data_25573 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Myristylated Feline Immunodeficiency Virus Matrix Protein ; _BMRB_accession_number 25573 _BMRB_flat_file_name bmr25573.str _Entry_type original _Submission_date 2015-04-15 _Accession_date 2015-04-15 _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 Brown Lola A. . 2 Cox Cassiah . . 3 Button Ryan J. . 4 Baptiste Janae . . 5 Bahlow Kennedy . . 6 Spurrier Vaughn . . 7 Luttge Benjamin G. . 8 Kuo Lillian . . 9 Freed Eric O. . 10 Summers Michael F. . 11 Kyser Jenna . . 12 Summers Holly R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 454 "13C chemical shifts" 321 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-05-26 original BMRB . stop_ _Original_release_date 2015-05-26 save_ ############################# # Citation for this entry # ############################# save_Virology_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the myristylated feline immunodeficiency virus matrix protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25941825 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brown Lola A. . 2 Cox Cassiah . . 3 Baptiste Janae . . 4 Summers Holly R. . 5 Button Ryan J. . 6 Bahlow Kennedy . . 7 Spurrier Vaughn . . 8 Kyser Jenna . . 9 Luttge Benjamin G. . 10 Kuo Lillian . . 11 Freed Eric O. . 12 Summers Michael F. . stop_ _Journal_abbreviation Viruses _Journal_volume 7 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2210 _Page_last 2229 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Myristylated Feline Immunodeficiency Virus Matrix Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Feline Immunodeficiency Virus Matrix Protein' $Feline_Immunodeficiency_Virus_Matrix_Protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Feline_Immunodeficiency_Virus_Matrix_Protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Feline_Immunodeficiency_Virus_Matrix_Protein _Molecular_mass 14729.074 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; XGNGASRDWKMAIKRCSNVA VGVGGKSKKFGEGNFRWAIR MANVSTGREPGDIPETLDQL RLVICDLQERREKFGSSKEI DMAIVTLKVFAVAGLLNMTV STAAAAENMYSQMGLDTRPS MKEAGGKEEGPPQAY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MYR 2 2 GLY 3 3 ASN 4 4 GLY 5 5 ALA 6 6 SER 7 7 ARG 8 8 ASP 9 9 TRP 10 10 LYS 11 11 MET 12 12 ALA 13 13 ILE 14 14 LYS 15 15 ARG 16 16 CYS 17 17 SER 18 18 ASN 19 19 VAL 20 20 ALA 21 21 VAL 22 22 GLY 23 23 VAL 24 24 GLY 25 25 GLY 26 26 LYS 27 27 SER 28 28 LYS 29 29 LYS 30 30 PHE 31 31 GLY 32 32 GLU 33 33 GLY 34 34 ASN 35 35 PHE 36 36 ARG 37 37 TRP 38 38 ALA 39 39 ILE 40 40 ARG 41 41 MET 42 42 ALA 43 43 ASN 44 44 VAL 45 45 SER 46 46 THR 47 47 GLY 48 48 ARG 49 49 GLU 50 50 PRO 51 51 GLY 52 52 ASP 53 53 ILE 54 54 PRO 55 55 GLU 56 56 THR 57 57 LEU 58 58 ASP 59 59 GLN 60 60 LEU 61 61 ARG 62 62 LEU 63 63 VAL 64 64 ILE 65 65 CYS 66 66 ASP 67 67 LEU 68 68 GLN 69 69 GLU 70 70 ARG 71 71 ARG 72 72 GLU 73 73 LYS 74 74 PHE 75 75 GLY 76 76 SER 77 77 SER 78 78 LYS 79 79 GLU 80 80 ILE 81 81 ASP 82 82 MET 83 83 ALA 84 84 ILE 85 85 VAL 86 86 THR 87 87 LEU 88 88 LYS 89 89 VAL 90 90 PHE 91 91 ALA 92 92 VAL 93 93 ALA 94 94 GLY 95 95 LEU 96 96 LEU 97 97 ASN 98 98 MET 99 99 THR 100 100 VAL 101 101 SER 102 102 THR 103 103 ALA 104 104 ALA 105 105 ALA 106 106 ALA 107 107 GLU 108 108 ASN 109 109 MET 110 110 TYR 111 111 SER 112 112 GLN 113 113 MET 114 114 GLY 115 115 LEU 116 116 ASP 117 117 THR 118 118 ARG 119 119 PRO 120 120 SER 121 121 MET 122 122 LYS 123 123 GLU 124 124 ALA 125 125 GLY 126 126 GLY 127 127 LYS 128 128 GLU 129 129 GLU 130 130 GLY 131 131 PRO 132 132 PRO 133 133 GLN 134 134 ALA 135 135 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 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 PDB 2N1R "Nmr Structure Of The Myristylated Feline Immunodeficiency Virus Matrix Protein" 98.52 135 100.00 100.00 2.80e-91 PDB 4IC9 "Crystal Structure Of The Full-length Matrix Subunit (p15) Of The Feline Immunodeficiency Virus (fiv) Gag Polyprotein" 99.26 149 98.51 98.51 1.46e-91 EMBL CAA40317 "GAG [Feline immunodeficiency virus]" 99.26 450 98.51 98.51 1.35e-87 GB AAB59936 "gag protein [Feline immunodeficiency virus]" 99.26 450 98.51 98.51 1.46e-87 REF NP_040972 "gag protein [Feline immunodeficiency virus]" 99.26 450 98.51 98.51 1.46e-87 SP P16087 "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=Capsid protein p24" 99.26 450 98.51 98.51 1.45e-87 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 _Strain _Variant $Feline_Immunodeficiency_Virus_Matrix_Protein 'domestic cat' 9685 Eukaryota Metazoa Felis catus 'Petaluma strain' 'clone 34TF10' 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 $Feline_Immunodeficiency_Virus_Matrix_Protein 'recombinant technology' . Escherichia coli 'BL21(DE3) RIL' pET11/pET17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_90_H2O-15N_labeled _Saveframe_category sample _Sample_type solution _Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 10 mM 'natural abundance' 'ammonium chloride' 1 g/L '[U-99% 15N]' glucose 4 g/L 'natural abundance' 'MYRISTIC ACID' 0.5 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' $Feline_Immunodeficiency_Virus_Matrix_Protein . mM '[U-90% 