data_4829 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments for the DNA-binding domain of interleukin enhancer binding factor ; _BMRB_accession_number 4829 _BMRB_flat_file_name bmr4829.str _Entry_type original _Submission_date 2000-09-14 _Accession_date 2000-09-14 _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 Liu Pei-Phen . . 2 Chen Y.C. . . 3 Li Chin . . 4 Hsieh Yu-Huei . . 5 Chen Shu-Wan . . 6 Chen Shu-Huei . . 7 Jeng W.Y. . . 8 Chuang Woei-Jer . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 540 "13C chemical shifts" 298 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-11-14 update author 'Update the citation' 2001-11-14 original author 'Original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the DNA-binding domain of interleukin enhancer binding factor 1 (FOXK1a) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12402362 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Pei-Phen . . 2 Chen Y.C. . . 3 Li Chin . . 4 Hsieh Yu-Huei . . 5 Chen Shu-Wan . . 6 Chen Shu-Huei . . 7 Jeng W.Y. . . 8 Chuang Woei-Jer . . stop_ _Journal_abbreviation 'Proteins: Struct., Funct., Genet.' _Journal_volume 49 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 543 _Page_last 553 _Year 2002 _Details . loop_ _Keyword 'DNA-binding domain' 'interleukin enhancer binding factor' 'resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_system_ILF _Saveframe_category molecular_system _Mol_system_name 'Interleukin enhancer binding factor' _Abbreviation_common ILF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ILF $ILF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'DNA-binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ILF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Interleukin enhancer binding factor' _Abbreviation_common ILF _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; DSKPPYSYAQLIVQAITMAP DKQLTLNGIYTHITKNYPYY RTADKGWQNSIRHNLSLNRY FIKVPRSQEEPGKGSFWRID PASESKLIEQAFRKRRPR ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 SER 3 LYS 4 PRO 5 PRO 6 TYR 7 SER 8 TYR 9 ALA 10 GLN 11 LEU 12 ILE 13 VAL 14 GLN 15 ALA 16 ILE 17 THR 18 MET 19 ALA 20 PRO 21 ASP 22 LYS 23 GLN 24 LEU 25 THR 26 LEU 27 ASN 28 GLY 29 ILE 30 TYR 31 THR 32 HIS 33 ILE 34 THR 35 LYS 36 ASN 37 TYR 38 PRO 39 TYR 40 TYR 41 ARG 42 THR 43 ALA 44 ASP 45 LYS 46 GLY 47 TRP 48 GLN 49 ASN 50 SER 51 ILE 52 ARG 53 HIS 54 ASN 55 LEU 56 SER 57 LEU 58 ASN 59 ARG 60 TYR 61 PHE 62 ILE 63 LYS 64 VAL 65 PRO 66 ARG 67 SER 68 GLN 69 GLU 70 GLU 71 PRO 72 GLY 73 LYS 74 GLY 75 SER 76 PHE 77 TRP 78 ARG 79 ILE 80 ASP 81 PRO 82 ALA 83 SER 84 GLU 85 SER 86 LYS 87 LEU 88 ILE 89 GLU 90 GLN 91 ALA 92 PHE 93 ARG 94 LYS 95 ARG 96 ARG 97 PRO 98 ARG 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 1JXS "Solution Structure Of The Dna-Binding Domain Of Interleukin Enhancer Binding Factor" 100.00 98 100.00 100.00 2.22e-65 PDB 2C6Y "Crystal Structure Of Interleukin Enhancer-Binding Factor 1 Bound To Dna" 100.00 111 100.00 100.00 1.05e-65 DBJ BAE29561 "unnamed protein product [Mus musculus]" 100.00 513 98.98 100.00 3.66e-63 EMBL CAA43200 "transcription factor ILF [Homo sapiens]" 100.00 543 100.00 100.00 1.43e-63 EMBL CAG00839 "unnamed protein product [Tetraodon nigroviridis]" 100.00 512 97.96 98.98 8.64e-62 GB AAB02820 "interleukin enhancer binding factor 1 [Homo sapiens]" 100.00 655 100.00 100.00 1.55e-62 GB AAB02821 "interleukin enhancer binding factor 2 [Homo sapiens]" 100.00 609 100.00 100.00 1.49e-62 GB AAH46369 "Foxk2 protein [Xenopus laevis]" 100.00 642 98.98 100.00 3.81e-62 GB AAI12950 "Foxk2 protein [Xenopus laevis]" 100.00 386 97.96 98.98 3.93e-62 GB AAI52768 "Forkhead box K2, partial [synthetic construct]" 100.00 809 98.98 100.00 9.55e-62 PIR B42827 "interleukin enhancer-binding factor ILF-2 - human" 100.00 497 97.96 97.96 5.44e-61 REF NP_001074401 "forkhead box protein K2 [Mus musculus]" 100.00 651 98.98 100.00 2.01e-62 REF NP_001100545 "forkhead box protein K2 [Rattus norvegicus]" 100.00 400 98.98 100.00 1.51e-64 REF NP_001135634 "forkhead box K2 [Xenopus (Silurana) tropicalis]" 100.00 645 98.98 100.00 2.44e-62 REF NP_004505 "forkhead box protein K2 [Homo sapiens]" 100.00 660 100.00 100.00 1.36e-62 REF XP_001114082 "PREDICTED: forkhead box protein K2-like, partial [Macaca mulatta]" 100.00 617 100.00 100.00 1.16e-62 SP Q01167 "RecName: Full=Forkhead box protein K2; AltName: Full=Cellular transcription factor ILF-1; AltName: Full=FOXK1; AltName: Full=In" 100.00 660 100.00 100.00 1.36e-62 SP Q3UCQ1 "RecName: Full=Forkhead box protein K2; AltName: Full=Cellular transcription factor ILF-1; AltName: Full=Interleukin enhancer-bi" 100.00 651 98.98 100.00 2.01e-62 SP Q7ZX03 "RecName: Full=Forkhead box protein K2; Short=FoxK2; AltName: Full=Interleukin enhancer-binding factor 1; Short=ILF1; Short=xFox" 100.00 642 98.98 100.00 3.93e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ILF 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 _Details $ILF 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 'Plasmid pPET-21a' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ILF 2.5 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ILF 2.5 mM [U-15N] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ILF 2.5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _Sample_label . save_ save_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_1H-15N-TOCSY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-TOCSY-HSQC _Sample_label . save_ save_1H-15N-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-NOESY-HSQC _Sample_label . save_ save_2D_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _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 HBHANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Cond_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 n/a temperature 300 0.1 K 'ionic strength' 0.25 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Cond_set_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ILF _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 ASP H H 8.436 0.01 1 2 . 1 ASP HA H 4.492 0.02 1 3 . 1 ASP HB2 H 2.736 0.01 2 4 . 1 ASP CA C 51.965 0.1 1 5 . 1 ASP CB C 38.559 0.1 1 6 . 1 ASP N N 121.101 0.1 1 7 . 2 SER H H 8.07 0.01 1 8 . 2 SER HA H 4.443 0.02 1 9 . 2 SER HB2 H 3.824 0.01 1 10 . 2 SER HB3 H 3.824 0.01 1 11 . 2 SER CA C 55.256 0.1 1 12 . 2 SER CB C 61.801 0.1 1 13 . 2 SER N N 114.742 0.1 1 14 . 3 LYS H H 8.086 0.01 1 15 . 3 LYS HA H 2.822 0.01 1 16 . 3 LYS HB2 H 0.892 0.01 2 17 . 3 LYS HB3 H 1.286 0.01 2 18 . 3 LYS HG2 H 0.708 0.01 1 19 . 3 LYS HG3 H 0.708 0.01 1 20 . 3 LYS HD2 H 1.497 0.01 1 21 . 3 LYS HD3 H 1.497 0.01 1 22 . 3 LYS HE2 H 2.926 0.01 1 23 . 3 LYS HE3 H 2.926 0.01 1 24 . 3 LYS CA C 52.055 0.1 1 25 . 3 LYS CB C 30.249 0.1 1 26 . 3 LYS CG C 21.535 0.1 1 27 . 3 LYS CD C 27.102 0.1 1 28 . 3 LYS CE C 39.689 0.1 1 29 . 3 LYS N N 125.607 0.1 1 30 . 5 PRO HA H 4.467 0.01 1 31 . 5 PRO HB2 H 2.493 0.02 2 32 . 5 PRO HB3 H 1.693 0.02 2 33 . 5 PRO HG2 H 1.801 0.02 1 34 . 5 PRO HG3 H 1.801 0.02 1 35 . 5 PRO HD2 H 3.604 0.01 2 36 . 5 PRO CA C 60.559 0.1 1 37 . 5 PRO CB C 26.167 0.1 1 38 . 6 TYR H H 7.084 0.01 1 39 . 6 TYR HA H 5.043 0.01 1 40 . 6 TYR HB2 H 3.041 0.01 2 41 . 6 TYR HB3 H 2.022 0.01 2 42 . 6 TYR HD1 H 6.798 0.01 1 43 . 6 TYR HD2 H 6.798 0.01 1 44 . 6 TYR CA C 53.31 0.1 1 45 . 6 TYR CB C 39.844 0.1 1 46 . 6 TYR CD1 C 130.967 0.1 1 47 . 6 TYR CD2 C 130.967 0.1 1 48 . 6 TYR N N 116.121 0.1 1 49 . 7 SER H H 9.691 0.01 1 50 . 7 SER HA H 4.43 0.01 1 51 . 7 SER HB2 H 4.038 0.01 2 52 . 7 SER HB3 H 3.879 0.02 2 53 . 7 SER CA C 54.149 0.1 1 54 . 7 SER CB C 63.054 0.1 1 55 . 7 SER N N 119.742 0.1 1 56 . 8 TYR H H 8.302 0.01 1 57 . 8 TYR HA H 4.313 0.02 1 58 . 8 TYR HB2 H 2.894 0.02 1 59 . 8 TYR HD1 H 7.211 0.01 1 60 . 8 TYR HD2 H 7.211 0.01 1 61 . 8 TYR CA C 59.969 0.1 1 62 . 8 TYR CB C 34.657 0.1 1 63 . 8 TYR CD1 C 129.833 0.1 1 64 . 8 TYR CD2 C 129.833 0.1 1 65 . 8 TYR N N 117.512 0.1 1 66 . 9 ALA H H 8.559 0.01 1 67 . 9 ALA HA H 4.199 0.01 1 68 . 9 ALA HB H 1.648 0.01 1 69 . 9 ALA CA C 53.892 0.1 1 70 . 9 ALA CB C 14.869 0.1 1 71 . 9 ALA N N 118.393 0.1 1 72 . 10 GLN H H 7.747 0.01 1 73 . 10 GLN HA H 3.876 0.01 1 74 . 10 GLN HB2 H 2.567 0.01 2 75 . 10 GLN HB3 H 2.057 0.02 2 76 . 10 GLN HG2 H 2.509 0.01 2 77 . 10 GLN HG3 H 2.248 0.01 2 78 . 10 GLN HE21 H 6.834 0.01 2 79 . 10 GLN HE22 H 7.537 0.01 2 80 . 10 GLN CA C 57.455 0.1 1 81 . 10 GLN CB C 27.086 0.1 1 82 . 10 GLN N N 115.278 0.1 1 83 . 10 GLN NE2 N 110.595 0.1 1 84 . 11 LEU H H 8.134 0.01 1 85 . 11 LEU HA H 3.595 0.01 1 86 . 11 LEU HB2 H 2.177 0.01 2 87 . 11 LEU HB3 H 1.228 0.02 2 88 . 11 LEU HG H 1.682 0.02 1 89 . 11 LEU HD1 H 0.639 0.01 1 90 . 11 LEU HD2 H 0.442 0.01 1 91 . 11 LEU CA C 55.693 0.1 1 92 . 11 LEU CB C 39.114 0.1 1 93 . 11 LEU CD1 C 23.351 0.1 1 94 . 11 LEU CD2 C 21.233 0.1 1 95 . 11 LEU N N 117.335 0.1 1 96 . 12 ILE H H 7.972 0.01 1 97 . 12 ILE HA H 3.344 0.01 1 98 . 