data_25584 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the N-terminal activation domain of EKLF (TAD1) ; _BMRB_accession_number 25584 _BMRB_flat_file_name bmr25584.str _Entry_type original _Submission_date 2015-04-27 _Accession_date 2015-04-27 _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 Lecoq Lauriane . . 2 Morse Thomas . . 3 Raiola Luca . . 4 Arseneault Genevieve . . 5 Omichinski 'James G.' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 794 "13C chemical shifts" 578 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25583 'complex between the PH domain of the Tfb1 subunit from TFIIH and the transactivation domain of p65' 6225 'Chemical shifts of free Tfb1' stop_ _Original_release_date 2016-04-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Characterization of the Complex between the N-terminal Transactivation Domain of EKLF and the p62/Tfb1 subunit of TFIIH ; _Citation_status 'in preparation' _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 Morse Thomas . . 2 Lecoq Lauriane . . 3 Raiola Luca . . 4 Arseneault Genevieve . . 5 Omichinski James G. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'complex between the PH domain of the Tfb1 subunit from TFIIH and the N-terminal activation domain of EKLF (TAD1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNA_polymerase_II_transcription_factor_B_subunit_1 _Molecular_mass 12903.807 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; PSHSGAAIFEKVSGIIAINE DVSPAELTWRSTDGDKVHTV VLSTIDKLQATPASSEKMML RLIGKVDESKKRKDNEGNEV VPKPQRHMFSFNNRTVMDNI KMTLQQIISRYKDAD ; 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 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 1y5o Tfb1 . . . . . BMRB 6225 Tfb1 . . . . . SP P32776 . . . . . . REF NP_010597 . . . . . . stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N-terminal_transactivation_domain_of_Krueppel-like_factor_1 _Molecular_mass 2359.502 _Mol_thiol_state 'not present' _Details . _Residue_count 19 _Mol_residue_sequence ; DTQDDFLKWWRSEEAQDMG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 ASP 2 23 THR 3 24 GLN 4 25 ASP 5 26 ASP 6 27 PHE 7 28 LEU 8 29 LYS 9 30 TRP 10 31 TRP 11 32 ARG 12 33 SER 13 34 GLU 14 35 GLU 15 36 ALA 16 37 GLN 17 38 ASP 18 39 MET 19 40 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 SP Q13351 KLF1 . . . . . REF K09204 KLF1 . . . . . NCBI 10661 KLF1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity_1 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pGEX-TEV $entity_2 'recombinant technology' . Escherichia coli . pGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Labeled Tfb1 + 3eq EKLF TAD1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-100% 13C; U-100% 15N]' $entity_2 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Labeled Tfb1 + 3eq EKLF TAD1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-100% 13C; U-100% 15N]' $entity_2 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Labeled EKLF TAD1 + 3 eq Tfb1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.8 mM '[U-100% 13C; U-100% 15N]' $entity_1 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'Labeled EKLF TAD1 + 3 eq Tfb1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.8 mM '[U-100% 13C; U-100% 15N]' $entity_1 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_intermolecular_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D intermolecular NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_4 save_ save_3D_intermolecular_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D intermolecular NOESY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_Eklf_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 22 1 ASP H H 8.621 0.01 1 2 22 1 ASP HA H 4.671 0.01 1 3 22 1 ASP HB2 H 2.731 0.01 2 4 22 1 ASP HB3 H 2.678 0.01 2 5 22 1 ASP CA C 54.582 0.1 1 6 22 1 ASP CB C 41.139 0.1 1 7 22 1 ASP N N 122.413 0.05 1 8 23 2 THR H H 8.114 0.01 1 9 23 2 THR HA H 4.286 0.01 1 10 23 2 THR HB H 4.291 0.01 1 11 23 2 THR HG2 H 1.198 0.01 1 12 23 2 THR CA C 62.03 0.1 1 13 23 2 THR CB C 69.681 0.1 1 14 23 2 THR CG2 C 21.738 0.1 1 15 23 2 THR N N 113.872 0.05 1 16 24 3 GLN H H 8.372 0.01 1 17 24 3 GLN HA H 4.288 0.01 1 18 24 3 GLN HB2 H 2.035 0.01 2 19 24 3 GLN HB3 H 2.129 0.01 2 20 24 3 GLN HG2 H 2.348 0.01 2 21 24 3 GLN HG3 H 2.359 0.01 2 22 24 3 GLN HE21 H 6.803 0.01 1 23 24 3 GLN HE22 H 7.581 0.01 1 24 24 3 GLN CA C 56.384 0.1 1 25 24 3 GLN CB C 29.27 0.1 1 26 24 3 GLN CG C 33.92 0.1 1 27 24 3 GLN N N 122.215 0.05 1 28 24 3 GLN NE2 N 112.565 0.05 1 29 25 4 ASP H H 8.269 0.01 1 30 25 4 ASP HA H 4.549 0.01 1 31 25 4 ASP HB2 H 2.619 0.01 1 32 25 4 ASP HB3 H 2.619 0.01 1 33 25 4 ASP CA C 55.011 0.1 1 34 25 4 ASP CB C 41.398 0.1 1 35 25 4 ASP N N 121.295 0.05 1 36 26 5 ASP H H 8.236 0.01 1 37 26 5 ASP HA H 4.44 0.01 1 38 26 5 ASP HB2 H 2.604 0.01 1 39 26 5 ASP HB3 H 2.604 0.01 1 40 26 5 ASP CA C 55.37 0.1 1 41 26 5 ASP CB C 40.992 0.1 1 42 26 5 ASP N N 120.922 0.05 1 43 27 6 PHE H H 8.092 0.01 1 44 27 6 PHE HA H 4.405 0.01 1 45 27 6 PHE HB2 H 3.135 0.01 2 46 27 6 PHE HB3 H 3.137 0.01 2 47 27 6 PHE HD1 H 7.238 0.01 3 48 27 6 PHE HD2 H 7.238 0.01 3 49 27 6 PHE HE1 H 7.325 0.01 3 50 27 6 PHE HE2 H 7.325 0.01 3 51 27 6 PHE HZ H 7.262 0.01 1 52 27 6 PHE CA C 59.219 0.1 1 53 27 6 PHE CB C 39.128 0.1 1 54 27 6 PHE CD1 C 131.694 0.1 3 55 27 6 PHE CD2 C 131.694 0.1 3 56 27 6 PHE CE1 C 131.535 0.1 3 57 27 6 PHE CE2 C 131.535 0.1 3 58 27 6 PHE CZ C 129.727 0.1 1 59 27 6 PHE N N 119.725 0.05 1 60 28 7 LEU H H 7.896 0.01 1 61 28 7 LEU HA H 4.167 0.01 1 62 28 7 LEU HB2 H 1.677 0.01 2 63 28 7 LEU HB3 H 1.519 0.01 2 64 28 7 LEU HG H 1.49 0.01 1 65 28 7 LEU HD1 H 0.869 0.01 1 66 28 7 LEU HD2 H 0.869 0.01 1 67 28 7 LEU CA C 55.846 0.1 1 68 28 7 LEU CB C 42.095 0.1 1 69 28 7 LEU CG C 26.997 0.1 1 70 28 7 LEU CD1 C 23.543 0.1 2 71 28 7 LEU CD2 C 25.143 0.1 2 72 28 7 LEU N N 120.07 0.05 1 73 29 8 LYS H H 7.823 0.01 1 74 29 8 LYS HA H 3.57 0.01 1 75 29 8 LYS HB2 H 1.405 0.01 2 76 29 8 LYS HB3 H 1.364 0.01 2 77 29 8 LYS HG2 H 1.113 0.01 2 78 29 8 LYS HG3 H 1.046 0.01 2 79 29 8 LYS HD2 H 1.526 0.01 2 80 29 8 LYS HD3 H 1.485 0.01 2 81 29 8 LYS HE2 H 2.9 0.01 1 82 29 8 LYS HE3 H 2.9 0.01 1 83 29 8 LYS CA C 55.792 0.1 1 84 29 8 LYS CB C 31.56 0.1 1 85 29 8 LYS CG C 24.699 0.1 1 86 29 8 LYS CD C 29.241 0.1 1 87 29 8 LYS CE C 42 0.1 1 88 29 8 LYS N N 119.87 0.05 1 89 30 9 TRP H H 7.403 0.01 1 90 30 9 TRP HA H 4.329 0.01 1 91 30 9 TRP HB2 H 3.259 0.01 2 92 30 9 TRP HB3 H 3.142 0.01 2 93 30 9 TRP HD1 H 7.443 0.01 1 94 30 9 TRP HE1 H 10.417 0.01 1 95 30 9 TRP HE3 H 7.399 0.01 1 96 30 9 TRP HZ2 H 7.412 0.01 1 97 30 9 TRP HZ3 H 7.04 0.01 1 98 30 9 TRP HH2 H 7.18 0.01 1 99 30 9 TRP CA C 58.198 