data_6225 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Resonance Assignment of the Amino-terminal Domain of Tfb1 subunit of yeast TFIIH ; _BMRB_accession_number 6225 _BMRB_flat_file_name bmr6225.str _Entry_type original _Submission_date 2004-06-04 _Accession_date 2004-06-07 _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 Nguyen Bao D. . 2 'Di Lello' Paola . . 3 Legault Pascale . . 4 Ominchinski James G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 681 "13C chemical shifts" 497 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-18 original author . stop_ _Original_release_date 2005-03-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N, and 13C Resonance Assignment of the Amino-terminal Domain of Tfb1 subunit of yeast TFIIH ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nguyen Bao D. . 2 'Di Lello' Paola . . 3 Legault Pascale . . 4 Ominchinski James G. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 173 _Page_last 174 _Year 2005 _Details . loop_ _Keyword TFIIH Tfb1 p62 'NMR assignment' stop_ save_ ################################## # Molecular system description # ################################## save_system_Tfb1 _Saveframe_category molecular_system _Mol_system_name Tfb1 _Abbreviation_common Tfb1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Tfb1 $Tfb1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Tfb1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Yeast Tfb1' _Abbreviation_common Tfb1 _Molecular_mass . _Mol_thiol_state 'not present' _Details ; The peptide bond between residues 23 and 24 is in the cis conformation. The four amino acids (G,N,S,S) at the carboxyl-terminus result from the cloning procedure. Also a mutation of the first amino acid (MET1) into a proline is a result of the cloning procedure. ; ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; PSHSGAAIFEKVSGIIAINE DVSPAELTWRSTDGDKVHTV VLSTIDKLQATPASSEKMML RLIGKVDESKKRKDNEGNEV VPKPQRHMFSFNNRTVMDNI KMTLQQIISRYKDADGNSS ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 SER 3 HIS 4 SER 5 GLY 6 ALA 7 ALA 8 ILE 9 PHE 10 GLU 11 LYS 12 VAL 13 SER 14 GLY 15 ILE 16 ILE 17 ALA 18 ILE 19 ASN 20 GLU 21 ASP 22 VAL 23 SER 24 PRO 25 ALA 26 GLU 27 LEU 28 THR 29 TRP 30 ARG 31 SER 32 THR 33 ASP 34 GLY 35 ASP 36 LYS 37 VAL 38 HIS 39 THR 40 VAL 41 VAL 42 LEU 43 SER 44 THR 45 ILE 46 ASP 47 LYS 48 LEU 49 GLN 50 ALA 51 THR 52 PRO 53 ALA 54 SER 55 SER 56 GLU 57 LYS 58 MET 59 MET 60 LEU 61 ARG 62 LEU 63 ILE 64 GLY 65 LYS 66 VAL 67 ASP 68 GLU 69 SER 70 LYS 71 LYS 72 ARG 73 LYS 74 ASP 75 ASN 76 GLU 77 GLY 78 ASN 79 GLU 80 VAL 81 VAL 82 PRO 83 LYS 84 PRO 85 GLN 86 ARG 87 HIS 88 MET 89 PHE 90 SER 91 PHE 92 ASN 93 ASN 94 ARG 95 THR 96 VAL 97 MET 98 ASP 99 ASN 100 ILE 101 LYS 102 MET 103 THR 104 LEU 105 GLN 106 GLN 107 ILE 108 ILE 109 SER 110 ARG 111 TYR 112 LYS 113 ASP 114 ALA 115 ASP 116 GLY 117 ASN 118 SER 119 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18229 Tfb1 100.00 119 100.00 100.00 4.99e-81 BMRB 18842 Tfb1 100.00 119 100.00 100.00 4.99e-81 BMRB 19791 Tfb1 96.64 115 100.00 100.00 4.75e-78 PDB 1Y5O "Nmr Structure Of The Amino-Terminal Domain From The Tfb1 Subunit Of Yeast Tfiih" 95.80 115 100.00 100.00 4.21e-77 PDB 2GS0 "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" 95.80 115 100.00 100.00 4.21e-77 PDB 2K2U "Nmr Structure Of The Complex Between Tfb1 Subunit Of Tfiih And The Activation Domain Of Vp16" 96.64 115 100.00 100.00 4.75e-78 PDB 2L2I "Nmr Structure Of The Complex Between The Tfb1 Subunit Of Tfiih And The Activation Domain Of Eklf" 96.64 115 100.00 100.00 4.75e-78 PDB 2LOX "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad2" 100.00 119 100.00 100.00 4.99e-81 PDB 2M14 "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And Rad4" 100.00 119 100.00 100.00 4.99e-81 PDB 2MKR "Structural Characterization Of A Complex Between The Acidic Transactivation Domain Of Ebna2 And The Tfb1/p62 Subunit Of Tfiih" 96.64 115 100.00 100.00 4.75e-78 DBJ GAA22531 "K7_Tfb1p [Saccharomyces cerevisiae Kyokai no. 7]" 95.80 642 100.00 100.00 1.26e-71 EMBL CAY78811 "Tfb1p [Saccharomyces cerevisiae EC1118]" 95.80 642 100.00 100.00 1.26e-71 GB AAA35143 "RNA polymerase II transcription factor b, 73 kDa subunit [Saccharomyces cerevisiae]" 95.80 642 100.00 100.00 1.26e-71 GB AAB64747 "Tfb1: RNA Polymerase II transcription factor B 73 kD subunit (Swiss Prot. accession number P32776) [Saccharomyces cerevisiae]" 95.80 642 100.00 100.00 1.26e-71 GB AAU09707 "YDR311W [Saccharomyces cerevisiae]" 95.80 642 100.00 100.00 1.10e-71 GB AHY75284 "Tfb1p [Saccharomyces cerevisiae YJM993]" 95.80 642 100.00 100.00 1.26e-71 GB EDN60639 "transcription initiation factor TFIIH subunit [Saccharomyces cerevisiae YJM789]" 95.80 642 100.00 100.00 1.26e-71 REF NP_010597 "TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" 95.80 642 100.00 100.00 1.26e-71 SP P32776 "RecName: Full=RNA polymerase II transcription factor B subunit 1; AltName: Full=General transcription and DNA repair factor IIH" 95.80 642 100.00 100.00 1.26e-71 TPG DAA12150 "TPA: TFIIH/NER complex subunit TFB1 [Saccharomyces cerevisiae S288c]" 95.80 642 100.00 100.00 1.26e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tfb1 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Tfb1 'recombinant technology' . . . . . 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 $Tfb1 1.2 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tfb1 1.2 mM '[U-98% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tfb1 1.2 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 5.3 loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _Sample_label . save_ save_1H-15N_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_(HB)CBCA(CO)NNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CBCA(CO)NNH _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_H(CCO)NNH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NNH-TOCSY _Sample_label . save_ save_C(CO)NNH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NNH-TOCSY _Sample_label . save_ save_1H-13C_HMQC-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HMQC-NOESY' _Sample_label . save_ save_1H-15N_NOESY_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY_HSQC' _Sample_label . save_ save_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_DQF-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_(HB)CB(CGCD)HD_13 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ save_(HB)CB(CGCDCE)HE_14 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CBCA(CO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NNH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NNH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HMQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY_HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.5 0.1 pH temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Tfb1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 PRO CA C 64.000 0.35 1 2 . 