data_4901 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C assignments of the N-terminal domain of the human TFIIH p62 subunit ; _BMRB_accession_number 4901 _BMRB_flat_file_name bmr4901.str _Entry_type original _Submission_date 2000-11-22 _Accession_date 2000-11-22 _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 Gervais Virginie . . 2 Lamour Valerie . . 3 Gaudin Florence . . 4 Thierry Jean-Claude . . 5 Kieffer Bruno . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 607 "13C chemical shifts" 316 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-04-26 original author . stop_ _Original_release_date 2001-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N, 13C resonances of the N-terminal domain of the human TFIIH p62 subunit ; _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 Gervais Virginie . . 2 Lamour Valerie . . 3 Gaudin Florence . . 4 Thierry Jean-Claude . . 5 Kieffer Bruno . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 281 _Page_last 282 _Year 2001 _Details . loop_ _Keyword p62 'transcription factor' TFIIH 'heteronuclear NMR' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full ; Fischer L, Gerard M, Chalut C, Lutz Y, Humbert S, Kanno M, Chambon P, Egly JM. Cloning of the 62-kilodalton component of basic transcription factor BTF2. Science. 1992 Sep 4;257(5075):1392-5. ; _Citation_title 'Cloning of the 62-kilodalton component of basic transcription factor BTF2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1529339 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fischer L. . . 2 Gerard M. . . 3 Chalut C. . . 4 Lutz Y. . . 5 Humbert S. . . 6 Kanno M. . . 7 Chambon P. . . 8 Egly J.M. M. . stop_ _Journal_abbreviation Science _Journal_name_full 'Science (New York, N.Y.)' _Journal_volume 257 _Journal_issue 5075 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1392 _Page_last 1395 _Year 1992 _Details ; Cloning of the mammalian basic transcription factors serves as a major step in understanding the mechanism of transcription initiation. The 62-kilodalton component (p62) of one of these transcription factors, BTF2 was cloned and overexpressed. A monoclonal antibody to this polypeptide inhibited transcription in vitro. Immunoaffinity experiments demonstrated that the 62-kilodalton component is closely associated with the other polypeptides present in the BTF2 factor. Sequence similarity suggests that BTF2 may be the human counterpart of RNA polymerase II initiation factor b from yeast. ; save_ save_reference_2 _Saveframe_category citation _Citation_full . _Citation_title ; The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. ; _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 Bartels C. . . 2 Xia T.-H. . . 3 Billeter Martin . . 4 Guntert Peter . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1 _Page_last 10 _Year 1995 _Details . loop_ _Keyword 'spectrum analysis' software stop_ save_ ################################## # Molecular system description # ################################## save_system_p62_Tfb1 _Saveframe_category molecular_system _Mol_system_name 'p62 N-terminal domain' _Abbreviation_common p62/Tfb1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p62 monomer' $p62_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p62_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human TFIIH p62 subunit' _Abbreviation_common p62/Tfb1 _Molecular_mass 12432 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; GSMATSSEEVLLIVKKVRQK KQDGALYLMAERIAWAPEGK DRFTISHMYADIKCQKISPE GKAKIQLQLVLHAGDTTNFH FSNESTAVKERDAVKDLLQQ LLPKFKRKAN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 ALA 5 THR 6 SER 7 SER 8 GLU 9 GLU 10 VAL 11 LEU 12 LEU 13 ILE 14 VAL 15 LYS 16 LYS 17 VAL 18 ARG 19 GLN 20 LYS 21 LYS 22 GLN 23 ASP 24 GLY 25 ALA 26 LEU 27 TYR 28 LEU 29 MET 30 ALA 31 GLU 32 ARG 33 ILE 34 ALA 35 TRP 36 ALA 37 PRO 38 GLU 39 GLY 40 LYS 41 ASP 42 ARG 43 PHE 44 THR 45 ILE 46 SER 47 HIS 48 MET 49 TYR 50 ALA 51 ASP 52 ILE 53 LYS 54 CYS 55 GLN 56 LYS 57 ILE 58 SER 59 PRO 60 GLU 61 GLY 62 LYS 63 ALA 64 LYS 65 ILE 66 GLN 67 LEU 68 GLN 69 LEU 70 VAL 71 LEU 72 HIS 73 ALA 74 GLY 75 ASP 76 THR 77 THR 78 ASN 79 PHE 80 HIS 81 PHE 82 SER 83 ASN 84 GLU 85 SER 86 THR 87 ALA 88 VAL 89 LYS 90 GLU 91 ARG 92 ASP 93 ALA 94 VAL 95 LYS 96 ASP 97 LEU 98 LEU 99 GLN 100 GLN 101 LEU 102 LEU 103 PRO 104 LYS 105 PHE 106 LYS 107 ARG 108 LYS 109 ALA 110 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1PFJ "Solution Structure Of The N-Terminal PhPTB DOMAIN OF THE Tfiih P62 Subunit" 98.18 108 100.00 100.00 6.42e-73 PDB 2RNR "Solution Structure Of The Complex Between Tfiie Alpha C- Terminal Acidic Domain And Tfiih P62 Ph Domain" 100.00 110 100.00 100.00 1.47e-74 PDB 2RUK "Solution Structure Of The Complex Between P53 Transactivation Domain 2 And Tfiih P62 Ph Domain" 100.00 110 100.00 100.00 1.47e-74 DBJ BAB15621 "unnamed protein product [Homo sapiens]" 98.18 548 100.00 100.00 4.32e-68 DBJ BAB23789 "unnamed protein product [Mus musculus]" 98.18 547 100.00 100.00 4.81e-68 DBJ BAE02479 "unnamed protein product [Macaca fascicularis]" 98.18 537 100.00 100.00 3.31e-68 DBJ BAG10896 "TFIIH basal transcription factor complex p62 subunit [synthetic construct]" 98.18 548 100.00 100.00 4.51e-68 DBJ BAG35811 "unnamed protein product [Homo sapiens]" 98.18 548 100.00 100.00 4.85e-68 EMBL CAA05340 "62 kDa subunit of TFIIH [Mus musculus]" 98.18 547 100.00 100.00 5.01e-68 EMBL CAG33649 "GTF2H1 [Homo sapiens]" 98.18 548 100.00 100.00 4.51e-68 GB AAA58399 "basic transcription factor 62kD subunit [Homo sapiens]" 98.18 548 100.00 100.00 4.51e-68 GB AAB23294 "basic transcription factor 2 62 kda component, BTF2 p62 subunit=RNA polymerase II initiation factor b homolog [human, HeLa cell" 98.18 548 100.00 100.00 4.51e-68 GB AAH00365 "General transcription factor IIH, polypeptide 1, 62kDa [Homo sapiens]" 98.18 548 100.00 100.00 4.51e-68 GB AAH04452 "General transcription factor IIH, polypeptide 1, 62kDa [Homo sapiens]" 98.18 548 100.00 100.00 4.51e-68 GB AAH52837 "Gtf2h1 protein [Mus musculus]" 74.55 521 100.00 100.00 9.98e-50 REF NP_001039615 "general transcription factor IIH subunit 1 [Bos taurus]" 74.55 522 100.00 100.00 1.11e-49 REF NP_001101955 "general transcription factor IIH subunit 1 [Rattus norvegicus]" 98.18 516 100.00 100.00 2.61e-68 REF NP_001135779 "general transcription factor IIH subunit 1 [Homo sapiens]" 98.18 548 100.00 100.00 4.51e-68 REF NP_001186521 "general transcription factor IIH subunit 1 [Gallus gallus]" 98.18 548 99.07 100.00 1.06e-67 REF NP_001271594 "uncharacterized protein LOC101867170 [Macaca fascicularis]" 98.18 537 100.00 100.00 3.31e-68 SP P32780 "RecName: Full=General transcription factor IIH subunit 1; AltName: Full=Basic transcription factor 2 62 kDa subunit; Short=BTF2" 98.18 548 100.00 100.00 4.51e-68 SP Q9DBA9 "RecName: Full=General transcription factor IIH subunit 1; AltName: Full=Basic transcription factor 2 62 kDa subunit; Short=BTF2" 98.18 547 100.00 100.00 5.01e-68 TPG DAA13968 "TPA: general transcription factor IIH, polypeptide 1, 62kDa [Bos taurus]" 74.55 522 100.00 100.00 1.11e-49 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Plasmid _Gene_mnemonic $p62_monomer Human 9606 Eukaryota Metazoa Homo sapiens pGEX-4T2 'BTF2 p62' 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 $p62_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'The isotope labeling is over 98%.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p62_monomer 1.5 mM '[13C; U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p62_monomer 2.4 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 95 loop_ _Task 'spectra processing' stop_ _Details 'Molecular Simulations Inc.' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.10 loop_ _Task 'spectra assignment' stop_ _Details . _Citation_label $reference_2 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_15N-TOCSY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _Sample_label . save_ save_15N-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label . save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_2D_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 n/a temperature 293 0.1 K pressure 1 . atm 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 . . . . 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 $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p62 monomer' _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 . 4 ALA H H 8.38 0.02 1 2 . 4 ALA HA H 4.48 0.02 1 3 . 4 ALA HB H 1.60 0.02 1 4 . 4 ALA CA C 52.77 0.25 1 5 . 4 ALA CB C 19.75 0.25 1 6 . 4 ALA N N 124.60 0.1 1 7 . 5 THR H H 8.31 0.02 1 8 . 5 THR HA H 4.32 0.02 1 9 . 5 THR HB H 3.65 0.02 1 10 . 5 THR HG2 H 1.39 0.02 1 11 . 5 THR CA C 63.23 0.25 1 12 . 5 THR CB C 68.88 0.25 1 13 . 5 THR CG2 C 20.90 0.25 1 14 . 5 THR N N 112.3 0.1 1 15 . 6 SER H H 8.84 0.02 1 16 . 6 SER HA H 5.09 0.02 1 17 . 6 SER HB2 H 2.65 0.02 1 18 . 6 SER HB3 H 2.11 0.02 1 19 . 6 SER CA C 62.67 0.25 1 20 . 6 SER CB C 70.84 0.25 1 21 . 6 SER N N 125.9 0.1 1 22 . 7 SER H H 8.41 0.02 1 23 . 7 SER HA H 4.53 0.02 1 24 . 7 SER HB2 H 4.01 0.02 1 25 . 7 SER HB3 H 4.01 0.02 1 26 . 7 SER CA C 58.26 0.25 1 27 . 7 SER CB C 63.23 0.25 1 28 . 7 SER N N 116.60 0.1 1 29 . 8 GLU H H 8.15 0.02 1 30 . 8 GLU HA H 4.34 0.02 1 31 . 8 GLU HB2 H 2.07 0.02 1 32 . 8 GLU HB3 H 2.16 0.02 1 33 . 8 GLU HG2 H 2.37 0.02 1 34 . 8 GLU HG3 H 2.42 0.02 1 35 . 8 GLU CA C 56.40 0.25 1 36 . 8 GLU CB C 30.31 0.25 1 37 . 8 GLU CG C 32.17 0.25 1 38 . 8 GLU N N 123.78 0.1 1 39 . 9 GLU H H 8.77 0.02 1 40 . 9 GLU HA H 4.28 0.02 1 41 . 9 GLU HB2 H 2.00 0.02 1 42 . 9 GLU HB3 H 2.13 0.02 1 43 . 9 GLU HG2 H 2.37 0.02 1 44 . 9 GLU HG3 H 2.42 0.02 1 45 . 9 GLU CA C 57.02 0.25 1 46 . 9 GLU CB C 29.69 0.25 1 47 . 9 GLU CG C 35.28 0.25 1 48 . 9 GLU N N 126.09 0.1 1 49 . 10 VAL H H 8.63 0.02 1 50 . 10 VAL HA H 4.35 0.02 1 51 . 10 VAL HB H 2.18 0.02 1 52 . 10 VAL HG1 H 1.20 0.02 1 53 . 10 VAL HG2 H 1.01 0.02 1 54 . 10 VAL CA C 61.99 0.25 1 55 . 10 VAL CB C 33.41 0.25 1 56 . 10 VAL CG1 C 20.99 0.25 1 57 . 10 VAL CG2 C 21.61 0.25 1 58 . 