0.1 1 100 30 9 TRP CB C 28.787 0.1 1 101 30 9 TRP CD1 C 128.036 0.1 1 102 30 9 TRP CE3 C 120.613 0.1 1 103 30 9 TRP CZ2 C 114.548 0.1 1 104 30 9 TRP CZ3 C 121.583 0.1 1 105 30 9 TRP CH2 C 125.169 0.1 1 106 30 9 TRP N N 120.769 0.05 1 107 30 9 TRP NE1 N 130.706 0.05 1 108 31 10 TRP H H 7.348 0.01 1 109 31 10 TRP HA H 4.226 0.01 1 110 31 10 TRP HB2 H 2.931 0.01 2 111 31 10 TRP HB3 H 2.906 0.01 2 112 31 10 TRP HD1 H 6.701 0.01 1 113 31 10 TRP HE1 H 10.331 0.01 1 114 31 10 TRP HE3 H 7.425 0.01 1 115 31 10 TRP HZ2 H 7.198 0.01 1 116 31 10 TRP HZ3 H 7.03 0.01 1 117 31 10 TRP HH2 H 7.017 0.01 1 118 31 10 TRP CA C 57.812 0.1 1 119 31 10 TRP CB C 28.507 0.1 1 120 31 10 TRP CD1 C 126.611 0.1 1 121 31 10 TRP CE3 C 121.045 0.1 1 122 31 10 TRP CZ2 C 114.247 0.1 1 123 31 10 TRP CZ3 C 122.262 0.1 1 124 31 10 TRP CH2 C 124.396 0.1 1 125 31 10 TRP N N 120.764 0.05 1 126 31 10 TRP NE1 N 130.92 0.05 1 127 32 11 ARG H H 7.318 0.01 1 128 32 11 ARG HA H 4.161 0.01 1 129 32 11 ARG HB2 H 1.71 0.01 2 130 32 11 ARG HB3 H 1.493 0.01 2 131 32 11 ARG HG2 H 1.218 0.01 2 132 32 11 ARG HG3 H 1.246 0.01 2 133 32 11 ARG HD2 H 2.996 0.01 2 134 32 11 ARG HD3 H 3.015 0.01 2 135 32 11 ARG CA C 56.262 0.1 1 136 32 11 ARG CB C 30.548 0.1 1 137 32 11 ARG CG C 27.036 0.1 1 138 32 11 ARG CD C 43.241 0.1 1 139 32 11 ARG N N 120.786 0.05 1 140 33 12 SER H H 7.836 0.01 1 141 33 12 SER HA H 4.329 0.01 1 142 33 12 SER HB2 H 3.887 0.01 2 143 33 12 SER HB3 H 3.824 0.01 2 144 33 12 SER CA C 58.741 0.1 1 145 33 12 SER CB C 63.884 0.1 1 146 33 12 SER N N 115.787 0.05 1 147 34 13 GLU H H 8.485 0.01 1 148 34 13 GLU HA H 4.196 0.01 1 149 34 13 GLU HB2 H 1.894 0.01 2 150 34 13 GLU HB3 H 2.008 0.01 2 151 34 13 GLU HG2 H 2.216 0.01 2 152 34 13 GLU HG3 H 2.215 0.01 2 153 34 13 GLU CA C 57.565 0.1 1 154 34 13 GLU CB C 30.088 0.1 1 155 34 13 GLU CG C 36.506 0.1 1 156 34 13 GLU N N 122.289 0.05 1 157 35 14 GLU H H 8.222 0.01 1 158 35 14 GLU HA H 4.203 0.01 1 159 35 14 GLU HB2 H 1.883 0.01 2 160 35 14 GLU HB3 H 2.01 0.01 2 161 35 14 GLU HG2 H 2.211 0.01 2 162 35 14 GLU HG3 H 2.176 0.01 2 163 35 14 GLU CA C 56.918 0.1 1 164 35 14 GLU CB C 29.995 0.1 1 165 35 14 GLU CG C 36.307 0.1 1 166 35 14 GLU N N 120.374 0.05 1 167 36 15 ALA H H 8.069 0.01 1 168 36 15 ALA HA H 4.248 0.01 1 169 36 15 ALA HB H 1.353 0.01 1 170 36 15 ALA CA C 52.78 0.1 1 171 36 15 ALA CB C 19.142 0.1 1 172 36 15 ALA N N 123.937 0.05 1 173 37 16 GLN H H 8.163 0.01 1 174 37 16 GLN HA H 4.259 0.01 1 175 37 16 GLN HB2 H 2.082 0.01 2 176 37 16 GLN HB3 H 1.964 0.01 2 177 37 16 GLN HG2 H 2.33 0.01 2 178 37 16 GLN HG3 H 2.3 0.01 2 179 37 16 GLN HE21 H 7.448 0.01 1 180 37 16 GLN HE22 H 6.788 0.01 1 181 37 16 GLN CA C 56.109 0.1 1 182 37 16 GLN CB C 29.45 0.1 1 183 37 16 GLN CG C 33.853 0.1 1 184 37 16 GLN N N 118.851 0.05 1 185 37 16 GLN NE2 N 112.48 0.05 1 186 38 17 ASP H H 8.255 0.01 1 187 38 17 ASP HA H 4.579 0.01 1 188 38 17 ASP HB2 H 2.607 0.01 2 189 38 17 ASP HB3 H 2.702 0.01 2 190 38 17 ASP CA C 54.538 0.1 1 191 38 17 ASP CB C 41.201 0.1 1 192 38 17 ASP N N 120.904 0.05 1 193 39 18 MET H H 8.198 0.01 1 194 39 18 MET HA H 4.483 0.01 1 195 39 18 MET HB2 H 2.139 0.01 2 196 39 18 MET HB3 H 1.993 0.01 2 197 39 18 MET HG2 H 2.606 0.01 2 198 39 18 MET HG3 H 2.489 0.01 2 199 39 18 MET HE H 2.04 0.01 1 200 39 18 MET CA C 55.373 0.1 1 201 39 18 MET CB C 33.009 0.1 1 202 39 18 MET CG C 32.296 0.1 1 203 39 18 MET CE C 17.118 0.1 1 204 39 18 MET N N 120.807 0.05 1 205 40 19 GLY H H 8.034 0.01 1 206 40 19 GLY HA2 H 3.73 0.01 1 207 40 19 GLY HA3 H 3.73 0.01 1 208 40 19 GLY CA C 46.29 0.1 1 209 40 19 GLY N N 115.885 0.05 1 stop_ save_ save_assigned_chem_shift_Eklf_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 PRO C C 176.893 0.1 1 2 2 2 SER H H 8.088 0.01 1 3 2 2 SER HA H 4.326 0.01 1 4 2 2 SER HB2 H 3.881 0.01 2 5 2 2 SER HB3 H 3.783 0.01 2 6 2 2 SER CA C 58.836 0.1 1 7 2 2 SER CB C 63.535 0.1 1 8 2 2 SER N N 112.91 0.05 1 9 3 3 HIS HA H 4.664 0.01 1 10 3 3 HIS HB2 H 2.99 0.01 2 11 3 3 HIS HB3 H 3.592 0.01 2 12 3 3 HIS HD2 H 7.046 0.01 1 13 3 3 HIS HE1 H 7.992 0.01 1 14 3 3 HIS C C 173.889 0.1 1 15 3 3 HIS CA C 56.365 0.1 1 16 3 3 HIS CB C 31.292 0.1 1 17 3 3 HIS CD2 C 118.056 0.1 1 18 3 3 HIS CE1 C 138.135 0.1 1 19 4 4 SER H H 7.853 0.01 1 20 4 4 SER HA H 5.472 0.01 1 21 4 4 SER HB2 H 3.876 0.01 2 22 4 4 SER HB3 H 3.847 0.01 2 23 4 4 SER C C 173.595 0.1 1 24 4 4 SER CA C 57.022 0.1 1 25 4 4 SER CB C 65.929 0.1 1 26 4 4 SER N N 113.318 0.05 1 27 5 5 GLY H H 8.367 0.01 1 28 5 5 GLY HA2 H 4.234 0.01 2 29 5 5 GLY HA3 H 4.066 0.01 2 30 5 5 GLY C C 170.968 0.1 1 31 5 5 GLY CA C 45.537 0.1 1 32 5 5 GLY N N 106.771 0.05 1 33 6 6 ALA H H 8.645 0.01 1 34 6 6 ALA HA H 4.954 0.01 1 35 6 6 ALA HB H 1.546 0.01 1 36 6 6 ALA C C 176.842 0.1 1 37 6 6 ALA CA C 52.663 0.1 1 38 6 6 ALA CB C 19.5 0.1 1 39 6 6 ALA N N 124.994 0.05 1 40 7 7 ALA H H 8.39 0.01 1 41 7 7 ALA HA H 4.661 0.01 1 42 7 7 ALA HB H 1.001 0.01 1 43 7 7 ALA C C 176.701 0.1 1 44 7 7 ALA CA C 51.724 0.1 1 45 7 7 ALA CB C 24.106 0.1 1 46 7 7 ALA N N 119.76 0.05 1 47 8 8 ILE H H 9.363 0.01 1 48 8 8 ILE HA H 5.005 0.01 1 49 8 8 ILE HB H 1.587 0.01 1 50 8 8 ILE HG12 H 1.485 0.01 2 51 8 8 ILE HG13 H 0.968 0.01 2 52 8 8 ILE HG2 H 0.621 0.01 1 53 8 8 ILE HD1 H 0.766 0.01 1 54 8 8 ILE C C 175.241 0.1 1 55 8 8 ILE CA C 59.942 0.1 1 56 8 8 ILE CB C 39.655 0.1 1 57 8 8 ILE CG1 C 29.052 0.1 1 58 8 8 ILE CG2 C 17.452 0.1 1 59 8 8 ILE CD1 C 13.793 0.1 1 60 8 8 ILE N N 125.233 0.05 1 61 9 9 PHE H H 8.463 0.01 1 62 9 9 PHE HA H 4.334 0.01 1 63 9 9 PHE HB2 H 0.313 0.01 2 64 9 9 PHE HB3 H 1.158 0.01 2 65 9 9 PHE HD1 H 6.16 0.01 3 66 9 9 PHE HD2 H 6.16 0.01 3 67 9 9 PHE HE1 H 6.572 0.01 3 68 9 9 PHE HE2 H 6.572 0.01 3 69 9 9 PHE HZ H 6.329 0.01 1 70 9 9 PHE C C 174.042 0.1 1 71 9 9 PHE CA C 56.135 0.1 1 72 9 9 PHE CB C 39.64 0.1 1 73 9 9 PHE CD1 C 131.432 0.1 3 74 9 9 PHE CD2 C 131.432 0.1 3 75 9 9 PHE CE1 C 129.544 0.1 3 76 9 9 PHE CE2 C 129.544 0.1 3 77 9 9 PHE CZ C 128.137 0.1 1 78 9 9 PHE N N 128.457 0.05 1 79 10 10 GLU H H 8.772 0.01 1 80 10 10 GLU HA H 3.21 0.01 1 81 10 10 GLU HB2 H 1.225 0.01 2 82 10 10 GLU HB3 H 1.585 0.01 2 83 10 10 GLU HG2 H 0.991 0.01 2 84 10 10 GLU HG3 H 0.666 0.01 2 85 10 10 GLU C C 175.242 0.1 1 86 10 10 GLU CA C 56.827 0.1 1 87 10 10 GLU CB C 26.803 0.1 1 88 10 10 GLU CG C 35.461 0.1 1 89 10 10 GLU N N 126.16 0.05 1 90 11 11 LYS H H 7.927 0.01 1 91 11 11 LYS HA H 3.417 0.01 1 92 11 11 LYS HB2 H 2.189 0.01 2 93 11 11 LYS HB3 H 1.959 0.01 2 94 11 11 LYS HG2 H 1.179 0.01 2 95 11 11 LYS HG3 H 1.217 0.01 2 96 11 11 LYS HD2 H 1.553 0.01 2 97 11 11 LYS HD3 H 1.616 0.01 2 98 11 11 LYS HE2 H 2.882 0.01 1 99 11 11 LYS HE3 H 2.882 0.01 1 100 11 11 LYS C C 