1 PRO HA H 4.570 0.02 1 3 . 1 PRO CB C 32.050 0.35 1 4 . 1 PRO HB3 H 1.920 0.02 2 5 . 1 PRO HB2 H 2.330 0.02 2 6 . 1 PRO CG C 27.530 0.35 1 7 . 1 PRO HG3 H 2.010 0.02 2 8 . 1 PRO HG2 H 2.050 0.02 2 9 . 1 PRO CD C 50.990 0.35 1 10 . 1 PRO HD3 H 3.800 0.02 2 11 . 1 PRO HD2 H 3.860 0.02 2 12 . 2 SER N N 112.920 0.10 1 13 . 2 SER H H 8.030 0.02 1 14 . 2 SER CA C 58.850 0.35 1 15 . 2 SER HA H 4.280 0.02 1 16 . 2 SER CB C 63.550 0.35 1 17 . 2 SER HB3 H 3.750 0.02 2 18 . 2 SER HB2 H 3.840 0.02 2 19 . 3 HIS CA C 56.700 0.35 1 20 . 3 HIS HA H 4.600 0.02 1 21 . 3 HIS CB C 31.650 0.35 1 22 . 3 HIS HB3 H 2.900 0.02 2 23 . 3 HIS HB2 H 3.570 0.02 2 24 . 3 HIS CD2 C 118.000 0.35 1 25 . 3 HIS HD2 H 7.050 0.02 1 26 . 3 HIS CE1 C 138.100 0.35 1 27 . 3 HIS HE1 H 8.080 0.02 1 28 . 3 HIS C C 173.920 0.35 1 29 . 4 SER N N 113.640 0.10 1 30 . 4 SER H H 7.820 0.02 1 31 . 4 SER CA C 57.140 0.35 1 32 . 4 SER HA H 5.420 0.02 1 33 . 4 SER CB C 66.120 0.35 1 34 . 4 SER HB3 H 3.840 0.02 1 35 . 4 SER HB2 H 3.840 0.02 1 36 . 4 SER C C 173.480 0.35 1 37 . 5 GLY N N 107.070 0.10 1 38 . 5 GLY H H 8.310 0.02 1 39 . 5 GLY CA C 45.600 0.35 1 40 . 5 GLY HA3 H 4.040 0.02 2 41 . 5 GLY HA2 H 4.220 0.02 2 42 . 5 GLY C C 170.870 0.35 1 43 . 6 ALA N N 125.400 0.10 1 44 . 6 ALA H H 8.630 0.02 1 45 . 6 ALA CA C 52.780 0.35 1 46 . 6 ALA HA H 4.910 0.02 1 47 . 6 ALA CB C 19.470 0.35 1 48 . 6 ALA HB H 1.510 0.02 1 49 . 6 ALA C C 176.710 0.35 1 50 . 7 ALA N N 120.090 0.10 1 51 . 7 ALA H H 8.360 0.02 1 52 . 7 ALA CA C 51.780 0.35 1 53 . 7 ALA HA H 4.580 0.02 1 54 . 7 ALA CB C 24.050 0.35 1 55 . 7 ALA HB H 0.940 0.02 1 56 . 7 ALA C C 176.540 0.35 1 57 . 8 ILE N N 125.380 0.10 1 58 . 8 ILE H H 9.300 0.02 1 59 . 8 ILE CA C 60.090 0.35 1 60 . 8 ILE HA H 4.930 0.02 1 61 . 8 ILE CB C 39.640 0.35 1 62 . 8 ILE HB H 1.510 0.02 1 63 . 8 ILE CG1 C 28.900 0.35 1 64 . 8 ILE HG13 H 0.920 0.02 2 65 . 8 ILE HG12 H 1.430 0.02 2 66 . 8 ILE CD1 C 13.640 0.35 1 67 . 8 ILE HD1 H 0.720 0.02 1 68 . 8 ILE CG2 C 17.380 0.35 1 69 . 8 ILE HG2 H 0.560 0.02 1 70 . 8 ILE C C 175.160 0.35 1 71 . 9 PHE N N 128.790 0.10 1 72 . 9 PHE H H 8.460 0.02 1 73 . 9 PHE CA C 56.310 0.35 1 74 . 9 PHE HA H 4.290 0.02 1 75 . 9 PHE CB C 39.570 0.35 1 76 . 9 PHE HB3 H 0.300 0.02 2 77 . 9 PHE HB2 H 1.080 0.02 2 78 . 9 PHE CD1 C 131.700 0.35 1 79 . 9 PHE HD1 H 6.150 0.02 1 80 . 9 PHE HE1 H 6.570 0.02 1 81 . 9 PHE CZ C 128.700 0.35 1 82 . 9 PHE HZ H 6.320 0.02 1 83 . 9 PHE HE2 H 6.570 0.02 1 84 . 9 PHE CD2 C 131.700 0.35 1 85 . 9 PHE HD2 H 6.150 0.02 1 86 . 9 PHE C C 174.010 0.35 1 87 . 10 GLU N N 126.460 0.10 1 88 . 10 GLU H H 8.760 0.02 1 89 . 10 GLU CA C 56.860 0.35 1 90 . 10 GLU HA H 3.140 0.02 1 91 . 10 GLU CB C 26.750 0.35 1 92 . 10 GLU HB3 H 1.190 0.02 2 93 . 10 GLU HB2 H 1.540 0.02 2 94 . 10 GLU CG C 35.330 0.35 1 95 . 10 GLU HG3 H 0.750 0.02 2 96 . 10 GLU HG2 H 0.840 0.02 2 97 . 10 GLU C C 175.140 0.35 1 98 . 11 LYS N N 105.930 0.10 1 99 . 11 LYS H H 7.900 0.02 1 100 . 11 LYS CA C 58.680 0.35 1 101 . 11 LYS HA H 3.360 0.02 1 102 . 11 LYS CB C 30.210 0.35 1 103 . 11 LYS HB3 H 1.910 0.02 2 104 . 11 LYS HB2 H 2.140 0.02 2 105 . 11 LYS CG C 25.660 0.35 1 106 . 11 LYS HG3 H 1.140 0.02 1 107 . 11 LYS HG2 H 1.140 0.02 1 108 . 11 LYS CD C 29.090 0.35 1 109 . 11 LYS HD3 H 1.520 0.02 2 110 . 11 LYS HD2 H 1.580 0.02 2 111 . 11 LYS CE C 42.090 0.35 1 112 . 11 LYS HE3 H 2.850 0.02 1 113 . 11 LYS HE2 H 2.850 0.02 1 114 . 11 LYS C C 175.480 0.35 1 115 . 12 VAL N N 123.840 0.10 1 116 . 12 VAL H H 7.900 0.02 1 117 . 12 VAL CA C 61.960 0.35 1 118 . 12 VAL HA H 4.370 0.02 1 119 . 12 VAL CB C 34.310 0.35 1 120 . 12 VAL HB H 2.500 0.02 1 121 . 12 VAL CG2 C 22.030 0.35 2 122 . 12 VAL HG2 H 1.080 0.02 2 123 . 12 VAL CG1 C 22.430 0.35 2 124 . 12 VAL HG1 H 1.440 0.02 2 125 . 12 VAL C C 175.070 0.35 1 126 . 13 SER N N 122.060 0.10 1 127 . 13 SER H H 8.880 0.02 1 128 . 13 SER CA C 59.980 0.35 1 129 . 13 SER HA H 4.580 0.02 1 130 . 13 SER CB C 63.870 0.35 1 131 . 13 SER HB3 H 4.000 0.02 2 132 . 13 SER HB2 H 3.950 0.02 2 133 . 13 SER C C 175.260 0.35 1 134 . 14 GLY N N 113.170 0.10 1 135 . 14 GLY H H 8.290 0.02 1 136 . 14 GLY CA C 46.710 0.35 1 137 . 14 GLY HA3 H 4.080 0.02 2 138 . 14 GLY HA2 H 4.300 0.02 2 139 . 14 GLY C C 172.680 0.35 1 140 . 15 ILE N N 123.130 0.10 1 141 . 15 ILE H H 8.270 0.02 1 142 . 15 ILE CA C 59.480 0.35 1 143 . 15 ILE HA H 4.760 0.02 1 144 . 15 ILE CB C 41.680 0.35 1 145 . 15 ILE HB H 1.630 0.02 1 146 . 15 ILE CG1 C 27.670 0.35 1 147 . 15 ILE HG13 H 1.040 0.02 2 148 . 15 ILE HG12 H 1.320 0.02 2 149 . 15 ILE CD1 C 12.240 0.35 1 150 . 15 ILE HD1 H 0.730 0.02 1 151 . 15 ILE CG2 C 17.360 0.35 1 152 . 15 ILE HG2 H 0.730 0.02 1 153 . 15 ILE C C 175.440 0.35 1 154 . 16 ILE N N 127.610 0.10 1 155 . 16 ILE H H 9.390 0.02 1 156 . 16 ILE CA C 60.080 0.35 1 157 . 16 ILE HA H 4.880 0.02 1 158 . 16 ILE CB C 41.570 0.35 1 159 . 16 ILE HB H 1.590 0.02 1 160 . 16 ILE CG1 C 29.870 0.35 1 161 . 16 ILE HG13 H 0.710 0.02 2 162 . 16 ILE HG12 H 1.530 0.02 2 163 . 16 ILE CD1 C 13.920 0.35 1 164 . 16 ILE HD1 H 0.1030 0.02 1 165 . 16 ILE CG2 C 16.820 0.35 1 166 . 16 ILE HG2 H 0.710 0.02 1 167 . 16 ILE C C 173.370 0.35 1 168 . 17 ALA N N 127.930 0.10 1 169 . 17 ALA H H 8.960 0.02 1 170 . 17 ALA CA C 51.510 0.35 1 171 . 17 ALA HA H 5.060 0.02 1 172 . 17 ALA CB C 22.140 0.35 1 173 . 17 ALA HB H 1.320 0.02 1 174 . 