10 VAL N N 124.96 0.1 1 59 . 11 LEU H H 9.69 0.02 1 60 . 11 LEU HA H 4.47 0.02 1 61 . 11 LEU HB2 H 1.80 0.02 1 62 . 11 LEU HB3 H 1.57 0.02 1 63 . 11 LEU HG H 1.19 0.02 1 64 . 11 LEU HD1 H 0.88 0.02 1 65 . 11 LEU HD2 H 0.84 0.02 1 66 . 11 LEU CA C 55.16 0.25 1 67 . 11 LEU CB C 42.11 0.25 1 68 . 11 LEU CG C 27.82 0.25 1 69 . 11 LEU CD1 C 26.58 0.25 1 70 . 11 LEU CD2 C 25.96 0.25 1 71 . 11 LEU N N 127.63 0.1 1 72 . 12 LEU H H 7.82 0.02 1 73 . 12 LEU HA H 4.50 0.02 1 74 . 12 LEU HB2 H 1.63 0.02 1 75 . 12 LEU HB3 H 1.54 0.02 1 76 . 12 LEU HG H 1.07 0.02 1 77 . 12 LEU HD1 H 0.89 0.02 1 78 . 12 LEU HD2 H 0.84 0.02 1 79 . 12 LEU CA C 55.98 0.25 1 80 . 12 LEU CB C 45.84 0.25 1 81 . 12 LEU CG C 26.58 0.25 1 82 . 12 LEU CD1 C 24.96 0.25 1 83 . 12 LEU CD2 C 25.34 0.25 1 84 . 12 LEU N N 119.03 0.1 1 85 . 13 ILE H H 8.21 0.02 1 86 . 13 ILE HA H 4.84 0.02 1 87 . 13 ILE HB H 1.35 0.02 1 88 . 13 ILE HG12 H 0.80 0.02 1 89 . 13 ILE HG13 H 0.80 0.02 1 90 . 13 ILE HG2 H 0.28 0.02 1 91 . 13 ILE HD1 H 0.27 0.02 1 92 . 13 ILE CA C 60.13 0.25 1 93 . 13 ILE CB C 40.87 0.25 1 94 . 13 ILE CG1 C 25.96 0.25 1 95 . 13 ILE CG2 C 16.02 0.25 1 96 . 13 ILE CD1 C 14.15 0.25 1 97 . 13 ILE N N 124.89 0.1 1 98 . 14 VAL H H 9.40 0.02 1 99 . 14 VAL HA H 4.37 0.02 1 100 . 14 VAL HB H 1.94 0.02 1 101 . 14 VAL HG1 H 1.21 0.02 1 102 . 14 VAL HG2 H 0.91 0.02 1 103 . 14 VAL CA C 61.37 0.25 1 104 . 14 VAL CB C 34.03 0.25 1 105 . 14 VAL CG1 C 21.61 0.25 1 106 . 14 VAL CG2 C 20.37 0.25 1 107 . 14 VAL N N 127.82 0.1 1 108 . 15 LYS H H 8.77 0.02 1 109 . 15 LYS HA H 4.49 0.02 1 110 . 15 LYS HB2 H 1.98 0.02 1 111 . 15 LYS HB3 H 1.87 0.02 1 112 . 15 LYS HG2 H 1.55 0.02 1 113 . 15 LYS HG3 H 1.52 0.02 1 114 . 15 LYS HD2 H 1.63 0.02 1 115 . 15 LYS HD3 H 1.63 0.02 1 116 . 15 LYS HE2 H 3.06 0.02 1 117 . 15 LYS HE3 H 3.06 0.02 1 118 . 15 LYS CA C 56.40 0.25 1 119 . 15 LYS CB C 33.41 0.25 1 120 . 15 LYS CG C 24.72 0.25 1 121 . 15 LYS CD C 28.44 0.25 1 122 . 15 LYS CE C 40.87 0.25 1 123 . 15 LYS N N 124.93 0.1 1 124 . 16 LYS H H 8.82 0.02 1 125 . 16 LYS HA H 4.27 0.02 1 126 . 16 LYS HB2 H 2.18 0.02 1 127 . 16 LYS HB3 H 2.09 0.02 1 128 . 16 LYS HG2 H 1.89 0.02 1 129 . 16 LYS HG3 H 1.89 0.02 1 130 . 16 LYS HD2 H 1.97 0.02 1 131 . 16 LYS HD3 H 1.97 0.02 1 132 . 16 LYS HE2 H 2.89 0.02 1 133 . 16 LYS HE3 H 2.89 0.02 1 134 . 16 LYS CA C 57.64 0.25 1 135 . 16 LYS CB C 28.44 0.25 1 136 . 16 LYS CG C 25.34 0.25 1 137 . 16 LYS CD C 25.96 0.25 1 138 . 16 LYS CE C 41.70 0.25 1 139 . 16 LYS N N 115.79 0.1 1 140 . 17 VAL H H 8.38 0.02 1 141 . 17 VAL HA H 4.66 0.02 1 142 . 17 VAL HB H 1.68 0.02 1 143 . 17 VAL HG1 H 0.52 0.02 1 144 . 17 VAL HG2 H 0.52 0.02 1 145 . 17 VAL CA C 61.37 0.25 1 146 . 17 VAL CB C 32.80 0.25 1 147 . 17 VAL CG1 C 22.23 0.25 1 148 . 17 VAL N N 121.18 0.1 1 149 . 18 ARG H H 10.06 0.02 1 150 . 18 ARG HA H 5.74 0.02 1 151 . 18 ARG HB2 H 1.95 0.02 2 152 . 18 ARG HB3 H 1.63 0.02 2 153 . 18 ARG HG2 H 1.58 0.02 1 154 . 18 ARG HG3 H 1.58 0.02 1 155 . 18 ARG HD2 H 3.08 0.02 1 156 . 18 ARG HD3 H 3.08 0.02 1 157 . 18 ARG CA C 55.86 0.25 1 158 . 18 ARG CB C 32.79 0.25 1 159 . 18 ARG CG C 27.82 0.25 1 160 . 18 ARG CD C 41.49 0.25 1 161 . 18 ARG N N 129.76 0.1 1 162 . 19 GLN H H 8.33 0.02 1 163 . 19 GLN HA H 4.33 0.02 1 164 . 19 GLN HB2 H 0.63 0.02 1 165 . 19 GLN HB3 H 0.38 0.02 1 166 . 19 GLN HG2 H 1.69 0.02 1 167 . 19 GLN HG3 H 1.69 0.02 1 168 . 19 GLN HE21 H 6.88 0.02 1 169 . 19 GLN HE22 H 5.67 0.02 1 170 . 19 GLN CA C 55.78 0.25 1 171 . 19 GLN CB C 28.44 0.25 1 172 . 19 GLN CG C 29.69 0.25 1 173 . 19 GLN N N 122.72 0.1 1 174 . 19 GLN NE2 N 109.72 0.1 1 175 . 20 LYS H H 9.54 0.02 1 176 . 20 LYS HA H 3.83 0.02 1 177 . 20 LYS HB2 H 1.99 0.02 1 178 . 20 LYS HB3 H 1.77 0.02 1 179 . 20 LYS HG2 H 1.55 0.02 1 180 . 20 LYS HG3 H 1.55 0.02 1 181 . 20 LYS HD2 H 1.43 0.02 1 182 . 20 LYS HD3 H 1.43 0.02 1 183 . 20 LYS HE2 H 3.09 0.02 1 184 . 20 LYS HE3 H 3.09 0.02 1 185 . 20 LYS CA C 58.26 0.25 1 186 . 20 LYS CB C 27.82 0.25 1 187 . 20 LYS CG C 23.47 0.25 1 188 . 20 LYS CD C 30.21 0.25 1 189 . 20 LYS CE C 38.38 0.25 1 190 . 20 LYS N N 126.29 0.1 1 191 . 21 LYS H H 8.87 0.02 1 192 . 21 LYS HA H 3.83 0.02 1 193 . 21 LYS HB2 H 2.11 0.02 1 194 . 21 LYS HB3 H 2.11 0.02 1 195 . 21 LYS HG2 H 1.41 0.02 1 196 . 21 LYS HG3 H 1.41 0.02 1 197 . 21 LYS HD2 H 1.77 0.02 1 198 . 21 LYS HD3 H 1.77 0.02 1 199 . 21 LYS CA C 58.26 0.25 1 200 . 21 LYS CB C 31.21 0.25 1 201 . 21 LYS CG C 28.44 0.25 1 202 . 21 LYS CD C 25.96 0.25 1 203 . 21 LYS N N 111.06 0.1 1 204 . 22 GLN H H 7.87 0.02 1 205 . 22 GLN HA H 4.85 0.02 1 206 . 22 GLN HB2 H 2.53 0.02 1 207 . 22 GLN HB3 H 2.49 0.02 1 208 . 22 GLN HG2 H 2.72 0.02 1 209 . 22 GLN HG3 H 2.68 0.02 1 210 . 22 GLN HE21 H 7.78 0.02 1 211 . 22 GLN HE22 H 7.10 0.02 1 212 . 22 GLN CA C 54.54 0.25 1 213 . 22 GLN CB C 30.93 0.25 1 214 . 22 GLN CG C 34.03 0.25 1 215 . 22 GLN N N 118.97 0.1 1 216 . 22 GLN NE2 N 112.03 0.1 1 217 . 23 ASP H H 8.97 0.02 1 218 . 23 ASP HA H 4.78 0.02 1 219 . 23 ASP HB2 H 2.73 0.02 1 220 . 23 ASP HB3 H 2.61 0.02 1 221 . 