data_18292 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the RNA binding motif 39 (RBM39) from Mus musculus ; _BMRB_accession_number 18292 _BMRB_flat_file_name bmr18292.str _Entry_type original _Submission_date 2012-02-23 _Accession_date 2012-02-23 _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 Serrano Pedro . . 2 Dutta Samit K. . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 622 "13C chemical shifts" 476 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-22 original author . stop_ _Original_release_date 2012-03-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the RNA binding motif 39 (RBM39) from Mus musculus' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serrano Pedro . . 2 Dutta Samit K. . 3 Geralt Michael . . 4 Wuthrich Kurt . . 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 RBM39 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RBM39 $RBM39 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_RBM39 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12516.306 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; VQPLATQCFQLSNMFNPQTE EEVGWDTEIKDDVIEECNKH GGVIHIYVDKNSAQGNVYVK CPSIAAAIAAVNALHGRWFA GKMITAAYVPLPTYHNLFPD SMTATQLLVPSRR ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 GLN 3 PRO 4 LEU 5 ALA 6 THR 7 GLN 8 CYS 9 PHE 10 GLN 11 LEU 12 SER 13 ASN 14 MET 15 PHE 16 ASN 17 PRO 18 GLN 19 THR 20 GLU 21 GLU 22 GLU 23 VAL 24 GLY 25 TRP 26 ASP 27 THR 28 GLU 29 ILE 30 LYS 31 ASP 32 ASP 33 VAL 34 ILE 35 GLU 36 GLU 37 CYS 38 ASN 39 LYS 40 HIS 41 GLY 42 GLY 43 VAL 44 ILE 45 HIS 46 ILE 47 TYR 48 VAL 49 ASP 50 LYS 51 ASN 52 SER 53 ALA 54 GLN 55 GLY 56 ASN 57 VAL 58 TYR 59 VAL 60 LYS 61 CYS 62 PRO 63 SER 64 ILE 65 ALA 66 ALA 67 ALA 68 ILE 69 ALA 70 ALA 71 VAL 72 ASN 73 ALA 74 LEU 75 HIS 76 GLY 77 ARG 78 TRP 79 PHE 80 ALA 81 GLY 82 LYS 83 MET 84 ILE 85 THR 86 ALA 87 ALA 88 TYR 89 VAL 90 PRO 91 LEU 92 PRO 93 THR 94 TYR 95 HIS 96 ASN 97 LEU 98 PHE 99 PRO 100 ASP 101 SER 102 MET 103 THR 104 ALA 105 THR 106 GLN 107 LEU 108 LEU 109 VAL 110 PRO 111 SER 112 ARG 113 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2LQ5 "Nmr Structure Of The Rna Binding Motif 39 (rbm39) From Mus Musculus" 100.00 113 100.00 100.00 7.01e-79 PDB 3S6E "Crystal Structure Of A Rna Binding Motif Protein 39 (rbm39) From Mus Musculus At 0.95 A Resolution" 100.00 114 97.35 97.35 1.20e-75 PDB 4J5O "Room Temperature Crystal Structure Of A Rna Binding Motif Protein 39 (rbm39) From Mus Musculus At 1.11 A Resolution" 100.00 114 100.00 100.00 9.30e-79 PDB 4OZ0 "Crystal Structure Of Human Caperalpha U2af Homology Motif (apo-state)" 100.00 115 100.00 100.00 6.55e-79 PDB 4OZ1 "Crystal Structure Of Human Caperalpha Uhm Bound To Sf3b155 Ulm5" 100.00 115 100.00 100.00 6.55e-79 PDB 4RU2 "Crystal Structure Of A Rna-binding Protein 39 (rbm39) In Complex With Fragment Of Splicing Factor (u2af) From Mus Musculus At 2" 100.00 114 99.12 99.12 1.29e-77 PDB 5CXT "Crystal Structure Of A Rna-binding Protein 39 (rbm39) In Complex With Fragment Of Splicing Factor (u2af) From Unknown At 2.20 A" 100.00 114 99.12 99.12 1.29e-77 DBJ BAE22009 "unnamed protein product [Mus musculus]" 100.00 169 100.00 100.00 3.90e-80 DBJ BAE22477 "unnamed protein product [Mus musculus]" 100.00 521 100.00 100.00 5.09e-78 DBJ BAE27657 "unnamed protein product [Mus musculus]" 100.00 530 100.00 100.00 6.27e-78 DBJ BAE32977 "unnamed protein product [Mus musculus]" 100.00 524 100.00 100.00 5.46e-78 DBJ BAG54289 "unnamed protein product [Homo sapiens]" 100.00 506 100.00 100.00 3.56e-78 EMBL CAD97833 "hypothetical protein [Homo sapiens]" 100.00 373 100.00 100.00 1.49e-78 EMBL CAE45833 "hypothetical protein [Homo sapiens]" 100.00 367 100.00 100.00 1.17e-78 EMBL CAE45890 "hypothetical protein [Homo sapiens]" 100.00 373 100.00 100.00 1.39e-78 EMBL CAH18281 "hypothetical protein [Homo sapiens]" 100.00 513 100.00 100.00 4.21e-78 EMBL CAH90627 "hypothetical protein [Pongo abelii]" 100.00 524 100.00 100.00 5.46e-78 GB AAA16346 "splicing factor [Homo sapiens]" 100.00 524 100.00 100.00 5.46e-78 GB AAA16347 "splicing factor [Homo sapiens]" 100.00 530 100.00 100.00 6.27e-78 GB AAH04000 "Rbm39 protein, partial [Mus musculus]" 100.00 429 100.00 100.00 9.61e-78 GB AAH30493 "Rbm39 protein [Mus musculus]" 100.00 367 100.00 100.00 1.17e-78 GB AAH82607 "Rbm39 protein [Mus musculus]" 100.00 367 100.00 100.00 1.17e-78 REF NP_001013225 "RNA-binding protein 39 [Rattus norvegicus]" 100.00 524 100.00 100.00 5.46e-78 REF NP_001125339 "RNA-binding protein 39 [Pongo abelii]" 100.00 524 100.00 100.00 5.46e-78 REF NP_001162566 "RNA-binding protein 39 [Papio anubis]" 100.00 530 100.00 100.00 6.27e-78 REF NP_001164806 "RNA-binding protein 39 [Oryctolagus cuniculus]" 100.00 530 100.00 100.00 6.27e-78 REF NP_001193433 "RNA-binding protein 39 [Bos taurus]" 100.00 530 100.00 100.00 6.27e-78 SP Q14498 "RecName: Full=RNA-binding protein 39; AltName: Full=CAPER alpha; AltName: Full=Hepatocellular carcinoma protein 1; AltName: Ful" 100.00 530 100.00 100.00 6.27e-78 SP Q5RC80 "RecName: Full=RNA-binding protein 39; AltName: Full=RNA-binding motif protein 39" 100.00 524 100.00 100.00 5.46e-78 SP Q8VH51 "RecName: Full=RNA-binding protein 39; AltName: Full=Coactivator of activating protein 1 and estrogen receptors; Short=Coactivat" 