data_4519 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HUMAN TRANSLATION INITIATION FACTOR EIF1A ; _BMRB_accession_number 4519 _BMRB_flat_file_name bmr4519.str _Entry_type original _Submission_date 1999-10-20 _Accession_date 1999-12-06 _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 Battiste J. L. . 2 Pestova T. V. . 3 Hellen C. U.T. . 4 Wagner G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 721 "13C chemical shifts" 515 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-07-12 original author . stop_ _Original_release_date 2000-07-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The eIF1A solution structure reveals a large RNA-binding surface important for scanning function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20142663 _PubMed_ID 10678173 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Battiste J. L. . 2 Pestova T. V. . 3 Hellen C. U.T. . 4 Wagner G. . . stop_ _Journal_abbreviation 'Mol Cell' _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 109 _Page_last 119 _Year 2000 _Details . loop_ _Keyword OB-fold beta-barrel 'RNA-binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_EIF_1A _Saveframe_category molecular_system _Mol_system_name 'Translation initiation factor 1A' _Abbreviation_common 'EIF 1A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EIF1A $EIF_1A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EIF_1A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Translation initiation factor 1A' _Abbreviation_common EIF1A _Molecular_mass . _Mol_thiol_state 'not reported' _Details 'The protein has an N-terminal His tag.' ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; MRGSHHHHHHTDPMPKNKGK GGKNRRRGKNENESEKRELV FKEDGQEYAQVIKMLGNGRL EAMCFDGVKRLCHIRGKLRK KVWINTSDIILVGLRDYQDN KADVILKYNADEARSLKAYG ELPEHAKINETDTFGPGDDD EIQFDDIGDDDEDIDDI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 THR 12 ASP 13 PRO 14 MET 15 PRO 16 LYS 17 ASN 18 LYS 19 GLY 20 LYS 21 GLY 22 GLY 23 LYS 24 ASN 25 ARG 26 ARG 27 ARG 28 GLY 29 LYS 30 ASN 31 GLU 32 ASN 33 GLU 34 SER 35 GLU 36 LYS 37 ARG 38 GLU 39 LEU 40 VAL 41 PHE 42 LYS 43 GLU 44 ASP 45 GLY 46 GLN 47 GLU 48 TYR 49 ALA 50 GLN 51 VAL 52 ILE 53 LYS 54 MET 55 LEU 56 GLY 57 ASN 58 GLY 59 ARG 60 LEU 61 GLU 62 ALA 63 MET 64 CYS 65 PHE 66 ASP 67 GLY 68 VAL 69 LYS 70 ARG 71 LEU 72 CYS 73 HIS 74 ILE 75 ARG 76 GLY 77 LYS 78 LEU 79 ARG 80 LYS 81 LYS 82 VAL 83 TRP 84 ILE 85 ASN 86 THR 87 SER 88 ASP 89 ILE 90 ILE 91 LEU 92 VAL 93 GLY 94 LEU 95 ARG 96 ASP 97 TYR 98 GLN 99 ASP 100 ASN 101 LYS 102 ALA 103 ASP 104 VAL 105 ILE 106 LEU 107 LYS 108 TYR 109 ASN 110 ALA 111 ASP 112 GLU 113 ALA 114 ARG 115 SER 116 LEU 117 LYS 118 ALA 119 TYR 120 GLY 121 GLU 122 LEU 123 PRO 124 GLU 125 HIS 126 ALA 127 LYS 128 ILE 129 ASN 130 GLU 131 THR 132 ASP 133 THR 134 PHE 135 GLY 136 PRO 137 GLY 138 ASP 139 ASP 140 ASP 141 GLU 142 ILE 143 GLN 144 PHE 145 ASP 146 ASP 147 ILE 148 GLY 149 ASP 150 ASP 151 ASP 152 GLU 153 ASP 154 ILE 155 ASP 156 ASP 157 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1D7Q "Human Translation Initiation Factor Eif1a" 91.08 143 100.00 100.00 5.95e-97 PDB 3ZJY "Crystal Structure Of Importin 13 - Rangtp - Eif1a Complex" 71.34 112 100.00 100.00 6.89e-74 PDB 4KZY "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." 91.72 144 100.00 100.00 4.01e-98 PDB 4KZZ "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" 91.72 144 100.00 100.00 4.01e-98 DBJ BAB23869 "unnamed protein product [Mus musculus]" 91.72 144 99.31 99.31 6.86e-97 DBJ BAB24942 "unnamed protein product [Mus musculus]" 91.72 144 100.00 100.00 4.01e-98 DBJ BAB26034 "unnamed protein product [Mus musculus]" 91.72 144 98.61 100.00 1.79e-97 DBJ BAB28110 "unnamed protein product [Mus musculus]" 91.72 144 100.00 100.00 4.01e-98 DBJ BAB28428 "unnamed protein product [Mus musculus]" 91.72 144 100.00 100.00 4.01e-98 EMBL CAG32501 "hypothetical protein RCJMB04_27j6 [Gallus gallus]" 91.72 144 99.31 100.00 1.32e-97 EMBL CAH91368 "hypothetical protein [Pongo abelii]" 91.72 144 100.00 100.00 4.01e-98 EMBL CAJ18543 "Eif1a [Mus musculus]" 91.72 144 98.61 100.00 1.79e-97 EMBL CAJ82618 "eukaryotic translation initiaion factor 1a [Xenopus (Silurana) tropicalis]" 91.72 144 100.00 100.00 4.01e-98 EMBL CDQ69064 "unnamed protein product [Oncorhynchus mykiss]" 91.72 144 97.22 99.31 1.44e-95 GB AAA19812 "protein synthesis factor [Homo sapiens]" 91.72 144 100.00 100.00 4.01e-98 GB AAC51834 "eIF-1A, Y isoform [Homo sapiens]" 91.72 144 98.61 99.31 1.98e-96 GB AAC63934 "eIF-1A [Mus musculus]" 91.72 144 98.61 100.00 1.79e-97 GB AAH00793 "Eukaryotic translation initiation factor 1A, X-linked [Homo sapiens]" 91.72 144 100.00 100.00 4.01e-98 GB AAH05248 "Eukaryotic translation initiation factor 1A, Y-linked [Homo sapiens]" 91.72 144 99.31 100.00 1.32e-97 REF NP_001004814 "eukaryotic translation initiation factor 1A, X-chromosomal [Xenopus (Silurana) tropicalis]" 91.72 144 100.00 100.00 4.01e-98 REF NP_001008773 "eukaryotic translation initiation factor 1A [Rattus norvegicus]" 91.72 144 97.92 99.31 2.43e-96 REF NP_001008977 "eukaryotic translation initiation factor 1A, Y-chromosomal [Pan troglodytes]" 91.72 144 98.61 100.00 2.18e-97 REF NP_001020500 "eukaryotic translation initiation factor 1A, X-chromosomal [Bos taurus]" 91.72 144 99.31 100.00 1.01e-97 REF NP_001020624 "eukaryotic translation initiation factor 1A, X-chromosomal [Danio rerio]" 91.72 144 99.31 100.00 7.15e-98 SP O14602 "RecName: Full=Eukaryotic translation initiation factor 1A, Y-chromosomal; Short=eIF-1A Y isoform; AltName: Full=Eukaryotic tran" 91.72 144 99.31 100.00 1.32e-97 SP P47813 "RecName: Full=Eukaryotic translation initiation factor 1A, X-chromosomal; Short=eIF-1A X isoform; AltName: Full=Eukaryotic tran" 91.72 144 100.00 100.00 4.01e-98 SP P47814 "RecName: Full=Eukaryotic translation initiation factor 1A; Short=EIF-1A; AltName: Full=Eukaryotic translation initiation factor" 91.72 144 97.92 98.61 6.52e-95 SP Q5RA42 "RecName: Full=Eukaryotic translation initiation factor 1A, X-chromosomal; Short=eIF-1A X isoform; AltName: Full=Eukaryotic tran" 91.72 144 100.00 100.00 4.01e-98 SP Q60872 "RecName: Full=Eukaryotic translation initiation factor 1A; Short=eIF-1A; AltName: Full=Eukaryotic translation initiation factor" 91.72 144 98.61 100.00 1.79e-97 TPG DAA12633 "TPA: eukaryotic translation initiation factor 1A, X-linked [Bos taurus]" 91.72 144 100.00 100.00 4.01e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EIF_1A Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $EIF_1A 'recombinant technology' 'E. coli' Escherichia coli . pQE31 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EIF_1A 0.8 mM '[U-13C; U-15N]' 'phosphate buffer' 10 mM . NaCl 500 mM . DTT 1 mM . EDTA 0.1 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EIF_1A 0.5 mM [U-15N] 'phosphate buffer' 10 mM . NaCl 500 mM . DTT 1 mM . EDTA 0.1 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EIF_1A 1.2 mM . 