12 ILE HB H 1.835 0.01 1 99 . 12 ILE HG12 H 1.27 0.01 2 100 . 12 ILE HG13 H 0.558 0.01 2 101 . 12 ILE HG2 H 0.147 0.01 1 102 . 12 ILE HD1 H -0.535 0.01 1 103 . 12 ILE CA C 63.775 0.1 1 104 . 12 ILE CB C 34.446 0.1 1 105 . 12 ILE CG1 C 27.334 0.1 1 106 . 12 ILE CG2 C 17.338 0.1 1 107 . 12 ILE CD1 C 19.68 0.1 1 108 . 12 ILE N N 117.975 0.1 1 109 . 13 VAL H H 8.171 0.01 1 110 . 13 VAL HA H 3.52 0.01 1 111 . 13 VAL HB H 2.21 0.01 1 112 . 13 VAL HG1 H 0.79 0.01 2 113 . 13 VAL HG2 H 1.333 0.01 2 114 . 13 VAL CA C 65.101 0.1 1 115 . 13 VAL CB C 29.704 0.1 1 116 . 13 VAL CG1 C 20.083 0.1 1 117 . 13 VAL CG2 C 21.437 0.1 1 118 . 13 VAL N N 118.185 0.1 1 119 . 14 GLN H H 8.457 0.01 1 120 . 14 GLN HA H 3.467 0.01 1 121 . 14 GLN HB2 H 1.988 0.01 2 122 . 14 GLN HB3 H 2.239 0.02 2 123 . 14 GLN HE21 H 3.727 0.01 2 124 . 14 GLN HE22 H 6.928 0.01 2 125 . 14 GLN CA C 56.819 0.1 1 126 . 14 GLN CB C 24.812 0.1 1 127 . 14 GLN N N 118.326 0.1 1 128 . 14 GLN NE2 N 105.311 0.1 1 129 . 15 ALA H H 7.369 0.01 1 130 . 15 ALA HA H 2.244 0.01 1 131 . 15 ALA HB H 1.261 0.01 1 132 . 15 ALA CA C 52.217 0.1 1 133 . 15 ALA CB C 16.82 0.1 1 134 . 15 ALA N N 116.568 0.1 1 135 . 16 ILE H H 8.363 0.01 1 136 . 16 ILE HA H 3.3 0.01 1 137 . 16 ILE HB H 1.545 0.01 1 138 . 16 ILE HG12 H 0.724 0.01 1 139 . 16 ILE HG2 H 0.896 0.01 1 140 . 16 ILE CA C 64.107 0.1 1 141 . 16 ILE CG1 C 24.379 0.1 1 142 . 16 ILE CG2 C 16.271 0.1 1 143 . 16 ILE N N 115.643 0.1 1 144 . 17 THR H H 8.203 0.01 1 145 . 17 THR HA H 4.029 0.01 1 146 . 17 THR HB H 4.254 0.01 1 147 . 17 THR HG2 H 1.344 0.01 1 148 . 17 THR CA C 63.344 0.1 1 149 . 17 THR CB C 66.799 0.1 1 150 . 17 THR CG2 C 19.175 0.1 1 151 . 17 THR N N 108.084 0.1 1 152 . 18 MET H H 7.294 0.01 1 153 . 18 MET HA H 4.551 0.01 1 154 . 18 MET HB2 H 2.793 0.01 2 155 . 18 MET HB3 H 3.048 0.01 2 156 . 18 MET HG2 H 2.042 0.01 2 157 . 18 MET HG3 H 2.397 0.01 2 158 . 18 MET HE H 1.84 0.01 1 159 . 18 MET CA C 53.147 0.1 1 160 . 18 MET CB C 29.97 0.1 1 161 . 18 MET CG C 30.806 0.1 1 162 . 18 MET N N 116.762 0.1 1 163 . 19 ALA H H 7.494 0.01 1 164 . 19 ALA HA H 4.733 0.01 1 165 . 19 ALA HB H 1.616 0.01 1 166 . 19 ALA CA C 48.158 0.1 1 167 . 19 ALA CB C 16.029 0.1 1 168 . 19 ALA N N 125.679 0.1 1 169 . 20 PRO HA H 4.365 0.01 1 170 . 20 PRO HB2 H 2.452 0.01 2 171 . 20 PRO HB3 H 2.008 0.01 2 172 . 20 PRO HG2 H 2.221 0.01 1 173 . 20 PRO HG3 H 2.221 0.01 1 174 . 21 ASP H H 8.604 0.01 1 175 . 21 ASP HA H 4.663 0.01 1 176 . 21 ASP HB2 H 2.762 0.01 1 177 . 21 ASP CA C 51.656 0.1 1 178 . 21 ASP CB C 37.813 0.1 1 179 . 21 ASP N N 113.902 0.1 1 180 . 22 LYS H H 8.286 0.01 1 181 . 22 LYS HA H 4.364 0.01 1 182 . 22 LYS HB2 H 2.061 0.01 2 183 . 22 LYS HB3 H 1.887 0.01 2 184 . 22 LYS HG2 H 1.504 0.01 1 185 . 22 LYS HG3 H 1.504 0.01 1 186 . 22 LYS HD2 H 1.462 0.01 1 187 . 22 LYS HD3 H 1.462 0.01 1 188 . 22 LYS HE2 H 3.069 0.01 1 189 . 22 LYS HE3 H 3.069 0.01 1 190 . 22 LYS CA C 54.292 0.1 1 191 . 22 LYS CB C 26.583 0.1 1 192 . 22 LYS CG C 22.685 0.1 1 193 . 22 LYS CD C 24.984 0.1 1 194 . 22 LYS N N 113.03 0.1 1 195 . 23 GLN H H 6.961 0.01 1 196 . 23 GLN HA H 5.488 0.01 1 197 . 23 GLN HB2 H 2.229 0.02 2 198 . 23 GLN HB3 H 1.593 0.01 2 199 . 23 GLN HG2 H 1.577 0.01 2 200 . 23 GLN HG3 H 1.615 0.01 2 201 . 23 GLN HE21 H 6.137 0.01 2 202 . 23 GLN HE22 H 6.55 0.01 2 203 . 23 GLN CA C 51.338 0.1 1 204 . 23 GLN CB C 28.918 0.1 1 205 . 23 GLN CG C 28.494 0.1 1 206 . 23 GLN N N 107.82 0.1 1 207 . 23 GLN NE2 N 108.775 0.1 1 208 . 24 LEU H H 8.744 0.01 1 209 . 24 LEU HA H 5.142 0.01 1 210 . 24 LEU HB2 H 1.955 0.01 2 211 . 24 LEU HB3 H 1.508 0.01 2 212 . 24 LEU HG H 1.13 0.01 1 213 . 24 LEU HD1 H 0.738 0.01 1 214 . 24 LEU CA C 51.693 0.1 1 215 . 24 LEU CB C 48.463 0.1 1 216 . 24 LEU CG C 22.624 0.1 1 217 . 24 LEU CD1 C 24.379 0.1 1 218 . 24 LEU N N 119.516 0.1 1 219 . 25 THR H H 8.28 0.01 1 220 . 25 THR HA H 5.019 0.01 1 221 . 25 THR HB H 4.628 0.01 1 222 . 25 THR HG2 H 0.757 0.01 1 223 . 25 THR CA C 57.819 0.1 1 224 . 25 THR CB C 68.9 0.1 1 225 . 25 THR CG2 C 19.095 0.1 1 226 . 25 THR N N 110.734 0.1 1 227 . 26 LEU H H 9.338 0.01 1 228 . 26 LEU HA H 3.674 0.01 1 229 . 26 LEU HB2 H 1.573 0.02 2 230 . 26 LEU HB3 H 1.451 0.02 2 231 . 26 LEU HG H 0.776 0.01 1 232 . 26 LEU HD1 H 0.482 0.01 1 233 . 26 LEU CA C 56.21 0.1 1 234 . 26 LEU CB C 38.675 0.1 1 235 . 26 LEU CG C 22.927 0.1 1 236 . 26 LEU CD1 C 21.293 0.1 1 237 . 26 LEU N N 121.136 0.1 1 238 . 27 ASN H H 8.253 0.01 1 239 . 