100.00 530 100.00 100.00 6.27e-78 TPG DAA23046 "TPA: RNA binding motif protein 39 [Bos taurus]" 100.00 524 100.00 100.00 5.46e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RBM39 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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 $RBM39 'recombinant technology' . Escherichia coli 'BL21 DE3' pSpeedET 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 $RBM39 1.2 mM '[U-95% 13C; U-95% 15N]' 'sodium azide' 4.5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_Opalp _Saveframe_category software _Name Opalp _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Unio Herrmann Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_4D_APSY_HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY HACANH' _Sample_label $sample_1 save_ save_5D_APSY_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY CBCACONH' _Sample_label $sample_1 save_ save_5D_APSY_HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY HACACONH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 0.083 . M pH 6.0 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '4D APSY HACANH' '5D APSY CBCACONH' '5D APSY HACACONH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RBM39 _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 2 2 GLN H H 8.471 0.000 1 2 2 2 GLN HA H 4.571 0.000 1 3 2 2 GLN HB2 H 2.026 0.000 2 4 2 2 GLN HB3 H 1.893 0.000 2 5 2 2 GLN HG2 H 2.341 0.000 2 6 2 2 GLN HG3 H 2.341 0.000 2 7 2 2 GLN CA C 50.502 0.000 1 8 2 2 GLN CB C 26.254 0.000 1 9 2 2 GLN CG C 30.994 0.000 1 10 2 2 GLN N N 125.719 0.000 1 11 2 2 GLN NE2 N 107.000 0.000 1 12 3 3 PRO HA H 4.311 0.000 1 13 3 3 PRO HB2 H 1.831 0.000 2 14 3 3 PRO HB3 H 2.250 0.000 2 15 3 3 PRO HG2 H 1.967 0.000 2 16 3 3 PRO HG3 H 1.967 0.000 2 17 3 3 PRO HD2 H 3.640 0.000 2 18 3 3 PRO HD3 H 3.769 0.000 2 19 3 3 PRO C C 173.634 0.000 1 20 3 3 PRO CA C 60.349 0.000 1 21 3 3 PRO CB C 29.678 0.000 1 22 3 3 PRO CG C 24.814 0.000 1 23 3 3 PRO CD C 47.933 0.000 1 24 4 4 LEU H H 7.912 0.000 1 25 4 4 LEU HA H 4.133 0.000 1 26 4 4 LEU HB2 H 1.460 0.000 2 27 4 4 LEU HG H 1.515 0.000 1 28 4 4 LEU HD1 H 0.778 0.000 . 29 4 4 LEU HD2 H 0.838 0.000 . 30 4 4 LEU C C 172.946 0.000 1 31 4 4 LEU CA C 51.900 0.000 1 32 4 4 LEU CB C 39.711 0.000 1 33 4 4 LEU CG C 24.354 0.000 1 34 4 4 LEU CD1 C 21.034 0.000 2 35 4 4 LEU CD2 C 22.177 0.000 2 36 4 4 LEU N N 122.253 0.000 1 37 5 5 ALA H H 7.415 0.000 1 38 5 5 ALA HA H 2.385 0.000 1 39 5 5 ALA HB H 0.802 0.000 . 40 5 5 ALA C C 174.164 0.000 1 41 5 5 ALA CA C 49.205 0.000 1 42 5 5 ALA CB C 17.058 0.000 1 43 5 5 ALA N N 122.619 0.000 1 44 6 6 THR H H 6.601 0.000 1 45 6 6 THR HA H 4.393 0.000 1 46 6 6 THR HB H 4.426 0.000 1 47 6 6 THR HG2 H 1.113 0.000 . 48 6 6 THR C C 168.908 0.000 1 49 6 6 THR CA C 56.371 0.000 1 50 6 6 THR CB C 68.874 0.000 1 51 6 6 THR CG2 C 19.581 0.000 1 52 6 6 THR N N 112.768 0.000 1 53 7 7 GLN H H 8.547 0.000 1 54 7 7 GLN HA H 4.344 0.000 1 55 7 7 GLN HB2 H 1.852 0.000 2 56 7 7 GLN HB3 H 2.065 0.000 2 57 7 7 GLN HG2 H 2.053 0.000 2 58 7 7 GLN HG3 H 2.274 0.000 2 59 7 7 GLN HE21 H 7.694 0.000 2 60 7 7 GLN HE22 H 7.067 0.000 2 61 7 7 GLN C C 171.068 0.000 1 62 7 7 GLN CA C 53.795 0.000 1 63 7 7 GLN CB C 28.252 0.000 1 64 7 7 GLN CG C 32.880 0.000 1 65 7 7 GLN N N 111.707 0.000 1 66 7 7 GLN NE2 N 110.091 0.000 1 67 8 8 CYS H H 8.558 0.000 1 68 8 8 CYS HA H 5.389 0.000 1 69 8 8 CYS HB2 H 2.357 0.000 2 70 8 8 CYS HB3 H 3.042 0.000 2 71 8 8 CYS C C 171.026 0.000 1 72 8 8 CYS CA C 53.652 0.000 1 73 8 8 CYS CB C 29.416 0.000 1 74 8 8 CYS N N 118.669 0.000 1 75 9 9 PHE H H 9.533 0.000 1 76 9 9 PHE HA H 5.369 0.000 1 77 9 9 PHE HB2 H 2.677 0.000 2 78 9 9 PHE HB3 H 2.444 0.000 2 79 9 9 PHE HD1 H 6.598 0.000 3 80 9 9 PHE HD2 H 6.598 0.000 3 81 9 9 PHE HE1 H 6.994 0.000 3 82 9 9 PHE HE2 H 6.994 0.000 3 83 9 9 PHE HZ H 6.713 0.000 1 84 9 9 PHE C C 168.313 0.000 1 85 9 9 PHE CA C 53.341 0.000 1 86 9 9 PHE CB C 39.008 0.000 1 87 9 9 PHE CD1 C 127.424 0.000 3 88 9 9 PHE CD2 C 127.424 0.000 3 89 9 9 PHE CE1 C 125.834 0.000 3 90 9 9 PHE CE2 C 125.834 0.000 3 91 9 9 PHE CZ C 124.379 0.000 1 92 9 9 PHE N N 117.117 0.000 1 93 10 10 GLN H H 9.299 0.000 1 94 10 10 GLN HA H 5.063 0.000 1 95 10 10 GLN HB2 H 1.776 0.000 2 96 10 10 GLN HB3 H 1.668 0.000 2 97 10 10 GLN HG2 H 1.525 0.000 2 98 10 10 GLN HG3 H 1.321 0.000 2 99 10 10 GLN HE21 H 6.720 0.000 2 100 10 10 GLN HE22 H 6.207 0.000 2 101 10 10 GLN C C 173.280 0.000 1 102 10 10 GLN CA C 50.242 0.000 1 103 10 10 GLN CB C 30.263 0.000 1 104 10 10 GLN CG C 30.597 0.000 1 105 10 10 GLN N N 118.344 0.000 1 106 10 10 GLN NE2 N 109.500 0.000 1 107 11 11 LEU H H 9.679 0.000 1 108 11 11 LEU HA H 5.474 0.000 1 109 11 11 LEU HB2 H 1.731 0.000 2 110 11 11 LEU HB3 H 1.483 0.000 2 111 11 11 LEU HG H 1.728 0.000 1 112 11 11 LEU HD1 H 0.879 0.000 . 113 11 11 LEU HD2 H 0.859 0.000 . 