data_25087 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of myristoylated Y28F/Y67F mutant of the Mason-Pfizer monkey virus matrix protein ; _BMRB_accession_number 25087 _BMRB_flat_file_name bmr25087.str _Entry_type original _Submission_date 2014-07-14 _Accession_date 2014-07-14 _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 Dolezal Michal . . 2 Hrabal Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 789 "13C chemical shifts" 575 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-24 original author . stop_ _Original_release_date 2015-03-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of myristoylated Y28F/Y67F mutant of the Mason-Pfizer monkey virus matrix protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25773138 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dolezal Michal . . 2 Hrabal Richard . . 3 Ruml Tomas . . 4 Rumlova Michaela . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2015 _Details . loop_ _Keyword 'isotopic labeling' 'matrix protein' M-PMV 'Mason-Pfizer monkey virus' myristoylation 'resonance assignment' 'reverse labeling' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MPMV MA Y28F Y67F' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MPMV_MA_Y28F_Y67F $MPMV_MA_Y28F_Y67F stop_ _System_molecular_weight 14867.84 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'N-terminally myristoylated protein' save_ ######################## # Monomeric polymers # ######################## save_MPMV_MA_Y28F_Y67F _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MPMV_MA_Y28F_Y67F _Molecular_mass 14867.84 _Mol_thiol_state 'all free' _Details 'the N-terminal glycine is designated as residue 2' ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; XGQELSQHERYVEQLKQALK TRGVKVKFADLLKFFDFVKD TCPWFPQEGTIDIKRWRRVG DCFQDYFNTFGPEKVPVTAF SYWNLIKELIDKKEVNPQVM AAVAQTEEILKSNSQTDLEH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MYR 2 2 GLY 3 3 GLN 4 4 GLU 5 5 LEU 6 6 SER 7 7 GLN 8 8 HIS 9 9 GLU 10 10 ARG 11 11 TYR 12 12 VAL 13 13 GLU 14 14 GLN 15 15 LEU 16 16 LYS 17 17 GLN 18 18 ALA 19 19 LEU 20 20 LYS 21 21 THR 22 22 ARG 23 23 GLY 24 24 VAL 25 25 LYS 26 26 VAL 27 27 LYS 28 28 PHE 29 29 ALA 30 30 ASP 31 31 LEU 32 32 LEU 33 33 LYS 34 34 PHE 35 35 PHE 36 36 ASP 37 37 PHE 38 38 VAL 39 39 LYS 40 40 ASP 41 41 THR 42 42 CYS 43 43 PRO 44 44 TRP 45 45 PHE 46 46 PRO 47 47 GLN 48 48 GLU 49 49 GLY 50 50 THR 51 51 ILE 52 52 ASP 53 53 ILE 54 54 LYS 55 55 ARG 56 56 TRP 57 57 ARG 58 58 ARG 59 59 VAL 60 60 GLY 61 61 ASP 62 62 CYS 63 63 PHE 64 64 GLN 65 65 ASP 66 66 TYR 67 67 PHE 68 68 ASN 69 69 THR 70 70 PHE 71 71 GLY 72 72 PRO 73 73 GLU 74 74 LYS 75 75 VAL 76 76 PRO 77 77 VAL 78 78 THR 79 79 ALA 80 80 PHE 81 81 SER 82 82 TYR 83 83 TRP 84 84 ASN 85 85 LEU 86 86 ILE 87 87 LYS 88 88 GLU 89 89 LEU 90 90 ILE 91 91 ASP 92 92 LYS 93 93 LYS 94 94 GLU 95 95 VAL 96 96 ASN 97 97 PRO 98 98 GLN 99 99 VAL 100 100 MET 101 101 ALA 102 102 ALA 103 103 VAL 104 104 ALA 105 105 GLN 106 106 THR 107 107 GLU 108 108 GLU 109 109 ILE 110 110 LEU 111 111 LYS 112 112 SER 113 113 ASN 114 114 SER 115 115 GLN 116 116 THR 117 117 ASP 118 118 LEU 119 119 GLU 120 120 HIS 121 121 HIS 122 122 HIS 123 123 HIS 124 124 HIS 125 125 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-22 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 18282 M-PMV_MATRIX_PROTEIN 99.20 124 98.39 100.00 5.66e-86 PDB 1BAX "Mason-Pfizer Monkey Virus Matrix Protein, Nmr, Average Structure" 74.40 94 97.85 100.00 3.22e-61 PDB 2F76 "Solution Structure Of The M-Pmv Wild Type Matrix Protein (P10)" 79.20 100 97.98 100.00 3.12e-66 PDB 2F77 "Solution Structure Of The R55f Mutant Of M-Pmv Matrix Protein (P10)" 79.20 100 96.97 98.99 6.74e-65 PDB 2LPY "Solution Structure Of The M-Pmv Myristoylated Matrix Protein" 99.20 124 98.39 100.00 5.66e-86 PDB 2MV4 "Solution Structure Of Myristoylated Y28f/y67f Mutant Of The Mason- Pfizer Monkey Virus Matrix Protein" 99.20 125 100.00 100.00 1.03e-86 GB AAA47710 "gag polyprotein [Mason-Pfizer monkey virus]" 93.60 657 98.29 100.00 5.53e-74 GB AAC82573 "Pr78 [Mason-Pfizer monkey virus]" 93.60 657 98.29 100.00 5.53e-74 GB AAC82574 "Pr95 [Mason-Pfizer monkey virus]" 93.60 911 98.29 100.00 6.59e-73 GB AAC82576 "RT-IN [Mason-Pfizer monkey virus]" 93.60 1771 98.29 100.00 1.91e-71 GB ABD83648 "codon usage optimized MPMV-gag protein [synthetic construct]" 93.60 657 98.29 100.00 5.53e-74 REF NP_056891 "RT-IN [Mason-Pfizer monkey virus]" 93.60 1771 98.29 100.00 1.91e-71 REF NP_056892 "Pr95 [Mason-Pfizer monkey virus]" 93.60 911 98.29 100.00 6.59e-73 REF NP_056893 "Pr78 [Mason-Pfizer monkey virus]" 93.60 657 98.29 100.00 5.53e-74 REF NP_954557 "p10 MA [Mason-Pfizer monkey virus]" 79.20 99 97.98 100.00 3.02e-66 REF NP_954565 "RT-IN [Mason-Pfizer monkey virus]" 93.60 1771 98.29 100.00 1.91e-71 SP P07567 "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 93.60 657 98.29 100.00 5.53e-74 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_MYR _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'MYRISTIC ACID' _BMRB_code MYR _PDB_code MYR _Standard_residue_derivative . _Molecular_mass 228.371 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C9 C10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C10 C11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C14 H143 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MPMV_MA_Y28F_Y67F 'Mason-Pfizer monkey virus' 11855 Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' 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 $MPMV_MA_Y28F_Y67F 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 (DE3)' pET-22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'the myristoyl residue is reverse-labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPMV_MA_Y28F_Y67F 1.0 mM '[U-99% 13C; U-99% 15N; NA-MYR]' NaCl 300.0 mM 'natural abundance' TCEP 2.5 mM 'natural abundance' 'sodium phosphate' 50.0 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'the myristoyl residue and all histidine residues are reverse-labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPMV_MA_Y28F_Y67F 1.0 mM '[U-99% 13C; U-99% 15N; NA-MYR,H]' NaCl 300.0 mM 'natural abundance' TCEP 2.5 mM 'natural abundance' 'sodium phosphate' 50.0 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPMV_MA_Y28F_Y67F 1.0 mM '[U-99% 13C; U-99% 15N]' NaCl 300.0 mM 'natural abundance' TCEP 2.5 mM 'natural abundance' 'sodium phosphate' 50.0 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'aminoacid residues are partially reverse-labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPMV_MA_Y28F_Y67F 1.0 mM '[U-99% 13C]-MYR' NaCl 300.0 mM 'natural abundance' TCEP 2.5 mM 'natural abundance' 'sodium phosphate' 50.0 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.3 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'resonance assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Topspin _Saveframe_category software _Name Topspin _Version 3.2 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task 'spectra procession' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_CON_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_2D_CaCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CaCO' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CBCACO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_1 save_ save_3D_H(CCCO)NH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_HC(C)H-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-COSY' _Sample_label $sample_4 save_ save_3D_HC(C)H-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_1 save_ save_3D_HC(C)H-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_4 save_ save_3D_(H)CCH-COSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-COSY' _Sample_label $sample_4 save_ save_3D_(H)CCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aro_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aro' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCD)HD_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCDCE)HE_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_2 save_ save_2D_(H)CB(CGCC-TOCSY)Har-phe_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (H)CB(CGCC-TOCSY)Har-phe' _Sample_label $sample_2 save_ save_2D_(H)CB(CGCC-TOCSY)Har-trp_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (H)CB(CGCC-TOCSY)Har-trp' _Sample_label $sample_2 save_ save_2D_(H)CB(CGCC-TOCSY)Har-tyr_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (H)CB(CGCC-TOCSY)Har-tyr' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_CondSet1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.600 . M pH 6.000 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS N 15 'methyl protons' ppm 0.07 external indirect . . . 