27 ASN HA H 4.377 0.01 1 240 . 27 ASN HB2 H 2.743 0.01 1 241 . 27 ASN HD21 H 7.053 0.01 2 242 . 27 ASN HD22 H 7.709 0.01 2 243 . 27 ASN CA C 54.214 0.1 1 244 . 27 ASN CB C 35.709 0.1 1 245 . 27 ASN N N 113.012 0.1 1 246 . 27 ASN ND2 N 111.921 0.1 1 247 . 28 GLY H H 8.241 0.01 1 248 . 28 GLY HA2 H 4.003 0.02 1 249 . 28 GLY HA3 H 4.003 0.02 1 250 . 28 GLY CA C 44.942 0.1 1 251 . 28 GLY N N 109.849 0.1 1 252 . 29 ILE H H 8.332 0.01 1 253 . 29 ILE HA H 3.597 0.01 1 254 . 29 ILE HB H 1.971 0.02 1 255 . 29 ILE HG12 H 1.672 0.01 2 256 . 29 ILE HG13 H 1.472 0.01 2 257 . 29 ILE HG2 H 0.774 0.01 1 258 . 29 ILE HD1 H 0.496 0.01 1 259 . 29 ILE CA C 64.156 0.1 1 260 . 29 ILE CB C 35.756 0.1 1 261 . 29 ILE CG2 C 16.21 0.1 1 262 . 29 ILE CD1 C 11.853 0.1 1 263 . 29 ILE N N 125.814 0.1 1 264 . 30 TYR H H 8.322 0.01 1 265 . 30 TYR HA H 4.791 0.01 1 266 . 30 TYR HB2 H 3.448 0.02 2 267 . 30 TYR HD1 H 6.9 0.01 1 268 . 30 TYR HD2 H 6.9 0.01 1 269 . 30 TYR HE1 H 7.4 0.01 1 270 . 30 TYR HE2 H 7.4 0.01 1 271 . 30 TYR CA C 56.321 0.1 1 272 . 30 TYR CB C 34.057 0.1 1 273 . 30 TYR CD1 C 128.377 0.1 1 274 . 30 TYR CD2 C 128.377 0.1 1 275 . 30 TYR CE1 C 121.66 0.1 1 276 . 30 TYR CE2 C 121.66 0.1 1 277 . 30 TYR N N 117.292 0.1 1 278 . 31 THR H H 8.672 0.01 1 279 . 31 THR HA H 4.104 0.01 1 280 . 31 THR HB H 4.377 0.01 1 281 . 31 THR HG2 H 1.381 0.01 1 282 . 31 THR CA C 64.341 0.1 1 283 . 31 THR CB C 66.677 0.1 1 284 . 31 THR CG2 C 19.175 0.1 1 285 . 31 THR N N 113.713 0.1 1 286 . 32 HIS H H 8.113 0.01 1 287 . 32 HIS HA H 4.142 0.01 1 288 . 32 HIS HB2 H 3.41 0.01 1 289 . 32 HIS HB3 H 3.206 0.01 1 290 . 32 HIS HD1 H 6.946 0.01 1 291 . 32 HIS HE1 H 8.12 0.01 1 292 . 32 HIS CA C 59.068 0.1 1 293 . 32 HIS CB C 28.884 0.1 1 294 . 32 HIS CD2 C 115.851 0.1 1 295 . 32 HIS CE1 C 136.002 0.1 1 296 . 32 HIS N N 120.616 0.1 1 297 . 33 ILE H H 8.436 0.01 1 298 . 33 ILE HA H 3.866 0.01 1 299 . 33 ILE HB H 2.254 0.01 1 300 . 33 ILE HG12 H 1.195 0.01 1 301 . 33 ILE HG2 H 0.946 0.01 1 302 . 33 ILE HD1 H 0.484 0.01 1 303 . 33 ILE CA C 64.85 0.1 1 304 . 33 ILE CB C 35.635 0.1 1 305 . 33 ILE CG1 C 27.707 0.1 1 306 . 33 ILE CG2 C 14.395 0.1 1 307 . 33 ILE CD1 C 15.726 0.1 1 308 . 33 ILE N N 119.054 0.1 1 309 . 34 THR H H 8.72 0.01 1 310 . 34 THR HA H 4.077 0.01 1 311 . 34 THR HB H 4.295 0.01 1 312 . 34 THR HG2 H 1.505 0.01 1 313 . 34 THR CA C 63.488 0.1 1 314 . 34 THR CB C 66.617 0.1 1 315 . 34 THR CG2 C 20.507 0.1 1 316 . 34 THR N N 110.592 0.1 1 317 . 35 LYS H H 8.217 0.01 1 318 . 35 LYS HA H 4.044 0.01 1 319 . 35 LYS HB2 H 1.974 0.01 2 320 . 35 LYS HB3 H 1.76 0.01 2 321 . 35 LYS HG2 H 1.521 0.01 2 322 . 35 LYS HG3 H 1.455 0.01 2 323 . 35 LYS HD2 H 1.285 0.01 1 324 . 35 LYS HD3 H 1.285 0.01 1 325 . 35 LYS HE2 H 3.067 0.01 1 326 . 35 LYS HE3 H 3.067 0.01 1 327 . 35 LYS CA C 56.963 0.1 1 328 . 35 LYS CB C 30.153 0.1 1 329 . 35 LYS CG C 22.624 0.1 1 330 . 35 LYS CE C 40.294 0.1 1 331 . 35 LYS N N 120.08 0.1 1 332 . 36 ASN H H 7.46 0.01 1 333 . 36 ASN HA H 4.287 0.01 1 334 . 36 ASN HB2 H 2.178 0.01 2 335 . 36 ASN HB3 H 1.81 0.01 2 336 . 36 ASN HD21 H 6.699 0.01 2 337 . 36 ASN HD22 H 6.793 0.01 2 338 . 36 ASN CA C 53.327 0.1 1 339 . 36 ASN CB C 38.255 0.1 1 340 . 36 ASN N N 113.224 0.1 1 341 . 36 ASN ND2 N 112.716 0.1 1 342 . 37 TYR H H 8.522 0.01 1 343 . 37 TYR HA H 5.184 0.01 1 344 . 37 TYR HB2 H 3.554 0.01 2 345 . 37 TYR HB3 H 3.052 0.01 2 346 . 37 TYR HD1 H 6.331 0.01 1 347 . 37 TYR HD2 H 6.331 0.01 1 348 . 37 TYR HE1 H 6.673 0.01 1 349 . 37 TYR HE2 H 6.673 0.01 1 350 . 37 TYR CA C 53.195 0.1 1 351 . 37 TYR CB C 36.482 0.1 1 352 . 37 TYR CD1 C 130.374 0.1 1 353 . 37 TYR CD2 C 130.374 0.1 1 354 . 37 TYR CE1 C 114.58 0.1 1 355 . 37 TYR CE2 C 114.58 0.1 1 356 . 37 TYR N N 117.11 0.1 1 357 . 39 TYR H H 8.601 0.01 1 358 . 39 TYR HA H 3.917 0.02 1 359 . 39 TYR HB2 H 3.125 0.02 1 360 . 39 TYR HD1 H 5.901 0.01 1 361 . 39 TYR HD2 H 5.901 0.01 1 362 . 39 TYR HE1 H 6.513 0.01 1 363 . 39 TYR HE2 H 6.513 0.01 1 364 . 39 TYR CA C 58.992 0.1 1 365 . 39 TYR CB C 38.176 0.1 1 366 . 39 TYR CD1 C 130.857 0.1 1 367 . 39 TYR CD2 C 130.857 0.1 1 368 . 39 TYR CE1 C 115.791 0.1 1 369 . 39 TYR CE2 C 115.791 0.1 1 370 . 39 TYR N N 118.935 0.1 1 371 . 40 TYR H H 8.092 0.1 1 372 . 40 TYR HA H 3.741 0.01 1 373 . 40 TYR HB2 H 2.199 0.01 1 374 . 40 TYR HD1 H 6.341 0.01 1 375 . 40 TYR HD2 H 6.341 0.01 1 376 . 40 TYR CA C 58.083 0.1 1 377 . 40 TYR CB C 34.485 0.1 1 378 . 40 TYR CD1 C 130.374 0.1 1 379 . 40 TYR CD2 C 130.374 0.1 1 380 . 