114 11 11 LEU C C 173.987 0.000 1 115 11 11 LEU CA C 50.153 0.000 1 116 11 11 LEU CB C 41.779 0.000 1 117 11 11 LEU CG C 24.292 0.000 1 118 11 11 LEU CD1 C 21.041 0.000 2 119 11 11 LEU CD2 C 23.687 0.000 2 120 11 11 LEU N N 128.664 0.000 1 121 12 12 SER H H 8.717 0.000 1 122 12 12 SER HA H 4.877 0.000 1 123 12 12 SER HB2 H 3.514 0.000 2 124 12 12 SER HB3 H 3.661 0.000 2 125 12 12 SER C C 170.086 0.000 1 126 12 12 SER CA C 54.698 0.000 1 127 12 12 SER CB C 63.054 0.000 1 128 12 12 SER N N 115.661 0.000 1 129 13 13 ASN H H 8.563 0.000 1 130 13 13 ASN HA H 4.165 0.000 1 131 13 13 ASN HB2 H 3.076 0.000 2 132 13 13 ASN HB3 H 2.860 0.000 2 133 13 13 ASN HD21 H 6.722 0.000 2 134 13 13 ASN HD22 H 7.436 0.000 2 135 13 13 ASN C C 171.867 0.000 1 136 13 13 ASN CA C 51.269 0.000 1 137 13 13 ASN CB C 34.988 0.000 1 138 13 13 ASN N N 114.812 0.000 1 139 13 13 ASN ND2 N 112.719 0.000 1 140 14 14 MET H H 8.261 0.000 1 141 14 14 MET HA H 4.258 0.000 1 142 14 14 MET HB2 H 1.979 0.000 2 143 14 14 MET HG2 H 2.217 0.000 2 144 14 14 MET HG3 H 2.108 0.000 2 145 14 14 MET HE H 1.490 0.000 . 146 14 14 MET C C 171.935 0.000 1 147 14 14 MET CA C 53.020 0.000 1 148 14 14 MET CB C 29.746 0.000 1 149 14 14 MET CG C 30.729 0.000 1 150 14 14 MET CE C 13.566 0.000 1 151 14 14 MET N N 113.100 0.000 1 152 15 15 PHE H H 6.804 0.000 1 153 15 15 PHE HA H 4.485 0.000 1 154 15 15 PHE HB2 H 2.648 0.000 2 155 15 15 PHE HB3 H 3.329 0.000 2 156 15 15 PHE HD1 H 6.573 0.000 3 157 15 15 PHE HD2 H 6.573 0.000 3 158 15 15 PHE C C 170.024 0.000 1 159 15 15 PHE CA C 53.080 0.000 1 160 15 15 PHE CB C 36.300 0.000 1 161 15 15 PHE CD1 C 128.080 0.000 3 162 15 15 PHE CD2 C 128.080 0.000 3 163 15 15 PHE N N 108.769 0.000 1 164 16 16 ASN H H 8.681 0.000 1 165 16 16 ASN HA H 4.932 0.000 1 166 16 16 ASN HB2 H 2.898 0.000 2 167 16 16 ASN HB3 H 2.656 0.000 2 168 16 16 ASN HD21 H 7.515 0.000 2 169 16 16 ASN HD22 H 6.916 0.000 2 170 16 16 ASN CA C 47.510 0.000 1 171 16 16 ASN CB C 36.512 0.000 1 172 16 16 ASN N N 117.922 0.000 1 173 16 16 ASN ND2 N 112.564 0.000 1 174 17 17 PRO HA H 4.102 0.000 1 175 17 17 PRO HB2 H 2.412 0.000 2 176 17 17 PRO HG3 H 1.987 0.000 2 177 17 17 PRO HD2 H 3.685 0.000 2 178 17 17 PRO HD3 H 3.771 0.000 2 179 17 17 PRO C C 174.773 0.000 1 180 17 17 PRO CA C 61.933 0.000 1 181 17 17 PRO CB C 29.557 0.000 1 182 17 17 PRO CG C 24.942 0.000 1 183 17 17 PRO CD C 48.148 0.000 1 184 18 18 GLN H H 7.934 0.000 1 185 18 18 GLN HA H 4.146 0.000 1 186 18 18 GLN HB2 H 2.022 0.000 2 187 18 18 GLN HB3 H 1.853 0.000 2 188 18 18 GLN HG2 H 2.163 0.000 2 189 18 18 GLN HG3 H 2.222 0.000 2 190 18 18 GLN HE21 H 6.691 0.000 2 191 18 18 GLN HE22 H 7.414 0.000 2 192 18 18 GLN C C 174.423 0.000 1 193 18 18 GLN CA C 54.067 0.000 1 194 18 18 GLN CB C 26.326 0.000 1 195 18 18 GLN CG C 31.637 0.000 1 196 18 18 GLN N N 116.462 0.000 1 197 18 18 GLN NE2 N 112.232 0.000 1 198 19 19 THR H H 7.723 0.000 1 199 19 19 THR HA H 4.176 0.000 1 200 19 19 THR HB H 4.170 0.000 1 201 19 19 THR HG2 H 1.058 0.000 . 202 19 19 THR C C 171.908 0.000 1 203 19 19 THR CA C 59.509 0.000 1 204 19 19 THR CB C 66.360 0.000 1 205 19 19 THR CG2 C 19.156 0.000 1 206 19 19 THR N N 112.362 0.000 1 207 20 20 GLU H H 7.312 0.000 1 208 20 20 GLU HA H 3.658 0.000 1 209 20 20 GLU HB2 H 1.314 0.000 2 210 20 20 GLU HB3 H 1.314 0.000 2 211 20 20 GLU HG2 H 1.408 0.000 2 212 20 20 GLU HG3 H 1.561 0.000 2 213 20 20 GLU C C 173.311 0.000 1 214 20 20 GLU CA C 53.164 0.000 1 215 20 20 GLU CB C 25.837 0.000 1 216 20 20 GLU CG C 31.247 0.000 1 217 20 20 GLU N N 120.326 0.000 1 218 21 21 GLU H H 8.011 0.000 1 219 21 21 GLU HA H 4.162 0.000 1 220 21 21 GLU HB2 H 1.975 0.000 2 221 21 21 GLU HB3 H 1.719 0.000 2 222 21 21 GLU HG2 H 2.026 0.000 2 223 21 21 GLU HG3 H 2.058 0.000 2 224 21 21 GLU C C 173.747 0.000 1 225 21 21 GLU CA C 53.873 0.000 1 226 21 21 GLU CB C 28.445 0.000 1 227 21 21 GLU CG C 33.327 0.000 1 228 21 21 GLU N N 120.796 0.000 1 229 22 22 GLU H H 8.039 0.000 1 230 22 22 GLU HA H 4.393 0.000 1 231 22 22 GLU HB2 H 2.056 0.000 2 232 22 22 GLU HB3 H 1.969 0.000 2 233 22 22 GLU HG2 H 2.239 0.000 2 234 22 22 GLU HG3 H 2.308 0.000 2 235 22 22 GLU C C 173.536 0.000 1 236 22 22 GLU CA C 52.982 0.000 1 237 22 22 GLU CB C 28.012 0.000 1 238 22 22 GLU CG C 33.262 0.000 1 239 22 22 GLU N N 121.370 0.000 1 240 23 23 VAL H H 8.447 0.000 1 241 23 23 VAL HA H 3.901 0.000 1 242 23 23 VAL HB H 1.986 0.000 1 243 23 23 VAL HG1 H 1.026 0.000 . 244 23 23 VAL HG2 H 0.916 0.000 . 245 23 23 VAL C C 175.077 0.000 1 246 23 23 VAL CA C 61.540 0.000 1 247 23 23 VAL CB C 29.361 0.000 1 248 23 23 VAL CG1 C 18.311 0.000 2 249 23 23 VAL CG2 C 18.311 0.000 2 250 23 23 VAL N N 123.340 0.000 1 251 24 24 GLY H H 9.087 0.000 1 252 24 24 GLY HA2 H 4.171 0.000 2 253 24 24 GLY HA3 H 3.751 0.000 2 254 24 24 GLY C C 173.717 0.000 1 255 24 24 GLY CA C 42.667 0.000 1 256 24 24 GLY N N 114.476 0.000 1 257 25 25 TRP HA H 4.214 0.000 1 258 25 25 TRP HB2 H 3.294 0.000 2 259 25 25 TRP HB3 H 3.448 0.000 2 260 25 25 TRP HD1 H 7.576 0.000 1 261 25 25 TRP HE1 H 10.053 0.000 1 262 25 25 TRP HE3 H 6.863 0.000 1 263 25 25 TRP HZ2 H 7.146 0.000 1 264 25 25 TRP HZ3 H 5.352 0.000 1 265 25 25 TRP HH2 H 6.092 0.000 1 266 25 25 TRP C C 174.056 0.000 1 267 25 25 TRP CA C 56.093 0.000 1 268 25 25 TRP CB C 25.016 0.000 1 269 25 25 TRP CD1 C 123.964 0.000 1 270 25 25 TRP CE3 C 115.045 0.000 1 271 25 25 TRP CZ2 C 109.100 0.000 1 272 25 25 TRP CZ3 C 116.189 0.000 1 273 25 25 TRP CH2 C 119.205 0.000 1 274 25 25 TRP N N 121.382 0.000 1 275 25 25 TRP NE1 N 129.748 0.000 1 276 26 26 ASP H H 7.939 0.000 1 277 26 26 ASP HA H 3.261 0.000 1 278 26 26 ASP HB2 H 1.507 0.000 2 279 26 26 ASP HB3 H 0.172 0.000 2 280 26 26 ASP C C 174.709 0.000 1 281 26 26 ASP CA C 52.705 0.000 1 282 26 26 ASP CB C 34.503 0.000 1 283 26 26 ASP N N 118.789 0.000 1 284 27 27 THR H H 7.103 0.000 1 285 27 27 THR HA H 3.552 0.000 1 286 27 27 THR HB H 4.018 0.000 1 287 27 27 THR HG2 H 1.051 0.000 . 