23 ASP CA C 55.78 0.25 1 222 . 23 ASP CB C 42.11 0.25 1 223 . 23 ASP N N 123.11 0.1 1 224 . 24 GLY H H 7.96 0.02 1 225 . 24 GLY HA2 H 4.16 0.02 1 226 . 24 GLY HA3 H 4.03 0.02 1 227 . 24 GLY CA C 45.22 0.25 1 228 . 24 GLY N N 111.74 0.1 1 229 . 25 ALA H H 7.91 0.02 1 230 . 25 ALA HA H 5.22 0.02 1 231 . 25 ALA HB H 1.32 0.02 1 232 . 25 ALA CA C 50.19 0.25 1 233 . 25 ALA CB C 20.99 0.25 1 234 . 25 ALA N N 121.08 0.1 1 235 . 26 LEU H H 9.19 0.02 1 236 . 26 LEU HA H 5.02 0.02 1 237 . 26 LEU HB2 H 1.90 0.02 1 238 . 26 LEU HB3 H 1.90 0.02 1 239 . 26 LEU HG H 0.97 0.02 1 240 . 26 LEU HD1 H 0.59 0.02 1 241 . 26 LEU HD2 H 0.25 0.02 1 242 . 26 LEU CA C 53.29 0.25 1 243 . 26 LEU CB C 42.73 0.25 1 244 . 26 LEU CG C 25.95 0.25 1 245 . 26 LEU CD1 C 26.58 0.25 1 246 . 26 LEU CD2 C 22.85 0.25 1 247 . 26 LEU N N 123.71 0.1 1 248 . 27 TYR H H 9.72 0.02 1 249 . 27 TYR HA H 5.08 0.02 1 250 . 27 TYR HB2 H 2.84 0.02 1 251 . 27 TYR HB3 H 2.78 0.02 1 252 . 27 TYR HD1 H 7.20 0.02 1 253 . 27 TYR HD2 H 7.20 0.02 1 254 . 27 TYR HE1 H 7.06 0.02 1 255 . 27 TYR HE2 H 7.06 0.02 1 256 . 27 TYR CA C 56.40 0.25 1 257 . 27 TYR CB C 40.87 0.25 1 258 . 27 TYR N N 125.24 0.1 1 259 . 28 LEU H H 9.40 0.02 1 260 . 28 LEU HA H 4.91 0.02 1 261 . 28 LEU HB2 H 1.97 0.02 1 262 . 28 LEU HB3 H 1.88 0.02 1 263 . 28 LEU HG H 1.78 0.02 1 264 . 28 LEU HD1 H 1.12 0.02 1 265 . 28 LEU HD2 H 1.07 0.02 1 266 . 28 LEU CA C 57.02 0.25 1 267 . 28 LEU CB C 40.87 0.25 1 268 . 28 LEU CG C 30.93 0.25 1 269 . 28 LEU CD1 C 25.96 0.25 1 270 . 28 LEU N N 124.36 0.1 1 271 . 29 MET H H 9.02 0.02 1 272 . 29 MET HA H 5.43 0.02 1 273 . 29 MET HB2 H 2.37 0.02 1 274 . 29 MET HB3 H 2.16 0.02 1 275 . 29 MET HG2 H 2.69 0.02 1 276 . 29 MET HG3 H 2.60 0.02 1 277 . 29 MET CA C 53.29 0.25 1 278 . 29 MET CB C 32.79 0.25 1 279 . 29 MET CG C 33.41 0.25 1 280 . 29 MET N N 122.01 0.1 1 281 . 30 ALA H H 8.09 0.02 1 282 . 30 ALA HA H 4.29 0.02 1 283 . 30 ALA HB H 1.78 0.02 1 284 . 30 ALA CA C 56.40 0.25 1 285 . 30 ALA CB C 19.75 0.25 1 286 . 30 ALA N N 120.89 0.1 1 287 . 31 GLU H H 8.77 0.02 1 288 . 31 GLU HA H 4.38 0.02 1 289 . 31 GLU HB2 H 2.35 0.02 1 290 . 31 GLU HB3 H 1.84 0.02 1 291 . 31 GLU HG2 H 2.38 0.02 1 292 . 31 GLU HG3 H 2.22 0.02 1 293 . 31 GLU CA C 55.16 0.25 1 294 . 31 GLU CB C 30.93 0.25 1 295 . 31 GLU CG C 35.28 0.25 1 296 . 31 GLU N N 107.31 0.1 1 297 . 32 ARG H H 6.69 0.02 1 298 . 32 ARG HA H 3.94 0.02 1 299 . 32 ARG HB2 H 1.12 0.02 1 300 . 32 ARG HB3 H 1.07 0.02 1 301 . 32 ARG HG2 H 1.07 0.02 1 302 . 32 ARG HG3 H 0.85 0.02 1 303 . 32 ARG HD2 H 2.87 0.02 1 304 . 32 ARG HD3 H 2.74 0.02 1 305 . 32 ARG CA C 52.67 0.25 1 306 . 32 ARG CB C 32.79 0.25 1 307 . 32 ARG CG C 25.16 0.25 1 308 . 32 ARG N N 115.56 0.1 1 309 . 33 ILE H H 8.38 0.02 1 310 . 33 ILE HA H 5.27 0.02 1 311 . 33 ILE HB H 2.06 0.02 1 312 . 33 ILE HG12 H 1.20 0.02 1 313 . 33 ILE HG13 H 1.20 0.02 1 314 . 33 ILE HG2 H 1.03 0.02 1 315 . 33 ILE HD1 H 0.70 0.02 1 316 . 33 ILE CA C 57.64 0.25 1 317 . 33 ILE CB C 40.87 0.25 1 318 . 33 ILE CG1 C 22.23 0.25 1 319 . 33 ILE CG2 C 15.70 0.25 1 320 . 33 ILE CD1 C 11.67 0.25 1 321 . 33 ILE N N 117.33 0.1 1 322 . 34 ALA H H 9.38 0.02 1 323 . 34 ALA HA H 5.11 0.02 1 324 . 34 ALA HB H 0.38 0.02 1 325 . 34 ALA CA C 50.19 0.25 1 326 . 34 ALA CB C 20.99 0.25 1 327 . 34 ALA N N 128.45 0.1 1 328 . 35 TRP H H 8.87 0.02 1 329 . 35 TRP HA H 5.83 0.02 1 330 . 35 TRP HB2 H 3.29 0.02 1 331 . 35 TRP HB3 H 3.05 0.02 1 332 . 35 TRP HE3 H 7.63 0.02 1 333 . 35 TRP HZ2 H 7.41 0.02 1 334 . 35 TRP HZ3 H 7.01 0.02 1 335 . 35 TRP HH2 H 7.08 0.02 1 336 . 35 TRP CA C 56.40 0.25 1 337 . 35 TRP CB C 34.03 0.25 1 338 . 35 TRP N N 119.74 0.1 1 339 . 36 ALA H H 8.19 0.02 1 340 . 36 ALA HA H 5.16 0.02 1 341 . 36 ALA HB H 1.15 0.02 1 342 . 36 ALA CA C 48.93 0.25 1 343 . 36 ALA CB C 20.99 0.25 1 344 . 36 ALA N N 129.72 0.1 1 345 . 37 PRO HA H 4.21 0.02 1 346 . 37 PRO HB2 H 2.42 0.02 1 347 . 37 PRO HB3 H 2.42 0.02 1 348 . 37 PRO HG2 H 2.14 0.02 2 349 . 37 PRO HG3 H 2.07 0.02 2 350 . 37 PRO HD2 H 3.49 0.02 2 351 . 37 PRO HD3 H 3.85 0.02 2 352 . 37 PRO CA C 63.29 0.25 1 353 . 37 PRO CB C 32.52 0.25 1 354 . 37 PRO CG C 25.96 0.25 1 355 . 37 PRO CD C 49.57 0.25 1 356 . 37 PRO N N 121.57 0.1 1 357 . 38 GLU H H 8.70 0.02 1 358 . 38 GLU HA H 4.35 0.02 1 359 . 38 GLU HB2 H 2.08 0.02 1 360 . 38 GLU HB3 H 2.08 0.02 1 361 . 38 GLU HG2 H 2.37 0.02 1 362 . 38 GLU HG3 H 2.37 0.02 1 363 . 38 GLU CA C 57.64 0.25 1 364 . 38 GLU CB C 29.69 0.25 1 365 . 38 GLU CG C 35.89 0.25 1 366 . 38 GLU N N 121.57 0.1 1 367 . 39 GLY H H 8.60 0.02 1 368 . 39 GLY HA2 H 4.25 0.02 1 369 . 39 GLY HA3 H 3.74 0.02 1 370 . 39 GLY CA C 45.22 0.25 1 371 . 39 GLY N N 110.68 0.25 1 372 . 40 LYS H H 7.95 0.02 1 373 . 40 LYS HA H 4.34 0.02 1 374 . 40 LYS HB2 H 2.05 0.02 1 375 . 40 LYS HB3 H 1.96 0.02 1 376 . 40 LYS HG2 H 1.50 0.02 1 377 . 40 LYS HG3 H 1.42 0.02 1 378 . 40 LYS HD2 H 1.77 0.02 1 379 . 40 LYS HD3 H 1.68 0.02 1 380 . 40 LYS CA C 55.16 0.25 1 381 . 40 LYS CB C 34.03 0.25 1 382 . 40 LYS CG C 24.09 0.25 1 383 . 40 LYS CD C 27.20 0.25 1 384 . 40 LYS N N 119.16 0.1 1 385 . 