175.578 0.1 1 101 11 11 LYS CA C 58.52 0.1 1 102 11 11 LYS CB C 30.177 0.1 1 103 11 11 LYS CG C 25.753 0.1 1 104 11 11 LYS CD C 29.168 0.1 1 105 11 11 LYS CE C 41.957 0.1 1 106 11 11 LYS N N 105.576 0.05 1 107 12 12 VAL H H 7.933 0.01 1 108 12 12 VAL HA H 4.417 0.01 1 109 12 12 VAL HB H 2.524 0.01 1 110 12 12 VAL HG1 H 1.131 0.01 2 111 12 12 VAL HG2 H 1.482 0.01 2 112 12 12 VAL C C 175.154 0.1 1 113 12 12 VAL CA C 61.783 0.1 1 114 12 12 VAL CB C 34.355 0.1 1 115 12 12 VAL CG1 C 22.217 0.1 2 116 12 12 VAL CG2 C 22.644 0.1 2 117 12 12 VAL N N 123.448 0.05 1 118 13 13 SER H H 8.886 0.01 1 119 13 13 SER HA H 4.624 0.01 1 120 13 13 SER HB2 H 3.983 0.01 2 121 13 13 SER HB3 H 4.028 0.01 2 122 13 13 SER C C 175.373 0.1 1 123 13 13 SER CA C 59.782 0.1 1 124 13 13 SER CB C 63.709 0.1 1 125 13 13 SER N N 121.689 0.05 1 126 14 14 GLY H H 8.305 0.01 1 127 14 14 GLY HA2 H 4.148 0.01 2 128 14 14 GLY HA3 H 4.343 0.01 2 129 14 14 GLY C C 172.777 0.1 1 130 14 14 GLY CA C 46.599 0.1 1 131 14 14 GLY N N 112.953 0.05 1 132 15 15 ILE H H 8.316 0.01 1 133 15 15 ILE HA H 4.817 0.01 1 134 15 15 ILE HB H 1.631 0.01 1 135 15 15 ILE HG12 H 1.08 0.01 2 136 15 15 ILE HG13 H 1.358 0.01 2 137 15 15 ILE HG2 H 0.768 0.01 1 138 15 15 ILE HD1 H 0.762 0.01 1 139 15 15 ILE C C 175.429 0.1 1 140 15 15 ILE CA C 59.373 0.1 1 141 15 15 ILE CB C 41.736 0.1 1 142 15 15 ILE CG1 C 27.49 0.1 1 143 15 15 ILE CG2 C 17.492 0.1 1 144 15 15 ILE CD1 C 12.194 0.1 1 145 15 15 ILE N N 122.882 0.05 1 146 16 16 ILE H H 9.429 0.01 1 147 16 16 ILE HA H 4.969 0.01 1 148 16 16 ILE HB H 1.612 0.01 1 149 16 16 ILE HG12 H 1.569 0.01 2 150 16 16 ILE HG13 H 0.774 0.01 2 151 16 16 ILE HG2 H 0.768 0.01 1 152 16 16 ILE HD1 H 0.149 0.01 1 153 16 16 ILE C C 173.324 0.1 1 154 16 16 ILE CA C 59.917 0.1 1 155 16 16 ILE CB C 41.729 0.1 1 156 16 16 ILE CG1 C 29.854 0.1 1 157 16 16 ILE CG2 C 16.827 0.1 1 158 16 16 ILE CD1 C 13.914 0.1 1 159 16 16 ILE N N 127.381 0.05 1 160 17 17 ALA H H 8.972 0.01 1 161 17 17 ALA HA H 5.106 0.01 1 162 17 17 ALA HB H 1.347 0.01 1 163 17 17 ALA C C 176.234 0.1 1 164 17 17 ALA CA C 51.421 0.1 1 165 17 17 ALA CB C 22.254 0.1 1 166 17 17 ALA N N 127.484 0.05 1 167 18 18 ILE H H 8.676 0.01 1 168 18 18 ILE HA H 4.561 0.01 1 169 18 18 ILE HB H 1.842 0.01 1 170 18 18 ILE HG12 H 0.795 0.01 2 171 18 18 ILE HG13 H 1.525 0.01 2 172 18 18 ILE HG2 H 0.691 0.01 1 173 18 18 ILE HD1 H 0.785 0.01 1 174 18 18 ILE C C 174.316 0.1 1 175 18 18 ILE CA C 60.729 0.1 1 176 18 18 ILE CB C 39.072 0.1 1 177 18 18 ILE CG1 C 28.739 0.1 1 178 18 18 ILE CG2 C 18.137 0.1 1 179 18 18 ILE CD1 C 15.011 0.1 1 180 18 18 ILE N N 122.043 0.05 1 181 19 19 ASN H H 9.375 0.01 1 182 19 19 ASN HA H 5.071 0.01 1 183 19 19 ASN HB2 H 2.731 0.01 2 184 19 19 ASN HB3 H 3.116 0.01 2 185 19 19 ASN HD21 H 7.701 0.01 1 186 19 19 ASN HD22 H 6.85 0.01 1 187 19 19 ASN C C 174.799 0.1 1 188 19 19 ASN CA C 51.676 0.1 1 189 19 19 ASN CB C 39.661 0.1 1 190 19 19 ASN CG C 176.801 0.1 1 191 19 19 ASN N N 127.246 0.05 1 192 19 19 ASN ND2 N 110.283 0.05 1 193 20 20 GLU H H 9.041 0.01 1 194 20 20 GLU HA H 4.693 0.01 1 195 20 20 GLU HB2 H 1.986 0.01 2 196 20 20 GLU HB3 H 2.418 0.01 2 197 20 20 GLU HG2 H 2.064 0.01 2 198 20 20 GLU HG3 H 2.193 0.01 2 199 20 20 GLU C C 176.188 0.1 1 200 20 20 GLU CA C 55.984 0.1 1 201 20 20 GLU CB C 30.972 0.1 1 202 20 20 GLU CG C 39.186 0.1 1 203 20 20 GLU N N 121.287 0.05 1 204 21 21 ASP H H 8.722 0.01 1 205 21 21 ASP HA H 4.614 0.01 1 206 21 21 ASP HB2 H 2.805 0.01 2 207 21 21 ASP HB3 H 2.873 0.01 2 208 21 21 ASP C C 175.717 0.1 1 209 21 21 ASP CA C 55.585 0.1 1 210 21 21 ASP CB C 40.61 0.1 1 211 21 21 ASP N N 120.809 0.05 1 212 22 22 VAL H H 6.837 0.01 1 213 22 22 VAL HA H 4.315 0.01 1 214 22 22 VAL HB H 1.997 0.01 1 215 22 22 VAL HG1 H 0.823 0.01 2 216 22 22 VAL HG2 H 0.773 0.01 2 217 22 22 VAL C C 173.45 0.1 1 218 22 22 VAL CA C 59.16 0.1 1 219 22 22 VAL CB C 34.052 0.1 1 220 22 22 VAL CG1 C 21.304 0.1 2 221 22 22 VAL CG2 C 18.091 0.1 2 222 22 22 VAL N N 112.797 0.05 1 223 23 23 SER H H 8.046 0.01 1 224 23 23 SER HA H 4.732 0.01 1 225 23 23 SER HB2 H 3.606 0.01 2 226 23 23 SER HB3 H 3.734 0.01 2 227 23 23 SER CA C 53.77 0.1 1 228 23 23 SER CB C 64.813 0.1 1 229 23 23 SER N N 114.696 0.05 1 230 24 24 PRO HA H 4.768 0.01 1 231 24 24 PRO HB2 H 2.124 0.01 2 232 24 24 PRO HB3 H 1.802 0.01 2 233 24 24 PRO HG2 H 1.831 0.01 2 234 24 24 PRO HG3 H 1.761 0.01 2 235 24 24 PRO HD2 H 3.5 0.01 2 236 24 24 PRO HD3 H 3.462 0.01 2 237 24 24 PRO C C 174.806 0.1 1 238 24 24 PRO CA C 62.845 0.1 1 239 24 24 PRO CB C 34.822 0.1 1 240 24 24 PRO CG C 26.04 0.1 1 241 24 24 PRO CD C 49.757 0.1 1 242 25 25 ALA H H 7.957 0.01 1 243 25 25 ALA HA H 4.507 0.01 1 244 25 25 ALA HB H 1.54 0.01 1 245 25 25 ALA C C 175.791 0.1 1 246 25 25 ALA CA C 52.621 0.1 1 247 25 25 ALA CB C 20.63 0.1 1 248 25 25 ALA N N 120.155 0.05 1 249 26 26 GLU H H 7.854 0.01 1 250 26 26 GLU HA H 5.037 0.01 1 251 26 26 GLU HB2 H 1.697 0.01 2 252 26 26 GLU HB3 H 1.777 0.01 2 253 26 26 GLU HG2 H 2.34 0.01 2 254 26 26 GLU HG3 H 1.971 0.01 2 255 26 26 GLU C C 174.628 0.1 1 256 26 26 GLU CA C 54.17 0.1 1 257 26 26 GLU CB C 34.56 0.1 1 258 26 26 GLU CG C 36.209 0.1 1 259 26 26 GLU N N 115.165 0.05 1 260 27 27 LEU H H 8.886 0.01 1 261 27 27 LEU HA H 5.023 0.01 1 262 27 27 LEU HB2 H 1.582 0.01 2 263 27 27 LEU HB3 H 1.375 0.01 2 264 27 27 LEU HG H 1.411 0.01 1 265 27 27 LEU HD1 H 0.645 0.01 2 266 27 27 LEU HD2 H 0.562 0.01 2 267 27 27 LEU C C 174.752 0.1 1 268 27 27 LEU CA C 53.796 0.1 1 269 27 27 LEU CB C 45.71 0.1 1 270 27 27 LEU CG C 26.44 0.1 1 271 27 27 LEU CD1 C 27.341 0.1 2 272 27 27 LEU CD2 C 25.862 0.1 2 273 27 27 LEU N N 124.285 0.05 1 274 28 28 THR H H 9.277 0.01 1 275 28 28 THR HA H 5.217 0.01 1 276 28 28 THR HB H 3.947 0.01 1 277 28 28 THR HG2 H 1.124 0.01 1 278 28 28 THR C C 172.695 0.1 1 279 28 28 THR CA C 61.266 0.1 1 280 28 28 THR CB C 71.53 0.1 1 281 28 28 THR CG2 C 22.033 0.1 1 282 28 28 THR N N 121.462 0.05 1 283 29 29 TRP H H 9.431 0.01 1 284 29 29 TRP HA H 5.435 0.01 1 285 29 29 TRP HB2 H 3.164 0.01 2 286 29 29 TRP HB3 H 2.789 0.01 2 287 29 29 TRP HD1 H 6.677 0.01 1 288 29 29 TRP HE1 H 9.504 0.01 1 289 29 29 TRP HZ2 H 7.635 0.01 1 290 29 29 TRP HH2 H 7.099 0.01 1 291 29 29 TRP C C 173.937 0.1 1 292 29 29 TRP CA C 55.909 0.1 1 293 29 29 TRP CB C 32.143 0.1 1 294 29 29 TRP CD1 C 124.125 0.1 1 295 29 29 TRP CZ2 C 114.526 0.1 1 296 29 29 TRP CH2 C 124.125 0.1 1 297 29 29 TRP N N 128.652 0.05 1 298 29 29 TRP NE1 N 125.737 0.05 1 299 30 30 ARG H H 7.621 0.01 1 300 30 30 ARG HA H 4.828 0.01 1 301 30 30 ARG HB2 H 1.409 0.01 2 302 30 30 ARG HB3 H 1.53 0.01 2 303 30 30 ARG HG2 H 1.585 0.01 2 304 30 30 ARG HG3 H 1.427 0.01 2 305 30 30 ARG HD2 H 