data_16266 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of RPP29-RPP21 complex from Pyrococcus furiosis ; _BMRB_accession_number 16266 _BMRB_flat_file_name bmr16266.str _Entry_type original _Submission_date 2009-04-28 _Accession_date 2009-04-28 _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 Xu Yiren . . 2 Foster Mark P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1127 "13C chemical shifts" 909 "15N chemical shifts" 204 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-13 update BMRB 'complete entry citation' 2009-09-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of an archaeal RNase P binary protein complex: formation of the 30-kDa complex between Pyrococcus furiosus RPP21 and RPP29 is accompanied by coupled protein folding and highlights critical features for protein-protein and protein-RNA interactions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19733182 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Yiren . . 2 Amero Carlos D. . 3 Pulukkunat Dileep K. . 4 Gopalan Venkat . . 5 Foster Mark P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 393 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1043 _Page_last 1055 _Year 2009 _Details . loop_ _Keyword NMR 'RNase P' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pfu RPP29-RPP21 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Subunit 1' $Pfu_RPP29 'Subunit 2' $Pfu_RPP21 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 29770 save_ ######################## # Monomeric polymers # ######################## save_Pfu_RPP29 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pfu_RPP29 _Molecular_mass 14953.2 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MWRNSEERENRTSGRSQGSY QEIIGRTWIFRGAHRGRVNK KNIVWHELIGLKVRVVNSTH PGYVGIEGYVIDETRNMLVI AGENKVWKVPKDVCIFEFET WDGTKIKISGEKLVGRPEMR LKKRWRK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 TRP 3 ARG 4 ASN 5 SER 6 GLU 7 GLU 8 ARG 9 GLU 10 ASN 11 ARG 12 THR 13 SER 14 GLY 15 ARG 16 SER 17 GLN 18 GLY 19 SER 20 TYR 21 GLN 22 GLU 23 ILE 24 ILE 25 GLY 26 ARG 27 THR 28 TRP 29 ILE 30 PHE 31 ARG 32 GLY 33 ALA 34 HIS 35 ARG 36 GLY 37 ARG 38 VAL 39 ASN 40 LYS 41 LYS 42 ASN 43 ILE 44 VAL 45 TRP 46 HIS 47 GLU 48 LEU 49 ILE 50 GLY 51 LEU 52 LYS 53 VAL 54 ARG 55 VAL 56 VAL 57 ASN 58 SER 59 THR 60 HIS 61 PRO 62 GLY 63 TYR 64 VAL 65 GLY 66 ILE 67 GLU 68 GLY 69 TYR 70 VAL 71 ILE 72 ASP 73 GLU 74 THR 75 ARG 76 ASN 77 MET 78 LEU 79 VAL 80 ILE 81 ALA 82 GLY 83 GLU 84 ASN 85 LYS 86 VAL 87 TRP 88 LYS 89 VAL 90 PRO 91 LYS 92 ASP 93 VAL 94 CYS 95 ILE 96 PHE 97 GLU 98 PHE 99 GLU 100 THR 101 TRP 102 ASP 103 GLY 104 THR 105 LYS 106 ILE 107 LYS 108 ILE 109 SER 110 GLY 111 GLU 112 LYS 113 LEU 114 VAL 115 GLY 116 ARG 117 PRO 118 GLU 119 MET 120 ARG 121 LEU 122 LYS 123 LYS 124 ARG 125 TRP 126 ARG 127 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 BMRB 15935 Pfu_Rpp29 87.40 111 99.10 99.10 1.27e-71 PDB 2KI7 "The Solution Structure Of Rpp29-Rpp21 Complex From Pyrococcus Furiosus" 100.00 127 100.00 100.00 1.35e-84 GB AAL81940 "hypothetical protein PF1816 [Pyrococcus furiosus DSM 3638]" 100.00 127 100.00 100.00 1.35e-84 REF WP_048059096 "ribonuclease P [Pyrococcus furiosus]" 77.95 99 98.99 100.00 1.43e-62 SP Q8U007 "RecName: Full=Ribonuclease P protein component 1; Short=RNase P component 1; AltName: Full=Rpp29" 100.00 127 100.00 100.00 1.35e-84 stop_ save_ save_Pfu_RPP21 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pfu_RPP21 _Molecular_mass 14751.8 _Mol_thiol_state 'all other bound' _Details . _Residue_count 123 _Mol_residue_sequence ; MAKYNEKKEKKRIAKERIDI LFSLAERVFPYSPELAKRYV ELALLVQQKAKVKIPRKWKR RYCKKCHAFLVPGINARVRL RQKRMPHIVVKCLECGHIMR YPYIKEIKKRRIEKMEYGGL VPR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 TYR 5 ASN 6 GLU 7 LYS 8 LYS 9 GLU 10 LYS 11 LYS 12 ARG 13 ILE 14 ALA 15 LYS 16 GLU 17 ARG 18 ILE 19 ASP 20 ILE 21 LEU 22 PHE 23 SER 24 LEU 25 ALA 26 GLU 27 ARG 28 VAL 29 PHE 30 PRO 31 TYR 32 SER 33 PRO 34 GLU 35 LEU 36 ALA 37 LYS 38 ARG 39 TYR 40 VAL 41 GLU 42 LEU 43 ALA 44 LEU 45 LEU 46 VAL 47 GLN 48 GLN 49 LYS 50 ALA 51 LYS 52 VAL 53 LYS 54 ILE 55 PRO 56 ARG 57 LYS 58 TRP 59 LYS 60 ARG 61 ARG 62 TYR 63 CYS 64 LYS 65 LYS 66 CYS 67 HIS 68 ALA 69 PHE 70 LEU 71 VAL 72 PRO 73 GLY 74 ILE 75 ASN 76 ALA 77 ARG 78 VAL 79 ARG 80 LEU 81 ARG 82 GLN 83 LYS 84 ARG 85 MET 86 PRO 87 HIS 88 ILE 89 VAL 90 VAL 91 LYS 92 CYS 93 LEU 94 GLU 95 CYS 96 GLY 97 HIS 98 ILE 99 MET 100 ARG 101 TYR 102 PRO 103 TYR 104 ILE 105 LYS 106 GLU 107 ILE 108 LYS 109 LYS 110 ARG 111 ARG 112 ILE 113 GLU 114 LYS 115 MET 116 GLU 117 TYR 118 GLY 119 GLY 120 LEU 121 VAL 122 PRO 123 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 15776 Rpp21 100.00 123 99.19 99.19 7.05e-79 BMRB 15935 Pfu_Rpp21 99.19 122 99.18 99.18 4.98e-78 PDB 2K3R "Pfu Rpp21 Structure And Assignments" 100.00 123 99.19 99.19 7.05e-79 PDB 2KI7 "The Solution Structure Of Rpp29-Rpp21 Complex From Pyrococcus Furiosus" 100.00 123 99.19 99.19 7.05e-79 GB AAL81737 "hypothetical protein PF1613 [Pyrococcus furiosus DSM 3638]" 95.12 117 99.15 99.15 6.28e-74 GB AFN05027 "ribonuclease P protein component 4 [Pyrococcus furiosus COM1]" 95.12 117 99.15 99.15 6.28e-74 REF NP_579342 "ribonuclease P protein component 4 [Pyrococcus furiosus DSM 3638]" 95.12 117 99.15 99.15 6.28e-74 REF WP_011012760 "ribonuclease P [Pyrococcus furiosus]" 95.12 117 99.15 99.15 6.28e-74 REF YP_006493319 "ribonuclease P protein component 4 [Pyrococcus furiosus COM1]" 95.12 117 99.15 99.15 6.28e-74 SP Q8U0H6 "RecName: Full=Ribonuclease P protein component 4; Short=RNase P component 4; AltName: Full=Rpp21 [Pyrococcus furiosus DSM 3638]" 95.12 117 99.15 99.15 6.28e-74 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 21:04:59 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Pfu_RPP29 'Pyrococcus furiosus' 2261 Eukaryota . Pyrococcus furiosus DSM3638 $Pfu_RPP21 'Pyrococcus furiosus' 2261 Eukaryota . Pyrococcus furiosus DSM3638 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 $Pfu_RPP29 'recombinant technology' . Escherichia coli BL21DE3Rosetta pET33b $Pfu_RPP21 'recombinant technology' . Escherichia coli BL21DE3Rosetta pET33b $ZN 'obtained from a vendor' . Escherichia coli BL21DE3Rosetta . 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 $Pfu_RPP29 1.25 mM '[U-100% 13C; U-100% 15N]' $Pfu_RPP21 1.5 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' $ZN 0.3 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 10 % '[U-99.8% 2H]' H2O 90 % 'natural abundance' DSS 3 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pfu_RPP29 1.25 mM '[U-100% 13C; U-100% 15N]' $Pfu_RPP21 1.5 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' $ZN 0.3 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 100 % '[U-99.8% 2H]' DSS 3 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pfu_RPP29 1 mM '[U-100% 13C; U-100% 15N]' $Pfu_RPP21 1.2 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' $ZN 0.3 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-99.8% 2H]' DSS 3 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pfu_RPP29 1 mM '[U-100% 13C; U-100% 15N]' $Pfu_RPP21 1.2 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' $ZN 0.3 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 100 % '[U-99.8% 2H]' DSS 3 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . 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 . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller R., Wuthrich K.' ETH http://www.nmr.ch/ stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'Computer Aided Resonance Assignments' save_ save_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'data analysis' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 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_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_C(CO)NH_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH TOCSY' _Sample_label $sample_3 save_ save_3D_H(C)(CO)NH_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)(CO)NH TOCSY' _Sample_label $sample_1 save_ save_3D_H(C)(CO)NH_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)(CO)NH TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_3D_13C-filtered/edited_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-filtered/edited NOESY' _Sample_label $sample_2 save_ save_3D_13C-filtered/edited_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-filtered/edited NOESY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'For sample_1 and sample_3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.047 . M pH 5.8 . pH pressure 1 . atm temperature 328 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'For sample_2 and sample_4' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.047 . M pH 6.21 . pH pressure 1 . atm temperature 328 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _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 internal indirect . . . 0.25144952 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132905 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_complex_ppm_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRDraw $NMRView $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH TOCSY' '3D H(C)(CO)NH TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name 'Subunit 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 2 2 TRP HA H 4.754 0.02 1 2 2 2 TRP HB2 H 3.370 0.02 2 3 2 2 TRP HB3 H 3.292 0.02 2 4 2 2 TRP HD1 H 7.171 0.02 1 5 2 2 TRP HE3 H 7.298 0.02 1 6 2 2 TRP C C 175.646 0.3 1 7 2 2 TRP CA C 57.661 0.3 1 8 2 2 TRP CB C 29.918 0.3 1 9 3 3 ARG H H 8.124 0.02 1 10 3 3 ARG HA H 4.223 0.02 1 11 3 3 ARG C C 175.470 0.3 1 12 3 3 ARG CA C 55.998 0.3 1 13 3 3 ARG CB C 31.159 0.3 1 14 3 3 ARG CD C 43.744 0.3 1 15 3 3 ARG CG C 27.276 0.3 1 16 3 3 ARG N N 123.446 0.3 1 17 4 4 ASN H H 8.229 0.02 1 18 4 4 ASN C C 172.119 0.3 1 19 4 4 ASN CA C 57.055 0.3 1 20 4 4 ASN CB C 39.293 0.3 1 21 4 4 ASN N N 120.055 0.3 1 22 5 5 SER HA H 4.437 0.02 1 23 5 5 SER HB2 H 3.915 0.02 2 24 5 5 SER HB3 H 3.838 0.02 2 25 5 5 SER C C 174.694 0.3 1 26 5 5 SER CA C 59.069 0.3 1 27 5 5 SER CB C 63.603 0.3 1 28 6 6 GLU H H 8.371 0.02 1 29 6 6 GLU HA H 4.277 0.02 1 30 6 6 GLU HB2 H 2.072 0.02 2 31 6 6 GLU HB3 H 1.952 0.02 2 32 6 6 GLU HG2 H 2.239 0.02 2 33 6 6 GLU C C 176.711 0.3 1 34 6 6 GLU CA C 57.022 0.3 1 35 6 6 GLU CB C 30.070 0.3 1 36 6 6 GLU CG C 36.295 0.3 1 37 6 6 GLU N N 122.733 0.3 1 38 7 7 GLU H H 8.224 0.02 1 39 7 7 GLU HA H 4.326 0.02 1 40 7 7 GLU HB2 H 2.059 0.02 2 41 7 7 GLU HB3 H 1.952 