41 ASP H H 8.33 0.02 1 386 . 41 ASP HA H 4.42 0.02 1 387 . 41 ASP HB2 H 2.83 0.02 1 388 . 41 ASP HB3 H 2.58 0.02 1 389 . 41 ASP CA C 53.91 0.25 1 390 . 41 ASP CB C 40.25 0.25 1 391 . 41 ASP N N 118.77 0.1 1 392 . 42 ARG H H 6.93 0.02 1 393 . 42 ARG HA H 4.30 0.02 1 394 . 42 ARG HB2 H 1.75 0.02 1 395 . 42 ARG HB3 H 1.66 0.02 1 396 . 42 ARG HG2 H 1.54 0.02 1 397 . 42 ARG HG3 H 1.54 0.02 1 398 . 42 ARG HD2 H 3.18 0.02 1 399 . 42 ARG HD3 H 3.18 0.02 1 400 . 42 ARG CA C 54.54 0.25 1 401 . 42 ARG CB C 32.17 0.25 1 402 . 42 ARG CG C 25.96 0.25 1 403 . 42 ARG CD C 42.83 0.25 1 404 . 42 ARG N N 115.50 0.1 1 405 . 43 PHE H H 8.10 0.02 1 406 . 43 PHE HA H 4.76 0.02 1 407 . 43 PHE HB2 H 3.27 0.02 1 408 . 43 PHE HB3 H 2.80 0.02 1 409 . 43 PHE HD1 H 7.05 0.02 1 410 . 43 PHE HD2 H 7.05 0.02 1 411 . 43 PHE HE1 H 6.65 0.02 1 412 . 43 PHE HE2 H 6.65 0.02 1 413 . 43 PHE HZ H 6.53 0.02 1 414 . 43 PHE CA C 57.64 0.25 1 415 . 43 PHE CB C 39.38 0.25 1 416 . 43 PHE N N 119.06 0.1 1 417 . 44 THR H H 8.82 0.02 1 418 . 44 THR HA H 4.67 0.02 1 419 . 44 THR HB H 3.96 0.02 1 420 . 44 THR HG2 H 1.35 0.02 1 421 . 44 THR CA C 61.99 0.25 1 422 . 44 THR CB C 68.82 0.25 1 423 . 44 THR CG2 C 21.61 0.25 1 424 . 44 THR N N 112.9 0.1 1 425 . 45 ILE H H 7.97 0.02 1 426 . 45 ILE HA H 4.38 0.02 1 427 . 45 ILE HB H 2.04 0.02 1 428 . 45 ILE HG12 H 1.59 0.02 1 429 . 45 ILE HG13 H 1.59 0.02 1 430 . 45 ILE HG2 H 0.73 0.02 1 431 . 45 ILE HD1 H 0.70 0.02 1 432 . 45 ILE CA C 60.13 0.25 1 433 . 45 ILE CB C 41.490 0.25 1 434 . 45 ILE CG1 C 29.06 0.25 1 435 . 45 ILE CG2 C 15.40 0.25 1 436 . 45 ILE CD1 C 16.64 0.25 1 437 . 45 ILE N N 122.82 0.1 1 438 . 46 SER H H 8.24 0.02 1 439 . 46 SER HA H 4.8 0.02 1 440 . 46 SER HB2 H 3.62 0.02 1 441 . 46 SER HB3 H 3.40 0.02 1 442 . 46 SER CA C 57.64 0.25 1 443 . 46 SER CB C 62.61 0.25 1 444 . 46 SER N N 118.97 0.1 1 445 . 47 HIS H H 9.19 0.02 1 446 . 47 HIS HA H 5.10 0.02 1 447 . 47 HIS HB2 H 2.85 0.02 1 448 . 47 HIS HB3 H 2.69 0.02 1 449 . 47 HIS HD2 H 6.43 0.02 1 450 . 47 HIS HE1 H 7.68 0.02 1 451 . 47 HIS CA C 56.40 0.25 1 452 . 47 HIS CB C 40.87 0.25 1 453 . 47 HIS N N 123.93 0.1 1 454 . 48 MET H H 9.40 0.02 1 455 . 48 MET HA H 4.42 0.02 1 456 . 48 MET HB2 H 2.03 0.02 1 457 . 48 MET HB3 H 1.98 0.02 1 458 . 48 MET HG2 H 2.66 0.02 1 459 . 48 MET HG3 H 2.56 0.02 1 460 . 48 MET CA C 54.54 0.25 1 461 . 48 MET CB C 39.63 0.25 1 462 . 48 MET CG C 32.17 0.25 1 463 . 48 MET N N 123.49 0.1 1 464 . 49 TYR H H 7.93 0.02 1 465 . 49 TYR HA H 4.34 0.02 1 466 . 49 TYR HB2 H 3.04 0.02 1 467 . 49 TYR HB3 H 2.44 0.02 1 468 . 49 TYR HD1 H 6.74 0.02 1 469 . 49 TYR HD2 H 6.74 0.02 1 470 . 49 TYR HE1 H 7.68 0.02 1 471 . 49 TYR HE2 H 7.68 0.02 1 472 . 49 TYR CA C 60.75 0.25 1 473 . 49 TYR CB C 34.52 0.25 1 474 . 49 TYR N N 124.26 0.1 1 475 . 50 ALA H H 9.07 0.02 1 476 . 50 ALA HA H 4.47 0.02 1 477 . 50 ALA HB H 1.62 0.02 1 478 . 50 ALA CA C 54.54 0.25 1 479 . 50 ALA CB C 20.37 0.25 1 480 . 50 ALA N N 118.68 0.1 1 481 . 51 ASP H H 8.00 0.02 1 482 . 51 ASP HA H 5.13 0.02 1 483 . 51 ASP HB2 H 3.14 0.02 1 484 . 51 ASP HB3 H 3.04 0.02 1 485 . 51 ASP CA C 55.16 0.25 1 486 . 51 ASP CB C 41.49 0.25 1 487 . 51 ASP N N 114.15 0.1 1 488 . 52 ILE H H 7.83 0.02 1 489 . 52 ILE HA H 3.92 0.02 1 490 . 52 ILE HB H 2.16 0.02 1 491 . 52 ILE HG12 H 1.97 0.02 1 492 . 52 ILE HG13 H 1.04 0.02 1 493 . 52 ILE HG2 H 0.82 0.02 1 494 . 52 ILE HD1 H 0.78 0.02 1 495 . 52 ILE CA C 61.99 0.25 1 496 . 52 ILE CB C 39.00 0.25 1 497 . 52 ILE CG1 C 23.47 0.25 1 498 . 52 ILE CG2 C 17.88 0.25 1 499 . 52 ILE CD1 C 14.13 0.25 1 500 . 52 ILE N N 124.37 0.1 1 501 . 53 LYS H H 9.21 0.02 1 502 . 53 LYS HA H 3.68 0.02 1 503 . 53 LYS HB2 H 1.42 0.02 1 504 . 53 LYS HB3 H 1.36 0.02 1 505 . 53 LYS HG2 H 0.71 0.02 1 506 . 53 LYS HG3 H 0.71 0.02 1 507 . 53 LYS HD2 H 0.78 0.02 1 508 . 53 LYS HD3 H 0.78 0.02 1 509 . 53 LYS HE2 H 2.86 0.02 1 510 . 53 LYS HE3 H 2.86 0.02 1 511 . 53 LYS CA C 58.26 0.25 1 512 . 53 LYS CB C 33.51 0.25 1 513 . 53 LYS CD C 25.96 0.25 1 514 . 53 LYS N N 127.76 0.1 1 515 . 54 CYS H H 8.01 0.02 1 516 . 54 CYS HA H 4.80 0.02 1 517 . 54 CYS HB2 H 3.64 0.02 1 518 . 54 CYS HB3 H 3.62 0.02 1 519 . 54 CYS CA C 55.16 0.25 1 520 . 54 CYS CB C 45.22 0.25 1 521 . 54 CYS N N 110.01 0.1 1 522 . 55 GLN H H 8.42 0.02 1 523 . 55 GLN HA H 5.77 0.02 1 524 . 55 GLN HB2 H 2.28 0.02 1 525 . 55 GLN HB3 H 2.22 0.02 1 526 . 55 GLN HG2 H 1.62 0.02 1 527 . 55 GLN HG3 H 1.62 0.02 1 528 . 55 GLN HE21 H 7.53 0.02 1 529 . 55 GLN HE22 H 6.94 0.02 1 530 . 55 GLN CA C 52.67 0.25 1 531 . 55 GLN CB C 30.93 0.25 1 532 . 55 GLN CG C 31.55 0.25 1 533 . 55 GLN N N 115.33 0.1 1 534 . 55 GLN NE2 N 111.26 0.1 1 535 . 56 LYS H H 9.27 0.02 1 536 . 56 LYS HA H 4.77 0.02 1 537 . 56 LYS HB2 H 1.93 0.02 1 538 . 56 LYS HB3 H 1.88 0.02 1 539 . 56 LYS HG2 H 1.69 0.02 1 540 . 56 LYS HG3 H 1.69 0.02 1 541 . 56 LYS HD2 H 1.39 0.02 1 542 . 56 LYS HD3 H 1.39 0.02 1 543 . 56 LYS HE2 H 3.50 0.02 1 544 . 56 LYS HE3 H 3.50 0.02 1 545 . 56 LYS CA C 55.16 0.25 1 546 . 56 LYS CB C 35.90 0.25 1 547 . 56 LYS CG C 24.72 0.25 1 548 . 