data_17171 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The chemical shift assignment of the SWIRM domain of LSD1 ; _BMRB_accession_number 17171 _BMRB_flat_file_name bmr17171.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Changdong . . 2 LO 'Ka Ching' . . 3 ZHU Guang . . 4 SZE 'Kong Hung' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 570 "13C chemical shifts" 370 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-01 original author . stop_ _Original_release_date 2012-08-01 save_ ############################# # Citation for this entry # ############################# save_The_chemical_shift_assignment_of_the_SWIRM_domain_of_LSD1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The chemical shift assignment of the SWIRM domain of LSD1' _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 LIU Changdong . . 2 LUO Raymond . . 3 SZE 'Kong Hung' . . 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 SWIRM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SWIRM $SWIRM 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_SWIRM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SWIRM _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GSVEGAAFQSRLPHDRMTSQ EAACFPDIISGPQQTQKVFL FIRNRTLQLWLDNPKIQLTF EATLQQLEAPYNSDTVLVHR VHSYLERHGLINFGIYKRIK PL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 VAL 4 GLU 5 GLY 6 ALA 7 ALA 8 PHE 9 GLN 10 SER 11 ARG 12 LEU 13 PRO 14 HIS 15 ASP 16 ARG 17 MET 18 THR 19 SER 20 GLN 21 GLU 22 ALA 23 ALA 24 CYS 25 PHE 26 PRO 27 ASP 28 ILE 29 ILE 30 SER 31 GLY 32 PRO 33 GLN 34 GLN 35 THR 36 GLN 37 LYS 38 VAL 39 PHE 40 LEU 41 PHE 42 ILE 43 ARG 44 ASN 45 ARG 46 THR 47 LEU 48 GLN 49 LEU 50 TRP 51 LEU 52 ASP 53 ASN 54 PRO 55 LYS 56 ILE 57 GLN 58 LEU 59 THR 60 PHE 61 GLU 62 ALA 63 THR 64 LEU 65 GLN 66 GLN 67 LEU 68 GLU 69 ALA 70 PRO 71 TYR 72 ASN 73 SER 74 ASP 75 THR 76 VAL 77 LEU 78 VAL 79 HIS 80 ARG 81 VAL 82 HIS 83 SER 84 TYR 85 LEU 86 GLU 87 ARG 88 HIS 89 GLY 90 LEU 91 ILE 92 ASN 93 PHE 94 GLY 95 ILE 96 TYR 97 LYS 98 ARG 99 ILE 100 LYS 101 PRO 102 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 10011 "SWIRM domain" 99.02 124 99.01 99.01 6.83e-68 PDB 2COM "The Solution Structure Of The Swirm Domain Of Human Lsd1" 99.02 124 99.01 99.01 6.83e-68 PDB 2DW4 "Crystal Structure Of Human Lsd1 At 2.3 A Resolution" 99.02 660 99.01 99.01 1.55e-62 PDB 2EJR "Lsd1-Tranylcypromine Complex" 99.02 662 99.01 99.01 1.53e-62 PDB 2H94 "Crystal Structure And Mechanism Of Human Lysine-Specific Demethylase-1" 99.02 664 99.01 99.01 1.55e-62 PDB 2HKO "Crystal Structure Of Lsd1" 99.02 664 99.01 99.01 1.33e-62 PDB 2IW5 "Structural Basis For Corest-dependent Demethylation Of Nucleosomes By The Human Lsd1 Histone Demethylase" 99.02 666 99.01 99.01 1.84e-62 PDB 2L3D "The Solution Structure Of The Short Form Swirm Domain Of Lsd1" 100.00 102 100.00 100.00 3.84e-69 PDB 2UXN "Structural Basis Of Histone Demethylation By Lsd1 Revealed By Suicide Inactivation" 99.02 666 99.01 99.01 1.84e-62 PDB 2UXX "Human Lsd1 Histone Demethylase-corest In Complex With An Fad-tranylcypromine Adduct" 99.02 666 99.01 99.01 1.84e-62 PDB 2V1D "Structural Basis Of Lsd1-Corest Selectivity In Histone H3 Recognition" 99.02 730 99.01 99.01 3.06e-62 PDB 2X0L "Crystal Structure Of A Neuro-Specific Splicing Variant Of Human Histone Lysine Demethylase Lsd1" 99.02 734 99.01 99.01 2.81e-62 PDB 2XAF "Crystal Structure Of Lsd1-Corest In Complex With Para-Bromo- (+)-Cis-2-Phenylcyclopropyl-1-Amine" 99.02 852 99.01 99.01 2.11e-62 PDB 2XAG "Crystal Structure Of Lsd1-Corest In Complex With Para-Bromo- (-)-Trans-2-Phenylcyclopropyl-1-Amine" 99.02 852 99.01 99.01 2.11e-62 PDB 2XAH "Crystal Structure Of Lsd1-Corest In Complex With (+)- Trans-2-Phenylcyclopropyl-1-Amine" 99.02 852 99.01 99.01 2.11e-62 PDB 2XAJ "Crystal Structure Of Lsd1-Corest In Complex With (-)-Trans- 2-Phenylcyclopropyl-1-Amine" 99.02 852 99.01 99.01 2.11e-62 PDB 2XAQ "Crystal Structure Of Lsd1-Corest In Complex With A Tranylcypromine Derivative (Mc2584, 13b)" 99.02 852 99.01 99.01 2.11e-62 PDB 2XAS "Crystal Structure Of Lsd1-Corest In Complex With A Tranylcypromine Derivative (Mc2580, 14e)" 99.02 852 99.01 99.01 2.11e-62 PDB 2Y48 "Crystal Structure Of Lsd1-Corest In Complex With A N- Terminal Snail Peptide" 99.02 730 99.01 99.01 3.06e-62 PDB 2Z3Y "Crystal Structure Of Lysine-Specific Demethylase1" 99.02 662 99.01 99.01 1.53e-62 PDB 2Z5U "Crystal Structure Of Lysine-specific Histone Demethylase 1" 99.02 662 99.01 99.01 1.53e-62 PDB 3ABT "Crystal Structure Of Lsd1 In Complex With Trans-2- Pentafluorophenylcyclopropylamine" 99.02 662 99.01 99.01 1.53e-62 PDB 3ABU "Crystal Structure Of Lsd1 In Complex With A 2-Pcpa Derivative, S1201" 99.02 662 99.01 99.01 1.53e-62 PDB 3ZMS "Lsd1-corest In Complex With Insm1 Peptide" 99.02 872 99.01 99.01 1.89e-62 PDB 3ZMT "Lsd1-corest In Complex With Prsflv Peptide" 99.02 872 99.01 99.01 1.89e-62 PDB 3ZMU "Lsd1-corest In Complex With Pksflv Peptide" 99.02 872 99.01 99.01 1.89e-62 PDB 3ZMV "Lsd1-corest In Complex With Plsflv Peptide" 99.02 872 99.01 99.01 1.89e-62 PDB 3ZMZ "Lsd1-corest In Complex With Prsfav Peptide" 99.02 872 99.01 99.01 1.89e-62 PDB 3ZN0 "Lsd1-corest In Complex With Prsfaa Peptide" 99.02 872 99.01 99.01 1.89e-62 PDB 3ZN1 "Lsd1-corest In Complex With Prlylv Peptide" 99.02 872 99.01 99.01 1.89e-62 PDB 4BAY "Phosphomimetic Mutant Of Lsd1-8a Splicing Variant In Complex With Corest" 99.02 686 99.01 99.01 2.38e-62 PDB 4CZZ "Histone Demethylase Lsd1(kdm1a)-corest3 Complex" 99.02 872 99.01 99.01 1.89e-62 PDB 4KUM "Structure Of Lsd1-corest-tetrahydrofolate Complex" 99.02 666 99.01 99.01 1.84e-62 PDB 4UV8 "Lsd1(kdm1a)-corest In Complex With 1-benzyl-tranylcypromine" 99.02 872 99.01 99.01 1.89e-62 PDB 4UV9 "Lsd1(kdm1a)-corest In Complex With 1-ethyl-tranylcypromine" 99.02 872 99.01 99.01 1.89e-62 PDB 4UVA "Lsd1(kdm1a)-corest In Complex With 1-methyl-tranylcypromine (1r,2s)" 99.02 872 99.01 99.01 1.89e-62 PDB 4UVB "Lsd1(kdm1a)-corest In Complex With 1-methyl-tranylcypromine (1s,2r)" 99.02 872 99.01 99.01 1.89e-62 PDB 4UVC "Lsd1(kdm1a)-corest In Complex With 1-phenyl-tranylcypromine" 99.02 872 99.01 99.01 1.89e-62 PDB 4UXN "Lsd1(kdm1a)-corest In Complex With Z-pro Derivative Of Mc2580" 99.02 852 99.01 99.01 2.11e-62 DBJ BAA25527 "KIAA0601 protein [Homo sapiens]" 99.02 886 99.01 99.01 2.21e-62 DBJ BAC97980 "mKIAA0601 protein [Mus musculus]" 99.02 879 99.01 99.01 1.88e-62 DBJ BAF83017 "unnamed protein product [Homo sapiens]" 99.02 730 99.01 99.01 2.88e-62 DBJ BAG09773 "amine oxidase (flavin containing) domain 2 [synthetic construct]" 99.02 852 99.01 99.01 2.11e-62 EMBL CAH90077 "hypothetical protein [Pongo abelii]" 99.02 688 99.01 99.01 1.90e-62 GB AAH16639 "AOF2 protein, partial [Homo sapiens]" 67.65 648 100.00 100.00 1.28e-38 GB AAH40194 "AOF2 protein [Homo sapiens]" 99.02 876 99.01 99.01 2.06e-62 GB AAH48134 "Amine oxidase (flavin containing) domain 2 [Homo sapiens]" 99.02 852 99.01 99.01 2.09e-62 GB AAH59885 "Amine oxidase (flavin containing) domain 2 [Mus musculus]" 99.02 803 98.02 98.02 4.92e-61 GB AAI51757 "AOF2 protein [Bos taurus]" 98.04 363 100.00 100.00 1.75e-65 REF NP_001009999 "lysine-specific histone demethylase 1A isoform a [Homo sapiens]" 99.02 876 99.01 99.01 2.00e-62 REF NP_001106157 "lysine-specific histone demethylase 1A [Sus scrofa]" 99.02 873 98.02 99.01 5.67e-62 REF NP_001123570 "lysine-specific histone demethylase 1A [Rattus norvegicus]" 99.02 872 99.01 99.01 1.80e-62 REF NP_001252568 "lysine (K)-specific demethylase 1A [Macaca mulatta]" 99.02 876 99.01 99.01 1.90e-62 REF NP_055828 "lysine-specific histone demethylase 1A isoform b [Homo sapiens]" 99.02 852 99.01 99.01 2.11e-62 SP O60341 "RecName: Full=Lysine-specific histone demethylase 1A; AltName: Full=BRAF35-HDAC complex protein BHC110; AltName: Full=Flavin-co" 99.02 852 99.01 99.01 2.11e-62 SP Q6ZQ88 "RecName: Full=Lysine-specific histone demethylase 1A; AltName: Full=BRAF35-HDAC complex protein BHC110; AltName: Full=Flavin-co" 99.02 853 99.01 99.01 1.72e-62 TPG DAA32187 "TPA: lysine (K)-specific demethylase 1A isoform 1 [Bos taurus]" 99.02 877 99.01 99.01 1.69e-62 TPG DAA32188 "TPA: lysine (K)-specific demethylase 1A isoform 2 [Bos taurus]" 99.02 853 99.01 99.01 1.76e-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 $SWIRM 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 $SWIRM 'recombinant technology' . Escherichia coli BL21(DE3) pGex-4T 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 $SWIRM 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SWIRM 0.8 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . 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 750 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SWIRM _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 3 3 VAL H H 8.181 0.020 1 2 3 3 VAL HA H 4.111 0.020 1 3 3 3 VAL HB H 2.027 0.020 1 4 3 3 VAL HG1 H 0.893 0.020 2 5 3 3 VAL HG2 H 0.893 0.020 2 6 3 3 VAL C C 176.059 0.400 1 7 3 3 VAL CA C 62.512 0.400 1 8 3 3 VAL CB C 32.799 0.400 1 9 3 3 VAL CG1 C 21.303 0.400 1 10 3 3 VAL CG2 C 20.640 0.400 1 11 3 3 VAL N N 121.605 0.400 1 12 4 4 GLU H H 8.544 0.020 1 13 4 4 GLU HA H 4.222 0.020 1 14 4 4 GLU HB2 H 1.920 0.020 2 15 4 4 GLU HB3 H 2.001 0.020 2 16 4 4 GLU HG2 H 2.218 0.020 2 17 4 4 GLU HG3 H 2.218 0.020 2 18 4 4 GLU C C 177.037 0.400 1 19 4 4 GLU CA C 57.039 0.400 1 20 4 4 GLU CB C 30.328 0.400 1 21 4 4 GLU CG C 36.329 0.400 1 22 4 4 GLU N N 124.788 0.400 1 23 5 5 GLY H H 8.426 0.020 1 24 5 5 GLY HA2 H 3.889 0.020 2 25 5 5 GLY HA3 H 3.935 0.020 2 26 5 5 GLY C C 174.149 0.400 1 27 5 5 GLY CA C 45.491 0.400 1 28 5 5 GLY N N 110.097 0.400 1 29 6 6 ALA H H 8.078 0.020 1 30 6 6 ALA HA H 4.231 0.020 1 31 6 6 ALA HB H 1.316 0.020 1 32 6 6 ALA C C 177.841 0.400 1 33 6 6 ALA CA C 52.814 0.400 1 34 6 6 ALA CB C 19.373 0.400 1 35 6 6 ALA N N 123.624 0.400 1 36 7 7 ALA H H 8.183 0.020 1 37 7 7 ALA HA H 4.198 0.020 1 38 7 7 ALA HB H 1.260 0.020 1 39 7 7 ALA C C 177.809 0.400 1 40 7 7 ALA CA C 52.891 0.400 1 41 7 7 ALA CB C 18.927 0.400 1 42 7 7 ALA N N 122.325 0.400 1 43 8 8 PHE H H 8.029 0.020 1 44 8 8 PHE HA H 4.534 0.020 1 45 8 8 PHE HB2 H 3.040 0.020 2 46 8 8 PHE HB3 H 3.118 0.020 2 47 8 8 PHE HD1 H 7.212 0.020 1 48 8 8 PHE HD2 H 7.212 0.020 1 49 8 8 PHE C C 176.015 0.400 1 50 8 8 PHE CA C 58.100 0.400 1 51 8 8 PHE CB C 39.438 0.400 1 52 8 8 PHE N N 118.678 0.400 1 53 9 9 GLN H H 8.185 0.020 1 54 9 9 GLN HA H 4.284 0.020 1 55 9 9 GLN HB2 H 1.962 0.020 2 56 9 9 GLN HB3 H 2.064 0.020 2 57 9 9 GLN HG2 H 2.292 0.020 2 58 9 9 GLN HG3 H 2.292 0.020 2 59 9 9 GLN C C 175.695 0.400 1 60 9 9 GLN CA C 56.052 0.400 1 61 9 9 GLN CB C 29.539 0.400 1 62 9 9 GLN CG C 33.784 0.400 1 63 9 9 GLN N N 121.072 0.400 1 64 10 10 SER H H 8.181 0.020 1 65 10 10 SER HA H 4.403 0.020 1 66 10 10 SER HB2 H 3.876 0.020 2 67 10 10 SER HB3 H 3.876 0.020 2 68 10 10 SER C C 174.169 0.400 1 69 10 10 SER CA C 58.462 0.400 