15N]' stop_ save_ save_D2O-13C _Saveframe_category sample _Sample_type solution _Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 10 mM 'natural abundance' glucose 4 g/L '[U-100% 13C]' 'ammonium chloride' 1 g/L 'natural abundance' 'MYRISTIC ACID' 0.5 mg/mL 'natural abundance' D2O 100 % 'natural abundance' $Feline_Immunodeficiency_Virus_Matrix_Protein . mM '[U-100% 13C]' stop_ save_ save_D2O-13C_1 _Saveframe_category sample _Sample_type solution _Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 10 mM 'natural abundance' glucose 4 g/L '[U-100% 13C]' 'ammonium chloride' 1 g/L 'natural abundance' 'MYRISTIC ACID' 0.5 mg/mL 'natural abundance' D2O 100 % 'natural abundance' $Feline_Immunodeficiency_Virus_Matrix_Protein . mM '[U-100% 13C]' stop_ save_ save_D2O-13C_2 _Saveframe_category sample _Sample_type solution _Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 10 mM 'natural abundance' glucose 4 g/L '[U-100% 13C]' 'ammonium chloride' 1 g/L 'natural abundance' 'MYRISTIC ACID' 0.5 mg/mL 'natural abundance' D2O 100 % 'natural abundance' $Feline_Immunodeficiency_Virus_Matrix_Protein . mM '[U-100% 13C]' stop_ save_ save_90_H2O-15N_labeled_1 _Saveframe_category sample _Sample_type solution _Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 10 mM 'natural abundance' 'ammonium chloride' 1 g/L '[U-99% 15N]' glucose 4 g/L 'natural abundance' 'MYRISTIC ACID' 0.5 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' $Feline_Immunodeficiency_Virus_Matrix_Protein . mM '[U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-1HN_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1HN HSQC' _Sample_label $90_H2O-15N_labeled_1 save_ save_13C-1HN_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1HN HNCA' _Sample_label $90_H2O-15N_labeled save_ save_13C-1HN_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1HN HN(CO)CA' _Sample_label $90_H2O-15N_labeled save_ save_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $90_H2O-15N_labeled save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $90_H2O-15N_labeled save_ save_CARBON-NITROGEN_NOESY_(CNNOE)_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'CARBON-NITROGEN NOESY (CNNOE)' _Sample_label $90_H2O-15N_labeled save_ save_15N_EDITED_3D_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N EDITED 3D NOESY' _Sample_label $90_H2O-15N_labeled_1 save_ save_1H-13C_HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HMQC' _Sample_label $D2O-13C_2 save_ save_CARBON_CARBON_NOSEY_(CCNOE)_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'CARBON CARBON NOSEY (CCNOE)' _Sample_label $D2O-13C_2 save_ save_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label $D2O-13C save_ save_13C-1H_HMQC_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H HMQC NOESY' _Sample_label $D2O-13C save_ ####################### # Sample conditions # ####################### save_standard _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio glucose C 13 'methyl carbons' ppm 54.0 internal indirect . . . 1.0 water H 1 protons ppm 4.7 internal indirect . . . 1.0 '[15N] ammonium chloride' N 15 nitrogen ppm 117.0 internal indirect . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N-1HN HSQC' '13C-1HN HNCA' '13C-1HN HN(CO)CA' CBCANH CBCA(CO)NH 'CARBON-NITROGEN NOESY (CNNOE)' '15N EDITED 3D NOESY' '1H-13C HMQC' 'CARBON CARBON NOSEY (CCNOE)' '1H-1H NOESY' '13C-1H HMQC NOESY' stop_ loop_ _Sample_label $90_H2O-15N_labeled_1 $90_H2O-15N_labeled $D2O-13C_2 $D2O-13C stop_ _Sample_conditions_label $standard _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Feline Immunodeficiency Virus Matrix Protein' _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 GLY HA2 H 3.9470 0.0000 2 2 2 2 GLY CA C 42.1359 0.0000 1 3 3 3 ASN H H 8.5963 0.0000 1 4 3 3 ASN HA H 4.5829 0.0000 1 5 3 3 ASN HB2 H 2.5577 0.0000 2 6 3 3 ASN CA C 51.3914 0.0000 1 7 3 3 ASN CB C 35.7119 0.0000 1 8 3 3 ASN N N 119.3661 0.0000 1 9 4 4 GLY H H 8.0735 0.0000 1 10 4 4 GLY HA2 H 3.9535 0.0000 2 11 4 4 GLY CA C 42.7018 0.0000 1 12 4 4 GLY N N 112.8291 0.0000 1 13 5 5 ALA H H 8.0085 0.0000 1 14 5 5 ALA HA H 4.4031 0.0000 1 15 5 5 ALA CA C 49.6397 0.0000 1 16 5 5 ALA CB C 16.4138 0.0000 1 17 5 5 ALA N N 123.6299 0.0000 1 18 6 6 SER H H 8.2933 0.0000 1 19 6 6 SER HA H 4.2700 0.0000 1 20 6 6 SER HB2 H 3.8558 0.0000 2 21 6 6 SER CA C 56.0231 0.0000 1 22 6 6 SER CB C 60.9364 0.0000 1 23 6 6 SER N N 114.8660 0.0000 1 24 7 7 ARG H H 8.3045 0.0000 1 25 7 7 ARG HB2 H 2.0943 0.0000 2 26 7 7 ARG CA C 59.5063 0.0000 1 27 7 7 ARG CB C 30.4217 0.0000 1 28 7 7 ARG N N 119.2500 0.0000 1 29 8 8 ASP H H 7.9147 0.0000 1 30 8 8 ASP HA H 4.1528 0.0000 1 31 8 8 ASP HB2 H 2.1589 0.0000 2 32 8 8 ASP CA C 56.5536 0.0000 1 33 8 8 ASP CB C 26.5008 0.0000 1 34 8 8 ASP N N 119.6625 0.0000 1 35 9 9 TRP H H 8.2222 0.0000 1 36 9 9 TRP HA H 4.1160 0.0507 1 37 9 9 TRP HB2 H 2.2328 0.0000 2 38 9 9 TRP HB3 H 1.9682 0.0000 2 39 9 9 TRP HD1 H 7.2029 0.0000 1 40 9 9 TRP HE1 H 10.1823 0.0000 1 41 9 9 TRP HZ2 H 7.4069 0.0000 1 42 9 9 TRP CA C 55.9616 0.0000 1 43 9 9 TRP CB C 28.0221 0.0000 1 44 9 9 TRP CD1 C 124.1246 0.0000 1 45 9 9 TRP CZ2 C 112.1025 0.0000 1 