0.101329118 DSS H 1 'methyl protons' ppm 0.05 external direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 2.70 external indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D CON' '2D CaCO' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CBCACO)NH' '3D H(CCCO)NH-TOCSY' '3D HC(C)H-COSY' '3D HC(C)H-TOCSY' '3D (H)CCH-COSY' '3D (H)CCH-TOCSY' '2D 1H-13C HSQC aro' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '2D (H)CB(CGCC-TOCSY)Har-phe' '2D (H)CB(CGCC-TOCSY)Har-trp' '2D (H)CB(CGCC-TOCSY)Har-tyr' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_4 $sample_2 stop_ _Sample_conditions_label $CondSet1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MPMV_MA_Y28F_Y67F _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MYR H103 H 0.722 0.003 2 2 1 1 MYR H102 H 0.722 0.003 2 3 1 1 MYR H113 H 0.947 0.006 2 4 1 1 MYR H112 H 0.947 0.006 2 5 1 1 MYR H123 H 1.008 0.004 2 6 1 1 MYR H122 H 0.953 0.001 2 7 1 1 MYR H133 H 1.077 0.003 2 8 1 1 MYR H132 H 1.077 0.003 2 9 1 1 MYR H143 H 0.646 0.003 1 10 1 1 MYR H142 H 0.646 0.003 1 11 1 1 MYR H143 H 0.646 0.003 1 12 1 1 MYR H23 H 2.685 0.003 2 13 1 1 MYR H22 H 2.189 0.003 2 14 1 1 MYR H33 H 1.759 0.001 2 15 1 1 MYR H32 H 1.294 0.003 2 16 1 1 MYR H43 H 1.159 0.001 2 17 1 1 MYR H42 H 1.159 0.001 2 18 1 1 MYR H53 H 1.292 0.008 2 19 1 1 MYR H52 H 1.008 0.003 2 20 1 1 MYR H63 H 0.791 0.004 2 21 1 1 MYR H62 H 0.791 0.004 2 22 1 1 MYR H93 H 0.648 0.005 2 23 1 1 MYR H92 H 0.464 0.003 2 24 1 1 MYR C1 C 178.319 0.030 1 25 1 1 MYR C10 C 32.966 0.030 1 26 1 1 MYR C11 C 32.774 0.064 1 27 1 1 MYR C12 C 35.062 0.028 1 28 1 1 MYR C13 C 25.909 0.045 1 29 1 1 MYR C14 C 16.720 0.033 1 30 1 1 MYR C2 C 37.647 0.046 1 31 1 1 MYR C3 C 27.442 0.030 1 32 1 1 MYR C4 C 31.275 0.063 1 33 1 1 MYR C5 C 32.601 0.021 1 34 1 1 MYR C6 C 32.633 0.023 1 35 1 1 MYR C9 C 32.278 0.045 1 36 2 2 GLY H H 7.870 0.002 1 37 2 2 GLY HA2 H 4.213 0.006 2 38 2 2 GLY HA3 H 3.807 0.004 2 39 2 2 GLY C C 176.955 0.002 1 40 2 2 GLY CA C 48.882 0.029 1 41 2 2 GLY N N 116.789 0.012 1 42 3 3 GLN H H 9.342 0.001 1 43 3 3 GLN HA H 3.973 0.007 1 44 3 3 GLN HB2 H 2.083 0.003 2 45 3 3 GLN HB3 H 2.080 0.007 2 46 3 3 GLN HG2 H 2.529 0.003 1 47 3 3 GLN HG3 H 2.529 0.003 1 48 3 3 GLN HE21 H 7.815 0.002 2 49 3 3 GLN HE22 H 6.803 0.001 2 50 3 3 GLN C C 178.963 0.008 1 51 3 3 GLN CA C 59.030 0.051 1 52 3 3 GLN CB C 28.145 0.057 1 53 3 3 GLN CG C 33.782 0.031 1 54 3 3 GLN CD C 180.203 0.009 1 55 3 3 GLN N N 122.088 0.008 1 56 3 3 GLN NE2 N 113.075 0.013 1 57 4 4 GLU H H 8.545 0.003 1 58 4 4 GLU HA H 4.064 0.008 1 59 4 4 GLU HB2 H 2.105 0.003 2 60 4 4 GLU HB3 H 1.815 0.003 2 61 4 4 GLU HG2 H 2.394 0.001 2 62 4 4 GLU HG3 H 2.086 0.002 2 63 4 4 GLU C C 179.643 0.002 1 64 4 4 GLU CA C 59.784 0.035 1 65 4 4 GLU CB C 28.978 0.026 1 66 4 4 GLU CG C 36.666 0.021 1 67 4 4 GLU N N 119.583 0.009 1 68 5 5 LEU H H 8.305 0.003 1 69 5 5 LEU HA H 3.999 0.009 1 70 5 5 LEU HB2 H 1.954 0.004 2 71 5 5 LEU HB3 H 1.693 0.001 2 72 5 5 LEU HG H 1.933 0.001 1 73 5 5 LEU HD1 H 0.771 0.002 2 74 5 5 LEU HD2 H 0.428 0.001 2 75 5 5 LEU C C 178.617 0.003 1 76 5 5 LEU CA C 58.692 0.016 1 77 5 5 LEU CB C 41.041 0.042 1 78 5 5 LEU CG C 26.897 0.010 1 79 5 5 LEU CD1 C 26.063 0.033 2 80 5 5 LEU CD2 C 21.850 0.021 2 81 5 5 LEU N N 119.585 0.014 1 82 6 6 SER H H 8.321 0.003 1 83 6 6 SER HA H 4.156 0.001 1 84 6 6 SER HB2 H 4.167 0.001 2 85 6 6 SER HB3 H 4.120 0.003 2 86 6 6 SER C C 174.607 0.030 1 87 6 6 SER CA C 60.724 0.042 1 88 6 6 SER CB C 63.430 0.029 1 89 6 6 SER N N 109.573 0.011 1 90 7 7 GLN H H 7.232 0.002 1 91 7 7 GLN HA H 4.262 0.004 1 92 7 7 GLN HB2 H 2.162 0.001 2 93 7 7 GLN HB3 H 1.857 0.003 2 94 7 7 GLN HG2 H 2.463 0.001 1 95 7 7 GLN HG3 H 2.463 0.001 1 96 7 7 GLN HE21 H 7.349 0.001 2 97 7 7 GLN HE22 H 6.853 0.001 2 98 7 7 GLN C C 175.271 0.002 1 99 7 7 GLN CA C 56.158 0.045 1 100 7 7 GLN CB C 28.746 0.077 1 101 7 7 GLN CG C 33.784 0.032 1 102 7 7 GLN CD C 180.351 0.030 1 103 7 7 GLN N N 117.807 0.005 1 104 7 7 GLN NE2 N 112.514 0.020 1 105 8 8 HIS H H 7.703 0.002 1 106 8 8 HIS HA H 4.756 0.001 1 107 8 8 HIS HB2 H 3.539 0.003 2 108 8 8 HIS HB3 H 3.538 0.004 2 109 8 8 HIS C C 174.797 0.005 1 110 8 8 HIS CA C 54.626 0.031 1 111 8 8 HIS CB C 29.462 0.056 1 112 8 8 HIS N N 119.672 0.010 1 113 9 9 GLU H H 8.942 0.003 1 114 9 9 GLU HA H 4.019 0.008 1 115 9 9 GLU HB2 H 2.130 0.001 2 116 9 9 GLU HB3 H 2.126 0.007 2 117 9 9 GLU HG2 H 2.403 0.001 2 118 9 9 GLU HG3 H 2.331 0.002 2 119 9 9 GLU C C 178.812 0.010 1 120 9 9 GLU CA C 60.847 0.044 1 121 9 9 GLU CB C 29.631 0.057 1 122 9 9 GLU CG C 36.272 0.021 1 123 9 9 GLU N N 126.354 0.015 1 124 10 10 ARG H H 8.954 0.002 1 125 10 10 ARG HA H 4.198 0.004 1 126 10 10 ARG HB2 H 2.023 0.003 2 127 10 10 ARG HB3 H 1.995 0.003 2 128 10 10 ARG HG2 H 1.820 0.004 2 129 10 10 ARG HG3 H 1.742 0.001 2 130 10 10 ARG HD2 H 3.275 0.003 1 131 10 10 ARG HD3 H 3.275 0.003 1 132 10 10 ARG HE H 7.341 0.001 1 133 10 10 ARG C C 179.056 0.030 1 134 10 10 ARG CA C 58.984 0.021 1 135 10 10 ARG CB C 29.522 0.087 1 136 10 10 ARG CG C 27.557 0.044 1 137 10 10 ARG CD C 43.312 0.020 1 138 10 10 ARG CZ C 159.634 0.002 1 139 10 10 ARG N N 119.229 0.016 1 140 10 10 ARG NE N 84.823 0.007 1 141 11 11 TYR H H 7.588 0.002 1 142 11 11 TYR HA H 4.304 0.003 1 143 11 11 TYR HB2 H 3.375 0.003 2 144 11 11 TYR HB3 H 3.186 0.001 2 145 11 11 TYR HD1 H 7.026 0.004 3 146 11 11 TYR HD2 H 7.026 0.004 3 147 11 11 TYR HE1 H 6.788 0.003 3 148 11 11 TYR HE2 H 6.788 0.003 3 149 11 11 TYR C C 176.781 0.001 1 150 11 11 TYR CA C 61.403 0.056 1 151 11 11 TYR CB C 38.212 0.060 1 152 11 11 TYR CD1 C 132.754 0.033 1 153 11 11 TYR CD2 C 132.754 0.033 1 154 11 11 TYR CE1 C 118.639 0.046 1 155 11 11 TYR CE2 C 118.639 0.046 1 156 11 11 TYR N N 121.364 0.008 1 157 12 12 VAL H H 8.209 0.001 1 158 12 12 VAL HA H 3.248 0.003 1 159 12 12 VAL HB H 2.240 0.010 1 160 12 12 VAL HG1 H 0.814 0.003 2 161 12 12 VAL HG2 H 1.303 0.001 2 162 12 12 VAL C C 177.596 0.030 1 163 12 12 VAL CA C 67.532 0.031 1 164 12 12 VAL CB C 31.526 0.087 1 165 12 12 VAL CG1 C 21.457 0.020 2 166 12 12 VAL CG2 C 23.560 0.025 2 167 12 12 VAL N N 119.190 0.023 1 168 13 13 GLU H H 7.474 0.002 1 169 13 13 GLU HA H 3.892 0.008 1 170 13 13 GLU HB2 H 2.059 0.003 1 171 13 13 GLU HB3 H 2.059 0.003 1 172 13 13 GLU HG2 H 2.320 0.003 1 173 13 13 GLU HG3 H 2.320 0.003 1 174 13 13 GLU C C 178.846 0.004 1 175 13 13 GLU CA C 59.297 0.086 1 176 13 13 GLU CB C 29.052 0.017 1 177 13 13 GLU CG C 35.779 0.030 1 178 13 13 GLU N N 116.968 0.012 1 179 14 14 GLN H H 7.842 0.001 1 180 14 14 GLN HA H 3.980 0.001 1 181 14 14 GLN HB2 H 2.057 0.001 1 182 14 14 GLN HB3 H 2.057 0.003 1 183 14 14 GLN HG2 H 2.247 0.003 2 184 14 14 GLN