1 70 10 10 SER CB C 63.930 0.400 1 71 10 10 SER N N 116.384 0.400 1 72 11 11 ARG H H 8.240 0.020 1 73 11 11 ARG HA H 4.357 0.020 1 74 11 11 ARG HB2 H 1.757 0.020 2 75 11 11 ARG HB3 H 1.868 0.020 2 76 11 11 ARG HD2 H 3.178 0.020 2 77 11 11 ARG HD3 H 3.178 0.020 2 78 11 11 ARG HG2 H 2.321 0.020 2 79 11 11 ARG HG3 H 1.921 0.020 2 80 11 11 ARG C C 175.941 0.400 1 81 11 11 ARG CA C 56.076 0.400 1 82 11 11 ARG CB C 30.748 0.400 1 83 11 11 ARG CD C 43.408 0.400 1 84 11 11 ARG CG C 27.150 0.400 1 85 11 11 ARG N N 121.750 0.400 1 86 12 12 LEU H H 8.196 0.020 1 87 12 12 LEU HA H 4.620 0.020 1 88 12 12 LEU HB2 H 1.339 0.020 2 89 12 12 LEU HB3 H 1.452 0.020 2 90 12 12 LEU HD1 H 0.887 0.020 2 91 12 12 LEU HG H 1.629 0.020 1 92 12 12 LEU CA C 52.783 0.400 1 93 12 12 LEU CB C 41.591 0.400 1 94 12 12 LEU CD1 C 24.208 0.400 1 95 12 12 LEU N N 123.464 0.400 1 96 13 13 PRO HA H 4.505 0.020 1 97 13 13 PRO HB2 H 2.058 0.020 2 98 13 13 PRO HB3 H 2.248 0.020 2 99 13 13 PRO HD2 H 3.464 0.020 2 100 13 13 PRO HD3 H 3.784 0.020 2 101 13 13 PRO HG2 H 1.909 0.020 2 102 13 13 PRO HG3 H 2.317 0.020 2 103 13 13 PRO CA C 62.663 0.400 1 104 13 13 PRO CB C 31.900 0.400 1 105 13 13 PRO CD C 50.470 0.400 1 106 13 13 PRO CG C 27.320 0.400 1 107 14 14 HIS H H 8.925 0.020 1 108 14 14 HIS HA H 4.138 0.020 1 109 14 14 HIS HB2 H 3.055 0.020 2 110 14 14 HIS HB3 H 3.190 0.020 2 111 14 14 HIS HD2 H 7.306 0.020 1 112 14 14 HIS HE1 H 7.397 0.020 1 113 14 14 HIS C C 175.871 0.400 1 114 14 14 HIS CA C 59.233 0.400 1 115 14 14 HIS CB C 30.315 0.400 1 116 15 15 ASP H H 8.389 0.020 1 117 15 15 ASP HA H 4.558 0.020 1 118 15 15 ASP HB2 H 2.277 0.020 2 119 15 15 ASP HB3 H 2.717 0.020 2 120 15 15 ASP C C 175.015 0.400 1 121 15 15 ASP CA C 53.014 0.400 1 122 15 15 ASP CB C 41.184 0.400 1 123 15 15 ASP N N 113.238 0.400 1 124 16 16 ARG H H 7.181 0.020 1 125 16 16 ARG HA H 4.520 0.020 1 126 16 16 ARG HB2 H 1.589 0.020 2 127 16 16 ARG HB3 H 1.734 0.020 2 128 16 16 ARG HD2 H 3.121 0.020 2 129 16 16 ARG HD3 H 3.121 0.020 2 130 16 16 ARG HG2 H 1.382 0.020 2 131 16 16 ARG HG3 H 1.507 0.020 2 132 16 16 ARG C C 173.754 0.400 1 133 16 16 ARG CA C 54.860 0.400 1 134 16 16 ARG CB C 33.198 0.400 1 135 16 16 ARG CD C 43.380 0.400 1 136 16 16 ARG CG C 26.090 0.400 1 137 16 16 ARG N N 116.694 0.400 1 138 17 17 MET H H 8.487 0.020 1 139 17 17 MET HA H 4.513 0.020 1 140 17 17 MET HB2 H 2.010 0.020 2 141 17 17 MET HB3 H 1.598 0.020 2 142 17 17 MET HE H 0.679 0.020 1 143 17 17 MET HG2 H 2.267 0.020 2 144 17 17 MET HG3 H 2.415 0.020 2 145 17 17 MET C C 177.666 0.400 1 146 17 17 MET CA C 55.952 0.400 1 147 17 17 MET CB C 34.056 0.400 1 148 17 17 MET CG C 32.723 0.400 1 149 17 17 MET N N 119.539 0.400 1 150 18 18 THR H H 9.328 0.020 1 151 18 18 THR HA H 4.438 0.020 1 152 18 18 THR HB H 4.846 0.020 1 153 18 18 THR HG2 H 1.341 0.020 1 154 18 18 THR CA C 60.673 0.400 1 155 18 18 THR CB C 71.445 0.400 1 156 18 18 THR CG2 C 22.693 0.400 1 157 18 18 THR N N 114.776 0.400 1 158 19 19 SER HA H 4.157 0.020 1 159 19 19 SER HB2 H 3.923 0.020 2 160 19 19 SER HB3 H 4.152 0.020 2 161 19 19 SER C C 177.672 0.400 1 162 19 19 SER CB C 61.936 0.400 1 163 20 20 GLN H H 8.343 0.020 1 164 20 20 GLN HA H 4.173 0.020 1 165 20 20 GLN HB2 H 2.043 0.020 2 166 20 20 GLN HB3 H 2.134 0.020 2 167 20 20 GLN HG2 H 2.373 0.020 2 168 20 20 GLN HG3 H 2.417 0.020 2 169 20 20 GLN C C 178.769 0.400 1 170 20 20 GLN CA C 59.275 0.400 1 171 20 20 GLN CB C 28.992 0.400 1 172 20 20 GLN CG C 34.681 0.400 1 173 20 20 GLN N N 122.827 0.400 1 174 21 21 GLU H H 7.730 0.020 1 175 21 21 GLU HA H 3.483 0.020 1 176 21 21 GLU HB2 H 1.862 0.020 2 177 21 21 GLU HB3 H 1.862 0.020 2 178 21 21 GLU HG2 H 2.458 0.020 2 179 21 21 GLU HG3 H 2.292 0.020 2 180 21 21 GLU C C 178.632 0.400 1 181 21 21 GLU CA C 59.505 0.400 1 182 21 21 GLU CB C 29.373 0.400 1 183 21 21 GLU CG C 37.632 0.400 1 184 21 21 GLU N N 120.708 0.400 1 185 22 22 ALA H H 8.579 0.020 1 186 22 22 ALA HA H 3.589 0.020 1 187 22 22 ALA HB H 1.381 0.020 1 188 22 22 ALA C C 179.186 0.400 1 189 22 22 ALA CA C 55.260 0.400 1 190 22 22 ALA CB C 18.038 0.400 1 191 22 22 ALA N N 120.892 0.400 1 192 23 23 ALA H H 7.395 0.020 1 193 23 23 ALA HA H 4.064 0.020 1 194 23 23 ALA HB H 1.512 0.020 1 195 23 23 ALA C C 179.824 0.400 1 196 23 23 ALA CA C 54.270 0.400 1 197 23 23 ALA CB C 18.488 0.400 1 198 23 23 ALA N N 117.242 0.400 1 199 24 24 CYS H H 7.529 0.020 1 200 24 24 CYS HA H 4.213 0.020 1 201 24 24 CYS HB2 H 2.621 0.020 2 202 24 24 CYS HB3 H 2.621 0.020 2 203 24 24 CYS C C 173.617 0.400 1 204 24 24 CYS CA C 61.179 0.400 1 205 24 24 CYS CB C 28.735 0.400 1 206 24 24 CYS N N 114.312 0.400 1 207 25 25 PHE H H 8.014 0.020 1 208 25 25 PHE HA H 4.591 0.020 1 209 25 25 PHE HB2 H 2.413 0.020 2 210 25 25 PHE HB3 H 2.598 0.020 2 211 25 25 PHE HD1 H 7.182 0.020 1 212 25 25 PHE HD2 H 7.182 0.020 1 213 25 25 PHE HZ H 6.825 0.020 1 214 25 25 PHE CA C 55.523 0.400 1 215 25 25 PHE CB C 37.709 0.400 1 216 25 25 PHE N N 117.209 0.400 1 217 26 26 PRO HA H 4.376 0.020 1 218 26 26 PRO HB2 H 2.005 0.020 2 219 26 26 PRO HB3 H 2.218 0.020 2 220 26 26 PRO HD2 H 3.260 0.020 2 221 26 26 PRO HD3 H 3.387 0.020 2 222 26 26 PRO HG2 H 2.008 0.020 2 223 26 26 PRO HG3 H 2.008 0.020 2 224 26 26 PRO C C 178.114 0.400 1 225 26 26 PRO CA C 65.251 0.400 1 226 26 26 PRO CB C 30.976 0.400 1 227 26 26 PRO CD C 50.520 0.400 1 228 26 26 PRO CG C 27.343 0.400 1 229 27 27 ASP H H 9.765 0.020 1 230 27 27 ASP HA H 4.182 0.020 1 231 27 27 ASP HB2 