46 9 9 TRP N N 121.8607 0.0000 1 47 9 9 TRP NE1 N 128.7089 0.0000 1 48 10 10 LYS H H 8.0034 0.0000 1 49 10 10 LYS HA H 4.2817 0.0000 1 50 10 10 LYS HB2 H 2.1920 0.0000 2 51 10 10 LYS HD2 H 2.3688 0.0000 2 52 10 10 LYS HE2 H 2.9489 0.0000 2 53 10 10 LYS CA C 58.8987 0.0000 1 54 10 10 LYS CB C 28.0392 0.0000 1 55 10 10 LYS CD C 33.6764 0.0000 1 56 10 10 LYS CE C 35.4603 0.0000 1 57 10 10 LYS N N 118.6812 0.0000 1 58 11 11 MET H H 8.0409 0.0000 1 59 11 11 MET HA H 4.5594 0.0000 1 60 11 11 MET CA C 53.4851 0.0000 1 61 11 11 MET N N 119.3661 0.0000 1 62 12 12 ALA H H 7.9041 0.0000 1 63 12 12 ALA HA H 4.2094 0.0000 1 64 12 12 ALA HB H 1.0898 0.0000 1 65 12 12 ALA CA C 59.7987 0.0000 1 66 12 12 ALA CB C 17.7719 0.0000 1 67 12 12 ALA N N 122.6499 0.0000 1 68 13 13 ILE H H 8.3803 0.0000 1 69 13 13 ILE HB H 2.1562 0.0000 1 70 13 13 ILE HG2 H 1.3684 0.0000 1 71 13 13 ILE HD1 H 0.8656 0.0000 1 72 13 13 ILE CA C 64.5783 0.0000 1 73 13 13 ILE CB C 28.9027 0.0000 1 74 13 13 ILE CG2 C 14.7945 0.0000 1 75 13 13 ILE CD1 C 11.0686 0.0000 1 76 13 13 ILE N N 117.3220 0.0000 1 77 15 15 ARG CA C 59.9157 0.0000 1 78 16 16 CYS H H 7.7988 0.0000 1 79 16 16 CYS HA H 4.0449 0.0000 1 80 16 16 CYS HB2 H 1.9452 0.0000 2 81 16 16 CYS CA C 59.7844 0.0000 1 82 16 16 CYS CB C 28.8101 0.0000 1 83 16 16 CYS N N 116.2631 0.0000 1 84 17 17 SER H H 7.8297 0.0000 1 85 17 17 SER HA H 4.9520 0.0000 1 86 17 17 SER HB2 H 4.2318 0.0000 2 87 17 17 SER CA C 58.1714 0.0000 1 88 17 17 SER CB C 60.7400 0.0000 1 89 17 17 SER N N 114.6064 0.0000 1 90 18 18 ASN H H 7.5567 0.0000 1 91 18 18 ASN HA H 5.0076 0.0000 1 92 18 18 ASN HB2 H 3.0523 0.0000 2 93 18 18 ASN HB3 H 2.7381 0.0000 2 94 18 18 ASN CA C 50.4755 0.0000 1 95 18 18 ASN CB C 37.2886 0.0000 1 96 18 18 ASN N N 116.1429 0.0000 1 97 19 19 VAL H H 7.9193 0.0000 1 98 19 19 VAL HA H 3.4993 0.0000 1 99 19 19 VAL HB H 2.5222 0.0000 1 100 19 19 VAL HG1 H 0.8939 0.0000 2 101 19 19 VAL HG2 H 1.2928 0.0000 2 102 19 19 VAL CA C 59.7303 0.0000 1 103 19 19 VAL CB C 29.0422 0.0000 1 104 19 19 VAL CG1 C 17.7311 0.0000 2 105 19 19 VAL CG2 C 19.4589 0.0000 2 106 19 19 VAL N N 121.6161 0.0000 1 107 20 20 ALA H H 8.1499 0.0000 1 108 20 20 ALA HA H 4.7948 0.0000 1 109 20 20 ALA HB H 1.5327 0.0000 1 110 20 20 ALA C C 169.4998 0.0000 1 111 20 20 ALA CA C 49.4151 0.0000 1 112 20 20 ALA CB C 17.7165 0.0000 1 113 20 20 ALA N N 129.1389 0.0000 1 114 21 21 VAL H H 8.3185 0.0000 1 115 21 21 VAL HA H 3.7673 0.0000 1 116 21 21 VAL HB H 1.7227 0.0000 1 117 21 21 VAL HG1 H 1.5254 0.0000 2 118 21 21 VAL HG2 H 1.6152 0.0000 2 119 21 21 VAL CA C 63.5780 0.0000 1 120 21 21 VAL CB C 29.7459 0.0000 1 121 21 21 VAL CG1 C 17.5987 0.0000 2 122 21 21 VAL CG2 C 17.0106 0.0000 2 123 21 21 VAL N N 120.3899 0.0000 1 124 22 22 GLY H H 8.2211 0.0000 1 125 22 22 GLY HA2 H 4.1561 0.0000 2 126 22 22 GLY HA3 H 3.9369 0.0000 2 127 22 22 GLY CA C 41.9681 0.0000 1 128 22 22 GLY N N 108.8837 0.0000 1 129 23 23 VAL H H 8.0034 0.0000 1 130 23 23 VAL HA H 4.2378 0.0000 1 131 23 23 VAL HB H 2.1174 0.0000 1 132 23 23 VAL HG1 H 0.9577 0.0000 1 133 23 23 VAL HG2 H 0.9577 0.0000 1 134 23 23 VAL CA C 59.0882 0.0000 1 135 23 23 VAL CB C 30.4336 0.0000 1 136 23 23 VAL CG1 C 17.6105 0.0000 2 137 23 23 VAL N N 117.4392 0.0000 1 138 24 24 GLY H H 8.7165 0.0000 1 139 24 24 GLY HA2 H 4.1554 0.0000 2 140 24 24 GLY HA3 H 3.9046 0.0000 2 141 24 24 GLY CA C 42.7790 0.0000 1 142 24 24 GLY N N 112.6160 0.0000 1 143 25 25 GLY H H 8.2855 0.0000 1 144 25 25 GLY HA2 H 4.0336 0.0000 2 145 25 25 GLY CA C 42.0004 0.0000 1 146 25 25 GLY N N 108.7526 0.0000 1 147 26 26 LYS HA H 4.3759 0.0000 1 148 26 26 LYS CA C 53.5118 0.0000 1 149 27 27 SER H H 7.8307 0.0000 1 150 27 27 SER HA H 4.9220 0.0000 1 151 27 27 SER HB2 H 3.5169 0.0000 2 152 27 27 SER CA C 56.8763 0.0000 1 153 27 27 SER CB C 64.5775 0.0000 1 154 28 28 LYS H H 8.5887 0.0000 1 155 28 28 LYS HA H 4.1837 0.0000 1 156 28 28 LYS HB2 H 2.2979 0.0000 2 157 28 28 LYS CA C 56.5387 0.0000 1 158 28 28 LYS CB C 33.3661 0.0000 1 159 28 28 LYS CE C 39.3390 0.0000 1 160 28 28 LYS N N 122.9187 0.0000 1 161 29 29 LYS H H 8.4708 0.0000 1 162 29 29 LYS HA H 4.3829 0.0000 1 163 29 29 LYS HB2 H 1.7570 0.0000 2 164 29 29 LYS CA C 53.5351 0.0000 1 165 29 29 LYS CB C 32.0761 0.0000 1 166 29 29 LYS CG C 22.3995 0.0000 1 167 29 29 LYS N N 120.9173 0.0000 1 168 30 30 PHE H H 7.9995 0.0000 1 169 30 30 PHE HA H 3.8578 0.0287 1 170 30 30 PHE HB2 H 3.1337 0.0000 2 171 30 30 PHE HD1 H 7.0430 0.0000 3 172 30 30 PHE HD2 H 7.3431 0.0314 3 173 30 30 PHE CA C 58.1723 0.0000 1 174 30 30 PHE CB C 38.2416 0.0000 1 175 30 30 PHE CD1 C 129.1761 0.0000 2 176 30 30 PHE CD2 C 129.1773 0.0000 2 177 30 30 PHE N N 119.3661 0.0000 1 178 31 31 GLY H H 8.4041 0.0000 1 179 31 31 GLY HA2 H 4.7280 0.0000 2 180 31 31 GLY HA3 H 3.9558 0.0000 2 181 31 31 GLY CA C 40.9364 0.0000 1 182 31 31 GLY N N 106.9909 0.0000 1 183 32 32 GLU H H 9.1680 0.0000 1 184 32 32 GLU HA H 4.1125 0.0000 1 185 32 32 GLU HG2 H 2.3688 0.0000 2 186 32 32 GLU CA C 58.1714 0.0000 1 187 32 32 GLU CB C 27.3062 0.0000 1 188 32 32 GLU CG C 33.5989 0.0000 1 189 32 32 GLU N N 120.4911 0.0000 1 190 33 33 GLY H H 8.6131 0.0000 1 191 