17 ALA C C 176.170 0.35 1 175 . 18 ILE N N 122.500 0.10 1 176 . 18 ILE H H 8.690 0.02 1 177 . 18 ILE CA C 60.940 0.35 1 178 . 18 ILE HA H 4.520 0.02 1 179 . 18 ILE CB C 39.100 0.35 1 180 . 18 ILE HB H 1.830 0.02 1 181 . 18 ILE CG1 C 28.500 0.35 1 182 . 18 ILE HG13 H 1.500 0.02 1 183 . 18 ILE HG12 H 1.500 0.02 1 184 . 18 ILE CD1 C 14.970 0.35 1 185 . 18 ILE HD1 H 0.780 0.02 1 186 . 18 ILE CG2 C 17.900 0.35 1 187 . 18 ILE HG2 H 0.690 0.02 1 188 . 18 ILE C C 174.190 0.35 1 189 . 19 ASN N N 127.570 0.10 1 190 . 19 ASN H H 9.360 0.02 1 191 . 19 ASN CA C 51.770 0.35 1 192 . 19 ASN HA H 5.050 0.02 1 193 . 19 ASN CB C 39.760 0.35 1 194 . 19 ASN HB3 H 2.720 0.02 2 195 . 19 ASN HB2 H 3.100 0.02 2 196 . 19 ASN CG C 176.700 0.35 1 197 . 19 ASN ND2 N 110.850 0.10 1 198 . 19 ASN HD21 H 7.690 0.02 2 199 . 19 ASN HD22 H 6.850 0.02 2 200 . 19 ASN C C 174.710 0.35 1 201 . 20 GLU N N 121.550 0.10 1 202 . 20 GLU H H 9.040 0.02 1 203 . 20 GLU CA C 56.080 0.35 1 204 . 20 GLU HA H 4.660 0.02 1 205 . 20 GLU CB C 30.940 0.35 1 206 . 20 GLU HB3 H 2.390 0.02 2 207 . 20 GLU HB2 H 1.970 0.02 2 208 . 20 GLU CG C 39.100 0.35 1 209 . 20 GLU HG3 H 2.030 0.02 2 210 . 20 GLU HG2 H 2.160 0.02 2 211 . 20 GLU C C 176.110 0.35 1 212 . 21 ASP N N 121.090 0.10 1 213 . 21 ASP H H 8.700 0.02 1 214 . 21 ASP CA C 55.700 0.35 1 215 . 21 ASP HA H 4.570 0.02 1 216 . 21 ASP CB C 40.580 0.35 1 217 . 21 ASP HB3 H 2.850 0.02 2 218 . 21 ASP HB2 H 2.790 0.02 2 219 . 21 ASP C C 175.630 0.35 1 220 . 22 VAL N N 113.080 0.10 1 221 . 22 VAL H H 6.810 0.02 1 222 . 22 VAL CA C 59.230 0.35 1 223 . 22 VAL HA H 4.280 0.02 1 224 . 22 VAL CB C 34.030 0.35 1 225 . 22 VAL HB H 1.960 0.02 1 226 . 22 VAL CG2 C 18.080 0.35 2 227 . 22 VAL HG2 H 0.740 0.02 2 228 . 22 VAL CG1 C 21.270 0.35 2 229 . 22 VAL HG1 H 0.790 0.02 2 230 . 22 VAL C C 173.360 0.35 1 231 . 23 SER N N 115.020 0.10 1 232 . 23 SER H H 8.040 0.02 1 233 . 23 SER CA C 53.880 0.35 1 234 . 23 SER HA H 4.700 0.02 1 235 . 23 SER CB C 64.900 0.35 1 236 . 23 SER HB3 H 3.700 0.02 2 237 . 23 SER HB2 H 3.590 0.02 2 238 . 24 PRO CA C 62.910 0.35 1 239 . 24 PRO HA H 4.730 0.02 1 240 . 24 PRO CB C 34.780 0.35 1 241 . 24 PRO HB3 H 1.780 0.02 2 242 . 24 PRO HB2 H 2.080 0.02 2 243 . 24 PRO CG C 26.020 0.35 1 244 . 24 PRO HG3 H 1.800 0.02 2 245 . 24 PRO HG2 H 1.760 0.02 2 246 . 24 PRO CD C 49.760 0.35 1 247 . 24 PRO HD3 H 3.440 0.02 1 248 . 24 PRO HD2 H 3.440 0.02 1 249 . 24 PRO C C 174.700 0.35 1 250 . 25 ALA N N 120.420 0.10 1 251 . 25 ALA H H 7.930 0.02 1 252 . 25 ALA CA C 52.740 0.35 1 253 . 25 ALA HA H 4.480 0.02 1 254 . 25 ALA CB C 20.610 0.35 1 255 . 25 ALA HB H 1.510 0.02 1 256 . 25 ALA C C 175.660 0.35 1 257 . 26 GLU N N 115.420 0.10 1 258 . 26 GLU H H 7.840 0.02 1 259 . 26 GLU CA C 54.180 0.35 1 260 . 26 GLU HA H 4.990 0.02 1 261 . 26 GLU CB C 34.600 0.35 1 262 . 26 GLU HB3 H 1.680 0.02 2 263 . 26 GLU HB2 H 1.740 0.02 2 264 . 26 GLU CG C 36.140 0.35 1 265 . 26 GLU HG3 H 1.940 0.02 2 266 . 26 GLU HG2 H 2.310 0.02 2 267 . 26 GLU C C 174.530 0.35 1 268 . 27 LEU N N 124.420 0.10 1 269 . 27 LEU H H 8.860 0.02 1 270 . 27 LEU CA C 53.860 0.35 1 271 . 27 LEU HA H 5.000 0.02 1 272 . 27 LEU CB C 45.720 0.35 1 273 . 27 LEU HB3 H 1.570 0.02 2 274 . 27 LEU HB2 H 1.360 0.02 2 275 . 27 LEU CG C 27.340 0.35 1 276 . 27 LEU HG H 1.370 0.02 1 277 . 27 LEU CD1 C 27.340 0.35 2 278 . 27 LEU HD1 H 0.620 0.02 2 279 . 27 LEU CD2 C 25.770 0.35 2 280 . 27 LEU HD2 H 0.520 0.02 2 281 . 27 LEU C C 174.640 0.35 1 282 . 28 THR N N 121.650 0.10 1 283 . 28 THR H H 9.250 0.02 1 284 . 28 THR CA C 61.310 0.35 1 285 . 28 THR HA H 5.190 0.02 1 286 . 28 THR CB C 71.690 0.35 1 287 . 28 THR HB H 3.910 0.02 1 288 . 28 THR CG2 C 22.050 0.35 1 289 . 28 THR HG2 H 1.090 0.02 1 290 . 28 THR C C 172.670 0.35 1 291 . 29 TRP N N 128.980 0.10 1 292 . 29 TRP H H 9.440 0.02 1 293 . 29 TRP CA C 55.880 0.35 1 294 . 29 TRP HA H 5.380 0.02 1 295 . 29 TRP CB C 32.110 0.35 1 296 . 29 TRP HB3 H 2.740 0.02 2 297 . 29 TRP HB2 H 3.100 0.02 2 298 . 29 TRP CD1 C 124.450 0.35 1 299 . 29 TRP HD1 H 6.620 0.02 1 300 . 29 TRP NE1 N 126.160 0.10 1 301 . 29 TRP HE1 H 9.450 0.02 1 302 . 29 TRP CZ2 C 114.660 0.35 1 303 . 29 TRP HZ2 H 7.600 0.02 1 304 . 29 TRP HH2 H 7.080 0.02 1 305 . 29 TRP HZ3 H 6.900 0.02 1 306 . 29 TRP HE3 H 7.320 0.02 1 307 . 29 TRP C C 173.830 0.35 1 308 . 30 ARG N N 126.350 0.10 1 309 . 30 ARG H H 7.580 0.02 1 310 . 30 ARG CA C 53.510 0.35 1 311 . 30 ARG HA H 4.770 0.02 1 312 . 30 ARG CB C 33.820 0.35 1 313 . 30 ARG HB3 H 1.390 0.02 2 314 . 30 ARG HB2 H 1.520 0.02 2 315 . 30 ARG CG C 27.540 0.35 1 316 . 30 ARG HG3 H 1.420 0.02 2 317 . 30 ARG HG2 H 1.560 0.02 2 318 . 30 ARG CD C 43.420 0.35 1 319 . 30 ARG HD3 H 3.000 0.02 2 320 . 30 ARG HD2 H 3.060 0.02 2 321 . 30 ARG NE N 111.050 0.10 1 322 . 30 ARG HE H 7.110 0.02 1 323 . 30 ARG C C 174.790 0.35 1 324 . 31 SER N N 118.520 0.10 1 325 . 31 SER H H 8.060 0.02 1 326 . 31 SER CA C 57.980 0.35 1 327 . 31 SER HA H 4.040 0.02 1 328 . 31 SER CB C 64.320 0.35 1 329 . 31 SER HB3 H 3.960 0.02 2 330 . 31 SER HB2 H 4.430 0.02 2 331 . 31 SER C C 176.350 0.35 1 332 . 32 THR N N 119.270 0.10 1 333 . 32 THR H H 8.530 0.02 1 334 . 32 THR CA C 66.320 0.35 1 335 . 32 THR HA H 3.820 0.02 1 336 . 32 THR CB C 68.710 0.35 1 337 . 32 THR HB H 4.080 0.02 1 338 . 32 THR CG2 C 22.320 0.35 1 339 . 32 THR HG2 H 1.180 0.02 1 340 . 32 THR C C 175.560 0.35 1 341 . 33 ASP N N 117.300 0.10 1 342 . 33 ASP H H 8.210 0.02 1 343 . 33 ASP CA C 54.480 0.35 1 344 . 33 ASP HA H 4.590 0.02 1 345 . 33 ASP CB C 41.110 0.35 1 346 . 33 ASP HB3 H 2.680 0.02 2 347 . 33 ASP HB2 H 2.740 0.02 2 348 . 33 ASP C C 177.010 0.35 1 349 . 34 GLY N N 109.220 0.10 1 350 . 34 GLY H H 7.920 0.02 1 351 . 34 GLY CA C 45.580 0.35 1 352 . 34 GLY HA3 H 3.500 0.02 2 353 . 34 GLY HA2 H 4.090 0.02 2 354 . 34 GLY C C 173.720 0.35 1 355 . 35 ASP N N 118.020 0.10 1 356 . 35 ASP H H 8.240 0.02 1 357 . 35 ASP CA C 54.920 0.35 1 358 . 35 ASP HA H 4.450 0.02 1 359 . 35 ASP CB C 41.160 0.35 1 360 . 35 ASP HB3 H 2.620 0.02 2 361 . 35 ASP HB2 H 2.680 0.02 2 362 . 35 ASP C C 175.310 0.35 1 363 . 36 LYS N N 120.310 0.10 1 364 . 36 LYS H H 7.750 0.02 1 365 . 