3.064 0.01 2 306 30 30 ARG HD3 H 3.009 0.01 2 307 30 30 ARG HE H 7.121 0.01 1 308 30 30 ARG C C 174.785 0.1 1 309 30 30 ARG CA C 53.414 0.1 1 310 30 30 ARG CB C 33.851 0.1 1 311 30 30 ARG CG C 27.32 0.1 1 312 30 30 ARG CD C 43.42 0.1 1 313 30 30 ARG N N 126.136 0.05 1 314 30 30 ARG NE N 84.215 0.05 1 315 31 31 SER H H 8.088 0.01 1 316 31 31 SER HA H 4.112 0.01 1 317 31 31 SER HB2 H 4.001 0.01 2 318 31 31 SER HB3 H 4.468 0.01 2 319 31 31 SER C C 176.496 0.1 1 320 31 31 SER CA C 58.123 0.1 1 321 31 31 SER CB C 64.195 0.1 1 322 31 31 SER N N 118.127 0.05 1 323 32 32 THR H H 8.549 0.01 1 324 32 32 THR HA H 3.853 0.01 1 325 32 32 THR HB H 4.127 0.01 1 326 32 32 THR HG2 H 1.218 0.01 1 327 32 32 THR C C 175.654 0.1 1 328 32 32 THR CA C 66.34 0.1 1 329 32 32 THR CB C 68.497 0.1 1 330 32 32 THR CG2 C 22.536 0.1 1 331 32 32 THR N N 118.916 0.05 1 332 33 33 ASP H H 8.219 0.01 1 333 33 33 ASP HA H 4.621 0.01 1 334 33 33 ASP HB2 H 2.709 0.01 2 335 33 33 ASP HB3 H 2.787 0.01 2 336 33 33 ASP C C 177.102 0.1 1 337 33 33 ASP CA C 54.381 0.1 1 338 33 33 ASP CB C 41.075 0.1 1 339 33 33 ASP N N 117.019 0.05 1 340 34 34 GLY H H 7.93 0.01 1 341 34 34 GLY HA2 H 3.523 0.01 2 342 34 34 GLY HA3 H 4.118 0.01 2 343 34 34 GLY C C 173.821 0.1 1 344 34 34 GLY CA C 45.522 0.1 1 345 34 34 GLY N N 108.895 0.05 1 346 35 35 ASP H H 8.247 0.01 1 347 35 35 ASP HA H 4.51 0.01 1 348 35 35 ASP HB2 H 2.726 0.01 2 349 35 35 ASP HB3 H 2.645 0.01 2 350 35 35 ASP C C 175.418 0.1 1 351 35 35 ASP CA C 54.877 0.1 1 352 35 35 ASP CB C 41.163 0.1 1 353 35 35 ASP N N 117.786 0.05 1 354 36 36 LYS H H 7.769 0.01 1 355 36 36 LYS HA H 4.817 0.01 1 356 36 36 LYS HB2 H 2.159 0.01 2 357 36 36 LYS HB3 H 1.93 0.01 2 358 36 36 LYS HG2 H 1.743 0.01 2 359 36 36 LYS HG3 H 1.617 0.01 2 360 36 36 LYS HD2 H 1.974 0.01 1 361 36 36 LYS HE2 H 3.164 0.01 2 362 36 36 LYS HE3 H 3.188 0.01 2 363 36 36 LYS C C 174.562 0.1 1 364 36 36 LYS CA C 55.62 0.1 1 365 36 36 LYS CB C 35.816 0.1 1 366 36 36 LYS CG C 25.509 0.1 1 367 36 36 LYS CD C 29.497 0.1 1 368 36 36 LYS CE C 42.286 0.1 1 369 36 36 LYS N N 120.066 0.05 1 370 37 37 VAL H H 8.538 0.01 1 371 37 37 VAL HA H 5.276 0.01 1 372 37 37 VAL HB H 2.034 0.01 1 373 37 37 VAL HG1 H 0.911 0.01 1 374 37 37 VAL HG2 H 0.912 0.01 1 375 37 37 VAL C C 175.175 0.1 1 376 37 37 VAL CA C 60.314 0.1 1 377 37 37 VAL CB C 35.979 0.1 1 378 37 37 VAL CG1 C 21.001 0.1 1 379 37 37 VAL CG2 C 21.001 0.1 1 380 37 37 VAL N N 121.518 0.05 1 381 38 38 HIS H H 9.664 0.01 1 382 38 38 HIS HA H 5.068 0.01 1 383 38 38 HIS HB2 H 2.774 0.01 2 384 38 38 HIS HB3 H 2.756 0.01 2 385 38 38 HIS HD2 H 7.352 0.01 1 386 38 38 HIS HE1 H 8.254 0.01 1 387 38 38 HIS C C 173.391 0.1 1 388 38 38 HIS CA C 56.095 0.1 1 389 38 38 HIS CB C 34.078 0.1 1 390 38 38 HIS CD2 C 120.472 0.1 1 391 38 38 HIS CE1 C 138.605 0.1 1 392 38 38 HIS N N 126.015 0.05 1 393 39 39 THR H H 8.387 0.01 1 394 39 39 THR HA H 5.146 0.01 1 395 39 39 THR HB H 3.735 0.01 1 396 39 39 THR HG2 H 0.976 0.01 1 397 39 39 THR C C 173.134 0.1 1 398 39 39 THR CA C 61.563 0.1 1 399 39 39 THR CB C 70.804 0.1 1 400 39 39 THR CG2 C 21.573 0.1 1 401 39 39 THR N N 124.088 0.05 1 402 40 40 VAL H H 9.381 0.01 1 403 40 40 VAL HA H 3.909 0.01 1 404 40 40 VAL HB H 1.776 0.01 1 405 40 40 VAL HG1 H 0.371 0.01 2 406 40 40 VAL HG2 H 0.261 0.01 2 407 40 40 VAL C C 174.775 0.1 1 408 40 40 VAL CA C 60.406 0.1 1 409 40 40 VAL CB C 34.418 0.1 1 410 40 40 VAL CG1 C 21.306 0.1 2 411 40 40 VAL CG2 C 19.823 0.1 2 412 40 40 VAL N N 125.776 0.05 1 413 41 41 VAL H H 9.045 0.01 1 414 41 41 VAL HA H 3.965 0.01 1 415 41 41 VAL HB H 2.034 0.01 1 416 41 41 VAL HG1 H 0.936 0.01 2 417 41 41 VAL HG2 H 1.006 0.01 2 418 41 41 VAL C C 179.387 0.1 1 419 41 41 VAL CA C 63.602 0.1 1 420 41 41 VAL CB C 31.028 0.1 1 421 41 41 VAL CG1 C 21.256 0.1 2 422 41 41 VAL CG2 C 22.053 0.1 2 423 41 41 VAL N N 129.534 0.05 1 424 42 42 LEU H H 9.181 0.01 1 425 42 42 LEU HA H 3.937 0.01 1 426 42 42 LEU HB2 H 1.449 0.01 2 427 42 42 LEU HB3 H 1.797 0.01 2 428 42 42 LEU HG H 1.696 0.01 1 429 42 42 LEU HD1 H 0.741 0.01 2 430 42 42 LEU HD2 H 0.691 0.01 2 431 42 42 LEU C C 176.225 0.1 1 432 42 42 LEU CA C 58.68 0.1 1 433 42 42 LEU CB C 40.739 0.1 1 434 42 42 LEU CG C 27.682 0.1 1 435 42 42 LEU CD1 C 26.51 0.1 2 436 42 42 LEU CD2 C 22.933 0.1 2 437 42 42 LEU N N 129.828 0.05 1 438 43 43 SER H H 6.961 0.01 1 439 43 43 SER HA H 3.912 0.01 1 440 43 43 SER HB2 H 3.768 0.01 2 441 43 43 SER HB3 H 2.603 0.01 2 442 43 43 SER C C 175.469 0.1 1 443 43 43 SER CA C 59.503 0.1 1 444 43 43 SER CB C 61.352 0.1 1 445 43 43 SER N N 109.419 0.05 1 446 44 44 THR H H 7.644 0.01 1 447 44 44 THR HA H 4.507 0.01 1 448 44 44 THR HB H 4.654 0.01 1 449 44 44 THR HG2 H 1.211 0.01 1 450 44 44 THR C C 173.613 0.1 1 451 44 44 THR CA C 62.144 0.1 1 452 44 44 THR CB C 69.874 0.1 1 453 44 44 THR CG2 C 21.11 0.1 1 454 44 44 THR N N 110.07 0.05 1 455 45 45 ILE H H 7.1 0.01 1 456 45 45 ILE HA H 4.309 0.01 1 457 45 45 ILE HB H 2.307 0.01 1 458 45 45 ILE HG12 H 1.07 0.01 2 459 45 45 ILE HG13 H 1.714 0.01 2 460 45 45 ILE HG2 H 0.883 0.01 1 461 45 45 ILE HD1 H 0.589 0.01 1 462 45 45 ILE C C 173.852 0.1 1 463 45 45 ILE CA C 57.902 0.1 1 464 45 45 ILE CB C 36.593 0.1 1 465 45 45 ILE CG1 C 27.298 0.1 1 466 45 45 ILE CG2 C 19.164 0.1 1 467 45 45 ILE CD1 C 8.995 0.1 1 468 45 45 ILE N N 120.583 0.05 1 469 46 46 ASP H H 9.325 0.01 1 470 46 46 ASP HA H 4.673 0.01 1 471 46 46 ASP HB2 H 2.515 0.01 2 472 46 46 ASP HB3 H 2.436 0.01 2 473 46 46 ASP C C 175.544 0.1 1 474 46 46 ASP CA C 54.915 0.1 1 475 46 46 ASP CB C 44.717 0.1 1 476 46 46 ASP N N 126.054 0.05 1 477 47 47 LYS H H 7.551 0.01 1 478 47 47 LYS HA H 4.715 0.01 1 479 47 47 LYS HB2 H 1.811 0.01 2 480 47 47 LYS HB3 H 1.671 0.01 2 481 47 47 LYS HG2 H 1.246 0.01 2 482 47 47 LYS HG3 H 1.306 0.01 2 483 47 47 LYS HD2 H 1.667 0.01 2 484 47 47 LYS HD3 H 1.598 0.01 2 485 47 47 LYS HE2 H 2.934 0.01 2 486 47 47 LYS HE3 H 2.919 0.01 2 487 47 47 LYS C C 172.795 0.1 1 488 47 47 LYS CA C 54.71 0.1 1 489 47 47 LYS CB C 36.605 0.1 1 490 47 47 LYS CG C 24.464 0.1 1 491 47 47 LYS CD C 29.54 0.1 1 492 47 47 LYS CE C 42.071 0.1 1 493 47 47 LYS N N 112.332 0.05 1 494 48 48 LEU H H 8.685 0.01 1 495 48 48 LEU HA H 5.202 0.01 1 496 48 48 LEU HB2 H 1.696 0.01 2 497 48 48 LEU HB3 H 1.361 0.01 2 498 48 48 LEU HG H 1.578 0.01 1 499 48 48 LEU HD1 H 0.929 0.01 2 500 48 48 LEU HD2 H 0.899 0.01 2 501 48 48 LEU C C 175.623 0.1 1 502 48 48 LEU CA C 53.367 0.1 1 503 48 48 LEU CB C 45.178 0.1 1 504 48 48 LEU CG C 27.69 0.1 1 505 48 48 LEU CD1 C 26.734 0.1 2 506 48 48 LEU CD2 C 27.185 0.1 2 507 48 48 LEU N N 122.662 0.05 1 508 49 49 GLN H H 9.256 0.01 1 509 49 49 GLN HA H 4.864 0.01 1 510 49 49 GLN HB2 H 2.094 0.01 2 