40 TYR N N 113.821 0.1 1 381 . 41 ARG H H 8.137 0.01 1 382 . 41 ARG HA H 4.432 0.01 1 383 . 41 ARG HB2 H 2.028 0.01 2 384 . 41 ARG HB3 H 1.846 0.01 2 385 . 41 ARG HG2 H 1.481 0.01 1 386 . 41 ARG HG3 H 1.481 0.01 1 387 . 41 ARG HD2 H 3.175 0.01 1 388 . 41 ARG HD3 H 3.175 0.01 1 389 . 41 ARG HE H 7.2 0.01 1 390 . 41 ARG CA C 55.379 0.1 1 391 . 41 ARG N N 119.187 0.1 1 392 . 41 ARG NE N 119.943 0.1 1 393 . 45 LYS H H 8.531 0.01 1 394 . 45 LYS HA H 3.964 0.01 1 395 . 45 LYS HB2 H 1.735 0.01 2 396 . 45 LYS CA C 55.268 0.1 1 397 . 45 LYS CB C 29.825 0.1 1 398 . 45 LYS N N 120.776 0.1 1 399 . 46 GLY H H 8.975 0.01 1 400 . 46 GLY HA2 H 4.149 0.01 2 401 . 46 GLY HA3 H 3.868 0.01 2 402 . 46 GLY CA C 45.293 0.1 1 403 . 46 GLY N N 110.942 0.1 1 404 . 47 TRP H H 8.222 0.01 1 405 . 47 TRP HA H 4.37 0.02 1 406 . 47 TRP HB2 H 3.632 0.01 2 407 . 47 TRP HB3 H 3.732 0.01 2 408 . 47 TRP HD1 H 7.075 0.01 1 409 . 47 TRP HE1 H 10.542 0.01 1 410 . 47 TRP HE3 H 8.016 0.01 1 411 . 47 TRP HZ2 H 6.656 0.01 1 412 . 47 TRP HZ3 H 6.342 0.01 1 413 . 47 TRP HH2 H 6.669 0.01 1 414 . 47 TRP CA C 56.818 0.1 1 415 . 47 TRP CB C 25.226 0.1 1 416 . 47 TRP CD1 C 117.424 0.1 1 417 . 47 TRP CE3 C 126.804 0.1 1 418 . 47 TRP CZ2 C 114.641 0.1 1 419 . 47 TRP CZ3 C 130.374 0.1 1 420 . 47 TRP CH2 C 130.071 0.1 1 421 . 47 TRP N N 120.597 0.1 1 422 . 47 TRP NE1 N 131.082 0.1 1 423 . 48 GLN HE21 H 5.436 0.01 2 424 . 48 GLN HE22 H 6.551 0.01 2 425 . 48 GLN CA C 56.595 0.1 1 426 . 48 GLN NE2 N 108.298 0.1 1 427 . 49 ASN H H 7.676 0.01 1 428 . 49 ASN HA H 4.396 0.01 1 429 . 49 ASN HB2 H 2.977 0.01 2 430 . 49 ASN HB3 H 2.845 0.01 2 431 . 49 ASN HD21 H 7.004 0.01 2 432 . 49 ASN HD22 H 7.736 0.01 2 433 . 49 ASN CA C 53.492 0.1 1 434 . 49 ASN CB C 34.6 0.1 1 435 . 49 ASN N N 119.836 0.1 1 436 . 49 ASN ND2 N 112.769 0.1 1 437 . 50 SER H H 7.847 0.01 1 438 . 50 SER HA H 4.247 0.02 1 439 . 50 SER HB2 H 3.376 0.02 2 440 . 50 SER HB3 H 3.236 0.02 2 441 . 50 SER CA C 60.225 0.1 1 442 . 50 SER CB C 59.472 0.1 1 443 . 50 SER N N 116.784 0.1 1 444 . 51 ILE H H 7.977 0.01 1 445 . 51 ILE HA H 3.628 0.01 1 446 . 51 ILE HB H 2.476 0.01 1 447 . 51 ILE HG12 H 1.953 0.01 2 448 . 51 ILE HG13 H 1.654 0.01 2 449 . 51 ILE HG2 H 0.669 0.01 1 450 . 51 ILE HD1 H 0.918 0.01 1 451 . 51 ILE CA C 60.706 0.1 1 452 . 51 ILE CB C 32.161 0.1 1 453 . 51 ILE CG1 C 25.59 0.1 1 454 . 51 ILE CG2 C 14.334 0.1 1 455 . 51 ILE CD1 C 8.586 0.1 1 456 . 51 ILE N N 123.46 0.1 1 457 . 52 ARG H H 7.47 0.01 1 458 . 52 ARG HA H 3.676 0.02 1 459 . 52 ARG HB2 H 1.935 0.02 1 460 . 52 ARG HG2 H 1.565 0.01 1 461 . 52 ARG HG3 H 1.565 0.01 1 462 . 52 ARG HD2 H 3.254 0.01 1 463 . 52 ARG HD3 H 3.254 0.01 1 464 . 52 ARG HE H 7.309 0.01 1 465 . 52 ARG CA C 58.008 0.1 1 466 . 52 ARG CB C 27.465 0.1 1 467 . 52 ARG CG C 25.59 0.1 1 468 . 52 ARG CD C 41.081 0.1 1 469 . 52 ARG N N 117.693 0.1 1 470 . 52 ARG NE N 119.242 0.1 1 471 . 53 HIS H H 8.315 0.01 1 472 . 53 HIS HA H 4.326 0.02 1 473 . 53 HIS HB2 H 3.229 0.01 1 474 . 53 HIS CA C 56.596 0.1 1 475 . 53 HIS CB C 28.434 0.1 1 476 . 53 HIS N N 116.947 0.1 1 477 . 54 ASN H H 7.986 0.1 1 478 . 54 ASN HA H 4.251 0.01 1 479 . 54 ASN HB2 H 2.847 0.01 2 480 . 54 ASN HB3 H 2.299 0.01 2 481 . 54 ASN HD21 H 7.605 0.01 2 482 . 54 ASN HD22 H 7.707 0.01 2 483 . 54 ASN CA C 55.068 0.1 1 484 . 54 ASN CB C 38.102 0.1 1 485 . 54 ASN N N 116.131 0.1 1 486 . 54 ASN ND2 N 111.09 0.1 1 487 . 55 LEU H H 7.759 0.01 1 488 . 55 LEU HA H 3.837 0.01 1 489 . 55 LEU HB2 H 1.138 0.02 2 490 . 55 LEU HB3 H 0.109 0.01 2 491 . 55 LEU HG H -0.423 0.01 1 492 . 55 LEU HD1 H -0.528 0.01 2 493 . 55 LEU CA C 55.189 0.1 1 494 . 55 LEU CB C 38.479 0.1 1 495 . 55 LEU CG C 22.608 0.1 1 496 . 55 LEU CD1 C 19.478 0.1 1 497 . 55 LEU N N 119.31 0.1 1 498 . 56 SER H H 7.164 0.01 1 499 . 56 SER HA H 4.422 0.01 1 500 . 56 SER HB2 H 4.027 0.01 1 501 . 56 SER HB3 H 4.027 0.01 1 502 . 56 SER CA C 57.822 0.1 1 503 . 56 SER CB C 61.381 0.1 1 504 . 56 SER N N 108.317 0.1 1 505 . 57 LEU H H 7.548 0.01 1 506 . 57 LEU HA H 4.348 0.01 1 507 . 57 LEU HB2 H 1.611 0.01 2 508 . 57 LEU HB3 H 1.537 0.02 2 509 . 57 LEU HG H 1.622 0.01 1 510 . 57 LEU HD1 H 0.8 0.01 1 511 . 57 LEU CA C 53.489 0.1 1 512 . 57 LEU CB C 41.447 0.1 1 513 . 57 LEU CG C 24.379 0.1 1 514 . 57 LEU CD1 C 21.535 0.1 1 515 . 57 LEU N N 118.993 0.1 1 516 . 58 ASN H H 7.544 0.01 1 517 . 58 ASN HA H 4.667 0.01 1 518 . 58 ASN HB2 H 2.665 0.01 2 519 . 58 ASN HB3 H 2.105 0.02 2 520 . 58 ASN HD21 H 6.868 0.01 2 521 . 