0.02 2 42 7 7 GLU HG2 H 2.254 0.02 2 43 7 7 GLU C C 176.711 0.3 1 44 7 7 GLU CA C 57.055 0.3 1 45 7 7 GLU CB C 30.065 0.3 1 46 7 7 GLU CG C 36.318 0.3 1 47 7 7 GLU N N 121.662 0.3 1 48 8 8 ARG H H 8.136 0.02 1 49 8 8 ARG HA H 4.248 0.02 1 50 8 8 ARG HB2 H 1.842 0.02 2 51 8 8 ARG HB3 H 1.752 0.02 2 52 8 8 ARG HD2 H 3.156 0.02 2 53 8 8 ARG HG2 H 1.577 0.02 2 54 8 8 ARG C C 176.455 0.3 1 55 8 8 ARG CA C 56.544 0.3 1 56 8 8 ARG CB C 30.614 0.3 1 57 8 8 ARG CD C 43.744 0.3 1 58 8 8 ARG CG C 27.091 0.3 1 59 8 8 ARG N N 121.513 0.3 1 60 9 9 GLU H H 8.284 0.02 1 61 9 9 GLU HA H 4.253 0.02 1 62 9 9 GLU HB2 H 2.020 0.02 2 63 9 9 GLU HB3 H 1.956 0.02 2 64 9 9 GLU HG2 H 2.238 0.02 2 65 9 9 GLU C C 176.283 0.3 1 66 9 9 GLU CA C 56.954 0.3 1 67 9 9 GLU CB C 30.345 0.3 1 68 9 9 GLU CG C 36.463 0.3 1 69 9 9 GLU N N 121.224 0.3 1 70 10 10 ASN H H 8.346 0.02 1 71 10 10 ASN HA H 4.770 0.02 1 72 10 10 ASN HB2 H 2.909 0.02 2 73 10 10 ASN HB3 H 2.834 0.02 2 74 10 10 ASN C C 175.340 0.3 1 75 10 10 ASN CA C 53.358 0.3 1 76 10 10 ASN CB C 38.818 0.3 1 77 10 10 ASN N N 120.166 0.3 1 78 11 11 ARG H H 8.321 0.02 1 79 11 11 ARG HA H 4.464 0.02 1 80 11 11 ARG HB2 H 1.988 0.02 2 81 11 11 ARG HB3 H 1.875 0.02 2 82 11 11 ARG HD2 H 3.283 0.02 2 83 11 11 ARG HG2 H 1.680 0.02 2 84 11 11 ARG C C 176.636 0.3 1 85 11 11 ARG CA C 56.477 0.3 1 86 11 11 ARG CB C 30.614 0.3 1 87 11 11 ARG CD C 43.744 0.3 1 88 11 11 ARG CG C 27.093 0.3 1 89 11 11 ARG N N 121.876 0.3 1 90 12 12 THR H H 8.235 0.02 1 91 12 12 THR HA H 4.445 0.02 1 92 12 12 THR HB H 4.344 0.02 1 93 12 12 THR HG2 H 1.269 0.02 1 94 12 12 THR CA C 61.832 0.3 1 95 12 12 THR CB C 69.548 0.3 1 96 12 12 THR CG2 C 21.559 0.3 1 97 12 12 THR N N 114.437 0.3 1 98 13 13 SER HA H 4.456 0.02 1 99 13 13 SER HB2 H 3.973 0.02 2 100 13 13 SER C C 175.079 0.3 1 101 13 13 SER CA C 58.559 0.3 1 102 13 13 SER CB C 63.894 0.3 1 103 14 14 GLY H H 8.431 0.02 1 104 14 14 GLY HA2 H 4.042 0.02 2 105 14 14 GLY HA3 H 4.047 0.02 2 106 14 14 GLY C C 174.220 0.3 1 107 14 14 GLY CA C 45.492 0.3 1 108 14 14 GLY N N 110.860 0.3 1 109 15 15 ARG H H 8.107 0.02 1 110 15 15 ARG HA H 4.432 0.02 1 111 15 15 ARG HB2 H 1.925 0.02 2 112 15 15 ARG HB3 H 1.817 0.02 2 113 15 15 ARG HD2 H 3.217 0.02 2 114 15 15 ARG HG2 H 1.671 0.02 2 115 15 15 ARG CA C 56.175 0.3 1 116 15 15 ARG CB C 30.945 0.3 1 117 15 15 ARG N N 120.815 0.3 1 118 17 17 GLN HA H 4.330 0.02 1 119 17 17 GLN HB2 H 2.160 0.02 2 120 17 17 GLN HB3 H 2.023 0.02 2 121 17 17 GLN HG2 H 2.398 0.02 2 122 17 17 GLN C C 176.539 0.3 1 123 17 17 GLN CA C 56.781 0.3 1 124 17 17 GLN CB C 29.519 0.3 1 125 17 17 GLN CG C 33.767 0.3 1 126 18 18 GLY H H 8.343 0.02 1 127 18 18 GLY HA2 H 3.894 0.02 2 128 18 18 GLY C C 177.743 0.3 1 129 18 18 GLY CA C 45.497 0.3 1 130 18 18 GLY N N 109.925 0.3 1 131 19 19 SER H H 8.005 0.02 1 132 19 19 SER HA H 4.329 0.02 1 133 19 19 SER HB2 H 3.720 0.02 2 134 19 19 SER C C 175.168 0.3 1 135 19 19 SER CA C 58.852 0.3 1 136 19 19 SER CB C 63.604 0.3 1 137 19 19 SER N N 115.090 0.3 1 138 20 20 TYR H H 8.040 0.02 1 139 20 20 TYR HA H 4.439 0.02 1 140 20 20 TYR HB2 H 3.132 0.02 2 141 20 20 TYR HB3 H 3.013 0.02 2 142 20 20 TYR HD1 H 6.913 0.02 3 143 20 20 TYR HE1 H 6.694 0.02 3 144 20 20 TYR C C 176.111 0.3 1 145 20 20 TYR CA C 57.966 0.3 1 146 20 20 TYR CB C 37.472 0.3 1 147 20 20 TYR N N 118.675 0.3 1 148 21 21 GLN H H 7.909 0.02 1 149 21 21 GLN HA H 3.903 0.02 1 150 21 21 GLN HB2 H 2.196 0.02 2 151 21 21 GLN HB3 H 2.145 0.02 2 152 21 21 GLN HG2 H 2.472 0.02 2 153 21 21 GLN C C 178.003 0.3 1 154 21 21 GLN CA C 58.523 0.3 1 155 21 21 GLN CB C 28.438 0.3 1 156 21 21 GLN CG C 33.700 0.3 1 157 21 21 GLN N N 117.056 0.3 1 158 22 22 GLU H H 8.965 0.02 1 159 22 22 GLU HA H 4.267 0.02 1 160 22 22 GLU HB2 H 2.320 0.02 2 161 22 22 GLU HB3 H 2.021 0.02 2 162 22 22 GLU HG2 H 2.605 0.02 2 163 22 22 GLU C C 176.451 0.3 1 164 22 22 GLU CA C 58.273 0.3 1 165 22 22 GLU CB C 29.412 0.3 1 166 22 22 GLU CG C 36.591 0.3 1 167 22 22 GLU N N 117.289 0.3 1 168 23 23 ILE H H 7.596 0.02 1 169 23 23 ILE HA H 4.161 0.02 1 170 23 23 ILE HB H 2.041 0.02 1 171 23 23 ILE HD1 H 0.814 0.02 1 172 23 23 ILE HG12 H 1.541 0.02 2 173 23 23 ILE HG2 H 0.974 0.02 1 174 23 23 ILE C C 176.195 0.3 1 175 23 23 ILE CA C 58.120 0.3 1 176 23 23 ILE CB C 38.461 0.3 1 177 23 23 ILE CD1 C 11.916 0.3 1 178 23 23 ILE CG1 C 28.871 0.3 1 179 23 23 ILE CG2 C 19.961 0.3 1 180 23 23 ILE N N 114.005 0.3 1 181 24 24 ILE H H 7.178 0.02 1 182 24 24 ILE HA H 3.740 0.02 1 183 24 24 ILE HB H 1.929 0.02 1 184 24 24 ILE HD1 H 0.841 0.02 1 185 24 24 ILE HG12 H 1.630 0.02 2 186 24 24 ILE HG2 H 0.849 0.02 1 187 24 24 ILE C C 177.831 0.3 1 188 24 24 ILE CA C 63.318 0.3 1 189 24 24 ILE CB C 36.590 0.3 1 190 24 24 ILE CD1 C 12.540 0.3 1 191 24 24 ILE CG1 C 28.567 0.3 1 192 24 24 ILE CG2 C 17.291 0.3 1 193 24 24 ILE N N 122.099 0.3 1 194 25 25 GLY H H 8.618 0.02 1 195 25 25 GLY HA2 H 4.390 0.02 2 196 25 25 GLY HA3 H 4.168 0.02 2 197 25 25 GLY C C 175.210 0.3 1 198 25 25 GLY CA C 45.798 0.3 1 199 25 25 GLY N N 115.531 0.3 1 200 26 26 ARG H H 8.277 0.02 1 201 26 26 ARG HA H 4.477 0.02 1 202 26 26 ARG HB2 H 1.349 0.02 2 203 26 26 ARG HB3 H 1.149 0.02 2 204 26 26 ARG HD2 H 2.483 0.02 2 205 26 26 ARG HD3 H 2.811 0.02 2 206 26 26 ARG HG2 H 1.305 0.02 2 207 26 26 ARG HG3 H 1.155 0.02 2 208 26 26 ARG C C 175.944 0.3 1 209 26 26 ARG CA C 54.408 0.3 1 210 26 26 ARG CB C 29.501 0.3 1 211 26 26 ARG CD C 43.713 0.3 1 212 26 26 ARG CG C 27.087 0.3 1 213 26 26 ARG N N 119.689 0.3 1 214 27 27 THR H H 7.923 0.02 1 215 27 27 THR HA H 3.792 0.02 1 216 27 27 THR HB H 4.549 0.02 1 217 27 27 THR HG2 H 1.412 0.02 1 218 27 27 THR C C 175.251 0.3 1 219 27 27 THR CA C 64.791 0.3 1 220 27 27 THR CB C 68.354 0.3 1 221 27 27 THR CG2 C 23.228 0.3 1 222 27 27 THR N N 109.195 0.3 1 223 28 28 TRP H H 7.389 0.02 1 224 28 28 TRP HA H 4.441 0.02 1 225 28 28 TRP HB2 H 3.604 0.02 2 226 28 28 TRP HB3 H 3.366 0.02 2 227 28 28 TRP HD1 H 7.471 0.02 1 228 28 28 TRP C C 178.519 0.3 1 229 28 28 TRP CA C 57.789 0.3 1 230 28 28 TRP CB C 27.387 0.3 1 231 28 28 TRP N N 120.127 0.3 1 232 29 29 ILE H H 6.832 0.02 1 233 29 29 ILE HA H 3.612 0.02 1 234 29 29 ILE HB H 1.297 0.02 1 235 29 29 ILE HD1 H 0.372 0.02 1 236 29 29 ILE HG12 H 0.219 0.02 2 237 29 29 ILE HG2 H -0.046 0.02 1 238 29 29 ILE C C 176.023 0.3 1 239 29 29 ILE CA C 63.773 0.3 1 240 29 29 ILE CB C 37.567 0.3 1 241 29 29 ILE CD1 C 14.618 0.3 1 242 29 29 ILE CG1 C 25.617 0.3 1 243 29 29 ILE CG2 C 15.927 0.3 1 244 29 29 ILE N N 119.913 0.3 1 245 30 30 PHE H H 7.329 0.02 1 246 30 30 PHE HA H 3.912 0.02 1 247 30 30 PHE HB2 H 2.590 0.02 2 248 30 30 PHE HB3 H 2.033 0.02 2 249 30 30 PHE HD1 H 6.978 0.02 3 250 30 30 PHE HE1 H 7.169 0.02 3 251 30 30 PHE HZ H 7.304 0.02 1 252 30 30 PHE C C 177.101 0.3 1 253 30 30 PHE CA C 59.436 0.3 1 254 30 30 PHE CB C 38.734 0.3 1 255 30 30 PHE N N 116.638 0.3 1 256 31 31 ARG H H 7.399 0.02 1 257 31 31 ARG HA H 4.287 0.02 1 258 31 31 ARG HB2 H 2.317 0.02 2 259 31 31 ARG HB3 H 2.020 0.02 2 260 31 31 ARG HD2 H 3.733 0.02 2 261 31 31 ARG HD3 H 3.603 0.02 2 262 31 31 ARG C C 176.539 0.3 1 263 31 31 ARG CA C 58.852 0.3 1 264 31 31 ARG CB C 29.461 0.3 1 265 31 31 ARG N N 122.099 0.3 1 266 32 32 GLY H H 8.346 0.02 1 267 32 32 GLY HA2 H 4.284 0.02 2 268 32 32 GLY HA3 H 3.629 0.02 2 269 32 32 GLY C C 173.791 0.3 1 270 32 32 GLY CA C 45.793 0.3 1 271 32 32 GLY N N 109.964 0.3 1 272 33 33 ALA H H 7.510 0.02 1 273 33 33 ALA HA H 4.193 0.02 1 274 33 33 ALA HB H 1.367 0.02 1 275 33 33 ALA C C 176.672 0.3 1 276 33 33 ALA CA C 54.401 0.3 1 277 33 33 ALA CB C 19.368 0.3 1 278 33 33 ALA N N 122.266 0.3 1 279 34 34 HIS H H 8.759 0.02 1 280 34 34 HIS HA H 4.529 0.02 1 281 34 34 HIS HB2 H 3.421 0.02 2 282 34 34 HIS HB3 H 2.797 0.02 2 283 34 34 HIS HD2 H 7.729 0.02 1 284 34 34 HIS C C 175.767 0.3 1 285 34 34 HIS CA C 54.997 0.3 1 286 34 34 HIS CB C 31.089 0.3 1 287 34 34 HIS N N 119.038 0.3 1 288 35 35 ARG H H 8.142 0.02 1 289 35 35 ARG HA H 4.700 0.02 1 290 35 35 ARG HB2 H 1.454 0.02 2 291 35 35 ARG HB3 H 1.411 0.02 2 292 35 35 ARG HD2 H 2.640 0.02 2 293 35 35 ARG HD3 H 2.531 0.02 2 294 35 35 ARG HG2 H 1.153 0.02 2 295 35 35 ARG HG3 H 0.570 0.02 2 296 35 35 ARG C C 177.572 0.3 1 297 35 35 ARG CA C 54.103 0.3 1 298 35 35 ARG CB C 29.112 0.3 1 299 35 35 ARG CD C 43.122 0.3 1 300 35 35 ARG CG C 26.360 0.3 1 301 35 35 ARG N N 127.785 0.3 1 302 36 36 GLY H H 9.352 0.02 1 303 36 36 GLY HA2 H 4.291 0.02 2 304 36 36 GLY HA3 H 3.247 0.02 2 305 36 36 GLY C C 173.876 0.3 1 306 36 36 GLY CA C 45.644 0.3 1 307 36 36 GLY N N 109.626 0.3 1 308 37 37 ARG H H 9.384 0.02 1 309 37 37 ARG HA H 4.688 0.02 1 310 37 37 ARG HB2 H 2.077 0.02 2 311 37 37 ARG HD2 H 3.380 0.02 2 312 37 37 ARG HD3 H 3.321 0.02 2 313 37 37 ARG HG2 H 1.885 0.02 2 314 37 37 ARG HG3 H 1.812 0.02 2 315 37 37 ARG C C 175.081 0.3 1 316 37 37 ARG CA C 55.742 0.3 1 317 37 37 ARG CB C 28.138 0.3 1 318 37 37 ARG CD C 43.419 0.3 1 319 37 37 ARG CG C 27.389 0.3 1 320 37 37 ARG N N 127.132 0.3 1 321 38 38 VAL H H 7.605 0.02 1 322 38 38 VAL HA H 4.591 0.02 1 323 38 38 VAL HB H 1.617 0.02 1 324 38 38 VAL HG1 H 0.680 0.02 2 325 38 38 VAL HG2 H 0.379 0.02 2 326 38 38 VAL C C 174.391 0.3 1 327 38 38 VAL CA C 60.092 0.3 1 328 38 38 VAL CB C 33.328 0.3 1 329 38 38 VAL CG1 C 21.748 0.3 2 330 38 38 VAL CG2 C 20.559 0.3 2 331 38 38 VAL N N 126.253 0.3 1 332 39 39 ASN H H 9.007 0.02 1 333 39 39 ASN HA H 4.736 0.02 1 334 39 39 ASN HB2 H 3.190 0.02 2 335 39 39 ASN HB3 H 2.895 0.02 2 336 39 39 ASN C C 174.562 0.3 1 337 39 39 ASN CA C 51.577 0.3 1 338 39 39 ASN CB C 40.749 0.3 1 339 39 39 ASN N N 123.411 0.3 1 340 40 40 LYS H H 8.510 0.02 1 341 40 40 LYS HA H 3.909 0.02 1 342 40 40 LYS HB2 H 1.982 0.02 2 343 40 40 LYS HB3 H 1.901 0.02 2 344 40 40 LYS HD2 H 1.817 0.02 2 345 40 40 LYS HE2 H 3.130 0.02 2 346 40 40 LYS HG2 H 1.611 0.02 2 347 40 40 LYS HG3 H 1.454 0.02 2 348 40 40 LYS C C 176.629 0.3 1 349 40 40 LYS CA C 59.141 0.3 1 350 40 40 LYS CB C 32.301 0.3 1 351 40 40 LYS CD C 29.466 0.3 1 352 40 40 LYS CE C 41.933 0.3 1 353 40 40 LYS CG C 25.031 0.3 1 354 40 40 LYS N N 116.303 0.3 1 355 41 41 LYS H H 7.907 0.02 1 356 41 41 LYS HA H 4.172 0.02 1 357 41 41 LYS HB2 H 1.750 0.02 2 358 41 41 LYS HD2 H 1.538 0.02 2 359 41 41 LYS HE2 H 2.789 0.02 2 360 41 41 LYS HG2 H 1.262 0.02 2 361 41 41 LYS HG3 H 1.186 0.02 2 362 41 41 LYS C C 177.229 0.3 1 363 41 41 LYS CA C 57.392 0.3 1 364 41 41 LYS CB C 32.667 0.3 1 365 41 41 LYS CD C 28.872 0.3 1 366 41 41 LYS CE C 42.246 0.3 1 367 41 41 LYS CG C 25.012 0.3 1 368 41 41 