511 49 49 GLN HB3 H 1.804 0.01 2 512 49 49 GLN HG2 H 2.341 0.01 2 513 49 49 GLN HG3 H 1.955 0.01 2 514 49 49 GLN HE21 H 6.821 0.01 1 515 49 49 GLN HE22 H 7.481 0.01 1 516 49 49 GLN C C 173.927 0.1 1 517 49 49 GLN CA C 54.295 0.1 1 518 49 49 GLN CB C 32.551 0.1 1 519 49 49 GLN CG C 34.029 0.1 1 520 49 49 GLN CD C 178.664 0.1 1 521 49 49 GLN N N 123.507 0.05 1 522 49 49 GLN NE2 N 110.477 0.05 1 523 50 50 ALA H H 8.922 0.01 1 524 50 50 ALA HA H 5.734 0.01 1 525 50 50 ALA HB H 1.373 0.01 1 526 50 50 ALA C C 177.391 0.1 1 527 50 50 ALA CA C 50.17 0.1 1 528 50 50 ALA CB C 23.559 0.1 1 529 50 50 ALA N N 124.522 0.05 1 530 51 51 THR H H 8.292 0.01 1 531 51 51 THR HA H 3.72 0.01 1 532 51 51 THR HB H 3.828 0.01 1 533 51 51 THR HG2 H 0.753 0.01 1 534 51 51 THR CA C 59.243 0.1 1 535 51 51 THR CB C 67.614 0.1 1 536 51 51 THR CG2 C 24.192 0.1 1 537 51 51 THR N N 113.389 0.05 1 538 52 52 PRO HA H 4.528 0.01 1 539 52 52 PRO HB2 H 1.975 0.01 2 540 52 52 PRO HB3 H 2.318 0.01 2 541 52 52 PRO HG2 H 1.98 0.01 2 542 52 52 PRO HG3 H 1.774 0.01 2 543 52 52 PRO HD2 H 2.561 0.01 2 544 52 52 PRO HD3 H 3.05 0.01 2 545 52 52 PRO CA C 62.331 0.1 1 546 52 52 PRO CB C 32.432 0.1 1 547 52 52 PRO CG C 27.494 0.1 1 548 52 52 PRO CD C 49.935 0.1 1 549 53 53 ALA HA H 3.993 0.01 1 550 53 53 ALA HB H 1.417 0.01 1 551 53 53 ALA C C 177.539 0.1 1 552 53 53 ALA CA C 54.785 0.1 1 553 53 53 ALA CB C 18.013 0.1 1 554 54 54 SER H H 7.574 0.01 1 555 54 54 SER HA H 4.225 0.01 1 556 54 54 SER HB2 H 4.056 0.01 2 557 54 54 SER HB3 H 3.802 0.01 2 558 54 54 SER C C 174.885 0.1 1 559 54 54 SER CA C 58.054 0.1 1 560 54 54 SER CB C 63.008 0.1 1 561 54 54 SER N N 107.027 0.05 1 562 55 55 SER H H 7.5 0.01 1 563 55 55 SER HA H 4.472 0.01 1 564 55 55 SER HB2 H 3.683 0.01 2 565 55 55 SER HB3 H 3.606 0.01 2 566 55 55 SER C C 174.799 0.1 1 567 55 55 SER CA C 57.524 0.1 1 568 55 55 SER CB C 64.075 0.1 1 569 55 55 SER N N 116.593 0.05 1 570 56 56 GLU H H 8.931 0.01 1 571 56 56 GLU HA H 4.131 0.01 1 572 56 56 GLU HB2 H 2.04 0.01 2 573 56 56 GLU HB3 H 2.118 0.01 2 574 56 56 GLU HG2 H 2.263 0.01 2 575 56 56 GLU HG3 H 2.374 0.01 2 576 56 56 GLU C C 177.587 0.1 1 577 56 56 GLU CA C 57.849 0.1 1 578 56 56 GLU CB C 29.436 0.1 1 579 56 56 GLU CG C 36.369 0.1 1 580 56 56 GLU N N 125.203 0.05 1 581 57 57 LYS H H 7.957 0.01 1 582 57 57 LYS HA H 4.28 0.01 1 583 57 57 LYS HB2 H 1.664 0.01 2 584 57 57 LYS HB3 H 1.564 0.01 2 585 57 57 LYS HG2 H 1.404 0.01 2 586 57 57 LYS HG3 H 1.343 0.01 2 587 57 57 LYS HD2 H 1.61 0.01 2 588 57 57 LYS HD3 H 1.681 0.01 2 589 57 57 LYS HE2 H 2.951 0.01 1 590 57 57 LYS C C 175.703 0.1 1 591 57 57 LYS CA C 55.319 0.1 1 592 57 57 LYS CB C 33.443 0.1 1 593 57 57 LYS CG C 25.099 0.1 1 594 57 57 LYS CD C 29.06 0.1 1 595 57 57 LYS CE C 42.075 0.1 1 596 57 57 LYS N N 118.565 0.05 1 597 58 58 MET H H 8.87 0.01 1 598 58 58 MET HA H 4.293 0.01 1 599 58 58 MET HB2 H 2.072 0.01 2 600 58 58 MET HB3 H 2.421 0.01 2 601 58 58 MET HG2 H 2.279 0.01 1 602 58 58 MET HG3 H 2.279 0.01 1 603 58 58 MET HE H 2.04 0.01 1 604 58 58 MET C C 174.17 0.1 1 605 58 58 MET CA C 55.045 0.1 1 606 58 58 MET CB C 34.914 0.1 1 607 58 58 MET CG C 32.398 0.1 1 608 58 58 MET CE C 17.676 0.1 1 609 58 58 MET N N 124.311 0.05 1 610 59 59 MET H H 8.401 0.01 1 611 59 59 MET HA H 5.801 0.01 1 612 59 59 MET HB2 H 1.995 0.01 2 613 59 59 MET HB3 H 2.369 0.01 2 614 59 59 MET HG2 H 2.827 0.01 2 615 59 59 MET HG3 H 2.392 0.01 2 616 59 59 MET HE H 2.066 0.01 1 617 59 59 MET C C 174.079 0.1 1 618 59 59 MET CA C 54.989 0.1 1 619 59 59 MET CB C 39.312 0.1 1 620 59 59 MET CG C 32.259 0.1 1 621 59 59 MET CE C 17.81 0.1 1 622 59 59 MET N N 120.903 0.05 1 623 60 60 LEU H H 9.102 0.01 1 624 60 60 LEU HA H 5.601 0.01 1 625 60 60 LEU HB2 H 1.854 0.01 2 626 60 60 LEU HB3 H 1.707 0.01 2 627 60 60 LEU HG H 1.882 0.01 1 628 60 60 LEU HD1 H 1.016 0.01 2 629 60 60 LEU HD2 H 0.874 0.01 2 630 60 60 LEU C C 175.332 0.1 1 631 60 60 LEU CA C 53.303 0.1 1 632 60 60 LEU CB C 47.471 0.1 1 633 60 60 LEU CG C 26.979 0.1 1 634 60 60 LEU CD1 C 25.085 0.1 2 635 60 60 LEU CD2 C 25.632 0.1 2 636 60 60 LEU N N 118.596 0.05 1 637 61 61 ARG H H 9.455 0.01 1 638 61 61 ARG HA H 5.445 0.01 1 639 61 61 ARG HB2 H 1.349 0.01 2 640 61 61 ARG HB3 H 1.08 0.01 2 641 61 61 ARG HG2 H 1.037 0.01 2 642 61 61 ARG HG3 H 1.146 0.01 2 643 61 61 ARG HD2 H 2.624 0.01 2 644 61 61 ARG HD3 H 2.447 0.01 2 645 61 61 ARG C C 173.959 0.1 1 646 61 61 ARG CA C 54.565 0.1 1 647 61 61 ARG CB C 34.431 0.1 1 648 61 61 ARG CG C 26.844 0.1 1 649 61 61 ARG CD C 44.213 0.1 1 650 61 61 ARG N N 121.316 0.05 1 651 62 62 LEU H H 9.276 0.01 1 652 62 62 LEU HA H 5.041 0.01 1 653 62 62 LEU HB2 H 1.945 0.01 2 654 62 62 LEU HB3 H 1.684 0.01 2 655 62 62 LEU HG H 1.851 0.01 1 656 62 62 LEU HD1 H 1.003 0.01 2 657 62 62 LEU HD2 H 0.919 0.01 2 658 62 62 LEU C C 175.479 0.1 1 659 62 62 LEU CA C 54.391 0.1 1 660 62 62 LEU CB C 43.076 0.1 1 661 62 62 LEU CG C 29.104 0.1 1 662 62 62 LEU CD1 C 25.533 0.1 2 663 62 62 LEU CD2 C 26.628 0.1 2 664 62 62 LEU N N 125.915 0.05 1 665 63 63 ILE H H 8.918 0.01 1 666 63 63 ILE HA H 4.593 0.01 1 667 63 63 ILE HB H 1.877 0.01 1 668 63 63 ILE HG12 H 1.259 0.01 2 669 63 63 ILE HG13 H 1.005 0.01 2 670 63 63 ILE HG2 H 1.04 0.01 1 671 63 63 ILE HD1 H 0.601 0.01 1 672 63 63 ILE C C 176.358 0.1 1 673 63 63 ILE CA C 59.743 0.1 1 674 63 63 ILE CB C 38.784 0.1 1 675 63 63 ILE CG1 C 27.384 0.1 1 676 63 63 ILE CG2 C 17.72 0.1 1 677 63 63 ILE CD1 C 11.964 0.1 1 678 63 63 ILE N N 123.137 0.05 1 679 64 64 GLY H H 9.306 0.01 1 680 64 64 GLY HA2 H 4.059 0.01 2 681 64 64 GLY HA3 H 4.712 0.01 2 682 64 64 GLY C C 172.546 0.1 1 683 64 64 GLY CA C 45.452 0.1 1 684 64 64 GLY N N 115.236 0.05 1 685 65 65 LYS H H 8.363 0.01 1 686 65 65 LYS HA H 4.295 0.01 1 687 65 65 LYS HB2 H 1.592 0.01 2 688 65 65 LYS HB3 H 1.893 0.01 2 689 65 65 LYS HG2 H 1.418 0.01 2 690 65 65 LYS HG3 H 1.214 0.01 2 691 65 65 LYS HD2 H 1.722 0.01 2 692 65 65 LYS HD3 H 1.625 0.01 2 693 65 65 LYS HE2 H 2.859 0.01 2 694 65 65 LYS HE3 H 2.942 0.01 2 695 65 65 LYS C C 177.346 0.1 1 696 65 65 LYS CA C 56.586 0.1 1 697 65 65 LYS CB C 34.433 0.1 1 698 65 65 LYS CG C 26.338 0.1 1 699 65 65 LYS CD C 29.739 0.1 1 700 65 65 LYS CE C 42.37 0.1 1 701 65 65 LYS N N 119.24 0.05 1 702 66 66 VAL H H 8.604 0.01 1 703 66 66 VAL HA H 4.103 0.01 1 704 66 66 VAL HB H 1.969 0.01 1 705 66 66 VAL HG1 H 0.845 0.01 2 706 66 66 VAL HG2 H 0.897 0.01 2 707 66 66 VAL C C 175.254 0.1 1 708 66 66 VAL CA C 62.014 0.1 1 709 66 66 VAL CB C 33.402 0.1 1 710 66 66 VAL CG1 C 21.336 0.1 2 711 66 66 VAL CG2 C 21.031 0.1 2 712 66 66 VAL N N 121.723 0.05 1 713 67 67 ASP H H 8.471 0.01 1 714 67 67 ASP HA H 4.71 0.01 1 715 67 67 ASP HB2 H 2.821 0.01 2 716 67 