 132 GLU HG3 H 2.3300 0.04 2 1451 132 132 GLU C C 178.7000 0.4 1 1452 132 132 GLU CA C 60.2940 0.4 1 1453 132 132 GLU CB C 29.1610 0.4 1 1454 132 132 GLU CG C 35.7900 0.4 1 1455 132 132 GLU N N 122.1990 0.4 1 1456 133 133 ASP H H 8.4900 0.04 1 1457 133 133 ASP HA H 4.3300 0.04 1 1458 133 133 ASP HB2 H 2.5700 0.04 2 1459 133 133 ASP HB3 H 2.7100 0.04 2 1460 133 133 ASP C C 177.8000 0.4 1 1461 133 133 ASP CA C 57.3600 0.4 1 1462 133 133 ASP CB C 41.8230 0.4 1 1463 133 133 ASP N N 116.3240 0.4 1 1464 134 134 PHE H H 7.7870 0.04 1 1465 134 134 PHE HA H 4.6100 0.04 1 1466 134 134 PHE HB2 H 2.8700 0.04 2 1467 134 134 PHE HB3 H 3.3100 0.04 2 1468 134 134 PHE HD1 H 7.0800 0.04 3 1469 134 134 PHE HD2 H 7.0800 0.04 3 1470 134 134 PHE HE1 H 6.5200 0.04 3 1471 134 134 PHE HE2 H 6.5200 0.04 3 1472 134 134 PHE HZ H 6.1700 0.04 1 1473 134 134 PHE C C 177.3000 0.4 1 1474 134 134 PHE CA C 59.5380 0.4 1 1475 134 134 PHE CB C 39.2000 0.4 1 1476 134 134 PHE CD1 C 131.8000 0.4 2 1477 134 134 PHE CD2 C 131.8000 0.4 2 1478 134 134 PHE CE1 C 130.7500 0.4 2 1479 134 134 PHE CE2 C 130.7500 0.4 2 1480 134 134 PHE CZ C 128.9000 0.4 1 1481 134 134 PHE N N 119.9140 0.4 1 1482 135 135 ARG H H 9.0870 0.04 1 1483 135 135 ARG HA H 3.3500 0.04 1 1484 135 135 ARG HB2 H 1.6700 0.04 2 1485 135 135 ARG HB3 H 1.8600 0.04 2 1486 135 135 ARG HG2 H 1.3300 0.04 2 1487 135 135 ARG HG3 H 1.4500 0.04 2 1488 135 135 ARG HD2 H 3.1500 0.04 2 1489 135 135 ARG HD3 H 3.2600 0.04 2 1490 135 135 ARG C C 177.3700 0.4 1 1491 135 135 ARG CA C 60.3760 0.4 1 1492 135 135 ARG CB C 30.3960 0.4 1 1493 135 135 ARG CG C 28.1000 0.4 1 1494 135 135 ARG CD C 43.0000 0.4 1 1495 135 135 ARG N N 119.7940 0.4 1 1496 136 136 ARG H H 7.7470 0.04 1 1497 136 136 ARG HA H 3.8200 0.04 1 1498 136 136 ARG HB2 H 1.8700 0.04 2 1499 136 136 ARG HB3 H 1.9400 0.04 2 1500 136 136 ARG HG2 H 1.6300 0.04 2 1501 136 136 ARG HG3 H 1.8800 0.04 2 1502 136 136 ARG HD3 H 3.2200 0.04 2 1503 136 136 ARG C C 178.9500 0.4 1 1504 136 136 ARG CA C 59.3000 0.4 1 1505 136 136 ARG CB C 30.2170 0.4 1 1506 136 136 ARG CG C 28.2000 0.4 1 1507 136 136 ARG CD C 43.3800 0.4 1 1508 136 136 ARG N N 114.5540 0.4 1 1509 137 137 LYS H H 7.1540 0.04 1 1510 137 137 LYS HA H 3.9000 0.04 1 1511 137 137 LYS HB2 H 1.9500 0.04 2 1512 137 137 LYS HB3 H 2.1200 0.04 2 1513 137 137 LYS HG2 H 1.5400 0.04 2 1514 137 137 LYS HG3 H 1.9400 0.04 2 1515 137 137 LYS HD3 H 1.9500 0.04 2 1516 137 137 LYS HE3 H 3.2200 0.04 2 1517 137 137 LYS C C 177.9800 0.4 1 1518 137 137 LYS CA