288 27 27 THR C C 172.390 0.000 1 289 27 27 THR CA C 63.307 0.000 1 290 27 27 THR CB C 65.331 0.000 1 291 27 27 THR CG2 C 19.806 0.000 1 292 27 27 THR N N 118.934 0.000 1 293 28 28 GLU H H 7.473 0.000 1 294 28 28 GLU HA H 3.978 0.000 1 295 28 28 GLU HB2 H 2.056 0.000 2 296 28 28 GLU HB3 H 2.056 0.000 2 297 28 28 GLU HG2 H 2.287 0.000 2 298 28 28 GLU HG3 H 2.222 0.000 2 299 28 28 GLU C C 175.447 0.000 1 300 28 28 GLU CA C 56.760 0.000 1 301 28 28 GLU CB C 26.418 0.000 1 302 28 28 GLU CG C 33.002 0.000 1 303 28 28 GLU N N 120.484 0.000 1 304 29 29 ILE H H 7.113 0.000 1 305 29 29 ILE HA H 3.773 0.000 1 306 29 29 ILE HB H 1.668 0.000 1 307 29 29 ILE HG12 H 1.422 0.000 . 308 29 29 ILE HG13 H 1.422 0.000 . 309 29 29 ILE HG2 H 0.727 0.000 . 310 29 29 ILE HD1 H 0.931 0.000 . 311 29 29 ILE C C 174.605 0.000 1 312 29 29 ILE CA C 61.243 0.000 1 313 29 29 ILE CB C 35.267 0.000 1 314 29 29 ILE CG1 C 25.917 0.000 1 315 29 29 ILE CG2 C 15.321 0.000 1 316 29 29 ILE CD1 C 10.706 0.000 1 317 29 29 ILE N N 116.961 0.000 1 318 30 30 LYS H H 7.480 0.000 1 319 30 30 LYS HA H 3.430 0.000 1 320 30 30 LYS HB2 H 1.683 0.000 2 321 30 30 LYS HB3 H 1.683 0.000 2 322 30 30 LYS HG2 H 1.231 0.000 2 323 30 30 LYS HG3 H 1.055 0.000 2 324 30 30 LYS HD2 H 1.458 0.000 2 325 30 30 LYS HD3 H 1.458 0.000 2 326 30 30 LYS HE2 H 2.636 0.000 2 327 30 30 LYS HE3 H 2.636 0.000 2 328 30 30 LYS C C 174.886 0.000 1 329 30 30 LYS CA C 57.872 0.000 1 330 30 30 LYS CB C 29.680 0.000 1 331 30 30 LYS CG C 22.926 0.000 1 332 30 30 LYS CD C 27.022 0.000 1 333 30 30 LYS CE C 39.113 0.000 1 334 30 30 LYS N N 118.457 0.000 1 335 31 31 ASP H H 8.334 0.000 1 336 31 31 ASP HA H 4.233 0.000 1 337 31 31 ASP HB2 H 2.758 0.000 2 338 31 31 ASP HB3 H 2.395 0.000 2 339 31 31 ASP C C 175.558 0.000 1 340 31 31 ASP CA C 55.137 0.000 1 341 31 31 ASP CB C 36.829 0.000 1 342 31 31 ASP N N 118.630 0.000 1 343 32 32 ASP H H 8.189 0.000 1 344 32 32 ASP HA H 4.277 0.000 1 345 32 32 ASP HB2 H 2.554 0.000 2 346 32 32 ASP HB3 H 2.989 0.000 2 347 32 32 ASP C C 176.966 0.000 1 348 32 32 ASP CA C 54.829 0.000 1 349 32 32 ASP CB C 37.331 0.000 1 350 32 32 ASP N N 120.576 0.000 1 351 33 33 VAL H H 8.069 0.000 1 352 33 33 VAL HA H 3.444 0.000 1 353 33 33 VAL HB H 2.034 0.000 1 354 33 33 VAL HG1 H 0.805 0.000 . 355 33 33 VAL HG2 H 0.711 0.000 . 356 33 33 VAL C C 175.529 0.000 1 357 33 33 VAL CA C 64.511 0.000 1 358 33 33 VAL CB C 28.920 0.000 1 359 33 33 VAL CG1 C 20.998 0.000 2 360 33 33 VAL CG2 C 20.311 0.000 2 361 33 33 VAL N N 121.083 0.000 1 362 34 34 ILE H H 8.887 0.000 1 363 34 34 ILE HA H 3.272 0.000 1 364 34 34 ILE HB H 1.614 0.000 1 365 34 34 ILE HG12 H 1.797 0.000 . 366 34 34 ILE HG13 H 1.797 0.000 . 367 34 34 ILE HG2 H 0.491 0.000 . 368 34 34 ILE HD1 H 0.565 0.000 . 369 34 34 ILE C C 174.723 0.000 1 370 34 34 ILE CA C 63.723 0.000 1 371 34 34 ILE CB C 35.949 0.000 1 372 34 34 ILE CG1 C 26.669 0.000 1 373 34 34 ILE CG2 C 14.639 0.000 1 374 34 34 ILE CD1 C 12.186 0.000 1 375 34 34 ILE N N 122.145 0.000 1 376 35 35 GLU H H 8.565 0.000 1 377 35 35 GLU HA H 3.830 0.000 1 378 35 35 GLU HB2 H 2.113 0.000 2 379 35 35 GLU HB3 H 2.004 0.000 2 380 35 35 GLU HG2 H 2.317 0.000 2 381 35 35 GLU HG3 H 2.123 0.000 2 382 35 35 GLU C C 176.747 0.000 1 383 35 35 GLU CA C 57.183 0.000 1 384 35 35 GLU CB C 26.969 0.000 1 385 35 35 GLU CG C 34.059 0.000 1 386 35 35 GLU N N 117.927 0.000 1 387 36 36 GLU H H 7.523 0.000 1 388 36 36 GLU HA H 4.012 0.000 1 389 36 36 GLU HB2 H 2.254 0.000 2 390 36 36 GLU HB3 H 2.034 0.000 2 391 36 36 GLU HG2 H 2.349 0.000 2 392 36 36 GLU C C 176.604 0.000 1 393 36 36 GLU CA C 56.357 0.000 1 394 36 36 GLU CB C 26.612 0.000 1 395 36 36 GLU CG C 33.315 0.000 1 396 36 36 GLU N N 117.299 0.000 1 397 37 37 CYS H H 8.754 0.000 1 398 37 37 CYS HA H 4.141 0.000 1 399 37 37 CYS HB2 H 2.805 0.000 2 400 37 37 CYS HB3 H 2.612 0.000 2 401 37 37 CYS C C 175.888 0.000 1 402 37 37 CYS CA C 61.915 0.000 1 403 37 37 CYS CB C 24.513 0.000 1 404 37 37 CYS N N 116.308 0.000 1 405 38 38 ASN H H 8.800 0.000 1 406 38 38 ASN HA H 4.452 0.000 1 407 38 38 ASN HB2 H 2.834 0.000 2 408 38 38 ASN HB3 H 2.834 0.000 2 409 38 38 ASN HD21 H 6.641 0.000 2 410 38 38 ASN HD22 H 7.661 0.000 2 411 38 38 ASN C C 174.340 0.000 1 412 38 38 ASN CA C 52.249 0.000 1 413 38 38 ASN CB C 34.488 0.000 1 414 38 38 ASN N N 121.598 0.000 1 415 38 38 ASN ND2 N 107.322 0.000 1 416 39 39 LYS H H 7.427 0.000 1 417 39 39 LYS HA H 4.002 0.000 1 418 39 39 LYS HB2 H 1.420 0.000 2 419 39 39 LYS HB3 H 0.994 0.000 2 420 39 39 LYS HG2 H 1.190 0.000 2 421 39 39 LYS HG3 H 1.462 0.000 2 422 39 39 LYS HD2 H 1.574 0.000 2 423 39 39 LYS HE2 H 2.782 0.000 2 424 39 39 LYS HE3 H 2.858 0.000 2 425 39 39 LYS C C 174.388 0.000 1 426 39 39 LYS CA C 55.239 0.000 1 427 39 39 LYS CB C 29.477 0.000 1 428 39 39 LYS CG C 22.717 0.000 1 429 39 39 LYS CD C 26.956 0.000 1 430 39 39 LYS CE C 39.559 0.000 1 431 39 39 LYS N N 119.297 0.000 1 432 40 40 HIS H H 7.453 0.000 1 433 40 40 HIS HA H 4.896 0.000 1 434 40 40 HIS HB2 H 3.459 0.000 2 435 40 40 HIS HB3 H 3.164 0.000 