H 2.513 0.020 2 232 27 27 ASP HB3 H 2.712 0.020 2 233 27 27 ASP C C 176.787 0.400 1 234 27 27 ASP CA C 54.775 0.400 1 235 27 27 ASP CB C 38.606 0.400 1 236 27 27 ASP N N 115.396 0.400 1 237 28 28 ILE H H 7.278 0.020 1 238 28 28 ILE HA H 3.927 0.020 1 239 28 28 ILE HB H 1.864 0.020 1 240 28 28 ILE HD1 H 0.712 0.020 1 241 28 28 ILE HG12 H 1.522 0.020 2 242 28 28 ILE HG13 H 1.257 0.020 2 243 28 28 ILE HG2 H 0.529 0.020 1 244 28 28 ILE C C 178.983 0.400 1 245 28 28 ILE CA C 60.850 0.400 1 246 28 28 ILE CB C 36.427 0.400 1 247 28 28 ILE CD1 C 10.441 0.400 1 248 28 28 ILE CG1 C 27.490 0.400 1 249 28 28 ILE CG2 C 17.783 0.400 1 250 28 28 ILE N N 119.284 0.400 1 251 29 29 ILE H H 7.365 0.020 1 252 29 29 ILE HA H 3.963 0.020 1 253 29 29 ILE HB H 1.685 0.020 1 254 29 29 ILE HD1 H 0.821 0.020 1 255 29 29 ILE HG12 H 1.383 0.020 2 256 29 29 ILE HG13 H 1.383 0.020 2 257 29 29 ILE HG2 H 1.026 0.020 1 258 29 29 ILE C C 175.378 0.400 1 259 29 29 ILE CA C 61.679 0.400 1 260 29 29 ILE CB C 37.978 0.400 1 261 29 29 ILE CD1 C 13.495 0.400 1 262 29 29 ILE CG1 C 28.787 0.400 1 263 29 29 ILE CG2 C 18.470 0.400 1 264 29 29 ILE N N 118.668 0.400 1 265 30 30 SER H H 7.138 0.020 1 266 30 30 SER HA H 4.503 0.020 1 267 30 30 SER HB2 H 3.881 0.020 2 268 30 30 SER HB3 H 3.979 0.020 2 269 30 30 SER C C 174.583 0.400 1 270 30 30 SER CA C 58.468 0.400 1 271 30 30 SER CB C 64.064 0.400 1 272 30 30 SER N N 112.153 0.400 1 273 31 31 GLY H H 7.182 0.020 1 274 31 31 GLY HA2 H 3.855 0.020 2 275 31 31 GLY HA3 H 4.477 0.020 2 276 31 31 GLY CA C 44.497 0.400 1 277 31 31 GLY N N 110.703 0.400 1 278 32 32 PRO HB2 H 2.103 0.020 2 279 32 32 PRO HB3 H 2.103 0.020 2 280 32 32 PRO HD2 H 3.725 0.020 2 281 32 32 PRO HD3 H 3.662 0.020 2 282 33 33 GLN HA H 3.905 0.020 1 283 33 33 GLN HB2 H 2.106 0.020 2 284 33 33 GLN HB3 H 2.172 0.020 2 285 33 33 GLN HG2 H 2.433 0.020 2 286 33 33 GLN HG3 H 2.493 0.020 2 287 33 33 GLN C C 178.542 0.400 1 288 33 33 GLN CA C 59.565 0.400 1 289 33 33 GLN CB C 28.414 0.400 1 290 33 33 GLN CG C 34.141 0.400 1 291 34 34 GLN H H 9.172 0.020 1 292 34 34 GLN HA H 4.076 0.020 1 293 34 34 GLN HB2 H 2.006 0.020 2 294 34 34 GLN HB3 H 2.180 0.020 2 295 34 34 GLN HE21 H 7.220 0.020 2 296 34 34 GLN HE22 H 7.220 0.020 2 297 34 34 GLN HG2 H 2.463 0.020 2 298 34 34 GLN HG3 H 2.463 0.020 2 299 34 34 GLN C C 177.966 0.400 1 300 34 34 GLN CA C 59.483 0.400 1 301 34 34 GLN CB C 27.795 0.400 1 302 34 34 GLN CG C 33.312 0.400 1 303 34 34 GLN N N 117.763 0.400 1 304 35 35 THR H H 7.244 0.020 1 305 35 35 THR HA H 4.097 0.020 1 306 35 35 THR HB H 4.303 0.020 1 307 35 35 THR HG2 H 1.374 0.020 1 308 35 35 THR C C 176.405 0.400 1 309 35 35 THR CA C 65.745 0.400 1 310 35 35 THR CB C 68.268 0.400 1 311 35 35 THR CG2 C 23.087 0.400 1 312 35 35 THR N N 114.668 0.400 1 313 36 36 GLN H H 7.436 0.020 1 314 36 36 GLN HA H 3.821 0.020 1 315 36 36 GLN HB2 H 2.040 0.020 2 316 36 36 GLN HB3 H 1.975 0.020 2 317 36 36 GLN HG2 H 2.187 0.020 2 318 36 36 GLN HG3 H 2.299 0.020 2 319 36 36 GLN C C 177.817 0.400 1 320 36 36 GLN CA C 59.884 0.400 1 321 36 36 GLN CB C 27.451 0.400 1 322 36 36 GLN CG C 34.852 0.400 1 323 36 36 GLN N N 121.934 0.400 1 324 37 37 LYS H H 8.035 0.020 1 325 37 37 LYS HA H 4.041 0.020 1 326 37 37 LYS HB2 H 2.013 0.020 2 327 37 37 LYS HB3 H 2.063 0.020 2 328 37 37 LYS HD2 H 1.707 0.020 2 329 37 37 LYS HD3 H 1.707 0.020 2 330 37 37 LYS HE2 H 2.997 0.020 2 331 37 37 LYS HE3 H 2.997 0.020 2 332 37 37 LYS HG2 H 1.489 0.020 2 333 37 37 LYS HG3 H 1.678 0.020 2 334 37 37 LYS C C 179.959 0.400 1 335 37 37 LYS CA C 59.956 0.400 1 336 37 37 LYS CB C 32.026 0.400 1 337 37 37 LYS CD C 29.329 0.400 1 338 37 37 LYS CE C 42.220 0.400 1 339 37 37 LYS CG C 25.540 0.400 1 340 37 37 LYS N N 117.582 0.400 1 341 38 38 VAL H H 7.787 0.020 1 342 38 38 VAL HA H 3.882 0.020 1 343 38 38 VAL HB H 2.399 0.020 1 344 38 38 VAL HG1 H 1.185 0.020 2 345 38 38 VAL HG2 H 1.233 0.020 2 346 38 38 VAL C C 177.051 0.400 1 347 38 38 VAL CA C 67.399 0.400 1 348 38 38 VAL CB C 31.935 0.400 1 349 38 38 VAL CG1 C 22.793 0.400 1 350 38 38 VAL CG2 C 22.047 0.400 1 351 38 38 VAL N N 121.778 0.400 1 352 39 39 PHE H H 8.220 0.020 1 353 39 39 PHE HA H 3.657 0.020 1 354 39 39 PHE HB2 H 2.829 0.020 2 355 39 39 PHE HB3 H 3.395 0.020 2 356 39 39 PHE HD1 H 6.546 0.020 1 357 39 39 PHE HD2 H 6.546 0.020 1 358 39 39 PHE C C 176.066 0.400 1 359 39 39 PHE CA C 62.825 0.400 1 360 39 39 PHE CB C 39.519 0.400 1 361 39 39 PHE N N 119.360 0.400 1 362 40 40 LEU H H 8.480 0.020 1 363 40 40 LEU HA H 3.617 0.020 1 364 40 40 LEU HB2 H 1.267 0.020 2 365 40 40 LEU HB3 H 1.861 0.020 2 366 40 40 LEU HD1 H 0.676 0.020 2 367 40 40 LEU HD2 H 0.676 0.020 2 368 40 40 LEU HG H 1.845 0.020 1 369 40 40 LEU C C 177.588 0.400 1 370 40 40 LEU CA C 57.860 0.400 1 371 40 40 LEU CB C 41.750 0.400 1 372 40 40 LEU CD1 C 25.726 0.400 1 373 40 40 LEU CD2 C 22.151 0.400 1 374 40 40 LEU CG C 25.732 0.400 1 375 40 40 LEU N N 118.540 0.400 1 376 41 41 PHE H H 8.131 0.020 1 377 41 41 PHE HA H 3.856 0.020 1 378 41 41 PHE HB2 H 2.822 0.020 2 379 41 41 PHE HB3 H 2.822 0.020 2 380 41 41 PHE HD1 H 6.526 0.020 1 381 41 41 PHE HD2 H 6.526 0.020 1 382 41 41 PHE C C 178.598 0.400 1 383 41 41 PHE CA C 62.090 0.400 1 384 41 41 PHE CB C 39.644 0.400 1 385 41 41 PHE N N 119.956 0.400 1 386 42 42 ILE H H 8.355 0.020 1 387 42 42 ILE HA H 3.354 0.020 1 388 42 42 ILE HB H 1.705 0.020 1 389 42 42 ILE HD1 H 0.999 0.020 1 390 42 42 ILE HG12 H 2.248 0.020 2 391 42 42 ILE HG13 