C 60.3950 0.4 1 1519 137 137 LYS CB C 32.4470 0.4 1 1520 137 137 LYS CG C 26.3700 0.4 1 1521 137 137 LYS CD C 30.2700 0.4 1 1522 137 137 LYS CE C 42.4300 0.4 1 1523 137 137 LYS N N 118.2980 0.4 1 1524 138 138 LEU H H 7.7090 0.04 1 1525 138 138 LEU HA H 3.4200 0.04 1 1526 138 138 LEU HB2 H 0.6800 0.04 2 1527 138 138 LEU HB3 H 1.4800 0.04 2 1528 138 138 LEU HG H 0.3140 0.04 1 1529 138 138 LEU HD1 H -0.3400 0.04 2 1530 138 138 LEU HD2 H -0.6500 0.04 2 1531 138 138 LEU C C 179.1000 0.4 1 1532 138 138 LEU CA C 57.2310 0.4 1 1533 138 138 LEU CB C 42.3280 0.4 1 1534 138 138 LEU CG C 25.6000 0.4 1 1535 138 138 LEU CD1 C 25.0700 0.4 1 1536 138 138 LEU CD2 C 22.1900 0.4 1 1537 138 138 LEU N N 117.1590 0.4 1 1538 139 139 LEU H H 7.5070 0.04 1 1539 139 139 LEU HA H 4.1500 0.04 1 1540 139 139 LEU HB2 H 1.5900 0.04 2 1541 139 139 LEU HB3 H 1.6500 0.04 2 1542 139 139 LEU HG H 1.6900 0.04 1 1543 139 139 LEU HD1 H 0.7800 0.04 2 1544 139 139 LEU HD2 H 0.7800 0.04 2 1545 139 139 LEU C C 177.6000 0.4 1 1546 139 139 LEU CA C 55.5290 0.4 1 1547 139 139 LEU CB C 41.7440 0.4 1 1548 139 139 LEU CG C 26.9000 0.4 1 1549 139 139 LEU CD1 C 25.3000 0.4 1 1550 139 139 LEU CD2 C 22.4800 0.4 1 1551 139 139 LEU N N 115.1580 0.4 1 1552 140 140 LYS H H 7.3040 0.04 1 1553 140 140 LYS HA H 4.1100 0.04 1 1554 140 140 LYS HB2 H 1.4040 0.04 2 1555 140 140 LYS HB3 H 1.6990 0.04 2 1556 140 140 LYS HG2 H 1.2100 0.04 2 1557 140 140 LYS HG3 H 1.4230 0.04 2 1558 140 140 LYS HD2 H 1.3490 0.04 2 1559 140 140 LYS HD3 H 1.4770 0.04 2 1560 140 140 LYS HE3 H 2.7600 0.04 2 1561 140 140 LYS C C 175.8000 0.4 1 1562 140 140 LYS CA C 57.0520 0.4 1 1563 140 140 LYS CB C 32.6460 0.4 1 1564 140 140 LYS CG C 25.0400 0.4 1 1565 140 140 LYS CD C 29.1200 0.4 1 1566 140 140 LYS CE C 41.8000 0.4 1 1567 140 140 LYS N N 120.2560 0.4 1 1568 141 141 ALA H H 7.3470 0.04 1 1569 141 141 ALA HA H 4.2700 0.04 1 1570 141 141 ALA HB H 1.5500 0.04 1 1571 141 141 ALA CA C 54.2100 0.4 1 1572 141 141 ALA CB C 20.2400 0.4 1 1573 141 141 ALA N N 128.1440 0.4 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' 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 entity_2 _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 1 212 1 GLY HA3 H 4.0100 0.04 2 2 212 1 GLY CA C 44.6000 0.4 1 3 213 2 GLY HA3 H 3.8200 0.04 2 4 213 2 GLY CA C 43.4000 0.4 1 5 214 3 LYS H H 8.4100 0.04 1 6 214 3 LYS HA H 4.3300 0.04 1 7 214 3 LYS HB3 H 1.8600 0.04 2 8 214 3 LYS HG3 H 1.4400 0.04 2 9 214 3 LYS HD3 H 1.6600 0.04 2 10 214 3 LYS HE3 H 2.9900 