2 436 40 40 HIS HD2 H 7.015 0.000 1 437 40 40 HIS HE1 H 7.650 0.000 1 438 40 40 HIS C C 171.895 0.000 1 439 40 40 HIS CA C 51.758 0.000 1 440 40 40 HIS CB C 28.775 0.000 1 441 40 40 HIS CD2 C 116.300 0.000 1 442 40 40 HIS CE1 C 134.054 0.000 1 443 40 40 HIS N N 114.421 0.000 1 444 41 41 GLY H H 7.599 0.000 1 445 41 41 GLY HA2 H 4.418 0.000 2 446 41 41 GLY HA3 H 3.690 0.000 2 447 41 41 GLY C C 171.376 0.000 1 448 41 41 GLY CA C 42.388 0.000 1 449 41 41 GLY N N 106.587 0.000 1 450 42 42 GLY H H 7.942 0.000 1 451 42 42 GLY HA2 H 4.427 0.000 2 452 42 42 GLY HA3 H 3.816 0.000 2 453 42 42 GLY C C 169.120 0.000 1 454 42 42 GLY CA C 41.518 0.000 1 455 42 42 GLY N N 107.066 0.000 1 456 43 43 VAL H H 8.679 0.000 1 457 43 43 VAL HA H 4.527 0.000 1 458 43 43 VAL HB H 2.100 0.000 1 459 43 43 VAL HG1 H 0.875 0.000 . 460 43 43 VAL HG2 H 0.862 0.000 . 461 43 43 VAL C C 169.861 0.000 1 462 43 43 VAL CA C 58.404 0.000 1 463 43 43 VAL CB C 31.692 0.000 1 464 43 43 VAL CG1 C 21.571 0.000 2 465 43 43 VAL CG2 C 19.382 0.000 2 466 43 43 VAL N N 114.640 0.000 1 467 44 44 ILE H H 8.587 0.000 1 468 44 44 ILE HA H 4.918 0.000 1 469 44 44 ILE HB H 1.760 0.000 1 470 44 44 ILE HG12 H 0.947 0.000 2 471 44 44 ILE HG13 H 0.444 0.000 2 472 44 44 ILE HG2 H 0.579 0.000 . 473 44 44 ILE HD1 H 0.660 0.000 . 474 44 44 ILE C C 172.246 0.000 1 475 44 44 ILE CA C 57.770 0.000 1 476 44 44 ILE CB C 37.197 0.000 1 477 44 44 ILE CG1 C 23.634 0.000 1 478 44 44 ILE CG2 C 16.014 0.000 1 479 44 44 ILE CD1 C 10.858 0.000 1 480 44 44 ILE N N 115.792 0.000 1 481 45 45 HIS H H 7.791 0.000 1 482 45 45 HIS HA H 4.426 0.000 1 483 45 45 HIS HB2 H 3.048 0.000 2 484 45 45 HIS HB3 H 2.774 0.000 2 485 45 45 HIS HD2 H 6.968 0.000 1 486 45 45 HIS HE1 H 8.016 0.000 1 487 45 45 HIS C C 168.452 0.000 1 488 45 45 HIS CA C 55.548 0.000 1 489 45 45 HIS CB C 31.632 0.000 1 490 45 45 HIS CD2 C 112.834 0.000 1 491 45 45 HIS CE1 C 133.033 0.000 1 492 45 45 HIS N N 122.684 0.000 1 493 46 46 ILE H H 7.391 0.000 1 494 46 46 ILE HA H 5.120 0.000 1 495 46 46 ILE HB H 1.215 0.000 1 496 46 46 ILE HG12 H 1.589 0.000 . 497 46 46 ILE HG13 H 1.589 0.000 . 498 46 46 ILE HG2 H 0.493 0.000 . 499 46 46 ILE HD1 H 0.632 0.000 . 500 46 46 ILE C C 170.171 0.000 1 501 46 46 ILE CA C 56.063 0.000 1 502 46 46 ILE CB C 39.753 0.000 1 503 46 46 ILE CG1 C 26.268 0.000 1 504 46 46 ILE CG2 C 13.688 0.000 1 505 46 46 ILE CD1 C 13.665 0.000 1 506 46 46 ILE N N 123.917 0.000 1 507 47 47 TYR H H 9.055 0.000 1 508 47 47 TYR HA H 4.370 0.000 1 509 47 47 TYR HB2 H 2.113 0.000 2 510 47 47 TYR HD1 H 6.963 0.000 3 511 47 47 TYR HD2 H 6.963 0.000 3 512 47 47 TYR HE1 H 6.873 0.000 3 513 47 47 TYR HE2 H 6.814 0.000 3 514 47 47 TYR C C 171.029 0.000 1 515 47 47 TYR CA C 54.800 0.000 1 516 47 47 TYR CB C 39.851 0.000 1 517 47 47 TYR CD1 C 128.709 0.000 3 518 47 47 TYR CD2 C 128.709 0.000 3 519 47 47 TYR CE1 C 113.194 0.000 3 520 47 47 TYR CE2 C 112.858 0.000 3 521 47 47 TYR N N 125.750 0.000 1 522 48 48 VAL H H 8.290 0.000 1 523 48 48 VAL HA H 3.869 0.000 1 524 48 48 VAL HB H 1.609 0.000 1 525 48 48 VAL HG1 H 0.633 0.000 . 526 48 48 VAL HG2 H 0.357 0.000 . 527 48 48 VAL C C 170.949 0.000 1 528 48 48 VAL CA C 59.328 0.000 1 529 48 48 VAL CB C 29.022 0.000 1 530 48 48 VAL CG1 C 18.134 0.000 2 531 48 48 VAL CG2 C 19.165 0.000 2 532 48 48 VAL N N 129.720 0.000 1 533 49 49 ASP H H 8.274 0.000 1 534 49 49 ASP HA H 4.703 0.000 1 535 49 49 ASP HB2 H 3.573 0.000 2 536 49 49 ASP HB3 H 2.664 0.000 2 537 49 49 ASP C C 173.851 0.000 1 538 49 49 ASP CA C 50.349 0.000 1 539 49 49 ASP CB C 38.139 0.000 1 540 49 49 ASP N N 125.287 0.000 1 541 50 50 LYS H H 8.090 0.000 1 542 50 50 LYS HA H 4.096 0.000 1 543 50 50 LYS HB2 H 1.831 0.000 2 544 50 50 LYS HG2 H 1.327 0.000 2 545 50 50 LYS HG3 H 1.126 0.000 2 546 50 50 LYS HD2 H 1.486 0.000 2 547 50 50 LYS HE2 H 2.664 0.000 2 548 50 50 LYS HE3 H 2.784 0.000 2 549 50 50 LYS C C 173.120 0.000 1 550 50 50 LYS CA C 56.284 0.000 1 551 50 50 LYS CB C 29.763 0.000 1 552 50 50 LYS CG C 22.144 0.000 1 553 50 50 LYS CD C 26.555 0.000 1 554 50 50 LYS CE C 39.101 0.000 1 555 50 50 LYS N N 125.099 0.000 1 556 51 51 ASN H H 8.272 0.000 1 557 51 51 ASN HA H 4.931 0.000 1 558 51 51 ASN HB2 H 3.006 0.000 2 559 51 51 ASN HB3 H 2.801 0.000 2 560 51 51 ASN HD21 H 6.958 0.000 2 561 51 51 ASN HD22 H 7.756 0.000 2 562 51 51 ASN C C 172.685 0.000 1 563 51 51 ASN CA C 50.744 0.000 1 564 51 51 ASN CB C 37.036 0.000 1 565 51 51 ASN N N 114.422 0.000 1 566 51 51 ASN ND2 N 113.667 0.000 1 567 52 52 SER H H 7.920 0.000 1 568 52 52 SER HA H 4.410 0.000 1 569 52 52 SER HB2 H 4.267 0.000 2 570 52 52 SER HB3 H 4.200 0.000 2 571 52 52 SER C C 172.628 0.000 1 572 52 52 SER CA C 55.035 0.000 1 573 52 52 SER CB C 61.604 0.000 1 574 52 52 SER N N 115.013 0.000 1 575 53 53 ALA H H 8.837 0.000 1 576 53 53 ALA HA H 4.088 0.000 1 577 53 53 ALA HB H 1.392 0.000 . 