'phosphate buffer' 10 mM . NaCl 500 mM . DTT 1 mM . EDTA 0.1 mM . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EIF_1A 0.4 mM [U-15N]-Lys 'phosphate buffer' 10 mM . NaCl 500 mM . DTT 1 mM . EDTA 0.1 mM . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Task Collection stop_ _Details VARIAN save_ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task Processing stop_ _Details BIOSYM save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.2 loop_ _Task 'Data analysis' stop_ _Details 'C. BARTELS, T. XIA, M. BILLETER, P. GUNTERT, AND K. WUTHRICH' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Task 'Structure solution' stop_ _Details 'A.T. BRUNGER' save_ save_TALOS _Saveframe_category software _Name TALOS _Version 1.0 loop_ _Task 'Data analysis' stop_ _Details 'G. CORNILESCU, F. DELAGLIO, AND A. BAX' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . n/a temperature 298 . K 'ionic strength' 500 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_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 . H 1 . . . . . . . . . C 13 . . . . . . . . . N 15 . . . . . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' '2D NOESY' stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_ref_1 _Mol_system_component_name EIF1A _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 ARG CA C 56.809 0.000 1 2 . 2 ARG CB C 31.086 0.000 1 3 . 2 ARG C C 176.727 0.000 1 4 . 3 GLY N N 110.762 0.034 1 5 . 3 GLY H H 8.613 0.007 1 6 . 3 GLY CA C 45.122 0.189 1 7 . 3 GLY HA2 H 4.010 0.000 1 8 . 3 GLY HA3 H 4.010 0.000 1 9 . 3 GLY C C 174.247 0.000 1 10 . 4 SER N N 115.132 0.052 1 11 . 4 SER H H 8.239 0.013 1 12 . 4 SER CA C 58.440 0.274 1 13 . 4 SER HA H 4.428 0.015 1 14 . 4 SER HB2 H 3.839 0.000 1 15 . 4 SER HB3 H 3.839 0.000 1 16 . 4 SER C C 174.546 0.000 1 17 . 10 HIS CA C 56.768 0.000 1 18 . 10 HIS CB C 30.816 0.189 1 19 . 10 HIS HB2 H 3.133 0.000 1 20 . 10 HIS HB3 H 3.133 0.000 1 21 . 10 HIS C C 175.444 0.000 1 22 . 11 THR N N 115.155 0.027 1 23 . 11 THR H H 8.033 0.004 1 24 . 11 THR CA C 61.479 0.139 1 25 . 11 THR HA H 4.354 0.070 1 26 . 11 THR CB C 69.957 0.136 1 27 . 11 THR HB H 4.180 0.018 1 28 . 11 THR HG2 H 1.171 0.019 1 29 . 11 THR CG2 C 21.554 0.000 1 30 . 11 THR C C 174.044 0.010 1 31 . 12 ASP N N 124.691 0.044 1 32 . 12 ASP H H 8.376 0.015 1 33 . 12 ASP CA C 52.614 0.068 1 34 . 12 ASP HA H 4.872 0.019 1 35 . 12 ASP CB C 41.256 0.000 1 36 . 12 ASP HB2 H 2.765 0.000 2 37 . 12 ASP HB3 H 2.558 0.000 2 38 . 12 ASP C C 174.460 0.000 1 39 . 13 PRO CD C 50.621 0.014 1 40 . 13 PRO CA C 63.139 0.156 1 41 . 13 PRO HA H 4.447 0.009 1 42 . 13 PRO HG2 H 2.032 0.000 1 43 . 13 PRO HG3 H 2.032 0.000 1 44 . 13 PRO HD2 H 3.858 0.004 2 45 . 13 PRO HD3 H 3.781 0.003 2 46 . 14 MET N N 121.594 0.202 1 47 . 14 MET H H 8.420 0.018 1 48 . 14 MET CA C 53.026 0.000 1 49 . 14 MET HA H 4.759 0.004 1 50 . 14 MET C C 174.348 0.000 1 51 . 15 PRO CD C 50.790 0.085 1 52 . 15 PRO CA C 63.264 0.072 1 53 . 15 PRO HA H 4.435 0.017 1 54 . 15 PRO HB2 H 2.319 0.000 2 55 . 15 PRO HB3 H 1.932 0.000 2 56 . 15 PRO HG2 H 2.036 0.018 1 57 . 15 PRO HG3 H 2.036 0.018 1 58 . 15 PRO HD2 H 3.843 0.012 2 59 . 15 PRO HD3 H 3.680 0.008 2 60 . 20 LYS CA C 56.544 0.264 1 61 . 20 LYS CB C 32.930 0.101 1 62 . 20 LYS CG C 24.663 0.000 1 63 . 20 LYS CD C 28.883 0.000 1 64 . 20 LYS C C 177.280 0.000 1 65 . 21 GLY N N 109.579 0.220 1 66 . 21 GLY H H 8.462 0.026 1 67 . 21 GLY CA C 45.675 0.000 1 68 . 21 GLY HA2 H 3.984 0.048 1 69 . 21 GLY HA3 H 3.984 0.048 1 70 . 21 GLY C C 174.856 0.011 1 71 . 22 GLY CA C 45.071 0.000 1 72 . 22 GLY C C 174.567 0.000 1 73 . 22 GLY N N 108.839 0.202 1 74 . 22 GLY H H 8.283 0.018 1 75 . 27 ARG CA C 56.367 0.000 1 76 . 27 ARG CB C 30.902 0.000 1 77 . 27 ARG CG C 26.957 0.000 1 78 . 27 ARG CD C 43.381 0.000 1 79 . 28 GLY N N 109.983 0.000 1 80 . 28 GLY H H 8.495 0.000 1 81 . 29 LYS CA C 56.757 0.000 1 82 . 29 LYS CB C 33.206 0.128 1 83 . 29 LYS CG C 24.513 0.000 1 84 . 29 LYS CD C 29.015 0.000 1 85 . 29 LYS HE2 H 3.037 0.000 1 86 . 29 LYS HE3 H 3.037 0.000 1 87 . 30 ASN N N 119.519 0.228 1 88 . 30 ASN H H 8.608 0.018 1 89 . 30 ASN CA C 53.489 0.000 1 90 . 30 ASN HA H 4.761 0.008 1 91 . 30 ASN CB C 38.874 0.000 1 92 . 30 ASN C C 175.579 0.006 1 93 . 31 GLU N N 121.521 0.219 1 94 . 31 GLU H H 8.473 0.020 1 95 . 31 GLU CA C 57.328 0.000 1 96 . 31 GLU HA H 4.261 0.025 1 97 . 31 GLU CB C 30.427 0.000 1 98 . 31 GLU HB3 H 2.010 0.010 2 99 . 31 GLU HB2 H 2.110 0.010 2 100 . 31 GLU CG C 36.316 0.000 1 101 . 31 GLU HG2 H 2.294 0.000 1 102 . 31 GLU HG3 H 2.294 0.000 1 103 . 31 GLU C C 176.500 0.004 1 104 . 32 ASN N N 118.836 0.225 1 105 . 32 ASN H H 8.481 0.016 1 106 . 32 ASN CA C 53.694 0.000 1 107 . 32 ASN HA H 4.747 0.006 1 108 . 32 ASN CB C 39.011 0.000 1 109 . 32 ASN HB2 H 2.801 0.024 1 110 . 32 ASN HB3 H 2.801 0.024 1 111 . 32 ASN C C 175.607 0.017 1 112 . 33 GLU N N 121.586 0.202 1 113 . 33 GLU H H 8.363 0.006 1 114 . 33 GLU CA C 57.236 0.000 1 115 . 33 GLU HA H 4.314 0.004 1 116 . 33 GLU CB C 30.427 0.000 1 117 . 33 GLU HB2 H 2.150 0.008 2 118 . 33 GLU HB3 H 2.030 0.008 2 119 . 33 GLU CG C 36.408 0.000 1 120 . 33 GLU HG2 H 2.318 0.000 1 121 . 33 GLU HG3 H 2.318 0.000 1 122 . 33 GLU C C 176.829 0.016 1 123 . 34 SER N N 116.505 0.213 1 124 . 34 SER H H 8.324 0.009 1 125 . 34 SER CA C 59.046 0.000 1 126 . 34 SER HA H 4.453 0.016 1 127 . 34 SER CB C 63.764 0.180 1 128 . 34 SER HB2 H 3.914 0.008 2 129 . 34 SER HB3 H 3.823 0.007 2 130 . 34 SER C C 174.735 0.006 1 131 . 35 GLU N N 122.556 0.229 1 132 . 35 GLU H H 8.362 0.018 1 133 . 35 GLU CA C 56.645 0.000 1 134 . 35 GLU HA H 4.335 0.023 1 135 . 35 GLU CB C 30.518 0.000 1 136 . 35 GLU HB2 H 2.003 0.000 1 137 . 35 GLU HB3 H 2.003 0.000 1 138 . 35 GLU CG C 36.266 0.000 1 139 . 35 GLU HG2 H 2.290 0.013 1 140 . 35 GLU HG3 H 2.290 0.013 1 141 . 35 GLU C C 176.421 0.002 1 142 . 36 LYS N N 122.707 0.215 1 143 . 36 LYS H H 8.259 0.015 1 144 . 36 LYS CA C 55.920 0.081 1 145 . 36 LYS HA H 4.390 0.006 1 146 . 36 LYS CB C 32.986 0.000 1 147 . 36 LYS HB2 H 1.809 0.000 1 148 . 36 LYS HB3 H 1.809 0.000 1 149 . 36 LYS CG C 24.533 0.000 1 150 . 36 LYS HG2 H 1.481 0.000 1 151 . 36 LYS HG3 H 1.481 0.000 1 152 . 36 LYS CD C 28.993 0.000 1 153 . 36 LYS C C 176.270 0.035 1 154 . 37 ARG N N 122.311 0.268 1 155 . 37 ARG H H 8.367 0.003 1 156 . 37 ARG CA C 55.122 0.332 1 157 . 37 ARG HA H 4.450 0.028 1 158 . 37 ARG CB C 31.375 0.000 1 159 . 37 ARG HB2 H 1.911 0.000 1 160 . 37 ARG HB3 H 1.911 0.000 1 161 . 37 ARG CG C 25.918 0.000 1 162 . 37 ARG HG2 H 1.679 0.000 1 163 . 37 ARG HG3 H 1.679 0.000 1 164 . 37 ARG CD C 43.886 0.000 1 165 . 