56 LYS CD C 28.44 0.25 1 549 . 56 LYS CE C 46.46 0.25 1 550 . 56 LYS N N 119.54 0.1 1 551 . 57 ILE H H 8.74 0.02 1 552 . 57 ILE HA H 4.79 0.02 1 553 . 57 ILE HB H 2.02 0.02 1 554 . 57 ILE HG12 H 1.49 0.02 1 555 . 57 ILE HG13 H 1.49 0.02 1 556 . 57 ILE HG2 H 1.02 0.02 1 557 . 57 ILE HD1 H 1.00 0.02 1 558 . 57 ILE CA C 60.03 0.25 1 559 . 57 ILE CB C 39.63 0.25 1 560 . 57 ILE CG1 C 24.09 0.25 1 561 . 57 ILE CG2 C 19.75 0.25 1 562 . 57 ILE CD1 C 14.15 0.25 1 563 . 57 ILE N N 119.30 0.1 1 564 . 58 SER H H 8.23 0.02 1 565 . 58 SER HA H 4.82 0.02 1 566 . 58 SER N N 121.61 0.1 1 567 . 61 GLY H H 8.82 0.02 1 568 . 61 GLY HA2 H 4.24 0.02 1 569 . 61 GLY HA3 H 4.01 0.02 1 570 . 61 GLY CA C 45.22 0.25 1 571 . 61 GLY N N 112.75 0.1 1 572 . 62 LYS H H 7.88 0.02 1 573 . 62 LYS HA H 4.30 0.02 1 574 . 62 LYS HB2 H 1.65 0.02 1 575 . 62 LYS HB3 H 1.33 0.02 1 576 . 62 LYS HG2 H 1.21 0.02 1 577 . 62 LYS HG3 H 1.21 0.02 1 578 . 62 LYS HD2 H 1.47 0.02 1 579 . 62 LYS HD3 H 1.47 0.02 1 580 . 62 LYS CA C 56.40 0.25 1 581 . 62 LYS CB C 32.79 0.25 1 582 . 62 LYS CG C 28.44 0.25 1 583 . 62 LYS CD C 24.72 0.25 1 584 . 62 LYS N N 117.33 0.1 1 585 . 63 ALA H H 8.48 0.02 1 586 . 63 ALA HA H 4.41 0.02 1 587 . 63 ALA HB H 1.56 0.02 1 588 . 63 ALA CA C 52.67 0.25 1 589 . 63 ALA CB C 19.75 0.25 1 590 . 63 ALA N N 125.71 0.1 1 591 . 64 LYS H H 8.03 0.02 1 592 . 64 LYS HA H 4.43 0.02 1 593 . 64 LYS CA C 54.63 0.25 1 594 . 64 LYS CB C 31.39 0.25 1 595 . 64 LYS N N 124.82 0.1 1 596 . 65 ILE H H 9.15 0.02 1 597 . 65 ILE HA H 4.13 0.02 1 598 . 65 ILE HB H 2.60 0.02 1 599 . 65 ILE HG12 H 1.48 0.02 1 600 . 65 ILE HG13 H 1.48 0.02 1 601 . 65 ILE HG2 H 0.78 0.02 1 602 . 65 ILE HD1 H 0.86 0.02 1 603 . 65 ILE CA C 60.13 0.25 1 604 . 65 ILE CB C 34.03 0.25 1 605 . 65 ILE CG1 C 26.58 0.25 1 606 . 65 ILE CG2 C 17.26 0.25 1 607 . 65 ILE CD1 C 16.64 0.25 1 608 . 65 ILE N N 125.13 0.1 1 609 . 66 GLN H H 8.75 0.02 1 610 . 66 GLN HA H 6.23 0.02 1 611 . 66 GLN HB2 H 2.05 0.02 1 612 . 66 GLN HB3 H 1.99 0.02 1 613 . 66 GLN HG2 H 2.38 0.02 1 614 . 66 GLN HG3 H 2.20 0.02 1 615 . 66 GLN HE21 H 7.56 0.02 1 616 . 66 GLN HE22 H 6.89 0.02 1 617 . 66 GLN CA C 53.91 0.25 1 618 . 66 GLN CB C 32.79 0.25 1 619 . 66 GLN CG C 34.65 0.25 1 620 . 66 GLN N N 125.90 0.1 1 621 . 66 GLN NE2 N 110.48 0.1 1 622 . 67 LEU H H 9.20 0.02 1 623 . 67 LEU HA H 4.10 0.02 1 624 . 67 LEU HB2 H 1.79 0.02 1 625 . 67 LEU HB3 H 1.79 0.02 1 626 . 67 LEU HG H 1.90 0.02 1 627 . 67 LEU HD1 H 1.14 0.02 1 628 . 67 LEU HD2 H 1.06 0.02 1 629 . 67 LEU CA C 55.16 0.25 1 630 . 67 LEU CB C 48.94 0.25 1 631 . 67 LEU CG C 26.58 0.25 1 632 . 67 LEU CD1 C 24.09 0.25 1 633 . 67 LEU CD2 C 23.47 0.25 1 634 . 67 LEU N N 123.40 0.1 1 635 . 68 GLN H H 9.37 0.02 1 636 . 68 GLN HA H 5.49 0.02 1 637 . 68 GLN HB2 H 2.02 0.02 1 638 . 68 GLN HB3 H 1.94 0.02 1 639 . 68 GLN HG2 H 2.26 0.02 1 640 . 68 GLN HG3 H 2.26 0.02 1 641 . 68 GLN HE21 H 7.63 0.02 1 642 . 68 GLN HE22 H 6.81 0.02 1 643 . 68 GLN CA C 53.91 0.25 1 644 . 68 GLN CB C 32.79 0.25 1 645 . 68 GLN CG C 34.66 0.25 1 646 . 68 GLN N N 125.23 0.1 1 647 . 68 GLN NE2 N 110.48 0.1 1 648 . 69 LEU H H 9.24 0.02 1 649 . 69 LEU HA H 5.00 0.02 1 650 . 69 LEU HB2 H 1.95 0.02 1 651 . 69 LEU HB3 H 1.86 0.02 1 652 . 69 LEU HG H 1.98 0.02 1 653 . 69 LEU HD1 H 1.07 0.02 1 654 . 69 LEU HD2 H 1.20 0.02 1 655 . 69 LEU CA C 53.29 0.25 1 656 . 69 LEU CB C 42.73 0.25 1 657 . 69 LEU CG C 26.58 0.25 1 658 . 69 LEU CD1 C 20.37 0.25 1 659 . 69 LEU CD2 C 22.85 0.25 1 660 . 69 LEU N N 122.43 0.1 1 661 . 70 VAL H H 8.61 0.02 1 662 . 70 VAL HA H 4.37 0.02 1 663 . 70 VAL HB H 2.20 0.02 1 664 . 70 VAL HG1 H 0.89 0.02 1 665 . 70 VAL HG2 H 1.19 0.02 1 666 . 70 VAL CA C 61.37 0.25 1 667 . 70 VAL CB C 32.17 0.25 1 668 . 70 VAL CG1 C 20.37 0.25 1 669 . 70 VAL CG2 C 21.61 0.25 1 670 . 70 VAL N N 123.01 0.1 1 671 . 71 LEU H H 8.90 0.02 1 672 . 71 LEU HA H 4.68 0.02 1 673 . 71 LEU HB2 H 1.97 0.02 1 674 . 71 LEU HB3 H 1.88 0.02 1 675 . 71 LEU HG H 1.55 0.02 1 676 . 71 LEU HD1 H 0.23 0.02 1 677 . 71 LEU HD2 H 0.56 0.02 1 678 . 71 LEU CA C 53.91 0.25 1 679 . 71 LEU CB C 40.15 0.25 1 680 . 71 LEU CG C 24.09 0.25 1 681 . 71 LEU CD1 C 22.23 0.25 1 682 . 71 LEU CD2 C 21.61 0.25 1 683 . 71 LEU N N 127.58 0.1 1 684 . 72 HIS H H 8.26 0.25 1 685 . 72 HIS HA H 4.32 0.25 1 686 . 72 HIS HB2 H 3.14 0.25 2 687 . 72 HIS HB3 H 3.11 0.25 2 688 . 72 HIS HD2 H 7.01 0.02 1 689 . 72 HIS HE1 H 7.92 0.02 1 690 . 72 HIS CA C 61.37 0.25 1 691 . 72 HIS CB C 30.31 0.25 1 692 . 72 HIS N N 121.57 0.1 1 693 . 73 ALA H H 8.67 0.02 1 694 . 73 ALA HA H 4.41 0.02 1 695 . 73 ALA HB H 1.59 0.02 1 696 . 73 ALA CA C 53.29 0.25 1 697 . 73 ALA CB C 18.50 0.25 1 698 . 73 ALA N N 117.52 0.1 1 699 . 74 GLY H H 7.68 0.02 1 700 . 74 GLY HA2 H 4.58 0.02 1 701 . 74 GLY HA3 H 3.69 0.02 1 702 . 74 GLY CA C 45.22 0.25 1 703 . 74 GLY N N 104.34 0.1 1 704 . 75 ASP H H 8.01 0.02 1 705 . 75 ASP HA H 4.70 0.02 1 706 . 75 ASP HB2 H 2.75 0.02 1 707 . 75 ASP HB3 H 2.56 0.02 1 708 . 75 ASP CA C 53.91 0.25 1 709 . 75 ASP CB C 41.49 0.25 1 710 . 75 ASP N N 118.48 0.1 1 711 . 