HG3 H 2.205 0.001 2 185 14 14 GLN HE21 H 7.205 0.003 2 186 14 14 GLN HE22 H 7.172 0.001 2 187 14 14 GLN C C 179.064 0.001 1 188 14 14 GLN CA C 58.452 0.024 1 189 14 14 GLN CB C 28.702 0.052 1 190 14 14 GLN CG C 34.080 0.009 1 191 14 14 GLN CD C 179.139 0.004 1 192 14 14 GLN N N 120.468 0.017 1 193 14 14 GLN NE2 N 112.967 0.001 1 194 15 15 LEU H H 8.951 0.003 1 195 15 15 LEU HA H 3.894 0.003 1 196 15 15 LEU HB2 H 1.785 0.006 2 197 15 15 LEU HB3 H 0.987 0.005 2 198 15 15 LEU HG H 1.587 0.001 1 199 15 15 LEU HD1 H 1.186 0.002 2 200 15 15 LEU HD2 H 0.915 0.002 2 201 15 15 LEU C C 178.603 0.002 1 202 15 15 LEU CA C 58.031 0.024 1 203 15 15 LEU CB C 40.747 0.035 1 204 15 15 LEU CG C 27.324 0.031 1 205 15 15 LEU CD1 C 25.367 0.041 2 206 15 15 LEU CD2 C 22.558 0.060 2 207 15 15 LEU N N 123.256 0.016 1 208 16 16 LYS H H 8.408 0.002 1 209 16 16 LYS HA H 3.783 0.003 1 210 16 16 LYS HB2 H 1.770 0.005 2 211 16 16 LYS HB3 H 1.652 0.003 2 212 16 16 LYS HG2 H 1.114 0.003 2 213 16 16 LYS HG3 H 0.784 0.004 2 214 16 16 LYS HD2 H 1.306 0.002 2 215 16 16 LYS HD3 H 1.198 0.002 2 216 16 16 LYS HE2 H 2.128 0.003 2 217 16 16 LYS HE3 H 1.861 0.007 2 218 16 16 LYS C C 180.159 0.013 1 219 16 16 LYS CA C 61.119 0.034 1 220 16 16 LYS CB C 32.539 0.062 1 221 16 16 LYS CG C 26.985 0.070 1 222 16 16 LYS CD C 29.787 0.033 1 223 16 16 LYS CE C 41.372 0.036 1 224 16 16 LYS N N 118.324 0.029 1 225 17 17 GLN H H 7.983 0.001 1 226 17 17 GLN HA H 4.012 0.003 1 227 17 17 GLN HB2 H 2.163 0.003 2 228 17 17 GLN HB3 H 2.088 0.003 2 229 17 17 GLN HG2 H 2.433 0.003 1 230 17 17 GLN HG3 H 2.433 0.003 1 231 17 17 GLN HE21 H 7.283 0.002 2 232 17 17 GLN HE22 H 6.571 0.001 2 233 17 17 GLN C C 178.666 0.030 1 234 17 17 GLN CA C 58.719 0.020 1 235 17 17 GLN CB C 27.988 0.018 1 236 17 17 GLN CG C 33.681 0.030 1 237 17 17 GLN CD C 179.623 0.012 1 238 17 17 GLN N N 118.357 0.015 1 239 17 17 GLN NE2 N 112.208 0.006 1 240 18 18 ALA H H 8.168 0.002 1 241 18 18 ALA HA H 3.882 0.004 1 242 18 18 ALA HB H 1.414 0.004 1 243 18 18 ALA C C 179.560 0.006 1 244 18 18 ALA CA C 55.262 0.023 1 245 18 18 ALA CB C 17.790 0.057 1 246 18 18 ALA N N 122.560 0.017 1 247 19 19 LEU H H 8.312 0.003 1 248 19 19 LEU HA H 3.566 0.003 1 249 19 19 LEU HB2 H 1.744 0.004 2 250 19 19 LEU HB3 H 1.266 0.004 2 251 19 19 LEU HG H 1.164 0.002 1 252 19 19 LEU HD1 H 0.686 0.001 2 253 19 19 LEU HD2 H 0.858 0.002 2 254 19 19 LEU C C 179.367 0.006 1 255 19 19 LEU CA C 58.180 0.039 1 256 19 19 LEU CB C 40.804 0.043 1 257 19 19 LEU CG C 25.983 0.018 1 258 19 19 LEU CD1 C 21.331 0.021 2 259 19 19 LEU CD2 C 25.990 0.028 2 260 19 19 LEU N N 117.435 0.007 1 261 20 20 LYS H H 7.323 0.001 1 262 20 20 LYS HA H 4.190 0.003 1 263 20 20 LYS HB2 H 1.944 0.004 1 264 20 20 LYS HB3 H 1.944 0.004 1 265 20 20 LYS C C 180.360 0.007 1 266 20 20 LYS CA C 59.320 0.041 1 267 20 20 LYS CB C 32.189 0.016 1 268 20 20 LYS N N 118.338 0.011 1 269 21 21 THR H H 7.970 0.001 1 270 21 21 THR HA H 4.167 0.004 1 271 21 21 THR HB H 4.293 0.003 1 272 21 21 THR HG2 H 1.419 0.002 1 273 21 21 THR C C 175.742 0.002 1 274 21 21 THR CA C 65.132 0.037 1 275 21 21 THR CB C 69.307 0.037 1 276 21 21 THR CG2 C 21.764 0.031 1 277 21 21 THR N N 112.237 0.006 1 278 22 22 ARG H H 7.291 0.001 1 279 22 22 ARG HA H 4.424 0.004 1 280 22 22 ARG HB2 H 2.135 0.002 2 281 22 22 ARG HB3 H 1.772 0.002 2 282 22 22 ARG HG2 H 1.670 0.001 2 283 22 22 ARG HG3 H 1.628 0.003 2 284 22 22 ARG HD2 H 3.238 0.002 2 285 22 22 ARG HD3 H 3.056 0.001 2 286 22 22 ARG HE H 7.565 0.001 1 287 22 22 ARG C C 176.500 0.010 1 288 22 22 ARG CA C 54.330 0.048 1 289 22 22 ARG CB C 29.772 0.042 1 290 22 22 ARG CG C 26.350 0.030 1 291 22 22 ARG CD C 41.935 0.064 1 292 22 22 ARG CZ C 159.817 0.002 1 293 22 22 ARG N N 118.412 0.009 1 294 22 22 ARG NE N 82.883 0.019 1 295 23 23 GLY H H 7.924 0.001 1 296 23 23 GLY HA2 H 3.984 0.006 2 297 23 23 GLY HA3 H 3.866 0.006 2 298 23 23 GLY C C 174.299 0.003 1 299 23 23 GLY CA C 46.364 0.033 1 300 23 23 GLY N N 108.362 0.011 1 301 24 24 VAL H H 7.514 0.002 1 302 24 24 VAL HA H 4.050 0.004 1 303 24 24 VAL HB H 1.945 0.002 1 304 24 24 VAL HG1 H 0.899 0.004 2 305 24 24 VAL HG2 H 0.881 0.002 2 306 24 24 VAL C C 175.623 0.004 1 307 24 24 VAL CA C 61.842 0.047 1 308 24 24 VAL CB C 32.806 0.076 1 309 24 24 VAL CG1 C 21.965 0.012 2 310 24 24 VAL CG2 C 20.961 0.043 2 311 24 24 VAL N N 118.035 0.006 1 312 25 25 LYS H H 8.722 0.001 1 313 25 25 LYS HA H 4.490 0.005 1 314 25 25 LYS HB2 H 1.817 0.001 2 315 25 25 LYS HB3 H 1.706 0.002 2 316 25 25 LYS HG2 H 1.424 0.003 2 317 25 25 LYS HG3 H 1.336 0.001 2 318 25 25 LYS HD2 H 1.672 0.002 1 319 25 25 LYS HD3 H 1.672 0.002 1 320 25 25 LYS HE2 H 2.996 0.001 1 321 25 25 LYS HE3 H 2.996 0.001 1 322 25 25 LYS C C 175.546 0.004 1 323 25 25 LYS CA C 55.726 0.030 1 324 25 25 LYS CB C 32.544 0.039 1 325 25 25 LYS CG C 24.706 0.037 1 326 25 25 LYS CD C 29.104 0.019 1 327 25 25 LYS CE C 42.193 0.010 1 328 25 25 LYS N N 128.361 0.008 1 329 26 26 VAL H H 7.855 0.002 1 330 26 26 VAL HA H 4.364 0.004 1 331 26 26 VAL HB H 2.019 0.005 1 332 26 26 VAL HG1 H 0.835 0.002 2 333 26 26 VAL HG2 H 0.810 0.003 2 334 26 26 VAL C C 174.605 0.004 1 335 26 26 VAL CA C 60.009 0.027 1 336 26 26 VAL CB C 34.463 0.074 1 337 26 26 VAL CG1 C 20.747 0.038 2 338 26 26 VAL CG2 C 21.424 0.016 2 339 26 26 VAL N N 120.059 0.026 1 340 27 27 LYS H H 8.748 0.001 1 341 27 27 LYS HA H 4.494 0.002 1 342 27 27 LYS HB2 H 1.928 0.001 2 343 27 27 LYS HB3 H 1.868 0.001 2 344 27 27 LYS HG2 H 1.591 0.004 2 345 27 27 LYS HG3 H 1.425 0.001 2 346 27 27 LYS HD2 H 1.775 0.001 1 347 27 27 LYS HD3 H 1.775 0.001 1 348 27 27 LYS HE2 H 3.049 0.003 1 349 27 27 LYS HE3 H 3.049 0.003 1 350 27 27 LYS C C 177.533 0.005 1 351 27 27 LYS CA C 55.799 0.034 1 352 27 27 LYS CB C 31.631 0.050 1 353 27 27 LYS CG C 25.148 0.007 1 354 27 27 LYS CD C 29.131 0.011 1 355 27 27 LYS CE C 42.197 0.008 1 356 27 27 LYS N N 126.247 0.008 1 357 28 28 PHE H H 9.109 0.002 1 358 28 28 PHE HA H 3.791 0.003 1 359 28 28 PHE HB2 H 3.292 0.003 2 360 28 28 PHE HB3 H 3.047 0.003 2 361 28 28 PHE HD1 H 7.164 0.003 3 362 28 28 PHE HD2 H 7.164 0.003 3 363 28 28 PHE HE1 H 7.164 0.003 3 364 28 28 PHE HE2 H 7.164 0.003 3 365 28 28 PHE HZ H 7.105 0.001 1 366 28 28 PHE C C 176.848 0.004 1 367 28 28 PHE CA C 63.614 0.035 1 368 28 28 PHE CB C 39.055 0.059 1 369 28 28 PHE CZ C 128.981 0.031 1 370 28 28 PHE N N 131.752 0.022 1 371 29 29 ALA H H 8.934 0.002 1 372 29 29 ALA HA H 3.914 0.005 1 373 29 29 ALA HB H 1.430 0.004 1 374 29 29 ALA C C 180.507 0.013 1 375 29 29 ALA CA C 55.260 0.020 1 376 29 29 ALA CB C 18.576 0.049 1 377 29 29 ALA N N 117.631 0.016 1 378 30 30 ASP H H 7.070 0.002 1 379 30 30 ASP HA H 4.410 0.004 1 380 30 30 ASP HB2 H 2.827 0.001 2 381 30 30 ASP HB3 H 2.767 0.001 2 382 30 30 ASP C C 178.683 0.002 1 383 30 30 ASP CA C 56.725 0.037 1 384 30 30 ASP CB C 40.365 0.034 1 385 30 30 ASP N N 117.326 0.009 1 386 31 31 LEU H H 7.502 0.002 1 387 31 31 LEU HA H 3.409 0.005 1 388 31 31 LEU HB2 H 1.446 0.005 2 389 31 31 LEU HB3 H 0.901 0.003 2 390 31 31 LEU HG H 0.630 0.001 1 391 31 31 LEU HD1 H 0.531 0.002 2 392 31 31 LEU HD2 H 0.535 0.001 2 393 31 31 LEU C C 177.717 0.006 1 394 31 31 LEU CA C 57.200 0.021 1 395 31 31 LEU CB C 40.706 0.035 1 396 31 31 LEU CG C 25.628 0.006 1 397 31 31 LEU CD1 C 23.750 0.045 2 398 31 31 LEU CD2 C 26.259 0.053 2 399 31 31 LEU N N 124.087 0.007 1 400 32 32 LEU H H 7.663 0.003 1 401 32 32 LEU HA H 3.825 0.003 1 402 32 32 LEU HB2 H 1.980 0.002 2 403 32 32 LEU HB3 H 1.509 0.005 2 404 32 32 LEU HG H 1.911 0.003 1 405 32 32 LEU HD1 H 0.735 0.001 2 406 32 32 LEU HD2 H 0.893 0.001 2 407 32 32 LEU C C 179.010 0.030 1 408 32 32 LEU CA C 58.160 0.040 1 409 32 32 LEU CB C 41.078 0.033 1 