37 ARG HD2 H 3.169 0.000 1 166 . 37 ARG HD3 H 3.169 0.000 1 167 . 37 ARG C C 176.109 0.016 1 168 . 38 GLU N N 123.509 0.216 1 169 . 38 GLU H H 8.543 0.010 1 170 . 38 GLU CA C 56.487 0.000 1 171 . 38 GLU HA H 4.252 0.003 1 172 . 38 GLU CB C 30.599 0.000 1 173 . 38 GLU HB2 H 1.949 0.046 1 174 . 38 GLU HB3 H 1.949 0.046 1 175 . 38 GLU CG C 36.235 0.000 1 176 . 38 GLU HG2 H 2.294 0.015 1 177 . 38 GLU HG3 H 2.294 0.015 1 178 . 38 GLU C C 176.152 0.012 1 179 . 39 LEU N N 125.768 0.185 1 180 . 39 LEU H H 8.266 0.010 1 181 . 39 LEU CA C 55.166 0.163 1 182 . 39 LEU HA H 4.375 0.014 1 183 . 39 LEU CB C 42.458 0.176 1 184 . 39 LEU HB2 H 1.640 0.003 2 185 . 39 LEU HB3 H 1.475 0.001 2 186 . 39 LEU HG H 1.183 0.000 1 187 . 39 LEU CD1 C 23.881 0.013 1 188 . 39 LEU HD1 H 0.963 0.006 1 189 . 39 LEU CD2 C 26.677 0.000 1 190 . 39 LEU HD2 H 0.866 0.017 1 191 . 39 LEU C C 175.762 0.003 1 192 . 40 VAL N N 128.321 0.152 1 193 . 40 VAL H H 8.108 0.007 1 194 . 40 VAL CA C 62.565 0.116 1 195 . 40 VAL HA H 4.000 0.010 1 196 . 40 VAL CB C 33.112 0.040 1 197 . 40 VAL HB H 1.945 0.013 1 198 . 40 VAL HG1 H 0.846 0.004 1 199 . 40 VAL HG2 H 0.928 0.005 1 200 . 40 VAL CG1 C 21.715 0.029 1 201 . 40 VAL CG2 C 21.512 0.049 1 202 . 40 VAL C C 175.475 0.010 1 203 . 41 PHE N N 127.280 0.176 1 204 . 41 PHE H H 8.450 0.011 1 205 . 41 PHE CA C 54.929 0.122 1 206 . 41 PHE HA H 5.152 0.004 1 207 . 41 PHE CB C 40.537 0.000 1 208 . 41 PHE HB2 H 3.183 0.000 2 209 . 41 PHE HB3 H 2.923 0.000 2 210 . 41 PHE HD1 H 7.189 0.004 1 211 . 41 PHE HD2 H 7.189 0.004 1 212 . 41 PHE HE1 H 7.013 0.004 1 213 . 41 PHE HE2 H 7.013 0.004 1 214 . 41 PHE HZ H 6.482 0.003 1 215 . 41 PHE C C 176.754 0.006 1 216 . 42 LYS N N 118.485 0.168 1 217 . 42 LYS H H 8.394 0.016 1 218 . 42 LYS CA C 56.641 0.222 1 219 . 42 LYS HA H 4.165 0.003 1 220 . 42 LYS CB C 33.437 0.000 1 221 . 42 LYS HB2 H 1.320 0.004 2 222 . 42 LYS HB3 H 0.889 0.003 2 223 . 42 LYS CG C 24.138 0.000 1 224 . 42 LYS HG2 H 1.168 0.000 2 225 . 42 LYS HG3 H 0.997 0.000 2 226 . 42 LYS CD C 30.182 0.064 1 227 . 42 LYS HD2 H 1.467 0.000 2 228 . 42 LYS HD3 H 0.979 0.003 2 229 . 42 LYS CE C 42.126 0.000 1 230 . 42 LYS HE2 H 3.227 0.006 2 231 . 42 LYS HE3 H 3.006 0.012 2 232 . 42 LYS C C 175.221 0.012 1 233 . 43 GLU N N 122.921 0.183 1 234 . 43 GLU H H 8.105 0.017 1 235 . 43 GLU CA C 53.684 0.251 1 236 . 43 GLU HA H 4.653 0.010 1 237 . 43 GLU CB C 32.220 0.089 1 238 . 43 GLU HB2 H 2.169 0.008 2 239 . 43 GLU HB3 H 1.651 0.005 2 240 . 43 GLU CG C 36.033 0.000 1 241 . 43 GLU HG2 H 2.361 0.004 2 242 . 43 GLU HG3 H 2.254 0.009 2 243 . 43 GLU C C 176.021 0.000 1 244 . 44 ASP N N 119.264 0.194 1 245 . 44 ASP H H 8.301 0.008 1 246 . 44 ASP CA C 56.335 0.226 1 247 . 44 ASP HA H 4.451 0.018 1 248 . 44 ASP CB C 40.975 0.000 1 249 . 44 ASP HB2 H 2.655 0.023 1 250 . 44 ASP HB3 H 2.655 0.023 1 251 . 44 ASP C C 177.572 0.010 1 252 . 45 GLY N N 111.313 0.165 1 253 . 45 GLY H H 8.879 0.009 1 254 . 45 GLY CA C 45.675 0.000 1 255 . 45 GLY HA2 H 4.280 0.004 2 256 . 45 GLY HA3 H 3.790 0.004 2 257 . 45 GLY C C 173.434 0.000 1 258 . 46 GLN N N 118.386 0.149 1 259 . 46 GLN H H 7.992 0.010 1 260 . 46 GLN CA C 53.051 0.171 1 261 . 46 GLN HA H 5.484 0.014 1 262 . 46 GLN CB C 32.646 0.000 1 263 . 46 GLN HB2 H 2.308 0.000 2 264 . 46 GLN HB3 H 1.861 0.003 2 265 . 46 GLN CG C 39.436 0.000 1 266 . 46 GLN HG2 H 2.205 0.014 1 267 . 46 GLN HG3 H 2.205 0.014 1 268 . 46 GLN NE2 N 109.842 0.057 1 269 . 46 GLN HE21 H 7.385 0.003 2 270 . 46 GLN HE22 H 6.594 0.005 2 271 . 46 GLN C C 174.674 0.021 1 272 . 47 GLU N N 116.794 0.132 1 273 . 47 GLU H H 8.814 0.010 1 274 . 47 GLU CA C 54.259 0.151 1 275 . 47 GLU HA H 4.514 0.015 1 276 . 47 GLU CB C 34.304 0.033 1 277 . 47 GLU HB2 H 1.800 0.000 2 278 . 47 GLU HB3 H 1.747 0.007 2 279 . 47 GLU CG C 36.132 0.000 1 280 . 47 GLU HG2 H 2.907 0.000 2 281 . 47 GLU HG3 H 2.122 0.004 2 282 . 47 GLU C C 174.785 0.000 1 283 . 48 TYR N N 124.019 0.184 1 284 . 48 TYR H H 9.564 0.005 1 285 . 48 TYR CA C 57.408 0.154 1 286 . 48 TYR HA H 5.624 0.024 1 287 . 48 TYR CB C 41.402 0.000 1 288 . 48 TYR HB2 H 3.143 0.000 2 289 . 48 TYR HB3 H 2.900 0.000 2 290 . 48 TYR HD1 H 7.248 0.000 1 291 . 48 TYR HD2 H 7.248 0.000 1 292 . 48 TYR HE1 H 7.128 0.008 1 293 . 48 TYR HE2 H 7.128 0.008 1 294 . 48 TYR C C 177.048 0.016 1 295 . 49 ALA N N 123.801 0.179 1 296 . 49 ALA H H 9.693 0.012 1 297 . 49 ALA CA C 51.003 0.149 1 298 . 49 ALA HA H 5.074 0.015 1 299 . 49 ALA HB H 1.240 0.016 1 300 . 49 ALA CB C 25.555 0.048 1 301 . 49 ALA C C 174.039 0.006 1 302 . 50 GLN N N 119.876 0.170 1 303 . 50 GLN H H 8.514 0.010 1 304 . 50 GLN CA C 53.587 0.228 1 305 . 50 GLN HA H 5.604 0.006 1 306 . 50 GLN HB3 H 1.744 0.004 2 307 . 50 GLN HB2 H 2.230 0.000 2 308 . 50 GLN CG C 33.380 0.000 1 309 . 50 GLN HG2 H 2.126 0.006 1 310 . 50 GLN HG3 H 2.126 0.006 1 311 . 50 GLN NE2 N 112.555 0.000 1 312 . 50 GLN HE21 H 7.848 0.002 2 313 . 50 GLN HE22 H 7.289 0.008 2 314 . 50 GLN C C 175.786 0.001 1 315 . 51 VAL N N 127.398 0.171 1 316 . 51 VAL H H 9.086 0.014 1 317 . 51 VAL CA C 66.009 0.160 1 318 . 51 VAL HA H 3.496 0.027 1 319 . 51 VAL HB H 2.308 0.004 1 320 . 51 VAL CG1 C 22.093 0.037 1 321 . 51 VAL HG1 H 0.840 0.005 1 322 . 51 VAL CG2 C 22.635 0.000 1 323 . 51 VAL HG2 H 1.005 0.000 1 324 . 51 VAL C C 176.909 0.000 1 325 . 52 ILE N N 128.519 0.236 1 326 . 52 ILE H H 9.348 0.008 1 327 . 52 ILE CA C 62.403 0.215 1 328 . 52 ILE HA H 4.402 0.010 1 329 . 52 ILE CB C 39.728 0.125 1 330 . 52 ILE HB H 1.762 0.000 1 331 . 52 ILE HG12 H 1.521 0.018 2 332 . 52 ILE HG13 H 1.116 0.015 2 333 . 52 ILE CG2 C 17.506 0.000 1 334 . 52 ILE HG2 H 0.952 0.009 1 335 . 52 ILE CD1 C 13.473 0.045 1 336 . 52 ILE HD1 H 0.813 0.012 1 337 . 52 ILE C C 175.776 0.011 1 338 . 53 LYS N N 117.355 0.152 1 339 . 53 LYS H H 7.568 0.008 1 340 . 53 LYS CA C 56.145 0.265 1 341 . 53 LYS HA H 4.526 0.006 1 342 . 53 LYS CB C 36.193 0.000 1 343 . 53 LYS HB2 H 1.784 0.015 1 344 . 53 LYS HB3 H 1.784 0.015 1 345 . 53 LYS CG C 24.718 0.000 1 346 . 53 LYS HG2 H 1.295 0.002 1 347 . 53 LYS HG3 H 1.295 0.002 1 348 . 53 LYS CD C 29.251 0.000 1 349 . 53 LYS HD2 H 1.644 0.000 1 350 . 53 LYS HD3 H 1.644 0.000 1 351 . 53 LYS CE C 41.913 0.000 1 352 . 53 LYS HE2 H 2.967 0.000 1 353 . 53 LYS HE3 H 2.967 0.000 1 354 . 53 LYS C C 174.459 0.020 1 355 . 54 MET N N 124.310 0.210 1 356 . 54 MET H H 8.976 0.011 1 357 . 54 MET CA C 53.999 0.247 1 358 . 54 MET HA H 4.749 0.011 1 359 . 54 MET CB C 31.005 0.000 1 360 . 54 MET HB2 H 2.206 0.000 2 361 . 54 MET HB3 H 2.045 0.000 2 362 . 54 MET CG C 31.395 0.000 1 363 . 54 MET HG2 H 2.753 0.000 2 364 . 54 MET HG3 H 2.396 0.000 2 365 . 54 MET CE C 16.106 0.000 1 366 . 54 MET HE H 1.931 0.000 1 367 . 54 MET C C 176.516 0.020 1 368 . 55 LEU N N 122.746 0.184 1 369 . 55 LEU H H 8.032 0.016 1 370 . 