LYS N N 117.066 0.3 1 369 42 42 ASN H H 7.962 0.02 1 370 42 42 ASN HA H 4.392 0.02 1 371 42 42 ASN HB2 H 3.552 0.02 2 372 42 42 ASN HB3 H 2.932 0.02 2 373 42 42 ASN C C 179.805 0.3 1 374 42 42 ASN CA C 52.335 0.3 1 375 42 42 ASN CB C 39.348 0.3 1 376 42 42 ASN N N 114.442 0.3 1 377 43 43 ILE H H 7.806 0.02 1 378 43 43 ILE HA H 3.747 0.02 1 379 43 43 ILE HB H 1.826 0.02 1 380 43 43 ILE HD1 H 0.158 0.02 1 381 43 43 ILE HG12 H 0.696 0.02 2 382 43 43 ILE HG2 H 0.760 0.02 1 383 43 43 ILE C C 174.219 0.3 1 384 43 43 ILE CA C 64.505 0.3 1 385 43 43 ILE CB C 36.595 0.3 1 386 43 43 ILE CD1 C 14.024 0.3 1 387 43 43 ILE CG1 C 21.645 0.3 1 388 43 43 ILE CG2 C 16.704 0.3 1 389 43 43 ILE N N 121.001 0.3 1 390 44 44 VAL H H 6.154 0.02 1 391 44 44 VAL HA H 3.497 0.02 1 392 44 44 VAL HB H 1.733 0.02 1 393 44 44 VAL HG1 H 0.595 0.02 2 394 44 44 VAL HG2 H 0.168 0.02 2 395 44 44 VAL C C 176.282 0.3 1 396 44 44 VAL CA C 63.606 0.3 1 397 44 44 VAL CB C 30.614 0.3 1 398 44 44 VAL CG1 C 21.449 0.3 2 399 44 44 VAL CG2 C 18.484 0.3 2 400 44 44 VAL N N 110.500 0.3 1 401 45 45 TRP H H 7.419 0.02 1 402 45 45 TRP HA H 4.716 0.02 1 403 45 45 TRP HB2 H 3.381 0.02 2 404 45 45 TRP HB3 H 3.306 0.02 2 405 45 45 TRP HD1 H 7.471 0.02 1 406 45 45 TRP HE3 H 7.729 0.02 1 407 45 45 TRP HZ3 H 6.866 0.02 1 408 45 45 TRP C C 175.422 0.3 1 409 45 45 TRP CA C 56.188 0.3 1 410 45 45 TRP CB C 31.245 0.3 1 411 45 45 TRP N N 118.601 0.3 1 412 46 46 HIS H H 7.582 0.02 1 413 46 46 HIS HA H 4.227 0.02 1 414 46 46 HIS HB2 H 3.027 0.02 2 415 46 46 HIS HB3 H 2.938 0.02 2 416 46 46 HIS HD2 H 6.784 0.02 1 417 46 46 HIS HE1 H 7.384 0.02 1 418 46 46 HIS C C 177.485 0.3 1 419 46 46 HIS CA C 56.799 0.3 1 420 46 46 HIS CB C 32.017 0.3 1 421 46 46 HIS N N 122.648 0.3 1 422 47 47 GLU H H 7.948 0.02 1 423 47 47 GLU HA H 4.098 0.02 1 424 47 47 GLU HB2 H 2.228 0.02 2 425 47 47 GLU HG2 H 2.358 0.02 2 426 47 47 GLU HG3 H 2.060 0.02 2 427 47 47 GLU C C 175.596 0.3 1 428 47 47 GLU CA C 56.482 0.3 1 429 47 47 GLU CB C 31.839 0.3 1 430 47 47 GLU CG C 37.291 0.3 1 431 47 47 GLU N N 120.485 0.3 1 432 48 48 LEU H H 9.304 0.02 1 433 48 48 LEU HA H 4.218 0.02 1 434 48 48 LEU HB2 H 1.583 0.02 2 435 48 48 LEU HB3 H 1.116 0.02 2 436 48 48 LEU HD1 H 0.671 0.02 2 437 48 48 LEU HD2 H 0.035 0.02 2 438 48 48 LEU C C 177.743 0.3 1 439 48 48 LEU CA C 55.043 0.3 1 440 48 48 LEU CB C 41.948 0.3 1 441 48 48 LEU CD1 C 26.496 0.3 2 442 48 48 LEU CD2 C 20.851 0.3 2 443 48 48 LEU N N 128.658 0.3 1 444 49 49 ILE H H 8.028 0.02 1 445 49 49 ILE HA H 3.279 0.02 1 446 49 49 ILE HB H 1.775 0.02 1 447 49 49 ILE HD1 H 1.077 0.02 1 448 49 49 ILE HG12 H 0.431 0.02 2 449 49 49 ILE HG2 H 0.579 0.02 1 450 49 49 ILE C C 174.821 0.3 1 451 49 49 ILE CA C 63.901 0.3 1 452 49 49 ILE CB C 37.775 0.3 1 453 49 49 ILE CD1 C 14.321 0.3 1 454 49 49 ILE CG1 C 30.057 0.3 1 455 49 49 ILE CG2 C 17.594 0.3 1 456 49 49 ILE N N 120.341 0.3 1 457 50 50 GLY H H 9.038 0.02 1 458 50 50 GLY HA2 H 4.717 0.02 2 459 50 50 GLY HA3 H 3.491 0.02 2 460 50 50 GLY C C 175.084 0.3 1 461 50 50 GLY CA C 44.599 0.3 1 462 50 50 GLY N N 110.284 0.3 1 463 51 51 LEU H H 8.400 0.02 1 464 51 51 LEU HA H 4.723 0.02 1 465 51 51 LEU HB2 H 2.230 0.02 2 466 51 51 LEU HB3 H 1.542 0.02 2 467 51 51 LEU HD1 H 0.513 0.02 2 468 51 51 LEU HD2 H 0.194 0.02 2 469 51 51 LEU HG H 1.308 0.02 1 470 51 51 LEU C C 177.147 0.3 1 471 51 51 LEU CA C 54.350 0.3 1 472 51 51 LEU CB C 42.985 0.3 1 473 51 51 LEU CD1 C 26.335 0.3 2 474 51 51 LEU CD2 C 21.350 0.3 2 475 51 51 LEU CG C 26.611 0.3 1 476 51 51 LEU N N 120.471 0.3 1 477 52 52 LYS H H 7.505 0.02 1 478 52 52 LYS HA H 4.250 0.02 1 479 52 52 LYS HB2 H 1.769 0.02 2 480 52 52 LYS HB3 H 1.493 0.02 2 481 52 52 LYS HD2 H 1.399 0.02 2 482 52 52 LYS HE2 H 2.738 0.02 2 483 52 52 LYS HE3 H 2.807 0.02 2 484 52 52 LYS HG2 H 1.032 0.02 2 485 52 52 LYS C C 174.995 0.3 1 486 52 52 LYS CA C 55.589 0.3 1 487 52 52 LYS CB C 33.025 0.3 1 488 52 52 LYS CD C 28.581 0.3 1 489 52 52 LYS CE C 41.919 0.3 1 490 52 52 LYS CG C 25.011 0.3 1 491 52 52 LYS N N 122.406 0.3 1 492 53 53 VAL H H 9.075 0.02 1 493 53 53 VAL HA H 5.071 0.02 1 494 53 53 VAL HB H 1.538 0.02 1 495 53 53 VAL HG1 H -0.021 0.02 2 496 53 53 VAL HG2 H 0.520 0.02 2 497 53 53 VAL C C 171.170 0.3 1 498 53 53 VAL CA C 58.523 0.3 1 499 53 53 VAL CB C 35.698 0.3 1 500 53 53 VAL CG1 C 23.369 0.3 2 501 53 53 VAL CG2 C 20.557 0.3 2 502 53 53 VAL N N 124.509 0.3 1 503 54 54 ARG H H 8.148 0.02 1 504 54 54 ARG HA H 5.329 0.02 1 505 54 54 ARG HB2 H 1.722 0.02 2 506 54 54 ARG HB3 H 1.633 0.02 2 507 54 54 ARG HD2 H 3.195 0.02 2 508 54 54 ARG HD3 H 3.091 0.02 2 509 54 54 ARG HG2 H 1.427 0.02 2 510 54 54 ARG HG3 H 1.380 0.02 2 511 54 54 ARG C C 176.113 0.3 1 512 54 54 ARG CA C 53.817 0.3 1 513 54 54 ARG CB C 34.511 0.3 1 514 54 54 ARG CD C 43.122 0.3 1 515 54 54 ARG CG C 27.685 0.3 1 516 54 54 ARG N N 123.625 0.3 1 517 55 55 VAL H H 8.659 0.02 1 518 55 55 VAL HA H 4.085 0.02 1 519 55 55 VAL HB H 2.408 0.02 1 520 55 55 VAL HG1 H 0.626 0.02 2 521 55 55 VAL HG2 H 0.829 0.02 2 522 55 55 VAL C C 176.282 0.3 1 523 55 55 VAL CA C 62.814 0.3 1 524 55 55 VAL CB C 30.628 0.3 1 525 55 55 VAL CG1 C 22.338 0.3 2 526 55 55 VAL CG2 C 21.027 0.3 2 527 55 55 VAL N N 125.383 0.3 1 528 56 56 VAL H H 8.057 0.02 1 529 56 56 VAL HA H 4.123 0.02 1 530 56 56 VAL HB H 2.012 0.02 1 531 56 56 VAL HG1 H 0.850 0.02 2 532 56 56 VAL HG2 H 0.751 0.02 2 533 56 56 VAL C C 175.426 0.3 1 534 56 56 VAL CA C 62.786 0.3 1 535 56 56 VAL CB C 32.267 0.3 1 536 56 56 VAL CG1 C 22.042 0.3 2 537 56 56 VAL CG2 C 20.262 0.3 2 538 56 56 VAL N N 124.936 0.3 1 539 57 57 ASN H H 7.527 0.02 1 540 57 57 ASN HA H 4.817 0.02 1 541 57 57 ASN HB2 H 2.600 0.02 2 542 57 57 ASN HB3 H 2.538 0.02 2 543 57 57 ASN C C 172.973 0.3 1 544 57 57 ASN CA C 52.460 0.3 1 545 57 57 ASN CB C 42.070 0.3 1 546 57 57 ASN N N 114.777 0.3 1 547 58 58 SER H H 8.193 0.02 1 548 58 58 SER HA H 5.214 0.02 1 549 58 58 SER HB2 H 3.943 0.02 2 550 58 58 SER HB3 H 3.635 0.02 2 551 58 58 SER C C 174.221 0.3 1 552 58 58 SER CA C 56.778 0.3 1 553 58 58 SER CB C 63.906 0.3 1 554 58 58 SER N N 115.531 0.3 1 555 59 59 THR H H 8.053 0.02 1 556 59 59 THR HA H 4.305 0.02 1 557 59 59 THR HB H 4.421 0.02 1 558 59 59 THR HG2 H 1.301 0.02 1 559 59 59 THR C C 174.478 0.3 1 560 59 59 THR CA C 63.305 0.3 1 561 59 59 THR CB C 68.354 0.3 1 562 59 59 THR CG2 C 22.339 0.3 1 563 59 59 THR N N 116.405 0.3 1 564 60 60 HIS H H 8.359 0.02 1 565 60 60 HIS HA H 5.167 0.02 1 566 60 60 HIS HB2 H 3.072 0.02 2 567 60 60 HIS HB3 H 2.948 0.02 2 568 60 60 HIS HD2 H 7.084 0.02 1 569 60 60 HIS HE1 H 6.740 0.02 1 570 60 60 HIS CA C 52.792 0.3 1 571 60 60 HIS CB C 32.142 0.3 1 572 60 60 HIS N N 123.625 0.3 1 573 61 61 PRO HA H 4.277 0.02 1 574 61 61 PRO HB2 H 2.367 0.02 2 575 61 61 PRO HB3 H 1.921 0.02 2 576 61 61 PRO HD2 H 3.572 0.02 2 577 61 61 PRO HD3 H 3.905 0.02 2 578 61 61 PRO HG2 H 1.971 0.02 2 579 61 61 PRO HG3 H 1.865 0.02 2 580 61 61 PRO C C 178.217 0.3 1 581 61 61 PRO CA C 64.375 0.3 1 582 61 61 PRO CB C 32.007 0.3 1 583 61 61 PRO CD C 51.132 0.3 1 584 61 61 PRO CG C 27.386 0.3 1 585 62 62 GLY H H 8.421 0.02 1 586 62 62 GLY HA2 H 3.889 0.02 2 587 62 62 GLY HA3 H 3.653 0.02 2 588 62 62 GLY C C 174.994 0.3 1 589 62 62 GLY CA C 45.831 0.3 1 590 62 62 GLY N N 106.132 0.3 1 591 63 63 TYR H H 7.327 0.02 1 592 63 63 TYR HA H 4.846 0.02 1 593 63 63 TYR HB2 H 3.230 0.02 2 594 63 63 TYR HB3 H 2.750 0.02 2 595 63 63 TYR HD1 H 7.084 0.02 3 596 63 63 TYR C C 175.593 0.3 1 597 63 63 TYR CA C 56.071 0.3 1 598 63 63 TYR CB C 38.962 0.3 1 599 63 63 TYR N N 116.628 0.3 1 600 64 64 VAL H H 7.296 0.02 1 601 64 64 VAL HA H 3.180 0.02 1 602 64 64 VAL HB H 2.043 0.02 1 603 64 64 VAL HG1 H 1.014 0.02 2 604 64 64 VAL HG2 H 0.889 0.02 2 605 64 64 VAL C C 177.312 0.3 1 606 64 64 VAL CA C 65.688 0.3 1 607 64 64 VAL CB C 30.957 0.3 1 608 64 64 VAL CG1 C 23.529 0.3 2 609 64 64 VAL CG2 C 21.149 0.3 2 610 64 64 VAL N N 117.940 0.3 1 611 65 65 GLY H H 8.449 0.02 1 612 65 65 GLY HA2 H 4.320 0.02 2 613 65 65 GLY HA3 H 3.515 0.02 2 614 65 65 GLY C C 174.821 0.3 1 615 65 65 GLY CA C 44.599 0.3 1 616 65 65 GLY N N 115.317 0.3 1 617 66 66 ILE H H 7.095 0.02 1 618 66 66 ILE HA H 3.193 0.02 1 619 66 66 ILE HB H 1.118 0.02 1 620 66 66 ILE HD1 H 0.347 0.02 1 621 66 66 ILE HG12 H 0.981 0.02 2 622 66 66 ILE HG2 H -0.024 0.02 1 623 66 66 ILE C C 174.308 0.3 1 624 66 66 ILE CA C 63.470 0.3 1 625 66 66 ILE CB C 37.775 0.3 1 626 66 66 ILE CD1 C 15.212 0.3 1 627 66 66 ILE CG1 C 27.691 0.3 1 628 66 66 ILE CG2 C 16.399 0.3 1 629 66 66 ILE N N 122.099 0.3 1 630 67 67 GLU H H 7.126 0.02 1 631 67 67 GLU HA H 5.343 0.02 1 632 67 67 GLU HB2 H 1.970 0.02 2 633 67 67 GLU HG2 H 2.213 0.02 2 634 67 67 GLU HG3 H 2.118 0.02 2 635 67 67 GLU C C 174.652 0.3 1 636 67 67 GLU CA C 54.109 0.3 1 637 67 67 GLU CB C 33.619 0.3 1 638 67 67 GLU CG C 35.995 0.3 1 639 67 67 GLU N N 125.164 0.3 1 640 68 68 GLY H H 8.401 0.02 1 641 68 68 GLY HA2 H 4.364 0.02 2 642 68 68 GLY HA3 H 4.041 0.02 2 643 68 68 GLY C C 171.644 0.3 1 644 68 68 GLY CA C 45.680 0.3 1 645 68 68 GLY N N 109.626 0.3 1 646 69 69 TYR H H 8.422 0.02 1 647 69 69 TYR HA H 5.079 0.02 1 648 69 69 TYR HB2 H 2.265 0.02 2 649 69 69 TYR HD1 H 6.976 0.02 3 650 69 69 TYR C C 176.194 0.3 1 651 69 69 TYR CA C 57.681 0.3 1 652 69 69 TYR CB C 41.043 0.3 1 653 69 69 TYR N N 119.689 0.3 1 654 70 70 VAL H H 8.753 0.02 1 655 70 70 VAL HA H 4.143 0.02 1 656 70 70 VAL HB H 2.751 0.02 1 657 70 70 VAL HG1 H 0.895 0.02 2 658 70 70 VAL HG2 H 0.988 0.02 2 659 70 70 VAL C C 176.540 0.3 1 660 70 70 VAL CA C 63.477 0.3 1 661 70 70 VAL CB C 30.952 0.3 1 662 70 70 VAL CG1 C 23.529 0.3 2 663 70 70 VAL CG2 C 22.951 0.3 2 664 70 70 VAL N N 123.420 0.3 1 665 71 71 ILE H H 9.101 0.02 1 666 71 71 ILE HA H 4.834 0.02 1 667 71 71 ILE HB H 2.002 0.02 1 668 71 71 ILE HD1 H 0.680 0.02 1 669 71 71 ILE HG12 H 1.003 0.02 2 670 71 71 ILE HG2 H 0.475 0.02 1 671 71 71 ILE C C 175.418 0.3 1 672 71 71 ILE CA C 60.637 0.3 1 673 71 71 ILE CB C 39.853 0.3 1 674 71 71 ILE CD1 C 15.507 0.3 1 675 71 71 ILE CG1 C 26.349 0.3 1 676 71 71 ILE CG2 C 18.780 0.3 1 677 71 71 ILE N N 119.913 0.3 1 678 72 72 ASP H H 8.030 0.02 1 679 72 72 ASP HA H 4.964 0.02 1 680 72 72 ASP HB2 H 3.053 0.02 2 681 72 72 ASP HB3 H 2.285 0.02 2 682 72 72 ASP C C 173.017 0.3 1 683 72 72 ASP CA C 53.511 0.3 1 684 72 72 ASP CB C 41.932 0.3 1 685 72 72 ASP N N 118.377 0.3 1 686 73 73 GLU H H 9.349 0.02 1 687 73 73 GLU HA H 4.868 0.02 1 688 73 73 GLU HB2 H 1.862 0.02 2 689 73 73 GLU HG2 H 2.270 0.02 2 690 73 73 GLU C C 173.793 0.3 