410 32 32 LEU CG C 26.785 0.011 1 411 32 32 LEU CD1 C 22.760 0.023 2 412 32 32 LEU CD2 C 25.957 0.025 2 413 32 32 LEU N N 116.790 0.006 1 414 33 33 LYS H H 7.915 0.001 1 415 33 33 LYS HA H 4.245 0.003 1 416 33 33 LYS HB2 H 1.940 0.002 2 417 33 33 LYS HB3 H 1.939 0.002 2 418 33 33 LYS HG2 H 1.687 0.001 2 419 33 33 LYS HG3 H 1.522 0.001 2 420 33 33 LYS HD2 H 1.763 0.002 1 421 33 33 LYS HD3 H 1.763 0.002 1 422 33 33 LYS HE2 H 3.012 0.001 1 423 33 33 LYS HE3 H 3.012 0.001 1 424 33 33 LYS C C 180.063 0.006 1 425 33 33 LYS CA C 59.291 0.033 1 426 33 33 LYS CB C 32.022 0.071 1 427 33 33 LYS CG C 25.201 0.033 1 428 33 33 LYS CD C 29.187 0.016 1 429 33 33 LYS CE C 42.178 0.022 1 430 33 33 LYS N N 119.417 0.010 1 431 34 34 PHE H H 7.770 0.002 1 432 34 34 PHE HA H 4.517 0.007 1 433 34 34 PHE HB2 H 3.122 0.002 2 434 34 34 PHE HB3 H 2.945 0.006 2 435 34 34 PHE HD1 H 7.348 0.003 3 436 34 34 PHE HD2 H 7.348 0.003 3 437 34 34 PHE HE1 H 7.702 0.001 3 438 34 34 PHE HE2 H 7.702 0.001 3 439 34 34 PHE HZ H 7.571 0.008 1 440 34 34 PHE C C 177.262 0.004 1 441 34 34 PHE CA C 60.645 0.049 1 442 34 34 PHE CB C 37.524 0.047 1 443 34 34 PHE CE1 C 131.312 0.024 1 444 34 34 PHE CE2 C 131.312 0.024 1 445 34 34 PHE CZ C 125.504 0.021 1 446 34 34 PHE N N 123.107 0.008 1 447 35 35 PHE H H 8.412 0.002 1 448 35 35 PHE HA H 4.323 0.004 1 449 35 35 PHE HB2 H 3.563 0.005 2 450 35 35 PHE HB3 H 3.155 0.002 2 451 35 35 PHE HD1 H 7.063 0.001 3 452 35 35 PHE HD2 H 7.063 0.001 3 453 35 35 PHE HE1 H 6.960 0.001 3 454 35 35 PHE HE2 H 6.960 0.001 3 455 35 35 PHE HZ H 7.181 0.003 1 456 35 35 PHE C C 178.704 0.001 1 457 35 35 PHE CA C 57.755 0.033 1 458 35 35 PHE CB C 35.856 0.041 1 459 35 35 PHE CD1 C 130.048 0.030 1 460 35 35 PHE CD2 C 130.048 0.030 1 461 35 35 PHE CE1 C 128.455 0.043 1 462 35 35 PHE CE2 C 128.455 0.043 1 463 35 35 PHE N N 120.402 0.013 1 464 36 36 ASP H H 8.187 0.002 1 465 36 36 ASP HA H 4.610 0.006 1 466 36 36 ASP HB2 H 3.118 0.002 2 467 36 36 ASP HB3 H 2.865 0.009 2 468 36 36 ASP C C 177.252 0.002 1 469 36 36 ASP CA C 58.639 0.021 1 470 36 36 ASP CB C 40.036 0.056 1 471 36 36 ASP N N 120.257 0.010 1 472 37 37 PHE H H 8.003 0.002 1 473 37 37 PHE HA H 4.419 0.001 1 474 37 37 PHE HB2 H 3.523 0.003 2 475 37 37 PHE HB3 H 3.274 0.001 2 476 37 37 PHE HD1 H 7.061 0.003 3 477 37 37 PHE HD2 H 7.061 0.003 3 478 37 37 PHE HE1 H 6.652 0.002 3 479 37 37 PHE HE2 H 6.652 0.002 3 480 37 37 PHE HZ H 7.041 0.003 1 481 37 37 PHE C C 179.003 0.007 1 482 37 37 PHE CA C 61.602 0.040 1 483 37 37 PHE CB C 38.634 0.042 1 484 37 37 PHE CD1 C 131.723 0.015 1 485 37 37 PHE CD2 C 131.723 0.015 1 486 37 37 PHE CE1 C 131.257 0.050 1 487 37 37 PHE CE2 C 131.257 0.050 1 488 37 37 PHE CZ C 129.810 0.030 1 489 37 37 PHE N N 123.073 0.007 1 490 38 38 VAL H H 8.521 0.001 1 491 38 38 VAL HA H 3.132 0.002 1 492 38 38 VAL HB H 2.372 0.005 1 493 38 38 VAL HG1 H 0.751 0.001 2 494 38 38 VAL HG2 H 0.576 0.001 2 495 38 38 VAL C C 176.353 0.001 1 496 38 38 VAL CA C 67.535 0.031 1 497 38 38 VAL CB C 30.952 0.084 1 498 38 38 VAL CG1 C 24.156 0.035 2 499 38 38 VAL CG2 C 21.371 0.025 2 500 38 38 VAL N N 122.509 0.017 1 501 39 39 LYS H H 7.592 0.002 1 502 39 39 LYS HA H 3.521 0.004 1 503 39 39 LYS HB2 H 2.204 0.004 2 504 39 39 LYS HB3 H 1.596 0.006 2 505 39 39 LYS HG2 H 1.419 0.003 1 506 39 39 LYS HG3 H 1.419 0.003 1 507 39 39 LYS HD2 H 1.753 0.001 2 508 39 39 LYS HD3 H 1.612 0.001 2 509 39 39 LYS HE2 H 2.993 0.001 1 510 39 39 LYS HE3 H 2.993 0.001 1 511 39 39 LYS C C 176.554 0.006 1 512 39 39 LYS CA C 59.863 0.028 1 513 39 39 LYS CB C 32.065 0.073 1 514 39 39 LYS CG C 25.023 0.029 1 515 39 39 LYS CD C 29.714 0.037 1 516 39 39 LYS CE C 42.261 0.030 1 517 39 39 LYS N N 118.807 0.008 1 518 40 40 ASP H H 8.118 0.001 1 519 40 40 ASP HA H 4.274 0.004 1 520 40 40 ASP HB2 H 2.554 0.002 1 521 40 40 ASP HB3 H 2.554 0.002 1 522 40 40 ASP C C 177.997 0.002 1 523 40 40 ASP CA C 56.901 0.008 1 524 40 40 ASP CB C 41.373 0.062 1 525 40 40 ASP N N 116.175 0.013 1 526 41 41 THR H H 7.777 0.002 1 527 41 41 THR HA H 3.881 0.004 1 528 41 41 THR HB H 3.686 0.004 1 529 41 41 THR HG2 H 0.893 0.001 1 530 41 41 THR C C 175.123 0.004 1 531 41 41 THR CA C 65.019 0.032 1 532 41 41 THR CB C 69.669 0.041 1 533 41 41 THR CG2 C 21.905 0.004 1 534 41 41 THR N N 112.353 0.010 1 535 42 42 CYS H H 8.385 0.002 1 536 42 42 CYS HA H 4.651 0.001 1 537 42 42 CYS HB2 H 2.492 0.002 2 538 42 42 CYS HB3 H 1.721 0.001 2 539 42 42 CYS C C 171.873 0.005 1 540 42 42 CYS CA C 55.515 0.029 1 541 42 42 CYS CB C 28.281 0.033 1 542 42 42 CYS N N 118.339 0.013 1 543 43 43 PRO HA H 4.376 0.004 1 544 43 43 PRO HB2 H 2.492 0.003 2 545 43 43 PRO HB3 H 2.035 0.003 2 546 43 43 PRO HG2 H 2.161 0.004 1 547 43 43 PRO HG3 H 2.161 0.004 1 548 43 43 PRO HD2 H 3.717 0.003 2 549 43 43 PRO HD3 H 3.341 0.002 2 550 43 43 PRO C C 176.900 0.004 1 551 43 43 PRO CA C 65.604 0.054 1 552 43 43 PRO CB C 31.162 0.062 1 553 43 43 PRO CG C 27.585 0.062 1 554 43 43 PRO CD C 50.224 0.027 1 555 43 43 PRO N N 139.623 0.020 1 556 44 44 TRP H H 6.678 0.001 1 557 44 44 TRP HA H 4.432 0.003 1 558 44 44 TRP HB2 H 3.602 0.005 2 559 44 44 TRP HB3 H 3.263 0.004 2 560 44 44 TRP HD1 H 7.577 0.006 1 561 44 44 TRP HE1 H 10.358 0.001 1 562 44 44 TRP HE3 H 7.262 0.003 1 563 44 44 TRP HZ2 H 7.360 0.003 1 564 44 44 TRP HZ3 H 7.497 0.008 1 565 44 44 TRP HH2 H 7.224 0.003 1 566 44 44 TRP C C 177.119 0.030 1 567 44 44 TRP CA C 55.795 0.050 1 568 44 44 TRP CB C 28.087 0.036 1 569 44 44 TRP CD1 C 127.528 0.064 1 570 44 44 TRP CE2 C 138.990 0.030 1 571 44 44 TRP CE3 C 121.920 0.040 1 572 44 44 TRP CZ2 C 114.223 0.054 1 573 44 44 TRP CZ3 C 122.020 0.013 1 574 44 44 TRP N N 113.856 0.007 1 575 44 44 TRP NE1 N 129.478 0.006 1 576 45 45 PHE H H 7.349 0.001 1 577 45 45 PHE HA H 4.107 0.003 1 578 45 45 PHE HB2 H 2.599 0.001 2 579 45 45 PHE HB3 H 1.233 0.003 2 580 45 45 PHE HD1 H 6.842 0.005 3 581 45 45 PHE HD2 H 6.842 0.005 3 582 45 45 PHE HE1 H 7.205 0.003 3 583 45 45 PHE HE2 H 7.205 0.003 3 584 45 45 PHE HZ H 7.205 0.003 1 585 45 45 PHE C C 175.450 0.003 1 586 45 45 PHE CA C 63.015 0.041 1 587 45 45 PHE CB C 35.180 0.017 1 588 45 45 PHE CD1 C 128.891 0.020 1 589 45 45 PHE CD2 C 128.891 0.020 1 590 45 45 PHE N N 122.873 0.013 1 591 46 46 PRO HA H 4.058 0.004 1 592 46 46 PRO HB2 H 2.153 0.002 2 593 46 46 PRO HB3 H 2.025 0.006 2 594 46 46 PRO HG2 H 2.196 0.003 2 595 46 46 PRO HG3 H 1.672 0.002 2 596 46 46 PRO HD2 H 4.298 0.003 2 597 46 46 PRO HD3 H 3.413 0.003 2 598 46 46 PRO C C 176.689 0.008 1 599 46 46 PRO CA C 64.927 0.043 1 600 46 46 PRO CB C 30.571 0.073 1 601 46 46 PRO CG C 28.130 0.055 1 602 46 46 PRO CD C 49.684 0.028 1 603 46 46 PRO N N 134.790 0.020 1 604 47 47 GLN H H 6.594 0.001 1 605 47 47 GLN HA H 3.975 0.003 1 606 47 47 GLN HB2 H 2.141 0.003 1 607 47 47 GLN HB3 H 2.141 0.003 1 608 47 47 GLN HG2 H 2.449 0.003 1 609 47 47 GLN HG3 H 2.449 0.003 1 610 47 47 GLN HE21 H 7.446 0.001 2 611 47 47 GLN HE22 H 6.859 0.001 2 612 47 47 GLN C C 177.484 0.006 1 613 47 47 GLN CA C 58.465 0.071 1 614 47 47 GLN CB C 28.598 0.023 1 615 47 47 GLN CG C 33.491 0.030 1 616 47 47 GLN CD C 179.905 0.010 1 617 47 47 GLN N N 114.417 0.007 1 618 47 47 GLN NE2 N 111.386 0.018 1 619 48 48 GLU H H 7.785 0.002 1 620 48 48 GLU HA H 4.149 0.004 1 621 48 48 GLU HB2 H 2.241 0.003 2 622 48 48 GLU HB3 H 2.169 0.001 2 623 48 48 GLU HG2 H 2.751 0.001 2 624 48 48 GLU HG3 H 2.358 0.001 2 625 48 48 GLU C C 179.379 0.001 1 626 48 48 GLU CA C 58.386 0.030 1 627 48 48 GLU CB C 29.429 0.043 1 628 48 48 GLU CG C 37.329 0.021 1 629 48 48 GLU N N 117.320 0.015 1 630 49 49 GLY H H 7.331 0.001 1 631 49 49 GLY HA2 H 3.593 0.003 2 632 49 49 GLY HA3 H 3.213 0.004 2 633 49 49 GLY C C 171.171 0.003 1 634 49 49 GLY CA C 