55 LEU CA C 54.379 0.324 1 371 . 55 LEU HA H 4.599 0.008 1 372 . 55 LEU CB C 43.289 0.000 1 373 . 55 LEU HB2 H 1.640 0.004 2 374 . 55 LEU HB3 H 1.414 0.000 2 375 . 55 LEU CG C 28.058 0.000 1 376 . 55 LEU CD1 C 26.131 0.000 1 377 . 55 LEU HD1 H 0.782 0.009 1 378 . 55 LEU CD2 C 22.919 0.000 1 379 . 55 LEU HD2 H 0.834 0.009 1 380 . 55 LEU C C 177.454 0.021 1 381 . 56 GLY N N 108.365 0.221 1 382 . 56 GLY H H 8.040 0.013 1 383 . 56 GLY CA C 44.387 0.120 1 384 . 56 GLY HA2 H 4.300 0.008 2 385 . 56 GLY HA3 H 3.940 0.008 2 386 . 57 ASN CA C 54.042 0.153 1 387 . 57 ASN HA H 4.450 0.010 1 388 . 57 ASN CB C 38.126 0.051 1 389 . 57 ASN HB2 H 3.018 0.008 2 390 . 57 ASN HB3 H 2.746 0.006 2 391 . 57 ASN C C 175.743 0.000 1 392 . 58 GLY N N 104.702 0.190 1 393 . 58 GLY H H 8.651 0.017 1 394 . 58 GLY CA C 46.501 0.000 1 395 . 58 GLY HA2 H 4.100 0.005 2 396 . 58 GLY HA3 H 3.780 0.005 2 397 . 58 GLY C C 173.541 0.000 1 398 . 59 ARG N N 117.562 0.172 1 399 . 59 ARG H H 7.356 0.013 1 400 . 59 ARG CA C 54.333 0.101 1 401 . 59 ARG HA H 5.383 0.012 1 402 . 59 ARG CB C 34.308 0.000 1 403 . 59 ARG HB2 H 1.807 0.000 1 404 . 59 ARG HB3 H 1.807 0.000 1 405 . 59 ARG CG C 27.620 0.000 1 406 . 59 ARG HG2 H 1.572 0.000 2 407 . 59 ARG HG3 H 1.390 0.000 2 408 . 59 ARG CD C 43.748 0.000 1 409 . 59 ARG HD2 H 3.190 0.014 2 410 . 59 ARG HD3 H 3.076 0.016 2 411 . 59 ARG C C 175.391 0.010 1 412 . 60 LEU N N 117.683 0.167 1 413 . 60 LEU H H 8.871 0.011 1 414 . 60 LEU CA C 54.314 0.130 1 415 . 60 LEU HA H 4.813 0.006 1 416 . 60 LEU CB C 44.115 0.000 1 417 . 60 LEU HB2 H 2.184 0.001 2 418 . 60 LEU HB3 H 1.811 0.008 2 419 . 60 LEU CG C 25.899 0.000 1 420 . 60 LEU HG H 1.544 0.010 1 421 . 60 LEU CD1 C 27.808 0.000 1 422 . 60 LEU HD1 H 0.700 0.013 1 423 . 60 LEU CD2 C 28.452 0.142 1 424 . 60 LEU HD2 H 0.729 0.006 1 425 . 60 LEU C C 174.229 0.025 1 426 . 61 GLU N N 121.251 0.185 1 427 . 61 GLU H H 9.194 0.008 1 428 . 61 GLU CA C 55.224 0.145 1 429 . 61 GLU HA H 5.037 0.008 1 430 . 61 GLU CB C 33.152 0.029 1 431 . 61 GLU HB2 H 1.924 0.015 1 432 . 61 GLU HB3 H 1.924 0.015 1 433 . 61 GLU CG C 37.484 0.000 1 434 . 61 GLU HG2 H 2.160 0.028 2 435 . 61 GLU HG3 H 2.020 0.001 2 436 . 61 GLU C C 175.533 0.008 1 437 . 62 ALA N N 127.050 0.172 1 438 . 62 ALA H H 9.006 0.010 1 439 . 62 ALA CA C 50.252 0.000 1 440 . 62 ALA HA H 5.042 0.022 1 441 . 62 ALA CB C 23.865 0.020 1 442 . 62 ALA HB H 1.075 0.012 1 443 . 62 ALA C C 174.770 0.016 1 444 . 63 MET N N 122.445 0.147 1 445 . 63 MET H H 8.856 0.008 1 446 . 63 MET CA C 53.425 0.049 1 447 . 63 MET HA H 4.811 0.016 1 448 . 63 MET CB C 32.273 0.000 1 449 . 63 MET HB2 H 2.091 0.004 2 450 . 63 MET HB3 H 2.023 0.008 2 451 . 63 MET CG C 31.900 0.128 1 452 . 63 MET HG2 H 2.660 0.004 2 453 . 63 MET HG3 H 2.597 0.008 2 454 . 63 MET CE C 16.883 0.010 1 455 . 63 MET HE H 1.965 0.007 1 456 . 63 MET C C 175.671 0.008 1 457 . 64 CYS N N 126.893 0.089 1 458 . 64 CYS H H 8.238 0.011 1 459 . 64 CYS CA C 57.418 0.159 1 460 . 64 CYS HA H 5.074 0.012 1 461 . 64 CYS CB C 29.627 0.000 1 462 . 64 CYS HB2 H 3.935 0.010 2 463 . 64 CYS HB3 H 2.592 0.011 2 464 . 64 CYS C C 176.965 0.025 1 465 . 65 PHE N N 120.344 0.167 1 466 . 65 PHE H H 9.088 0.012 1 467 . 65 PHE CA C 62.019 0.210 1 468 . 65 PHE HA H 4.502 0.005 1 469 . 65 PHE CB C 37.374 0.000 1 470 . 65 PHE HB2 H 3.739 0.004 2 471 . 65 PHE HB3 H 3.040 0.006 2 472 . 65 PHE HD1 H 7.256 0.000 1 473 . 65 PHE HD2 H 7.256 0.000 1 474 . 65 PHE HE1 H 7.131 0.014 1 475 . 65 PHE HE2 H 7.131 0.014 1 476 . 65 PHE HZ H 7.110 0.005 1 477 . 65 PHE C C 174.697 0.065 1 478 . 66 ASP N N 116.476 0.153 1 479 . 66 ASP H H 8.313 0.014 1 480 . 66 ASP CA C 53.925 0.249 1 481 . 66 ASP HA H 4.710 0.028 1 482 . 66 ASP CB C 39.354 0.000 1 483 . 66 ASP HB2 H 3.030 0.004 2 484 . 66 ASP HB3 H 2.880 0.004 2 485 . 66 ASP C C 176.777 0.000 1 486 . 67 GLY N N 107.962 0.161 1 487 . 67 GLY H H 8.427 0.007 1 488 . 67 GLY CA C 45.176 0.262 1 489 . 67 GLY HA2 H 4.220 0.007 2 490 . 67 GLY HA3 H 3.710 0.007 2 491 . 67 GLY C C 173.627 0.000 1 492 . 68 VAL N N 121.503 0.168 1 493 . 68 VAL H H 7.056 0.009 1 494 . 68 VAL CA C 61.713 0.238 1 495 . 68 VAL HA H 4.157 0.015 1 496 . 68 VAL CB C 34.389 0.000 1 497 . 68 VAL HB H 1.970 0.022 1 498 . 68 VAL HG1 H 0.829 0.014 1 499 . 68 VAL HG2 H 0.749 0.016 1 500 . 68 VAL CG1 C 20.957 0.064 1 501 . 68 VAL CG2 C 21.391 0.000 1 502 . 68 VAL C C 175.618 0.003 1 503 . 69 LYS N N 130.486 0.197 1 504 . 69 LYS H H 8.706 0.008 1 505 . 69 LYS CA C 56.048 0.125 1 506 . 69 LYS HA H 4.994 0.009 1 507 . 69 LYS CB C 32.869 0.000 1 508 . 69 LYS HB2 H 1.716 0.077 1 509 . 69 LYS HB3 H 1.716 0.077 1 510 . 69 LYS CG C 25.305 0.000 1 511 . 69 LYS HG2 H 1.359 0.009 2 512 . 69 LYS HG3 H 1.211 0.006 2 513 . 69 LYS CD C 29.251 0.000 1 514 . 69 LYS HD2 H 1.656 0.005 1 515 . 69 LYS HD3 H 1.656 0.005 1 516 . 69 LYS CE C 41.729 0.000 1 517 . 69 LYS HE2 H 2.890 0.000 1 518 . 69 LYS HE3 H 2.890 0.000 1 519 . 69 LYS C C 176.387 0.008 1 520 . 70 ARG N N 122.336 0.226 1 521 . 70 ARG H H 8.867 0.012 1 522 . 70 ARG CA C 55.284 0.216 1 523 . 70 ARG HA H 4.922 0.032 1 524 . 70 ARG CB C 34.955 0.000 1 525 . 70 ARG HB2 H 1.666 0.006 1 526 . 70 ARG HB3 H 1.666 0.006 1 527 . 70 ARG CG C 34.600 0.114 1 528 . 70 ARG HG2 H 1.257 0.007 2 529 . 70 ARG HG3 H 0.872 0.015 2 530 . 70 ARG CD C 43.289 0.000 1 531 . 70 ARG HD2 H 2.729 0.014 2 532 . 70 ARG C C 174.470 0.009 1 533 . 71 LEU N N 125.866 0.884 1 534 . 71 LEU H H 8.326 0.015 1 535 . 71 LEU CA C 54.220 0.240 1 536 . 71 LEU HA H 4.779 0.011 1 537 . 71 LEU CB C 42.701 0.010 1 538 . 71 LEU HB2 H 1.733 0.000 2 539 . 71 LEU HB3 H 1.666 0.000 2 540 . 71 LEU HG H 1.552 0.000 1 541 . 71 LEU CD1 C 24.707 0.042 1 542 . 71 LEU HD1 H 0.837 0.007 1 543 . 71 LEU CD2 C 25.290 0.025 1 544 . 71 LEU HD2 H 0.871 0.003 1 545 . 71 LEU C C 176.486 0.027 1 546 . 72 CYS N N 122.405 0.180 1 547 . 72 CYS H H 9.405 0.010 1 548 . 72 CYS CA C 56.098 0.125 1 549 . 72 CYS HA H 5.553 0.006 1 550 . 72 CYS CB C 30.640 0.000 1 551 . 72 CYS HB2 H 2.545 0.026 2 552 . 72 CYS HB3 H 2.212 0.019 2 553 . 72 CYS C C 173.895 0.012 1 554 . 73 HIS N N 121.473 0.184 1 555 . 73 HIS H H 8.598 0.013 1 556 . 73 HIS CA C 55.697 0.157 1 557 . 73 HIS HA H 5.118 0.016 1 558 . 73 HIS CB C 32.128 0.000 1 559 . 73 HIS HB2 H 3.221 0.000 2 560 . 73 HIS HB3 H 3.157 0.000 2 561 . 73 HIS HD2 H 6.906 0.011 1 562 . 73 HIS HE1 H 7.700 0.008 1 563 . 73 HIS C C 174.977 0.000 1 564 . 74 ILE N N 126.382 0.153 1 565 . 74 ILE H H 8.964 0.008 1 566 . 74 ILE CA C 61.433 0.232 1 567 . 74 ILE HA H 4.160 0.019 1 568 . 74 ILE CB C 39.218 0.013 1 569 . 74 ILE HB H 1.658 0.000 1 570 . 74 ILE CG2 C 18.423 0.000 1 571 . 74 ILE HG2 H 0.834 0.000 1 572 . 74 ILE HG12 H 1.450 0.000 1 573 . 74 ILE HG13 H 1.450 0.000 1 574 . 74 ILE CD1 C 14.552 0.000 1 575 . 