36 LYS CA C 55.760 0.35 1 366 . 36 LYS HA H 4.780 0.02 1 367 . 36 LYS CB C 35.890 0.35 1 368 . 36 LYS HB3 H 1.900 0.02 2 369 . 36 LYS HB2 H 2.140 0.02 2 370 . 36 LYS CG C 25.320 0.35 1 371 . 36 LYS HG3 H 1.590 0.02 2 372 . 36 LYS HG2 H 1.700 0.02 2 373 . 36 LYS CD C 29.750 0.35 1 374 . 36 LYS HD3 H 1.950 0.02 1 375 . 36 LYS HD2 H 1.950 0.02 1 376 . 36 LYS CE C 42.490 0.35 1 377 . 36 LYS HE3 H 3.130 0.02 2 378 . 36 LYS HE2 H 3.160 0.02 2 379 . 36 LYS C C 174.500 0.35 1 380 . 37 VAL N N 121.790 0.10 1 381 . 37 VAL H H 8.520 0.02 1 382 . 37 VAL CA C 60.370 0.35 1 383 . 37 VAL HA H 5.250 0.02 1 384 . 37 VAL CB C 35.940 0.35 1 385 . 37 VAL HB H 1.990 0.02 1 386 . 37 VAL CG2 C 21.000 0.35 1 387 . 37 VAL HG2 H 0.880 0.02 1 388 . 37 VAL CG1 C 21.000 0.35 1 389 . 37 VAL HG1 H 0.880 0.02 1 390 . 37 VAL C C 175.080 0.35 1 391 . 38 HIS N N 126.440 0.10 1 392 . 38 HIS H H 9.630 0.02 1 393 . 38 HIS CA C 56.310 0.35 1 394 . 38 HIS HA H 5.000 0.02 1 395 . 38 HIS CB C 34.520 0.35 1 396 . 38 HIS HB3 H 2.720 0.02 1 397 . 38 HIS HB2 H 2.720 0.02 1 398 . 38 HIS CD2 C 116.600 0.35 1 399 . 38 HIS HD2 H 6.010 0.02 1 400 . 38 HIS CE1 C 138.700 0.35 1 401 . 38 HIS HE1 H 8.330 0.02 1 402 . 38 HIS C C 173.370 0.35 1 403 . 39 THR N N 124.230 0.10 1 404 . 39 THR H H 8.320 0.02 1 405 . 39 THR CA C 61.650 0.35 1 406 . 39 THR HA H 5.110 0.02 1 407 . 39 THR CB C 71.040 0.35 1 408 . 39 THR HB H 3.700 0.02 1 409 . 39 THR CG2 C 21.560 0.35 1 410 . 39 THR HG2 H 0.930 0.02 1 411 . 39 THR C C 173.060 0.35 1 412 . 40 VAL N N 126.010 0.10 1 413 . 40 VAL H H 9.370 0.02 1 414 . 40 VAL CA C 60.520 0.35 1 415 . 40 VAL HA H 3.850 0.02 1 416 . 40 VAL CB C 34.380 0.35 1 417 . 40 VAL HB H 1.710 0.02 1 418 . 40 VAL CG2 C 19.700 0.35 1 419 . 40 VAL HG2 H 0.220 0.02 1 420 . 40 VAL CG1 C 21.340 0.35 1 421 . 40 VAL HG1 H 0.350 0.02 1 422 . 40 VAL C C 174.690 0.35 1 423 . 41 VAL N N 129.820 0.10 1 424 . 41 VAL H H 9.040 0.02 1 425 . 41 VAL CA C 63.890 0.35 1 426 . 41 VAL HA H 3.910 0.02 1 427 . 41 VAL CB C 30.960 0.35 1 428 . 41 VAL HB H 2.010 0.02 1 429 . 41 VAL CG2 C 21.580 0.35 1 430 . 41 VAL HG2 H 0.980 0.02 2 431 . 41 VAL CG1 C 21.580 0.35 1 432 . 41 VAL HG1 H 0.920 0.02 2 433 . 41 VAL C C 179.290 0.35 1 434 . 42 LEU N N 130.200 0.10 1 435 . 42 LEU H H 9.170 0.02 1 436 . 42 LEU CA C 58.770 0.35 1 437 . 42 LEU HA H 3.890 0.02 1 438 . 42 LEU CB C 40.780 0.35 1 439 . 42 LEU HB3 H 1.420 0.02 2 440 . 42 LEU HB2 H 1.790 0.02 2 441 . 42 LEU CG C 27.610 0.35 1 442 . 42 LEU HG H 1.660 0.02 1 443 . 42 LEU CD1 C 26.680 0.35 2 444 . 42 LEU HD1 H 0.710 0.02 2 445 . 42 LEU CD2 C 22.780 0.35 2 446 . 42 LEU HD2 H 0.670 0.02 2 447 . 42 LEU C C 176.140 0.35 1 448 . 43 SER N N 109.670 0.10 1 449 . 43 SER H H 6.940 0.02 1 450 . 43 SER CA C 59.740 0.35 1 451 . 43 SER HA H 3.890 0.02 1 452 . 43 SER CB C 61.510 0.35 1 453 . 43 SER HB3 H 2.560 0.02 2 454 . 43 SER HB2 H 3.750 0.02 2 455 . 43 SER C C 175.390 0.35 1 456 . 44 THR N N 110.300 0.10 1 457 . 44 THR H H 7.630 0.02 1 458 . 44 THR CA C 62.320 0.35 1 459 . 44 THR HA H 4.480 0.02 1 460 . 44 THR CB C 70.160 0.35 1 461 . 44 THR HB H 4.620 0.02 1 462 . 44 THR CG2 C 21.130 0.35 1 463 . 44 THR HG2 H 1.190 0.02 1 464 . 44 THR C C 173.590 0.35 1 465 . 45 ILE N N 121.010 0.10 1 466 . 45 ILE H H 7.100 0.02 1 467 . 45 ILE CA C 58.120 0.35 1 468 . 45 ILE HA H 4.280 0.02 1 469 . 45 ILE CB C 36.400 0.35 1 470 . 45 ILE HB H 2.280 0.02 1 471 . 45 ILE CG1 C 27.200 0.35 1 472 . 45 ILE HG13 H 1.020 0.02 2 473 . 45 ILE HG12 H 1.690 0.02 2 474 . 45 ILE CD1 C 9.000 0.35 1 475 . 45 ILE HD1 H 0.580 0.02 1 476 . 45 ILE CG2 C 19.060 0.35 1 477 . 45 ILE HG2 H 0.870 0.02 1 478 . 45 ILE C C 173.670 0.35 1 479 . 46 ASP N N 126.400 0.10 1 480 . 46 ASP H H 9.320 0.02 1 481 . 46 ASP CA C 54.960 0.35 1 482 . 46 ASP HA H 4.620 0.02 1 483 . 46 ASP CB C 44.810 0.35 1 484 . 46 ASP HB3 H 2.420 0.02 2 485 . 46 ASP HB2 H 2.510 0.02 2 486 . 46 ASP C C 175.480 0.35 1 487 . 47 LYS N N 112.750 0.10 1 488 . 47 LYS H H 7.600 0.02 1 489 . 47 LYS CA C 54.780 0.35 1 490 . 47 LYS HA H 4.700 0.02 1 491 . 47 LYS CB C 36.510 0.35 1 492 . 47 LYS HB3 H 1.690 0.02 2 493 . 47 LYS HB2 H 1.850 0.02 2 494 . 47 LYS CG C 24.330 0.35 1 495 . 47 LYS HG3 H 1.240 0.02 2 496 . 47 LYS HG2 H 1.320 0.02 2 497 . 47 LYS CD C 29.470 0.35 1 498 . 47 LYS HD3 H 1.630 0.02 1 499 . 47 LYS HD2 H 1.630 0.02 1 500 . 47 LYS CE C 42.120 0.35 1 501 . 47 LYS HE3 H 2.920 0.02 1 502 . 47 LYS HE2 H 2.920 0.02 1 503 . 47 LYS C C 172.770 0.35 1 504 . 48 LEU N N 122.000 0.10 1 505 . 48 LEU H H 8.690 0.02 1 506 . 48 LEU CA C 53.290 0.35 1 507 . 48 LEU HA H 5.250 0.02 1 508 . 48 LEU CB C 45.160 0.35 1 509 . 48 LEU HB3 H 1.420 0.02 2 510 . 48 LEU HB2 H 1.590 0.02 2 511 . 48 LEU CG C 27.000 0.35 1 512 . 48 LEU HG H 1.380 0.02 1 513 . 48 LEU CD1 C 27.000 0.35 1 514 . 48 LEU HD1 H 0.870 0.02 1 515 . 48 LEU CD2 C 27.000 0.35 1 516 . 48 LEU HD2 H 0.870 0.02 1 517 . 48 LEU C C 175.880 0.35 1 518 . 49 GLN N N 123.730 0.10 1 519 . 49 GLN H H 9.250 0.02 1 520 . 49 GLN CA C 54.540 0.35 1 521 . 49 GLN HA H 4.750 0.02 1 522 . 49 GLN CB C 31.940 0.35 1 523 . 49 GLN HB3 H 1.930 0.02 2 524 . 49 GLN HB2 H 2.030 0.02 2 525 . 49 GLN CG C 33.700 0.35 1 526 . 49 GLN HG3 H 2.190 0.02 2 527 . 49 GLN HG2 H 2.330 0.02 2 528 . 49 GLN CD C 179.600 0.35 1 529 . 49 GLN NE2 N 111.500 0.10 1 530 . 49 GLN HE21 H 7.530 0.02 2 531 . 49 GLN HE22 H 6.850 0.02 2 532 . 49 GLN C C 173.950 0.35 1 533 . 50 ALA N N 127.480 0.10 1 534 . 50 ALA H H 8.900 0.02 1 535 . 50 ALA CA C 50.160 0.35 1 536 . 50 ALA HA H 5.460 0.02 1 537 . 50 ALA CB C 22.800 0.35 1 538 . 50 ALA HB H 1.290 0.02 1 539 . 50 ALA C C 177.390 0.35 1 540 . 51 THR N N 114.090 0.10 1 541 . 51 THR H H 8.190 0.02 1 542 . 51 THR CA C 59.670 0.35 1 543 . 51 THR HA H 4.500 0.02 1 544 . 51 THR CB C 68.260 0.35 1 545 . 51 THR HB H 4.430 0.02 1 546 . 51 THR CG2 C 24.090 0.35 1 547 . 51 THR HG2 H 1.430 0.02 1 548 . 52 PRO CA C 62.500 0.35 1 549 . 52 PRO HA H 4.630 0.02 1 550 . 52 PRO CB C 32.640 0.35 1 551 . 52 PRO HB3 H 2.420 0.02 2 552 . 52 PRO HB2 H 2.110 0.02 2 553 . 52 PRO CG C 27.480 0.35 1 554 . 52 PRO HG3 H 2.130 0.02 2 555 . 52 PRO HG2 H 2.000 0.02 2 556 . 