33 33 GLY HA2 H 3.9723 0.0000 2 192 33 33 GLY CA C 43.5911 0.0000 1 193 33 33 GLY N N 109.2409 0.0000 1 194 34 34 ASN H H 7.8968 0.0000 1 195 34 34 ASN HA H 4.0379 0.0000 1 196 34 34 ASN HB2 H 2.7321 0.0000 2 197 34 34 ASN HD21 H 7.1654 0.0000 2 198 34 34 ASN HD22 H 6.2751 0.0000 2 199 34 34 ASN CA C 54.4627 0.0000 1 200 34 34 ASN CB C 36.3935 0.0000 1 201 34 34 ASN N N 118.2411 0.0000 1 202 35 35 PHE H H 7.1797 0.0000 1 203 35 35 PHE HA H 4.0879 0.0000 1 204 35 35 PHE HB2 H 2.9094 0.0000 2 205 35 35 PHE HB3 H 2.9337 0.0000 2 206 35 35 PHE HD1 H 7.1698 0.0386 3 207 35 35 PHE HD2 H 7.0513 0.0000 3 208 35 35 PHE CA C 59.3122 0.0000 1 209 35 35 PHE CB C 35.8279 0.0000 1 210 35 35 PHE CD1 C 129.7725 0.0000 2 211 35 35 PHE CD2 C 129.9663 0.0000 2 212 35 35 PHE N N 117.1161 0.0000 1 213 36 36 ARG H H 8.2779 0.0000 1 214 36 36 ARG HA H 3.5720 0.0000 1 215 36 36 ARG HB2 H 2.9581 0.0000 2 216 36 36 ARG HB3 H 2.8450 0.0000 2 217 36 36 ARG HG2 H 1.8627 0.0000 2 218 36 36 ARG CA C 58.2425 0.0000 1 219 36 36 ARG CB C 33.9971 0.0000 1 220 36 36 ARG CG C 26.7080 0.0000 1 221 36 36 ARG N N 117.8253 0.0000 1 222 37 37 TRP H H 8.1056 0.0000 1 223 37 37 TRP HA H 4.1343 0.0000 1 224 37 37 TRP HB2 H 3.4551 0.0000 2 225 37 37 TRP HD1 H 7.3782 0.0000 1 226 37 37 TRP HE1 H 10.3523 0.0000 1 227 37 37 TRP HE3 H 7.7964 0.0000 1 228 37 37 TRP HZ2 H 7.3576 0.0000 1 229 37 37 TRP HH2 H 7.6213 0.0000 1 230 37 37 TRP CA C 58.8999 0.0000 1 231 37 37 TRP CB C 27.4493 0.0000 1 232 37 37 TRP CD1 C 127.6156 0.0000 1 233 37 37 TRP CE3 C 117.9946 0.0000 1 234 37 37 TRP CZ2 C 111.6598 0.0000 1 235 37 37 TRP CH2 C 121.7330 0.0000 1 236 37 37 TRP N N 118.8453 0.0000 1 237 37 37 TRP NE1 N 130.8203 0.0000 1 238 38 38 ALA H H 8.3324 0.0000 1 239 38 38 ALA HA H 4.4291 0.0000 1 240 38 38 ALA HB H 1.6384 0.0000 1 241 38 38 ALA CA C 52.8937 0.0000 1 242 38 38 ALA CB C 16.3995 0.0000 1 243 38 38 ALA N N 119.6085 0.0000 1 244 39 39 ILE H H 8.1609 0.0000 1 245 39 39 ILE HA H 4.3640 0.0000 1 246 39 39 ILE HB H 2.1130 0.0000 1 247 39 39 ILE HG2 H 1.1095 0.0000 1 248 39 39 ILE CA C 55.5841 0.0000 1 249 39 39 ILE CB C 31.4925 0.0000 1 250 39 39 ILE CG2 C 17.3180 0.0000 1 251 39 39 ILE N N 114.8660 0.0000 1 252 40 40 ARG H H 8.4460 0.0000 1 253 40 40 ARG HA H 4.0660 0.0000 1 254 40 40 ARG HB2 H 2.6251 0.0000 2 255 40 40 ARG HB3 H 2.6128 0.0000 2 256 40 40 ARG CA C 56.6391 0.0000 1 257 40 40 ARG CB C 29.8092 0.0000 1 258 40 40 ARG N N 120.2396 0.0000 1 259 41 41 MET HA H 4.3054 0.0000 1 260 41 41 MET HB2 H 1.9690 0.0000 2 261 41 41 MET HE H 1.9311 0.0000 1 262 41 41 MET CA C 53.5851 0.0000 1 263 41 41 MET CB C 29.9017 0.0000 1 264 41 41 MET CE C 17.9328 0.0000 1 265 42 42 ALA H H 8.5555 0.0000 1 266 42 42 ALA HA H 4.5475 0.0000 1 267 42 42 ALA CA C 52.2764 0.0000 1 268 42 42 ALA CB C 16.8604 0.0000 1 269 42 42 ALA N N 122.7818 0.0000 1 270 43 43 ASN H H 8.6134 0.0000 1 271 43 43 ASN HA H 4.6937 0.0000 1 272 43 43 ASN HB2 H 2.9178 0.0000 2 273 43 43 ASN HD21 H 6.7121 0.0000 2 274 43 43 ASN HD22 H 6.3027 0.0000 2 275 43 43 ASN CA C 50.3372 0.0000 1 276 43 43 ASN CB C 35.6911 0.0000 1 277 43 43 ASN N N 119.3661 0.0000 1 278 43 43 ASN ND2 N 108.3975 0.0000 1 279 44 44 VAL H H 8.4638 0.0000 1 280 44 44 VAL HA H 3.8987 0.0000 1 281 44 44 VAL HB H 2.1372 0.0000 1 282 44 44 VAL HG1 H 0.9642 0.0000 2 283 44 44 VAL HG2 H 1.0794 0.0000 2 284 44 44 VAL CA C 63.0943 0.0000 1 285 44 44 VAL CB C 28.9213 0.0000 1 286 44 44 VAL CG1 C 18.5446 0.0000 2 287 44 44 VAL CG2 C 18.7949 0.0000 2 288 44 44 VAL N N 118.4661 0.0000 1 289 45 45 SER H H 7.9631 0.0000 1 290 45 45 SER HA H 4.3277 0.0000 1 291 45 45 SER HB2 H 3.8599 0.0000 2 292 45 45 SER CA C 58.5531 0.0000 1 293 45 45 SER CB C 61.3427 0.0000 1 294 45 45 SER N N 113.7627 0.0000 1 295 46 46 THR H H 7.5599 0.0000 1 296 46 46 THR HA H 4.6017 0.0000 1 297 46 46 THR HB H 4.4969 0.0000 1 298 46 46 THR HG2 H 1.1448 0.0000 1 299 46 46 THR CA C 58.0262 0.0000 1 300 46 46 THR CB C 67.2852 0.0000 1 301 46 46 THR CG2 C 18.6144 0.0000 1 302 46 46 THR N N 106.7287 0.0000 1 303 47 47 GLY H H 7.5388 0.0000 1 304 47 47 GLY HA2 H 4.0610 0.0000 2 305 47 47 GLY HA3 H 3.7855 0.0000 2 306 47 47 GLY CA C 43.8090 0.0000 1 307 47 47 GLY N N 109.3839 0.0000 1 308 48 48 ARG H H 8.2195 0.0000 1 309 48 48 ARG HA H 4.3534 0.0000 1 310 48 48 ARG HG2 H 1.8847 0.0000 2 311 48 48 ARG CA C 52.3390 0.0000 1 312 48 48 ARG CB C 29.7597 0.0000 1 313 48 48 ARG CG C 26.0568 0.0000 1 314 48 48 ARG N N 120.5628 0.0000 1 315 49 49 GLU H H 8.6609 0.0000 1 316 49 49 GLU HA H 4.3224 0.0000 1 317 49 49 GLU HB2 H 1.9813 0.0000 2 318 49 49 GLU HG2 H 2.3365 0.0000 2 319 49 49 GLU CA C 54.1343 0.0000 1 320 49 49 GLU CB C 29.1043 0.0000 1 321 49 49 GLU CG C 33.5989 0.0000 1 322 49 49 GLU N N 122.8740 0.0000 1 323 50 50 PRO HG2 H 2.1266 0.0000 2 324 50 50 PRO HD2 H 3.7735 0.0000 2 325 50 50 PRO CA C 65.8944 0.0000 1 326 50 50 PRO CG C 25.2997 0.0000 1 327 50 50 PRO CD C 47.6249 0.0000 1 328 51 51 GLY H H 8.3677 0.0000 1 329 51 51 GLY HA2 H 3.9655 0.0000 2 330 51 51 GLY HA3 H 3.5673 0.0000 2 331 51 51 GLY CA C 42.0770 0.0000 1 332 51 51 GLY N N 102.8589 0.0000 1 333 52 52 ASP H H 7.2040 0.0000 