74 ILE HD1 H 0.741 0.007 1 576 . 74 ILE C C 174.969 0.000 1 577 . 75 ARG N N 127.140 0.215 1 578 . 75 ARG H H 8.700 0.009 1 579 . 75 ARG CA C 55.666 0.241 1 580 . 75 ARG HA H 4.469 0.000 1 581 . 75 ARG CB C 31.815 0.000 1 582 . 75 ARG HB2 H 1.969 0.000 1 583 . 75 ARG HB3 H 1.969 0.000 1 584 . 75 ARG CG C 27.415 0.000 1 585 . 75 ARG HG2 H 1.690 0.000 1 586 . 75 ARG HG3 H 1.690 0.000 1 587 . 75 ARG CD C 43.748 0.000 1 588 . 75 ARG HD2 H 3.240 0.000 2 589 . 75 ARG HD3 H 3.172 0.000 2 590 . 75 ARG C C 177.160 0.005 1 591 . 76 GLY N N 110.075 0.218 1 592 . 76 GLY H H 8.831 0.016 1 593 . 76 GLY CA C 46.580 0.018 1 594 . 76 GLY HA2 H 4.080 0.010 2 595 . 76 GLY HA3 H 3.770 0.012 2 596 . 77 LYS CA C 58.276 0.130 1 597 . 77 LYS HA H 4.128 0.005 1 598 . 77 LYS CB C 32.531 0.161 1 599 . 77 LYS HB2 H 1.853 0.000 1 600 . 77 LYS HB3 H 1.853 0.000 1 601 . 77 LYS HE2 H 3.029 0.000 1 602 . 77 LYS HE3 H 3.029 0.000 1 603 . 77 LYS C C 177.882 0.000 1 604 . 78 LEU N N 119.527 0.176 1 605 . 78 LEU H H 7.718 0.010 1 606 . 78 LEU CA C 56.525 0.192 1 607 . 78 LEU HA H 4.216 0.002 1 608 . 78 LEU CB C 42.280 0.000 1 609 . 78 LEU HB2 H 1.658 0.000 2 610 . 78 LEU HB3 H 1.599 0.000 2 611 . 78 LEU HG H 1.642 0.015 1 612 . 78 LEU CD1 C 24.939 0.055 1 613 . 78 LEU HD1 H 0.878 0.012 1 614 . 78 LEU CD2 C 24.793 0.052 1 615 . 78 LEU HD2 H 0.775 0.000 1 616 . 78 LEU C C 178.070 0.004 1 617 . 79 ARG N N 117.926 0.208 1 618 . 79 ARG H H 7.702 0.006 1 619 . 79 ARG CA C 58.089 0.097 1 620 . 79 ARG HA H 4.033 0.008 1 621 . 79 ARG CB C 30.670 0.000 1 622 . 79 ARG HB2 H 1.896 0.000 2 623 . 79 ARG HB3 H 1.740 0.000 2 624 . 79 ARG CG C 27.415 0.000 1 625 . 79 ARG HG2 H 1.644 0.000 1 626 . 79 ARG HG3 H 1.644 0.000 1 627 . 79 ARG CD C 43.656 0.000 1 628 . 79 ARG HD2 H 3.220 0.000 1 629 . 79 ARG HD3 H 3.220 0.000 1 630 . 79 ARG C C 177.112 0.000 1 631 . 80 LYS N N 115.773 0.205 1 632 . 80 LYS H H 7.753 0.014 1 633 . 80 LYS CA C 56.891 0.212 1 634 . 80 LYS HA H 4.230 0.009 1 635 . 80 LYS CB C 33.096 0.000 1 636 . 80 LYS HB2 H 1.960 0.000 1 637 . 80 LYS HB3 H 1.960 0.000 1 638 . 80 LYS CG C 25.213 0.000 1 639 . 80 LYS HG2 H 1.497 0.001 2 640 . 80 LYS HG3 H 1.445 0.004 2 641 . 80 LYS CD C 28.608 0.000 1 642 . 80 LYS HD2 H 1.738 0.000 1 643 . 80 LYS HD3 H 1.738 0.000 1 644 . 80 LYS HE2 H 2.999 0.000 1 645 . 80 LYS HE3 H 2.999 0.000 1 646 . 80 LYS C C 176.706 0.000 1 647 . 81 LYS N N 117.623 0.205 1 648 . 81 LYS H H 7.775 0.017 1 649 . 81 LYS CA C 56.461 0.234 1 650 . 81 LYS HA H 4.399 0.010 1 651 . 81 LYS CB C 34.297 0.000 1 652 . 81 LYS HB2 H 1.897 0.000 2 653 . 81 LYS HB3 H 1.802 0.001 2 654 . 81 LYS CG C 25.300 0.000 1 655 . 81 LYS HG2 H 1.480 0.000 1 656 . 81 LYS HG3 H 1.480 0.000 1 657 . 81 LYS CD C 28.792 0.000 1 658 . 81 LYS HD2 H 1.676 0.000 1 659 . 81 LYS HD3 H 1.676 0.000 1 660 . 81 LYS CE C 41.700 0.000 1 661 . 81 LYS HE2 H 2.991 0.000 1 662 . 81 LYS HE3 H 2.991 0.000 1 663 . 81 LYS C C 176.000 0.021 1 664 . 82 VAL N N 118.270 0.161 1 665 . 82 VAL H H 7.716 0.010 1 666 . 82 VAL CA C 61.145 0.196 1 667 . 82 VAL HA H 4.346 0.009 1 668 . 82 VAL CB C 34.022 0.000 1 669 . 82 VAL HB H 2.012 0.004 1 670 . 82 VAL CG1 C 21.397 0.010 1 671 . 82 VAL HG1 H 0.884 0.006 1 672 . 82 VAL CG2 C 21.131 0.149 1 673 . 82 VAL HG2 H 0.933 0.007 1 674 . 82 VAL C C 174.012 0.021 1 675 . 83 TRP N N 127.131 0.198 1 676 . 83 TRP H H 8.533 0.009 1 677 . 83 TRP CA C 56.454 0.230 1 678 . 83 TRP HA H 4.771 0.019 1 679 . 83 TRP CB C 29.985 0.000 1 680 . 83 TRP HB2 H 3.206 0.000 2 681 . 83 TRP HB3 H 3.111 0.000 2 682 . 83 TRP NE1 N 129.449 0.000 1 683 . 83 TRP HD1 H 7.154 0.003 1 684 . 83 TRP HE3 H 7.651 0.000 1 685 . 83 TRP HE1 H 10.018 0.007 1 686 . 83 TRP HH2 H 7.220 0.000 1 687 . 83 TRP HZ2 H 7.472 0.000 1 688 . 83 TRP HZ3 H 7.154 0.003 1 689 . 83 TRP C C 174.600 0.011 1 690 . 84 ILE N N 125.202 0.172 1 691 . 84 ILE H H 7.873 0.008 1 692 . 84 ILE CA C 60.378 0.197 1 693 . 84 ILE HA H 4.235 0.009 1 694 . 84 ILE CB C 39.921 0.086 1 695 . 84 ILE HB H 1.474 0.003 1 696 . 84 ILE HG2 H 0.880 0.010 1 697 . 84 ILE CG2 C 19.780 0.009 1 698 . 84 ILE HD1 H 0.615 0.013 1 699 . 84 ILE CD1 C 13.619 0.000 1 700 . 84 ILE C C 173.195 0.017 1 701 . 85 ASN N N 125.416 0.182 1 702 . 85 ASN H H 9.239 0.008 1 703 . 85 ASN CA C 50.927 0.000 1 704 . 85 ASN HA H 5.042 0.014 1 705 . 85 ASN CB C 42.815 0.121 1 706 . 85 ASN HB2 H 2.796 0.005 2 707 . 85 ASN HB3 H 2.462 0.011 2 708 . 85 ASN ND2 N 114.406 0.000 1 709 . 85 ASN HD21 H 7.808 0.001 2 710 . 85 ASN HD22 H 6.855 0.008 2 711 . 85 ASN C C 174.902 0.035 1 712 . 86 THR N N 114.316 0.163 1 713 . 86 THR H H 8.401 0.010 1 714 . 86 THR CA C 65.384 0.000 1 715 . 86 THR HA H 3.432 0.116 1 716 . 86 THR CB C 68.906 0.000 1 717 . 86 THR HB H 4.016 0.007 1 718 . 86 THR HG2 H 1.334 0.009 1 719 . 86 THR CG2 C 22.596 0.164 1 720 . 86 THR C C 174.747 0.034 1 721 . 87 SER N N 116.735 0.190 1 722 . 87 SER H H 8.757 0.197 1 723 . 87 SER CA C 62.209 0.294 1 724 . 87 SER HA H 4.108 0.009 1 725 . 87 SER CB C 62.385 0.102 1 726 . 87 SER HB2 H 4.505 0.016 1 727 . 87 SER HB3 H 4.505 0.016 1 728 . 87 SER C C 174.332 0.000 1 729 . 88 ASP N N 123.688 0.160 1 730 . 88 ASP H H 8.054 0.014 1 731 . 88 ASP CA C 55.944 0.229 1 732 . 88 ASP HA H 4.725 0.000 1 733 . 88 ASP CB C 41.543 0.000 1 734 . 88 ASP HB2 H 2.916 0.003 2 735 . 88 ASP HB3 H 2.552 0.003 2 736 . 88 ASP C C 175.114 0.023 1 737 . 89 ILE N N 122.400 0.180 1 738 . 89 ILE H H 9.547 0.017 1 739 . 89 ILE CA C 58.472 0.000 1 740 . 89 ILE HA H 5.390 0.011 1 741 . 89 ILE CB C 36.355 0.000 1 742 . 89 ILE HB H 2.107 0.004 1 743 . 89 ILE HG12 H 1.616 0.236 2 744 . 89 ILE HG13 H 1.361 0.000 2 745 . 89 ILE HG2 H 1.077 0.010 1 746 . 89 ILE HD1 H 0.873 0.001 1 747 . 89 ILE CG2 C 17.038 0.004 1 748 . 89 ILE CD1 C 9.888 0.000 1 749 . 89 ILE C C 175.562 0.001 1 750 . 90 ILE N N 118.591 0.183 1 751 . 90 ILE H H 9.257 0.015 1 752 . 90 ILE CA C 58.833 0.213 1 753 . 90 ILE HA H 5.283 0.007 1 754 . 90 ILE CB C 42.725 0.047 1 755 . 90 ILE HB H 2.098 0.011 1 756 . 90 ILE HG12 H 1.338 0.008 1 757 . 90 ILE HG13 H 1.338 0.008 1 758 . 90 ILE CG2 C 17.034 0.021 1 759 . 90 ILE HG2 H 0.807 0.010 1 760 . 90 ILE CD1 C 14.863 0.000 1 761 . 90 ILE HD1 H 0.597 0.012 1 762 . 90 ILE C C 173.144 0.012 1 763 . 91 LEU N N 122.605 0.105 1 764 . 91 LEU H H 8.575 0.025 1 765 . 91 LEU CA C 53.536 0.190 1 766 . 91 LEU HA H 5.270 0.008 1 767 . 91 LEU CB C 45.062 0.000 1 768 . 91 LEU HB2 H 1.840 0.000 2 769 . 91 LEU HB3 H 1.780 0.000 2 770 . 91 LEU HG H 1.419 0.000 1 771 . 91 LEU HD1 H 0.830 0.017 1 772 . 91 LEU HD2 H 0.755 0.008 1 773 . 91 LEU CD1 C 23.014 0.118 1 774 . 91 LEU CD2 C 25.320 0.050 1 775 . 91 LEU C C 176.600 0.002 1 776 . 92 VAL N N 119.152 0.187 1 777 . 92 VAL H H 9.340 0.013 1 778 . 92 VAL CA C 58.001 0.171 1 779 . 92 VAL CB C 34.797 0.000 1 780 . 