H 2.248 0.020 2 392 42 42 ILE HG2 H 0.836 0.020 1 393 42 42 ILE C C 179.018 0.400 1 394 42 42 ILE CA C 65.942 0.400 1 395 42 42 ILE CB C 38.843 0.400 1 396 42 42 ILE CD1 C 15.850 0.400 1 397 42 42 ILE CG1 C 29.293 0.400 1 398 42 42 ILE CG2 C 18.089 0.400 1 399 42 42 ILE N N 118.158 0.400 1 400 43 43 ARG H H 8.885 0.020 1 401 43 43 ARG HA H 3.426 0.020 1 402 43 43 ARG HB2 H 1.203 0.020 2 403 43 43 ARG HB3 H 1.330 0.020 2 404 43 43 ARG HG2 H 1.317 0.020 2 405 43 43 ARG HG3 H 1.317 0.020 2 406 43 43 ARG C C 176.692 0.400 1 407 43 43 ARG CA C 61.072 0.400 1 408 43 43 ARG CB C 30.286 0.400 1 409 43 43 ARG CG C 24.595 0.400 1 410 43 43 ARG N N 123.742 0.400 1 411 44 44 ASN H H 8.874 0.020 1 412 44 44 ASN HA H 4.300 0.020 1 413 44 44 ASN HB2 H 2.476 0.020 2 414 44 44 ASN HB3 H 2.622 0.020 2 415 44 44 ASN HD21 H 7.357 0.020 2 416 44 44 ASN HD22 H 7.256 0.020 2 417 44 44 ASN CA C 55.811 0.400 1 418 44 44 ASN CB C 37.239 0.400 1 419 44 44 ASN N N 117.420 0.400 1 420 45 45 ARG H H 8.479 0.020 1 421 45 45 ARG HA H 3.949 0.020 1 422 45 45 ARG HB2 H 1.368 0.020 2 423 45 45 ARG HB3 H 1.617 0.020 2 424 45 45 ARG HD2 H 2.986 0.020 2 425 45 45 ARG HD3 H 3.299 0.020 2 426 45 45 ARG HG2 H 1.284 0.020 2 427 45 45 ARG HG3 H 1.396 0.020 2 428 45 45 ARG C C 177.481 0.400 1 429 45 45 ARG CA C 57.467 0.400 1 430 45 45 ARG CB C 29.107 0.400 1 431 45 45 ARG CD C 42.036 0.400 1 432 45 45 ARG CG C 26.538 0.400 1 433 45 45 ARG N N 121.483 0.400 1 434 46 46 THR H H 8.197 0.020 1 435 46 46 THR HA H 3.923 0.020 1 436 46 46 THR HB H 4.433 0.020 1 437 46 46 THR HG2 H 1.445 0.020 1 438 46 46 THR C C 175.766 0.400 1 439 46 46 THR CA C 65.821 0.400 1 440 46 46 THR CB C 67.970 0.400 1 441 46 46 THR CG2 C 22.751 0.400 1 442 46 46 THR N N 116.552 0.400 1 443 47 47 LEU H H 7.701 0.020 1 444 47 47 LEU HA H 3.997 0.020 1 445 47 47 LEU HB2 H 1.599 0.020 2 446 47 47 LEU HB3 H 1.775 0.020 2 447 47 47 LEU HD1 H 0.914 0.020 2 448 47 47 LEU HD2 H 0.946 0.020 2 449 47 47 LEU HG H 1.731 0.020 1 450 47 47 LEU C C 178.343 0.400 1 451 47 47 LEU CA C 58.386 0.400 1 452 47 47 LEU CB C 42.290 0.400 1 453 47 47 LEU CD1 C 25.157 0.400 1 454 47 47 LEU CD2 C 26.212 0.400 1 455 47 47 LEU CG C 26.394 0.400 1 456 47 47 LEU N N 118.532 0.400 1 457 48 48 GLN H H 7.859 0.020 1 458 48 48 GLN HA H 3.830 0.020 1 459 48 48 GLN HB2 H 2.141 0.020 2 460 48 48 GLN HB3 H 2.221 0.020 2 461 48 48 GLN HE21 H 7.161 0.020 2 462 48 48 GLN HE22 H 7.069 0.020 2 463 48 48 GLN HG2 H 2.275 0.020 2 464 48 48 GLN HG3 H 2.417 0.020 2 465 48 48 GLN C C 177.583 0.400 1 466 48 48 GLN CA C 59.025 0.400 1 467 48 48 GLN CB C 28.543 0.400 1 468 48 48 GLN CG C 33.458 0.400 1 469 48 48 GLN N N 118.333 0.400 1 470 49 49 LEU H H 8.191 0.020 1 471 49 49 LEU HA H 4.021 0.020 1 472 49 49 LEU HB2 H 2.239 0.020 2 473 49 49 LEU HB3 H 1.396 0.020 2 474 49 49 LEU HD1 H 0.902 0.020 2 475 49 49 LEU HD2 H 0.841 0.020 2 476 49 49 LEU HG H 1.966 0.020 1 477 49 49 LEU C C 180.128 0.400 1 478 49 49 LEU CA C 57.917 0.400 1 479 49 49 LEU CB C 42.741 0.400 1 480 49 49 LEU CD1 C 26.921 0.400 1 481 49 49 LEU N N 118.691 0.400 1 482 50 50 TRP H H 7.627 0.020 1 483 50 50 TRP HA H 4.678 0.020 1 484 50 50 TRP HB2 H 3.219 0.020 2 485 50 50 TRP HB3 H 3.460 0.020 2 486 50 50 TRP HD1 H 7.149 0.020 1 487 50 50 TRP HE1 H 9.423 0.020 1 488 50 50 TRP HE3 H 7.461 0.020 1 489 50 50 TRP HH2 H 6.672 0.020 1 490 50 50 TRP HZ2 H 7.310 0.020 1 491 50 50 TRP C C 176.385 0.400 1 492 50 50 TRP CA C 59.009 0.400 1 493 50 50 TRP CB C 30.284 0.400 1 494 50 50 TRP N N 120.266 0.400 1 495 50 50 TRP NE1 N 128.162 0.400 1 496 51 51 LEU H H 8.520 0.020 1 497 51 51 LEU HA H 3.494 0.020 1 498 51 51 LEU HB2 H 1.366 0.020 2 499 51 51 LEU HB3 H 1.860 0.020 2 500 51 51 LEU HD1 H 0.956 0.020 2 501 51 51 LEU HD2 H 0.894 0.020 2 502 51 51 LEU HG H 2.035 0.020 1 503 51 51 LEU C C 180.032 0.400 1 504 51 51 LEU CA C 57.118 0.400 1 505 51 51 LEU CB C 41.561 0.400 1 506 51 51 LEU CD2 C 25.810 0.400 1 507 51 51 LEU N N 116.751 0.400 1 508 52 52 ASP H H 8.161 0.020 1 509 52 52 ASP HA H 4.359 0.020 1 510 52 52 ASP HB2 H 2.559 0.020 2 511 52 52 ASP HB3 H 2.753 0.020 2 512 52 52 ASP C C 177.515 0.400 1 513 52 52 ASP CA C 56.131 0.400 1 514 52 52 ASP CB C 41.144 0.400 1 515 52 52 ASP N N 117.446 0.400 1 516 53 53 ASN H H 7.231 0.020 1 517 53 53 ASN HA H 4.707 0.020 1 518 53 53 ASN HB2 H 2.644 0.020 2 519 53 53 ASN HB3 H 2.904 0.020 2 520 53 53 ASN CA C 51.823 0.400 1 521 53 53 ASN CB C 38.332 0.400 1 522 53 53 ASN N N 113.244 0.400 1 523 54 54 PRO HD2 H 3.278 0.020 2 524 54 54 PRO HD3 H 3.278 0.020 2 525 54 54 PRO C C 175.418 0.400 1 526 54 54 PRO CA C 63.253 0.400 1 527 54 54 PRO CB C 30.031 0.400 1 528 54 54 PRO CG C 26.524 0.400 1 529 55 55 LYS H H 7.075 0.020 1 530 55 55 LYS HA H 4.349 0.020 1 531 55 55 LYS HB2 H 1.729 0.020 2 532 55 55 LYS HB3 H 1.947 0.020 2 533 55 55 LYS HD2 H 1.629 0.020 2 534 55 55 LYS HD3 H 1.629 0.020 2 535 55 55 LYS HE2 H 2.855 0.020 2 536 55 55 LYS HE3 H 2.855 0.020 2 537 55 55 LYS HG2 H 1.269 0.020 2 538 55 55 LYS HG3 H 1.332 0.020 2 539 55 55 LYS HZ H 7.636 0.020 1 540 55 55 LYS C C 176.471 0.400 1 541 55 55 LYS CA C 55.856 0.400 1 542 55 55 LYS CB C 32.690 0.400 1 543 55 55 LYS CD C 28.795 0.400 1 544 55 55 LYS CE C 42.173 0.400 1 545 55 55 LYS CG C 25.079 0.400 1 546 55 55 LYS N N 114.547 0.400 1 547 56 56 ILE H H 7.302 0.020 1 548 56 56 ILE HA H 4.652 0.020 1 549 56 56 ILE HB H 1.804 0.020 1 550 56 56 ILE HD1 H 0.853 0.020 1 551 56 56 ILE HG12 H 1.102 