47.467 0.030 1 635 49 49 GLY N N 105.403 0.007 1 636 50 50 THR H H 7.650 0.002 1 637 50 50 THR HA H 4.320 0.007 1 638 50 50 THR HB H 3.558 0.004 1 639 50 50 THR HG2 H 1.106 0.003 1 640 50 50 THR C C 173.219 0.030 1 641 50 50 THR CA C 61.972 0.044 1 642 50 50 THR CB C 71.070 0.023 1 643 50 50 THR CG2 C 21.799 0.021 1 644 50 50 THR N N 114.054 0.014 1 645 51 51 ILE H H 10.085 0.002 1 646 51 51 ILE HA H 4.186 0.007 1 647 51 51 ILE HB H 2.069 0.004 1 648 51 51 ILE HG12 H 1.272 0.001 2 649 51 51 ILE HG13 H 1.234 0.001 2 650 51 51 ILE HG2 H 0.685 0.002 1 651 51 51 ILE HD1 H 0.659 0.001 1 652 51 51 ILE C C 172.793 0.002 1 653 51 51 ILE CA C 59.427 0.030 1 654 51 51 ILE CB C 35.803 0.077 1 655 51 51 ILE CG1 C 26.705 0.009 1 656 51 51 ILE CG2 C 18.020 0.029 1 657 51 51 ILE CD1 C 12.638 0.015 1 658 51 51 ILE N N 128.547 0.012 1 659 52 52 ASP H H 7.218 0.001 1 660 52 52 ASP HA H 4.649 0.006 1 661 52 52 ASP HB2 H 3.159 0.006 2 662 52 52 ASP HB3 H 2.762 0.005 2 663 52 52 ASP C C 175.978 0.003 1 664 52 52 ASP CA C 52.103 0.047 1 665 52 52 ASP CB C 42.843 0.029 1 666 52 52 ASP N N 121.707 0.005 1 667 53 53 ILE H H 8.835 0.001 1 668 53 53 ILE HA H 4.209 0.005 1 669 53 53 ILE HB H 1.993 0.004 1 670 53 53 ILE HG12 H 1.623 0.002 1 671 53 53 ILE HG13 H 1.623 0.002 1 672 53 53 ILE HG2 H 1.112 0.002 1 673 53 53 ILE HD1 H 1.038 0.001 1 674 53 53 ILE C C 177.158 0.004 1 675 53 53 ILE CA C 62.212 0.041 1 676 53 53 ILE CB C 38.148 0.057 1 677 53 53 ILE CG1 C 28.632 0.019 1 678 53 53 ILE CG2 C 18.333 0.025 1 679 53 53 ILE CD1 C 13.682 0.030 1 680 53 53 ILE N N 119.502 0.009 1 681 54 54 LYS H H 8.156 0.001 1 682 54 54 LYS HA H 4.166 0.004 1 683 54 54 LYS HB2 H 2.053 0.001 2 684 54 54 LYS HB3 H 1.949 0.001 2 685 54 54 LYS HG2 H 1.592 0.002 2 686 54 54 LYS HG3 H 1.468 0.001 2 687 54 54 LYS HD2 H 1.771 0.001 1 688 54 54 LYS HD3 H 1.771 0.001 1 689 54 54 LYS HE2 H 3.047 0.002 1 690 54 54 LYS HE3 H 3.047 0.002 1 691 54 54 LYS C C 180.696 0.015 1 692 54 54 LYS CA C 60.235 0.047 1 693 54 54 LYS CB C 32.018 0.037 1 694 54 54 LYS CG C 25.393 0.012 1 695 54 54 LYS CD C 29.498 0.014 1 696 54 54 LYS CE C 42.122 0.026 1 697 54 54 LYS N N 123.623 0.012 1 698 55 55 ARG H H 9.266 0.001 1 699 55 55 ARG HA H 4.398 0.004 1 700 55 55 ARG HD2 H 3.288 0.003 2 701 55 55 ARG HD3 H 3.242 0.003 2 702 55 55 ARG HE H 7.911 0.001 1 703 55 55 ARG C C 179.321 0.017 1 704 55 55 ARG CA C 60.040 0.050 1 705 55 55 ARG CB C 30.301 0.030 1 706 55 55 ARG CD C 43.448 0.058 1 707 55 55 ARG CZ C 159.652 0.002 1 708 55 55 ARG N N 120.428 0.008 1 709 55 55 ARG NE N 85.576 0.016 1 710 56 56 TRP H H 8.956 0.003 1 711 56 56 TRP HA H 4.795 0.003 1 712 56 56 TRP HB2 H 3.382 0.005 1 713 56 56 TRP HB3 H 3.382 0.005 1 714 56 56 TRP HD1 H 6.010 0.004 1 715 56 56 TRP HE1 H 8.656 0.001 1 716 56 56 TRP HE3 H 7.025 0.005 1 717 56 56 TRP HZ2 H 7.481 0.004 1 718 56 56 TRP HZ3 H 6.211 0.002 1 719 56 56 TRP HH2 H 7.126 0.006 1 720 56 56 TRP C C 180.181 0.004 1 721 56 56 TRP CA C 59.509 0.034 1 722 56 56 TRP CB C 30.414 0.072 1 723 56 56 TRP CD1 C 125.130 0.103 1 724 56 56 TRP CE2 C 139.219 0.030 1 725 56 56 TRP CE3 C 120.795 0.099 1 726 56 56 TRP CZ2 C 113.708 0.073 1 727 56 56 TRP CZ3 C 121.016 0.039 1 728 56 56 TRP CH2 C 122.723 0.059 1 729 56 56 TRP N N 120.688 0.009 1 730 56 56 TRP NE1 N 126.367 0.013 1 731 57 57 ARG H H 9.289 0.001 1 732 57 57 ARG HA H 4.472 0.004 1 733 57 57 ARG HB2 H 2.245 0.003 1 734 57 57 ARG HB3 H 2.245 0.003 1 735 57 57 ARG HG2 H 2.065 0.001 2 736 57 57 ARG HG3 H 1.962 0.002 2 737 57 57 ARG HD2 H 3.402 0.003 2 738 57 57 ARG HD3 H 3.327 0.002 2 739 57 57 ARG HE H 7.439 0.001 1 740 57 57 ARG C C 178.280 0.010 1 741 57 57 ARG CA C 60.472 0.047 1 742 57 57 ARG CB C 29.976 0.070 1 743 57 57 ARG CG C 28.201 0.043 1 744 57 57 ARG CD C 43.676 0.034 1 745 57 57 ARG CZ C 159.698 0.002 1 746 57 57 ARG N N 122.255 0.009 1 747 57 57 ARG NE N 85.886 0.029 1 748 58 58 ARG H H 7.675 0.002 1 749 58 58 ARG HA H 4.276 0.004 1 750 58 58 ARG HB2 H 2.252 0.001 1 751 58 58 ARG HB3 H 2.252 0.001 1 752 58 58 ARG HG2 H 1.910 0.002 2 753 58 58 ARG HG3 H 1.652 0.002 2 754 58 58 ARG HD2 H 3.038 0.003 2 755 58 58 ARG HD3 H 2.791 0.003 2 756 58 58 ARG HE H 6.717 0.001 1 757 58 58 ARG C C 179.662 0.003 1 758 58 58 ARG CA C 59.993 0.044 1 759 58 58 ARG CB C 30.082 0.081 1 760 58 58 ARG CG C 27.588 0.103 1 761 58 58 ARG CD C 43.727 0.041 1 762 58 58 ARG CZ C 158.985 0.002 1 763 58 58 ARG N N 120.698 0.024 1 764 58 58 ARG NE N 83.514 0.010 1 765 59 59 VAL H H 7.858 0.002 1 766 59 59 VAL HA H 3.714 0.003 1 767 59 59 VAL HB H 1.545 0.006 1 768 59 59 VAL HG1 H -0.360 0.001 2 769 59 59 VAL HG2 H 0.477 0.001 2 770 59 59 VAL C C 176.754 0.004 1 771 59 59 VAL CA C 66.262 0.030 1 772 59 59 VAL CB C 31.199 0.070 1 773 59 59 VAL CG1 C 20.789 0.026 2 774 59 59 VAL CG2 C 22.988 0.026 2 775 59 59 VAL N N 121.812 0.014 1 776 60 60 GLY H H 7.587 0.003 1 777 60 60 GLY HA2 H 2.297 0.004 2 778 60 60 GLY HA3 H 2.622 0.006 2 779 60 60 GLY C C 176.105 0.003 1 780 60 60 GLY CA C 46.319 0.035 1 781 60 60 GLY N N 106.437 0.015 1 782 61 61 ASP H H 8.277 0.002 1 783 61 61 ASP HA H 4.302 0.001 1 784 61 61 ASP HB2 H 2.811 0.003 2 785 61 61 ASP HB3 H 2.757 0.001 2 786 61 61 ASP C C 178.731 0.001 1 787 61 61 ASP CA C 57.232 0.046 1 788 61 61 ASP CB C 40.043 0.068 1 789 61 61 ASP N N 123.067 0.018 1 790 62 62 CYS H H 7.881 0.001 1 791 62 62 CYS HA H 4.260 0.003 1 792 62 62 CYS HB2 H 3.201 0.003 2 793 62 62 CYS HB3 H 2.904 0.004 2 794 62 62 CYS HG H 1.947 0.002 1 795 62 62 CYS C C 177.297 0.004 1 796 62 62 CYS CA C 62.596 0.033 1 797 62 62 CYS CB C 26.464 0.035 1 798 62 62 CYS N N 121.045 0.008 1 799 63 63 PHE H H 8.528 0.001 1 800 63 63 PHE HA H 4.454 0.003 1 801 63 63 PHE HB2 H 2.866 0.005 2 802 63 63 PHE HB3 H 3.449 0.002 2 803 63 63 PHE HD1 H 6.714 0.001 3 804 63 63 PHE HD2 H 6.714 0.001 3 805 63 63 PHE HE1 H 7.241 0.003 3 806 63 63 PHE HE2 H 7.241 0.003 3 807 63 63 PHE HZ H 7.002 0.002 1 808 63 63 PHE C C 178.320 0.030 1 809 63 63 PHE CA C 57.901 0.049 1 810 63 63 PHE CB C 36.930 0.030 1 811 63 63 PHE CD1 C 128.703 0.044 1 812 63 63 PHE CD2 C 128.703 0.044 1 813 63 63 PHE CE1 C 131.151 0.019 1 814 63 63 PHE CE2 C 131.151 0.019 1 815 63 63 PHE CZ C 127.920 0.063 1 816 63 63 PHE N N 118.817 0.014 1 817 64 64 GLN H H 8.310 0.003 1 818 64 64 GLN HA H 4.242 0.003 1 819 64 64 GLN HB2 H 2.274 0.003 1 820 64 64 GLN HB3 H 2.274 0.003 1 821 64 64 GLN HG2 H 2.449 0.003 1 822 64 64 GLN HG3 H 2.449 0.003 1 823 64 64 GLN HE21 H 7.472 0.001 2 824 64 64 GLN HE22 H 6.819 0.001 2 825 64 64 GLN C C 177.840 0.006 1 826 64 64 GLN CA C 59.506 0.020 1 827 64 64 GLN CB C 28.559 0.003 1 828 64 64 GLN CG C 33.382 0.030 1 829 64 64 GLN CD C 179.738 0.009 1 830 64 64 GLN N N 118.805 0.016 1 831 64 64 GLN NE2 N 112.073 0.003 1 832 65 65 ASP H H 8.283 0.003 1 833 65 65 ASP HA H 4.571 0.004 1 834 65 65 ASP HB2 H 2.868 0.002 1 835 65 65 ASP HB3 H 2.868 0.002 1 836 65 65 ASP C C 179.488 0.003 1 837 65 65 ASP CA C 57.735 0.059 1 838 65 65 ASP CB C 41.170 0.106 1 839 65 65 ASP N N 120.231 0.019 1 840 66 66 TYR H H 8.967 0.003 1 841 66 66 TYR HA H 4.669 0.006 1 842 66 66 TYR HB2 H 3.441 0.009 2 843 66 66 TYR HB3 H 3.173 0.003 2 844 66 66 TYR HD1 H 7.173 0.005 3 845 66 66 TYR HD2 H 7.173 0.005 3 846 66 66 TYR HE1 H 6.934 0.003 3 847 66 66 TYR HE2 H 6.934 0.003 3 848 66 66 TYR C C 178.761 0.030 1 849 66 66 TYR CA C 60.315 0.037 1 850 66 66 TYR CB C 38.132 0.070 1 851 66 66 TYR CD1 C 131.753 0.030 1 852 66 66 TYR CD2 C 131.753 0.030 1 853 66 66 TYR CE1 C 118.698 0.017 1 854 66 66 TYR CE2 C 118.698 0.017 1 855 66 66 TYR N N 120.502 0.014 1 856 67 67 PHE H H 9.191 0.002 1 857 67 67 PHE HA H 4.191 0.002 1 858 67 67 PHE HB2 H 3.419 0.004 2 859 67 67 