67 ASP HB3 H 2.58 0.01 2 717 67 67 ASP C C 176.663 0.1 1 718 67 67 ASP CA C 53.123 0.1 1 719 67 67 ASP CB C 41.022 0.1 1 720 67 67 ASP N N 125.202 0.05 1 721 68 68 GLU H H 8.737 0.01 1 722 68 68 GLU HA H 4.113 0.01 1 723 68 68 GLU HB2 H 1.983 0.01 2 724 68 68 GLU HB3 H 2.175 0.01 2 725 68 68 GLU HG2 H 2.346 0.01 2 726 68 68 GLU HG3 H 2.242 0.01 2 727 68 68 GLU C C 177.331 0.1 1 728 68 68 GLU CA C 57.714 0.1 1 729 68 68 GLU CB C 29.722 0.1 1 730 68 68 GLU CG C 36.579 0.1 1 731 68 68 GLU N N 124.143 0.05 1 732 69 69 SER H H 8.49 0.01 1 733 69 69 SER HA H 4.306 0.01 1 734 69 69 SER HB2 H 3.935 0.01 2 735 69 69 SER HB3 H 3.982 0.01 2 736 69 69 SER C C 175.198 0.1 1 737 69 69 SER CA C 60.022 0.1 1 738 69 69 SER CB C 63.371 0.1 1 739 69 69 SER N N 115.428 0.05 1 740 70 70 LYS H H 7.713 0.01 1 741 70 70 LYS HA H 4.401 0.01 1 742 70 70 LYS HB2 H 1.759 0.01 2 743 70 70 LYS HB3 H 1.927 0.01 2 744 70 70 LYS HG2 H 1.461 0.01 2 745 70 70 LYS HG3 H 1.353 0.01 2 746 70 70 LYS HD2 H 1.66 0.01 1 747 70 70 LYS HE2 H 2.989 0.01 1 748 70 70 LYS HE3 H 2.989 0.01 1 749 70 70 LYS C C 177.067 0.1 1 750 70 70 LYS CA C 55.451 0.1 1 751 70 70 LYS CB C 32.569 0.1 1 752 70 70 LYS CG C 24.931 0.1 1 753 70 70 LYS CD C 28.839 0.1 1 754 70 70 LYS CE C 42.307 0.1 1 755 70 70 LYS N N 121.572 0.05 1 756 71 71 LYS H H 7.793 0.01 1 757 71 71 LYS HA H 4.403 0.01 1 758 71 71 LYS HB2 H 1.763 0.01 2 759 71 71 LYS HB3 H 1.802 0.01 2 760 71 71 LYS HG2 H 1.387 0.01 2 761 71 71 LYS HG3 H 1.467 0.01 2 762 71 71 LYS HD2 H 1.624 0.01 2 763 71 71 LYS HD3 H 1.696 0.01 2 764 71 71 LYS HE2 H 2.94 0.01 1 765 71 71 LYS HE3 H 2.94 0.01 1 766 71 71 LYS C C 176.228 0.1 1 767 71 71 LYS CA C 56.595 0.1 1 768 71 71 LYS CB C 33.301 0.1 1 769 71 71 LYS CG C 25.084 0.1 1 770 71 71 LYS CD C 29.355 0.1 1 771 71 71 LYS CE C 42.098 0.1 1 772 71 71 LYS N N 120.79 0.05 1 773 72 72 ARG H H 8.422 0.01 1 774 72 72 ARG HA H 4.575 0.01 1 775 72 72 ARG HB2 H 1.778 0.01 2 776 72 72 ARG HB3 H 1.901 0.01 2 777 72 72 ARG HG2 H 1.585 0.01 1 778 72 72 ARG HG3 H 1.585 0.01 1 779 72 72 ARG HD2 H 3.19 0.01 1 780 72 72 ARG HD3 H 3.19 0.01 1 781 72 72 ARG C C 175.353 0.1 1 782 72 72 ARG CA C 55.079 0.1 1 783 72 72 ARG CB C 32.2 0.1 1 784 72 72 ARG CG C 27.096 0.1 1 785 72 72 ARG CD C 43.222 0.1 1 786 72 72 ARG N N 121.874 0.05 1 787 73 73 LYS H H 8.393 0.01 1 788 73 73 LYS HA H 4.894 0.01 1 789 73 73 LYS HB3 H 1.723 0.01 1 790 73 73 LYS HG2 H 1.419 0.01 2 791 73 73 LYS HG3 H 1.314 0.01 2 792 73 73 LYS HD2 H 1.617 0.01 1 793 73 73 LYS HE2 H 2.957 0.01 1 794 73 73 LYS HE3 H 2.957 0.01 1 795 73 73 LYS C C 176.991 0.1 1 796 73 73 LYS CA C 55.355 0.1 1 797 73 73 LYS CB C 34.651 0.1 1 798 73 73 LYS CG C 25.248 0.1 1 799 73 73 LYS CD C 29.292 0.1 1 800 73 73 LYS CE C 42.365 0.1 1 801 73 73 LYS N N 121.074 0.05 1 802 74 74 ASP H H 8.572 0.01 1 803 74 74 ASP HA H 4.641 0.01 1 804 74 74 ASP HB2 H 3.157 0.01 2 805 74 74 ASP HB3 H 2.635 0.01 2 806 74 74 ASP C C 177.391 0.1 1 807 74 74 ASP CA C 52.932 0.1 1 808 74 74 ASP CB C 41.085 0.1 1 809 74 74 ASP N N 121.668 0.05 1 810 75 75 ASN H H 8.416 0.01 1 811 75 75 ASN HA H 4.537 0.01 1 812 75 75 ASN HB2 H 2.858 0.01 1 813 75 75 ASN HD21 H 7.646 0.01 1 814 75 75 ASN HD22 H 6.945 0.01 1 815 75 75 ASN C C 175.959 0.1 1 816 75 75 ASN CA C 54.836 0.1 1 817 75 75 ASN CB C 38.226 0.1 1 818 75 75 ASN CG C 177.334 0.1 1 819 75 75 ASN N N 116.067 0.05 1 820 75 75 ASN ND2 N 112.909 0.05 1 821 76 76 GLU H H 8.167 0.01 1 822 76 76 GLU HA H 4.376 0.01 1 823 76 76 GLU HB2 H 2.217 0.01 2 824 76 76 GLU HB3 H 1.968 0.01 2 825 76 76 GLU HG2 H 2.23 0.01 2 826 76 76 GLU HG3 H 2.222 0.01 2 827 76 76 GLU C C 176.581 0.1 1 828 76 76 GLU CA C 56.277 0.1 1 829 76 76 GLU CB C 30.3 0.1 1 830 76 76 GLU CG C 36.837 0.1 1 831 76 76 GLU N N 118.787 0.05 1 832 77 77 GLY H H 8.118 0.01 1 833 77 77 GLY HA2 H 3.67 0.01 2 834 77 77 GLY HA3 H 4.186 0.01 2 835 77 77 GLY C C 174.24 0.1 1 836 77 77 GLY CA C 45.322 0.1 1 837 77 77 GLY N N 107.863 0.05 1 838 78 78 ASN H H 8.545 0.01 1 839 78 78 ASN HA H 4.74 0.01 1 840 78 78 ASN HB2 H 2.66 0.01 2 841 78 78 ASN HB3 H 2.85 0.01 2 842 78 78 ASN HD21 H 7.061 0.01 1 843 78 78 ASN HD22 H 8.218 0.01 1 844 78 78 ASN C C 175.065 0.1 1 845 78 78 ASN CA C 52.872 0.1 1 846 78 78 ASN CB C 39.068 0.1 1 847 78 78 ASN CG C 176.959 0.1 1 848 78 78 ASN N N 119.551 0.05 1 849 78 78 ASN ND2 N 116.444 0.05 1 850 79 79 GLU H H 8.68 0.01 1 851 79 79 GLU HA H 4.463 0.01 1 852 79 79 GLU HB2 H 1.929 0.01 1 853 79 79 GLU HB3 H 1.929 0.01 1 854 79 79 GLU HG2 H 2.274 0.01 2 855 79 79 GLU HG3 H 2.107 0.01 2 856 79 79 GLU C C 176.333 0.1 1 857 79 79 GLU CA C 56.737 0.1 1 858 79 79 GLU CB C 30.641 0.1 1 859 79 79 GLU CG C 36.916 0.1 1 860 79 79 GLU N N 121.388 0.05 1 861 80 80 VAL H H 8.546 0.01 1 862 80 80 VAL HA H 4.252 0.01 1 863 80 80 VAL HB H 1.965 0.01 1 864 80 80 VAL HG1 H 0.863 0.01 2 865 80 80 VAL HG2 H 0.848 0.01 2 866 80 80 VAL C C 175.574 0.1 1 867 80 80 VAL CA C 61.446 0.1 1 868 80 80 VAL CB C 33.645 0.1 1 869 80 80 VAL CG1 C 20.536 0.1 2 870 80 80 VAL CG2 C 21.12 0.1 2 871 80 80 VAL N N 123.554 0.05 1 872 81 81 VAL H H 8.384 0.01 1 873 81 81 VAL HA H 4.435 0.01 1 874 81 81 VAL HB H 2.041 0.01 1 875 81 81 VAL HG1 H 0.943 0.01 2 876 81 81 VAL HG2 H 0.979 0.01 2 877 81 81 VAL CA C 59.577 0.1 1 878 81 81 VAL CB C 32.968 0.1 1 879 81 81 VAL CG1 C 20.559 0.1 2 880 81 81 VAL CG2 C 21.27 0.1 2 881 81 81 VAL N N 126.094 0.05 1 882 82 82 PRO HA H 4.416 0.01 1 883 82 82 PRO HB2 H 2.26 0.01 2 884 82 82 PRO HB3 H 1.856 0.01 2 885 82 82 PRO HG2 H 1.941 0.01 2 886 82 82 PRO HG3 H 2.035 0.01 2 887 82 82 PRO HD2 H 3.853 0.01 2 888 82 82 PRO HD3 H 3.643 0.01 2 889 82 82 PRO C C 176.069 0.1 1 890 82 82 PRO CA C 62.687 0.1 1 891 82 82 PRO CB C 32.378 0.1 1 892 82 82 PRO CG C 27.605 0.1 1 893 82 82 PRO CD C 51.15 0.1 1 894 83 83 LYS H H 8.312 0.01 1 895 83 83 LYS HA H 4.543 0.01 1 896 83 83 LYS HB2 H 1.786 0.01 2 897 83 83 LYS HB3 H 1.673 0.01 2 898 83 83 LYS HG2 H 1.501 0.01 2 899 83 83 LYS HG3 H 1.454 0.01 2 900 83 83 LYS CA C 53.831 0.1 1 901 83 83 LYS CB C 32.46 0.1 1 902 83 83 LYS CG C 24.717 0.1 1 903 83 83 LYS N N 121.611 0.05 1 904 84 84 PRO HA H 4.31 0.01 1 905 84 84 PRO HB2 H 1.785 0.01 2 906 84 84 PRO HB3 H 2.22 0.01 2 907 84 84 PRO HG2 H 1.881 0.01 2 908 84 84 PRO HG3 H 1.939 0.01 2 909 84 84 PRO HD2 H 3.598 0.01 2 910 84 84 PRO HD3 H 3.753 0.01 2 911 84 84 PRO C C 176.866 0.1 1 912 84 84 PRO CA C 62.561 0.1 1 913 84 84 PRO CB C 32.393 0.1 1 914 84 84 PRO CG C 27.335 0.1 1 915 84 84 PRO CD C 50.557 0.1 1 916 85 85 GLN H H 8.464 0.01 1 917 85 85 GLN HA H 4.161 0.01 1 918 85 85 GLN HB2 H 1.844 0.01 2 919 85 85 GLN HB3 H 1.913 0.01 2 920 85 85 GLN HG2 H 2.352 0.01 2 921 85 85 GLN