1 334 52 52 ASP HA H 4.3796 0.0000 1 335 52 52 ASP HB2 H 2.6012 0.0000 2 336 52 52 ASP CA C 51.6808 0.0000 1 337 52 52 ASP CB C 37.8015 0.0000 1 338 52 52 ASP N N 120.4912 0.0000 1 339 53 53 ILE H H 8.2551 0.0000 1 340 53 53 ILE HA H 4.5297 0.0000 1 341 53 53 ILE HB H 1.9645 0.0000 1 342 53 53 ILE HG2 H 0.9235 0.0000 1 343 53 53 ILE HD1 H 0.6730 0.0000 1 344 53 53 ILE CA C 54.1274 0.0000 1 345 53 53 ILE CB C 35.4949 0.0000 1 346 53 53 ILE CG1 C 24.0828 0.0000 1 347 53 53 ILE CG2 C 14.0088 0.0000 1 348 53 53 ILE CD1 C 8.2614 0.0000 1 349 53 53 ILE N N 127.6621 0.0000 1 350 54 54 PRO HA H 4.4861 0.0000 1 351 54 54 PRO HB2 H 2.0735 0.0000 2 352 54 54 PRO CA C 60.1188 0.0000 1 353 54 54 PRO CB C 28.7948 0.0000 1 354 55 55 GLU H H 8.5801 0.0000 1 355 55 55 GLU HA H 4.5060 0.0000 1 356 55 55 GLU HB2 H 2.1753 0.0000 2 357 55 55 GLU HG2 H 2.4354 0.0000 2 358 55 55 GLU CA C 54.2834 0.0000 1 359 55 55 GLU CB C 29.6818 0.0000 1 360 55 55 GLU CG C 34.2570 0.0000 1 361 55 55 GLU N N 117.1164 0.0000 1 362 56 56 THR H H 7.3675 0.0000 1 363 56 56 THR HA H 4.8319 0.0000 1 364 56 56 THR HB H 4.7160 0.0000 1 365 56 56 THR HG2 H 1.2232 0.0000 1 366 56 56 THR CA C 55.3810 0.0000 1 367 56 56 THR CB C 70.7710 0.0000 1 368 56 56 THR CG2 C 19.1552 0.0000 1 369 56 56 THR N N 105.1218 0.0000 1 370 57 57 LEU H H 9.2223 0.0000 1 371 57 57 LEU HA H 4.4316 0.0000 1 372 57 57 LEU HB2 H 1.8684 0.0000 2 373 57 57 LEU HB3 H 1.9975 0.0000 2 374 57 57 LEU HG H 0.9762 0.0000 1 375 57 57 LEU CA C 55.4086 0.0000 1 376 57 57 LEU CB C 37.8609 0.0000 1 377 57 57 LEU CG C 23.3852 0.0000 1 378 57 57 LEU N N 122.5645 0.0000 1 379 58 58 ASP H H 8.5698 0.0000 1 380 58 58 ASP HB2 H 2.6110 0.0000 2 381 58 58 ASP CA C 58.2799 0.0000 1 382 58 58 ASP CB C 37.3572 0.0000 1 383 58 58 ASP N N 119.3661 0.0000 1 384 59 59 GLN H H 7.8228 0.0000 1 385 59 59 GLN HA H 4.0318 0.0000 1 386 59 59 GLN HB2 H 2.2316 0.0000 2 387 59 59 GLN HB3 H 2.2558 0.0000 2 388 59 59 GLN CA C 55.9166 0.0000 1 389 59 59 GLN CB C 26.0740 0.0000 1 390 59 59 GLN N N 118.2411 0.0000 1 391 60 60 LEU H H 8.1871 0.0000 1 392 60 60 LEU HA H 4.0788 0.0000 1 393 60 60 LEU HB2 H 4.1281 0.0000 2 394 60 60 LEU HG H 1.0449 0.0000 1 395 60 60 LEU HD1 H 1.0126 0.0000 2 396 60 60 LEU CA C 55.2707 0.0000 1 397 60 60 LEU CB C 47.6367 0.0000 1 398 60 60 LEU CG C 20.9601 0.0000 1 399 60 60 LEU CD1 C 21.0376 0.0000 2 400 60 60 LEU N N 121.6911 0.0000 1 401 61 61 ARG H H 9.1331 0.0000 1 402 61 61 ARG HA H 4.0655 0.0000 1 403 61 61 ARG HB2 H 2.2397 0.0000 2 404 61 61 ARG CA C 56.1817 0.0000 1 405 61 61 ARG CB C 28.9159 0.0000 1 406 61 61 ARG N N 117.9597 0.0000 1 407 62 62 LEU H H 7.8175 0.0000 1 408 62 62 LEU HA H 4.0259 0.0000 1 409 62 62 LEU HB2 H 1.9804 0.0000 2 410 62 62 LEU HB3 H 1.5604 0.0000 2 411 62 62 LEU HG H 1.0835 0.0000 1 412 62 62 LEU HD1 H 1.1775 0.0000 2 413 62 62 LEU HD2 H 1.1740 0.0000 2 414 62 62 LEU CA C 56.0803 0.0000 1 415 62 62 LEU CB C 38.3636 0.0000 1 416 62 62 LEU CG C 21.3157 0.0000 1 417 62 62 LEU CD1 C 18.6875 0.0000 2 418 62 62 LEU CD2 C 18.7968 0.0000 2 419 62 62 LEU N N 118.4079 0.0000 1 420 63 63 VAL H H 7.3682 0.0000 1 421 63 63 VAL HA H 3.5369 0.0000 1 422 63 63 VAL HB H 2.2936 0.0000 1 423 63 63 VAL HG2 H 0.9965 0.0000 2 424 63 63 VAL CA C 64.5006 0.0000 1 425 63 63 VAL CB C 28.8842 0.0000 1 426 63 63 VAL CG2 C 19.5495 0.0000 2 427 63 63 VAL N N 119.1772 0.0000 1 428 64 64 ILE H H 8.3205 0.0000 1 429 64 64 ILE HA H 3.5405 0.0000 1 430 64 64 ILE HB H 1.8793 0.0000 1 431 64 64 ILE HD1 H 0.6601 0.0000 1 432 64 64 ILE CA C 64.4813 0.0000 1 433 64 64 ILE CB C 34.7123 0.0000 1 434 64 64 ILE CD1 C 10.1770 0.0000 1 435 64 64 ILE N N 119.0681 0.0000 1 436 65 65 CYS H H 9.0760 0.0000 1 437 65 65 CYS HA H 4.3302 0.0000 1 438 65 65 CYS HB2 H 3.0689 0.0000 2 439 65 65 CYS HB3 H 3.0953 0.0000 2 440 65 65 CYS CA C 60.9081 0.0000 1 441 65 65 CYS CB C 23.8917 0.0000 1 442 65 65 CYS N N 119.1311 0.0000 1 443 66 66 ASP H H 8.5120 0.0000 1 444 66 66 ASP HA H 4.3119 0.0000 1 445 66 66 ASP HB2 H 2.7412 0.0000 2 446 66 66 ASP CA C 57.7642 0.0000 1 447 66 66 ASP CB C 38.1849 0.0000 1 448 66 66 ASP N N 120.5365 0.0000 1 449 67 67 LEU H H 8.9709 0.0000 1 450 67 67 LEU HA H 3.9701 0.0000 1 451 67 67 LEU HB2 H 2.6594 0.0000 2 452 67 67 LEU HB3 H 2.3204 0.0000 2 453 67 67 LEU HG H 0.8835 0.0000 1 454 67 67 LEU HD2 H 0.8690 0.0000 2 455 67 67 LEU CA C 56.9857 0.0000 1 456 67 67 LEU CB C 32.7464 0.0000 1 457 67 67 LEU CG C 22.3550 0.0000 1 458 67 67 LEU CD2 C 22.2966 0.0000 2 459 67 67 LEU N N 119.3636 0.0000 1 460 69 69 GLU HA H 4.4289 0.0000 1 461 69 69 GLU CA C 55.7649 0.0000 1 462 69 69 GLU CB C 29.8009 0.0000 1 463 70 70 ARG H H 8.3445 0.0000 1 464 70 70 ARG HA H 4.4858 0.0000 1 465 70 70 ARG HB2 H 1.7970 0.0000 2 466 70 70 ARG CA C 52.5326 0.0000 1 467 70 70 ARG CB C 30.3410 0.0000 1 468 70 70 ARG N N 122.1865 0.0000 1 469 71 71 ARG H H 8.4802 0.0000 1 470 71 71 ARG HA H 2.6236 0.0000 1 471 71 71 ARG CA C 54.1787 0.0000 1 472 71 71 ARG CB C 30.0072 0.0000 1 473 71 71 ARG N N 121.6161 0.0000 1 474 73 73 LYS HA H 4.0716 0.0000 1 475 73 73 LYS HB2 H 1.2052 0.0000 2 476 73 73 LYS CA C 55.9756 0.0000 1 477 73 73 LYS