PHE HB3 H 3.519 0.006 2 860 67 67 PHE HD1 H 7.464 0.003 3 861 67 67 PHE HD2 H 7.464 0.003 3 862 67 67 PHE HE1 H 7.366 0.003 3 863 67 67 PHE HE2 H 7.366 0.003 3 864 67 67 PHE HZ H 7.366 0.003 1 865 67 67 PHE C C 178.296 0.009 1 866 67 67 PHE CA C 62.000 0.027 1 867 67 67 PHE CB C 40.093 0.045 1 868 67 67 PHE N N 122.616 0.015 1 869 68 68 ASN H H 8.856 0.002 1 870 68 68 ASN HA H 4.426 0.001 1 871 68 68 ASN HB2 H 3.158 0.010 2 872 68 68 ASN HB3 H 2.953 0.005 2 873 68 68 ASN HD21 H 7.811 0.001 2 874 68 68 ASN HD22 H 7.041 0.001 2 875 68 68 ASN C C 176.802 0.008 1 876 68 68 ASN CA C 55.664 0.042 1 877 68 68 ASN CB C 38.217 0.051 1 878 68 68 ASN CG C 176.459 0.012 1 879 68 68 ASN N N 118.741 0.013 1 880 68 68 ASN ND2 N 111.736 0.017 1 881 69 69 THR H H 7.971 0.001 1 882 69 69 THR HA H 3.943 0.007 1 883 69 69 THR HB H 3.669 0.007 1 884 69 69 THR HG2 H 0.382 0.001 1 885 69 69 THR C C 175.010 0.008 1 886 69 69 THR CA C 65.499 0.023 1 887 69 69 THR CB C 69.686 0.030 1 888 69 69 THR CG2 C 20.850 0.013 1 889 69 69 THR N N 114.120 0.011 1 890 70 70 PHE H H 8.614 0.001 1 891 70 70 PHE HA H 4.687 0.002 1 892 70 70 PHE HB2 H 3.245 0.003 2 893 70 70 PHE HB3 H 2.773 0.005 2 894 70 70 PHE HD1 H 7.255 0.003 3 895 70 70 PHE HD2 H 7.255 0.003 3 896 70 70 PHE HE1 H 7.247 0.003 3 897 70 70 PHE HE2 H 7.247 0.003 3 898 70 70 PHE HZ H 7.309 0.003 1 899 70 70 PHE C C 176.687 0.001 1 900 70 70 PHE CA C 58.726 0.034 1 901 70 70 PHE CB C 41.330 0.041 1 902 70 70 PHE N N 118.058 0.019 1 903 71 71 GLY H H 7.963 0.001 1 904 71 71 GLY HA2 H 4.315 0.005 2 905 71 71 GLY HA3 H 3.470 0.004 2 906 71 71 GLY C C 172.301 0.003 1 907 71 71 GLY CA C 45.083 0.024 1 908 71 71 GLY N N 109.257 0.013 1 909 72 72 PRO HA H 4.815 0.001 1 910 72 72 PRO HB2 H 2.489 0.003 2 911 72 72 PRO HB3 H 2.123 0.004 2 912 72 72 PRO HG2 H 2.100 0.001 1 913 72 72 PRO HG3 H 2.100 0.001 1 914 72 72 PRO HD2 H 3.814 0.004 2 915 72 72 PRO HD3 H 3.320 0.001 2 916 72 72 PRO C C 177.856 0.009 1 917 72 72 PRO CA C 63.666 0.024 1 918 72 72 PRO CB C 32.253 0.063 1 919 72 72 PRO CG C 27.131 0.045 1 920 72 72 PRO CD C 50.276 0.027 1 921 72 72 PRO N N 131.854 0.020 1 922 73 73 GLU H H 8.621 0.001 1 923 73 73 GLU HA H 4.106 0.004 1 924 73 73 GLU HB2 H 2.040 0.001 2 925 73 73 GLU HB3 H 2.037 0.006 2 926 73 73 GLU HG2 H 2.311 0.003 1 927 73 73 GLU HG3 H 2.311 0.003 1 928 73 73 GLU C C 177.360 0.002 1 929 73 73 GLU CA C 58.568 0.011 1 930 73 73 GLU CB C 29.292 0.055 1 931 73 73 GLU CG C 36.749 0.058 1 932 73 73 GLU N N 117.487 0.012 1 933 74 74 LYS H H 7.571 0.003 1 934 74 74 LYS HA H 4.464 0.004 1 935 74 74 LYS HB2 H 1.664 0.002 2 936 74 74 LYS HB3 H 2.017 0.002 2 937 74 74 LYS HG2 H 1.353 0.003 2 938 74 74 LYS HG3 H 1.277 0.002 2 939 74 74 LYS HD2 H 1.550 0.001 2 940 74 74 LYS HD3 H 1.364 0.002 2 941 74 74 LYS HE2 H 2.485 0.002 2 942 74 74 LYS HE3 H 2.418 0.002 2 943 74 74 LYS C C 175.864 0.005 1 944 74 74 LYS CA C 55.576 0.014 1 945 74 74 LYS CB C 34.425 0.043 1 946 74 74 LYS CG C 25.236 0.044 1 947 74 74 LYS CD C 28.278 0.021 1 948 74 74 LYS CE C 41.846 0.023 1 949 74 74 LYS N N 116.812 0.001 1 950 75 75 VAL H H 7.445 0.002 1 951 75 75 VAL HA H 4.507 0.004 1 952 75 75 VAL HB H 2.302 0.004 1 953 75 75 VAL HG1 H 1.199 0.003 2 954 75 75 VAL HG2 H 0.577 0.002 2 955 75 75 VAL C C 171.389 0.006 1 956 75 75 VAL CA C 58.693 0.033 1 957 75 75 VAL CB C 33.972 0.013 1 958 75 75 VAL CG1 C 21.575 0.023 2 959 75 75 VAL CG2 C 21.332 0.011 2 960 75 75 VAL N N 118.046 0.007 1 961 76 76 PRO HA H 4.620 0.005 1 962 76 76 PRO HB2 H 1.816 0.004 2 963 76 76 PRO HB3 H 2.280 0.005 2 964 76 76 PRO HG2 H 1.768 0.002 2 965 76 76 PRO HG3 H 1.584 0.001 2 966 76 76 PRO HD2 H 2.821 0.003 2 967 76 76 PRO HD3 H 3.327 0.003 2 968 76 76 PRO C C 178.780 0.001 1 969 76 76 PRO CA C 62.230 0.030 1 970 76 76 PRO CB C 32.352 0.055 1 971 76 76 PRO CG C 27.156 0.060 1 972 76 76 PRO CD C 50.427 0.025 1 973 76 76 PRO N N 135.967 0.020 1 974 77 77 VAL H H 8.641 0.003 1 975 77 77 VAL HA H 3.954 0.006 1 976 77 77 VAL HB H 2.258 0.007 1 977 77 77 VAL HG1 H 1.105 0.003 1 978 77 77 VAL HG2 H 1.105 0.003 1 979 77 77 VAL C C 178.529 0.007 1 980 77 77 VAL CA C 65.642 0.029 1 981 77 77 VAL CB C 31.632 0.093 1 982 77 77 VAL CG1 C 21.153 0.022 1 983 77 77 VAL CG2 C 21.153 0.022 1 984 77 77 VAL N N 119.399 0.007 1 985 78 78 THR H H 7.404 0.001 1 986 78 78 THR HA H 3.983 0.004 1 987 78 78 THR HB H 4.044 0.003 1 988 78 78 THR HG2 H 1.225 0.001 1 989 78 78 THR C C 175.989 0.001 1 990 78 78 THR CA C 63.119 0.027 1 991 78 78 THR CB C 68.445 0.042 1 992 78 78 THR CG2 C 22.310 0.042 1 993 78 78 THR N N 109.224 0.010 1 994 79 79 ALA H H 7.899 0.001 1 995 79 79 ALA HA H 4.093 0.004 1 996 79 79 ALA HB H 0.840 0.004 1 997 79 79 ALA C C 179.771 0.001 1 998 79 79 ALA CA C 55.227 0.054 1 999 79 79 ALA CB C 17.624 0.061 1 1000 79 79 ALA N N 123.937 0.011 1 1001 80 80 PHE H H 7.302 0.002 1 1002 80 80 PHE HA H 4.462 0.003 1 1003 80 80 PHE HB2 H 3.317 0.006 2 1004 80 80 PHE HB3 H 3.000 0.005 2 1005 80 80 PHE HD1 H 7.265 0.003 3 1006 80 80 PHE HD2 H 7.265 0.003 3 1007 80 80 PHE HE1 H 6.833 0.003 3 1008 80 80 PHE HE2 H 6.833 0.003 3 1009 80 80 PHE HZ H 6.833 0.003 1 1010 80 80 PHE C C 178.732 0.005 1 1011 80 80 PHE CA C 61.938 0.039 1 1012 80 80 PHE CB C 38.183 0.045 1 1013 80 80 PHE N N 114.087 0.015 1 1014 81 81 SER H H 7.699 0.003 1 1015 81 81 SER HA H 4.429 0.003 1 1016 81 81 SER HB2 H 3.803 0.003 1 1017 81 81 SER HB3 H 3.803 0.003 1 1018 81 81 SER C C 178.506 0.030 1 1019 81 81 SER CA C 61.488 0.023 1 1020 81 81 SER CB C 62.097 0.055 1 1021 81 81 SER N N 116.743 0.014 1 1022 82 82 TYR H H 8.127 0.001 1 1023 82 82 TYR HA H 4.153 0.004 1 1024 82 82 TYR HB2 H 1.619 0.005 1 1025 82 82 TYR HB3 H 1.619 0.005 1 1026 82 82 TYR HD1 H 6.735 0.002 3 1027 82 82 TYR HD2 H 6.735 0.002 3 1028 82 82 TYR HE1 H 6.582 0.002 3 1029 82 82 TYR HE2 H 6.582 0.002 3 1030 82 82 TYR C C 177.882 0.001 1 1031 82 82 TYR CA C 60.792 0.024 1 1032 82 82 TYR CB C 34.438 0.060 1 1033 82 82 TYR CD1 C 132.059 0.022 1 1034 82 82 TYR CD2 C 132.059 0.022 1 1035 82 82 TYR CE1 C 117.445 0.059 1 1036 82 82 TYR CE2 C 117.445 0.059 1 1037 82 82 TYR N N 121.760 0.012 1 1038 83 83 TRP H H 8.672 0.001 1 1039 83 83 TRP HA H 4.489 0.005 1 1040 83 83 TRP HB2 H 3.684 0.002 2 1041 83 83 TRP HB3 H 3.962 0.010 2 1042 83 83 TRP HD1 H 5.831 0.005 1 1043 83 83 TRP HE1 H 8.086 0.001 1 1044 83 83 TRP HE3 H 7.340 0.001 1 1045 83 83 TRP HZ2 H 7.136 0.004 1 1046 83 83 TRP HZ3 H 7.839 0.003 1 1047 83 83 TRP C C 179.630 0.007 1 1048 83 83 TRP CA C 64.122 0.044 1 1049 83 83 TRP CB C 28.686 0.027 1 1050 83 83 TRP CD1 C 125.864 0.033 1 1051 83 83 TRP CE2 C 138.365 0.030 1 1052 83 83 TRP CE3 C 125.008 0.030 1 1053 83 83 TRP CZ2 C 113.558 0.036 1 1054 83 83 TRP CZ3 C 121.184 0.110 1 1055 83 83 TRP N N 120.708 0.010 1 1056 83 83 TRP NE1 N 127.207 0.007 1 1057 84 84 ASN H H 8.408 0.002 1 1058 84 84 ASN HA H 4.287 0.007 1 1059 84 84 ASN HB2 H 3.131 0.002 2 1060 84 84 ASN HB3 H 2.963 0.003 2 1061 84 84 ASN HD21 H 7.687 0.002 2 1062 84 84 ASN HD22 H 7.201 0.002 2 1063 84 84 ASN C C 176.278 0.001 1 1064 84 84 ASN CA C 57.101 0.018 1 1065 84 84 ASN CB C 39.501 0.047 1 1066 84 84 ASN CG C 176.046 0.009 1 1067 84 84 ASN N N 119.277 0.016 1 1068 84 84 ASN ND2 N 113.901 0.015 1 1069 85 85 LEU H H 7.782 0.002 1 1070 85 85 LEU HA H 4.109 0.002 1 1071 85 85 LEU HB2 H 1.930 0.004 2 1072 85 85 LEU HB3 H 1.794 0.004 2 1073 85 85 LEU HG H 1.623 0.001 1 1074 85 85 LEU HD1 H 0.856 0.003 2 1075 85 85 LEU HD2 H 0.831 0.001 2 1076 85 85 LEU C C 178.626 0.001 1 1077 85 85 LEU CA C 58.554 0.035 1 1078 85 85 LEU CB C 42.095 0.036 1 1079 85 85 LEU CG C 27.342 0.030 1 1080 85 85 LEU CD1 C 24.887 0.009 2 1081 85 85 LEU CD2 C 25.267 0.010 