58 ASN HD22 H 7.807 0.01 2 522 . 58 ASN CA C 50.935 0.1 1 523 . 58 ASN CB C 37.208 0.1 1 524 . 58 ASN N N 116.112 0.1 1 525 . 58 ASN ND2 N 112.646 0.1 1 526 . 59 ARG H H 8.45 0.1 1 527 . 59 ARG HA H 4.324 0.01 1 528 . 59 ARG HB2 H 1.784 0.01 2 529 . 59 ARG HB3 H 1.787 0.01 2 530 . 59 ARG HG2 H 1.559 0.01 1 531 . 59 ARG HG3 H 1.559 0.01 1 532 . 59 ARG HD2 H 3.205 0.01 1 533 . 59 ARG HD3 H 3.205 0.01 1 534 . 59 ARG HE H 7.281 0.01 1 535 . 59 ARG CA C 54.936 0.1 1 536 . 59 ARG CB C 26.456 0.1 1 537 . 59 ARG CG C 24.379 0.1 1 538 . 59 ARG CD C 40.778 0.1 1 539 . 59 ARG N N 120.257 0.1 1 540 . 59 ARG NE N 119.871 0.1 1 541 . 60 TYR H H 7.215 0.01 1 542 . 60 TYR HA H 4.521 0.01 1 543 . 60 TYR HB2 H 2.624 0.02 2 544 . 60 TYR HB3 H 2.539 0.02 2 545 . 60 TYR HD1 H 6.683 0.01 1 546 . 60 TYR HD2 H 6.683 0.01 1 547 . 60 TYR HE1 H 7.094 0.01 1 548 . 60 TYR HE2 H 7.094 0.01 1 549 . 60 TYR CA C 54.521 0.1 1 550 . 60 TYR CB C 34.51 0.1 1 551 . 60 TYR CD1 C 130.253 0.1 1 552 . 60 TYR CD2 C 130.253 0.1 1 553 . 60 TYR CE1 C 116.698 0.1 1 554 . 60 TYR CE2 C 116.698 0.1 1 555 . 60 TYR N N 113.995 0.1 1 556 . 61 PHE H H 7.729 0.01 1 557 . 61 PHE HA H 5.765 0.01 1 558 . 61 PHE HB2 H 3.438 0.01 2 559 . 61 PHE HB3 H 3.33 0.01 2 560 . 61 PHE HD1 H 7.434 0.01 1 561 . 61 PHE HD2 H 7.434 0.01 1 562 . 61 PHE HE1 H 7.078 0.01 1 563 . 61 PHE HE2 H 7.078 0.01 1 564 . 61 PHE CA C 53.604 0.1 1 565 . 61 PHE CB C 37.367 0.1 1 566 . 61 PHE CD1 C 129.769 0.1 1 567 . 61 PHE CD2 C 129.769 0.1 1 568 . 61 PHE CE1 C 128.559 0.1 1 569 . 61 PHE CE2 C 128.559 0.1 1 570 . 61 PHE N N 118.575 0.1 1 571 . 62 ILE H H 9.438 0.01 1 572 . 62 ILE HA H 4.711 0.01 1 573 . 62 ILE HB H 1.83 0.01 1 574 . 62 ILE HG12 H 1.157 0.01 2 575 . 62 ILE HG13 H 1.513 0.01 2 576 . 62 ILE HG2 H 0.954 0.01 1 577 . 62 ILE HD1 H 0.964 0.01 1 578 . 62 ILE CA C 56.822 0.1 1 579 . 62 ILE CB C 39.023 0.1 1 580 . 62 ILE CG1 C 24.365 0.1 1 581 . 62 ILE CG2 C 14.879 0.1 1 582 . 62 ILE CD1 C 15.06 0.1 1 583 . 62 ILE N N 120.532 0.1 1 584 . 63 LYS H H 8.298 0.01 1 585 . 63 LYS HA H 3.952 0.02 1 586 . 63 LYS HB2 H 1.165 0.02 2 587 . 63 LYS HB3 H 0.927 0.01 2 588 . 63 LYS HG2 H 0.364 0.01 2 589 . 63 LYS HG3 H 0.386 0.01 2 590 . 63 LYS HD2 H 1.34 0.01 1 591 . 63 LYS HD3 H 1.34 0.01 1 592 . 63 LYS HE2 H 2.78 0.01 1 593 . 63 LYS HE3 H 2.78 0.01 1 594 . 63 LYS CA C 52.92 0.1 1 595 . 63 LYS CB C 29.757 0.1 1 596 . 63 LYS CG C 22.08 0.1 1 597 . 63 LYS CD C 26.8 0.1 1 598 . 63 LYS CE C 39.386 0.1 1 599 . 63 LYS N N 125.37 0.1 1 600 . 64 VAL H H 8.711 0.01 1 601 . 64 VAL HA H 4.294 0.01 1 602 . 64 VAL HB H 1.985 0.01 1 603 . 64 VAL HG1 H 0.958 0.01 2 604 . 64 VAL HG2 H 0.825 0.01 2 605 . 64 VAL CA C 57.317 0.1 1 606 . 64 VAL CB C 30.794 0.1 1 607 . 64 VAL CG1 C 18.207 0.1 1 608 . 64 VAL CG2 C 18.268 0.1 1 609 . 64 VAL N N 127.117 0.1 1 610 . 65 PRO HA H 4.419 0.01 1 611 . 65 PRO HB2 H 2.264 0.01 1 612 . 65 PRO HG2 H 1.962 0.01 1 613 . 65 PRO HG3 H 1.962 0.01 1 614 . 65 PRO CA C 60.703 0.1 1 615 . 65 PRO CB C 29.343 0.1 1 616 . 65 PRO CG C 27.526 0.1 1 617 . 66 ARG H H 8.304 0.01 1 618 . 66 ARG HA H 4.327 0.01 1 619 . 66 ARG HB2 H 1.832 0.02 2 620 . 66 ARG HB3 H 1.608 0.02 2 621 . 66 ARG HG2 H 1.531 0.01 2 622 . 66 ARG HG3 H 1.473 0.01 2 623 . 66 ARG HD2 H 3.054 0.01 1 624 . 66 ARG HD3 H 3.054 0.01 1 625 . 66 ARG HE H 7.101 0.01 1 626 . 66 ARG CA C 53.921 0.1 1 627 . 66 ARG CB C 28.377 0.1 1 628 . 66 ARG CG C 22.685 0.1 1 629 . 66 ARG CD C 40.112 0.1 1 630 . 66 ARG N N 120.768 0.1 1 631 . 66 ARG NE N 119.868 0.1 1 632 . 67 SER H H 8.597 0.01 1 633 . 67 SER HA H 4.467 0.01 1 634 . 67 SER HB2 H 3.984 0.01 2 635 . 67 SER HB3 H 3.868 0.01 2 636 . 67 SER CA C 55.823 0.1 1 637 . 67 SER CB C 61.421 0.1 1 638 . 67 SER N N 115.749 0.1 1 639 . 68 GLN H H 8.493 0.01 1 640 . 68 GLN HA H 4.269 0.01 1 641 . 68 GLN HB2 H 2.175 0.02 2 642 . 68 GLN HG2 H 2.4 0.01 1 643 . 68 GLN HG3 H 2.4 0.01 1 644 . 68 GLN HE21 H 6.863 0.01 2 645 . 68 GLN HE22 H 7.585 0.01 2 646 . 68 GLN CA C 54.309 0.1 1 647 . 68 GLN CB C 26.296 0.1 1 648 . 68 GLN CG C 31.459 0.1 1 649 . 68 GLN N N 121.175 0.1 1 650 . 68 GLN NE2 N 111.426 0.1 1 651 . 69 GLU H H 8.367 0.01 1 652 . 69 GLU HA H 4.022 0.01 1 653 . 69 GLU HB2 H 1.962 0.01 2 654 . 69 GLU HB3 H 2.099 0.02 2 655 . 69 GLU HG2 H 2.294 0.01 1 656 . 69 GLU CA C 54.439 0.1 1 657 . 69 GLU CB C 27.129 0.1 1 658 . 69 GLU N N 118.717 0.1 1 659 . 70 GLU H H 7.992 0.01 1 660 . 70 GLU HA H 4.749 0.01 1 661 . 70 GLU HB2 H 1.953 0.01 2 662 . 