0.04 2 11 214 3 LYS CB C 32.8900 0.4 1 12 214 3 LYS CG C 24.3200 0.4 1 13 214 3 LYS CD C 28.8000 0.4 1 14 214 3 LYS CE C 41.8000 0.4 1 15 215 4 ALA H H 8.5100 0.04 1 16 215 4 ALA HA H 4.5900 0.04 1 17 215 4 ALA HB H 1.3600 0.04 1 18 215 4 ALA CA C 50.3100 0.4 1 19 215 4 ALA CB C 17.7100 0.4 1 20 216 5 PRO HA H 4.4100 0.04 1 21 216 5 PRO HB2 H 1.8800 0.04 2 22 216 5 PRO HB3 H 2.2900 0.04 2 23 216 5 PRO HG3 H 2.0160 0.04 2 24 216 5 PRO HD2 H 3.6500 0.04 2 25 216 5 PRO HD3 H 3.8300 0.04 2 26 216 5 PRO CA C 62.6100 0.4 1 27 216 5 PRO CB C 31.8600 0.4 1 28 216 5 PRO CG C 27.1300 0.4 1 29 216 5 PRO CD C 50.2700 0.4 1 30 217 6 ARG H H 8.5100 0.04 1 31 217 6 ARG HA H 4.2800 0.04 1 32 217 6 ARG HB3 H 1.8100 0.04 2 33 217 6 ARG HG3 H 1.6400 0.04 2 34 217 6 ARG HD3 H 3.2000 0.04 2 35 217 6 ARG CB C 30.4800 0.4 1 36 217 6 ARG CD C 43.0600 0.4 1 37 218 7 ALY CB C 32.9200 0.4 1 38 218 7 ALY CD C 30.2400 0.4 1 39 218 7 ALY CE C 41.5000 0.4 1 40 218 7 ALY CG C 24.8300 0.4 1 41 218 7 ALY HA H 4.2400 0.04 1 42 218 7 ALY HB3 H 1.7550 0.04 2 43 218 7 ALY HD1 H 1.5300 0.04 2 44 218 7 ALY HE1 H 3.1400 0.04 2 45 218 7 ALY HG2 H 1.3100 0.04 2 46 218 7 ALY HG3 H 1.3500 0.04 2 47 218 7 ALY HN H 8.4100 0.04 1 48 218 7 ALY HZ1 H 8.0100 0.04 1 49 219 8 GLN H H 8.5200 0.04 1 50 219 8 GLN HA H 4.3100 0.04 1 51 219 8 GLN HB2 H 1.9600 0.04 2 52 219 8 GLN HB3 H 2.0600 0.04 2 53 219 8 GLN HG3 H 2.3500 0.04 2 54 219 8 GLN CB C 29.2200 0.4 1 55 219 8 GLN CG C 33.4800 0.4 1 56 220 9 LEU H H 8.3800 0.04 1 57 220 9 LEU HA H 4.3300 0.04 1 58 220 9 LEU HB2 H 1.5700 0.04 2 59 220 9 LEU HB3 H 1.6200 0.04 2 60 220 9 LEU HG H 1.6200 0.04 1 61 220 9 LEU HD1 H 0.9200 0.04 2 62 220 9 LEU HD2 H 0.8600 0.04 2 63 220 9 LEU CB C 42.2600 0.4 1 64 220 9 LEU CG C 26.7700 0.4 1 65 220 9 LEU CD1 C 24.6400 0.4 1 66 220 9 LEU CD2 C 23.0900 0.4 1 67 221 10 ALA H H 8.4400 0.04 1 68 221 10 ALA HA H 4.3700 0.04 1 69 221 10 ALA HB H 1.4000 0.04 1 70 221 10 ALA CA C 52.1500 0.4 1 71 221 10 ALA CB C 18.9500 0.4 1 72 222 11 THR H H 8.2100 0.04 1 73 222 11 THR HA H 4.2700 0.04 1 74 222 11 THR HB H 4.1700 0.04 1 75 222 11 THR HG2 H 1.2000 0.04 1 76 222 11 THR CA C 61.5000 0.4 1 77 222 11 THR CB C 69.6600 0.4 1 78 222 11 THR CG2 C 21.3700 0.4 1 79 223 12 LYS HG3 H 1.3900 0.04 2 80 223 12 LYS HE3 H 2.9900 0.04 2 81 223 12 LYS CE C 41.8000 0.4 1 82 224 13 ALA H H 8.1500 0.04 1 83 224 13 ALA HA H 4.1000 0.04 1 84 224 13 ALA HB H 1.3200 0.04 1 85 224 13 ALA CA C 53.5600 0.4 1 86 224 13 ALA CB C 19.6900 0.4 1 stop_ save_