HG3 H 2.262 0.01 2 922 85 85 GLN HE21 H 7.027 0.01 1 923 85 85 GLN HE22 H 7.622 0.01 1 924 85 85 GLN C C 175.078 0.1 1 925 85 85 GLN CA C 56.037 0.1 1 926 85 85 GLN CB C 29.793 0.1 1 927 85 85 GLN CG C 34.152 0.1 1 928 85 85 GLN CD C 180.274 0.1 1 929 85 85 GLN N N 120.843 0.05 1 930 85 85 GLN NE2 N 112.208 0.05 1 931 86 86 ARG H H 8.224 0.01 1 932 86 86 ARG HA H 5.143 0.01 1 933 86 86 ARG HB2 H 1.63 0.01 2 934 86 86 ARG HB3 H 1.397 0.01 2 935 86 86 ARG HG2 H 1.399 0.01 2 936 86 86 ARG HG3 H 1.558 0.01 2 937 86 86 ARG HD2 H 2.993 0.01 1 938 86 86 ARG HD3 H 2.993 0.01 1 939 86 86 ARG C C 174.958 0.1 1 940 86 86 ARG CA C 54.609 0.1 1 941 86 86 ARG CB C 33.269 0.1 1 942 86 86 ARG CG C 27.686 0.1 1 943 86 86 ARG CD C 43.581 0.1 1 944 86 86 ARG N N 120.783 0.05 1 945 87 87 HIS H H 8.636 0.01 1 946 87 87 HIS HA H 4.744 0.01 1 947 87 87 HIS HB2 H 2.743 0.01 2 948 87 87 HIS HB3 H 3.189 0.01 2 949 87 87 HIS HD2 H 6.671 0.01 1 950 87 87 HIS HE1 H 7.986 0.01 1 951 87 87 HIS C C 173.912 0.1 1 952 87 87 HIS CA C 54.324 0.1 1 953 87 87 HIS CB C 33.436 0.1 1 954 87 87 HIS CD2 C 118.306 0.1 1 955 87 87 HIS CE1 C 139.416 0.1 1 956 87 87 HIS N N 120.436 0.05 1 957 88 88 MET H H 8.661 0.01 1 958 88 88 MET HA H 5.358 0.01 1 959 88 88 MET HB2 H 1.716 0.01 2 960 88 88 MET HB3 H 2.004 0.01 2 961 88 88 MET HG2 H 2.446 0.01 2 962 88 88 MET HG3 H 2.37 0.01 2 963 88 88 MET HE H 2.049 0.01 1 964 88 88 MET C C 173.607 0.1 1 965 88 88 MET CA C 54.852 0.1 1 966 88 88 MET CB C 35.733 0.1 1 967 88 88 MET CG C 32.518 0.1 1 968 88 88 MET CE C 17.82 0.1 1 969 88 88 MET N N 125.693 0.05 1 970 89 89 PHE H H 9.036 0.01 1 971 89 89 PHE HA H 5.23 0.01 1 972 89 89 PHE HB2 H 2.651 0.01 2 973 89 89 PHE HB3 H 2.6 0.01 2 974 89 89 PHE HD1 H 6.842 0.01 3 975 89 89 PHE HD2 H 6.842 0.01 3 976 89 89 PHE HE1 H 6.656 0.01 3 977 89 89 PHE HE2 H 6.656 0.01 3 978 89 89 PHE HZ H 6.995 0.01 1 979 89 89 PHE C C 174.567 0.1 1 980 89 89 PHE CA C 56.467 0.1 1 981 89 89 PHE CB C 44.219 0.1 1 982 89 89 PHE CD1 C 130.867 0.1 3 983 89 89 PHE CD2 C 130.867 0.1 3 984 89 89 PHE CE1 C 130.02 0.1 3 985 89 89 PHE CE2 C 130.02 0.1 3 986 89 89 PHE CZ C 126.58 0.1 1 987 89 89 PHE N N 121.752 0.05 1 988 90 90 SER H H 8.709 0.01 1 989 90 90 SER HA H 5.713 0.01 1 990 90 90 SER HB2 H 3.753 0.01 2 991 90 90 SER HB3 H 3.871 0.01 2 992 90 90 SER C C 173.03 0.1 1 993 90 90 SER CA C 56.86 0.1 1 994 90 90 SER CB C 65.001 0.1 1 995 90 90 SER N N 115.831 0.05 1 996 91 91 PHE H H 8.941 0.01 1 997 91 91 PHE HA H 4.901 0.01 1 998 91 91 PHE HB2 H 2.803 0.01 2 999 91 91 PHE HB3 H 3.311 0.01 2 1000 91 91 PHE HD1 H 7.447 0.01 3 1001 91 91 PHE HD2 H 7.447 0.01 3 1002 91 91 PHE HE1 H 7.09 0.01 3 1003 91 91 PHE HE2 H 7.09 0.01 3 1004 91 91 PHE HZ H 6.779 0.01 1 1005 91 91 PHE C C 174.463 0.1 1 1006 91 91 PHE CA C 57.366 0.1 1 1007 91 91 PHE CB C 43.548 0.1 1 1008 91 91 PHE CD1 C 132.194 0.1 3 1009 91 91 PHE CD2 C 132.194 0.1 3 1010 91 91 PHE CE1 C 130.509 0.1 3 1011 91 91 PHE CE2 C 130.509 0.1 3 1012 91 91 PHE CZ C 127.048 0.1 1 1013 91 91 PHE N N 120.157 0.05 1 1014 92 92 ASN H H 9.119 0.01 1 1015 92 92 ASN HA H 5.096 0.01 1 1016 92 92 ASN HB2 H 2.904 0.01 2 1017 92 92 ASN HB3 H 2.871 0.01 2 1018 92 92 ASN HD21 H 6.809 0.01 1 1019 92 92 ASN HD22 H 7.588 0.01 1 1020 92 92 ASN C C 174.852 0.1 1 1021 92 92 ASN CA C 52.282 0.1 1 1022 92 92 ASN CB C 39.943 0.1 1 1023 92 92 ASN CG C 176.986 0.1 1 1024 92 92 ASN N N 115.707 0.05 1 1025 92 92 ASN ND2 N 110.819 0.05 1 1026 93 93 ASN H H 7.269 0.01 1 1027 93 93 ASN HA H 4.905 0.01 1 1028 93 93 ASN HB2 H 2.901 0.01 2 1029 93 93 ASN HB3 H 2.826 0.01 2 1030 93 93 ASN HD21 H 7.202 0.01 1 1031 93 93 ASN HD22 H 7.902 0.01 1 1032 93 93 ASN C C 174.535 0.1 1 1033 93 93 ASN CA C 53.045 0.1 1 1034 93 93 ASN CB C 41.728 0.1 1 1035 93 93 ASN CG C 176.433 0.1 1 1036 93 93 ASN N N 118.176 0.05 1 1037 93 93 ASN ND2 N 113.496 0.05 1 1038 94 94 ARG H H 9.298 0.01 1 1039 94 94 ARG HA H 3.839 0.01 1 1040 94 94 ARG HB2 H 1.798 0.01 2 1041 94 94 ARG HB3 H 1.997 0.01 2 1042 94 94 ARG HG2 H 1.612 0.01 2 1043 94 94 ARG HG3 H 1.763 0.01 2 1044 94 94 ARG HD2 H 3.354 0.01 2 1045 94 94 ARG HD3 H 3.091 0.01 2 1046 94 94 ARG HE H 7.415 0.01 1 1047 94 94 ARG C C 176.798 0.1 1 1048 94 94 ARG CA C 59.362 0.1 1 1049 94 94 ARG CB C 30.192 0.1 1 1050 94 94 ARG CG C 26.803 0.1 1 1051 94 94 ARG CD C 42.636 0.1 1 1052 94 94 ARG N N 128.85 0.05 1 1053 94 94 ARG NE N 82.979 0.05 1 1054 95 95 THR H H 7.979 0.01 1 1055 95 95 THR HA H 3.997 0.01 1 1056 95 95 THR HB H 4.322 0.01 1 1057 95 95 THR HG2 H 1.272 0.01 1 1058 95 95 THR C C 176.659 0.1 1 1059 95 95 THR CA C 66.379 0.1 1 1060 95 95 THR CB C 68.365 0.1 1 1061 95 95 THR CG2 C 22.068 0.1 1 1062 95 95 THR N N 115.395 0.05 1 1063 96 96 VAL H H 7.582 0.01 1 1064 96 96 VAL HA H 3.787 0.01 1 1065 96 96 VAL HB H 2.402 0.01 1 1066 96 96 VAL HG1 H 1.269 0.01 2 1067 96 96 VAL HG2 H 1.22 0.01 2 1068 96 96 VAL C C 177.56 0.1 1 1069 96 96 VAL CA C 66.005 0.1 1 1070 96 96 VAL CB C 32.191 0.1 1 1071 96 96 VAL CG1 C 21.521 0.1 2 1072 96 96 VAL CG2 C 22.306 0.1 2 1073 96 96 VAL N N 121.493 0.05 1 1074 97 97 MET H H 7.334 0.01 1 1075 97 97 MET HA H 2.358 0.01 1 1076 97 97 MET HB2 H 1.911 0.01 1 1077 97 97 MET HB3 H 1.911 0.01 1 1078 97 97 MET HG2 H 1.536 0.01 2 1079 97 97 MET HG3 H 1.129 0.01 2 1080 97 97 MET HE H 2.061 0.01 1 1081 97 97 MET C C 177.162 0.1 1 1082 97 97 MET CA C 59.732 0.1 1 1083 97 97 MET CB C 32.588 0.1 1 1084 97 97 MET CG C 32.697 0.1 1 1085 97 97 MET CE C 18.892 0.1 1 1086 97 97 MET N N 117.172 0.05 1 1087 98 98 ASP H H 8.681 0.01 1 1088 98 98 ASP HA H 4.267 0.01 1 1089 98 98 ASP HB2 H 2.71 0.01 2 1090 98 98 ASP HB3 H 2.539 0.01 2 1091 98 98 ASP C C 178.983 0.1 1 1092 98 98 ASP CA C 57.575 0.1 1 1093 98 98 ASP CB C 39.87 0.1 1 1094 98 98 ASP N N 117.853 0.05 1 1095 99 99 ASN H H 8.105 0.01 1 1096 99 99 ASN HA H 4.449 0.01 1 1097 99 99 ASN HB2 H 2.759 0.01 2 1098 99 99 ASN HB3 H 3.018 0.01 2 1099 99 99 ASN HD21 H 6.953 0.01 1 1100 99 99 ASN HD22 H 7.445 0.01 1 1101 99 99 ASN C C 178.111 0.1 1 1102 99 99 ASN CA C 56.122 0.1 1 1103 99 99 ASN CB C 38.385 0.1 1 1104 99 99 ASN CG C 176.379 0.1 1 1105 99 99 ASN N N 119.935 0.05 1 1106 99 99 ASN ND2 N 111.064 0.05 1 1107 100 100 ILE H H 8.062 0.01 1 1108 100 100 ILE HA H 3.642 0.01 1 1109 100 100 ILE HB H 1.894 0.01 1 1110 100 100 ILE HG12 H 1.312 0.01 2 1111 100 100 ILE HG13 H 1.549 0.01 2 1112 100 100 ILE HG2 H 0.702 0.01 1 1113 100 100 ILE HD1 H 0.532 0.01 1 1114 100 100 ILE C C 177.525 0.1 1 1115 100 100 ILE CA C 62.846 0.1 1 1116 100 100 ILE CB C 35.849 0.1 1 1117 100 100 ILE CG1 C 28.642 0.1 1 1118 100 100 ILE CG2 C 17.361 0.1 1 1119 100 100 ILE CD1 C 9.926 0.1 1 1120 100 100 ILE N N 120.861 0.05 