52 PRO CD C 50.120 0.35 1 557 . 52 PRO HD3 H 3.840 0.02 2 558 . 52 PRO HD2 H 3.640 0.02 2 559 . 53 ALA CA C 54.900 0.35 1 560 . 53 ALA HA H 4.030 0.02 1 561 . 53 ALA CB C 18.100 0.35 1 562 . 53 ALA HB H 1.410 0.02 1 563 . 53 ALA C C 177.480 0.35 1 564 . 54 SER N N 107.740 0.10 1 565 . 54 SER H H 7.630 0.02 1 566 . 54 SER CA C 58.260 0.35 1 567 . 54 SER HA H 4.230 0.02 1 568 . 54 SER CB C 63.120 0.35 1 569 . 54 SER HB3 H 3.800 0.02 2 570 . 54 SER HB2 H 4.050 0.02 2 571 . 54 SER C C 174.760 0.35 1 572 . 55 SER N N 117.050 0.10 1 573 . 55 SER H H 7.660 0.02 1 574 . 55 SER CA C 57.660 0.35 1 575 . 55 SER HA H 4.520 0.02 1 576 . 55 SER CB C 64.250 0.35 1 577 . 55 SER HB3 H 3.900 0.02 2 578 . 55 SER HB2 H 4.000 0.02 2 579 . 55 SER C C 174.750 0.35 1 580 . 56 GLU N N 125.670 0.10 1 581 . 56 GLU H H 8.920 0.02 1 582 . 56 GLU CA C 58.160 0.35 1 583 . 56 GLU HA H 4.130 0.02 1 584 . 56 GLU CB C 29.580 0.35 1 585 . 56 GLU HB3 H 2.040 0.02 2 586 . 56 GLU HB2 H 2.100 0.02 2 587 . 56 GLU CG C 36.390 0.35 1 588 . 56 GLU HG3 H 2.240 0.02 2 589 . 56 GLU HG2 H 2.340 0.02 2 590 . 56 GLU C C 177.300 0.35 1 591 . 57 LYS N N 118.950 0.10 1 592 . 57 LYS H H 7.970 0.02 1 593 . 57 LYS CA C 55.840 0.35 1 594 . 57 LYS HA H 4.290 0.02 1 595 . 57 LYS CB C 33.420 0.35 1 596 . 57 LYS HB3 H 1.710 0.02 2 597 . 57 LYS HB2 H 1.760 0.02 2 598 . 57 LYS CG C 25.200 0.35 1 599 . 57 LYS HG3 H 1.370 0.02 2 600 . 57 LYS HG2 H 1.460 0.02 2 601 . 57 LYS CD C 29.120 0.35 1 602 . 57 LYS HD3 H 1.650 0.02 1 603 . 57 LYS HD2 H 1.650 0.02 1 604 . 57 LYS CE C 42.180 0.35 1 605 . 57 LYS HE3 H 2.930 0.02 1 606 . 57 LYS HE2 H 2.930 0.02 1 607 . 57 LYS C C 175.860 0.35 1 608 . 58 MET N N 124.750 0.10 1 609 . 58 MET H H 8.820 0.02 1 610 . 58 MET CA C 55.390 0.35 1 611 . 58 MET HA H 4.310 0.02 1 612 . 58 MET CB C 35.020 0.35 1 613 . 58 MET HB3 H 2.130 0.02 2 614 . 58 MET HB2 H 2.400 0.02 2 615 . 58 MET CG C 32.400 0.35 1 616 . 58 MET HG3 H 2.330 0.02 1 617 . 58 MET HG2 H 2.330 0.02 1 618 . 58 MET CE C 18.800 0.35 5 619 . 58 MET HE H 2.050 0.02 5 620 . 58 MET C C 174.030 0.35 1 621 . 59 MET N N 122.570 0.10 1 622 . 59 MET H H 8.400 0.02 1 623 . 59 MET CA C 55.050 0.35 1 624 . 59 MET HA H 5.590 0.02 1 625 . 59 MET CB C 37.540 0.35 1 626 . 59 MET HB3 H 1.930 0.02 2 627 . 59 MET HB2 H 1.990 0.02 2 628 . 59 MET CG C 31.900 0.35 1 629 . 59 MET HG3 H 2.380 0.02 2 630 . 59 MET HG2 H 2.540 0.02 2 631 . 59 MET CE C 17.360 0.35 1 632 . 59 MET HE H 1.930 0.02 1 633 . 59 MET C C 174.140 0.35 1 634 . 60 LEU N N 121.620 0.10 1 635 . 60 LEU H H 9.140 0.02 1 636 . 60 LEU CA C 53.450 0.35 1 637 . 60 LEU HA H 5.270 0.02 1 638 . 60 LEU CB C 46.980 0.35 1 639 . 60 LEU HB3 H 1.700 0.02 2 640 . 60 LEU HB2 H 1.750 0.02 2 641 . 60 LEU CG C 26.740 0.35 1 642 . 60 LEU HG H 1.720 0.02 1 643 . 60 LEU CD1 C 25.060 0.35 2 644 . 60 LEU HD1 H 0.920 0.02 2 645 . 60 LEU CD2 C 25.290 0.35 2 646 . 60 LEU HD2 H 0.840 0.02 2 647 . 60 LEU C C 174.920 0.35 1 648 . 61 ARG N N 122.320 0.10 1 649 . 61 ARG H H 9.260 0.02 1 650 . 61 ARG CA C 54.460 0.35 1 651 . 61 ARG HA H 5.390 0.02 1 652 . 61 ARG CB C 33.560 0.35 1 653 . 61 ARG HB3 H 1.670 0.02 2 654 . 61 ARG HB2 H 1.750 0.02 2 655 . 61 ARG CG C 28.130 0.35 1 656 . 61 ARG HG3 H 1.360 0.02 2 657 . 61 ARG HG2 H 1.510 0.02 2 658 . 61 ARG CD C 43.800 0.35 1 659 . 61 ARG HD3 H 3.070 0.02 2 660 . 61 ARG HD2 H 3.140 0.02 2 661 . 61 ARG C C 174.500 0.35 1 662 . 62 LEU N N 125.860 0.10 1 663 . 62 LEU H H 9.330 0.02 1 664 . 62 LEU CA C 54.860 0.35 1 665 . 62 LEU HA H 4.970 0.02 1 666 . 62 LEU CB C 42.730 0.35 1 667 . 62 LEU HB3 H 1.660 0.02 2 668 . 62 LEU HB2 H 1.980 0.02 2 669 . 62 LEU CG C 29.060 0.35 1 670 . 62 LEU HG H 1.800 0.02 1 671 . 62 LEU CD1 C 26.730 0.35 2 672 . 62 LEU HD1 H 0.880 0.02 2 673 . 62 LEU CD2 C 25.310 0.35 2 674 . 62 LEU HD2 H 0.980 0.02 2 675 . 62 LEU C C 175.270 0.35 1 676 . 63 ILE N N 124.200 0.10 1 677 . 63 ILE H H 8.950 0.02 1 678 . 63 ILE CA C 60.260 0.35 1 679 . 63 ILE HA H 4.540 0.02 1 680 . 63 ILE CB C 38.560 0.35 1 681 . 63 ILE HB H 1.910 0.02 1 682 . 63 ILE CG1 C 27.600 0.35 1 683 . 63 ILE HG13 H 1.120 0.02 2 684 . 63 ILE HG12 H 1.340 0.02 2 685 . 63 ILE CD1 C 12.500 0.35 1 686 . 63 ILE HD1 H 0.700 0.02 1 687 . 63 ILE CG2 C 17.780 0.35 1 688 . 63 ILE HG2 H 1.040 0.02 1 689 . 63 ILE C C 176.230 0.35 1 690 . 64 GLY N N 115.650 0.10 1 691 . 64 GLY H H 9.310 0.02 1 692 . 64 GLY CA C 45.330 0.35 1 693 . 64 GLY HA3 H 4.030 0.02 2 694 . 64 GLY HA2 H 4.680 0.02 2 695 . 64 GLY C C 172.450 0.35 1 696 . 65 LYS N N 119.470 0.10 1 697 . 65 LYS H H 8.330 0.02 1 698 . 65 LYS CA C 56.770 0.35 1 699 . 65 LYS HA H 4.250 0.02 1 700 . 65 LYS CB C 34.470 0.35 1 701 . 65 LYS HB3 H 1.560 0.02 2 702 . 65 LYS HB2 H 1.860 0.02 2 703 . 65 LYS CG C 26.320 0.35 1 704 . 65 LYS HG3 H 1.190 0.02 2 705 . 65 LYS HG2 H 1.380 0.02 2 706 . 65 LYS CD C 29.880 0.35 1 707 . 65 LYS HD3 H 1.600 0.02 2 708 . 65 LYS HD2 H 1.690 0.02 2 709 . 65 LYS CE C 42.630 0.35 1 710 . 65 LYS HE3 H 2.820 0.02 2 711 . 65 LYS HE2 H 2.920 0.02 2 712 . 65 LYS C C 177.310 0.35 1 713 . 66 VAL N N 122.000 0.10 1 714 . 66 VAL H H 8.610 0.02 1 715 . 66 VAL CA C 62.070 0.35 1 716 . 66 VAL HA H 4.100 0.02 1 717 . 66 VAL CB C 33.280 0.35 1 718 . 66 VAL HB H 1.960 0.02 1 719 . 66 VAL CG2 C 21.240 0.35 2 720 . 66 VAL HG2 H 0.880 0.02 2 721 . 66 VAL CG1 C 21.560 0.35 2 722 . 66 VAL HG1 H 0.820 0.02 2 723 . 67 ASP CA C 53.140 0.35 1 724 . 67 ASP HA H 4.670 0.02 1 725 . 67 ASP CB C 40.930 0.35 1 726 . 67 ASP HB3 H 2.540 0.02 2 727 . 67 ASP HB2 H 2.790 0.02 2 728 . 67 ASP C C 176.530 0.35 1 729 . 68 GLU N N 124.420 0.10 1 730 . 68 GLU H H 8.730 0.02 1 731 . 68 GLU CA C 57.610 0.35 1 732 . 68 GLU HA H 4.110 0.02 1 733 . 68 GLU CB C 29.740 0.35 1 734 . 68 GLU HB3 H 1.920 0.02 2 735 . 68 GLU HB2 H 2.150 0.02 2 736 . 68 GLU CG C 36.810 0.35 1 737 . 68 GLU HG3 H 2.160 0.02 2 738 . 68 GLU HG2 H 2.310 0.02 2 739 . 68 GLU C C 177.350 0.35 1 740 . 69 SER N N 115.820 0.10 1 741 . 69 SER H H 8.470 0.02 1 742 . 69 SER CA C 60.370 0.35 1 743 . 69 SER HA H 4.280 0.02 1 744 . 69 SER CB C 63.470 0.35 1 745 . 69 SER HB3 H 3.930 0.02 1 746 . 69 SER HB2 H 3.930 0.02 1 747 . 69 SER C C 175.160 0.35 1 748 . 