76 THR H H 8.36 0.02 1 712 . 76 THR HA H 5.32 0.02 1 713 . 76 THR HB H 3.95 0.02 1 714 . 76 THR HG2 H 1.12 0.02 1 715 . 76 THR CA C 60.13 0.25 1 716 . 76 THR CB C 71.90 0.25 1 717 . 76 THR CG2 C 20.37 0.25 1 718 . 76 THR N N 110.68 0.1 1 719 . 77 THR H H 8.69 0.02 1 720 . 77 THR HA H 4.33 0.02 1 721 . 77 THR HB H 3.67 0.02 1 722 . 77 THR HG2 H 0.58 0.02 1 723 . 77 THR CA C 65.57 0.25 1 724 . 77 THR CB C 70.76 0.25 1 725 . 77 THR CG2 C 22.90 0.02 1 726 . 77 THR N N 120.90 0.1 1 727 . 78 ASN H H 8.80 0.02 1 728 . 78 ASN HA H 5.22 0.02 1 729 . 78 ASN HB2 H 2.60 0.02 1 730 . 78 ASN HB3 H 2.52 0.02 1 731 . 78 ASN HD21 H 7.20 0.02 1 732 . 78 ASN HD22 H 6.82 0.02 1 733 . 78 ASN CA C 52.05 0.25 1 734 . 78 ASN CB C 41.49 0.25 1 735 . 78 ASN N N 125.42 0.1 1 736 . 78 ASN ND2 N 111.64 0.1 1 737 . 79 PHE H H 9.04 0.02 1 738 . 79 PHE HA H 5.07 0.02 1 739 . 79 PHE HB2 H 2.87 0.02 1 740 . 79 PHE HB3 H 2.66 0.02 1 741 . 79 PHE HD1 H 6.91 0.02 1 742 . 79 PHE HD2 H 6.91 0.02 1 743 . 79 PHE HE1 H 6.82 0.02 1 744 . 79 PHE HE2 H 6.82 0.02 1 745 . 79 PHE CA C 55.78 0.25 1 746 . 79 PHE CB C 41.49 0.25 1 747 . 79 PHE N N 121.37 0.1 1 748 . 80 HIS H H 9.05 0.02 1 749 . 80 HIS HA H 5.51 0.02 1 750 . 80 HIS HB2 H 3.21 0.02 2 751 . 80 HIS HB3 H 3.12 0.02 2 752 . 80 HIS HD2 H 7.16 0.02 1 753 . 80 HIS HE1 H 7.77 0.02 1 754 . 80 HIS CA C 52.67 0.25 1 755 . 80 HIS CB C 33.41 0.25 1 756 . 80 HIS N N 122.24 0.1 1 757 . 81 PHE H H 9.25 0.02 1 758 . 81 PHE HA H 4.48 0.02 1 759 . 81 PHE HB2 H 3.30 0.02 1 760 . 81 PHE HB3 H 3.11 0.02 1 761 . 81 PHE HD1 H 7.61 0.02 1 762 . 81 PHE HD2 H 7.61 0.02 1 763 . 81 PHE HE1 H 7.68 0.02 1 764 . 81 PHE HE2 H 7.68 0.02 1 765 . 81 PHE CA C 58.88 0.25 1 766 . 81 PHE CB C 37.76 0.25 1 767 . 81 PHE N N 130.49 0.1 1 768 . 82 SER H H 7.96 0.02 1 769 . 82 SER HA H 4.50 0.02 1 770 . 82 SER HB2 H 4.10 0.02 1 771 . 82 SER HB3 H 3.99 0.02 1 772 . 82 SER CA C 58.26 0.25 1 773 . 82 SER CB C 66.34 0.25 1 774 . 82 SER N N 119.69 0.1 1 775 . 85 SER H H 8.78 0.02 1 776 . 85 SER HA H 4.46 0.02 1 777 . 85 SER HB2 H 4.07 0.02 2 778 . 85 SER CA C 62.69 0.25 1 779 . 85 SER CB C 64.21 0.25 1 780 . 85 SER N N 111.55 0.1 1 781 . 86 THR H H 7.41 0.02 1 782 . 86 THR HA H 4.76 0.02 1 783 . 86 THR HB H 3.25 0.02 1 784 . 86 THR HG2 H 1.18 0.02 1 785 . 86 THR CA C 61.37 0.25 1 786 . 86 THR CB C 69.82 0.25 1 787 . 86 THR CG2 C 20.99 0.25 1 788 . 86 THR N N 108.17 0.1 1 789 . 87 ALA H H 7.77 0.02 1 790 . 87 ALA HA H 4.32 0.02 1 791 . 87 ALA HB H 1.56 0.02 1 792 . 87 ALA CA C 56.20 0.25 1 793 . 87 ALA CB C 19.65 0.25 1 794 . 87 ALA N N 124.87 0.1 1 795 . 88 VAL H H 8.43 0.02 1 796 . 88 VAL HA H 3.74 0.02 1 797 . 88 VAL HB H 2.05 0.02 1 798 . 88 VAL HG1 H 1.07 0.02 1 799 . 88 VAL HG2 H 1.00 0.02 1 800 . 88 VAL CA C 66.96 0.25 1 801 . 88 VAL CB C 30.93 0.25 1 802 . 88 VAL CG1 C 13.53 0.25 1 803 . 88 VAL CG2 C 17.26 0.25 1 804 . 88 VAL N N 115.45 0.1 1 805 . 89 LYS H H 7.771 0.02 1 806 . 89 LYS HA H 4.04 0.02 1 807 . 89 LYS HB2 H 1.99 0.02 1 808 . 89 LYS HB3 H 1.92 0.02 1 809 . 89 LYS HG2 H 1.47 0.02 1 810 . 89 LYS HG3 H 1.47 0.02 1 811 . 89 LYS HD2 H 1.64 0.02 1 812 . 89 LYS HD3 H 1.64 0.02 1 813 . 89 LYS HE2 H 3.29 0.02 1 814 . 89 LYS HE3 H 3.29 0.02 1 815 . 89 LYS CA C 58.88 0.25 1 816 . 89 LYS CB C 32.17 0.25 1 817 . 89 LYS CG C 25.34 0.25 1 818 . 89 LYS CD C 30.93 0.25 1 819 . 89 LYS N N 118.92 0.1 1 820 . 90 GLU H H 8.55 0.02 1 821 . 90 GLU HA H 4.12 0.02 1 822 . 90 GLU HB2 H 2.04 0.02 1 823 . 90 GLU HB3 H 2.04 0.02 1 824 . 90 GLU HG2 H 2.49 0.02 1 825 . 90 GLU HG3 H 2.38 0.02 1 826 . 90 GLU CA C 58.88 0.25 1 827 . 90 GLU CB C 31.45 0.25 1 828 . 90 GLU CG C 34.66 0.25 1 829 . 90 GLU N N 120.70 0.1 1 830 . 91 ARG H H 8.39 0.02 1 831 . 91 ARG HA H 4.12 0.02 1 832 . 91 ARG HB2 H 1.72 0.02 1 833 . 91 ARG HB3 H 1.72 0.02 1 834 . 91 ARG HG2 H 0.51 0.02 1 835 . 91 ARG HG3 H 0.51 0.02 1 836 . 91 ARG HD2 H 3.42 0.02 1 837 . 91 ARG HD3 H 3.42 0.02 1 838 . 91 ARG CA C 60.03 0.25 1 839 . 91 ARG CB C 27.89 0.25 1 840 . 91 ARG N N 119.30 0.1 1 841 . 92 ASP H H 8.41 0.02 1 842 . 92 ASP HA H 4.42 0.02 1 843 . 92 ASP HB2 H 2.82 0.02 1 844 . 92 ASP HB3 H 2.64 0.02 1 845 . 92 ASP CA C 57.02 0.25 1 846 . 92 ASP CB C 39.63 0.25 1 847 . 92 ASP N N 119.45 0.1 1 848 . 93 ALA H H 7.90 0.02 1 849 . 93 ALA HA H 4.25 0.02 1 850 . 93 ALA HB H 1.61 0.02 1 851 . 93 ALA CA C 55.16 0.02 1 852 . 93 ALA CB C 17.26 0.02 1 853 . 93 ALA N N 122.72 0.1 1 854 . 94 VAL H H 8.09 0.02 1 855 . 94 VAL HA H 3.50 0.02 1 856 . 94 VAL HB H 2.35 0.02 1 857 . 94 VAL HG1 H 1.23 0.02 1 858 . 94 VAL HG2 H 1.08 0.02 1 859 . 94 VAL CA C 66.34 0.25 1 860 . 94 VAL CB C 31.55 0.25 1 861 . 94 VAL CG1 C 23.47 0.25 1 862 . 94 VAL CG2 C 25.34 0.25 1 863 . 94 VAL N N 119.35 0.1 1 864 . 95 LYS H H 8.90 0.02 1 865 . 95 LYS HA H 4.70 0.02 1 866 . 95 LYS HB2 H 1.99 0.02 1 867 . 95 LYS HB3 H 1.80 0.02 1 868 . 95 LYS HG2 H 1.68 0.02 1 869 . 95 LYS HG3 H 1.44 0.02 1 870 . 95 LYS HD2 H 1.87 0.02 1 871 . 95 LYS HE2 H 3.57 0.02 1 872 . 95 LYS CA C 58.26 0.25 1 873 . 95 LYS CB C 32.17 0.25 1 874 . 