1 691 73 73 GLU CA C 55.521 0.3 1 692 73 73 GLU CB C 33.138 0.3 1 693 73 73 GLU CG C 35.918 0.3 1 694 73 73 GLU N N 123.848 0.3 1 695 74 74 THR H H 8.748 0.02 1 696 74 74 THR HA H 4.992 0.02 1 697 74 74 THR HB H 4.799 0.02 1 698 74 74 THR HG2 H 1.130 0.02 1 699 74 74 THR CA C 59.450 0.3 1 700 74 74 THR CB C 70.429 0.3 1 701 74 74 THR CG2 C 21.455 0.3 1 702 74 74 THR N N 116.628 0.3 1 703 75 75 ARG HA H 3.741 0.02 1 704 75 75 ARG HB2 H 1.884 0.02 2 705 75 75 ARG HD2 H 3.352 0.02 2 706 75 75 ARG HG2 H 1.983 0.02 2 707 75 75 ARG HG3 H 1.583 0.02 2 708 75 75 ARG C C 177.140 0.3 1 709 75 75 ARG CA C 60.041 0.3 1 710 75 75 ARG CB C 29.930 0.3 1 711 75 75 ARG CD C 43.267 0.3 1 712 75 75 ARG CG C 25.779 0.3 1 713 76 76 ASN H H 8.497 0.02 1 714 76 76 ASN HA H 5.310 0.02 1 715 76 76 ASN HB2 H 2.938 0.02 2 716 76 76 ASN HB3 H 2.637 0.02 2 717 76 76 ASN C C 175.509 0.3 1 718 76 76 ASN CA C 52.320 0.3 1 719 76 76 ASN CB C 40.744 0.3 1 720 76 76 ASN N N 111.053 0.3 1 721 77 77 MET H H 7.528 0.02 1 722 77 77 MET HA H 5.392 0.02 1 723 77 77 MET HB2 H 1.999 0.02 2 724 77 77 MET HB3 H 1.826 0.02 2 725 77 77 MET HG2 H 2.405 0.02 2 726 77 77 MET HG3 H 2.218 0.02 2 727 77 77 MET C C 174.824 0.3 1 728 77 77 MET CA C 54.994 0.3 1 729 77 77 MET CB C 36.753 0.3 1 730 77 77 MET CG C 32.141 0.3 1 731 77 77 MET N N 119.913 0.3 1 732 78 78 LEU H H 8.977 0.02 1 733 78 78 LEU HA H 4.803 0.02 1 734 78 78 LEU HB2 H 1.432 0.02 2 735 78 78 LEU HB3 H 1.211 0.02 2 736 78 78 LEU HD1 H 0.823 0.02 2 737 78 78 LEU HD2 H 0.245 0.02 2 738 78 78 LEU HG H 1.354 0.02 1 739 78 78 LEU C C 174.563 0.3 1 740 78 78 LEU CA C 53.964 0.3 1 741 78 78 LEU CB C 44.903 0.3 1 742 78 78 LEU CD1 C 24.127 0.3 2 743 78 78 LEU CD2 C 25.314 0.3 2 744 78 78 LEU CG C 26.588 0.3 1 745 78 78 LEU N N 121.224 0.3 1 746 79 79 VAL H H 8.115 0.02 1 747 79 79 VAL HA H 4.783 0.02 1 748 79 79 VAL HB H 1.665 0.02 1 749 79 79 VAL HG1 H 0.194 0.02 2 750 79 79 VAL HG2 H 0.759 0.02 2 751 79 79 VAL C C 175.297 0.3 1 752 79 79 VAL CA C 61.821 0.3 1 753 79 79 VAL CB C 31.146 0.3 1 754 79 79 VAL CG1 C 21.151 0.3 2 755 79 79 VAL CG2 C 19.975 0.3 2 756 79 79 VAL N N 124.062 0.3 1 757 80 80 ILE H H 9.342 0.02 1 758 80 80 ILE HA H 4.764 0.02 1 759 80 80 ILE HB H 1.647 0.02 1 760 80 80 ILE HD1 H 0.579 0.02 1 761 80 80 ILE HG12 H 1.449 0.02 2 762 80 80 ILE HG2 H 0.538 0.02 1 763 80 80 ILE C C 174.127 0.3 1 764 80 80 ILE CA C 59.897 0.3 1 765 80 80 ILE CB C 42.225 0.3 1 766 80 80 ILE CD1 C 14.024 0.3 1 767 80 80 ILE CG1 C 27.400 0.3 1 768 80 80 ILE CG2 C 16.562 0.3 1 769 80 80 ILE N N 129.970 0.3 1 770 81 81 ALA H H 9.478 0.02 1 771 81 81 ALA HA H 5.139 0.02 1 772 81 81 ALA HB H 1.366 0.02 1 773 81 81 ALA C C 176.970 0.3 1 774 81 81 ALA CA C 50.835 0.3 1 775 81 81 ALA CB C 21.451 0.3 1 776 81 81 ALA N N 129.756 0.3 1 777 82 82 GLY H H 8.691 0.02 1 778 82 82 GLY HA2 H 5.110 0.02 2 779 82 82 GLY HA3 H 4.241 0.02 2 780 82 82 GLY C C 173.017 0.3 1 781 82 82 GLY CA C 44.166 0.3 1 782 82 82 GLY N N 113.568 0.3 1 783 83 83 GLU H H 8.659 0.02 1 784 83 83 GLU HA H 4.286 0.02 1 785 83 83 GLU HB2 H 2.166 0.02 2 786 83 83 GLU HG2 H 2.507 0.02 2 787 83 83 GLU HG3 H 2.461 0.02 2 788 83 83 GLU C C 177.570 0.3 1 789 83 83 GLU CA C 59.017 0.3 1 790 83 83 GLU CB C 29.762 0.3 1 791 83 83 GLU CG C 36.293 0.3 1 792 83 83 GLU N N 120.019 0.3 1 793 84 84 ASN H H 8.549 0.02 1 794 84 84 ASN HA H 4.821 0.02 1 795 84 84 ASN HB2 H 2.897 0.02 2 796 84 84 ASN C C 173.878 0.3 1 797 84 84 ASN CA C 52.919 0.3 1 798 84 84 ASN CB C 40.150 0.3 1 799 84 84 ASN N N 112.778 0.3 1 800 85 85 LYS H H 7.116 0.02 1 801 85 85 LYS HA H 4.344 0.02 1 802 85 85 LYS HB2 H 1.058 0.02 2 803 85 85 LYS HB3 H 0.914 0.02 2 804 85 85 LYS HD2 H 1.395 0.02 2 805 85 85 LYS HE2 H 2.800 0.02 2 806 85 85 LYS HG2 H 0.820 0.02 2 807 85 85 LYS C C 173.278 0.3 1 808 85 85 LYS CA C 55.292 0.3 1 809 85 85 LYS CB C 36.124 0.3 1 810 85 85 LYS CD C 28.818 0.3 1 811 85 85 LYS CE C 41.928 0.3 1 812 85 85 LYS CG C 23.960 0.3 1 813 85 85 LYS N N 118.377 0.3 1 814 86 86 VAL H H 7.781 0.02 1 815 86 86 VAL HA H 4.749 0.02 1 816 86 86 VAL HB H 1.805 0.02 1 817 86 86 VAL HG1 H 0.809 0.02 2 818 86 86 VAL HG2 H 0.695 0.02 2 819 86 86 VAL C C 174.739 0.3 1 820 86 86 VAL CA C 60.716 0.3 1 821 86 86 VAL CB C 33.619 0.3 1 822 86 86 VAL CG1 C 21.748 0.3 2 823 86 86 VAL CG2 C 21.590 0.3 2 824 86 86 VAL N N 120.127 0.3 1 825 87 87 TRP H H 9.558 0.02 1 826 87 87 TRP HA H 4.958 0.02 1 827 87 87 TRP HB2 H 3.134 0.02 2 828 87 87 TRP HB3 H 2.951 0.02 2 829 87 87 TRP HD1 H 7.234 0.02 1 830 87 87 TRP HE3 H 7.555 0.02 1 831 87 87 TRP C C 174.909 0.3 1 832 87 87 TRP CA C 57.073 0.3 1 833 87 87 TRP CB C 33.028 0.3 1 834 87 87 TRP N N 127.346 0.3 1 835 88 88 LYS H H 8.590 0.02 1 836 88 88 LYS HA H 4.856 0.02 1 837 88 88 LYS HB2 H 1.902 0.02 2 838 88 88 LYS HD2 H 1.812 0.02 2 839 88 88 LYS HE2 H 3.380 0.02 2 840 88 88 LYS HE3 H 3.001 0.02 2 841 88 88 LYS HG2 H 1.542 0.02 2 842 88 88 LYS HG3 H 1.368 0.02 2 843 88 88 LYS C C 175.382 0.3 1 844 88 88 LYS CA C 55.887 0.3 1 845 88 88 LYS CB C 32.434 0.3 1 846 88 88 LYS CD C 29.658 0.3 1 847 88 88 LYS CE C 42.315 0.3 1 848 88 88 LYS CG C 25.589 0.3 1 849 88 88 LYS N N 123.625 0.3 1 850 89 89 VAL H H 8.829 0.02 1 851 89 89 VAL HA H 4.406 0.02 1 852 89 89 VAL HB H 1.846 0.02 1 853 89 89 VAL HG1 H 0.819 0.02 2 854 89 89 VAL HG2 H 0.642 0.02 2 855 89 89 VAL CA C 58.371 0.3 1 856 89 89 VAL CB C 34.512 0.3 1 857 89 89 VAL CG1 C 22.041 0.3 2 858 89 89 VAL CG2 C 22.207 0.3 2 859 89 89 VAL N N 124.285 0.3 1 860 90 90 PRO HA H 5.073 0.02 1 861 90 90 PRO HB2 H 2.359 0.02 2 862 90 90 PRO HB3 H 2.006 0.02 2 863 90 90 PRO HD2 H 3.647 0.02 2 864 90 90 PRO HG2 H 2.189 0.02 2 865 90 90 PRO C C 177.231 0.3 1 866 90 90 PRO CA C 61.795 0.3 1 867 90 90 PRO CB C 31.660 0.3 1 868 91 91 LYS H H 8.116 0.02 1 869 91 91 LYS HA H 4.024 0.02 1 870 91 91 LYS HB2 H 2.057 0.02 2 871 91 91 LYS HD2 H 1.725 0.02 2 872 91 91 LYS HG2 H 1.197 0.02 2 873 91 91 LYS C C 178.518 0.3 1 874 91 91 LYS CA C 59.621 0.3 1 875 91 91 LYS CB C 34.217 0.3 1 876 91 91 LYS CG C 26.777 0.3 1 877 91 91 LYS N N 121.224 0.3 1 878 92 92 ASP H H 8.505 0.02 1 879 92 92 ASP HA H 3.781 0.02 1 880 92 92 ASP HB2 H 2.912 0.02 2 881 92 92 ASP HB3 H 2.600 0.02 2 882 92 92 ASP C C 176.975 0.3 1 883 92 92 ASP CA C 56.773 0.3 1 884 92 92 ASP CB C 39.590 0.3 1 885 92 92 ASP N N 111.815 0.3 1 886 93 93 VAL H H 6.691 0.02 1 887 93 93 VAL HA H 4.678 0.02 1 888 93 93 VAL HB H 2.868 0.02 1 889 93 93 VAL HG1 H 0.927 0.02 2 890 93 93 VAL HG2 H 0.893 0.02 2 891 93 93 VAL C C 176.537 0.3 1 892 93 93 VAL CA C 60.120 0.3 1 893 93 93 VAL CB C 31.093 0.3 1 894 93 93 VAL CG1 C 21.149 0.3 2 895 93 93 VAL CG2 C 18.637 0.3 2 896 93 93 VAL N N 107.879 0.3 1 897 94 94 CYS H H 7.249 0.02 1 898 94 94 CYS HA H 5.062 0.02 1 899 94 94 CYS HB2 H 2.005 0.02 2 900 94 94 CYS HB3 H 1.695 0.02 2 901 94 94 CYS C C 173.103 0.3 1 902 94 94 CYS CA C 58.001 0.3 1 903 94 94 CYS CB C 31.418 0.3 1 904 94 94 CYS N N 117.940 0.3 1 905 95 95 ILE H H 8.153 0.02 1 906 95 95 ILE HA H 4.159 0.02 1 907 95 95 ILE HB H 1.627 0.02 1 908 95 95 ILE HD1 H 0.823 0.02 1 909 95 95 ILE HG12 H 1.178 0.02 2 910 95 95 ILE HG13 H 1.146 0.02 2 911 95 95 ILE HG2 H 0.733 0.02 1 912 95 95 ILE C C 174.736 0.3 1 913 95 95 ILE CA C 61.234 0.3 1 914 95 95 ILE CB C 38.071 0.3 1 915 95 95 ILE CD1 C 11.649 0.3 1 916 95 95 ILE CG1 C 27.396 0.3 1 917 95 95 ILE CG2 C 16.997 0.3 1 918 95 95 ILE N N 121.876 0.3 1 919 96 96 PHE H H 8.400 0.02 1 920 96 96 PHE HA H 5.004 0.02 1 921 96 96 PHE HB2 H 2.577 0.02 2 922 96 96 PHE HB3 H 2.218 0.02 2 923 96 96 PHE HD1 H 6.831 0.02 3 924 96 96 PHE HE1 H 7.170 0.02 3 925 96 96 PHE C C 174.005 0.3 1 926 96 96 PHE CA C 56.922 0.3 1 927 96 96 PHE CB C 44.006 0.3 1 928 96 96 PHE N N 125.820 0.3 1 929 97 97 GLU H H 8.985 0.02 1 930 97 97 GLU HA H 5.275 0.02 1 931 97 97 GLU HB2 H 1.807 0.02 2 932 97 97 GLU HG2 H 2.038 0.02 2 933 97 97 GLU HG3 H 1.838 0.02 2 934 97 97 GLU C C 175.596 0.3 1 935 97 97 GLU CA C 55.070 0.3 1 936 97 97 GLU CB C 33.628 0.3 1 937 97 97 GLU CG C 38.522 0.3 1 938 97 97 GLU N N 121.010 0.3 1 939 98 98 PHE H H 9.304 0.02 1 940 98 98 PHE HA H 5.337 0.02 1 941 98 98 PHE HB2 H 2.889 0.02 2 942 98 98 PHE HB3 H 2.685 0.02 2 943 98 98 PHE HD1 H 7.084 0.02 3 944 98 98 PHE C C 174.650 0.3 1 945 98 98 PHE CA C 57.363 0.3 1 946 98 98 PHE CB C 41.936 0.3 1 947 98 98 PHE N N 128.658 0.3 1 948 99 99 GLU H H 8.721 0.02 1 949 99 99 GLU HA H 5.457 0.02 1 950 99 99 GLU HB2 H 1.864 0.02 2 951 99 99 GLU HB3 H 1.804 0.02 2 952 99 99 GLU HG2 H 2.387 0.02 2 953 99 99 GLU HG3 H 1.989 0.02 2 954 99 99 GLU C C 176.368 0.3 1 955 99 99 GLU CA C 54.401 0.3 1 956 99 99 GLU CB C 33.068 0.3 1 957 99 99 GLU CG C 36.743 0.3 1 958 99 99 GLU N N 122.759 0.3 1 959 100 100 THR H H 8.588 0.02 1 960 100 100 THR HA H 4.603 0.02 1 961 100 100 THR HB H 4.809 0.02 1 962 100 100 THR HG2 H 1.118 0.02 1 963 100 100 THR C C 177.144 0.3 1 964 100 100 THR CA C 60.774 0.3 1 965 100 100 THR CB C 70.136 0.3 1 966 100 100 THR CG2 C 22.041 0.3 1 967 100 100 THR N N 116.191 0.3 1 968 101 101 TRP H H 9.287 0.02 1 969 101 101 TRP HA H 4.591 0.02 1 970 101 101 TRP HB2 H 3.910 0.02 2 971 101 101 TRP HB3 H 3.653 0.02 2 972 101 101 TRP HD1 H 7.554 0.02 1 973 101 101 TRP HE3 H 7.708 0.02 1 974 101 101 TRP C C 176.457 0.3 1 975 101 101 TRP CA C 60.045 0.3 1 976 101 101 TRP CB C 28.578 0.3 1 977 101 101 TRP N N 122.220 0.3 1 978 102 102 ASP H H 7.553 0.02 1 979 102 102 ASP HA H 4.129 0.02 1 980 102 102 ASP HB2 H 2.710 0.02 2 981 102 102 ASP HB3 H 1.507 0.02 2 982 102 102 ASP C C 176.714 0.3 1 983 102 102 ASP CA C 52.775 0.3 1 984 102 102 ASP CB C 39.231 0.3 1 985 102 102 ASP N N 115.763 0.3 1 986 103 103 GLY H H 7.910 0.02 1 987 103 103 GLY HA2 H 4.216 0.02 2 988 103 103 GLY HA3 H 3.686 0.02 2 989 103 103 GLY C C 174.566 0.3 1 990 103 103 GLY CA C 45.179 0.3 1 991 103 103 GLY N N 108.311 0.3 1 992 104 104 THR H H 7.691 0.02 1 993 104 104 THR HA H 4.031 0.02 1 994 104 104 THR HB H 4.341 0.02 1 995 104 104 THR HG2 H 1.221 0.02 1 996 104 104 THR C C 173.405 0.3 1 997 104 104 THR CA C 64.307 0.3 1 998 104 104 THR CB C 68.354 0.3 1 999 104 104 THR CG2 C 21.446 0.3 1 1000 104 104 THR N N 119.913 0.3 1 1001 105 105 LYS H H 8.297 0.02 1 1002 105 105 LYS HA H 5.457 0.02 1 1003 105 105 LYS HB2 H 1.790 0.02 2 1004 105 105 LYS HD2 H 1.559 0.02 2 1005 105 105 LYS HD3 H 1.635 0.02 2 1006 105 105 LYS HE2 H 2.951 0.02 2 1007 105 105 LYS HG2 H 1.323 0.02 2 1008 105 105 LYS C C 177.055 0.3 1 1009 105 105 LYS CA C 54.401 0.3 1 1010 105 105 