70 LYS N N 121.850 0.10 1 749 . 70 LYS H H 7.690 0.02 1 750 . 70 LYS CA C 55.490 0.35 1 751 . 70 LYS HA H 4.380 0.02 1 752 . 70 LYS CB C 32.590 0.35 1 753 . 70 LYS HB3 H 1.880 0.02 1 754 . 70 LYS HB2 H 1.880 0.02 1 755 . 70 LYS CG C 24.900 0.35 1 756 . 70 LYS HG3 H 1.340 0.02 2 757 . 70 LYS HG2 H 1.420 0.02 2 758 . 70 LYS CD C 29.000 0.35 1 759 . 70 LYS HD3 H 1.630 0.02 1 760 . 70 LYS HD2 H 1.630 0.02 1 761 . 70 LYS CE C 42.300 0.35 1 762 . 70 LYS HE3 H 2.960 0.02 1 763 . 70 LYS HE2 H 2.960 0.02 1 764 . 70 LYS C C 176.040 0.35 1 765 . 71 LYS N N 121.280 0.10 1 766 . 71 LYS H H 7.800 0.02 1 767 . 71 LYS CA C 56.620 0.35 1 768 . 71 LYS HA H 4.360 0.02 1 769 . 71 LYS CB C 33.050 0.35 1 770 . 71 LYS HB3 H 1.740 0.02 1 771 . 71 LYS HB2 H 1.740 0.02 1 772 . 71 LYS CG C 24.980 0.35 1 773 . 71 LYS HG3 H 1.380 0.02 1 774 . 71 LYS HG2 H 1.380 0.02 1 775 . 71 LYS CD C 29.490 0.35 1 776 . 71 LYS HD3 H 1.620 0.02 1 777 . 71 LYS HD2 H 1.620 0.02 1 778 . 71 LYS CE C 43.450 0.35 1 779 . 71 LYS HE3 H 2.910 0.02 1 780 . 71 LYS HE2 H 2.910 0.02 1 781 . 71 LYS C C 176.050 0.35 1 782 . 72 ARG N N 122.290 0.10 1 783 . 72 ARG H H 8.420 0.02 1 784 . 72 ARG CA C 54.850 0.35 1 785 . 72 ARG HA H 4.550 0.02 1 786 . 72 ARG CB C 32.500 0.35 1 787 . 72 ARG HB3 H 1.700 0.02 2 788 . 72 ARG HB2 H 1.830 0.02 2 789 . 72 ARG CG C 24.740 0.35 1 790 . 72 ARG HG3 H 1.390 0.02 2 791 . 72 ARG HG2 H 1.570 0.02 2 792 . 72 ARG CD C 43.460 0.35 1 793 . 72 ARG HD3 H 3.160 0.02 1 794 . 72 ARG HD2 H 3.160 0.02 1 795 . 72 ARG C C 175.170 0.35 1 796 . 73 LYS N N 121.300 0.10 1 797 . 73 LYS H H 8.400 0.02 1 798 . 73 LYS CA C 55.450 0.35 1 799 . 73 LYS HA H 4.800 0.02 1 800 . 73 LYS CB C 34.630 0.35 1 801 . 73 LYS HB3 H 1.680 0.02 1 802 . 73 LYS HB2 H 1.680 0.02 1 803 . 73 LYS CG C 25.280 0.35 1 804 . 73 LYS HG3 H 1.260 0.02 2 805 . 73 LYS HG2 H 1.380 0.02 2 806 . 73 LYS CD C 29.330 0.35 1 807 . 73 LYS HD3 H 1.570 0.02 1 808 . 73 LYS HD2 H 1.570 0.02 1 809 . 73 LYS CE C 42.180 0.35 1 810 . 73 LYS HE3 H 2.940 0.02 1 811 . 73 LYS HE2 H 2.940 0.02 1 812 . 73 LYS C C 177.000 0.35 1 813 . 74 ASP N N 121.940 0.10 1 814 . 74 ASP H H 8.560 0.02 1 815 . 74 ASP CA C 53.010 0.35 1 816 . 74 ASP HA H 4.610 0.02 1 817 . 74 ASP CB C 41.090 0.35 1 818 . 74 ASP HB3 H 2.600 0.02 2 819 . 74 ASP HB2 H 3.100 0.02 2 820 . 74 ASP C C 177.380 0.35 1 821 . 75 ASN N N 116.360 0.10 1 822 . 75 ASN H H 8.410 0.02 1 823 . 75 ASN CA C 54.960 0.35 1 824 . 75 ASN HA H 4.500 0.02 1 825 . 75 ASN CB C 38.250 0.35 1 826 . 75 ASN HB3 H 2.820 0.02 1 827 . 75 ASN HB2 H 2.820 0.02 1 828 . 75 ASN CG C 177.000 0.35 1 829 . 75 ASN ND2 N 113.120 0.10 1 830 . 75 ASN HD21 H 7.630 0.02 2 831 . 75 ASN HD22 H 6.940 0.02 2 832 . 75 ASN C C 175.900 0.35 1 833 . 76 GLU N N 119.070 0.10 1 834 . 76 GLU H H 8.140 0.02 1 835 . 76 GLU CA C 56.420 0.35 1 836 . 76 GLU HA H 4.330 0.02 1 837 . 76 GLU CB C 30.300 0.35 1 838 . 76 GLU HB3 H 1.920 0.02 2 839 . 76 GLU HB2 H 2.190 0.02 2 840 . 76 GLU CG C 36.900 0.35 1 841 . 76 GLU HG3 H 2.190 0.02 1 842 . 76 GLU HG2 H 2.190 0.02 1 843 . 76 GLU C C 176.450 0.35 1 844 . 77 GLY N N 108.130 0.10 1 845 . 77 GLY H H 8.100 0.02 1 846 . 77 GLY CA C 45.420 0.35 1 847 . 77 GLY HA3 H 3.640 0.02 2 848 . 77 GLY HA2 H 4.160 0.02 2 849 . 77 GLY C C 174.140 0.35 1 850 . 78 ASN N N 119.830 0.10 1 851 . 78 ASN H H 8.530 0.02 1 852 . 78 ASN CA C 53.000 0.35 1 853 . 78 ASN HA H 4.700 0.02 1 854 . 78 ASN CB C 39.140 0.35 1 855 . 78 ASN HB3 H 2.640 0.02 2 856 . 78 ASN HB2 H 2.810 0.02 2 857 . 78 ASN ND2 N 117.080 0.10 1 858 . 78 ASN HD21 H 8.210 0.02 2 859 . 78 ASN HD22 H 7.050 0.02 2 860 . 78 ASN C C 175.050 0.35 1 861 . 79 GLU N N 121.590 0.10 1 862 . 79 GLU H H 8.690 0.02 1 863 . 79 GLU CA C 56.810 0.35 1 864 . 79 GLU CB C 30.670 0.35 1 865 . 82 PRO C C 176.790 0.35 1 866 . 83 LYS N N 122.110 0.10 1 867 . 83 LYS H H 8.300 0.02 1 868 . 84 PRO CA C 62.890 0.35 1 869 . 84 PRO HA H 4.270 0.02 1 870 . 84 PRO CB C 32.440 0.35 1 871 . 84 PRO HB3 H 1.770 0.02 2 872 . 84 PRO HB2 H 2.230 0.02 2 873 . 84 PRO CG C 27.460 0.35 1 874 . 84 PRO HG3 H 1.880 0.02 1 875 . 84 PRO HG2 H 1.880 0.02 1 876 . 84 PRO CD C 50.590 0.35 1 877 . 84 PRO HD3 H 3.600 0.02 2 878 . 84 PRO HD2 H 3.750 0.02 2 879 . 84 PRO C C 176.850 0.35 1 880 . 85 GLN N N 121.480 0.10 1 881 . 85 GLN H H 8.500 0.02 1 882 . 85 GLN CA C 56.230 0.35 1 883 . 85 GLN HA H 4.140 0.02 1 884 . 85 GLN CB C 29.900 0.35 1 885 . 85 GLN HB3 H 1.850 0.02 2 886 . 85 GLN HB2 H 1.890 0.02 2 887 . 85 GLN CG C 34.120 0.35 1 888 . 85 GLN HG3 H 2.260 0.02 2 889 . 85 GLN HG2 H 2.310 0.02 2 890 . 85 GLN CD C 180.200 0.35 1 891 . 85 GLN NE2 N 112.760 0.10 1 892 . 85 GLN HE21 H 7.600 0.02 2 893 . 85 GLN HE22 H 7.030 0.02 2 894 . 85 GLN C C 174.970 0.35 1 895 . 86 ARG N N 121.190 0.10 1 896 . 86 ARG H H 8.240 0.02 1 897 . 86 ARG CA C 54.890 0.35 1 898 . 86 ARG HA H 5.100 0.02 1 899 . 86 ARG CB C 33.410 0.35 1 900 . 86 ARG HB3 H 1.530 0.02 2 901 . 86 ARG HB2 H 1.630 0.02 2 902 . 86 ARG CG C 27.600 0.35 1 903 . 86 ARG HG3 H 1.450 0.02 2 904 . 86 ARG HG2 H 1.570 0.02 2 905 . 86 ARG CD C 43.810 0.35 1 906 . 86 ARG HD3 H 3.050 0.02 1 907 . 86 ARG HD2 H 3.050 0.02 1 908 . 86 ARG C C 174.890 0.35 1 909 . 87 HIS N N 121.590 0.10 1 910 . 87 HIS H H 8.690 0.02 1 911 . 87 HIS CA C 54.470 0.35 1 912 . 87 HIS HA H 4.710 0.02 1 913 . 87 HIS CB C 33.370 0.35 1 914 . 87 HIS HB3 H 2.740 0.02 2 915 . 87 HIS HB2 H 3.180 0.02 2 916 . 87 HIS CD2 C 118.500 0.35 1 917 . 87 HIS HD2 H 6.700 0.02 1 918 . 87 HIS CE1 C 139.300 0.35 1 919 . 87 HIS HE1 H 8.010 0.02 1 920 . 87 HIS C C 174.050 0.35 1 921 . 88 MET N N 125.270 0.10 1 922 . 88 MET H H 8.530 0.02 1 923 . 88 MET CA C 55.060 0.35 1 924 . 88 MET HA H 5.250 0.02 1 925 . 88 MET CB C 34.990 0.35 1 926 . 88 MET HB3 H 1.760 0.02 2 927 . 88 MET HB2 H 1.880 0.02 2 928 . 88 MET CG C 32.540 0.35 1 929 . 88 MET HG3 H 2.250 0.02 2 930 . 88 MET HG2 H 2.340 0.02 2 931 . 88 MET CE C 17.360 0.35 1 932 . 88 MET HE H 1.920 0.02 1 933 . 88 MET C C 173.550 0.35 1 934 . 89 PHE N N 122.030 0.10 1 935 . 89 PHE H H 8.930 0.02 1 936 . 89 PHE CA C 56.550 0.35 1 937 . 89 PHE HA H 5.110 0.02 1 938 . 89 PHE CB C 43.870 0.35 1 939 . 