1 1121 101 101 LYS H H 8.911 0.01 1 1122 101 101 LYS HA H 3.646 0.01 1 1123 101 101 LYS HB2 H 2.044 0.01 2 1124 101 101 LYS HB3 H 1.841 0.01 2 1125 101 101 LYS HG2 H 1.36 0.01 2 1126 101 101 LYS HG3 H 1.31 0.01 2 1127 101 101 LYS HD2 H 1.506 0.01 2 1128 101 101 LYS HD3 H 1.645 0.01 2 1129 101 101 LYS HE2 H 2.858 0.01 1 1130 101 101 LYS C C 177.58 0.1 1 1131 101 101 LYS CA C 60.484 0.1 1 1132 101 101 LYS CB C 32.756 0.1 1 1133 101 101 LYS CG C 24.294 0.1 1 1134 101 101 LYS CD C 29.62 0.1 1 1135 101 101 LYS CE C 41.582 0.1 1 1136 101 101 LYS N N 120.442 0.05 1 1137 102 102 MET H H 8.046 0.01 1 1138 102 102 MET HA H 4.174 0.01 1 1139 102 102 MET HB2 H 2.244 0.01 2 1140 102 102 MET HB3 H 2.158 0.01 2 1141 102 102 MET HG2 H 2.69 0.01 2 1142 102 102 MET HG3 H 2.625 0.01 2 1143 102 102 MET HE H 2.088 0.01 1 1144 102 102 MET C C 178.993 0.1 1 1145 102 102 MET CA C 58.69 0.1 1 1146 102 102 MET CB C 32.236 0.1 1 1147 102 102 MET CG C 32.039 0.1 1 1148 102 102 MET CE C 16.932 0.1 1 1149 102 102 MET N N 116.646 0.05 1 1150 103 103 THR H H 7.698 0.01 1 1151 103 103 THR HA H 3.855 0.01 1 1152 103 103 THR HB H 3.985 0.01 1 1153 103 103 THR HG2 H 0.775 0.01 1 1154 103 103 THR C C 176.501 0.1 1 1155 103 103 THR CA C 66.152 0.1 1 1156 103 103 THR CB C 68.023 0.1 1 1157 103 103 THR CG2 C 22.314 0.1 1 1158 103 103 THR N N 117.716 0.05 1 1159 104 104 LEU H H 8.554 0.01 1 1160 104 104 LEU HA H 3.87 0.01 1 1161 104 104 LEU HB2 H 2.091 0.01 2 1162 104 104 LEU HB3 H 1.115 0.01 2 1163 104 104 LEU HG H 1.889 0.01 1 1164 104 104 LEU HD1 H 0.799 0.01 2 1165 104 104 LEU HD2 H 0.718 0.01 2 1166 104 104 LEU C C 178.402 0.1 1 1167 104 104 LEU CA C 58.101 0.1 1 1168 104 104 LEU CB C 42.923 0.1 1 1169 104 104 LEU CG C 26.622 0.1 1 1170 104 104 LEU CD1 C 24.95 0.1 2 1171 104 104 LEU CD2 C 27.033 0.1 2 1172 104 104 LEU N N 119.052 0.05 1 1173 105 105 GLN H H 8.756 0.01 1 1174 105 105 GLN HA H 3.924 0.01 1 1175 105 105 GLN HB2 H 2.289 0.01 2 1176 105 105 GLN HB3 H 2.115 0.01 2 1177 105 105 GLN HG2 H 2.403 0.01 2 1178 105 105 GLN HG3 H 2.485 0.01 2 1179 105 105 GLN HE21 H 6.855 0.01 1 1180 105 105 GLN HE22 H 7.402 0.01 1 1181 105 105 GLN C C 178.821 0.1 1 1182 105 105 GLN CA C 59.307 0.1 1 1183 105 105 GLN CB C 28.59 0.1 1 1184 105 105 GLN CG C 34.368 0.1 1 1185 105 105 GLN CD C 179.787 0.1 1 1186 105 105 GLN N N 117.71 0.05 1 1187 105 105 GLN NE2 N 111.081 0.05 1 1188 106 106 GLN H H 7.605 0.01 1 1189 106 106 GLN HA H 4.062 0.01 1 1190 106 106 GLN HB2 H 2.185 0.01 2 1191 106 106 GLN HB3 H 2.321 0.01 2 1192 106 106 GLN HG2 H 2.408 0.01 2 1193 106 106 GLN HG3 H 2.583 0.01 2 1194 106 106 GLN HE21 H 6.845 0.01 1 1195 106 106 GLN HE22 H 7.363 0.01 1 1196 106 106 GLN C C 178.647 0.1 1 1197 106 106 GLN CA C 58.801 0.1 1 1198 106 106 GLN CB C 28.503 0.1 1 1199 106 106 GLN CG C 34.04 0.1 1 1200 106 106 GLN CD C 180.167 0.1 1 1201 106 106 GLN N N 117.934 0.05 1 1202 106 106 GLN NE2 N 110.658 0.05 1 1203 107 107 ILE H H 7.805 0.01 1 1204 107 107 ILE HA H 3.463 0.01 1 1205 107 107 ILE HB H 1.702 0.01 1 1206 107 107 ILE HG12 H 1.928 0.01 2 1207 107 107 ILE HG13 H 0.891 0.01 2 1208 107 107 ILE HG2 H 0.838 0.01 1 1209 107 107 ILE HD1 H 0.637 0.01 1 1210 107 107 ILE C C 177.613 0.1 1 1211 107 107 ILE CA C 65.628 0.1 1 1212 107 107 ILE CB C 39.166 0.1 1 1213 107 107 ILE CG1 C 29.003 0.1 1 1214 107 107 ILE CG2 C 19.161 0.1 1 1215 107 107 ILE CD1 C 15.887 0.1 1 1216 107 107 ILE N N 120.066 0.05 1 1217 108 108 ILE H H 8.734 0.01 1 1218 108 108 ILE HA H 3.806 0.01 1 1219 108 108 ILE HB H 1.879 0.01 1 1220 108 108 ILE HG12 H 1.248 0.01 2 1221 108 108 ILE HG13 H 1.682 0.01 2 1222 108 108 ILE HG2 H 0.924 0.01 1 1223 108 108 ILE HD1 H 0.742 0.01 1 1224 108 108 ILE C C 179.211 0.1 1 1225 108 108 ILE CA C 65.697 0.1 1 1226 108 108 ILE CB C 38.451 0.1 1 1227 108 108 ILE CG1 C 29.285 0.1 1 1228 108 108 ILE CG2 C 17.257 0.1 1 1229 108 108 ILE CD1 C 15.474 0.1 1 1230 108 108 ILE N N 117.213 0.05 1 1231 109 109 SER H H 7.875 0.01 1 1232 109 109 SER HA H 4.218 0.01 1 1233 109 109 SER HB2 H 4.012 0.01 2 1234 109 109 SER HB3 H 4.014 0.01 2 1235 109 109 SER C C 176.067 0.1 1 1236 109 109 SER CA C 61.815 0.1 1 1237 109 109 SER CB C 62.91 0.1 1 1238 109 109 SER N N 114.051 0.05 1 1239 110 110 ARG H H 7.567 0.01 1 1240 110 110 ARG HA H 4.113 0.01 1 1241 110 110 ARG HB2 H 1.656 0.01 2 1242 110 110 ARG HB3 H 1.676 0.01 2 1243 110 110 ARG HG2 H 1.668 0.01 2 1244 110 110 ARG HG3 H 1.502 0.01 2 1245 110 110 ARG HD2 H 3.142 0.01 2 1246 110 110 ARG HD3 H 2.994 0.01 2 1247 110 110 ARG C C 178.583 0.1 1 1248 110 110 ARG CA C 58.516 0.1 1 1249 110 110 ARG CB C 29.892 0.1 1 1250 110 110 ARG CG C 27.169 0.1 1 1251 110 110 ARG CD C 43.98 0.1 1 1252 110 110 ARG N N 120.927 0.05 1 1253 111 111 TYR H H 7.463 0.01 1 1254 111 111 TYR HA H 4.774 0.01 1 1255 111 111 TYR HB2 H 3.064 0.01 2 1256 111 111 TYR HB3 H 3.389 0.01 2 1257 111 111 TYR HD1 H 7.099 0.01 3 1258 111 111 TYR HD2 H 7.099 0.01 3 1259 111 111 TYR HE1 H 6.72 0.01 3 1260 111 111 TYR HE2 H 6.72 0.01 3 1261 111 111 TYR C C 176.203 0.1 1 1262 111 111 TYR CA C 57.78 0.1 1 1263 111 111 TYR CB C 37.586 0.1 1 1264 111 111 TYR CD1 C 132.194 0.1 3 1265 111 111 TYR CD2 C 132.194 0.1 3 1266 111 111 TYR CE1 C 117.806 0.1 3 1267 111 111 TYR CE2 C 117.806 0.1 3 1268 111 111 TYR N N 116.87 0.05 1 1269 112 112 LYS H H 7.794 0.01 1 1270 112 112 LYS HA H 4.367 0.01 1 1271 112 112 LYS HB2 H 1.923 0.01 2 1272 112 112 LYS HB3 H 1.95 0.01 2 1273 112 112 LYS HG2 H 1.664 0.01 2 1274 112 112 LYS HG3 H 1.579 0.01 2 1275 112 112 LYS HD2 H 1.79 0.01 2 1276 112 112 LYS HD3 H 1.807 0.01 2 1277 112 112 LYS HE2 H 3.094 0.01 2 1278 112 112 LYS HE3 H 3.097 0.01 2 1279 112 112 LYS C C 177.377 0.1 1 1280 112 112 LYS CA C 57.409 0.1 1 1281 112 112 LYS CB C 32.894 0.1 1 1282 112 112 LYS CG C 24.806 0.1 1 1283 112 112 LYS CD C 29.011 0.1 1 1284 112 112 LYS CE C 41.968 0.1 1 1285 112 112 LYS N N 120.787 0.05 1 1286 113 113 ASP H H 8.294 0.01 1 1287 113 113 ASP HA H 4.633 0.01 1 1288 113 113 ASP HB2 H 2.705 0.01 2 1289 113 113 ASP HB3 H 2.772 0.01 2 1290 113 113 ASP C C 176.685 0.1 1 1291 113 113 ASP CA C 54.872 0.1 1 1292 113 113 ASP CB C 41.122 0.1 1 1293 113 113 ASP N N 120.411 0.05 1 1294 114 114 ALA H H 8.034 0.01 1 1295 114 114 ALA HA H 4.344 0.01 1 1296 114 114 ALA HB H 1.484 0.01 1 1297 114 114 ALA C C 178.001 0.1 1 1298 114 114 ALA CA C 52.987 0.1 1 1299 114 114 ALA CB C 19.28 0.1 1 1300 114 114 ALA N N 123.297 0.05 1 1301 115 115 ASP H H 8.223 0.01 1 1302 115 115 ASP HA H 4.636 0.01 1 1303 115 115 ASP HB2 H 2.756 0.01 1 1304 115 115 ASP HB3 H 2.756 0.01 1 1305 115 115 ASP CA C 54.61 0.1 1 1306 115 115 ASP CB C 41.34 0.1 1 1307 115 115 ASP N N 118.953 0.05 1 stop_ save_