0.020 2 552 56 56 ILE HG13 H 1.423 0.020 2 553 56 56 ILE HG2 H 0.897 0.020 1 554 56 56 ILE C C 173.299 0.400 1 555 56 56 ILE CA C 58.911 0.400 1 556 56 56 ILE CB C 41.896 0.400 1 557 56 56 ILE CD1 C 13.295 0.400 1 558 56 56 ILE CG1 C 26.620 0.400 1 559 56 56 ILE CG2 C 17.371 0.400 1 560 56 56 ILE N N 117.179 0.400 1 561 57 57 GLN H H 8.380 0.020 1 562 57 57 GLN HA H 3.873 0.020 1 563 57 57 GLN HB2 H 2.077 0.020 2 564 57 57 GLN HE21 H 6.873 0.020 2 565 57 57 GLN HE22 H 6.873 0.020 2 566 57 57 GLN C C 175.228 0.400 1 567 57 57 GLN CA C 56.773 0.400 1 568 57 57 GLN CB C 29.422 0.400 1 569 57 57 GLN CG C 32.998 0.400 1 570 57 57 GLN N N 123.274 0.400 1 571 58 58 LEU H H 10.327 0.020 1 572 58 58 LEU HA H 4.823 0.020 1 573 58 58 LEU HB2 H 2.147 0.020 2 574 58 58 LEU HB3 H 2.049 0.020 2 575 58 58 LEU HD1 H 0.986 0.020 2 576 58 58 LEU HD2 H 0.986 0.020 2 577 58 58 LEU HG H 1.163 0.020 1 578 58 58 LEU C C 177.910 0.400 1 579 58 58 LEU CA C 53.852 0.400 1 580 58 58 LEU CB C 41.379 0.400 1 581 58 58 LEU N N 131.678 0.400 1 582 59 59 THR H H 8.413 0.020 1 583 59 59 THR HA H 4.648 0.020 1 584 59 59 THR HB H 4.788 0.020 1 585 59 59 THR HG2 H 1.279 0.020 1 586 59 59 THR C C 176.131 0.400 1 587 59 59 THR CA C 61.039 0.400 1 588 59 59 THR CB C 71.276 0.400 1 589 59 59 THR CG2 C 22.057 0.400 1 590 59 59 THR N N 121.110 0.400 1 591 60 60 PHE H H 9.239 0.020 1 592 60 60 PHE HA H 3.394 0.020 1 593 60 60 PHE HB2 H 2.530 0.020 2 594 60 60 PHE HB3 H 2.714 0.020 2 595 60 60 PHE HD1 H 6.811 0.020 1 596 60 60 PHE HD2 H 6.811 0.020 1 597 60 60 PHE C C 175.862 0.400 1 598 60 60 PHE CA C 60.077 0.400 1 599 60 60 PHE CB C 38.467 0.400 1 600 60 60 PHE N N 125.722 0.400 1 601 61 61 GLU H H 9.210 0.020 1 602 61 61 GLU HA H 3.166 0.020 1 603 61 61 GLU HB2 H 1.738 0.020 2 604 61 61 GLU HB3 H 1.921 0.020 2 605 61 61 GLU HG2 H 2.099 0.020 2 606 61 61 GLU HG3 H 2.425 0.020 2 607 61 61 GLU C C 178.877 0.400 1 608 61 61 GLU CA C 61.113 0.400 1 609 61 61 GLU CB C 28.333 0.400 1 610 61 61 GLU CG C 37.547 0.400 1 611 61 61 GLU N N 119.213 0.400 1 612 62 62 ALA H H 7.883 0.020 1 613 62 62 ALA HA H 4.001 0.020 1 614 62 62 ALA HB H 1.403 0.020 1 615 62 62 ALA C C 180.359 0.400 1 616 62 62 ALA CA C 54.711 0.400 1 617 62 62 ALA CB C 19.056 0.400 1 618 62 62 ALA N N 121.168 0.400 1 619 63 63 THR H H 7.551 0.020 1 620 63 63 THR HA H 4.188 0.020 1 621 63 63 THR HB H 3.546 0.020 1 622 63 63 THR HG1 H 5.715 0.020 1 623 63 63 THR HG2 H 1.104 0.020 1 624 63 63 THR C C 175.978 0.400 1 625 63 63 THR CB C 67.780 0.400 1 626 63 63 THR CG2 C 21.426 0.400 1 627 63 63 THR N N 116.716 0.400 1 628 64 64 LEU H H 7.896 0.020 1 629 64 64 LEU HA H 3.737 0.020 1 630 64 64 LEU HB2 H 0.988 0.020 2 631 64 64 LEU HB3 H 1.415 0.020 2 632 64 64 LEU HD1 H 0.813 0.020 2 633 64 64 LEU HG H 1.399 0.020 1 634 64 64 LEU C C 179.284 0.400 1 635 64 64 LEU CA C 58.005 0.400 1 636 64 64 LEU CB C 41.886 0.400 1 637 64 64 LEU CD1 C 24.950 0.400 1 638 64 64 LEU CD2 C 24.804 0.400 1 639 64 64 LEU N N 119.382 0.400 1 640 65 65 GLN H H 7.421 0.020 1 641 65 65 GLN HA H 3.983 0.020 1 642 65 65 GLN HB2 H 2.085 0.020 2 643 65 65 GLN HB3 H 2.085 0.020 2 644 65 65 GLN HE21 H 7.383 0.020 2 645 65 65 GLN HE22 H 7.457 0.020 2 646 65 65 GLN HG2 H 2.397 0.020 2 647 65 65 GLN HG3 H 2.445 0.020 2 648 65 65 GLN C C 176.966 0.400 1 649 65 65 GLN CA C 57.754 0.400 1 650 65 65 GLN CB C 28.924 0.400 1 651 65 65 GLN CG C 33.953 0.400 1 652 65 65 GLN N N 113.757 0.400 1 653 66 66 GLN H H 7.330 0.020 1 654 66 66 GLN HA H 4.362 0.020 1 655 66 66 GLN HB2 H 1.895 0.020 2 656 66 66 GLN HB3 H 1.895 0.020 2 657 66 66 GLN HE21 H 7.051 0.020 2 658 66 66 GLN HE22 H 7.051 0.020 2 659 66 66 GLN HG2 H 2.235 0.020 2 660 66 66 GLN HG3 H 2.490 0.020 2 661 66 66 GLN C C 175.019 0.400 1 662 66 66 GLN CA C 55.602 0.400 1 663 66 66 GLN CB C 30.846 0.400 1 664 66 66 GLN CG C 34.980 0.400 1 665 66 66 GLN N N 115.533 0.400 1 666 67 67 LEU H H 7.319 0.020 1 667 67 67 LEU HA H 4.521 0.020 1 668 67 67 LEU HB2 H 1.338 0.020 2 669 67 67 LEU HB3 H 1.809 0.020 2 670 67 67 LEU HD1 H 0.909 0.020 2 671 67 67 LEU HG H 1.928 0.020 1 672 67 67 LEU C C 175.083 0.400 1 673 67 67 LEU CA C 54.431 0.400 1 674 67 67 LEU CB C 44.461 0.400 1 675 67 67 LEU CD1 C 27.858 0.400 1 676 67 67 LEU CG C 26.669 0.400 1 677 67 67 LEU N N 121.962 0.400 1 678 68 68 GLU H H 9.091 0.020 1 679 68 68 GLU HA H 4.314 0.020 1 680 68 68 GLU HB2 H 2.121 0.020 2 681 68 68 GLU HB3 H 2.167 0.020 2 682 68 68 GLU HG2 H 2.380 0.020 2 683 68 68 GLU HG3 H 2.450 0.020 2 684 68 68 GLU C C 175.991 0.400 1 685 68 68 GLU CA C 55.487 0.400 1 686 68 68 GLU CB C 31.229 0.400 1 687 68 68 GLU CG C 36.634 0.400 1 688 68 68 GLU N N 122.807 0.400 1 689 69 69 ALA H H 8.468 0.020 1 690 69 69 ALA HA H 4.211 0.020 1 691 69 69 ALA HB H 1.302 0.020 1 692 69 69 ALA CA C 51.626 0.400 1 693 69 69 ALA CB C 17.350 0.400 1 694 69 69 ALA N N 124.280 0.400 1 695 70 70 PRO HA H 4.524 0.020 1 696 70 70 PRO HB2 H 1.995 0.020 2 697 70 70 PRO HB3 H 2.125 0.020 2 698 70 70 PRO HD2 H 2.647 0.020 2 699 70 70 PRO HD3 H 3.129 0.020 2 700 70 70 PRO HG2 H 1.598 0.020 2 701 70 70 PRO HG3 H 1.598 0.020 2 702 70 70 PRO C C 176.687 0.400 1 703 70 70 PRO CA C 63.726 0.400 1 704 70 70 PRO CB C 33.686 0.400 1 705 70 70 PRO CD C 49.550 0.400 1 706 70 70 PRO CG C 23.521 0.400 1 707 71 71 TYR H H 8.023 0.020 1 708 71 71 TYR HA H 4.076 0.020 1 709 71 71 TYR HB2 H 2.977 0.020 2 710 71 71 TYR HB3 H 3.134 0.020 2 711 71 71 TYR HD1 H 6.814 0.020 