2 1082 85 85 LEU N N 121.953 0.006 1 1083 86 86 ILE H H 8.000 0.001 1 1084 86 86 ILE HA H 3.543 0.003 1 1085 86 86 ILE HB H 2.021 0.011 1 1086 86 86 ILE HG12 H 2.084 0.001 2 1087 86 86 ILE HG13 H 1.455 0.002 2 1088 86 86 ILE HG2 H -0.427 0.002 1 1089 86 86 ILE HD1 H 0.850 0.002 1 1090 86 86 ILE C C 177.103 0.007 1 1091 86 86 ILE CA C 61.439 0.031 1 1092 86 86 ILE CB C 34.696 0.068 1 1093 86 86 ILE CG1 C 27.833 0.033 1 1094 86 86 ILE CG2 C 16.644 0.022 1 1095 86 86 ILE CD1 C 9.049 0.017 1 1096 86 86 ILE N N 116.732 0.011 1 1097 87 87 LYS H H 7.945 0.001 1 1098 87 87 LYS HA H 3.274 0.003 1 1099 87 87 LYS HB2 H 1.845 0.002 2 1100 87 87 LYS HB3 H 0.828 0.008 2 1101 87 87 LYS HG2 H 1.423 0.001 2 1102 87 87 LYS HG3 H 1.286 0.001 2 1103 87 87 LYS HD2 H 1.769 0.003 2 1104 87 87 LYS HD3 H 1.620 0.002 2 1105 87 87 LYS HE2 H 3.048 0.002 1 1106 87 87 LYS HE3 H 3.048 0.002 1 1107 87 87 LYS C C 177.387 0.010 1 1108 87 87 LYS CA C 60.384 0.035 1 1109 87 87 LYS CB C 31.381 0.053 1 1110 87 87 LYS CG C 24.190 0.042 1 1111 87 87 LYS CD C 29.396 0.029 1 1112 87 87 LYS CE C 42.174 0.048 1 1113 87 87 LYS N N 122.044 0.012 1 1114 88 88 GLU H H 7.756 0.002 1 1115 88 88 GLU HA H 4.002 0.006 1 1116 88 88 GLU HB2 H 2.172 0.002 2 1117 88 88 GLU HB3 H 2.027 0.002 2 1118 88 88 GLU HG2 H 2.506 0.002 2 1119 88 88 GLU HG3 H 2.279 0.001 2 1120 88 88 GLU C C 179.026 0.030 1 1121 88 88 GLU CA C 58.984 0.029 1 1122 88 88 GLU CB C 29.325 0.052 1 1123 88 88 GLU CG C 36.523 0.021 1 1124 88 88 GLU N N 116.248 0.011 1 1125 89 89 LEU H H 7.425 0.002 1 1126 89 89 LEU HA H 3.976 0.002 1 1127 89 89 LEU HB2 H 1.818 0.003 2 1128 89 89 LEU HB3 H 1.277 0.002 2 1129 89 89 LEU HG H 1.779 0.001 1 1130 89 89 LEU HD1 H 0.715 0.001 2 1131 89 89 LEU HD2 H 0.680 0.001 2 1132 89 89 LEU C C 178.266 0.001 1 1133 89 89 LEU CA C 58.001 0.042 1 1134 89 89 LEU CB C 41.923 0.030 1 1135 89 89 LEU CG C 26.559 0.015 1 1136 89 89 LEU CD1 C 25.806 0.036 2 1137 89 89 LEU CD2 C 23.888 0.037 2 1138 89 89 LEU N N 118.055 0.004 1 1139 90 90 ILE H H 8.183 0.004 1 1140 90 90 ILE HA H 3.374 0.005 1 1141 90 90 ILE HB H 1.664 0.003 1 1142 90 90 ILE HG12 H 1.388 0.002 2 1143 90 90 ILE HG13 H 0.490 0.005 2 1144 90 90 ILE HG2 H 0.663 0.002 1 1145 90 90 ILE HD1 H 0.072 0.001 1 1146 90 90 ILE C C 178.831 0.008 1 1147 90 90 ILE CA C 65.559 0.022 1 1148 90 90 ILE CB C 37.854 0.033 1 1149 90 90 ILE CG1 C 28.298 0.033 1 1150 90 90 ILE CG2 C 17.549 0.028 1 1151 90 90 ILE CD1 C 13.557 0.023 1 1152 90 90 ILE N N 116.047 0.019 1 1153 91 91 ASP H H 8.424 0.003 1 1154 91 91 ASP HA H 4.487 0.007 1 1155 91 91 ASP HB2 H 2.852 0.001 2 1156 91 91 ASP HB3 H 2.651 0.010 2 1157 91 91 ASP C C 177.724 0.002 1 1158 91 91 ASP CA C 56.613 0.034 1 1159 91 91 ASP CB C 41.379 0.043 1 1160 91 91 ASP N N 120.507 0.010 1 1161 92 92 LYS H H 7.555 0.002 1 1162 92 92 LYS HA H 4.565 0.005 1 1163 92 92 LYS HB2 H 1.844 0.002 2 1164 92 92 LYS HB3 H 2.124 0.002 2 1165 92 92 LYS HG2 H 1.571 0.001 2 1166 92 92 LYS HG3 H 1.509 0.003 2 1167 92 92 LYS HD2 H 1.689 0.001 2 1168 92 92 LYS HD3 H 1.600 0.002 2 1169 92 92 LYS HE2 H 3.031 0.001 1 1170 92 92 LYS HE3 H 3.031 0.001 1 1171 92 92 LYS C C 177.816 0.004 1 1172 92 92 LYS CA C 54.684 0.040 1 1173 92 92 LYS CB C 32.283 0.036 1 1174 92 92 LYS CG C 24.787 0.043 1 1175 92 92 LYS CD C 28.500 0.036 1 1176 92 92 LYS CE C 42.461 0.018 1 1177 92 92 LYS N N 116.845 0.005 1 1178 93 93 LYS H H 7.684 0.001 1 1179 93 93 LYS HA H 3.944 0.004 1 1180 93 93 LYS HB2 H 1.877 0.002 1 1181 93 93 LYS HB3 H 1.877 0.002 1 1182 93 93 LYS HG2 H 1.775 0.001 2 1183 93 93 LYS HG3 H 1.387 0.002 2 1184 93 93 LYS HD2 H 1.706 0.001 1 1185 93 93 LYS HD3 H 1.706 0.001 1 1186 93 93 LYS HE2 H 3.175 0.003 2 1187 93 93 LYS HE3 H 3.129 0.003 2 1188 93 93 LYS C C 175.607 0.006 1 1189 93 93 LYS CA C 59.907 0.041 1 1190 93 93 LYS CB C 32.715 0.033 1 1191 93 93 LYS CG C 24.426 0.038 1 1192 93 93 LYS CD C 30.675 0.032 1 1193 93 93 LYS CE C 42.212 0.019 1 1194 93 93 LYS N N 120.351 0.017 1 1195 94 94 GLU H H 8.284 0.002 1 1196 94 94 GLU HA H 4.310 0.003 1 1197 94 94 GLU HB2 H 2.156 0.001 2 1198 94 94 GLU HB3 H 1.967 0.003 2 1199 94 94 GLU HG2 H 2.354 0.001 1 1200 94 94 GLU HG3 H 2.354 0.001 1 1201 94 94 GLU C C 177.577 0.004 1 1202 94 94 GLU CA C 57.761 0.040 1 1203 94 94 GLU CB C 29.230 0.054 1 1204 94 94 GLU CG C 37.070 0.007 1 1205 94 94 GLU N N 114.630 0.006 1 1206 95 95 VAL H H 7.462 0.002 1 1207 95 95 VAL HA H 4.407 0.003 1 1208 95 95 VAL HB H 2.353 0.002 1 1209 95 95 VAL HG1 H 0.986 0.002 2 1210 95 95 VAL HG2 H 0.968 0.002 2 1211 95 95 VAL C C 175.156 0.003 1 1212 95 95 VAL CA C 61.590 0.027 1 1213 95 95 VAL CB C 32.871 0.056 1 1214 95 95 VAL CG1 C 19.785 0.023 2 1215 95 95 VAL CG2 C 21.263 0.019 2 1216 95 95 VAL N N 111.973 0.008 1 1217 96 96 ASN H H 7.684 0.001 1 1218 96 96 ASN HA H 5.348 0.005 1 1219 96 96 ASN HB2 H 2.782 0.004 2 1220 96 96 ASN HB3 H 2.832 0.002 2 1221 96 96 ASN HD21 H 7.898 0.002 2 1222 96 96 ASN HD22 H 7.209 0.003 2 1223 96 96 ASN C C 173.142 0.001 1 1224 96 96 ASN CA C 50.787 0.029 1 1225 96 96 ASN CB C 40.833 0.025 1 1226 96 96 ASN CG C 176.538 0.004 1 1227 96 96 ASN N N 120.325 0.015 1 1228 96 96 ASN ND2 N 114.203 0.023 1 1229 97 97 PRO HA H 4.382 0.007 1 1230 97 97 PRO HB2 H 1.999 0.005 2 1231 97 97 PRO HB3 H 2.439 0.006 2 1232 97 97 PRO HG2 H 2.149 0.002 2 1233 97 97 PRO HG3 H 2.089 0.001 2 1234 97 97 PRO HD2 H 3.952 0.004 1 1235 97 97 PRO HD3 H 3.952 0.004 1 1236 97 97 PRO C C 179.299 0.009 1 1237 97 97 PRO CA C 65.165 0.030 1 1238 97 97 PRO CB C 32.462 0.063 1 1239 97 97 PRO CG C 27.352 0.043 1 1240 97 97 PRO CD C 51.401 0.019 1 1241 97 97 PRO N N 137.580 0.020 1 1242 98 98 GLN H H 8.408 0.001 1 1243 98 98 GLN HA H 4.209 0.003 1 1244 98 98 GLN HB2 H 2.237 0.003 2 1245 98 98 GLN HB3 H 1.909 0.003 2 1246 98 98 GLN HG2 H 2.456 0.004 1 1247 98 98 GLN HG3 H 2.456 0.004 1 1248 98 98 GLN HE21 H 7.533 0.001 2 1249 98 98 GLN HE22 H 6.865 0.001 2 1250 98 98 GLN C C 179.491 0.004 1 1251 98 98 GLN CA C 58.908 0.038 1 1252 98 98 GLN CB C 27.568 0.049 1 1253 98 98 GLN CG C 33.902 0.030 1 1254 98 98 GLN CD C 179.250 0.013 1 1255 98 98 GLN N N 117.713 0.029 1 1256 98 98 GLN NE2 N 111.946 0.007 1 1257 99 99 VAL H H 7.974 0.001 1 1258 99 99 VAL HA H 3.487 0.004 1 1259 99 99 VAL HB H 2.194 0.006 1 1260 99 99 VAL HG1 H 0.911 0.003 2 1261 99 99 VAL HG2 H 0.861 0.002 2 1262 99 99 VAL C C 177.530 0.004 1 1263 99 99 VAL CA C 66.771 0.033 1 1264 99 99 VAL CB C 31.713 0.081 1 1265 99 99 VAL CG1 C 22.947 0.040 2 1266 99 99 VAL CG2 C 22.157 0.047 2 1267 99 99 VAL N N 121.220 0.015 1 1268 100 100 MET H H 8.353 0.003 1 1269 100 100 MET HA H 4.016 0.010 1 1270 100 100 MET HB2 H 2.638 0.003 2 1271 100 100 MET HB3 H 2.560 0.004 2 1272 100 100 MET HG2 H 2.134 0.001 1 1273 100 100 MET HG3 H 2.134 0.001 1 1274 100 100 MET HE H 2.118 0.001 1 1275 100 100 MET C C 178.471 0.004 1 1276 100 100 MET CA C 59.520 0.046 1 1277 100 100 MET CB C 32.042 0.057 1 1278 100 100 MET CG C 32.290 0.003 1 1279 100 100 MET CE C 17.687 0.011 1 1280 100 100 MET N N 119.723 0.013 1 1281 101 101 ALA H H 7.958 0.001 1 1282 101 101 ALA HA H 4.289 0.004 1 1283 101 101 ALA HB H 1.471 0.004 1 1284 101 101 ALA C C 179.798 0.004 1 1285 101 101 ALA CA C 54.956 0.057 1 1286 101 101 ALA CB C 17.865 0.058 1 1287 101 101 ALA N N 119.494 0.016 1 1288 102 102 ALA H H 7.643 0.002 1 1289 102 102 ALA HA H 4.069 0.009 1 1290 102 102 ALA HB H 1.387 0.004 1 1291 102 102 ALA C C 181.246 0.009 1 1292 102 102 ALA CA C 55.293 0.037 1 1293 102 102 ALA CB C 17.707 0.062 1 1294 102 102 ALA N N 119.444 0.011 1 1295 103 103 VAL H H 8.947 0.003 1 1296 103 103 VAL HA H 3.362 0.003 1 1297 103 103 VAL HB H 2.294 0.003 1 1298 103 103 VAL HG1 H 0.939 0.001 2 1299 