89 PHE HB3 H 2.580 0.02 1 940 . 89 PHE HB2 H 2.580 0.02 1 941 . 89 PHE CD1 C 131.400 0.35 1 942 . 89 PHE HD1 H 6.820 0.02 1 943 . 89 PHE HE1 H 6.640 0.02 1 944 . 89 PHE HZ H 6.580 0.02 1 945 . 89 PHE HE2 H 6.640 0.02 1 946 . 89 PHE CD2 C 131.400 0.35 1 947 . 89 PHE HD2 H 6.820 0.02 1 948 . 89 PHE C C 174.390 0.35 1 949 . 90 SER N N 116.890 0.10 1 950 . 90 SER H H 8.740 0.02 1 951 . 90 SER CA C 57.210 0.35 1 952 . 90 SER HA H 5.640 0.02 1 953 . 90 SER CB C 65.010 0.35 1 954 . 90 SER HB3 H 3.670 0.02 2 955 . 90 SER HB2 H 3.810 0.02 2 956 . 90 SER C C 172.980 0.35 1 957 . 91 PHE N N 119.970 0.10 1 958 . 91 PHE H H 8.740 0.02 1 959 . 91 PHE CA C 57.410 0.35 1 960 . 91 PHE HA H 4.880 0.02 1 961 . 91 PHE CB C 43.720 0.35 1 962 . 91 PHE HB3 H 2.760 0.02 2 963 . 91 PHE HB2 H 3.270 0.02 2 964 . 91 PHE CD1 C 132.600 0.35 1 965 . 91 PHE HD1 H 7.430 0.02 1 966 . 91 PHE HE1 H 7.070 0.02 1 967 . 91 PHE HZ H 6.760 0.02 1 968 . 91 PHE HE2 H 7.070 0.02 1 969 . 91 PHE CD2 C 132.600 0.35 1 970 . 91 PHE HD2 H 7.430 0.02 1 971 . 91 PHE C C 174.390 0.35 1 972 . 92 ASN N N 115.960 0.10 1 973 . 92 ASN H H 9.100 0.02 1 974 . 92 ASN CA C 52.460 0.35 1 975 . 92 ASN HA H 5.070 0.02 1 976 . 92 ASN CB C 40.020 0.35 1 977 . 92 ASN HB3 H 2.850 0.02 2 978 . 92 ASN HB2 H 2.880 0.02 2 979 . 92 ASN CG C 176.900 0.35 1 980 . 92 ASN ND2 N 111.400 0.10 1 981 . 92 ASN HD21 H 7.590 0.02 2 982 . 92 ASN HD22 H 6.790 0.02 2 983 . 92 ASN C C 174.720 0.35 1 984 . 93 ASN N N 118.480 0.10 1 985 . 93 ASN H H 7.250 0.02 1 986 . 93 ASN CA C 53.150 0.35 1 987 . 93 ASN HA H 4.870 0.02 1 988 . 93 ASN CB C 41.850 0.35 1 989 . 93 ASN HB3 H 2.820 0.02 2 990 . 93 ASN HB2 H 2.860 0.02 2 991 . 93 ASN CG C 176.400 0.35 1 992 . 93 ASN ND2 N 114.010 0.10 1 993 . 93 ASN HD21 H 7.880 0.02 2 994 . 93 ASN HD22 H 7.190 0.02 2 995 . 93 ASN C C 174.440 0.35 1 996 . 94 ARG N N 129.090 0.10 1 997 . 94 ARG H H 9.300 0.02 1 998 . 94 ARG CA C 59.380 0.35 1 999 . 94 ARG HA H 3.840 0.02 1 1000 . 94 ARG CB C 30.140 0.35 1 1001 . 94 ARG HB3 H 1.800 0.02 2 1002 . 94 ARG HB2 H 1.960 0.02 2 1003 . 94 ARG CG C 26.590 0.35 1 1004 . 94 ARG HG3 H 1.620 0.02 2 1005 . 94 ARG HG2 H 1.760 0.02 2 1006 . 94 ARG CD C 42.750 0.35 1 1007 . 94 ARG HD3 H 3.090 0.02 2 1008 . 94 ARG HD2 H 3.340 0.02 2 1009 . 94 ARG NE N 110.010 0.10 1 1010 . 94 ARG HE H 7.450 0.02 1 1011 . 94 ARG C C 176.700 0.35 1 1012 . 95 THR N N 115.710 0.10 1 1013 . 95 THR H H 7.970 0.02 1 1014 . 95 THR CA C 66.580 0.35 1 1015 . 95 THR HA H 3.960 0.02 1 1016 . 95 THR CB C 68.540 0.35 1 1017 . 95 THR HB H 4.300 0.02 1 1018 . 95 THR CG2 C 22.080 0.35 1 1019 . 95 THR HG2 H 1.240 0.02 1 1020 . 95 THR C C 176.530 0.35 1 1021 . 96 VAL N N 121.750 0.10 1 1022 . 96 VAL H H 7.550 0.02 1 1023 . 96 VAL CA C 66.070 0.35 1 1024 . 96 VAL HA H 3.760 0.02 1 1025 . 96 VAL CB C 32.290 0.35 1 1026 . 96 VAL HB H 2.320 0.02 1 1027 . 96 VAL CG2 C 22.190 0.35 1 1028 . 96 VAL HG2 H 1.190 0.02 1 1029 . 96 VAL CG1 C 21.460 0.35 1 1030 . 96 VAL HG1 H 1.260 0.02 1 1031 . 96 VAL C C 177.470 0.35 1 1032 . 97 MET N N 117.500 0.10 1 1033 . 97 MET H H 7.290 0.02 1 1034 . 97 MET CA C 59.770 0.35 1 1035 . 97 MET HA H 2.320 0.02 1 1036 . 97 MET CB C 32.480 0.35 1 1037 . 97 MET HB3 H 1.070 0.02 2 1038 . 97 MET HB2 H 1.920 0.02 2 1039 . 97 MET CG C 32.580 0.35 1 1040 . 97 MET HG3 H 1.510 0.02 2 1041 . 97 MET HG2 H 1.900 0.02 2 1042 . 97 MET CE C 17.800 0.35 5 1043 . 97 MET HE H 2.040 0.02 5 1044 . 97 MET C C 177.090 0.35 1 1045 . 98 ASP N N 118.090 0.10 1 1046 . 98 ASP H H 8.650 0.02 1 1047 . 98 ASP CA C 57.650 0.35 1 1048 . 98 ASP HA H 4.220 0.02 1 1049 . 98 ASP CB C 39.860 0.35 1 1050 . 98 ASP HB3 H 2.510 0.02 2 1051 . 98 ASP HB2 H 2.680 0.02 2 1052 . 98 ASP C C 178.910 0.35 1 1053 . 99 ASN N N 120.280 0.10 1 1054 . 99 ASN H H 8.090 0.02 1 1055 . 99 ASN CA C 56.170 0.35 1 1056 . 99 ASN HA H 4.410 0.02 1 1057 . 99 ASN CB C 38.430 0.35 1 1058 . 99 ASN HB3 H 2.720 0.02 2 1059 . 99 ASN HB2 H 2.990 0.02 2 1060 . 99 ASN CG C 176.300 0.35 1 1061 . 99 ASN ND2 N 111.500 0.10 1 1062 . 99 ASN HD21 H 7.400 0.02 2 1063 . 99 ASN HD22 H 6.930 0.02 2 1064 . 99 ASN C C 177.970 0.35 1 1065 . 100 ILE N N 121.000 0.10 1 1066 . 100 ILE H H 8.020 0.02 1 1067 . 100 ILE CA C 62.830 0.35 1 1068 . 100 ILE HA H 3.620 0.02 1 1069 . 100 ILE CB C 35.820 0.35 1 1070 . 100 ILE HB H 1.850 0.02 1 1071 . 100 ILE CG1 C 28.550 0.35 1 1072 . 100 ILE HG13 H 1.280 0.02 2 1073 . 100 ILE HG12 H 1.530 0.02 2 1074 . 100 ILE CD1 C 9.850 0.35 1 1075 . 100 ILE HD1 H 0.480 0.02 1 1076 . 100 ILE CG2 C 17.320 0.35 1 1077 . 100 ILE HG2 H 0.660 0.02 1 1078 . 100 ILE C C 177.480 0.35 1 1079 . 101 LYS N N 120.710 0.10 1 1080 . 101 LYS H H 8.860 0.02 1 1081 . 101 LYS CA C 60.530 0.35 1 1082 . 101 LYS HA H 3.590 0.02 1 1083 . 101 LYS CB C 32.710 0.35 1 1084 . 101 LYS HB3 H 1.780 0.02 2 1085 . 101 LYS HB2 H 2.000 0.02 2 1086 . 101 LYS CG C 24.470 0.35 1 1087 . 101 LYS HG3 H 1.270 0.02 2 1088 . 101 LYS HG2 H 1.310 0.02 2 1089 . 101 LYS CD C 29.490 0.35 1 1090 . 101 LYS HD3 H 1.490 0.02 2 1091 . 101 LYS HD2 H 1.610 0.02 2 1092 . 101 LYS CE C 41.580 0.35 1 1093 . 101 LYS HE3 H 2.830 0.02 1 1094 . 101 LYS HE2 H 2.830 0.02 1 1095 . 101 LYS C C 177.480 0.35 1 1096 . 102 MET N N 116.980 0.10 1 1097 . 102 MET H H 8.010 0.02 1 1098 . 102 MET CA C 58.790 0.35 1 1099 . 102 MET HA H 4.130 0.02 1 1100 . 102 MET CB C 32.180 0.35 1 1101 . 102 MET HB3 H 2.130 0.02 2 1102 . 102 MET HB2 H 2.210 0.02 2 1103 . 102 MET CG C 31.980 0.35 1 1104 . 102 MET HG3 H 2.600 0.02 2 1105 . 102 MET HG2 H 2.660 0.02 2 1106 . 102 MET CE C 16.850 0.35 1 1107 . 102 MET HE H 2.060 0.02 1 1108 . 102 MET C C 178.930 0.35 1 1109 . 103 THR N N 118.120 0.10 1 1110 . 103 THR H H 7.680 0.02 1 1111 . 103 THR CA C 66.340 0.35 1 1112 . 103 THR HA H 3.810 0.02 1 1113 . 103 THR CB C 68.220 0.35 1 1114 . 103 THR HB H 3.950 0.02 1 1115 . 103 THR CG2 C 22.330 0.35 1 1116 . 103 THR HG2 H 0.700 0.02 1 1117 . 103 THR C C 176.480 0.35 1 1118 . 104 LEU N N 119.270 0.10 1 1119 . 104 LEU H H 8.530 0.02 1 1120 . 104 LEU CA C 58.120 0.35 1 1121 . 104 LEU HA H 3.830 0.02 1 1122 . 104 LEU CB C 42.930 0.35 1 1123 . 104 LEU HB3 H 1.110 0.02 2 1124 . 