95 LYS CG C 24.09 0.25 1 875 . 95 LYS CE C 40.25 0.25 1 876 . 95 LYS N N 120.80 0.1 1 877 . 96 ASP H H 8.69 0.02 1 878 . 96 ASP HA H 4.43 0.02 1 879 . 96 ASP HB2 H 2.83 0.02 1 880 . 96 ASP HB3 H 2.65 0.02 1 881 . 96 ASP CA C 57.64 0.25 1 882 . 96 ASP CB C 40.15 0.25 1 883 . 96 ASP N N 119.45 0.1 1 884 . 97 LEU H H 7.69 0.02 1 885 . 97 LEU HA H 4.33 0.02 1 886 . 97 LEU HB2 H 1.90 0.02 1 887 . 97 LEU HB3 H 1.79 0.02 1 888 . 97 LEU HG H 1.52 0.02 1 889 . 97 LEU HD1 H 0.98 0.02 1 890 . 97 LEU HD2 H 0.98 0.02 1 891 . 97 LEU CA C 58.26 0.25 1 892 . 97 LEU CB C 41.49 0.25 1 893 . 97 LEU CG C 24.78 0.25 1 894 . 97 LEU CD1 C 24.09 0.25 1 895 . 97 LEU CD2 C 24.09 0.25 1 896 . 97 LEU N N 121.08 0.1 1 897 . 98 LEU H H 9.05 0.02 1 898 . 98 LEU HA H 3.88 0.02 1 899 . 98 LEU HB2 H 1.41 0.02 1 900 . 98 LEU HB3 H 0.78 0.02 1 901 . 98 LEU HG H 1.15 0.02 1 902 . 98 LEU HD1 H 1.00 0.02 1 903 . 98 LEU HD2 H 0.75 0.02 1 904 . 98 LEU CA C 58.88 0.25 1 905 . 98 LEU CB C 40.87 0.25 1 906 . 98 LEU CG C 24.09 0.25 1 907 . 98 LEU CD1 C 23.47 0.25 1 908 . 98 LEU CD2 C 20.37 0.25 1 909 . 98 LEU N N 119.35 0.1 1 910 . 99 GLN H H 8.46 0.02 1 911 . 99 GLN HA H 4.13 0.02 1 912 . 99 GLN HB2 H 2.34 0.02 1 913 . 99 GLN HB3 H 2.20 0.02 1 914 . 99 GLN HG2 H 2.58 0.02 1 915 . 99 GLN HG3 H 2.49 0.02 1 916 . 99 GLN HE21 H 7.19 0.02 1 917 . 99 GLN HE22 H 6.62 0.02 1 918 . 99 GLN CA C 58.26 0.25 1 919 . 99 GLN CB C 28.24 0.25 1 920 . 99 GLN CG C 33.41 0.25 1 921 . 99 GLN N N 116.56 0.1 1 922 . 99 GLN NE2 N 111.26 0.1 1 923 . 100 GLN H H 7.32 0.02 1 924 . 100 GLN HA H 4.35 0.02 1 925 . 100 GLN HB2 H 2.30 0.02 1 926 . 100 GLN HB3 H 2.30 0.02 1 927 . 100 GLN HG2 H 2.42 0.02 1 928 . 100 GLN HG3 H 2.4 0.02 1 929 . 100 GLN CA C 57.02 0.25 1 930 . 100 GLN CB C 29.06 0.25 1 931 . 100 GLN CG C 32.17 0.25 1 932 . 100 GLN N N 114.49 0.1 1 933 . 101 LEU H H 8.35 0.02 1 934 . 101 LEU HA H 4.20 0.02 1 935 . 101 LEU HB2 H 1.17 0.02 2 936 . 101 LEU HB3 H 0.99 0.02 2 937 . 101 LEU HG H 1.72 0.02 1 938 . 101 LEU HD1 H 0.82 0.02 1 939 . 101 LEU HD2 H 0.69 0.02 1 940 . 101 LEU CA C 57.02 0.25 1 941 . 101 LEU CB C 42.79 0.25 1 942 . 101 LEU CG C 27.82 0.25 1 943 . 101 LEU CD1 C 23.47 0.25 1 944 . 101 LEU CD2 C 25.34 0.25 1 945 . 101 LEU N N 120.51 0.1 1 946 . 102 LEU H H 8.81 0.02 1 947 . 102 LEU HA H 4.17 0.02 1 948 . 102 LEU HB2 H 2.11 0.02 1 949 . 102 LEU HB3 H 2.11 0.02 1 950 . 102 LEU HG H 1.60 0.02 1 951 . 102 LEU HD1 H 0.85 0.02 2 952 . 102 LEU HD2 H 0.79 0.02 2 953 . 102 LEU CA C 60.03 0.25 1 954 . 102 LEU CB C 37.14 0.25 1 955 . 102 LEU CG C 24.1 0.25 1 956 . 102 LEU CD1 C 24.09 0.25 1 957 . 102 LEU CD2 C 24.09 0.25 1 958 . 102 LEU N N 116.75 0.1 1 959 . 103 PRO HA H 4.45 0.02 1 960 . 103 PRO HB2 H 1.97 0.02 2 961 . 103 PRO HB3 H 1.79 0.02 2 962 . 103 PRO HG2 H 1.58 0.02 2 963 . 103 PRO HG3 H 1.49 0.02 2 964 . 103 PRO HD2 H 3.84 0.02 2 965 . 103 PRO HD3 H 3.09 0.02 2 966 . 103 PRO CA C 64.47 0.25 1 967 . 103 PRO CB C 28.82 0.25 1 968 . 103 PRO CG C 25.96 0.25 1 969 . 103 PRO CD C 50.81 0.25 1 970 . 104 LYS H H 7.18 0.02 1 971 . 104 LYS HA H 4.00 0.02 1 972 . 104 LYS HB2 H 1.89 0.02 2 973 . 104 LYS HB3 H 1.64 0.02 2 974 . 104 LYS HG2 H 0.90 0.02 1 975 . 104 LYS HG3 H 0.90 0.02 1 976 . 104 LYS HD2 H 1.43 0.02 1 977 . 104 LYS HD3 H 1.43 0.02 1 978 . 104 LYS HE2 H 3.03 0.02 1 979 . 104 LYS HE3 H 3.03 0.02 1 980 . 104 LYS CA C 58.15 0.25 1 981 . 104 LYS CB C 32.70 0.25 1 982 . 104 LYS CG C 24.09 0.25 1 983 . 104 LYS CD C 24.72 0.25 1 984 . 104 LYS CE C 40.25 0.25 1 985 . 104 LYS N N 115.69 0.1 1 986 . 105 PHE H H 7.44 0.02 1 987 . 105 PHE HA H 4.56 0.02 1 988 . 105 PHE HB2 H 2.60 0.02 1 989 . 105 PHE HB3 H 2.54 0.02 1 990 . 105 PHE HD1 H 7.52 0.02 1 991 . 105 PHE HD2 H 7.52 0.02 1 992 . 105 PHE HE1 H 7.47 0.02 1 993 . 105 PHE HE2 H 7.47 0.02 1 994 . 105 PHE CA C 57.64 0.25 1 995 . 105 PHE CB C 40.87 0.25 1 996 . 105 PHE N N 114.73 0.1 1 997 . 106 LYS H H 7.17 0.02 1 998 . 106 LYS HA H 4.49 0.02 1 999 . 106 LYS HB2 H 1.94 0.02 1 1000 . 106 LYS HB3 H 1.94 0.02 1 1001 . 106 LYS HG2 H 1.65 0.02 1 1002 . 106 LYS HG3 H 1.65 0.02 1 1003 . 106 LYS HD2 H 1.81 0.02 1 1004 . 106 LYS HD3 H 1.81 0.02 1 1005 . 106 LYS HE2 H 3.07 0.02 1 1006 . 106 LYS HE3 H 3.07 0.02 1 1007 . 106 LYS CA C 57.02 0.25 1 1008 . 106 LYS CB C 32.79 0.25 1 1009 . 106 LYS CG C 24.09 0.25 1 1010 . 106 LYS CD C 28.44 0.25 1 1011 . 106 LYS CE C 39.00 0.25 1 1012 . 106 LYS N N 120.70 0.1 1 1013 . 107 ARG H H 8.75 0.02 1 1014 . 107 ARG HA H 4.32 0.02 1 1015 . 107 ARG HB2 H 1.97 0.02 1 1016 . 107 ARG HB3 H 1.78 0.02 1 1017 . 107 ARG HG2 H 1.56 0.02 1 1018 . 107 ARG HG3 H 1.49 0.02 1 1019 . 107 ARG HD2 H 3.10 0.02 1 1020 . 107 ARG HD3 H 3.10 0.02 1 1021 . 107 ARG CA C 55.60 0.25 1 1022 . 107 ARG CB C 30.93 0.25 1 1023 . 107 ARG CG C 24.78 0.25 1 1024 . 107 ARG CD C 42.11 0.25 1 1025 . 107 ARG N N 125.03 0.1 1 1026 . 108 LYS H H 8.62 0.02 1 1027 . 108 LYS N N 123.2 0.1 1 1028 . 109 ALA H H 8.64 0.02 1 1029 . 109 ALA CA C 44.22 0.25 1 1030 . 109 ALA CB C 24.82 0.25 1 1031 . 109 ALA N N 134.61 0.1 1 stop_ save_