578 53 53 ALA C C 175.951 0.000 1 579 53 53 ALA CA C 51.409 0.000 1 580 53 53 ALA CB C 15.878 0.000 1 581 53 53 ALA N N 129.163 0.000 1 582 54 54 GLN H H 7.836 0.000 1 583 54 54 GLN HA H 4.202 0.000 1 584 54 54 GLN HB2 H 2.164 0.000 2 585 54 54 GLN HB3 H 1.830 0.000 2 586 54 54 GLN HG2 H 2.372 0.000 2 587 54 54 GLN HG3 H 2.286 0.000 2 588 54 54 GLN HE21 H 7.515 0.000 2 589 54 54 GLN HE22 H 6.790 0.000 2 590 54 54 GLN C C 173.388 0.000 1 591 54 54 GLN CA C 52.993 0.000 1 592 54 54 GLN CB C 26.360 0.000 1 593 54 54 GLN CG C 31.997 0.000 1 594 54 54 GLN N N 113.081 0.000 1 595 54 54 GLN NE2 N 112.272 0.000 1 596 55 55 GLY H H 7.191 0.000 1 597 55 55 GLY HA2 H 1.799 0.000 2 598 55 55 GLY HA3 H 2.932 0.000 2 599 55 55 GLY CA C 45.087 0.000 1 600 55 55 GLY N N 108.967 0.000 1 601 56 56 ASN H H 7.614 0.000 1 602 56 56 ASN HA H 5.520 0.000 1 603 56 56 ASN HB2 H 2.150 0.000 2 604 56 56 ASN HB3 H 2.781 0.000 2 605 56 56 ASN HD21 H 7.486 0.000 2 606 56 56 ASN HD22 H 6.661 0.000 2 607 56 56 ASN C C 172.166 0.000 1 608 56 56 ASN CA C 50.462 0.000 1 609 56 56 ASN CB C 38.400 0.000 1 610 56 56 ASN N N 114.505 0.000 1 611 56 56 ASN ND2 N 110.609 0.000 1 612 57 57 VAL H H 8.354 0.000 1 613 57 57 VAL HA H 4.692 0.000 1 614 57 57 VAL HB H 1.801 0.000 1 615 57 57 VAL HG1 H 1.005 0.000 . 616 57 57 VAL HG2 H 0.700 0.000 . 617 57 57 VAL C C 170.667 0.000 1 618 57 57 VAL CA C 58.163 0.000 1 619 57 57 VAL CB C 33.663 0.000 1 620 57 57 VAL CG1 C 21.051 0.000 2 621 57 57 VAL CG2 C 18.789 0.000 2 622 57 57 VAL N N 119.859 0.000 1 623 58 58 TYR H H 9.275 0.000 1 624 58 58 TYR HA H 4.937 0.000 1 625 58 58 TYR HB2 H 3.279 0.000 2 626 58 58 TYR HB3 H 2.556 0.000 2 627 58 58 TYR HD1 H 7.178 0.000 3 628 58 58 TYR HD2 H 7.178 0.000 3 629 58 58 TYR HE1 H 6.867 0.000 3 630 58 58 TYR HE2 H 6.867 0.000 3 631 58 58 TYR C C 170.605 0.000 1 632 58 58 TYR CA C 55.354 0.000 1 633 58 58 TYR CB C 37.775 0.000 1 634 58 58 TYR CD1 C 128.164 0.000 3 635 58 58 TYR CD2 C 128.164 0.000 3 636 58 58 TYR CE1 C 112.788 0.000 3 637 58 58 TYR N N 128.478 0.000 1 638 59 59 VAL H H 8.860 0.000 1 639 59 59 VAL HA H 4.462 0.000 1 640 59 59 VAL HB H -0.061 0.000 1 641 59 59 VAL HG1 H 0.299 0.000 . 642 59 59 VAL HG2 H 0.606 0.000 . 643 59 59 VAL C C 170.875 0.000 1 644 59 59 VAL CA C 58.527 0.000 1 645 59 59 VAL CB C 32.611 0.000 1 646 59 59 VAL CG1 C 19.671 0.000 2 647 59 59 VAL CG2 C 21.854 0.000 2 648 59 59 VAL N N 123.117 0.000 1 649 60 60 LYS H H 8.668 0.000 1 650 60 60 LYS HA H 4.745 0.000 1 651 60 60 LYS HB2 H 1.666 0.000 2 652 60 60 LYS HB3 H 1.294 0.000 2 653 60 60 LYS HG2 H 1.058 0.000 2 654 60 60 LYS HE2 H 2.767 0.000 2 655 60 60 LYS HE3 H 3.029 0.000 2 656 60 60 LYS C C 173.399 0.000 1 657 60 60 LYS CA C 52.207 0.000 1 658 60 60 LYS CB C 34.244 0.000 1 659 60 60 LYS CG C 22.144 0.000 1 660 60 60 LYS N N 123.266 0.000 1 661 61 61 CYS H H 9.207 0.000 1 662 61 61 CYS HA H 4.740 0.000 1 663 61 61 CYS HB2 H 2.852 0.000 2 664 61 61 CYS HB3 H 3.268 0.000 2 665 61 61 CYS CA C 56.393 0.000 1 666 61 61 CYS CB C 27.416 0.000 1 667 61 61 CYS N N 125.267 0.000 1 668 62 62 PRO HA H 4.266 0.000 1 669 62 62 PRO HB2 H 2.152 0.000 2 670 62 62 PRO HG2 H 1.843 0.000 2 671 62 62 PRO HG3 H 1.966 0.000 2 672 62 62 PRO HD2 H 3.171 0.000 2 673 62 62 PRO HD3 H 3.561 0.000 2 674 62 62 PRO C C 171.443 0.000 1 675 62 62 PRO CA C 61.167 0.000 1 676 62 62 PRO CB C 29.450 0.000 1 677 62 62 PRO CG C 24.861 0.000 1 678 62 62 PRO CD C 47.875 0.000 1 679 63 63 SER H H 6.990 0.000 1 680 63 63 SER HA H 4.606 0.000 1 681 63 63 SER HB2 H 3.892 0.000 2 682 63 63 SER HB3 H 4.140 0.000 2 683 63 63 SER C C 171.147 0.000 1 684 63 63 SER CA C 53.259 0.000 1 685 63 63 SER CB C 63.378 0.000 1 686 63 63 SER N N 108.558 0.000 1 687 64 64 ILE H H 8.786 0.000 1 688 64 64 ILE HA H 3.462 0.000 1 689 64 64 ILE HB H 1.601 0.000 1 690 64 64 ILE HG12 H 1.645 0.000 2 691 64 64 ILE HG13 H 0.679 0.000 2 692 64 64 ILE HG2 H 0.629 0.000 . 693 64 64 ILE HD1 H 0.820 0.000 . 694 64 64 ILE C C 174.204 0.000 1 695 64 64 ILE CA C 62.955 0.000 1 696 64 64 ILE CB C 35.297 0.000 1 697 64 64 ILE CG1 C 27.380 0.000 1 698 64 64 ILE CG2 C 14.328 0.000 1 699 64 64 ILE CD1 C 10.787 0.000 1 700 64 64 ILE N N 122.885 0.000 1 701 65 65 ALA H H 8.287 0.000 1 702 65 65 ALA HA H 3.890 0.000 1 703 65 65 ALA HB H 1.352 0.000 . 704 65 65 ALA C C 177.926 0.000 1 705 65 65 ALA CA C 52.772 0.000 1 706 65 65 ALA CB C 15.552 0.000 1 707 65 65 ALA N N 120.653 0.000 1 708 66 66 ALA H H 7.952 0.000 1 709 66 66 ALA HA H 4.344 0.000 1 710 66 66 ALA HB H 1.467 0.000 . 711 66 66 ALA C C 176.063 0.000 1 712 66 66 ALA CA C 52.108 0.000 1 713 66 66 ALA CB C 16.106 0.000 1 714 66 66 ALA N N 119.802 0.000 1 715 67 67 ALA H H 7.332 0.000 1 716 67 67 ALA HA H 4.398 0.000 1 717 67 67 ALA HB H 1.818 0.000 . 718 67 67 ALA C C 175.824 0.000 1 719 67 67 ALA CA C 53.135 0.000 1 720 67 67 ALA CB C 17.020 0.000 1 721 67 67 ALA N N 121.626 0.000 1 722 68 68 ILE H H 8.655 0.000 1 723 68 68 ILE HA H 4.185 0.000 1 724 68 68 ILE HB H 1.584 0.000 1 725 68 68 ILE HG12 H 1.689 0.000 2 726 68 68 ILE HG13 H 0.971 0.000 2 727 68 68 ILE HG2 H 0.720 0.000 . 728 68 68 ILE HD1 H 0.601 0.000 . 729 68 68 ILE C C 176.163 0.000 1 730 68 68 ILE CA C 61.323 0.000 1 731 68 68 ILE CB C 36.657 0.000 1 732 68 68 ILE CG1 C 25.803 0.000 1 733 68 68 ILE CG2 C 14.284 0.000 1 734 68 68 ILE CD1 C 12.021 0.000 1 735 68 68 ILE N N 117.793 0.000 1 736 69 69 ALA H H 7.377 0.000 1 737 69 69 ALA HA H 3.836 0.000 1 738 69 69 ALA HB H 1.337 0.000 . 739 69 69 ALA C C 177.325 0.000 1 740 69 69 ALA CA C 51.781 0.000 1 741 69 69 ALA CB C 15.767 0.000 1 742 69 69 ALA N N 119.051 0.000 1 743 70 70 ALA H H 7.798 0.000 1 744 70 70 ALA HA H 3.544 0.000 1 745 70 70 ALA HB H 1.462 0.000 . 