104 LEU HB2 H 2.050 0.02 2 1125 . 104 LEU CG C 26.880 0.35 1 1126 . 104 LEU HG H 1.850 0.02 1 1127 . 104 LEU CD1 C 26.880 0.35 2 1128 . 104 LEU HD1 H 0.680 0.02 2 1129 . 104 LEU CD2 C 24.800 0.35 2 1130 . 104 LEU HD2 H 0.750 0.02 2 1131 . 104 LEU C C 178.310 0.35 1 1132 . 105 GLN N N 118.130 0.10 1 1133 . 105 GLN H H 8.750 0.02 1 1134 . 105 GLN CA C 59.250 0.35 1 1135 . 105 GLN HA H 3.890 0.02 1 1136 . 105 GLN CB C 28.570 0.35 1 1137 . 105 GLN HB3 H 2.080 0.02 2 1138 . 105 GLN HB2 H 2.240 0.02 2 1139 . 105 GLN CG C 34.320 0.35 1 1140 . 105 GLN HG3 H 2.370 0.02 2 1141 . 105 GLN HG2 H 2.440 0.02 2 1142 . 105 GLN CD C 179.800 0.35 1 1143 . 105 GLN NE2 N 111.900 0.10 1 1144 . 105 GLN HE21 H 7.390 0.02 2 1145 . 105 GLN HE22 H 6.850 0.02 2 1146 . 105 GLN C C 178.650 0.35 1 1147 . 106 GLN N N 118.120 0.10 1 1148 . 106 GLN H H 7.550 0.02 1 1149 . 106 GLN CA C 58.830 0.35 1 1150 . 106 GLN HA H 4.040 0.02 1 1151 . 106 GLN CB C 28.510 0.35 1 1152 . 106 GLN HB3 H 2.160 0.02 2 1153 . 106 GLN HB2 H 2.290 0.02 2 1154 . 106 GLN CG C 34.090 0.35 1 1155 . 106 GLN HG3 H 2.380 0.02 2 1156 . 106 GLN HG2 H 2.550 0.02 2 1157 . 106 GLN CD C 180.100 0.35 1 1158 . 106 GLN NE2 N 111.300 0.10 1 1159 . 106 GLN HE21 H 7.360 0.02 2 1160 . 106 GLN HE22 H 6.830 0.02 2 1161 . 106 GLN C C 178.560 0.35 1 1162 . 107 ILE N N 120.310 0.10 1 1163 . 107 ILE H H 7.750 0.02 1 1164 . 107 ILE CA C 65.670 0.35 1 1165 . 107 ILE HA H 3.440 0.02 1 1166 . 107 ILE CB C 39.130 0.35 1 1167 . 107 ILE HB H 1.680 0.02 1 1168 . 107 ILE CG1 C 28.780 0.35 1 1169 . 107 ILE HG13 H 0.850 0.02 2 1170 . 107 ILE HG12 H 1.890 0.02 2 1171 . 107 ILE CD1 C 15.920 0.35 1 1172 . 107 ILE HD1 H 0.590 0.02 1 1173 . 107 ILE CG2 C 19.060 0.35 1 1174 . 107 ILE HG2 H 0.810 0.02 1 1175 . 107 ILE C C 177.590 0.35 1 1176 . 108 ILE N N 117.080 0.10 1 1177 . 108 ILE H H 8.730 0.02 1 1178 . 108 ILE CA C 65.700 0.35 1 1179 . 108 ILE HA H 3.810 0.02 1 1180 . 108 ILE CB C 38.320 0.35 1 1181 . 108 ILE HB H 1.870 0.02 1 1182 . 108 ILE CG1 C 29.000 0.35 1 1183 . 108 ILE HG13 H 1.250 0.02 2 1184 . 108 ILE HG12 H 1.650 0.02 2 1185 . 108 ILE CD1 C 15.300 0.35 1 1186 . 108 ILE HD1 H 0.700 0.02 1 1187 . 108 ILE CG2 C 17.270 0.35 1 1188 . 108 ILE HG2 H 0.900 0.02 1 1189 . 108 ILE C C 179.220 0.35 1 1190 . 109 SER N N 114.650 0.10 1 1191 . 109 SER H H 7.840 0.02 1 1192 . 109 SER CA C 61.740 0.35 1 1193 . 109 SER HA H 4.190 0.02 1 1194 . 109 SER CB C 62.940 0.35 1 1195 . 109 SER HB3 H 3.990 0.02 1 1196 . 109 SER HB2 H 3.990 0.02 1 1197 . 109 SER C C 175.870 0.35 1 1198 . 110 ARG N N 121.110 0.10 1 1199 . 110 ARG H H 7.540 0.02 1 1200 . 110 ARG CA C 58.590 0.35 1 1201 . 110 ARG HA H 4.080 0.02 1 1202 . 110 ARG CB C 29.890 0.35 1 1203 . 110 ARG HB3 H 1.610 0.02 1 1204 . 110 ARG HB2 H 1.610 0.02 1 1205 . 110 ARG CG C 27.000 0.35 1 1206 . 110 ARG HG3 H 1.480 0.02 2 1207 . 110 ARG HG2 H 1.640 0.02 2 1208 . 110 ARG CD C 44.010 0.35 1 1209 . 110 ARG HD3 H 2.960 0.02 2 1210 . 110 ARG HD2 H 3.120 0.02 2 1211 . 110 ARG NE N 111.090 0.10 1 1212 . 110 ARG HE H 7.040 0.02 1 1213 . 110 ARG C C 178.350 0.35 1 1214 . 111 TYR N N 117.120 0.10 1 1215 . 111 TYR H H 7.410 0.02 1 1216 . 111 TYR CA C 57.710 0.35 1 1217 . 111 TYR HA H 4.750 0.02 1 1218 . 111 TYR CB C 37.610 0.35 1 1219 . 111 TYR HB3 H 3.020 0.02 2 1220 . 111 TYR HB2 H 3.370 0.02 2 1221 . 111 TYR CD1 C 132.600 0.35 1 1222 . 111 TYR HD1 H 7.080 0.02 1 1223 . 111 TYR CE1 C 117.900 0.35 1 1224 . 111 TYR HE1 H 6.700 0.02 1 1225 . 111 TYR CE2 C 117.900 0.35 1 1226 . 111 TYR HE2 H 6.700 0.02 1 1227 . 111 TYR CD2 C 132.600 0.35 1 1228 . 111 TYR HD2 H 7.080 0.02 1 1229 . 111 TYR C C 176.810 0.35 1 1230 . 112 LYS N N 120.990 0.10 1 1231 . 112 LYS H H 7.720 0.02 1 1232 . 112 LYS CA C 57.450 0.35 1 1233 . 112 LYS HA H 4.340 0.02 1 1234 . 112 LYS CB C 32.960 0.35 1 1235 . 112 LYS HB3 H 1.910 0.02 1 1236 . 112 LYS HB2 H 1.910 0.02 1 1237 . 112 LYS CG C 24.680 0.35 1 1238 . 112 LYS HG3 H 1.560 0.02 2 1239 . 112 LYS HG2 H 1.610 0.02 2 1240 . 112 LYS CD C 29.130 0.35 1 1241 . 112 LYS HD3 H 1.780 0.02 1 1242 . 112 LYS HD2 H 1.780 0.02 1 1243 . 112 LYS CE C 42.170 0.35 1 1244 . 112 LYS HE3 H 3.070 0.02 1 1245 . 112 LYS HE2 H 3.070 0.02 1 1246 . 112 LYS C C 177.200 0.35 1 1247 . 113 ASP N N 120.860 0.10 1 1248 . 113 ASP H H 8.320 0.02 1 1249 . 113 ASP CA C 54.990 0.35 1 1250 . 113 ASP HA H 4.590 0.02 1 1251 . 113 ASP CB C 41.100 0.35 1 1252 . 113 ASP HB3 H 2.690 0.02 2 1253 . 113 ASP HB2 H 2.730 0.02 2 1254 . 113 ASP C C 176.640 0.35 1 1255 . 114 ALA N N 123.630 0.10 1 1256 . 114 ALA H H 8.040 0.02 1 1257 . 114 ALA CA C 53.100 0.35 1 1258 . 114 ALA HA H 4.300 0.02 1 1259 . 114 ALA CB C 19.220 0.35 1 1260 . 114 ALA HB H 1.440 0.02 1 1261 . 114 ALA C C 177.940 0.35 1 1262 . 115 ASP N N 119.250 0.10 1 1263 . 115 ASP H H 8.210 0.02 1 1264 . 115 ASP CA C 54.720 0.35 1 1265 . 115 ASP HA H 4.600 0.02 1 1266 . 115 ASP CB C 41.370 0.35 1 1267 . 115 ASP HB3 H 2.720 0.02 1 1268 . 115 ASP HB2 H 2.720 0.02 1 1269 . 115 ASP C C 177.000 0.35 1 1270 . 116 GLY N N 108.950 0.10 1 1271 . 116 GLY H H 8.240 0.02 1 1272 . 116 GLY CA C 45.600 0.35 1 1273 . 116 GLY HA3 H 3.950 0.02 1 1274 . 116 GLY HA2 H 3.950 0.02 1 1275 . 116 GLY C C 174.300 0.35 1 1276 . 117 ASN N N 118.820 0.10 1 1277 . 117 ASN H H 8.320 0.02 1 1278 . 117 ASN CA C 53.590 0.35 1 1279 . 117 ASN HA H 4.800 0.02 1 1280 . 117 ASN CB C 39.310 0.35 1 1281 . 117 ASN HB3 H 2.770 0.02 2 1282 . 117 ASN HB2 H 2.840 0.02 2 1283 . 117 ASN CG C 177.200 0.35 1 1284 . 117 ASN ND2 N 113.510 0.10 1 1285 . 117 ASN HD21 H 7.640 0.02 2 1286 . 117 ASN HD22 H 6.930 0.02 2 1287 . 117 ASN C C 175.290 0.35 1 1288 . 118 SER N N 116.650 0.10 1 1289 . 118 SER H H 8.320 0.02 1 1290 . 118 SER CA C 58.500 0.35 1 1291 . 118 SER HA H 4.520 0.02 1 1292 . 118 SER CB C 64.060 0.35 1 1293 . 118 SER HB3 H 3.870 0.02 1 1294 . 118 SER HB2 H 3.900 0.02 1 1295 . 118 SER C C 173.730 0.35 1 1296 . 119 SER N N 123.300 0.10 1 1297 . 119 SER H H 8.010 0.02 1 1298 . 119 SER CA C 60.100 0.35 1 1299 . 119 SER HA H 4.270 0.02 1 1300 . 119 SER CB C 64.840 0.35 1 1301 . 119 SER HB3 H 3.820 0.02 1 1302 . 119 SER HB2 H 3.820 0.02 1 stop_ save_