103 103 VAL HG2 H 0.897 0.001 2 1300 103 103 VAL C C 177.019 0.003 1 1301 103 103 VAL CA C 68.335 0.027 1 1302 103 103 VAL CB C 31.289 0.094 1 1303 103 103 VAL CG1 C 21.921 0.018 2 1304 103 103 VAL CG2 C 23.270 0.028 2 1305 103 103 VAL N N 122.763 0.034 1 1306 104 104 ALA H H 8.495 0.002 1 1307 104 104 ALA HA H 4.236 0.004 1 1308 104 104 ALA HB H 1.560 0.003 1 1309 104 104 ALA C C 181.402 0.008 1 1310 104 104 ALA CA C 55.456 0.025 1 1311 104 104 ALA CB C 17.990 0.055 1 1312 104 104 ALA N N 122.451 0.008 1 1313 105 105 GLN H H 8.470 0.002 1 1314 105 105 GLN HA H 4.132 0.003 1 1315 105 105 GLN HB2 H 2.231 0.001 2 1316 105 105 GLN HB3 H 2.331 0.002 2 1317 105 105 GLN HG2 H 2.551 0.004 2 1318 105 105 GLN HG3 H 2.720 0.002 2 1319 105 105 GLN HE21 H 7.282 0.001 2 1320 105 105 GLN HE22 H 6.523 0.001 2 1321 105 105 GLN C C 178.180 0.010 1 1322 105 105 GLN CA C 58.823 0.037 1 1323 105 105 GLN CB C 29.219 0.038 1 1324 105 105 GLN CG C 34.867 0.022 1 1325 105 105 GLN CD C 179.382 0.011 1 1326 105 105 GLN N N 116.561 0.010 1 1327 105 105 GLN NE2 N 109.372 0.011 1 1328 106 106 THR H H 7.979 0.003 1 1329 106 106 THR HA H 3.405 0.004 1 1330 106 106 THR HB H 4.529 0.004 1 1331 106 106 THR HG1 H 6.089 0.004 1 1332 106 106 THR HG2 H 1.007 0.002 1 1333 106 106 THR C C 175.612 0.009 1 1334 106 106 THR CA C 67.573 0.044 1 1335 106 106 THR CB C 68.920 0.036 1 1336 106 106 THR CG2 C 21.418 0.028 1 1337 106 106 THR N N 116.559 0.021 1 1338 107 107 GLU H H 7.912 0.001 1 1339 107 107 GLU HA H 3.711 0.003 1 1340 107 107 GLU HB2 H 2.263 0.004 2 1341 107 107 GLU HB3 H 1.935 0.003 2 1342 107 107 GLU HG2 H 2.619 0.002 2 1343 107 107 GLU HG3 H 2.291 0.002 2 1344 107 107 GLU C C 178.058 0.005 1 1345 107 107 GLU CA C 60.222 0.042 1 1346 107 107 GLU CB C 29.910 0.046 1 1347 107 107 GLU CG C 37.549 0.045 1 1348 107 107 GLU N N 119.665 0.012 1 1349 108 108 GLU H H 7.868 0.002 1 1350 108 108 GLU HA H 3.894 0.003 1 1351 108 108 GLU HB2 H 2.092 0.003 1 1352 108 108 GLU HB3 H 2.092 0.003 1 1353 108 108 GLU HG2 H 2.331 0.003 2 1354 108 108 GLU HG3 H 2.232 0.003 2 1355 108 108 GLU C C 179.643 0.001 1 1356 108 108 GLU CA C 59.502 0.056 1 1357 108 108 GLU CB C 29.122 0.003 1 1358 108 108 GLU CG C 36.037 0.030 1 1359 108 108 GLU N N 117.369 0.015 1 1360 109 109 ILE H H 7.729 0.003 1 1361 109 109 ILE HA H 3.459 0.006 1 1362 109 109 ILE HB H 1.354 0.005 1 1363 109 109 ILE HG12 H 0.188 0.003 2 1364 109 109 ILE HG13 H 1.553 0.002 2 1365 109 109 ILE HG2 H 0.447 0.001 1 1366 109 109 ILE HD1 H 0.200 0.002 1 1367 109 109 ILE C C 178.949 0.004 1 1368 109 109 ILE CA C 65.121 0.031 1 1369 109 109 ILE CB C 37.982 0.025 1 1370 109 109 ILE CG1 C 29.570 0.038 1 1371 109 109 ILE CG2 C 17.427 0.019 1 1372 109 109 ILE CD1 C 14.198 0.023 1 1373 109 109 ILE N N 119.653 0.012 1 1374 110 110 LEU H H 8.200 0.002 1 1375 110 110 LEU HA H 3.988 0.002 1 1376 110 110 LEU HB2 H 1.815 0.001 2 1377 110 110 LEU HB3 H 1.606 0.002 2 1378 110 110 LEU HG H 1.955 0.002 1 1379 110 110 LEU HD1 H 0.746 0.001 2 1380 110 110 LEU HD2 H 0.637 0.001 2 1381 110 110 LEU C C 179.890 0.012 1 1382 110 110 LEU CA C 57.680 0.018 1 1383 110 110 LEU CB C 40.823 0.031 1 1384 110 110 LEU CG C 25.973 0.013 1 1385 110 110 LEU CD1 C 21.674 0.021 2 1386 110 110 LEU CD2 C 25.977 0.026 2 1387 110 110 LEU N N 118.730 0.020 1 1388 111 111 LYS H H 8.428 0.002 1 1389 111 111 LYS HA H 4.124 0.005 1 1390 111 111 LYS HB2 H 1.836 0.001 2 1391 111 111 LYS HB3 H 1.835 0.001 2 1392 111 111 LYS HG2 H 1.679 0.001 2 1393 111 111 LYS HG3 H 1.386 0.001 2 1394 111 111 LYS HD2 H 1.632 0.001 2 1395 111 111 LYS HD3 H 1.576 0.001 2 1396 111 111 LYS HE2 H 2.897 0.003 1 1397 111 111 LYS HE3 H 2.897 0.003 1 1398 111 111 LYS C C 178.465 0.007 1 1399 111 111 LYS CA C 58.857 0.024 1 1400 111 111 LYS CB C 32.571 0.054 1 1401 111 111 LYS CG C 26.303 0.050 1 1402 111 111 LYS CD C 29.496 0.016 1 1403 111 111 LYS CE C 42.199 0.032 1 1404 111 111 LYS N N 117.943 0.013 1 1405 112 112 SER H H 7.721 0.002 1 1406 112 112 SER HA H 4.329 0.004 1 1407 112 112 SER HB2 H 3.994 0.005 1 1408 112 112 SER HB3 H 3.994 0.005 1 1409 112 112 SER C C 175.380 0.010 1 1410 112 112 SER CA C 60.343 0.030 1 1411 112 112 SER CB C 63.373 0.041 1 1412 112 112 SER N N 114.799 0.010 1 1413 113 113 ASN H H 8.004 0.001 1 1414 113 113 ASN HA H 4.733 0.001 1 1415 113 113 ASN HB2 H 2.885 0.003 2 1416 113 113 ASN HB3 H 2.794 0.004 2 1417 113 113 ASN HD21 H 7.771 0.001 2 1418 113 113 ASN HD22 H 6.961 0.001 2 1419 113 113 ASN C C 175.783 0.009 1 1420 113 113 ASN CA C 54.003 0.059 1 1421 113 113 ASN CB C 38.984 0.069 1 1422 113 113 ASN CG C 176.871 0.009 1 1423 113 113 ASN N N 119.808 0.009 1 1424 113 113 ASN ND2 N 112.315 0.015 1 1425 114 114 SER H H 8.025 0.001 1 1426 114 114 SER HA H 4.446 0.005 1 1427 114 114 SER HB2 H 3.988 0.002 2 1428 114 114 SER HB3 H 3.947 0.003 2 1429 114 114 SER C C 174.972 0.009 1 1430 114 114 SER CA C 59.123 0.050 1 1431 114 114 SER CB C 63.743 0.028 1 1432 114 114 SER N N 115.396 0.004 1 1433 115 115 GLN H H 8.258 0.002 1 1434 115 115 GLN HA H 4.396 0.004 1 1435 115 115 GLN HB2 H 2.178 0.006 2 1436 115 115 GLN HB3 H 2.063 0.001 2 1437 115 115 GLN HG2 H 2.410 0.002 1 1438 115 115 GLN HG3 H 2.410 0.002 1 1439 115 115 GLN HE21 H 7.543 0.003 2 1440 115 115 GLN HE22 H 6.829 0.003 2 1441 115 115 GLN C C 176.488 0.006 1 1442 115 115 GLN CA C 56.336 0.041 1 1443 115 115 GLN CB C 29.012 0.003 1 1444 115 115 GLN CG C 33.890 0.011 1 1445 115 115 GLN CD C 180.455 0.003 1 1446 115 115 GLN N N 121.572 0.007 1 1447 115 115 GLN NE2 N 112.451 0.013 1 1448 116 116 THR H H 8.119 0.001 1 1449 116 116 THR HA H 4.285 0.004 1 1450 116 116 THR HB H 4.225 0.003 1 1451 116 116 THR HG2 H 1.199 0.003 1 1452 116 116 THR C C 174.485 0.005 1 1453 116 116 THR CA C 62.582 0.041 1 1454 116 116 THR CB C 69.705 0.030 1 1455 116 116 THR CG2 C 21.624 0.036 1 1456 116 116 THR N N 114.656 0.005 1 1457 117 117 ASP H H 8.336 0.002 1 1458 117 117 ASP HA H 4.627 0.006 1 1459 117 117 ASP HB2 H 2.760 0.004 2 1460 117 117 ASP HB3 H 2.689 0.005 2 1461 117 117 ASP C C 176.498 0.004 1 1462 117 117 ASP CA C 54.541 0.060 1 1463 117 117 ASP CB C 40.972 0.091 1 1464 117 117 ASP N N 122.510 0.014 1 1465 118 118 LEU H H 8.143 0.001 1 1466 118 118 LEU HA H 4.201 0.004 1 1467 118 118 LEU HB2 H 1.638 0.003 2 1468 118 118 LEU HB3 H 1.556 0.003 2 1469 118 118 LEU HG H 1.622 0.001 1 1470 118 118 LEU HD1 H 0.900 0.002 2 1471 118 118 LEU HD2 H 0.833 0.001 2 1472 118 118 LEU C C 177.920 0.008 1 1473 118 118 LEU CA C 55.926 0.040 1 1474 118 118 LEU CB C 42.226 0.037 1 1475 118 118 LEU CG C 26.934 0.025 1 1476 118 118 LEU CD1 C 25.010 0.057 2 1477 118 118 LEU CD2 C 23.373 0.016 2 1478 118 118 LEU N N 122.099 0.003 1 1479 119 119 GLU H H 8.202 0.002 1 1480 119 119 GLU HA H 4.132 0.004 1 1481 119 119 GLU HB2 H 1.888 0.002 1 1482 119 119 GLU HB3 H 1.888 0.002 1 1483 119 119 GLU HG2 H 2.210 0.003 2 1484 119 119 GLU HG3 H 2.128 0.001 2 1485 119 119 GLU C C 176.546 0.007 1 1486 119 119 GLU CA C 56.974 0.050 1 1487 119 119 GLU CB C 29.973 0.042 1 1488 119 119 GLU CG C 36.184 0.026 1 1489 119 119 GLU N N 119.476 0.009 1 1490 120 120 HIS H H 8.151 0.002 1 1491 120 120 HIS HA H 4.636 0.009 1 1492 120 120 HIS HB2 H 3.166 0.003 1 1493 120 120 HIS HB3 H 3.166 0.003 1 1494 120 120 HIS C C 173.835 0.030 1 1495 120 120 HIS CA C 55.778 0.052 1 1496 120 120 HIS CB C 29.699 0.075 1 1497 120 120 HIS N N 118.057 0.007 1 1498 121 121 HIS H H 8.255 0.004 1 1499 121 121 HIS HA H 4.448 0.004 1 1500 121 121 HIS HB2 H 3.233 0.002 2 1501 121 121 HIS HB3 H 3.101 0.001 2 1502 121 121 HIS C C 179.056 0.030 1 1503 121 121 HIS CA C 57.195 0.020 1 1504 121 121 HIS CB C 30.034 0.034 1 1505 121 121 HIS N N 125.326 0.011 1 stop_ save_