92 VAL HA H 5.478 0.019 1 781 . 92 VAL HB H 2.068 0.075 1 782 . 92 VAL HG1 H 0.825 0.016 1 783 . 92 VAL HG2 H 0.720 0.017 1 784 . 92 VAL CG1 C 22.300 0.090 1 785 . 92 VAL CG2 C 18.593 0.000 1 786 . 92 VAL C C 174.399 0.010 1 787 . 93 GLY N N 109.002 0.137 1 788 . 93 GLY H H 9.760 0.019 1 789 . 93 GLY CA C 44.953 0.000 1 790 . 93 GLY HA2 H 4.745 0.000 2 791 . 93 GLY HA3 H 3.766 0.000 2 792 . 93 GLY C C 173.840 0.000 1 793 . 94 LEU N N 124.942 0.189 1 794 . 94 LEU H H 8.477 0.007 1 795 . 94 LEU CA C 55.210 0.249 1 796 . 94 LEU HA H 4.415 0.007 1 797 . 94 LEU CB C 41.288 0.090 1 798 . 94 LEU HB2 H 1.677 0.000 2 799 . 94 LEU HB3 H 1.592 0.051 2 800 . 94 LEU HG H 1.436 0.000 1 801 . 94 LEU HD1 H 0.776 0.016 1 802 . 94 LEU HD2 H 0.687 0.008 1 803 . 94 LEU CD1 C 25.213 0.000 1 804 . 94 LEU CD2 C 22.320 0.019 1 805 . 94 LEU C C 177.229 0.011 1 806 . 95 ARG N N 120.450 0.174 1 807 . 95 ARG H H 8.685 0.014 1 808 . 95 ARG CA C 55.757 0.000 1 809 . 95 ARG HA H 4.323 0.012 1 810 . 95 ARG C C 176.111 0.000 1 811 . 96 ASP CA C 55.422 1.053 1 812 . 96 ASP HA H 4.459 0.000 1 813 . 96 ASP CB C 41.347 0.076 1 814 . 96 ASP HB2 H 2.580 0.000 1 815 . 96 ASP HB3 H 2.580 0.000 1 816 . 96 ASP C C 176.755 0.000 1 817 . 97 TYR N N 117.848 0.142 1 818 . 97 TYR H H 8.068 0.019 1 819 . 97 TYR CA C 58.290 0.169 1 820 . 97 TYR HA H 4.494 0.000 1 821 . 97 TYR CB C 38.300 0.000 1 822 . 97 TYR HB2 H 3.188 0.008 2 823 . 97 TYR HB3 H 3.103 0.003 2 824 . 97 TYR HD1 H 7.176 0.008 1 825 . 97 TYR HD2 H 7.176 0.008 1 826 . 97 TYR HE1 H 6.809 0.000 1 827 . 97 TYR HE2 H 6.809 0.000 1 828 . 97 TYR C C 176.426 0.002 1 829 . 98 GLN N N 119.900 0.237 1 830 . 98 GLN H H 8.155 0.021 1 831 . 98 GLN CA C 54.918 0.000 1 832 . 98 GLN CB C 41.543 0.000 1 833 . 98 GLN C C 175.476 0.032 1 834 . 99 ASP CA C 54.759 0.247 1 835 . 99 ASP HA H 4.674 0.004 1 836 . 99 ASP CB C 41.523 0.019 1 837 . 99 ASP HB2 H 2.755 0.012 1 838 . 99 ASP HB3 H 2.755 0.012 1 839 . 99 ASP C C 176.064 0.000 1 840 . 100 ASN N N 115.800 0.169 1 841 . 100 ASN H H 8.500 0.017 1 842 . 100 ASN CA C 54.025 0.000 1 843 . 100 ASN HA H 4.750 0.012 1 844 . 100 ASN CB C 37.784 0.000 1 845 . 100 ASN HB2 H 3.105 0.000 2 846 . 100 ASN HB3 H 2.944 0.000 2 847 . 100 ASN ND2 N 112.246 0.020 1 848 . 100 ASN HD21 H 7.570 0.003 2 849 . 100 ASN HD22 H 6.880 0.003 2 850 . 100 ASN C C 174.418 0.000 1 851 . 101 LYS N N 118.946 0.181 1 852 . 101 LYS H H 7.771 0.013 1 853 . 101 LYS CA C 55.126 0.000 1 854 . 101 LYS HA H 5.476 0.001 1 855 . 101 LYS CB C 36.600 0.000 1 856 . 101 LYS HB2 H 1.669 0.011 1 857 . 101 LYS HB3 H 1.669 0.011 1 858 . 101 LYS CG C 25.397 0.000 1 859 . 101 LYS HG2 H 1.517 0.000 2 860 . 101 LYS HG3 H 1.406 0.000 2 861 . 101 LYS CD C 29.342 0.000 1 862 . 101 LYS HD2 H 1.733 0.016 1 863 . 101 LYS HD3 H 1.733 0.016 1 864 . 101 LYS HE2 H 2.971 0.017 1 865 . 101 LYS HE3 H 2.971 0.017 1 866 . 101 LYS C C 175.102 0.000 1 867 . 102 ALA N N 120.237 0.216 1 868 . 102 ALA H H 8.352 0.021 1 869 . 102 ALA CA C 51.238 0.000 1 870 . 102 ALA HA H 4.904 0.014 1 871 . 102 ALA HB H 1.327 0.012 1 872 . 102 ALA CB C 23.700 0.033 1 873 . 102 ALA C C 175.639 0.024 1 874 . 103 ASP N N 119.764 0.172 1 875 . 103 ASP H H 8.941 0.008 1 876 . 103 ASP CA C 53.512 0.270 1 877 . 103 ASP HA H 5.588 0.014 1 878 . 103 ASP CB C 43.840 0.000 1 879 . 103 ASP HB2 H 2.639 0.002 2 880 . 103 ASP HB3 H 2.546 0.008 2 881 . 103 ASP C C 176.275 0.021 1 882 . 104 VAL N N 122.179 0.178 1 883 . 104 VAL H H 8.980 0.017 1 884 . 104 VAL CA C 64.919 0.130 1 885 . 104 VAL HA H 3.879 0.023 1 886 . 104 VAL HB H 1.985 0.000 1 887 . 104 VAL HG1 H 0.758 0.006 1 888 . 104 VAL HG2 H 0.752 0.006 1 889 . 104 VAL CG1 C 21.505 0.063 1 890 . 104 VAL CG2 C 23.231 0.068 1 891 . 104 VAL C C 175.038 0.000 1 892 . 105 ILE N N 127.634 0.111 1 893 . 105 ILE H H 9.283 0.006 1 894 . 105 ILE CA C 62.648 0.167 1 895 . 105 ILE HA H 4.126 0.007 1 896 . 105 ILE CB C 39.030 0.000 1 897 . 105 ILE HB H 1.492 0.003 1 898 . 105 ILE HG2 H 0.869 0.032 1 899 . 105 ILE CG2 C 17.187 0.028 1 900 . 105 ILE HG12 H 1.528 0.016 2 901 . 105 ILE HG13 H 1.156 0.013 2 902 . 105 ILE HD1 H 0.728 0.032 1 903 . 105 ILE CD1 C 12.220 0.000 1 904 . 105 ILE C C 175.508 0.000 1 905 . 106 LEU N N 114.215 0.163 1 906 . 106 LEU H H 7.495 0.008 1 907 . 106 LEU CA C 54.835 0.000 1 908 . 106 LEU HA H 4.396 0.012 1 909 . 106 LEU CB C 44.461 0.000 1 910 . 106 LEU HB2 H 1.770 0.004 2 911 . 106 LEU HB3 H 1.478 0.004 2 912 . 106 LEU CG C 25.900 0.198 1 913 . 106 LEU HG H 1.316 0.011 1 914 . 106 LEU CD1 C 23.568 0.000 1 915 . 106 LEU CD2 C 26.669 0.109 1 916 . 106 LEU HD1 H 0.180 0.010 1 917 . 106 LEU HD2 H 0.561 0.007 1 918 . 106 LEU C C 173.541 0.021 1 919 . 107 LYS N N 122.245 0.200 1 920 . 107 LYS H H 8.527 0.016 1 921 . 107 LYS CA C 54.624 0.239 1 922 . 107 LYS HA H 4.774 0.008 1 923 . 107 LYS CB C 35.868 0.000 1 924 . 107 LYS CD C 29.801 0.000 1 925 . 107 LYS C C 175.339 0.003 1 926 . 108 TYR N N 128.549 0.125 1 927 . 108 TYR H H 8.808 0.014 1 928 . 108 TYR CA C 58.695 0.221 1 929 . 108 TYR HA H 4.600 0.032 1 930 . 108 TYR CB C 38.793 0.000 1 931 . 108 TYR HB2 H 3.060 0.004 2 932 . 108 TYR HB3 H 2.616 0.003 2 933 . 108 TYR HD1 H 6.838 0.007 1 934 . 108 TYR HD2 H 6.838 0.007 1 935 . 108 TYR HE1 H 7.140 0.007 1 936 . 108 TYR HE2 H 7.140 0.007 1 937 . 108 TYR C C 176.326 0.012 1 938 . 109 ASN N N 121.377 0.170 1 939 . 109 ASN H H 9.334 0.013 1 940 . 109 ASN CA C 51.601 0.160 1 941 . 109 ASN HA H 4.964 0.013 1 942 . 109 ASN CB C 38.868 0.000 1 943 . 109 ASN HB2 H 3.349 0.004 2 944 . 109 ASN HB3 H 2.998 0.005 2 945 . 109 ASN ND2 N 112.670 0.000 1 946 . 109 ASN HD21 H 7.615 0.000 2 947 . 109 ASN HD22 H 7.087 0.000 2 948 . 109 ASN C C 175.746 0.001 1 949 . 110 ALA N N 121.929 0.184 1 950 . 110 ALA H H 9.027 0.016 1 951 . 110 ALA CA C 56.255 0.207 1 952 . 110 ALA HA H 4.087 0.011 1 953 . 110 ALA HB H 1.449 0.017 1 954 . 110 ALA CB C 18.536 0.080 1 955 . 110 ALA C C 175.812 4.058 1 956 . 111 ASP N N 117.107 0.168 1 957 . 111 ASP H H 8.267 0.008 1 958 . 111 ASP CA C 54.554 1.914 1 959 . 111 ASP HA H 4.362 0.005 1 960 . 111 ASP CB C 39.240 0.000 1 961 . 111 ASP HB2 H 2.745 0.012 1 962 . 111 ASP HB3 H 2.745 0.012 1 963 . 111 ASP C C 179.614 0.000 1 964 . 112 GLU N N 122.113 0.206 1 965 . 112 GLU H H 8.378 0.015 1 966 . 112 GLU CA C 58.928 0.199 1 967 . 112 GLU HA H 3.970 0.008 1 968 . 112 GLU CB C 30.751 0.000 1 969 . 112 GLU HB2 H 2.023 0.007 1 970 . 112 GLU HB3 H 2.023 0.007 1 971 . 112 GLU CG C 36.815 0.000 1 972 . 112 GLU HG2 H 2.727 0.007 2 973 . 112 GLU HG3 H 2.293 0.004 2 974 . 112 GLU C C 178.648 0.003 1 975 . 113 ALA N N 121.589 0.154 1 976 . 113 ALA H H 8.851 0.015 1 977 . 113 ALA CA C 55.124 0.000 1 978 . 113 ALA HA H 3.654 0.009 1 979 . 113 ALA HB H 1.382 0.012 1 980 . 113 ALA CB C 17.742 0.102 1 981 . 