LYS CB C 34.230 0.3 1 1011 105 105 LYS CD C 28.868 0.3 1 1012 105 105 LYS CE C 42.246 0.3 1 1013 105 105 LYS CG C 25.311 0.3 1 1014 105 105 LYS N N 125.597 0.3 1 1015 106 106 ILE H H 9.238 0.02 1 1016 106 106 ILE HA H 4.289 0.02 1 1017 106 106 ILE HB H 1.654 0.02 1 1018 106 106 ILE HD1 H 0.573 0.02 1 1019 106 106 ILE HG12 H 1.402 0.02 2 1020 106 106 ILE HG2 H 0.819 0.02 1 1021 106 106 ILE C C 174.221 0.3 1 1022 106 106 ILE CA C 60.631 0.3 1 1023 106 106 ILE CB C 41.927 0.3 1 1024 106 106 ILE CD1 C 15.201 0.3 1 1025 106 106 ILE CG1 C 27.705 0.3 1 1026 106 106 ILE CG2 C 18.616 0.3 1 1027 106 106 ILE N N 124.499 0.3 1 1028 107 107 LYS H H 8.650 0.02 1 1029 107 107 LYS HA H 5.608 0.02 1 1030 107 107 LYS HB2 H 1.807 0.02 2 1031 107 107 LYS HD2 H 1.812 0.02 2 1032 107 107 LYS HE2 H 2.951 0.02 2 1033 107 107 LYS HG2 H 1.411 0.02 2 1034 107 107 LYS HG3 H 1.244 0.02 2 1035 107 107 LYS C C 175.681 0.3 1 1036 107 107 LYS CA C 55.248 0.3 1 1037 107 107 LYS CB C 33.618 0.3 1 1038 107 107 LYS CD C 29.590 0.3 1 1039 107 107 LYS CE C 41.770 0.3 1 1040 107 107 LYS CG C 25.336 0.3 1 1041 107 107 LYS N N 130.844 0.3 1 1042 108 108 ILE H H 9.448 0.02 1 1043 108 108 ILE HA H 4.741 0.02 1 1044 108 108 ILE HB H 1.816 0.02 1 1045 108 108 ILE HD1 H 0.840 0.02 1 1046 108 108 ILE HG12 H 1.424 0.02 2 1047 108 108 ILE HG2 H 1.115 0.02 1 1048 108 108 ILE C C 172.670 0.3 1 1049 108 108 ILE CA C 59.157 0.3 1 1050 108 108 ILE CB C 42.241 0.3 1 1051 108 108 ILE CD1 C 14.914 0.3 1 1052 108 108 ILE CG1 C 28.421 0.3 1 1053 108 108 ILE CG2 C 16.407 0.3 1 1054 108 108 ILE N N 125.160 0.3 1 1055 109 109 SER H H 8.490 0.02 1 1056 109 109 SER HA H 4.437 0.02 1 1057 109 109 SER HB2 H 4.062 0.02 2 1058 109 109 SER HB3 H 3.995 0.02 2 1059 109 109 SER C C 176.536 0.3 1 1060 109 109 SER CA C 58.850 0.3 1 1061 109 109 SER CB C 63.010 0.3 1 1062 109 109 SER N N 122.750 0.3 1 1063 110 110 GLY H H 9.292 0.02 1 1064 110 110 GLY HA2 H 5.193 0.02 2 1065 110 110 GLY HA3 H 3.755 0.02 2 1066 110 110 GLY C C 176.964 0.3 1 1067 110 110 GLY CA C 48.168 0.3 1 1068 110 110 GLY N N 116.628 0.3 1 1069 111 111 GLU H H 8.576 0.02 1 1070 111 111 GLU HA H 4.080 0.02 1 1071 111 111 GLU HB2 H 2.216 0.02 2 1072 111 111 GLU HB3 H 2.153 0.02 2 1073 111 111 GLU HG2 H 2.435 0.02 2 1074 111 111 GLU HG3 H 2.320 0.02 2 1075 111 111 GLU C C 178.867 0.3 1 1076 111 111 GLU CA C 59.150 0.3 1 1077 111 111 GLU CB C 28.831 0.3 1 1078 111 111 GLU CG C 35.986 0.3 1 1079 111 111 GLU N N 120.564 0.3 1 1080 112 112 LYS H H 7.605 0.02 1 1081 112 112 LYS HA H 4.229 0.02 1 1082 112 112 LYS HB2 H 1.912 0.02 2 1083 112 112 LYS HD2 H 1.745 0.02 2 1084 112 112 LYS HE2 H 3.001 0.02 2 1085 112 112 LYS HG2 H 1.543 0.02 2 1086 112 112 LYS C C 176.710 0.3 1 1087 112 112 LYS CA C 57.083 0.3 1 1088 112 112 LYS CB C 32.183 0.3 1 1089 112 112 LYS CD C 29.148 0.3 1 1090 112 112 LYS CE C 42.377 0.3 1 1091 112 112 LYS CG C 25.874 0.3 1 1092 112 112 LYS N N 116.628 0.3 1 1093 113 113 LEU H H 7.784 0.02 1 1094 113 113 LEU HA H 4.387 0.02 1 1095 113 113 LEU HB2 H 1.876 0.02 2 1096 113 113 LEU HB3 H 1.549 0.02 2 1097 113 113 LEU HD1 H 0.929 0.02 2 1098 113 113 LEU HD2 H 0.725 0.02 2 1099 113 113 LEU HG H 1.549 0.02 1 1100 113 113 LEU C C 176.195 0.3 1 1101 113 113 LEU CA C 52.617 0.3 1 1102 113 113 LEU CB C 42.820 0.3 1 1103 113 113 LEU CD1 C 25.794 0.3 2 1104 113 113 LEU CD2 C 22.040 0.3 2 1105 113 113 LEU CG C 25.605 0.3 1 1106 113 113 LEU N N 114.219 0.3 1 1107 114 114 VAL H H 7.032 0.02 1 1108 114 114 VAL HA H 3.723 0.02 1 1109 114 114 VAL HB H 2.090 0.02 1 1110 114 114 VAL HG1 H 1.291 0.02 2 1111 114 114 VAL HG2 H 1.027 0.02 2 1112 114 114 VAL C C 175.430 0.3 1 1113 114 114 VAL CA C 65.537 0.3 1 1114 114 114 VAL CB C 32.115 0.3 1 1115 114 114 VAL CG1 C 22.929 0.3 2 1116 114 114 VAL CG2 C 21.149 0.3 2 1117 114 114 VAL N N 121.773 0.3 1 1118 115 115 GLY H H 8.678 0.02 1 1119 115 115 GLY HA2 H 4.313 0.02 2 1120 115 115 GLY HA3 H 3.846 0.02 2 1121 115 115 GLY C C 172.462 0.3 1 1122 115 115 GLY CA C 43.743 0.3 1 1123 115 115 GLY N N 117.503 0.3 1 1124 116 116 ARG H H 8.701 0.02 1 1125 116 116 ARG HA H 3.926 0.02 1 1126 116 116 ARG HB2 H 2.346 0.02 2 1127 116 116 ARG HB3 H 1.823 0.02 2 1128 116 116 ARG HD2 H 3.219 0.02 2 1129 116 116 ARG HG2 H 1.983 0.02 2 1130 116 116 ARG CA C 56.470 0.3 1 1131 116 116 ARG CB C 29.585 0.3 1 1132 116 116 ARG CD C 43.800 0.3 1 1133 116 116 ARG N N 123.504 0.3 1 1134 117 117 PRO HA H 4.242 0.02 1 1135 117 117 PRO HB2 H 2.551 0.02 2 1136 117 117 PRO HB3 H 1.946 0.02 2 1137 117 117 PRO HD2 H 3.851 0.02 2 1138 117 117 PRO HD3 H 3.222 0.02 2 1139 117 117 PRO HG2 H 2.322 0.02 2 1140 117 117 PRO C C 178.947 0.3 1 1141 117 117 PRO CA C 65.684 0.3 1 1142 117 117 PRO CB C 30.949 0.3 1 1143 117 117 PRO CD C 49.655 0.3 1 1144 117 117 PRO CG C 27.774 0.3 1 1145 118 118 GLU H H 10.821 0.02 1 1146 118 118 GLU HA H 4.197 0.02 1 1147 118 118 GLU C C 176.627 0.3 1 1148 118 118 GLU CA C 58.045 0.3 1 1149 118 118 GLU CB C 27.101 0.3 1 1150 118 118 GLU N N 119.242 0.3 1 1151 119 119 MET H H 7.226 0.02 1 1152 119 119 MET HA H 4.591 0.02 1 1153 119 119 MET HB2 H 2.228 0.02 2 1154 119 119 MET HG2 H 2.967 0.02 2 1155 119 119 MET C C 180.024 0.3 1 1156 119 119 MET CA C 54.695 0.3 1 1157 119 119 MET CB C 31.012 0.3 1 1158 119 119 MET CG C 32.614 0.3 1 1159 119 119 MET N N 119.475 0.3 1 1160 120 120 ARG H H 7.877 0.02 1 1161 120 120 ARG HA H 3.988 0.02 1 1162 120 120 ARG HB2 H 1.984 0.02 2 1163 120 120 ARG HB3 H 1.837 0.02 2 1164 120 120 ARG HD2 H 2.957 0.02 2 1165 120 120 ARG HD3 H 2.737 0.02 2 1166 120 120 ARG HG2 H 1.571 0.02 2 1167 120 120 ARG HG3 H 1.230 0.02 2 1168 120 120 ARG C C 177.705 0.3 1 1169 120 120 ARG CA C 60.773 0.3 1 1170 120 120 ARG CB C 31.159 0.3 1 1171 120 120 ARG N N 122.099 0.3 1 1172 121 121 LEU H H 6.732 0.02 1 1173 121 121 LEU HA H 4.170 0.02 1 1174 121 121 LEU HB2 H 1.740 0.02 2 1175 121 121 LEU HB3 H 1.597 0.02 2 1176 121 121 LEU HD1 H 1.034 0.02 2 1177 121 121 LEU HD2 H 0.938 0.02 2 1178 121 121 LEU HG H 1.611 0.02 1 1179 121 121 LEU C C 176.220 0.3 1 1180 121 121 LEU CA C 57.370 0.3 1 1181 121 121 LEU CB C 42.945 0.3 1 1182 121 121 LEU CD1 C 25.908 0.3 2 1183 121 121 LEU CD2 C 24.421 0.3 2 1184 121 121 LEU N N 114.436 0.3 1 1185 122 122 LYS H H 7.555 0.02 1 1186 122 122 LYS HA H 4.338 0.02 1 1187 122 122 LYS HB2 H 2.083 0.02 2 1188 122 122 LYS HD2 H 1.912 0.02 2 1189 122 122 LYS HD3 H 1.745 0.02 2 1190 122 122 LYS HE2 H 3.108 0.02 2 1191 122 122 LYS HG2 H 1.597 0.02 2 1192 122 122 LYS HG3 H 1.511 0.02 2 1193 122 122 LYS C C 176.969 0.3 1 1194 122 122 LYS CA C 55.621 0.3 1 1195 122 122 LYS CB C 32.414 0.3 1 1196 122 122 LYS CD C 28.616 0.3 1 1197 122 122 LYS CE C 41.838 0.3 1 1198 122 122 LYS CG C 24.720 0.3 1 1199 122 122 LYS N N 115.754 0.3 1 1200 123 123 LYS H H 7.688 0.02 1 1201 123 123 LYS HA H 4.535 0.02 1 1202 123 123 LYS CA C 58.461 0.3 1 1203 123 123 LYS CB C 33.138 0.3 1 1204 123 123 LYS N N 120.843 0.3 1 1205 126 126 ARG HA H 4.347 0.02 1 1206 126 126 ARG HB2 H 1.862 0.02 2 1207 126 126 ARG HB3 H 1.733 0.02 2 1208 126 126 ARG HD2 H 3.195 0.02 2 1209 126 126 ARG HG2 H 1.564 0.02 2 1210 126 126 ARG C C 174.573 0.3 1 1211 126 126 ARG CA C 55.998 0.3 1 1212 126 126 ARG CB C 31.569 0.3 1 1213 126 126 ARG CD C 43.419 0.3 1 1214 126 126 ARG CG C 26.794 0.3 1 1215 127 127 LYS H H 7.741 0.02 1 1216 127 127 LYS HA H 4.050 0.02 1 1217 127 127 LYS HB2 H 1.744 0.02 2 1218 127 127 LYS CA C 57.988 0.3 1 1219 127 127 LYS CB C 33.621 0.3 1 1220 127 127 LYS N N 127.991 0.3 1 stop_ save_ save_complex_ppm_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRDraw $NMRView $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH TOCSY' '3D H(C)(CO)NH TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name 'Subunit 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 1 301 1 MET C C 179.364 0.3 1 2 301 1 MET CA C 57.970 0.3 1 3 302 2 ALA H H 8.331 0.02 1 4 302 2 ALA C C 179.967 0.3 1 5 302 2 ALA CA C 55.031 0.3 1 6 302 2 ALA CB C 18.455 0.3 1 7 302 2 ALA N N 126.174 0.3 1 8 303 3 LYS H H 8.458 0.02 1 9 303 3 LYS HB2 H 1.721 0.02 2 10 303 3 LYS CA C 57.043 0.3 1 11 303 3 LYS N N 118.539 0.3 1 12 309 9 GLU HA H 4.305 0.02 1 13 309 9 GLU HB2 H 2.132 0.02 2 14 309 9 GLU HG2 H 2.392 0.02 2 15 309 9 GLU HG3 H 2.500 0.02 2 16 309 9 GLU C C 178.673 0.3 1 17 309 9 GLU CA C 58.902 0.3 1 18 309 9 GLU CB C 29.308 0.3 1 19 309 9 GLU CG C 35.555 0.3 1 20 310 10 LYS H H 8.147 0.02 1 21 310 10 LYS HA H 3.658 0.02 1 22 310 10 LYS HB2 H 1.696 0.02 2 23 310 10 LYS HG2 H 1.590 0.02 2 24 310 10 LYS C C 178.590 0.3 1 25 310 10 LYS CA C 60.240 0.3 1 26 310 10 LYS CB C 32.122 0.3 1 27 310 10 LYS CD C 29.234 0.3 1 28 310 10 LYS CG C 25.287 0.3 1 29 310 10 LYS N N 118.293 0.3 1 30 311 11 LYS H H 7.624 0.02 1 31 311 11 LYS HA H 3.978 0.02 1 32 311 11 LYS HB2 H 2.069 0.02 2 33 311 11 LYS HB3 H 1.890 0.02 2 34 311 11 LYS HD2 H 1.790 0.02 2 35 311 11 LYS HE2 H 3.137 0.02 2 36 311 11 LYS HG2 H 1.718 0.02 2 37 311 11 LYS HG3 H 1.511 0.02 2 38 311 11 LYS C C 178.159 0.3 1 39 311 11 LYS CA C 60.008 0.3 1 40 311 11 LYS CB C 32.171 0.3 1 41 311 11 LYS CD C 29.165 0.3 1 42 311 11 LYS CG C 26.046 0.3 1 43 311 11 LYS N N 118.842 0.3 1 44 312 12 ARG H H 7.676 0.02 1 45 312 12 ARG HA H 4.001 0.02 1 46 312 12 ARG HB2 H 2.157 0.02 2 47 312 12 ARG HB3 H 2.017 0.02 2 48 312 12 ARG HD2 H 3.475 0.02 2 49 312 12 ARG HD3 H 3.316 0.02 2 50 312 12 ARG HG2 H 1.955 0.02 2 51 312 12 ARG HG3 H 1.790 0.02 2 52 312 12 ARG C C 179.624 0.3 1 53 312 12 ARG CA C 60.080 0.3 1 54 312 12 ARG CB C 29.609 0.3 1 55 312 12 ARG CD C 43.323 0.3 1 56 312 12 ARG CG C 27.260 0.3 1 57 312 12 ARG N N 120.468 0.3 1 58 313 13 ILE H H 8.419 0.02 1 59 313 13 ILE HA H 3.514 0.02 1 60 313 13 ILE HB H 1.821 0.02 1 61 313 13 ILE HD1 H 0.266 0.02 1 62 313 13 ILE HG12 H 1.091 0.02 2 63 313 13 ILE HG2 H 1.234 0.02 1 64 313 13 ILE C C 177.563 0.3 1 65 313 13 ILE CA C 64.927 0.3 1 66 313 13 ILE CB C 38.146 0.3 1 67 313 13 ILE CD1 C 13.662 0.3 1 68 313 13 ILE CG1 C 29.666 0.3 1 69 313 13 ILE CG2 C 15.554 0.3 1 70 313 13 ILE N N 120.255 0.3 1 71 314 14 ALA H H 8.449 0.02 1 72 314 14 ALA HA H 3.660 0.02 1 73 314 14 ALA HB H 1.381 0.02 1 74 314 14 ALA C C 178.508 0.3 1 75 314 14 ALA CA C 55.861 0.3 1 76 314 14 ALA CB C 19.135 0.3 1 77 314 14 ALA N N 122.004 0.3 1 78 315 15 LYS H H 7.623 0.02 1 79 315 15 LYS HA H 3.948 0.02 1 80 315 15 LYS HB2 H 2.037 0.02 2 81 315 15 LYS HD2 H 1.874 0.02 2 82 315 15 LYS HE2 H 3.089 0.02 2 83 315 15 LYS HG2 H 1.609 0.02 2 84 315 15 LYS C C 179.104 0.3 1 85 315 