CB C 30.7519 0.0000 1 478 74 74 PHE H H 8.5302 0.0000 1 479 74 74 PHE HA H 4.8223 0.0000 1 480 74 74 PHE HB2 H 3.4601 0.0000 2 481 74 74 PHE HB3 H 2.9904 0.0000 2 482 74 74 PHE HD2 H 7.3605 0.0000 3 483 74 74 PHE CA C 55.1207 0.0000 1 484 74 74 PHE CB C 37.5875 0.0000 1 485 74 74 PHE CD2 C 129.1684 0.0000 2 486 74 74 PHE N N 115.0013 0.0000 1 487 75 75 GLY H H 7.7990 0.0000 1 488 75 75 GLY HA2 H 4.5693 0.0000 2 489 75 75 GLY HA3 H 3.8961 0.0000 2 490 75 75 GLY CA C 42.0035 0.0000 1 491 75 75 GLY N N 110.3660 0.0000 1 492 76 76 SER H H 8.4172 0.0000 1 493 76 76 SER HA H 4.5229 0.0000 1 494 76 76 SER HB2 H 3.8479 0.0000 2 495 76 76 SER HB3 H 3.8474 0.0000 2 496 76 76 SER CA C 54.3607 0.0000 1 497 76 76 SER CB C 61.8872 0.0000 1 498 76 76 SER N N 113.2831 0.0000 1 499 77 77 SER H H 8.4277 0.0000 1 500 77 77 SER HA H 4.5352 0.0000 1 501 77 77 SER HB2 H 4.1359 0.0000 2 502 77 77 SER CA C 53.8326 0.0000 1 503 77 77 SER CB C 63.4878 0.0000 1 504 77 77 SER N N 114.9502 0.0000 1 505 78 78 LYS H H 9.0443 0.0000 1 506 78 78 LYS HA H 4.6755 0.0000 1 507 78 78 LYS HB2 H 1.9202 0.0000 2 508 78 78 LYS CA C 54.1274 0.0000 1 509 78 78 LYS CB C 29.2346 0.0000 1 510 78 78 LYS N N 122.0324 0.0000 1 511 79 79 GLU H H 8.7954 0.0000 1 512 79 79 GLU HA H 4.2915 0.0000 1 513 79 79 GLU HB2 H 2.2125 0.0000 2 514 79 79 GLU HG2 H 2.5589 0.0000 2 515 79 79 GLU CA C 58.1042 0.0000 1 516 79 79 GLU CB C 26.8458 0.0000 1 517 79 79 GLU CG C 35.2063 0.0000 1 518 79 79 GLU N N 118.2320 0.0000 1 519 80 80 ILE H H 7.8919 0.0000 1 520 80 80 ILE HA H 3.7294 0.0000 1 521 80 80 ILE HB H 1.6434 0.0000 1 522 80 80 ILE HG12 H 1.0332 0.0000 2 523 80 80 ILE HG13 H 1.5322 0.0000 2 524 80 80 ILE HG2 H 0.9959 0.0000 1 525 80 80 ILE HD1 H 0.8769 0.0000 1 526 80 80 ILE CA C 62.4659 0.0000 1 527 80 80 ILE CB C 36.1086 0.0000 1 528 80 80 ILE CG1 C 34.5150 0.0000 1 529 80 80 ILE CG2 C 14.8915 0.0000 1 530 80 80 ILE CD1 C 9.1959 0.0000 1 531 80 80 ILE N N 120.4911 0.0000 1 532 81 81 ASP H H 8.4237 0.0000 1 533 81 81 ASP HA H 4.3062 0.0000 1 534 81 81 ASP HB2 H 2.6826 0.0000 2 535 81 81 ASP HB3 H 2.6594 0.0000 2 536 81 81 ASP CA C 55.3742 0.0000 1 537 81 81 ASP CB C 37.3764 0.0000 1 538 81 81 ASP N N 120.4911 0.0000 1 539 82 82 MET H H 8.2153 0.0000 1 540 82 82 MET HA H 4.6097 0.0000 1 541 82 82 MET HB2 H 2.4513 0.0000 2 542 82 82 MET HB3 H 2.4786 0.0000 2 543 82 82 MET CA C 54.4723 0.0000 1 544 82 82 MET CB C 29.5568 0.0000 1 545 82 82 MET N N 118.5880 0.0000 1 546 83 83 ALA H H 10.1653 0.0000 1 547 83 83 ALA HA H 4.0986 0.0000 1 548 83 83 ALA HB H 1.3756 0.0000 1 549 83 83 ALA CA C 53.9084 0.0000 1 550 83 83 ALA CB C 14.8098 0.0000 1 551 83 83 ALA N N 127.5251 0.0000 1 552 84 84 ILE H H 8.4370 0.0000 1 553 84 84 ILE HA H 3.5335 0.0000 1 554 84 84 ILE HB H 2.0075 0.0000 1 555 84 84 ILE HG12 H 1.5688 0.0000 2 556 84 84 ILE HG2 H 0.9319 0.0000 1 557 84 84 ILE HD1 H 0.9021 0.0000 1 558 84 84 ILE CA C 64.3768 0.0000 1 559 84 84 ILE CB C 35.4171 0.0000 1 560 84 84 ILE CG1 C 20.2952 0.0000 1 561 84 84 ILE CG2 C 15.6748 0.0000 1 562 84 84 ILE CD1 C 11.1590 0.0000 1 563 84 84 ILE N N 115.9682 0.0000 1 564 85 85 VAL H H 7.8354 0.0000 1 565 85 85 VAL HA H 4.0448 0.0000 1 566 85 85 VAL HB H 2.2754 0.0000 1 567 85 85 VAL HG1 H 1.1969 0.0000 2 568 85 85 VAL CA C 55.9252 0.0000 1 569 85 85 VAL CB C 29.1850 0.0000 1 570 85 85 VAL CG1 C 18.6100 0.0000 2 571 85 85 VAL N N 117.1059 0.0000 1 572 86 86 THR H H 8.2542 0.0000 1 573 86 86 THR HA H 4.1810 0.0000 1 574 86 86 THR HB H 4.2187 0.0000 1 575 86 86 THR HG2 H 1.0148 0.0000 1 576 86 86 THR CA C 59.6268 0.0000 1 577 86 86 THR CB C 65.8560 0.0000 1 578 86 86 THR CG2 C 20.0399 0.0000 1 579 86 86 THR N N 116.6734 0.0000 1 580 87 87 LEU H H 7.9135 0.0000 1 581 87 87 LEU HA H 4.5818 0.0000 1 582 87 87 LEU HB2 H 2.1244 0.0000 2 583 87 87 LEU HG H 1.1310 0.0000 1 584 87 87 LEU HD1 H 0.9629 0.0000 2 585 87 87 LEU HD2 H 1.1934 0.0000 2 586 87 87 LEU CA C 56.8557 0.0000 1 587 87 87 LEU CB C 31.8250 0.0000 1 588 87 87 LEU CG C 19.5514 0.0000 1 589 87 87 LEU CD1 C 17.3535 0.0000 2 590 87 87 LEU CD2 C 18.5487 0.0000 2 591 87 87 LEU N N 121.4471 0.0000 1 592 88 88 LYS H H 7.9696 0.0000 1 593 88 88 LYS HA H 4.1413 0.0000 1 594 88 88 LYS HB2 H 1.8541 0.0000 2 595 88 88 LYS CA C 56.0696 0.0000 1 596 88 88 LYS CB C 29.8868 0.0000 1 597 88 88 LYS N N 119.5052 0.0000 1 598 89 89 VAL H H 8.0821 0.0000 1 599 89 89 VAL HA H 3.8201 0.0000 1 600 89 89 VAL HG1 H 1.3839 0.0000 1 601 89 89 VAL HG2 H 1.3839 0.0000 1 602 89 89 VAL CA C 56.9558 0.0000 1 603 89 89 VAL CG1 C 16.8099 0.0000 2 604 89 89 VAL CG2 C 19.7977 0.0000 2 605 89 89 VAL N N 119.3661 0.0000 1 606 90 90 PHE H H 8.1036 0.0000 1 607 90 90 PHE HA H 4.4237 0.0000 1 608 90 90 PHE HB2 H 2.9521 0.0000 2 609 90 90 PHE HB3 H 2.8876 0.0000 2 610 90 90 PHE HD2 H 6.2437 0.0000 3 611 90 90 PHE HZ H 7.0411 0.0000 1 612 90 90 PHE CA C 55.1511 0.0000 1 613 90 90 PHE CB C 35.6295 0.0000 1 614 90 90 PHE CD2 C 128.1618 0.0000 2 615 90 90 PHE CZ C 131.6461 0.0000 1 616 90 90 PHE N N 119.3661 0.0000 1 617 91 91 ALA H H 8.1872 0.0000 1 618 91 91 ALA HA H 4.5158 0.0000 1 619 91 91 ALA HB H 1.6423 0.0000 1 620 91 91 ALA CA C 