70 GLU HB3 H 2.069 0.01 2 663 . 70 GLU HG2 H 2.261 0.01 1 664 . 70 GLU CA C 51.551 0.1 1 665 . 70 GLU CB C 27.889 0.1 1 666 . 70 GLU CG C 33.88 0.1 1 667 . 70 GLU N N 120.519 0.1 1 668 . 71 PRO HA H 4.411 0.01 1 669 . 71 PRO HB2 H 2.331 0.01 2 670 . 71 PRO HB3 H 1.971 0.01 2 671 . 71 PRO HG2 H 2.082 0.01 1 672 . 71 PRO HG3 H 2.082 0.01 1 673 . 71 PRO HD2 H 3.749 0.01 1 674 . 71 PRO CA C 61.954 0.1 1 675 . 71 PRO CB C 29.644 0.1 1 676 . 71 PRO CG C 24.984 0.1 1 677 . 71 PRO CD C 48.403 0.1 1 678 . 72 GLY H H 8.76 0.01 1 679 . 72 GLY HA2 H 4.055 0.01 2 680 . 72 GLY HA3 H 3.936 0.01 2 681 . 72 GLY CA C 43.164 0.1 1 682 . 72 GLY N N 108.288 0.1 1 683 . 73 LYS H H 7.858 0.01 1 684 . 73 LYS HA H 4.443 0.01 1 685 . 73 LYS HB2 H 1.914 0.01 2 686 . 73 LYS HB3 H 1.873 0.01 2 687 . 73 LYS HG2 H 1.41 0.01 2 688 . 73 LYS HG3 H 1.511 0.01 2 689 . 73 LYS HD2 H 1.673 0.01 2 690 . 73 LYS HD3 H 1.708 0.01 2 691 . 73 LYS HE2 H 3.011 0.01 1 692 . 73 LYS HE3 H 3.011 0.01 1 693 . 73 LYS CA C 53.815 0.1 1 694 . 73 LYS CB C 30.521 0.1 1 695 . 73 LYS CG C 22.685 0.1 1 696 . 73 LYS CD C 26.497 0.1 1 697 . 73 LYS CE C 39.689 0.1 1 698 . 73 LYS N N 118.957 0.1 1 699 . 74 GLY H H 8.198 0.01 1 700 . 74 GLY HA2 H 4.017 0.02 1 701 . 74 GLY HA3 H 4.017 0.02 1 702 . 74 GLY CA C 42.313 0.1 1 703 . 74 GLY N N 107.525 0.1 1 704 . 75 SER H H 8.042 0.01 1 705 . 75 SER HA H 4.522 0.01 1 706 . 75 SER HB2 H 3.546 0.01 2 707 . 75 SER HB3 H 3.361 0.01 2 708 . 75 SER CA C 56.199 0.1 1 709 . 75 SER CB C 62.018 0.1 1 710 . 75 SER N N 113.918 0.1 1 711 . 76 PHE H H 8.71 0.01 1 712 . 76 PHE HA H 4.519 0.02 1 713 . 76 PHE HB2 H 2.733 0.02 1 714 . 76 PHE HD1 H 7.034 0.01 2 715 . 76 PHE HD2 H 7.383 0.01 2 716 . 76 PHE CA C 55.317 0.1 1 717 . 76 PHE CB C 39.806 0.1 1 718 . 76 PHE CD1 C 128.68 0.1 1 719 . 76 PHE CD2 C 129.103 0.1 1 720 . 76 PHE N N 119.734 0.1 1 721 . 77 TRP H H 8.994 0.01 1 722 . 77 TRP HA H 5.353 0.01 1 723 . 77 TRP HB2 H 2.961 0.01 1 724 . 77 TRP HD1 H 6.972 0.01 1 725 . 77 TRP HE1 H 9.632 0.01 1 726 . 77 TRP HE3 H 7.381 0.01 1 727 . 77 TRP HZ2 H 7.323 0.01 1 728 . 77 TRP HH2 H 7.074 0.01 1 729 . 77 TRP CA C 54.379 0.1 1 730 . 77 TRP CB C 29.099 0.1 1 731 . 77 TRP CD1 C 123.415 0.1 1 732 . 77 TRP CE3 C 118.09 0.1 1 733 . 77 TRP CZ2 C 111.373 0.1 1 734 . 77 TRP CH2 C 120.995 0.1 1 735 . 77 TRP N N 120.288 0.1 1 736 . 77 TRP NE1 N 126.097 0.1 1 737 . 78 ARG H H 9.331 0.01 1 738 . 78 ARG HA H 5.132 0.01 1 739 . 78 ARG HB2 H 1.944 0.01 2 740 . 78 ARG HB3 H 2.167 0.02 2 741 . 78 ARG HG2 H 1.477 0.01 1 742 . 78 ARG HG3 H 1.477 0.01 1 743 . 78 ARG HD2 H 3.186 0.01 1 744 . 78 ARG HD3 H 3.186 0.01 1 745 . 78 ARG HE H 7.164 0.01 1 746 . 78 ARG CA C 51.931 0.1 1 747 . 78 ARG CB C 32.4 0.1 1 748 . 78 ARG CG C 26.134 0.1 1 749 . 78 ARG CD C 41.383 0.1 1 750 . 78 ARG N N 117.292 0.1 1 751 . 78 ARG NE N 119.432 0.1 1 752 . 79 ILE H H 9.269 0.01 1 753 . 79 ILE HA H 4.93 0.01 1 754 . 79 ILE HB H 1.805 0.01 1 755 . 79 ILE HG12 H 1.317 0.01 2 756 . 79 ILE HG2 H 1.018 0.01 1 757 . 79 ILE CA C 57.699 0.1 1 758 . 79 ILE CB C 36.207 0.1 1 759 . 79 ILE CG1 C 26.739 0.1 1 760 . 79 ILE CG2 C 15.847 0.1 1 761 . 79 ILE N N 119.174 0.1 1 762 . 80 ASP H H 8.925 0.01 1 763 . 80 ASP HA H 4.608 0.01 1 764 . 80 ASP HB2 H 2.755 0.02 2 765 . 80 ASP CA C 50.298 0.1 1 766 . 80 ASP CB C 40.839 0.1 1 767 . 80 ASP N N 127.268 0.1 1 768 . 81 PRO HA H 4.429 0.01 1 769 . 81 PRO HB2 H 2.472 0.01 2 770 . 81 PRO HB3 H 2.113 0.01 2 771 . 81 PRO CA C 62.851 0.1 1 772 . 81 PRO CB C 29.455 0.1 1 773 . 82 ALA H H 8.349 0.01 1 774 . 82 ALA HA H 4.323 0.01 1 775 . 82 ALA HB H 1.542 0.01 1 776 . 82 ALA CA C 51.798 0.1 1 777 . 82 ALA CB C 15.72 0.1 1 778 . 82 ALA N N 118.607 0.1 1 779 . 83 SER H H 7.822 0.01 1 780 . 83 SER HA H 4.682 0.01 1 781 . 83 SER HB2 H 3.866 0.01 2 782 . 83 SER HB3 H 3.72 0.01 2 783 . 83 SER CA C 56.327 0.1 1 784 . 83 SER CB C 62.264 0.1 1 785 . 83 SER N N 111.327 0.1 1 786 . 84 GLU H H 7.43 0.01 1 787 . 84 GLU HA H 3.712 0.02 1 788 . 84 GLU HB2 H 2.136 0.02 2 789 . 84 GLU HB3 H 1.939 0.02 2 790 . 84 GLU HG2 H 1.766 0.01 2 791 . 84 GLU CA C 58.597 0.1 1 792 . 84 GLU CB C 27.996 0.1 1 793 . 84 GLU CG C 30.31 0.1 1 794 . 84 GLU N N 121.12 0.1 1 795 . 85 SER H H 8.831 0.01 1 796 . 85 SER HA H 4.161 0.01 1 797 . 85 SER HB2 H 3.972 0.01 1 798 . 85 SER HB3 H 3.972 0.01 1 799 . 85 SER CA C 59.824 0.1 1 800 . 85 SER CB C 59.824 0.1 1 801 . 85 SER N N 112.792 0.1 1 802 . 86 LYS H H 7.841 0.01 1 803 . 