15 LYS CA C 60.548 0.3 1 86 315 15 LYS CB C 32.171 0.3 1 87 315 15 LYS CD C 29.614 0.3 1 88 315 15 LYS CG C 25.328 0.3 1 89 315 15 LYS N N 115.658 0.3 1 90 316 16 GLU H H 7.848 0.02 1 91 316 16 GLU HA H 4.245 0.02 1 92 316 16 GLU HB2 H 2.467 0.02 2 93 316 16 GLU HB3 H 2.255 0.02 2 94 316 16 GLU HG2 H 2.745 0.02 2 95 316 16 GLU HG3 H 2.391 0.02 2 96 316 16 GLU C C 179.104 0.3 1 97 316 16 GLU CA C 59.923 0.3 1 98 316 16 GLU CB C 30.551 0.3 1 99 316 16 GLU CG C 37.427 0.3 1 100 316 16 GLU N N 120.468 0.3 1 101 317 17 ARG H H 8.948 0.02 1 102 317 17 ARG HA H 3.867 0.02 1 103 317 17 ARG HB2 H 1.776 0.02 2 104 317 17 ARG HD2 H 3.205 0.02 2 105 317 17 ARG HG2 H 1.608 0.02 2 106 317 17 ARG C C 177.379 0.3 1 107 317 17 ARG CA C 61.171 0.3 1 108 317 17 ARG CB C 28.987 0.3 1 109 317 17 ARG CD C 43.358 0.3 1 110 317 17 ARG CG C 27.108 0.3 1 111 317 17 ARG N N 117.945 0.3 1 112 318 18 ILE H H 7.869 0.02 1 113 318 18 ILE HA H 3.542 0.02 1 114 318 18 ILE HB H 2.007 0.02 1 115 318 18 ILE HD1 H 0.760 0.02 1 116 318 18 ILE HG12 H 1.104 0.02 2 117 318 18 ILE HG2 H 1.178 0.02 1 118 318 18 ILE C C 176.789 0.3 1 119 318 18 ILE CA C 66.173 0.3 1 120 318 18 ILE CB C 38.666 0.3 1 121 318 18 ILE CD1 C 14.918 0.3 1 122 318 18 ILE CG1 C 29.637 0.3 1 123 318 18 ILE CG2 C 18.680 0.3 1 124 318 18 ILE N N 116.969 0.3 1 125 319 19 ASP H H 7.594 0.02 1 126 319 19 ASP HA H 4.615 0.02 1 127 319 19 ASP HB2 H 3.027 0.02 2 128 319 19 ASP HB3 H 2.956 0.02 2 129 319 19 ASP C C 179.282 0.3 1 130 319 19 ASP CA C 57.766 0.3 1 131 319 19 ASP CB C 42.441 0.3 1 132 319 19 ASP N N 118.495 0.3 1 133 320 20 ILE H H 8.570 0.02 1 134 320 20 ILE HA H 3.542 0.02 1 135 320 20 ILE HB H 1.905 0.02 1 136 320 20 ILE HD1 H 0.908 0.02 1 137 320 20 ILE HG2 H 0.602 0.02 1 138 320 20 ILE C C 177.309 0.3 1 139 320 20 ILE CA C 66.003 0.3 1 140 320 20 ILE CB C 38.675 0.3 1 141 320 20 ILE CD1 C 12.735 0.3 1 142 320 20 ILE CG1 C 30.663 0.3 1 143 320 20 ILE CG2 C 16.964 0.3 1 144 320 20 ILE N N 122.811 0.3 1 145 321 21 LEU H H 8.481 0.02 1 146 321 21 LEU HA H 3.644 0.02 1 147 321 21 LEU HB2 H 1.660 0.02 2 148 321 21 LEU HD1 H 0.763 0.02 2 149 321 21 LEU HD2 H 0.675 0.02 2 150 321 21 LEU HG H 1.143 0.02 1 151 321 21 LEU C C 179.574 0.3 1 152 321 21 LEU CA C 58.701 0.3 1 153 321 21 LEU CB C 42.109 0.3 1 154 321 21 LEU CD1 C 24.611 0.3 2 155 321 21 LEU CD2 C 21.524 0.3 2 156 321 21 LEU CG C 27.737 0.3 1 157 321 21 LEU N N 121.342 0.3 1 158 322 22 PHE H H 7.891 0.02 1 159 322 22 PHE HA H 3.537 0.02 1 160 322 22 PHE HB2 H 1.266 0.02 2 161 322 22 PHE HB3 H 0.454 0.02 2 162 322 22 PHE HD1 H 7.037 0.02 3 163 322 22 PHE HE1 H 7.903 0.02 3 164 322 22 PHE C C 177.468 0.3 1 165 322 22 PHE CA C 62.907 0.3 1 166 322 22 PHE CB C 35.864 0.3 1 167 322 22 PHE N N 116.746 0.3 1 168 323 23 SER H H 7.774 0.02 1 169 323 23 SER HA H 4.347 0.02 1 170 323 23 SER HB2 H 3.991 0.02 2 171 323 23 SER C C 177.905 0.3 1 172 323 23 SER CA C 62.615 0.3 1 173 323 23 SER CB C 62.596 0.3 1 174 323 23 SER N N 114.784 0.3 1 175 324 24 LEU H H 8.583 0.02 1 176 324 24 LEU HA H 3.862 0.02 1 177 324 24 LEU HB2 H 1.748 0.02 2 178 324 24 LEU HD1 H 0.533 0.02 2 179 324 24 LEU HD2 H 0.682 0.02 2 180 324 24 LEU HG H 1.216 0.02 1 181 324 24 LEU C C 178.514 0.3 1 182 324 24 LEU CA C 57.738 0.3 1 183 324 24 LEU CB C 42.083 0.3 1 184 324 24 LEU CD1 C 26.480 0.3 2 185 324 24 LEU CD2 C 24.299 0.3 2 186 324 24 LEU CG C 28.680 0.3 1 187 324 24 LEU N N 123.966 0.3 1 188 325 25 ALA H H 8.412 0.02 1 189 325 25 ALA HA H 3.896 0.02 1 190 325 25 ALA HB H 1.173 0.02 1 191 325 25 ALA C C 177.816 0.3 1 192 325 25 ALA CA C 55.553 0.3 1 193 325 25 ALA CB C 17.738 0.3 1 194 325 25 ALA N N 124.739 0.3 1 195 326 26 GLU H H 7.631 0.02 1 196 326 26 GLU HA H 3.632 0.02 1 197 326 26 GLU HB2 H 2.495 0.02 2 198 326 26 GLU HB3 H 2.344 0.02 2 199 326 26 GLU HG2 H 2.537 0.02 2 200 326 26 GLU C C 178.850 0.3 1 201 326 26 GLU CA C 59.093 0.3 1 202 326 26 GLU CB C 30.246 0.3 1 203 326 26 GLU CG C 36.800 0.3 1 204 326 26 GLU N N 116.275 0.3 1 205 327 27 ARG H H 7.428 0.02 1 206 327 27 ARG HA H 4.173 0.02 1 207 327 27 ARG HB2 H 1.832 0.02 2 208 327 27 ARG HD2 H 3.253 0.02 2 209 327 27 ARG HD3 H 3.092 0.02 2 210 327 27 ARG HG2 H 1.737 0.02 2 211 327 27 ARG C C 177.988 0.3 1 212 327 27 ARG CA C 58.033 0.3 1 213 327 27 ARG CB C 30.868 0.3 1 214 327 27 ARG CD C 43.376 0.3 1 215 327 27 ARG CG C 27.302 0.3 1 216 327 27 ARG N N 116.107 0.3 1 217 328 28 VAL H H 8.434 0.02 1 218 328 28 VAL HA H 4.305 0.02 1 219 328 28 VAL HB H 2.236 0.02 1 220 328 28 VAL HG1 H 1.098 0.02 2 221 328 28 VAL HG2 H 1.125 0.02 2 222 328 28 VAL C C 177.043 0.3 1 223 328 28 VAL CA C 62.634 0.3 1 224 328 28 VAL CB C 33.048 0.3 1 225 328 28 VAL CG1 C 21.490 0.3 2 226 328 28 VAL CG2 C 21.797 0.3 2 227 328 28 VAL N N 111.606 0.3 1 228 329 29 PHE H H 8.167 0.02 1 229 329 29 PHE HA H 3.919 0.02 1 230 329 29 PHE HB2 H 3.376 0.02 2 231 329 29 PHE HB3 H 3.093 0.02 2 232 329 29 PHE HD1 H 7.170 0.02 3 233 329 29 PHE HE1 H 7.537 0.02 3 234 329 29 PHE CA C 64.000 0.3 1 235 329 29 PHE CB C 37.119 0.3 1 236 329 29 PHE N N 125.199 0.3 1 237 330 30 PRO HA H 4.024 0.02 1 238 330 30 PRO HB2 H 2.123 0.02 2 239 330 30 PRO HD2 H 3.481 0.02 2 240 330 30 PRO HD3 H 3.347 0.02 2 241 330 30 PRO HG2 H 1.899 0.02 2 242 330 30 PRO HG3 H 2.002 0.02 2 243 330 30 PRO C C 176.059 0.3 1 244 330 30 PRO CA C 64.930 0.3 1 245 330 30 PRO CB C 30.547 0.3 1 246 330 30 PRO CD C 50.128 0.3 1 247 330 30 PRO CG C 28.064 0.3 1 248 331 31 TYR H H 7.523 0.02 1 249 331 31 TYR HA H 4.536 0.02 1 250 331 31 TYR HB2 H 3.133 0.02 2 251 331 31 TYR HB3 H 2.517 0.02 2 252 331 31 TYR HD1 H 7.042 0.02 3 253 331 31 TYR HE1 H 6.936 0.02 3 254 331 31 TYR C C 176.015 0.3 1 255 331 31 TYR CA C 57.848 0.3 1 256 331 31 TYR CB C 40.053 0.3 1 257 331 31 TYR N N 114.022 0.3 1 258 332 32 SER H H 8.162 0.02 1 259 332 32 SER HA H 4.831 0.02 1 260 332 32 SER HB2 H 3.734 0.02 2 261 332 32 SER HB3 H 3.612 0.02 2 262 332 32 SER CA C 54.613 0.3 1 263 332 32 SER CB C 62.426 0.3 1 264 332 32 SER N N 109.532 0.3 1 265 333 33 PRO HA H 4.237 0.02 1 266 333 33 PRO HB2 H 2.286 0.02 2 267 333 33 PRO HG2 H 1.972 0.02 2 268 333 33 PRO C C 179.111 0.3 1 269 333 33 PRO CA C 65.233 0.3 1 270 333 33 PRO CB C 31.981 0.3 1 271 333 33 PRO CD C 49.920 0.3 1 272 333 33 PRO CG C 27.737 0.3 1 273 334 34 GLU H H 8.441 0.02 1 274 334 34 GLU HA H 4.130 0.02 1 275 334 34 GLU HB2 H 1.972 0.02 2 276 334 34 GLU HG2 H 2.202 0.02 2 277 334 34 GLU C C 179.193 0.3 1 278 334 34 GLU CA C 59.473 0.3 1 279 334 34 GLU CB C 29.169 0.3 1 280 334 34 GLU CG C 36.182 0.3 1 281 334 34 GLU N N 117.475 0.3 1 282 335 35 LEU H H 7.870 0.02 1 283 335 35 LEU HA H 3.998 0.02 1 284 335 35 LEU HB2 H 1.606 0.02 2 285 335 35 LEU HB3 H 1.511 0.02 2 286 335 35 LEU HD1 H 1.028 0.02 2 287 335 35 LEU HD2 H 0.910 0.02 2 288 335 35 LEU HG H 1.342 0.02 1 289 335 35 LEU C C 176.960 0.3 1 290 335 35 LEU CA C 56.800 0.3 1 291 335 35 LEU CB C 41.174 0.3 1 292 335 35 LEU CD1 C 24.924 0.3 2 293 335 35 LEU CD2 C 23.031 0.3 2 294 335 35 LEU CG C 28.242 0.3 1 295 335 35 LEU N N 124.190 0.3 1 296 336 36 ALA H H 7.587 0.02 1 297 336 36 ALA HA H 3.725 0.02 1 298 336 36 ALA HB H 1.709 0.02 1 299 336 36 ALA C C 178.419 0.3 1 300 336 36 ALA CA C 55.553 0.3 1 301 336 36 ALA CB C 18.673 0.3 1 302 336 36 ALA N N 119.818 0.3 1 303 337 37 LYS H H 7.844 0.02 1 304 337 37 LYS HA H 4.248 0.02 1 305 337 37 LYS HB2 H 2.193 0.02 2 306 337 37 LYS HB3 H 2.015 0.02 2 307 337 37 LYS HD2 H 1.783 0.02 2 308 337 37 LYS HE2 H 3.077 0.02 2 309 337 37 LYS HG2 H 1.410 0.02 2 310 337 37 LYS C C 177.734 0.3 1 311 337 37 LYS CA C 59.324 0.3 1 312 337 37 LYS CB C 32.139 0.3 1 313 337 37 LYS CD C 29.247 0.3 1 314 337 37 LYS CE C 42.110 0.3 1 315 337 37 LYS CG C 24.810 0.3 1 316 337 37 LYS N N 116.970 0.3 1 317 338 38 ARG H H 7.493 0.02 1 318 338 38 ARG HA H 4.240 0.02 1 319 338 38 ARG HB2 H 1.928 0.02 2 320 338 38 ARG HD2 H 3.606 0.02 2 321 338 38 ARG HD3 H 3.113 0.02 2 322 338 38 ARG HG2 H 1.661 0.02 2 323 338 38 ARG C C 177.816 0.3 1 324 338 38 ARG CA C 58.306 0.3 1 325 338 38 ARG CB C 28.554 0.3 1 326 338 38 ARG CD C 42.731 0.3 1 327 338 38 ARG CG C 25.763 0.3 1 328 338 38 ARG N N 121.129 0.3 1 329 339 39 TYR H H 7.770 0.02 1 330 339 39 TYR HA H 4.610 0.02 1 331 339 39 TYR HB2 H 3.208 0.02 2 332 339 39 TYR HB3 H 2.990 0.02 2 333 339 39 TYR HD1 H 6.786 0.02 3 334 339 39 TYR HE1 H 6.570 0.02 3 335 339 39 TYR C C 178.159 0.3 1 336 339 39 TYR CA C 58.048 0.3 1 337 339 39 TYR CB C 35.242 0.3 1 338 339 39 TYR N N 120.031 0.3 1 339 340 40 VAL H H 7.995 0.02 1 340 340 40 VAL HA H 4.194 0.02 1 341 340 40 VAL HB H 2.572 0.02 1 342 340 40 VAL HG1 H 1.024 0.02 2 343 340 40 VAL HG2 H 0.679 0.02 2 344 340 40 VAL C C 177.652 0.3 1 345 340 40 VAL CA C 67.177 0.3 1 346 340 40 VAL CB C 31.315 0.3 1 347 340 40 VAL CG1 C 22.760 0.3 2 348 340 40 VAL CG2 C 21.796 0.3 2 349 340 40 VAL N N 121.017 0.3 1 350 341 41 GLU H H 8.815 0.02 1 351 341 41 GLU HA H 3.693 0.02 1 352 341 41 GLU HB2 H 2.302 0.02 2 353 341 41 GLU HB3 H 2.096 0.02 2 354 341 41 GLU HG2 H 2.250 0.02 2 355 341 41 GLU HG3 H 2.202 0.02 2 356 341 41 GLU C C 180.227 0.3 1 357 341 41 GLU CA C 60.080 0.3 1 358 341 41 GLU CB C 28.827 0.3 1 359 341 41 GLU CG C 36.463 0.3 1 360 341 41 GLU N N 118.282 0.3 1 361 342 42 LEU H H 8.525 0.02 1 362 342 42 LEU HA H 4.101 0.02 1 363 342 42 LEU HB2 H 2.025 0.02 2 364 342 42 LEU HB3 H 1.652 0.02 2 365 342 42 LEU HD1 H 1.102 0.02 2 366 342 42 LEU HD2 H 1.008 0.02 2 367 342 42 LEU HG H 1.930 0.02 1 368 342 42 LEU C C 178.165 0.3 1 369 342 42 LEU CA C 58.050 0.3 1 370 342 42 LEU CB C 42.117 0.3 1 371 342 42 LEU CD1 C 25.243 0.3 2 372 342 42 LEU CD2 C 23.676 0.3 2 373 342 42 LEU CG C 26.487 0.3 1 374 342 42 LEU N N 119.829 0.3 1 375 343 43 ALA H H 8.300 0.02 1 376 343 43 ALA HA H 3.697 0.02 1 377 343 43 ALA HB H 1.276 0.02 1 378 343 43 ALA C C 179.967 0.3 1 379 343 43 ALA CA C 55.551 0.3 1 380 343 43 ALA CB C 18.205 0.3 1 381 343 43 ALA N N 124.840 0.3 1 382 344 44 LEU H H 8.298 0.02 1 383 344 44 LEU HA H 4.078 0.02 1 384 344 44 LEU HB2 H 1.843 0.02 2 385 344 44 LEU HB3 H 1.809 0.02 2 386 344 44 LEU HD1 H 0.310 0.02 2 387 344 44 LEU HD2 H 0.509 0.02 2 388 344 44 LEU HG H 1.282 0.02 1 389 344 44 LEU C C 180.823 0.3 1 390 344 44 LEU CA C 57.400 0.3 1 391 344 44 LEU CB C 40.496 0.3 1 392 344 44 LEU CD1 C 24.615 0.3 2 393 344 44 LEU CD2 C 21.128 0.3 2 394 344 44 LEU CG C 26.239 0.3 1 395 344 44 LEU N N 117.620 0.3 1 396 345 45 LEU H H 8.090 0.02 1 397 345 45 LEU HA H 4.155 0.02 1 398 345 45 LEU HB2 H 2.243 0.02 2 399 