54.4118 0.0000 1 621 91 91 ALA CB C 15.8900 0.0000 1 622 91 91 ALA N N 118.9158 0.0000 1 623 92 92 VAL H H 8.1961 0.0000 1 624 92 92 VAL HA H 3.5870 0.0000 1 625 92 92 VAL HB H 1.9866 0.0000 1 626 92 92 VAL HG1 H 1.2966 0.0000 2 627 92 92 VAL HG2 H 1.2943 0.0000 2 628 92 92 VAL CA C 63.5790 0.0000 1 629 92 92 VAL CB C 30.7920 0.0000 1 630 92 92 VAL CG1 C 19.5049 0.0000 2 631 92 92 VAL CG2 C 19.4757 0.0000 2 632 92 92 VAL N N 113.7410 0.0000 1 633 93 93 ALA H H 8.5637 0.0000 1 634 93 93 ALA HA H 4.6936 0.0000 1 635 93 93 ALA HB H 1.3063 0.0000 1 636 93 93 ALA CA C 50.2811 0.0000 1 637 93 93 ALA CB C 16.7147 0.0000 1 638 93 93 ALA N N 119.3661 0.0000 1 639 94 94 GLY H H 6.9398 0.0000 1 640 94 94 GLY HA2 H 3.7248 0.0000 2 641 94 94 GLY HA3 H 2.8515 0.0000 2 642 94 94 GLY CA C 43.9238 0.0000 1 643 94 94 GLY N N 104.9584 0.0000 1 644 95 95 LEU H H 7.7238 0.0000 1 645 95 95 LEU HA H 4.0051 0.0000 1 646 95 95 LEU HB2 H 1.9495 0.0000 2 647 95 95 LEU HB3 H 1.3709 0.0000 2 648 95 95 LEU HG H 1.2189 0.0000 1 649 95 95 LEU CA C 54.4040 0.0000 1 650 95 95 LEU CB C 38.2246 0.0000 1 651 95 95 LEU CG C 23.3614 0.0000 1 652 95 95 LEU N N 120.6794 0.0000 1 653 96 96 LEU H H 7.7230 0.0000 1 654 96 96 LEU HA H 4.2746 0.0000 1 655 96 96 LEU HB2 H 2.2848 0.0000 2 656 96 96 LEU HB3 H 1.4808 0.0000 2 657 96 96 LEU HG H 1.5286 0.0000 1 658 96 96 LEU HD1 H 0.8656 0.0000 2 659 96 96 LEU HD2 H 0.8108 0.0000 2 660 96 96 LEU CA C 52.2699 0.0000 1 661 96 96 LEU CB C 38.6858 0.0000 1 662 96 96 LEU CG C 24.1872 0.0000 1 663 96 96 LEU CD1 C 19.6123 0.0000 2 664 96 96 LEU CD2 C 23.2752 0.0000 2 665 96 96 LEU N N 115.2615 0.0000 1 666 97 97 ASN H H 6.6936 0.0000 1 667 97 97 ASN HA H 4.2414 0.0000 1 668 97 97 ASN HB2 H 3.1446 0.0000 2 669 97 97 ASN HB3 H 2.2507 0.0000 2 670 97 97 ASN CA C 51.2002 0.0000 1 671 97 97 ASN CB C 34.4448 0.0000 1 672 97 97 ASN N N 112.6724 0.0000 1 673 98 98 MET H H 8.1679 0.0000 1 674 98 98 MET HA H 4.6141 0.0000 1 675 98 98 MET HB2 H 1.7967 0.0000 2 676 98 98 MET HB3 H 2.0123 0.0000 2 677 98 98 MET HG2 H 2.5018 0.0000 2 678 98 98 MET CA C 51.6847 0.0000 1 679 98 98 MET CB C 29.8085 0.0000 1 680 98 98 MET CG C 29.8098 0.0000 1 681 98 98 MET N N 115.9679 0.0000 1 682 99 99 THR H H 8.5616 0.0000 1 683 99 99 THR HA H 4.1840 0.0000 1 684 99 99 THR HB H 4.0598 0.0000 1 685 99 99 THR HG2 H 1.2076 0.0000 1 686 99 99 THR CA C 59.8134 0.0000 1 687 99 99 THR CB C 65.4378 0.0000 1 688 99 99 THR CG2 C 19.1184 0.0000 1 689 99 99 THR N N 118.6834 0.0000 1 690 100 100 VAL H H 8.3915 0.0000 1 691 100 100 VAL HA H 4.1190 0.0000 1 692 100 100 VAL HG2 H 0.9386 0.0000 2 693 100 100 VAL CA C 56.7019 0.0000 1 694 100 100 VAL CG1 C 16.9062 0.0000 2 695 100 100 VAL CG2 C 16.1039 0.0000 2 696 101 101 SER H H 8.0787 0.0000 1 697 101 101 SER HA H 4.6446 0.0000 1 698 101 101 SER HB2 H 4.0107 0.0000 2 699 101 101 SER CA C 56.8524 0.0000 1 700 101 101 SER CB C 61.7389 0.0000 1 701 101 101 SER N N 121.7359 0.0000 1 702 102 102 THR H H 7.2757 0.0000 1 703 102 102 THR HA H 5.4505 0.0000 1 704 102 102 THR HB H 4.6470 0.0000 1 705 102 102 THR HG2 H 1.2973 0.0000 1 706 102 102 THR CA C 56.5215 0.0000 1 707 102 102 THR CB C 71.0072 0.0000 1 708 102 102 THR CG2 C 19.4547 0.0000 1 709 102 102 THR N N 110.1468 0.0000 1 710 103 103 ALA H H 8.4331 0.0000 1 711 103 103 ALA HA H 3.9537 0.0000 1 712 103 103 ALA HB H 1.5951 0.0000 1 713 103 103 ALA CA C 52.2777 0.0000 1 714 103 103 ALA CB C 15.6845 0.0000 1 715 103 103 ALA N N 124.0135 0.0000 1 716 104 104 ALA H H 8.4740 0.0000 1 717 104 104 ALA HA H 4.2858 0.0000 1 718 104 104 ALA HB H 1.6108 0.0000 1 719 104 104 ALA CA C 52.3022 0.0000 1 720 104 104 ALA CB C 16.5200 0.0000 1 721 104 104 ALA N N 119.6493 0.0000 1 722 105 105 ALA H H 8.0501 0.0000 1 723 105 105 ALA HA H 4.2640 0.0000 1 724 105 105 ALA HB H 1.6277 0.0000 1 725 105 105 ALA CA C 52.1982 0.0000 1 726 105 105 ALA CB C 15.7454 0.0000 1 727 105 105 ALA N N 120.5871 0.0000 1 728 106 106 ALA H H 8.0713 0.0000 1 729 106 106 ALA HA H 3.2667 0.0000 1 730 106 106 ALA HB H 1.6197 0.0000 1 731 106 106 ALA CA C 51.5106 0.0000 1 732 106 106 ALA CB C 16.0477 0.0000 1 733 106 106 ALA N N 121.7516 0.0000 1 734 107 107 GLU H H 8.7110 0.0000 1 735 107 107 GLU HA H 3.8593 0.0000 1 736 107 107 GLU HB2 H 2.2212 0.0000 2 737 107 107 GLU HB3 H 2.2246 0.0000 2 738 107 107 GLU HG2 H 2.2418 0.0000 2 739 107 107 GLU CA C 57.3353 0.0000 1 740 107 107 GLU CB C 27.1088 0.0000 1 741 107 107 GLU CG C 34.7341 0.0000 1 742 107 107 GLU N N 119.1332 0.0000 1 743 108 108 ASN H H 8.0450 0.0000 1 744 108 108 ASN HA H 4.6010 0.0000 1 745 108 108 ASN HB2 H 2.9550 0.0000 2 746 108 108 ASN CA C 53.9714 0.0000 1 747 108 108 ASN CB C 35.4524 0.0000 1 748 108 108 ASN N N 118.3058 0.0000 1 749 109 109 MET H H 8.4012 0.0000 1 750 109 109 MET HA H 4.3048 0.0000 1 751 109 109 MET HB2 H 2.1950 0.0000 2 752 109 109 MET HE H 0.8554 0.0000 1 753 109 109 MET CA C 55.6025 0.0000 1 754 109 109 MET CB C 29.7715 0.0000 1 755 109 109 MET CE C 14.7233 0.0000 1 756 109 109 MET N N 120.0379 0.0000 1 757 110 110 TYR H H 8.6514 0.0000 1 758 110 110 TYR HA H 3.6626 0.0000 1 759 110 110 TYR HB2 H 3.4344 0.0482 2 760 110 110 