86 LYS HA H 4.216 0.02 1 804 . 86 LYS HB2 H 1.862 0.02 2 805 . 86 LYS HG2 H 1.483 0.01 1 806 . 86 LYS HG3 H 1.483 0.01 1 807 . 86 LYS HD2 H 1.682 0.01 1 808 . 86 LYS HD3 H 1.682 0.01 1 809 . 86 LYS HE2 H 3.042 0.01 1 810 . 86 LYS HE3 H 3.042 0.01 1 811 . 86 LYS CA C 55.888 0.1 1 812 . 86 LYS CB C 29.248 0.1 1 813 . 86 LYS CG C 22.685 0.1 1 814 . 86 LYS CE C 39.689 0.1 1 815 . 86 LYS N N 120.597 0.01 1 816 . 87 LEU H H 7.848 0.01 1 817 . 87 LEU HA H 4.031 0.01 1 818 . 87 LEU HB2 H 1.707 0.02 2 819 . 87 LEU HB3 H 1.309 0.02 2 820 . 87 LEU HG H 1.29 0.01 1 821 . 87 LEU HD1 H 0.279 0.01 2 822 . 87 LEU HD2 H 0.27 0.01 2 823 . 87 LEU CA C 55.065 0.1 1 824 . 87 LEU CB C 38.835 0.1 1 825 . 87 LEU CG C 21.596 0.1 1 826 . 87 LEU CD1 C 19.417 0.1 1 827 . 87 LEU CD2 C 23.532 0.1 1 828 . 87 LEU N N 118.673 0.1 1 829 . 88 ILE H H 8.544 0.01 1 830 . 88 ILE HA H 3.688 0.01 1 831 . 88 ILE HB H 1.96 0.01 1 832 . 88 ILE HG12 H 1.208 0.01 1 833 . 88 ILE HG2 H 1.012 0.01 1 834 . 88 ILE HD1 H 0.779 0.01 1 835 . 88 ILE CA C 63.521 0.1 1 836 . 88 ILE CB C 35.574 0.1 1 837 . 88 ILE CG1 C 27.344 0.1 1 838 . 88 ILE CG2 C 15.242 0.1 1 839 . 88 ILE CD1 C 16.15 0.1 1 840 . 88 ILE N N 119.257 0.1 1 841 . 89 GLU H H 7.564 0.1 1 842 . 89 GLU HA H 4.185 0.01 1 843 . 89 GLU HB2 H 2.235 0.01 2 844 . 89 GLU HG2 H 2.49 0.01 1 845 . 89 GLU CA C 56.748 0.1 1 846 . 89 GLU CB C 26.777 0.1 1 847 . 89 GLU CG C 33.819 0.1 1 848 . 89 GLU N N 118.607 0.1 1 849 . 90 GLN H H 7.559 0.01 1 850 . 90 GLN HA H 4.292 0.01 1 851 . 90 GLN HB2 H 2.122 0.01 2 852 . 90 GLN HB3 H 2.255 0.02 2 853 . 90 GLN HG2 H 2.602 0.01 1 854 . 90 GLN HG3 H 2.602 0.01 1 855 . 90 GLN HE21 H 7.548 0.01 2 856 . 90 GLN HE22 H 7.788 0.01 2 857 . 90 GLN CA C 54.233 0.1 1 858 . 90 GLN CB C 26.605 0.1 1 859 . 90 GLN CG C 31.459 0.1 1 860 . 90 GLN N N 114.003 0.1 1 861 . 90 GLN NE2 N 113.529 0.1 1 862 . 91 ALA H H 8.087 0.01 1 863 . 91 ALA HA H 4.029 0.01 1 864 . 91 ALA HB H 1.359 0.01 1 865 . 91 ALA CA C 53.301 0.1 1 866 . 91 ALA CB C 16.198 0.1 1 867 . 91 ALA N N 122.263 0.1 1 868 . 92 PHE H H 7.967 0.01 1 869 . 92 PHE HA H 4.51 0.01 1 870 . 92 PHE HB2 H 3.503 0.01 2 871 . 92 PHE HB3 H 2.84 0.01 2 872 . 92 PHE HD1 H 7.396 0.01 2 873 . 92 PHE HD2 H 7.135 0.01 2 874 . 92 PHE CA C 55.101 0.1 1 875 . 92 PHE CB C 36.51 0.1 1 876 . 92 PHE CD1 C 130.495 0.1 1 877 . 92 PHE CD2 C 128.619 0.1 1 878 . 92 PHE N N 110.793 0.1 1 879 . 93 ARG H H 7.528 0.01 1 880 . 93 ARG HA H 4.478 0.01 1 881 . 93 ARG HB2 H 1.946 0.01 2 882 . 93 ARG HB3 H 1.702 0.01 2 883 . 93 ARG HG2 H 1.839 0.01 2 884 . 93 ARG HG3 H 1.738 0.01 2 885 . 93 ARG HD2 H 3.313 0.01 1 886 . 93 ARG HD3 H 3.313 0.01 1 887 . 93 ARG HE H 7.244 0.01 1 888 . 93 ARG CA C 53.941 0.1 1 889 . 93 ARG CB C 27.345 0.1 1 890 . 93 ARG CG C 24.984 0.1 1 891 . 93 ARG CD C 41.141 0.1 1 892 . 93 ARG N N 121.374 0.1 1 893 . 93 ARG NE N 120.08 0.1 1 894 . 94 LYS H H 8.603 0.1 1 895 . 94 LYS HA H 4.226 0.01 1 896 . 94 LYS HB2 H 1.766 0.01 1 897 . 94 LYS HG2 H 1.297 0.01 1 898 . 94 LYS HG3 H 1.297 0.01 1 899 . 94 LYS HE2 H 2.965 0.01 1 900 . 94 LYS HE3 H 2.965 0.01 1 901 . 94 LYS CA C 54.451 0.1 1 902 . 94 LYS CB C 30.521 0.1 1 903 . 94 LYS CG C 22.806 0.1 1 904 . 94 LYS CE C 39.628 0.1 1 905 . 94 LYS N N 124.518 0.1 1 906 . 95 ARG H H 8.471 0.01 1 907 . 95 ARG HA H 4.364 0.01 1 908 . 95 ARG HB2 H 1.794 0.02 2 909 . 95 ARG HG2 H 1.682 0.01 1 910 . 95 ARG HG3 H 1.682 0.01 1 911 . 95 ARG HD2 H 3.178 0.01 1 912 . 95 ARG HD3 H 3.178 0.01 1 913 . 95 ARG CA C 53.317 0.1 1 914 . 95 ARG CB C 28.221 0.1 1 915 . 95 ARG CG C 24.44 0.1 1 916 . 95 ARG N N 121.813 0.1 1 917 . 96 ARG H H 8.404 0.01 1 918 . 96 ARG HA H 4.62 0.01 1 919 . 96 ARG HB2 H 1.891 0.02 2 920 . 96 ARG HB3 H 1.776 0.02 2 921 . 96 ARG HG2 H 1.714 0.01 1 922 . 96 ARG HG3 H 1.714 0.01 1 923 . 96 ARG HD2 H 3.243 0.01 1 924 . 96 ARG HD3 H 3.243 0.01 1 925 . 96 ARG CA C 51.582 0.1 1 926 . 96 ARG CB C 28.978 0.1 1 927 . 96 ARG N N 123.203 0.1 1 928 . 97 PRO HA H 4.321 0.02 1 929 . 97 PRO HB2 H 2.122 0.02 2 930 . 97 PRO HB3 H 1.924 0.02 2 931 . 97 PRO CA C 61.286 0.1 1 932 . 97 PRO CB C 29.025 0.1 1 933 . 98 ARG H H 7.82 0.01 1 934 . 98 ARG HA H 4.165 0.01 1 935 . 98 ARG HB2 H 1.868 0.02 2 936 . 98 ARG HB3 H 1.768 0.01 2 937 . 98 ARG HG2 H 1.638 0.01 1 938 . 98 ARG HG3 H 1.638 0.01 1 939 . 98 ARG HD2 H 3.238 0.01 1 940 . 98 ARG HD3 H 3.238 0.01 1 941 . 98 ARG CA C 55.218 0.1 1 942 . 98 ARG CB C 30.188 0.1 1 943 . 98 ARG N N 124.407 0.1 1 stop_ save_