345 45 LEU HB3 H 1.236 0.02 2 400 345 45 LEU HD1 H 0.907 0.02 2 401 345 45 LEU HD2 H 0.910 0.02 2 402 345 45 LEU HG H 1.877 0.02 1 403 345 45 LEU C C 180.049 0.3 1 404 345 45 LEU CA C 58.042 0.3 1 405 345 45 LEU CB C 42.118 0.3 1 406 345 45 LEU CD1 C 25.236 0.3 2 407 345 45 LEU CD2 C 22.737 0.3 2 408 345 45 LEU N N 122.889 0.3 1 409 346 46 VAL H H 8.657 0.02 1 410 346 46 VAL HA H 3.391 0.02 1 411 346 46 VAL HB H 2.259 0.02 1 412 346 46 VAL HG1 H 0.939 0.02 2 413 346 46 VAL C C 177.734 0.3 1 414 346 46 VAL CA C 67.736 0.3 1 415 346 46 VAL CB C 30.944 0.3 1 416 346 46 VAL CG1 C 22.424 0.3 2 417 346 46 VAL N N 122.004 0.3 1 418 347 47 GLN H H 8.580 0.02 1 419 347 47 GLN HA H 3.731 0.02 1 420 347 47 GLN HB2 H 2.723 0.02 2 421 347 47 GLN HB3 H 2.014 0.02 2 422 347 47 GLN HG2 H 2.528 0.02 2 423 347 47 GLN HG3 H 2.220 0.02 2 424 347 47 GLN C C 178.413 0.3 1 425 347 47 GLN CA C 60.239 0.3 1 426 347 47 GLN CB C 26.802 0.3 1 427 347 47 GLN CG C 32.736 0.3 1 428 347 47 GLN N N 120.255 0.3 1 429 348 48 GLN H H 7.985 0.02 1 430 348 48 GLN HA H 4.076 0.02 1 431 348 48 GLN HB2 H 2.283 0.02 2 432 348 48 GLN HG2 H 2.691 0.02 2 433 348 48 GLN HG3 H 2.481 0.02 2 434 348 48 GLN C C 178.597 0.3 1 435 348 48 GLN CA C 58.379 0.3 1 436 348 48 GLN CB C 28.993 0.3 1 437 348 48 GLN CG C 34.302 0.3 1 438 348 48 GLN N N 117.620 0.3 1 439 349 49 LYS H H 8.064 0.02 1 440 349 49 LYS HA H 4.218 0.02 1 441 349 49 LYS HB2 H 2.011 0.02 2 442 349 49 LYS HB3 H 1.902 0.02 2 443 349 49 LYS HD2 H 1.728 0.02 2 444 349 49 LYS HE2 H 2.901 0.02 2 445 349 49 LYS HE3 H 3.032 0.02 2 446 349 49 LYS HG2 H 1.428 0.02 2 447 349 49 LYS C C 178.159 0.3 1 448 349 49 LYS CA C 57.412 0.3 1 449 349 49 LYS CB C 31.818 0.3 1 450 349 49 LYS CD C 27.731 0.3 1 451 349 49 LYS CE C 42.775 0.3 1 452 349 49 LYS CG C 24.266 0.3 1 453 349 49 LYS N N 117.531 0.3 1 454 350 50 ALA H H 8.330 0.02 1 455 350 50 ALA HA H 4.344 0.02 1 456 350 50 ALA HB H 1.328 0.02 1 457 350 50 ALA C C 176.186 0.3 1 458 350 50 ALA CA C 52.117 0.3 1 459 350 50 ALA CB C 21.170 0.3 1 460 350 50 ALA N N 118.943 0.3 1 461 351 51 LYS H H 8.096 0.02 1 462 351 51 LYS HA H 4.025 0.02 1 463 351 51 LYS HB2 H 2.080 0.02 2 464 351 51 LYS HB3 H 1.924 0.02 2 465 351 51 LYS HD2 H 1.724 0.02 2 466 351 51 LYS HE2 H 3.080 0.02 2 467 351 51 LYS HG2 H 1.416 0.02 2 468 351 51 LYS C C 175.844 0.3 1 469 351 51 LYS CA C 57.041 0.3 1 470 351 51 LYS CB C 28.690 0.3 1 471 351 51 LYS CD C 27.120 0.3 1 472 351 51 LYS CE C 42.116 0.3 1 473 351 51 LYS CG C 24.810 0.3 1 474 351 51 LYS N N 115.558 0.3 1 475 352 52 VAL H H 6.878 0.02 1 476 352 52 VAL HA H 4.853 0.02 1 477 352 52 VAL HB H 2.341 0.02 1 478 352 52 VAL HG1 H 1.035 0.02 2 479 352 52 VAL HG2 H 0.763 0.02 2 480 352 52 VAL C C 174.982 0.3 1 481 352 52 VAL CA C 58.364 0.3 1 482 352 52 VAL CB C 34.387 0.3 1 483 352 52 VAL CG1 C 22.108 0.3 2 484 352 52 VAL CG2 C 19.214 0.3 2 485 352 52 VAL N N 109.747 0.3 1 486 353 53 LYS H H 8.139 0.02 1 487 353 53 LYS HA H 4.485 0.02 1 488 353 53 LYS HB2 H 1.856 0.02 2 489 353 53 LYS HD2 H 1.708 0.02 2 490 353 53 LYS HE2 H 3.080 0.02 2 491 353 53 LYS HG2 H 1.611 0.02 2 492 353 53 LYS C C 176.781 0.3 1 493 353 53 LYS CA C 55.324 0.3 1 494 353 53 LYS CB C 33.527 0.3 1 495 353 53 LYS CD C 29.165 0.3 1 496 353 53 LYS CE C 42.230 0.3 1 497 353 53 LYS CG C 25.287 0.3 1 498 353 53 LYS N N 120.827 0.3 1 499 354 54 ILE H H 8.315 0.02 1 500 354 54 ILE CA C 58.511 0.3 1 501 354 54 ILE CB C 38.244 0.3 1 502 354 54 ILE N N 123.091 0.3 1 503 357 57 LYS HA H 3.795 0.02 1 504 357 57 LYS HB2 H 1.457 0.02 2 505 357 57 LYS HB3 H 0.932 0.02 2 506 357 57 LYS HD2 H 1.163 0.02 2 507 357 57 LYS HE2 H 2.522 0.02 2 508 357 57 LYS HE3 H 2.269 0.02 2 509 357 57 LYS HG2 H 0.233 0.02 2 510 357 57 LYS HG3 H 0.114 0.02 2 511 357 57 LYS C C 176.443 0.3 1 512 357 57 LYS CA C 58.663 0.3 1 513 357 57 LYS CB C 31.800 0.3 1 514 357 57 LYS CD C 28.992 0.3 1 515 357 57 LYS CE C 41.487 0.3 1 516 357 57 LYS CG C 23.365 0.3 1 517 358 58 TRP H H 7.206 0.02 1 518 358 58 TRP HA H 4.946 0.02 1 519 358 58 TRP HB2 H 2.056 0.02 2 520 358 58 TRP HD1 H 7.408 0.02 1 521 358 58 TRP HE1 H 11.006 0.02 1 522 358 58 TRP C C 176.962 0.3 1 523 358 58 TRP CA C 55.097 0.3 1 524 358 58 TRP CB C 30.875 0.3 1 525 358 58 TRP N N 116.858 0.3 1 526 358 58 TRP NE1 N 130.312 0.3 1 527 359 59 LYS H H 7.324 0.02 1 528 359 59 LYS HA H 3.964 0.02 1 529 359 59 LYS HB2 H 1.949 0.02 2 530 359 59 LYS HD2 H 1.873 0.02 2 531 359 59 LYS HE2 H 3.129 0.02 2 532 359 59 LYS HG2 H 1.608 0.02 2 533 359 59 LYS C C 176.781 0.3 1 534 359 59 LYS CA C 60.522 0.3 1 535 359 59 LYS CB C 32.428 0.3 1 536 359 59 LYS CD C 29.611 0.3 1 537 359 59 LYS CG C 25.533 0.3 1 538 359 59 LYS N N 118.820 0.3 1 539 360 60 ARG H H 8.328 0.02 1 540 360 60 ARG HA H 4.557 0.02 1 541 360 60 ARG HB2 H 1.654 0.02 2 542 360 60 ARG HB3 H 1.450 0.02 2 543 360 60 ARG HD2 H 3.174 0.02 2 544 360 60 ARG HG2 H 1.467 0.02 2 545 360 60 ARG HG3 H 1.554 0.02 2 546 360 60 ARG C C 177.215 0.3 1 547 360 60 ARG CA C 55.237 0.3 1 548 360 60 ARG CB C 29.751 0.3 1 549 360 60 ARG CD C 43.728 0.3 1 550 360 60 ARG CG C 27.056 0.3 1 551 360 60 ARG N N 113.906 0.3 1 552 361 61 ARG H H 7.619 0.02 1 553 361 61 ARG HA H 4.299 0.02 1 554 361 61 ARG HB2 H 2.598 0.02 2 555 361 61 ARG HB3 H 2.100 0.02 2 556 361 61 ARG HD2 H 3.448 0.02 2 557 361 61 ARG HD3 H 3.000 0.02 2 558 361 61 ARG HG2 H 2.182 0.02 2 559 361 61 ARG HG3 H 1.466 0.02 2 560 361 61 ARG C C 172.579 0.3 1 561 361 61 ARG CA C 53.677 0.3 1 562 361 61 ARG CB C 27.737 0.3 1 563 361 61 ARG CD C 40.552 0.3 1 564 361 61 ARG CG C 25.554 0.3 1 565 361 61 ARG N N 116.432 0.3 1 566 362 62 TYR H H 6.961 0.02 1 567 362 62 TYR HA H 5.855 0.02 1 568 362 62 TYR HB2 H 3.160 0.02 2 569 362 62 TYR HB3 H 2.981 0.02 2 570 362 62 TYR HD1 H 7.044 0.02 3 571 362 62 TYR HE1 H 6.828 0.02 3 572 362 62 TYR C C 173.351 0.3 1 573 362 62 TYR CA C 54.613 0.3 1 574 362 62 TYR CB C 42.431 0.3 1 575 362 62 TYR N N 112.799 0.3 1 576 363 63 CYS H H 9.163 0.02 1 577 363 63 CYS HA H 4.247 0.02 1 578 363 63 CYS HB2 H 3.459 0.02 2 579 363 63 CYS HB3 H 3.014 0.02 2 580 363 63 CYS C C 178.161 0.3 1 581 363 63 CYS CA C 60.114 0.3 1 582 363 63 CYS CB C 31.885 0.3 1 583 363 63 CYS N N 124.627 0.3 1 584 364 64 LYS H H 7.794 0.02 1 585 364 64 LYS HA H 4.249 0.02 1 586 364 64 LYS HB2 H 2.241 0.02 2 587 364 64 LYS HB3 H 1.805 0.02 2 588 364 64 LYS HD2 H 1.888 0.02 2 589 364 64 LYS HE2 H 3.162 0.02 2 590 364 64 LYS HG2 H 1.628 0.02 2 591 364 64 LYS C C 175.499 0.3 1 592 364 64 LYS CA C 58.957 0.3 1 593 364 64 LYS CB C 32.963 0.3 1 594 364 64 LYS CD C 28.961 0.3 1 595 364 64 LYS CE C 42.775 0.3 1 596 364 64 LYS CG C 26.180 0.3 1 597 364 64 LYS N N 129.876 0.3 1 598 365 65 LYS H H 9.285 0.02 1 599 365 65 LYS HA H 4.254 0.02 1 600 365 65 LYS HB2 H 1.853 0.02 2 601 365 65 LYS HD2 H 1.681 0.02 2 602 365 65 LYS HD3 H 1.510 0.02 2 603 365 65 LYS HE2 H 2.907 0.02 2 604 365 65 LYS HG2 H 1.030 0.02 2 605 365 65 LYS HG3 H 0.620 0.02 2 606 365 65 LYS C C 176.444 0.3 1 607 365 65 LYS CA C 58.052 0.3 1 608 365 65 LYS CB C 33.367 0.3 1 609 365 65 LYS CD C 28.689 0.3 1 610 365 65 LYS CE C 42.775 0.3 1 611 365 65 LYS CG C 24.810 0.3 1 612 365 65 LYS N N 123.091 0.3 1 613 366 66 CYS H H 9.168 0.02 1 614 366 66 CYS HA H 4.590 0.02 1 615 366 66 CYS HB2 H 3.195 0.02 2 616 366 66 CYS HB3 H 2.758 0.02 2 617 366 66 CYS C C 176.269 0.3 1 618 366 66 CYS CA C 59.304 0.3 1 619 366 66 CYS CB C 31.740 0.3 1 620 366 66 CYS N N 121.656 0.3 1 621 367 67 HIS H H 7.713 0.02 1 622 367 67 HIS HA H 4.850 0.02 1 623 367 67 HIS HB2 H 3.776 0.02 2 624 367 67 HIS HB3 H 3.389 0.02 2 625 367 67 HIS HD2 H 7.328 0.02 1 626 367 67 HIS C C 171.154 0.3 1 627 367 67 HIS CA C 56.260 0.3 1 628 367 67 HIS CB C 26.791 0.3 1 629 367 67 HIS N N 114.997 0.3 1 630 368 68 ALA H H 8.602 0.02 1 631 368 68 ALA HA H 4.248 0.02 1 632 368 68 ALA HB H 1.423 0.02 1 633 368 68 ALA C C 177.987 0.3 1 634 368 68 ALA CA C 53.390 0.3 1 635 368 68 ALA CB C 19.300 0.3 1 636 368 68 ALA N N 119.818 0.3 1 637 369 69 PHE H H 8.331 0.02 1 638 369 69 PHE HA H 4.718 0.02 1 639 369 69 PHE HB2 H 3.084 0.02 2 640 369 69 PHE HB3 H 2.923 0.02 2 641 369 69 PHE HD1 H 6.914 0.02 3 642 369 69 PHE HE1 H 7.256 0.02 3 643 369 69 PHE C C 174.293 0.3 1 644 369 69 PHE CA C 58.362 0.3 1 645 369 69 PHE CB C 39.927 0.3 1 646 369 69 PHE N N 122.654 0.3 1 647 370 70 LEU H H 7.466 0.02 1 648 370 70 LEU HA H 4.581 0.02 1 649 370 70 LEU HB2 H 1.201 0.02 2 650 370 70 LEU HB3 H 0.702 0.02 2 651 370 70 LEU HD1 H 0.911 0.02 2 652 370 70 LEU HD2 H 0.508 0.02 2 653 370 70 LEU HG H 0.520 0.02 1 654 370 70 LEU C C 176.108 0.3 1 655 370 70 LEU CA C 53.352 0.3 1 656 370 70 LEU CB C 43.358 0.3 1 657 370 70 LEU CD1 C 22.735 0.3 2 658 370 70 LEU CG C 26.239 0.3 1 659 370 70 LEU N N 125.064 0.3 1 660 371 71 VAL H H 9.610 0.02 1 661 371 71 VAL HA H 4.158 0.02 1 662 371 71 VAL HB H 2.012 0.02 1 663 371 71 VAL HG1 H 0.888 0.02 2 664 371 71 VAL HG2 H 0.301 0.02 2 665 371 71 VAL CA C 59.304 0.3 1 666 371 71 VAL CB C 33.667 0.3 1 667 371 71 VAL CG1 C 21.173 0.3 2 668 371 71 VAL CG2 C 16.489 0.3 2 669 371 71 VAL N N 125.714 0.3 1 670 372 72 PRO HA H 4.203 0.02 1 671 372 72 PRO HB2 H 2.228 0.02 2 672 372 72 PRO HB3 H 2.036 0.02 2 673 372 72 PRO HD2 H 3.624 0.02 2 674 372 72 PRO C C 176.487 0.3 1 675 372 72 PRO CA C 63.679 0.3 1 676 372 72 PRO CB C 31.631 0.3 1 677 372 72 PRO CD C 51.488 0.3 1 678 372 72 PRO CG C 27.737 0.3 1 679 373 73 GLY H H 8.550 0.02 1 680 373 73 GLY HA2 H 4.571 0.02 2 681 373 73 GLY HA3 H 3.877 0.02 2 682 373 73 GLY C C 173.949 0.3 1 683 373 73 GLY CA C 45.238 0.3 1 684 373 73 GLY N N 112.928 0.3 1 685 374 74 ILE H H 8.325 0.02 1 686 374 74 ILE HA H 4.539 0.02 1 687 374 74 ILE HB H 1.999 0.02 1 688 374 74 ILE HD1 H 1.030 0.02 1 689 374 74 ILE HG12 H 1.594 0.02 2 690 374 74 ILE HG2 H 1.238 0.02 1 691 374 74 ILE C C 175.758 0.3 1 692 374 74 ILE CA C 62.318 0.3 1 693 374 74 ILE CB C 38.194 0.3 1 694 374 74 ILE CD1 C 11.487 0.3 1 695 374 74 ILE CG1 C 27.107 0.3 1 696 374 74 ILE CG2 C 16.957 0.3 1 697 374 74 ILE N N 120.692 0.3 1 698 375 75 ASN H H 8.424 0.02 1 699 375 75 ASN HA H 4.973 0.02 1 700 375 75 ASN HB2 H 3.475 0.02 2 701 375 75 ASN HB3 H 2.898 0.02 2 702 375 75 ASN C C 173.089 0.3 1 703 375 75 ASN CA C 52.110 0.3 1 704 375 75 ASN CB C 38.221 0.3 1 705 375 75 ASN N N 116.533 0.3 1 706 376 76 ALA H H 7.250 0.02 1 707 376 76 ALA HA H 5.536 0.02 1 708 376 76 ALA HB H 1.086 0.02 1 709 376 76 ALA C C 176.440 0.3 1 710 376 76 ALA CA C 50.081 0.3 1 711 376 76 ALA CB C 22.878 0.3 1 712 376 