113 ALA C C 179.460 0.025 1 982 . 114 ARG N N 117.501 0.098 1 983 . 114 ARG H H 8.237 0.010 1 984 . 114 ARG CA C 60.835 0.000 1 985 . 114 ARG HA H 3.726 0.052 1 986 . 114 ARG CB C 30.535 0.000 1 987 . 114 ARG HB2 H 2.078 0.004 2 988 . 114 ARG HB3 H 1.859 0.007 2 989 . 114 ARG CG C 29.590 0.071 1 990 . 114 ARG HG2 H 1.927 0.002 2 991 . 114 ARG HG3 H 1.594 0.005 2 992 . 114 ARG CD C 43.577 0.000 1 993 . 114 ARG HD2 H 3.347 0.011 2 994 . 114 ARG HD3 H 3.205 0.016 2 995 . 114 ARG C C 180.436 0.011 1 996 . 115 SER N N 119.037 0.164 1 997 . 115 SER H H 8.051 0.014 1 998 . 115 SER CA C 62.898 0.236 1 999 . 115 SER HA H 4.164 0.008 1 1000 . 115 SER CB C 62.622 0.123 1 1001 . 115 SER HB2 H 3.820 0.014 1 1002 . 115 SER HB3 H 3.820 0.014 1 1003 . 115 SER C C 175.615 0.000 1 1004 . 116 LEU N N 121.487 0.194 1 1005 . 116 LEU H H 8.551 0.014 1 1006 . 116 LEU CA C 58.329 0.144 1 1007 . 116 LEU HA H 3.744 0.011 1 1008 . 116 LEU CB C 41.454 0.000 1 1009 . 116 LEU HB2 H 1.773 0.003 2 1010 . 116 LEU HB3 H 0.601 0.012 2 1011 . 116 LEU CG C 26.055 0.000 1 1012 . 116 LEU HG H 1.369 0.012 1 1013 . 116 LEU HD1 H -0.494 0.012 1 1014 . 116 LEU HD2 H 0.357 0.014 1 1015 . 116 LEU CD1 C 23.832 0.066 1 1016 . 116 LEU CD2 C 22.009 0.014 1 1017 . 116 LEU C C 180.465 0.003 1 1018 . 117 LYS N N 119.179 0.170 1 1019 . 117 LYS H H 7.855 0.012 1 1020 . 117 LYS CA C 60.015 0.149 1 1021 . 117 LYS HA H 3.953 0.004 1 1022 . 117 LYS CB C 32.464 0.000 1 1023 . 117 LYS HB2 H 1.855 0.003 2 1024 . 117 LYS HB3 H 1.629 0.000 2 1025 . 117 LYS CG C 25.213 0.000 1 1026 . 117 LYS HG2 H 1.337 0.010 2 1027 . 117 LYS HG3 H 1.178 0.003 2 1028 . 117 LYS CD C 29.434 0.000 1 1029 . 117 LYS CE C 42.126 0.000 1 1030 . 117 LYS HE2 H 3.032 0.015 2 1031 . 117 LYS HE3 H 2.929 0.013 2 1032 . 117 LYS C C 179.732 0.054 1 1033 . 118 ALA N N 125.383 0.209 1 1034 . 118 ALA H H 8.056 0.015 1 1035 . 118 ALA CA C 55.124 0.000 1 1036 . 118 ALA HA H 4.106 0.011 1 1037 . 118 ALA HB H 1.413 0.010 1 1038 . 118 ALA CB C 17.505 0.000 1 1039 . 118 ALA C C 180.255 0.000 1 1040 . 119 TYR N N 114.581 0.167 1 1041 . 119 TYR H H 8.138 0.007 1 1042 . 119 TYR CA C 58.270 0.215 1 1043 . 119 TYR HA H 4.656 0.010 1 1044 . 119 TYR CB C 39.160 0.000 1 1045 . 119 TYR HB2 H 3.532 0.000 2 1046 . 119 TYR HB3 H 2.835 0.000 2 1047 . 119 TYR HD1 H 7.207 0.003 1 1048 . 119 TYR HD2 H 7.207 0.003 1 1049 . 119 TYR HE1 H 6.878 0.010 1 1050 . 119 TYR HE2 H 6.878 0.010 1 1051 . 119 TYR C C 176.759 0.011 1 1052 . 120 GLY N N 108.424 0.172 1 1053 . 120 GLY H H 8.004 0.016 1 1054 . 120 GLY CA C 45.675 0.000 1 1055 . 120 GLY HA2 H 4.260 0.008 2 1056 . 120 GLY HA3 H 3.920 0.008 2 1057 . 120 GLY C C 174.952 0.021 1 1058 . 121 GLU N N 118.030 0.167 1 1059 . 121 GLU H H 7.965 0.008 1 1060 . 121 GLU CA C 57.119 0.183 1 1061 . 121 GLU HA H 3.947 0.003 1 1062 . 121 GLU CB C 30.762 0.000 1 1063 . 121 GLU HB2 H 2.097 0.000 2 1064 . 121 GLU HB3 H 1.844 0.000 2 1065 . 121 GLU CG C 36.408 0.000 1 1066 . 121 GLU HG2 H 1.980 0.000 2 1067 . 121 GLU HG3 H 1.580 0.000 2 1068 . 121 GLU C C 176.021 0.021 1 1069 . 122 LEU N N 113.504 0.181 1 1070 . 122 LEU H H 6.277 0.015 1 1071 . 122 LEU CA C 49.669 0.055 1 1072 . 122 LEU HA H 4.279 0.010 1 1073 . 122 LEU CB C 43.900 0.000 1 1074 . 122 LEU HB2 H 0.748 0.000 2 1075 . 122 LEU HB3 H 0.648 0.009 2 1076 . 122 LEU CG C 26.749 0.000 1 1077 . 122 LEU HG H 0.761 0.022 1 1078 . 122 LEU HD1 H 0.414 0.013 1 1079 . 122 LEU HD2 H -0.035 0.011 1 1080 . 122 LEU CD1 C 26.055 0.000 1 1081 . 122 LEU CD2 C 22.631 0.092 1 1082 . 122 LEU C C 177.262 0.000 1 1083 . 123 PRO CD C 49.978 0.017 1 1084 . 123 PRO CA C 61.825 0.121 1 1085 . 123 PRO HA H 4.401 0.007 1 1086 . 123 PRO CB C 32.836 0.019 1 1087 . 123 PRO HB2 H 2.261 0.012 2 1088 . 123 PRO HB3 H 1.557 0.010 2 1089 . 123 PRO CG C 27.329 0.000 1 1090 . 123 PRO HG2 H 2.097 0.012 2 1091 . 123 PRO HG3 H 1.382 0.007 2 1092 . 123 PRO HD2 H 3.498 0.007 2 1093 . 123 PRO HD3 H 2.597 0.009 2 1094 . 123 PRO C C 177.104 0.000 1 1095 . 124 GLU N N 119.650 0.151 1 1096 . 124 GLU H H 8.657 0.008 1 1097 . 124 GLU CA C 59.010 0.000 1 1098 . 124 GLU HA H 3.815 0.004 1 1099 . 124 GLU CB C 29.676 0.052 1 1100 . 124 GLU HB2 H 2.094 0.007 2 1101 . 124 GLU HB3 H 2.009 0.007 2 1102 . 124 GLU CG C 35.916 0.000 1 1103 . 124 GLU HG2 H 2.301 0.020 1 1104 . 124 GLU HG3 H 2.301 0.020 1 1105 . 124 GLU C C 177.052 0.000 1 1106 . 125 HIS N N 111.007 0.207 1 1107 . 125 HIS H H 7.290 0.006 1 1108 . 125 HIS CA C 56.005 0.000 1 1109 . 125 HIS HA H 4.568 0.008 1 1110 . 125 HIS CB C 30.275 0.000 1 1111 . 125 HIS HB2 H 3.352 0.000 2 1112 . 125 HIS HB3 H 3.043 0.000 2 1113 . 125 HIS HD2 H 7.210 0.000 1 1114 . 125 HIS HE1 H 7.900 0.000 1 1115 . 125 HIS C C 175.975 0.018 1 1116 . 126 ALA N N 124.153 0.181 1 1117 . 126 ALA H H 7.207 0.008 1 1118 . 126 ALA CA C 52.637 0.000 1 1119 . 126 ALA HA H 4.257 0.009 1 1120 . 126 ALA HB H 0.999 0.009 1 1121 . 126 ALA CB C 18.402 0.050 1 1122 . 126 ALA C C 176.465 0.015 1 1123 . 127 LYS N N 127.367 0.159 1 1124 . 127 LYS H H 9.238 0.010 1 1125 . 127 LYS CA C 55.445 0.254 1 1126 . 127 LYS HA H 4.424 0.010 1 1127 . 127 LYS CB C 32.304 0.000 1 1128 . 127 LYS HB2 H 1.827 0.036 1 1129 . 127 LYS HB3 H 1.827 0.036 1 1130 . 127 LYS CG C 24.597 0.000 1 1131 . 127 LYS HE2 H 3.074 0.000 1 1132 . 127 LYS HE3 H 3.074 0.000 1 1133 . 127 LYS C C 175.828 0.000 1 1134 . 128 ILE N N 124.286 0.219 1 1135 . 128 ILE H H 8.289 0.012 1 1136 . 128 ILE CA C 59.477 0.000 1 1137 . 128 ILE HA H 4.316 0.017 1 1138 . 128 ILE CB C 38.661 0.045 1 1139 . 128 ILE HB H 1.858 0.015 1 1140 . 128 ILE CG1 C 27.329 0.000 1 1141 . 128 ILE HG12 H 1.270 0.010 2 1142 . 128 ILE HG13 H 1.068 0.009 2 1143 . 128 ILE HG2 H 0.897 0.015 1 1144 . 128 ILE CG2 C 17.800 0.138 1 1145 . 128 ILE HD1 H 0.649 0.013 1 1146 . 128 ILE CD1 C 12.842 0.000 1 1147 . 128 ILE C C 176.193 0.001 1 1148 . 129 ASN N N 125.552 0.174 1 1149 . 129 ASN H H 9.120 0.014 1 1150 . 129 ASN CA C 52.867 0.233 1 1151 . 129 ASN HA H 4.742 0.019 1 1152 . 129 ASN CB C 38.885 0.000 1 1153 . 129 ASN HB2 H 2.976 0.000 2 1154 . 129 ASN HB3 H 2.814 0.000 2 1155 . 129 ASN C C 175.477 0.014 1 1156 . 130 GLU N N 122.659 0.174 1 1157 . 130 GLU H H 8.637 0.013 1 1158 . 130 GLU CA C 56.958 0.221 1 1159 . 130 GLU HA H 4.276 0.004 1 1160 . 130 GLU CB C 30.589 0.000 1 1161 . 130 GLU HB2 H 2.141 0.000 2 1162 . 130 GLU HB3 H 1.948 0.000 2 1163 . 130 GLU CG C 36.408 0.000 1 1164 . 130 GLU HG2 H 2.334 0.000 2 1165 . 130 GLU HG3 H 2.245 0.000 2 1166 . 130 GLU C C 176.723 0.004 1 1167 . 131 THR N N 113.510 0.177 1 1168 . 131 THR H H 7.984 0.011 1 1169 . 131 THR CA C 61.140 0.190 1 1170 . 131 THR HA H 4.433 0.027 1 1171 . 131 THR CB C 70.186 0.264 1 1172 . 131 THR HB H 4.264 0.009 1 1173 . 131 THR HG2 H 1.234 0.011 1 1174 . 131 THR CG2 C 21.546 0.002 1 1175 . 