1 712 71 71 TYR HD2 H 6.814 0.020 1 713 71 71 TYR HE1 H 6.324 0.020 1 714 71 71 TYR HE2 H 6.324 0.020 1 715 71 71 TYR C C 174.329 0.400 1 716 71 71 TYR CA C 60.785 0.400 1 717 71 71 TYR CB C 37.479 0.400 1 718 71 71 TYR N N 126.954 0.400 1 719 72 72 ASN H H 7.647 0.020 1 720 72 72 ASN HA H 4.212 0.020 1 721 72 72 ASN HB2 H 2.623 0.020 2 722 72 72 ASN HB3 H 3.065 0.020 2 723 72 72 ASN HD21 H 7.611 0.020 2 724 72 72 ASN HD22 H 7.696 0.020 2 725 72 72 ASN C C 175.818 0.400 1 726 72 72 ASN CA C 52.021 0.400 1 727 72 72 ASN CB C 37.346 0.400 1 728 72 72 ASN N N 112.855 0.400 1 729 73 73 SER H H 7.473 0.020 1 730 73 73 SER HA H 4.086 0.020 1 731 73 73 SER HB2 H 3.914 0.020 2 732 73 73 SER HB3 H 3.914 0.020 2 733 73 73 SER C C 174.539 0.400 1 734 73 73 SER CA C 61.204 0.400 1 735 73 73 SER CB C 63.877 0.400 1 736 73 73 SER N N 113.425 0.400 1 737 74 74 ASP H H 8.131 0.020 1 738 74 74 ASP HA H 5.019 0.020 1 739 74 74 ASP HB2 H 2.474 0.020 2 740 74 74 ASP HB3 H 3.106 0.020 2 741 74 74 ASP C C 176.871 0.400 1 742 74 74 ASP CA C 52.014 0.400 1 743 74 74 ASP CB C 40.123 0.400 1 744 74 74 ASP N N 121.466 0.400 1 745 75 75 THR H H 8.370 0.020 1 746 75 75 THR HA H 3.808 0.020 1 747 75 75 THR HB H 4.448 0.020 1 748 75 75 THR HG2 H 1.446 0.020 1 749 75 75 THR C C 176.678 0.400 1 750 75 75 THR CA C 65.986 0.400 1 751 75 75 THR CB C 68.270 0.400 1 752 75 75 THR CG2 C 22.944 0.400 1 753 75 75 THR N N 115.974 0.400 1 754 76 76 VAL H H 7.968 0.020 1 755 76 76 VAL HA H 3.771 0.020 1 756 76 76 VAL HB H 2.266 0.020 1 757 76 76 VAL HG1 H 1.046 0.020 2 758 76 76 VAL HG2 H 0.953 0.020 2 759 76 76 VAL C C 178.610 0.400 1 760 76 76 VAL CA C 66.342 0.400 1 761 76 76 VAL CB C 31.281 0.400 1 762 76 76 VAL CG1 C 22.723 0.400 1 763 76 76 VAL CG2 C 21.045 0.400 1 764 76 76 VAL N N 124.048 0.400 1 765 77 77 LEU H H 7.791 0.020 1 766 77 77 LEU HA H 4.217 0.020 1 767 77 77 LEU HB2 H 1.651 0.020 2 768 77 77 LEU HB3 H 1.881 0.020 2 769 77 77 LEU HD1 H 1.018 0.020 2 770 77 77 LEU HD2 H 1.135 0.020 2 771 77 77 LEU HG H 1.559 0.020 1 772 77 77 LEU C C 178.998 0.400 1 773 77 77 LEU CA C 58.381 0.400 1 774 77 77 LEU CB C 40.865 0.400 1 775 77 77 LEU CD1 C 26.444 0.400 1 776 77 77 LEU CD2 C 23.011 0.400 1 777 77 77 LEU CG C 27.598 0.400 1 778 77 77 LEU N N 122.284 0.400 1 779 78 78 VAL H H 7.921 0.020 1 780 78 78 VAL HA H 3.834 0.020 1 781 78 78 VAL HB H 2.355 0.020 1 782 78 78 VAL HG1 H 0.970 0.020 2 783 78 78 VAL HG2 H 1.129 0.020 2 784 78 78 VAL C C 177.508 0.400 1 785 78 78 VAL CA C 67.533 0.400 1 786 78 78 VAL CB C 31.548 0.400 1 787 78 78 VAL CG1 C 21.791 0.400 1 788 78 78 VAL CG2 C 22.960 0.400 1 789 78 78 VAL N N 115.704 0.400 1 790 79 79 HIS H H 8.456 0.020 1 791 79 79 HIS HA H 3.975 0.020 1 792 79 79 HIS HB2 H 2.788 0.020 2 793 79 79 HIS HB3 H 3.257 0.020 2 794 79 79 HIS HD2 H 7.203 0.020 1 795 79 79 HIS HE1 H 6.823 0.020 1 796 79 79 HIS C C 178.219 0.400 1 797 79 79 HIS CA C 59.833 0.400 1 798 79 79 HIS CB C 29.159 0.400 1 799 79 79 HIS N N 119.990 0.400 1 800 80 80 ARG H H 9.020 0.020 1 801 80 80 ARG HA H 4.184 0.020 1 802 80 80 ARG HB2 H 2.441 0.020 2 803 80 80 ARG HB3 H 2.288 0.020 2 804 80 80 ARG HD2 H 3.122 0.020 2 805 80 80 ARG HD3 H 3.374 0.020 2 806 80 80 ARG HG2 H 2.321 0.020 2 807 80 80 ARG HG3 H 1.757 0.020 2 808 80 80 ARG C C 180.914 0.400 1 809 80 80 ARG CA C 60.079 0.400 1 810 80 80 ARG CB C 32.982 0.400 1 811 80 80 ARG CD C 45.040 0.400 1 812 80 80 ARG CG C 27.112 0.400 1 813 80 80 ARG N N 119.670 0.400 1 814 81 81 VAL H H 8.798 0.020 1 815 81 81 VAL HA H 3.836 0.020 1 816 81 81 VAL HB H 2.131 0.020 1 817 81 81 VAL HG1 H 0.772 0.020 2 818 81 81 VAL HG2 H 0.583 0.020 2 819 81 81 VAL C C 176.654 0.400 1 820 81 81 VAL CA C 67.948 0.400 1 821 81 81 VAL CB C 31.711 0.400 1 822 81 81 VAL CG1 C 23.258 0.400 1 823 81 81 VAL CG2 C 21.108 0.400 1 824 81 81 VAL N N 121.966 0.400 1 825 82 82 HIS H H 8.820 0.020 1 826 82 82 HIS HA H 3.793 0.020 1 827 82 82 HIS HB2 H 3.293 0.020 2 828 82 82 HIS HB3 H 3.325 0.020 2 829 82 82 HIS HD2 H 6.830 0.020 1 830 82 82 HIS HE1 H 7.184 0.020 1 831 82 82 HIS C C 176.736 0.400 1 832 82 82 HIS CA C 63.329 0.400 1 833 82 82 HIS CB C 31.741 0.400 1 834 82 82 HIS N N 121.426 0.400 1 835 83 83 SER H H 8.812 0.020 1 836 83 83 SER HA H 4.318 0.020 1 837 83 83 SER HB2 H 3.948 0.020 2 838 83 83 SER HB3 H 4.022 0.020 2 839 83 83 SER C C 177.038 0.400 1 840 83 83 SER CA C 61.655 0.400 1 841 83 83 SER CB C 63.521 0.400 1 842 83 83 SER N N 111.642 0.400 1 843 84 84 TYR H H 8.192 0.020 1 844 84 84 TYR HA H 4.434 0.020 1 845 84 84 TYR HB2 H 3.646 0.020 2 846 84 84 TYR HB3 H 3.646 0.020 2 847 84 84 TYR HD1 H 7.173 0.020 1 848 84 84 TYR HD2 H 7.173 0.020 1 849 84 84 TYR CA C 61.600 0.400 1 850 84 84 TYR CB C 38.366 0.400 1 851 84 84 TYR N N 122.862 0.400 1 852 85 85 LEU H H 8.487 0.020 1 853 85 85 LEU HA H 3.628 0.020 1 854 85 85 LEU HB2 H 2.131 0.020 2 855 85 85 LEU HB3 H 2.131 0.020 2 856 85 85 LEU HD1 H 0.837 0.020 2 857 85 85 LEU HD2 H 0.837 0.020 2 858 85 85 LEU HG H 1.854 0.020 1 859 85 85 LEU C C 179.036 0.400 1 860 85 85 LEU CA C 57.868 0.400 1 861 85 85 LEU CB C 41.842 0.400 1 862 85 85 LEU N N 121.305 0.400 1 863 86 86 GLU H H 8.239 0.020 1 864 86 86 GLU HA H 3.830 0.020 1 865 86 86 GLU HB2 H 1.794 0.020 2 866 86 86 GLU HB3 H 1.935 0.020 2 867 86 86 GLU HG2 H 2.041 0.020 2 868 86 86 GLU HG3 H 2.041 0.020 2 869 86 86 GLU C C 180.394 0.400 1 870 86 86 GLU CA C 59.782 0.400 1 871 86 86 GLU CB C 30.452 0.400 1 872 86 86 GLU