76 ALA N N 117.945 0.3 1 713 377 77 ARG H H 8.839 0.02 1 714 377 77 ARG HA H 4.959 0.02 1 715 377 77 ARG HB2 H 1.731 0.02 2 716 377 77 ARG HD2 H 3.301 0.02 2 717 377 77 ARG HG2 H 1.739 0.02 2 718 377 77 ARG HG3 H 1.597 0.02 2 719 377 77 ARG C C 174.812 0.3 1 720 377 77 ARG CA C 54.454 0.3 1 721 377 77 ARG CB C 33.334 0.3 1 722 377 77 ARG CD C 43.728 0.3 1 723 377 77 ARG CG C 27.409 0.3 1 724 377 77 ARG N N 123.528 0.3 1 725 378 78 VAL H H 8.866 0.02 1 726 378 78 VAL HA H 5.168 0.02 1 727 378 78 VAL HB H 2.009 0.02 1 728 378 78 VAL HG1 H 0.943 0.02 2 729 378 78 VAL HG2 H 0.997 0.02 2 730 378 78 VAL C C 175.540 0.3 1 731 378 78 VAL CA C 61.164 0.3 1 732 378 78 VAL CB C 33.997 0.3 1 733 378 78 VAL CG1 C 21.169 0.3 2 734 378 78 VAL CG2 C 21.169 0.3 2 735 378 78 VAL N N 127.486 0.3 1 736 379 79 ARG H H 9.003 0.02 1 737 379 79 ARG HA H 4.770 0.02 1 738 379 79 ARG HB2 H 1.719 0.02 2 739 379 79 ARG HB3 H 1.801 0.02 2 740 379 79 ARG HD2 H 3.260 0.02 2 741 379 79 ARG HD3 H 3.287 0.02 2 742 379 79 ARG HG2 H 1.610 0.02 2 743 379 79 ARG C C 173.867 0.3 1 744 379 79 ARG CA C 54.166 0.3 1 745 379 79 ARG CB C 34.150 0.3 1 746 379 79 ARG CD C 43.728 0.3 1 747 379 79 ARG CG C 26.953 0.3 1 748 379 79 ARG N N 126.813 0.3 1 749 380 80 LEU H H 8.484 0.02 1 750 380 80 LEU HA H 4.731 0.02 1 751 380 80 LEU HB2 H 1.610 0.02 2 752 380 80 LEU HB3 H 1.388 0.02 2 753 380 80 LEU HD1 H 0.624 0.02 2 754 380 80 LEU HD2 H 0.536 0.02 2 755 380 80 LEU HG H 1.227 0.02 1 756 380 80 LEU C C 176.268 0.3 1 757 380 80 LEU CA C 54.579 0.3 1 758 380 80 LEU CB C 42.910 0.3 1 759 380 80 LEU CD1 C 24.918 0.3 2 760 380 80 LEU CD2 C 23.674 0.3 2 761 380 80 LEU CG C 27.737 0.3 1 762 380 80 LEU N N 125.159 0.3 1 763 381 81 ARG H H 8.777 0.02 1 764 381 81 ARG HA H 3.629 0.02 1 765 381 81 ARG HB2 H 1.566 0.02 2 766 381 81 ARG HB3 H 1.670 0.02 2 767 381 81 ARG HD2 H 3.209 0.02 2 768 381 81 ARG HG2 H 1.198 0.02 2 769 381 81 ARG HG3 H 0.941 0.02 2 770 381 81 ARG CA C 54.485 0.3 1 771 381 81 ARG CB C 32.111 0.3 1 772 381 81 ARG N N 126.488 0.3 1 773 386 86 PRO HA H 4.846 0.02 1 774 386 86 PRO HB2 H 2.251 0.02 2 775 386 86 PRO HD2 H 3.898 0.02 2 776 386 86 PRO HG2 H 1.651 0.02 2 777 386 86 PRO C C 176.440 0.3 1 778 386 86 PRO CA C 63.361 0.3 1 779 386 86 PRO CB C 31.803 0.3 1 780 386 86 PRO CD C 50.860 0.3 1 781 386 86 PRO CG C 27.104 0.3 1 782 387 87 HIS H H 8.555 0.02 1 783 387 87 HIS HA H 5.162 0.02 1 784 387 87 HIS HB2 H 3.181 0.02 2 785 387 87 HIS HB3 H 3.020 0.02 2 786 387 87 HIS HE1 H 7.901 0.02 1 787 387 87 HIS C C 172.750 0.3 1 788 387 87 HIS CA C 55.552 0.3 1 789 387 87 HIS CB C 31.799 0.3 1 790 387 87 HIS N N 119.156 0.3 1 791 388 88 ILE H H 9.228 0.02 1 792 388 88 ILE HA H 4.704 0.02 1 793 388 88 ILE HB H 1.791 0.02 1 794 388 88 ILE HD1 H 1.040 0.02 1 795 388 88 ILE HG12 H 1.112 0.02 2 796 388 88 ILE HG2 H 0.878 0.02 1 797 388 88 ILE CA C 59.926 0.3 1 798 388 88 ILE CB C 40.235 0.3 1 799 388 88 ILE CD1 C 16.800 0.3 1 800 388 88 ILE CG1 C 28.051 0.3 1 801 388 88 ILE CG2 C 18.042 0.3 1 802 388 88 ILE N N 120.905 0.3 1 803 389 89 VAL HA H 4.838 0.02 1 804 389 89 VAL HB H 2.010 0.02 1 805 389 89 VAL HG1 H 0.941 0.02 2 806 389 89 VAL HG2 H 0.938 0.02 2 807 389 89 VAL C C 175.068 0.3 1 808 389 89 VAL CA C 60.947 0.3 1 809 389 89 VAL CB C 33.981 0.3 1 810 389 89 VAL CG1 C 21.254 0.3 2 811 389 89 VAL CG2 C 21.664 0.3 2 812 390 90 VAL H H 9.312 0.02 1 813 390 90 VAL HA H 4.770 0.02 1 814 390 90 VAL HB H 2.235 0.02 1 815 390 90 VAL HG1 H 0.849 0.02 2 816 390 90 VAL HG2 H 1.102 0.02 2 817 390 90 VAL C C 173.778 0.3 1 818 390 90 VAL CA C 60.972 0.3 1 819 390 90 VAL CB C 33.999 0.3 1 820 390 90 VAL CG1 C 21.086 0.3 2 821 390 90 VAL CG2 C 25.428 0.3 2 822 390 90 VAL N N 128.349 0.3 1 823 391 91 LYS H H 9.022 0.02 1 824 391 91 LYS HA H 5.168 0.02 1 825 391 91 LYS HB2 H 1.802 0.02 2 826 391 91 LYS HB3 H 1.539 0.02 2 827 391 91 LYS HD2 H 1.516 0.02 2 828 391 91 LYS HD3 H 1.608 0.02 2 829 391 91 LYS HE2 H 2.942 0.02 2 830 391 91 LYS HG2 H 1.194 0.02 2 831 391 91 LYS C C 175.495 0.3 1 832 391 91 LYS CA C 53.867 0.3 1 833 391 91 LYS CB C 36.173 0.3 1 834 391 91 LYS CD C 29.925 0.3 1 835 391 91 LYS CE C 42.328 0.3 1 836 391 91 LYS CG C 25.236 0.3 1 837 391 91 LYS N N 128.562 0.3 1 838 392 92 CYS H H 9.034 0.02 1 839 392 92 CYS HA H 4.409 0.02 1 840 392 92 CYS HB2 H 3.461 0.02 2 841 392 92 CYS HB3 H 2.901 0.02 2 842 392 92 CYS C C 177.468 0.3 1 843 392 92 CYS CA C 59.299 0.3 1 844 392 92 CYS CB C 32.110 0.3 1 845 392 92 CYS N N 130.535 0.3 1 846 393 93 LEU H H 8.904 0.02 1 847 393 93 LEU HA H 4.474 0.02 1 848 393 93 LEU HB2 H 1.732 0.02 2 849 393 93 LEU HB3 H 1.541 0.02 2 850 393 93 LEU HD1 H 0.817 0.02 2 851 393 93 LEU HD2 H 0.777 0.02 2 852 393 93 LEU HG H 1.635 0.02 1 853 393 93 LEU C C 178.080 0.3 1 854 393 93 LEU CA C 54.963 0.3 1 855 393 93 LEU CB C 40.230 0.3 1 856 393 93 LEU CD1 C 24.924 0.3 2 857 393 93 LEU CD2 C 21.783 0.3 2 858 393 93 LEU CG C 27.109 0.3 1 859 393 93 LEU N N 128.125 0.3 1 860 394 94 GLU H H 9.469 0.02 1 861 394 94 GLU HA H 4.449 0.02 1 862 394 94 GLU HB2 H 2.237 0.02 2 863 394 94 GLU HB3 H 2.117 0.02 2 864 394 94 GLU HG2 H 2.467 0.02 2 865 394 94 GLU HG3 H 2.344 0.02 2 866 394 94 GLU C C 178.511 0.3 1 867 394 94 GLU CA C 59.113 0.3 1 868 394 94 GLU CB C 29.300 0.3 1 869 394 94 GLU CG C 36.174 0.3 1 870 394 94 GLU N N 123.315 0.3 1 871 395 95 CYS H H 9.074 0.02 1 872 395 95 CYS HA H 5.134 0.02 1 873 395 95 CYS HB2 H 3.296 0.02 2 874 395 95 CYS HB3 H 2.585 0.02 2 875 395 95 CYS C C 177.044 0.3 1 876 395 95 CYS CA C 58.526 0.3 1 877 395 95 CYS CB C 33.051 0.3 1 878 395 95 CYS N N 119.593 0.3 1 879 396 96 GLY H H 7.987 0.02 1 880 396 96 GLY HA2 H 4.441 0.02 2 881 396 96 GLY HA3 H 3.849 0.02 2 882 396 96 GLY C C 174.215 0.3 1 883 396 96 GLY CA C 46.169 0.3 1 884 396 96 GLY N N 115.658 0.3 1 885 397 97 HIS H H 9.291 0.02 1 886 397 97 HIS HA H 4.528 0.02 1 887 397 97 HIS HB2 H 3.365 0.02 2 888 397 97 HIS HD2 H 7.062 0.02 1 889 397 97 HIS C C 173.435 0.3 1 890 397 97 HIS CA C 58.051 0.3 1 891 397 97 HIS CB C 32.342 0.3 1 892 397 97 HIS N N 125.714 0.3 1 893 398 98 ILE H H 6.860 0.02 1 894 398 98 ILE HA H 4.751 0.02 1 895 398 98 ILE HB H 1.563 0.02 1 896 398 98 ILE HD1 H 0.877 0.02 1 897 398 98 ILE HG12 H 1.599 0.02 2 898 398 98 ILE HG13 H 1.764 0.02 2 899 398 98 ILE HG2 H 0.722 0.02 1 900 398 98 ILE C C 175.155 0.3 1 901 398 98 ILE CA C 59.612 0.3 1 902 398 98 ILE CB C 39.923 0.3 1 903 398 98 ILE CD1 C 13.049 0.3 1 904 398 98 ILE CG1 C 28.021 0.3 1 905 398 98 ILE CG2 C 18.052 0.3 1 906 398 98 ILE N N 124.190 0.3 1 907 399 99 MET H H 9.040 0.02 1 908 399 99 MET HA H 4.243 0.02 1 909 399 99 MET HB2 H 2.092 0.02 2 910 399 99 MET HB3 H 1.915 0.02 2 911 399 99 MET HG2 H 2.830 0.02 2 912 399 99 MET HG3 H 2.192 0.02 2 913 399 99 MET C C 173.309 0.3 1 914 399 99 MET CA C 53.973 0.3 1 915 399 99 MET CB C 37.429 0.3 1 916 399 99 MET CG C 32.422 0.3 1 917 399 99 MET N N 126.925 0.3 1 918 400 100 ARG H H 7.886 0.02 1 919 400 100 ARG HA H 5.389 0.02 1 920 400 100 ARG HB2 H 1.466 0.02 2 921 400 100 ARG HD2 H 2.877 0.02 2 922 400 100 ARG HG2 H 1.433 0.02 2 923 400 100 ARG HG3 H 1.463 0.02 2 924 400 100 ARG C C 175.238 0.3 1 925 400 100 ARG CA C 54.302 0.3 1 926 400 100 ARG CB C 32.992 0.3 1 927 400 100 ARG CD C 43.049 0.3 1 928 400 100 ARG CG C 28.054 0.3 1 929 400 100 ARG N N 120.692 0.3 1 930 401 101 TYR H H 9.084 0.02 1 931 401 101 TYR HA H 5.155 0.02 1 932 401 101 TYR HB2 H 3.214 0.02 2 933 401 101 TYR HB3 H 2.593 0.02 2 934 401 101 TYR HD1 H 7.085 0.02 3 935 401 101 TYR CA C 54.923 0.3 1 936 401 101 TYR CB C 40.577 0.3 1 937 401 101 TYR N N 121.567 0.3 1 938 402 102 PRO HA H 4.541 0.02 1 939 402 102 PRO HB2 H 2.020 0.02 2 940 402 102 PRO HB3 H 1.885 0.02 2 941 402 102 PRO HD2 H 3.941 0.02 2 942 402 102 PRO HD3 H 3.670 0.02 2 943 402 102 PRO HG2 H 2.344 0.02 2 944 402 102 PRO HG3 H 2.210 0.02 2 945 402 102 PRO C C 175.754 0.3 1 946 402 102 PRO CA C 63.177 0.3 1 947 402 102 PRO CB C 33.034 0.3 1 948 402 102 PRO CD C 51.009 0.3 1 949 402 102 PRO CG C 27.612 0.3 1 950 403 103 TYR H H 8.118 0.02 1 951 403 103 TYR HA H 4.731 0.02 1 952 403 103 TYR HB2 H 2.720 0.02 2 953 403 103 TYR HD1 H 6.957 0.02 3 954 403 103 TYR C C 173.965 0.3 1 955 403 103 TYR CA C 56.998 0.3 1 956 403 103 TYR CB C 39.608 0.3 1 957 403 103 TYR N N 123.528 0.3 1 958 404 104 ILE H H 7.589 0.02 1 959 404 104 ILE HA H 4.094 0.02 1 960 404 104 ILE HB H 1.740 0.02 1 961 404 104 ILE HD1 H 0.939 0.02 1 962 404 104 ILE HG12 H 1.377 0.02 2 963 404 104 ILE HG13 H 1.101 0.02 2 964 404 104 ILE HG2 H 0.835 0.02 1 965 404 104 ILE C C 174.813 0.3 1 966 404 104 ILE CA C 59.931 0.3 1 967 404 104 ILE CB C 39.289 0.3 1 968 404 104 ILE CD1 C 11.998 0.3 1 969 404 104 ILE CG1 C 27.109 0.3 1 970 404 104 ILE CG2 C 17.419 0.3 1 971 404 104 ILE N N 126.384 0.3 1 972 405 105 LYS H H 7.965 0.02 1 973 405 105 LYS CA C 56.532 0.3 1 974 405 105 LYS CB C 33.195 0.3 1 975 405 105 LYS N N 125.939 0.3 1 976 418 118 GLY HA2 H 3.962 0.02 2 977 418 118 GLY C C 174.463 0.3 1 978 418 118 GLY CA C 45.549 0.3 1 979 419 119 GLY H H 7.897 0.02 1 980 419 119 GLY HA2 H 3.982 0.02 2 981 419 119 GLY C C 173.786 0.3 1 982 419 119 GLY CA C 45.236 0.3 1 983 419 119 GLY N N 108.493 0.3 1 984 420 120 LEU H H 7.951 0.02 1 985 420 120 LEU HA H 4.405 0.02 1 986 420 120 LEU HB2 H 1.695 0.02 2 987 420 120 LEU HB3 H 1.632 0.02 2 988 420 120 LEU HD1 H 0.943 0.02 2 989 420 120 LEU HD2 H 0.893 0.02 2 990 420 120 LEU C C 176.696 0.3 1 991 420 120 LEU CA C 55.234 0.3 1 992 420 120 LEU CB C 42.425 0.3 1 993 420 120 LEU CD1 C 24.925 0.3 2 994 420 120 LEU CD2 C 23.677 0.3 2 995 420 120 LEU CG C 27.260 0.3 1 996 420 120 LEU N N 121.804 0.3 1 997 421 121 VAL H H 7.844 0.02 1 998 421 121 VAL HA H 4.466 0.02 1 999 421 121 VAL HB H 2.111 0.02 1 1000 421 121 VAL HG1 H 0.963 0.02 2 1001 421 121 VAL CA C 59.306 0.3 1 1002 421 121 VAL CB C 32.736 0.3 1 1003 421 121 VAL CG1 C 20.236 0.3 2 1004 421 121 VAL N N 121.578 0.3 1 1005 422 122 PRO HA H 4.443 0.02 1 1006 422 122 PRO HB2 H 2.230 0.02 2 1007 422 122 PRO HB3 H 1.971 0.02 2 1008 422 122 PRO HD2 H 3.826 0.02 2 1009 422 122 PRO HD3 H 3.708 0.02 2 1010 422 122 PRO HG2 H 2.081 0.02 2 1011 422 122 PRO HG3 H 1.950 0.02 2 1012 422 122 PRO C C 175.754 0.3 1 1013 422 122 PRO CA C 63.362 0.3 1 1014 422 122 PRO CB C 31.635 0.3 1 1015 422 122 PRO CD C 50.867 0.3 1 1016 422 122 PRO CG C 27.422 0.3 1 1017 423 123 ARG H H 7.754 0.02 1 1018 423 123 ARG CA C 57.556 0.3 1 1019 423 123 ARG CB C 31.625 0.3 1 1020 423 123 ARG N N 126.813 0.3 1 stop_ save_