TYR HB3 H 2.9900 0.0000 2 761 110 110 TYR HD2 H 6.9685 0.0000 3 762 110 110 TYR CA C 58.9253 0.0000 1 763 110 110 TYR CB C 35.9259 0.0000 1 764 110 110 TYR CD2 C 130.8964 0.0000 2 765 110 110 TYR CZ C 159.0112 0.0000 1 766 110 110 TYR N N 121.6161 0.0000 1 767 111 111 SER H H 7.3936 0.0000 1 768 111 111 SER HA H 4.5401 0.0000 1 769 111 111 SER HB2 H 4.0637 0.0000 2 770 111 111 SER HB3 H 3.8865 0.0000 2 771 111 111 SER CA C 58.3951 0.0000 1 772 111 111 SER CB C 60.6003 0.0000 1 773 111 111 SER N N 110.6212 0.0000 1 774 112 112 GLN H H 8.7744 0.0000 1 775 112 112 GLN HA H 4.0586 0.0000 1 776 112 112 GLN HB2 H 2.2063 0.0000 2 777 112 112 GLN HG2 H 2.5194 0.0000 2 778 112 112 GLN CA C 56.0830 0.0000 1 779 112 112 GLN CB C 25.6453 0.0000 1 780 112 112 GLN CG C 30.8471 0.0000 1 781 112 112 GLN N N 125.6426 0.0000 1 782 113 113 MET H H 8.0698 0.0000 1 783 113 113 MET HA H 4.2752 0.0000 1 784 113 113 MET HB2 H 2.0485 0.0000 2 785 113 113 MET CA C 53.2465 0.0000 1 786 113 113 MET CB C 31.3651 0.0000 1 787 113 113 MET N N 114.8660 0.0000 1 788 114 114 GLY H H 8.0124 0.0000 1 789 114 114 GLY HA2 H 3.9878 0.0000 2 790 114 114 GLY HA3 H 3.9880 0.0000 2 791 114 114 GLY CA C 42.9597 0.0000 1 792 114 114 GLY N N 107.2523 0.0000 1 793 115 115 LEU H H 7.4465 0.0000 1 794 115 115 LEU HA H 3.8745 0.0000 1 795 115 115 LEU HB2 H 0.4874 0.0000 2 796 115 115 LEU HB3 H 0.2115 0.0000 2 797 115 115 LEU HG H 1.2674 0.0000 1 798 115 115 LEU HD1 H 0.5898 0.0000 2 799 115 115 LEU HD2 H 0.5364 0.0000 2 800 115 115 LEU CA C 53.2090 0.0000 1 801 115 115 LEU CB C 35.4580 0.0000 1 802 115 115 LEU CG C 23.3773 0.0000 1 803 115 115 LEU CD1 C 20.9998 0.0000 2 804 115 115 LEU CD2 C 18.5217 0.0000 2 805 115 115 LEU N N 114.9389 0.0000 1 806 116 116 ASP H H 8.5179 0.0000 1 807 116 116 ASP HA H 4.6698 0.0000 1 808 116 116 ASP HB2 H 2.7420 0.0000 2 809 116 116 ASP CA C 52.3031 0.0000 1 810 116 116 ASP CB C 37.3193 0.0000 1 811 116 116 ASP N N 116.4230 0.0000 1 812 117 117 THR H H 7.2405 0.0000 1 813 117 117 THR HA H 4.1938 0.0000 1 814 117 117 THR HB H 3.9907 0.0000 1 815 117 117 THR HG2 H 1.1558 0.0000 1 816 117 117 THR CA C 58.9246 0.0000 1 817 117 117 THR CB C 67.3200 0.0000 1 818 117 117 THR CG2 C 18.7191 0.0000 1 819 117 117 THR N N 113.5817 0.0000 1 820 118 118 ARG H H 8.7114 0.0000 1 821 118 118 ARG HA H 4.5655 0.0000 1 822 118 118 ARG CA C 52.3430 0.0000 1 823 118 118 ARG CB C 33.7076 0.0000 1 824 118 118 ARG N N 126.0681 0.0000 1 825 119 119 PRO HA H 2.0782 0.0000 1 826 119 119 PRO CA C 60.0429 0.0000 1 827 120 120 SER H H 8.3852 0.0000 1 828 120 120 SER HA H 4.3852 0.0000 1 829 120 120 SER HB2 H 3.8360 0.0000 2 830 120 120 SER CA C 55.3519 0.0000 1 831 120 120 SER CB C 61.0372 0.0000 1 832 120 120 SER N N 116.2506 0.0000 1 833 121 121 MET H H 8.2973 0.0000 1 834 121 121 MET HA H 4.2887 0.0000 1 835 121 121 MET HB2 H 1.7481 0.0000 2 836 121 121 MET CA C 53.2825 0.0000 1 837 121 121 MET CB C 30.7549 0.0000 1 838 121 121 MET N N 123.1709 0.0000 1 839 122 122 LYS HA H 4.2578 0.0000 1 840 122 122 LYS CA C 53.6693 0.0000 1 841 123 123 GLU H H 8.5052 0.0000 1 842 123 123 GLU CA C 47.9025 0.0000 1 843 123 123 GLU CB C 30.4044 0.0000 1 844 123 123 GLU N N 122.1347 0.0000 1 845 124 124 ALA H H 8.4221 0.0000 1 846 124 124 ALA HA H 4.3309 0.0000 1 847 124 124 ALA CA C 49.8325 0.0000 1 848 124 124 ALA CB C 16.6654 0.0000 1 849 124 124 ALA N N 125.3401 0.0000 1 850 125 125 GLY H H 8.4013 0.0000 1 851 125 125 GLY HA2 H 3.9790 0.0000 2 852 125 125 GLY CA C 42.7407 0.0000 1 853 125 125 GLY N N 108.4260 0.0000 1 854 126 126 GLY H H 8.5153 0.0000 1 855 126 126 GLY HA2 H 4.0202 0.0000 2 856 126 126 GLY CA C 42.2469 0.0000 1 857 126 126 GLY N N 109.7924 0.0000 1 858 127 127 LYS H H 8.2436 0.0000 1 859 127 127 LYS HA H 4.3211 0.0000 1 860 127 127 LYS HB2 H 1.8136 0.0000 2 861 127 127 LYS CA C 53.5437 0.0000 1 862 127 127 LYS CB C 30.3525 0.0000 1 863 127 127 LYS N N 120.3664 0.0000 1 864 128 128 GLU H H 8.5590 0.0000 1 865 128 128 GLU CA C 56.0441 0.0000 1 866 128 128 GLU N N 122.2700 0.0000 1 867 129 129 GLU H H 8.0270 0.0000 1 868 129 129 GLU HB2 H 1.8522 0.0000 2 869 129 129 GLU CA C 56.5358 0.0000 1 870 129 129 GLU CB C 30.1892 0.0000 1 871 129 129 GLU N N 122.2822 0.0000 1 872 130 130 GLY H H 10.1896 0.0000 1 873 130 130 GLY HA2 H 4.0558 0.0000 2 874 130 130 GLY CA C 41.6613 0.0000 1 875 130 130 GLY N N 110.2580 0.0000 1 876 132 132 PRO HA H 4.3789 0.0000 1 877 132 132 PRO HB2 H 2.2768 0.0000 2 878 132 132 PRO CA C 60.4688 0.0000 1 879 132 132 PRO CB C 29.2308 0.0000 1 880 133 133 GLN H H 8.4782 0.0000 1 881 133 133 GLN HA H 4.3195 0.0000 1 882 133 133 GLN CA C 53.2495 0.0000 1 883 133 133 GLN CB C 29.6555 0.0000 1 884 133 133 GLN N N 119.9321 0.0000 1 885 134 134 ALA H H 8.2629 0.0000 1 886 134 134 ALA HA H 4.2493 0.0000 1 887 134 134 ALA CA C 49.6919 0.0000 1 888 134 134 ALA CB C 16.0243 0.0000 1 889 134 134 ALA N N 124.8280 0.0000 1 890 135 135 TYR H H 8.0495 0.0000 1 891 135 135 TYR HA H 4.4677 0.0000 1 892 135 135 TYR HB2 H 2.9108 0.0000 2 893 135 135 TYR CA C 55.1417 0.0000 1 894 135 135 TYR CB C 36.1030 0.0000 1 895 135 135 TYR N N 119.3661 0.0000 1 stop_ save_