746 70 70 ALA C C 176.012 0.000 1 747 70 70 ALA CA C 52.966 0.000 1 748 70 70 ALA CB C 16.740 0.000 1 749 70 70 ALA N N 121.378 0.000 1 750 71 71 VAL H H 8.662 0.000 1 751 71 71 VAL HA H 2.524 0.000 1 752 71 71 VAL HB H 1.812 0.000 1 753 71 71 VAL HG1 H 0.207 0.000 . 754 71 71 VAL HG2 H -0.397 0.000 . 755 71 71 VAL C C 175.408 0.000 1 756 71 71 VAL CA C 64.993 0.000 1 757 71 71 VAL CB C 28.184 0.000 1 758 71 71 VAL CG1 C 17.712 0.000 2 759 71 71 VAL CG2 C 20.798 0.000 2 760 71 71 VAL N N 119.944 0.000 1 761 72 72 ASN H H 8.061 0.000 1 762 72 72 ASN HA H 4.244 0.000 1 763 72 72 ASN HB2 H 2.601 0.000 2 764 72 72 ASN HB3 H 2.690 0.000 2 765 72 72 ASN HD21 H 7.531 0.000 2 766 72 72 ASN HD22 H 6.741 0.000 2 767 72 72 ASN C C 174.490 0.000 1 768 72 72 ASN CA C 52.776 0.000 1 769 72 72 ASN CB C 35.394 0.000 1 770 72 72 ASN N N 114.981 0.000 1 771 72 72 ASN ND2 N 112.391 0.000 1 772 73 73 ALA H H 7.230 0.000 1 773 73 73 ALA HA H 4.162 0.000 1 774 73 73 ALA HB H 1.305 0.000 . 775 73 73 ALA C C 176.245 0.000 1 776 73 73 ALA CA C 51.058 0.000 1 777 73 73 ALA CB C 17.457 0.000 1 778 73 73 ALA N N 120.308 0.000 1 779 74 74 LEU H H 7.856 0.000 1 780 74 74 LEU HA H 4.021 0.000 1 781 74 74 LEU HB2 H 1.494 0.000 2 782 74 74 LEU HB3 H 1.162 0.000 2 783 74 74 LEU HD1 H 0.706 0.000 . 784 74 74 LEU HD2 H 0.762 0.000 . 785 74 74 LEU C C 173.863 0.000 1 786 74 74 LEU CA C 53.853 0.000 1 787 74 74 LEU CB C 41.552 0.000 1 788 74 74 LEU CD1 C 20.387 0.000 2 789 74 74 LEU CD2 C 23.129 0.000 2 790 74 74 LEU N N 118.156 0.000 1 791 75 75 HIS H H 8.434 0.000 1 792 75 75 HIS HA H 3.830 0.000 1 793 75 75 HIS HB2 H 2.813 0.000 2 794 75 75 HIS HB3 H 3.026 0.000 2 795 75 75 HIS HD2 H 6.754 0.000 1 796 75 75 HIS HE1 H 7.684 0.000 1 797 75 75 HIS C C 174.851 0.000 1 798 75 75 HIS CA C 56.621 0.000 1 799 75 75 HIS CB C 28.299 0.000 1 800 75 75 HIS CD2 C 112.841 0.000 1 801 75 75 HIS N N 117.126 0.000 1 802 76 76 GLY H H 8.418 0.000 1 803 76 76 GLY HA2 H 3.290 0.000 2 804 76 76 GLY HA3 H 3.909 0.000 2 805 76 76 GLY CA C 42.221 0.000 1 806 76 76 GLY N N 116.761 0.000 1 807 77 77 ARG H H 7.385 0.000 1 808 77 77 ARG HA H 4.248 0.000 1 809 77 77 ARG HB3 H 1.833 0.000 2 810 77 77 ARG HG2 H 1.596 0.000 2 811 77 77 ARG HG3 H 1.755 0.000 2 812 77 77 ARG HD2 H 3.090 0.000 2 813 77 77 ARG HD3 H 3.188 0.000 2 814 77 77 ARG C C 173.536 0.000 1 815 77 77 ARG CA C 53.029 0.000 1 816 77 77 ARG CB C 29.058 0.000 1 817 77 77 ARG CG C 24.777 0.000 1 818 77 77 ARG CD C 41.143 0.000 1 819 77 77 ARG N N 120.430 0.000 1 820 78 78 TRP H H 8.463 0.000 1 821 78 78 TRP HA H 4.941 0.000 1 822 78 78 TRP HB2 H 2.929 0.000 2 823 78 78 TRP HB3 H 3.035 0.000 2 824 78 78 TRP HD1 H 7.178 0.000 1 825 78 78 TRP HE1 H 9.938 0.000 1 826 78 78 TRP HE3 H 7.031 0.000 1 827 78 78 TRP HZ2 H 7.329 0.000 1 828 78 78 TRP HZ3 H 7.068 0.000 1 829 78 78 TRP HH2 H 6.905 0.000 1 830 78 78 TRP C C 173.888 0.000 1 831 78 78 TRP CA C 54.234 0.000 1 832 78 78 TRP CB C 26.923 0.000 1 833 78 78 TRP CD1 C 122.476 0.000 1 834 78 78 TRP CE3 C 114.954 0.000 1 835 78 78 TRP CZ2 C 109.577 0.000 1 836 78 78 TRP CZ3 C 119.561 0.000 1 837 78 78 TRP CH2 C 117.027 0.000 1 838 78 78 TRP N N 122.989 0.000 1 839 78 78 TRP NE1 N 128.789 0.000 1 840 79 79 PHE H H 9.500 0.000 1 841 79 79 PHE HA H 4.637 0.000 1 842 79 79 PHE HB2 H 2.825 0.000 2 843 79 79 PHE HB3 H 2.979 0.000 2 844 79 79 PHE HD1 H 7.211 0.000 3 845 79 79 PHE HD2 H 7.211 0.000 3 846 79 79 PHE HE1 H 7.281 0.000 3 847 79 79 PHE HE2 H 7.281 0.000 3 848 79 79 PHE HZ H 7.201 0.000 1 849 79 79 PHE C C 171.696 0.000 1 850 79 79 PHE CA C 54.624 0.000 1 851 79 79 PHE CB C 39.577 0.000 1 852 79 79 PHE CD1 C 127.329 0.000 3 853 79 79 PHE CD2 C 127.329 0.000 3 854 79 79 PHE CE1 C 126.838 0.000 3 855 79 79 PHE CE2 C 126.838 0.000 3 856 79 79 PHE CZ C 124.910 0.000 1 857 79 79 PHE N N 126.899 0.000 1 858 80 80 ALA H H 8.840 0.000 1 859 80 80 ALA HA H 3.705 0.000 1 860 80 80 ALA HB H 0.955 0.000 . 861 80 80 ALA C C 174.560 0.000 1 862 80 80 ALA CA C 49.993 0.000 1 863 80 80 ALA CB C 14.479 0.000 1 864 80 80 ALA N N 130.285 0.000 1 865 81 81 GLY H H 8.268 0.000 1 866 81 81 GLY HA2 H 4.077 0.000 2 867 81 81 GLY HA3 H 3.584 0.000 2 868 81 81 GLY C C 171.087 0.000 1 869 81 81 GLY CA C 42.891 0.000 1 870 81 81 GLY N N 102.771 0.000 1 871 82 82 LYS H H 7.791 0.000 1 872 82 82 LYS HA H 4.469 0.000 1 873 82 82 LYS HB2 H 1.681 0.000 2 874 82 82 LYS HB3 H 1.798 0.000 2 875 82 82 LYS HG3 H 1.291 0.000 2 876 82 82 LYS HE2 H 2.790 0.000 2 877 82 82 LYS C C 170.688 0.000 1 878 82 82 LYS CA C 52.029 0.000 1 879 82 82 LYS CB C 32.776 0.000 1 880 82 82 LYS CG C 21.827 0.000 1 881 82 82 LYS CE C 39.448 0.000 1 882 82 82 LYS N N 120.307 0.000 1 883 83 83 MET H H 7.953 0.000 1 884 83 83 MET HA H 3.871 0.000 1 885 83 83 MET HB2 H 1.307 0.000 2 886 83 83 MET HB3 H 0.436 0.000 2 887 83 83 MET HG2 H 1.577 0.000 2 888 83 83 MET HG3 H 1.229 0.000 2 889 83 83 MET HE H 1.641 0.000 . 890 83 83 MET C C 173.474 0.000 1 891 83 83 MET CA C 51.968 0.000 1 892 83 83 MET CB C 30.275 0.000 1 893 83 83 MET CG C 28.478 0.000 1 894 83 83 MET CE C 14.047 0.000 1 895 83 83 MET N N 121.212 0.000 1 896 84 84 ILE H H 8.683 0.000 1 897 84 84 ILE HA H 4.230 0.000 1 898 84 84 ILE HB H 1.971 0.000 1 899 84 84 ILE HG12 H 1.215 0.000 2 900 84 84 ILE HG13 H 1.483 0.000 2 901 84 84 ILE HG2 H 0.801 0.000 . 