131 THR C C 174.076 0.021 1 1176 . 132 ASP N N 123.048 0.215 1 1177 . 132 ASP H H 8.462 0.012 1 1178 . 132 ASP CA C 54.759 0.000 1 1179 . 132 ASP HA H 4.775 0.018 1 1180 . 132 ASP CB C 42.005 0.000 1 1181 . 132 ASP HB2 H 2.617 0.012 1 1182 . 132 ASP HB3 H 2.617 0.012 1 1183 . 132 ASP C C 176.234 0.020 1 1184 . 133 THR N N 114.400 0.203 1 1185 . 133 THR H H 8.104 0.008 1 1186 . 133 THR CA C 61.779 0.099 1 1187 . 133 THR HA H 4.308 0.021 1 1188 . 133 THR CB C 69.991 0.171 1 1189 . 133 THR HB H 4.158 0.012 1 1190 . 133 THR HG2 H 1.129 0.013 1 1191 . 133 THR CG2 C 21.592 0.078 1 1192 . 133 THR C C 174.183 0.000 1 1193 . 134 PHE N N 122.198 0.215 1 1194 . 134 PHE H H 8.336 0.012 1 1195 . 134 PHE CA C 57.423 0.210 1 1196 . 134 PHE HA H 4.678 0.000 1 1197 . 134 PHE CB C 40.246 0.000 1 1198 . 134 PHE HB2 H 3.083 0.013 2 1199 . 134 PHE HB3 H 2.950 0.013 2 1200 . 134 PHE HD1 H 7.250 0.113 1 1201 . 134 PHE HD2 H 7.250 0.113 1 1202 . 134 PHE HE1 H 7.350 0.113 1 1203 . 134 PHE HE2 H 7.350 0.113 1 1204 . 134 PHE C C 175.690 0.011 1 1205 . 135 GLY N N 110.302 0.205 1 1206 . 135 GLY H H 8.051 0.015 1 1207 . 135 GLY CA C 44.603 0.268 1 1208 . 135 GLY HA2 H 3.757 0.010 1 1209 . 135 GLY HA3 H 3.757 0.010 1 1210 . 135 GLY C C 171.617 0.000 1 1211 . 136 PRO CD C 49.528 0.000 1 1212 . 136 PRO CA C 63.342 0.103 1 1213 . 136 PRO HA H 4.366 0.023 1 1214 . 136 PRO CB C 32.282 0.032 1 1215 . 136 PRO HB2 H 2.212 0.020 2 1216 . 136 PRO HB3 H 2.014 0.052 2 1217 . 136 PRO CG C 26.988 0.000 1 1218 . 136 PRO HG2 H 1.977 0.020 1 1219 . 136 PRO HG3 H 1.977 0.020 1 1220 . 136 PRO HD2 H 3.467 0.017 2 1221 . 136 PRO HD3 H 3.283 0.021 2 1222 . 136 PRO C C 177.753 0.000 1 1223 . 137 GLY N N 109.589 0.215 1 1224 . 137 GLY H H 8.509 0.019 1 1225 . 137 GLY CA C 45.359 0.000 1 1226 . 137 GLY HA2 H 4.001 0.033 2 1227 . 137 GLY HA3 H 3.941 0.033 2 1228 . 137 GLY C C 174.308 0.000 1 1229 . 138 ASP N N 120.706 0.178 1 1230 . 138 ASP H H 8.211 0.007 1 1231 . 138 ASP CA C 54.800 0.000 1 1232 . 138 ASP HA H 4.756 0.000 1 1233 . 138 ASP C C 176.770 0.000 1 1234 . 141 GLU N N 120.648 0.219 1 1235 . 141 GLU H H 8.283 0.019 1 1236 . 141 GLU CA C 56.988 0.000 1 1237 . 141 GLU HA H 4.233 0.035 1 1238 . 141 GLU CB C 30.648 0.000 1 1239 . 141 GLU HB2 H 2.007 0.037 1 1240 . 141 GLU HB3 H 2.007 0.037 1 1241 . 141 GLU CG C 36.335 0.000 1 1242 . 141 GLU HG2 H 2.283 0.000 1 1243 . 141 GLU HG3 H 2.283 0.000 1 1244 . 141 GLU C C 176.598 0.021 1 1245 . 142 ILE N N 122.158 0.204 1 1246 . 142 ILE H H 8.085 0.017 1 1247 . 142 ILE CA C 61.066 0.085 1 1248 . 142 ILE HA H 4.094 0.016 1 1249 . 142 ILE CB C 38.701 0.000 1 1250 . 142 ILE HB H 1.806 0.015 1 1251 . 142 ILE HG2 H 0.768 0.034 1 1252 . 142 ILE CG2 C 17.505 0.000 1 1253 . 142 ILE CG1 C 27.415 0.000 1 1254 . 142 ILE HG12 H 1.475 0.000 2 1255 . 142 ILE HG13 H 1.156 0.000 2 1256 . 142 ILE HD1 H 0.815 0.057 1 1257 . 142 ILE CD1 C 12.918 0.000 1 1258 . 142 ILE C C 175.915 0.021 1 1259 . 143 GLN N N 124.395 0.227 1 1260 . 143 GLN H H 8.315 0.015 1 1261 . 143 GLN CA C 55.493 0.000 1 1262 . 143 GLN HA H 4.678 0.032 1 1263 . 143 GLN CB C 29.998 0.000 1 1264 . 143 GLN HB2 H 2.260 0.000 1 1265 . 143 GLN HB3 H 2.260 0.000 1 1266 . 143 GLN CG C 33.655 0.000 1 1267 . 143 GLN C C 175.584 0.012 1 1268 . 144 PHE N N 122.015 0.214 1 1269 . 144 PHE H H 8.316 0.020 1 1270 . 144 PHE CA C 57.880 0.000 1 1271 . 144 PHE HA H 4.667 0.000 1 1272 . 144 PHE CB C 39.971 0.000 1 1273 . 144 PHE HB2 H 3.196 0.000 2 1274 . 144 PHE HB3 H 2.996 0.000 2 1275 . 144 PHE HD1 H 7.270 0.000 1 1276 . 144 PHE HD2 H 7.270 0.000 1 1277 . 144 PHE HE1 H 7.350 0.000 1 1278 . 144 PHE HE2 H 7.350 0.000 1 1279 . 144 PHE C C 175.493 0.006 1 1280 . 145 ASP N N 121.339 0.175 1 1281 . 145 ASP H H 8.371 0.021 1 1282 . 145 ASP CA C 53.950 0.000 1 1283 . 145 ASP C C 175.732 0.010 1 1284 . 147 ILE N N 120.627 0.214 1 1285 . 147 ILE H H 8.060 0.018 1 1286 . 147 ILE CA C 61.733 0.000 1 1287 . 147 ILE HA H 4.188 0.037 1 1288 . 147 ILE CB C 38.701 0.000 1 1289 . 147 ILE HB H 1.977 0.007 1 1290 . 147 ILE HG2 H 0.940 0.000 1 1291 . 147 ILE CG2 C 17.597 0.000 1 1292 . 147 ILE CG1 C 27.048 0.000 1 1293 . 147 ILE HG12 H 1.490 0.000 2 1294 . 147 ILE HG13 H 1.220 0.000 2 1295 . 147 ILE CD1 C 13.193 0.000 1 1296 . 147 ILE HD1 H 0.890 0.000 1 1297 . 147 ILE C C 176.941 0.000 1 1298 . 148 GLY N N 112.351 0.226 1 1299 . 148 GLY H H 8.469 0.017 1 1300 . 148 GLY CA C 44.991 0.000 1 1301 . 148 GLY HA2 H 3.983 0.000 1 1302 . 148 GLY HA3 H 3.983 0.000 1 1303 . 148 GLY C C 174.053 0.009 1 1304 . 149 ASP N N 120.876 0.183 1 1305 . 149 ASP H H 8.295 0.017 1 1306 . 149 ASP CA C 54.358 0.000 1 1307 . 149 ASP C C 176.495 0.000 1 1308 . 152 GLU N N 120.664 0.224 1 1309 . 152 GLU H H 8.310 0.028 1 1310 . 152 GLU CA C 56.782 0.000 1 1311 . 152 GLU HA H 4.306 0.000 1 1312 . 152 GLU CB C 30.870 0.000 1 1313 . 152 GLU CG C 36.266 0.000 1 1314 . 152 GLU HG2 H 2.283 0.000 1 1315 . 152 GLU HG3 H 2.283 0.000 1 1316 . 152 GLU C C 176.317 0.039 1 1317 . 153 ASP N N 122.049 0.196 1 1318 . 153 ASP H H 8.455 0.009 1 1319 . 153 ASP CA C 54.479 0.000 1 1320 . 153 ASP HA H 4.681 0.000 1 1321 . 153 ASP CB C 41.423 0.000 1 1322 . 153 ASP HB2 H 2.618 0.000 2 1323 . 153 ASP HB3 H 2.800 0.000 2 1324 . 153 ASP C C 176.275 0.003 1 1325 . 154 ILE N N 120.643 0.198 1 1326 . 154 ILE H H 8.032 0.014 1 1327 . 154 ILE CA C 61.457 0.000 1 1328 . 154 ILE HA H 4.215 0.016 1 1329 . 154 ILE CB C 39.252 0.000 1 1330 . 154 ILE HB H 1.953 0.000 1 1331 . 154 ILE HG2 H 0.920 0.000 1 1332 . 154 ILE CG2 C 17.597 0.000 1 1333 . 154 ILE CG1 C 26.957 0.000 1 1334 . 154 ILE HG12 H 1.473 0.000 2 1335 . 154 ILE HG13 H 1.215 0.000 2 1336 . 154 ILE CD1 C 13.193 0.000 1 1337 . 154 ILE HD1 H 0.900 0.000 1 1338 . 154 ILE C C 176.032 0.011 1 1339 . 155 ASP N N 123.932 0.226 1 1340 . 155 ASP H H 8.363 0.013 1 1341 . 155 ASP CA C 54.760 0.000 1 1342 . 155 ASP HA H 4.673 0.008 1 1343 . 155 ASP CB C 41.747 0.000 1 1344 . 155 ASP HB2 H 2.724 0.015 2 1345 . 155 ASP HB3 H 2.644 0.015 2 1346 . 155 ASP C C 175.968 0.011 1 1347 . 156 ASP N N 121.433 0.214 1 1348 . 156 ASP H H 8.265 0.010 1 1349 . 156 ASP CA C 54.517 0.000 1 1350 . 156 ASP HA H 4.671 0.010 1 1351 . 156 ASP CB C 41.265 0.000 1 1352 . 156 ASP HB2 H 2.729 0.011 2 1353 . 156 ASP HB3 H 2.590 0.011 2 1354 . 156 ASP C C 175.241 0.011 1 1355 . 157 ILE N N 124.783 0.213 1 1356 . 157 ILE H H 7.601 0.011 1 1357 . 157 ILE CA C 62.732 0.020 1 1358 . 157 ILE HA H 4.096 0.018 1 1359 . 157 ILE CB C 39.579 0.000 1 1360 . 157 ILE HB H 1.873 0.000 1 1361 . 157 ILE HG2 H 0.913 0.019 1 1362 . 157 ILE CG2 C 18.018 0.040 1 1363 . 157 ILE HG12 H 1.453 0.021 2 1364 . 157 ILE HG13 H 1.171 0.020 2 1365 . 157 ILE HD1 H 0.898 0.000 1 1366 . 157 ILE CD1 C 13.603 0.000 1 1367 . 157 ILE C C 181.388 0.000 1 stop_ save_