CG C 37.780 0.400 1 873 86 86 GLU N N 119.584 0.400 1 874 87 87 ARG H H 8.878 0.020 1 875 87 87 ARG HA H 4.013 0.020 1 876 87 87 ARG HB2 H 1.704 0.020 2 877 87 87 ARG HB3 H 1.902 0.020 2 878 87 87 ARG HD2 H 3.119 0.020 2 879 87 87 ARG HD3 H 3.119 0.020 2 880 87 87 ARG HG2 H 1.477 0.020 2 881 87 87 ARG HG3 H 1.477 0.020 2 882 87 87 ARG CA C 58.906 0.400 1 883 87 87 ARG CB C 29.814 0.400 1 884 87 87 ARG CD C 43.296 0.400 1 885 87 87 ARG N N 121.187 0.400 1 886 88 88 HIS H H 7.472 0.020 1 887 88 88 HIS HA H 4.407 0.020 1 888 88 88 HIS HB2 H 2.364 0.020 2 889 88 88 HIS HB3 H 3.348 0.020 2 890 88 88 HIS HD2 H 6.554 0.020 1 891 88 88 HIS C C 174.400 0.400 1 892 88 88 HIS CA C 57.068 0.400 1 893 88 88 HIS CB C 28.126 0.400 1 894 89 89 GLY H H 7.606 0.020 1 895 89 89 GLY HA2 H 3.732 0.020 2 896 89 89 GLY HA3 H 3.864 0.020 2 897 89 89 GLY C C 173.547 0.400 1 898 89 89 GLY CA C 46.652 0.400 1 899 89 89 GLY N N 107.425 0.400 1 900 90 90 LEU H H 8.126 0.020 1 901 90 90 LEU HA H 4.166 0.020 1 902 90 90 LEU HB2 H 1.444 0.020 2 903 90 90 LEU HB3 H 1.584 0.020 2 904 90 90 LEU HD1 H 0.851 0.020 2 905 90 90 LEU HD2 H 0.851 0.020 2 906 90 90 LEU HG H 1.626 0.020 1 907 90 90 LEU C C 176.052 0.400 1 908 90 90 LEU CA C 56.109 0.400 1 909 90 90 LEU CB C 43.434 0.400 1 910 90 90 LEU CD1 C 23.685 0.400 1 911 90 90 LEU CG C 27.241 0.400 1 912 90 90 LEU N N 117.527 0.400 1 913 91 91 ILE H H 6.558 0.020 1 914 91 91 ILE HA H 3.839 0.020 1 915 91 91 ILE CA C 57.964 0.400 1 916 91 91 ILE CB C 42.121 0.400 1 917 91 91 ILE N N 104.299 0.400 1 918 92 92 ASN H H 6.440 0.020 1 919 92 92 ASN HA H 3.326 0.020 1 920 92 92 ASN HB2 H 2.576 0.020 2 921 92 92 ASN HB3 H 2.576 0.020 2 922 92 92 ASN C C 172.274 0.400 1 923 92 92 ASN CA C 54.320 0.400 1 924 92 92 ASN CB C 35.785 0.400 1 925 93 93 PHE H H 6.326 0.020 1 926 93 93 PHE HA H 4.905 0.020 1 927 93 93 PHE HB2 H 2.641 0.020 2 928 93 93 PHE HB3 H 3.059 0.020 2 929 93 93 PHE HD1 H 6.657 0.020 1 930 93 93 PHE HD2 H 6.657 0.020 1 931 93 93 PHE HE1 H 6.791 0.020 1 932 93 93 PHE HE2 H 6.791 0.020 1 933 93 93 PHE C C 175.043 0.400 1 934 93 93 PHE CA C 55.890 0.400 1 935 93 93 PHE CB C 41.491 0.400 1 936 93 93 PHE N N 115.493 0.400 1 937 94 94 GLY H H 8.736 0.020 1 938 94 94 GLY HA2 H 3.736 0.020 2 939 94 94 GLY HA3 H 4.050 0.020 2 940 94 94 GLY CA C 45.572 0.400 1 941 94 94 GLY N N 110.726 0.400 1 942 95 95 ILE H H 8.119 0.020 1 943 95 95 ILE HA H 4.170 0.020 1 944 95 95 ILE HB H 1.810 0.020 1 945 95 95 ILE HG12 H 1.347 0.020 2 946 95 95 ILE HG2 H 0.868 0.020 1 947 95 95 ILE C C 175.175 0.400 1 948 95 95 ILE CB C 38.852 0.400 1 949 96 96 TYR H H 7.808 0.020 1 950 96 96 TYR HA H 4.367 0.020 1 951 96 96 TYR HB2 H 2.622 0.020 2 952 96 96 TYR HB3 H 3.071 0.020 2 953 96 96 TYR HD1 H 6.861 0.020 1 954 96 96 TYR HD2 H 6.861 0.020 1 955 96 96 TYR C C 174.502 0.400 1 956 96 96 TYR CA C 56.629 0.400 1 957 96 96 TYR CB C 39.243 0.400 1 958 96 96 TYR N N 122.691 0.400 1 959 97 97 LYS H H 8.220 0.020 1 960 97 97 LYS HA H 4.225 0.020 1 961 97 97 LYS HB2 H 1.742 0.020 2 962 97 97 LYS HB3 H 1.797 0.020 2 963 97 97 LYS HD2 H 1.640 0.020 2 964 97 97 LYS HD3 H 1.640 0.020 2 965 97 97 LYS HE2 H 2.952 0.020 2 966 97 97 LYS HE3 H 2.952 0.020 2 967 97 97 LYS HG2 H 1.315 0.020 2 968 97 97 LYS HG3 H 1.315 0.020 2 969 97 97 LYS C C 175.756 0.400 1 970 97 97 LYS CA C 56.004 0.400 1 971 97 97 LYS CB C 33.371 0.400 1 972 97 97 LYS CD C 29.321 0.400 1 973 97 97 LYS CE C 42.147 0.400 1 974 97 97 LYS CG C 24.890 0.400 1 975 97 97 LYS N N 123.041 0.400 1 976 98 98 ARG H H 8.441 0.020 1 977 98 98 ARG HA H 4.369 0.020 1 978 98 98 ARG HB2 H 1.700 0.020 2 979 98 98 ARG HB3 H 1.700 0.020 2 980 98 98 ARG HG2 H 1.611 0.020 2 981 98 98 ARG HG3 H 1.611 0.020 2 982 98 98 ARG C C 176.256 0.400 1 983 98 98 ARG CA C 56.216 0.400 1 984 98 98 ARG CB C 30.880 0.400 1 985 98 98 ARG CD C 43.248 0.400 1 986 98 98 ARG CG C 27.690 0.400 1 987 98 98 ARG N N 124.770 0.400 1 988 99 99 ILE H H 8.298 0.020 1 989 99 99 ILE HA H 4.176 0.020 1 990 99 99 ILE HB H 1.810 0.020 1 991 99 99 ILE HD1 H 0.876 0.020 1 992 99 99 ILE HG12 H 1.250 0.020 2 993 99 99 ILE HG13 H 1.465 0.020 2 994 99 99 ILE HG2 H 0.885 0.020 1 995 99 99 ILE C C 175.878 0.400 1 996 99 99 ILE CA C 61.035 0.400 1 997 99 99 ILE CB C 38.829 0.400 1 998 99 99 ILE CD1 C 12.645 0.400 1 999 99 99 ILE CG1 C 27.317 0.400 1 1000 99 99 ILE CG2 C 17.601 0.400 1 1001 99 99 ILE N N 122.687 0.400 1 1002 100 100 LYS H H 8.299 0.020 1 1003 100 100 LYS HA H 4.662 0.020 1 1004 100 100 LYS HB2 H 1.708 0.020 2 1005 100 100 LYS HB3 H 1.708 0.020 2 1006 100 100 LYS HD2 H 1.450 0.020 2 1007 100 100 LYS HD3 H 1.450 0.020 2 1008 100 100 LYS CA C 54.122 0.400 1 1009 100 100 LYS CB C 33.196 0.400 1 1010 100 100 LYS N N 125.964 0.400 1 1011 101 101 PRO HA H 4.391 0.020 1 1012 101 101 PRO HB2 H 1.962 0.020 2 1013 101 101 PRO HB3 H 2.264 0.020 2 1014 101 101 PRO HD2 H 3.660 0.020 2 1015 101 101 PRO HD3 H 3.820 0.020 2 1016 101 101 PRO HG2 H 1.979 0.020 2 1017 101 101 PRO HG3 H 2.041 0.020 2 1018 101 101 PRO C C 175.967 0.400 1 1019 101 101 PRO CA C 63.306 0.400 1 1020 101 101 PRO CB C 32.059 0.400 1 1021 101 101 PRO CD C 50.970 0.400 1 1022 101 101 PRO CG C 27.362 0.400 1 1023 102 102 LEU H H 7.881 0.020 1 1024 102 102 LEU HA H 4.117 0.020 1 1025 102 102 LEU HB2 H 1.546 0.020 2 1026 102 102 LEU HB3 H 1.546 0.020 2 1027 102 102 LEU CA C 57.015 0.400 1 1028 102 102 LEU CB C 43.480 0.400 1 1029 102 102 LEU N N 127.836 0.400 1 stop_ save_