902 84 84 ILE HD1 H 0.688 0.000 . 903 84 84 ILE C C 173.459 0.000 1 904 84 84 ILE CA C 58.832 0.000 1 905 84 84 ILE CB C 36.088 0.000 1 906 84 84 ILE CG1 C 24.843 0.000 1 907 84 84 ILE CG2 C 16.410 0.000 1 908 84 84 ILE CD1 C 11.679 0.000 1 909 84 84 ILE N N 128.512 0.000 1 910 85 85 THR H H 7.318 0.000 1 911 85 85 THR HA H 4.825 0.000 1 912 85 85 THR HB H 4.102 0.000 1 913 85 85 THR HG2 H 0.926 0.000 . 914 85 85 THR CA C 56.520 0.000 1 915 85 85 THR CB C 68.803 0.000 1 916 85 85 THR CG2 C 18.873 0.000 1 917 85 85 THR N N 115.456 0.000 1 918 86 86 ALA H H 10.712 0.000 1 919 86 86 ALA HA H 5.542 0.000 1 920 86 86 ALA HB H 1.054 0.000 . 921 86 86 ALA C C 173.070 0.000 1 922 86 86 ALA CA C 47.491 0.000 1 923 86 86 ALA CB C 22.241 0.000 1 924 86 86 ALA N N 128.004 0.000 1 925 87 87 ALA H H 8.413 0.000 1 926 87 87 ALA HA H 4.499 0.000 1 927 87 87 ALA HB H 1.262 0.000 . 928 87 87 ALA C C 173.781 0.000 1 929 87 87 ALA CA C 47.989 0.000 1 930 87 87 ALA CB C 19.981 0.000 1 931 87 87 ALA N N 122.902 0.000 1 932 88 88 TYR H H 8.311 0.000 1 933 88 88 TYR HA H 4.723 0.000 1 934 88 88 TYR HB2 H 3.282 0.000 2 935 88 88 TYR HB3 H 2.585 0.000 2 936 88 88 TYR HD1 H 7.233 0.000 3 937 88 88 TYR HD2 H 7.233 0.000 3 938 88 88 TYR HE1 H 6.564 0.000 3 939 88 88 TYR HE2 H 6.564 0.000 3 940 88 88 TYR C C 173.615 0.000 1 941 88 88 TYR CA C 57.556 0.000 1 942 88 88 TYR CB C 36.474 0.000 1 943 88 88 TYR CD1 C 128.341 0.000 3 944 88 88 TYR CD2 C 128.341 0.000 3 945 88 88 TYR CE1 C 113.789 0.000 3 946 88 88 TYR CE2 C 113.789 0.000 3 947 88 88 TYR N N 120.267 0.000 1 948 89 89 VAL H H 8.420 0.000 1 949 89 89 VAL HA H 4.696 0.000 1 950 89 89 VAL HB H 1.807 0.000 1 951 89 89 VAL HG1 H 1.103 0.000 . 952 89 89 VAL HG2 H 1.244 0.000 . 953 89 89 VAL CA C 55.899 0.000 1 954 89 89 VAL CB C 33.445 0.000 1 955 89 89 VAL CG1 C 18.958 0.000 2 956 89 89 VAL CG2 C 18.236 0.000 2 957 89 89 VAL N N 123.298 0.000 1 958 90 90 PRO HA H 4.450 0.000 1 959 90 90 PRO HB2 H 1.870 0.000 2 960 90 90 PRO HG2 H 2.157 0.000 2 961 90 90 PRO HG3 H 2.157 0.000 2 962 90 90 PRO HD2 H 3.990 0.000 2 963 90 90 PRO HD3 H 3.543 0.000 2 964 90 90 PRO CA C 60.310 0.000 1 965 90 90 PRO CB C 30.489 0.000 1 966 90 90 PRO CG C 25.663 0.000 1 967 90 90 PRO CD C 49.130 0.000 1 968 91 91 LEU H H 8.997 0.000 1 969 91 91 LEU HA H 3.975 0.000 1 970 91 91 LEU HB2 H 1.588 0.000 2 971 91 91 LEU HB3 H 1.588 0.000 2 972 91 91 LEU HG H 1.215 0.000 1 973 91 91 LEU HD1 H 0.818 0.000 . 974 91 91 LEU HD2 H 0.699 0.000 . 975 91 91 LEU CA C 56.691 0.000 1 976 91 91 LEU CB C 37.139 0.000 1 977 91 91 LEU CG C 24.703 0.000 1 978 91 91 LEU CD1 C 22.243 0.000 2 979 91 91 LEU CD2 C 22.263 0.000 2 980 91 91 LEU N N 126.649 0.000 1 981 92 92 PRO HA H 4.211 0.000 1 982 92 92 PRO HB2 H 2.264 0.000 2 983 92 92 PRO HB3 H 1.798 0.000 2 984 92 92 PRO HG2 H 1.923 0.000 2 985 92 92 PRO HG3 H 2.021 0.000 2 986 92 92 PRO HD2 H 3.527 0.000 2 987 92 92 PRO HD3 H 3.738 0.000 2 988 92 92 PRO C C 177.175 0.000 1 989 92 92 PRO CA C 63.104 0.000 1 990 92 92 PRO CB C 27.973 0.000 1 991 92 92 PRO CG C 26.007 0.000 1 992 92 92 PRO CD C 47.464 0.000 1 993 93 93 THR H H 6.528 0.000 1 994 93 93 THR HA H 3.827 0.000 1 995 93 93 THR HB H 4.131 0.000 1 996 93 93 THR HG2 H 1.105 0.000 . 997 93 93 THR C C 172.669 0.000 1 998 93 93 THR CA C 63.096 0.000 1 999 93 93 THR CB C 65.968 0.000 1 1000 93 93 THR CG2 C 18.741 0.000 1 1001 93 93 THR N N 112.839 0.000 1 1002 94 94 TYR H H 8.263 0.000 1 1003 94 94 TYR HA H 3.515 0.000 1 1004 94 94 TYR HB2 H 2.595 0.000 2 1005 94 94 TYR HB3 H 2.978 0.000 2 1006 94 94 TYR HD1 H 6.773 0.000 3 1007 94 94 TYR HD2 H 6.773 0.000 3 1008 94 94 TYR C C 174.953 0.000 1 1009 94 94 TYR CA C 60.012 0.000 1 1010 94 94 TYR CB C 37.588 0.000 1 1011 94 94 TYR CD1 C 127.954 0.000 3 1012 94 94 TYR CD2 C 127.954 0.000 3 1013 94 94 TYR N N 125.195 0.000 1 1014 95 95 HIS H H 8.529 0.000 1 1015 95 95 HIS HA H 4.187 0.000 1 1016 95 95 HIS HB2 H 3.024 0.000 2 1017 95 95 HIS HB3 H 3.024 0.000 2 1018 95 95 HIS C C 173.780 0.000 1 1019 95 95 HIS CA C 53.471 0.000 1 1020 95 95 HIS CB C 26.528 0.000 1 1021 95 95 HIS N N 114.994 0.000 1 1022 96 96 ASN H H 7.343 0.000 1 1023 96 96 ASN HA H 4.315 0.000 1 1024 96 96 ASN HB2 H 2.753 0.000 2 1025 96 96 ASN HB3 H 2.627 0.000 2 1026 96 96 ASN HD21 H 6.703 0.000 . 1027 96 96 ASN HD22 H 6.703 0.000 . 1028 96 96 ASN C C 175.849 0.000 1 1029 96 96 ASN CA C 52.814 0.000 1 1030 96 96 ASN CB C 36.453 0.000 1 1031 96 96 ASN N N 116.599 0.000 1 1032 96 96 ASN ND2 N 112.153 0.000 1 1033 97 97 LEU H H 7.299 0.000 1 1034 97 97 LEU HA H 3.406 0.000 1 1035 97 97 LEU HB2 H -0.502 0.000 2 1036 97 97 LEU HB3 H 0.788 0.000 2 1037 97 97 LEU HG H 1.105 0.000 1 1038 97 97 LEU HD1 H 0.297 0.000 . 1039 97 97 LEU CA C 54.399 0.000 1 1040 97 97 LEU CB C 39.614 0.000 1 1041 97 97 LEU CG C 23.489 0.000 1 1042 97 97 LEU CD1 C 19.562 0.000 2 1043 97 97 LEU N N 119.316 0.000 1 1044 98 98 PHE H H 7.795 0.000 1 1045 98 98 PHE HA H 4.696 0.000 1 1046 98 98 PHE HB2 H 2.370 0.000 2 1047 98 98 PHE HB3 H 2.484 0.000 2 1048 98 98 PHE HD1 H 6.014 0.000 3 1049 98 98 PHE HD2 H 6.014 0.000 3 1050 98 98 PHE HE1 H 5.762 0.000 3 1051 98 98 PHE HE2 H 5.762 0.000 3 1052 98 98 PHE HZ H 5.923 0.000 1 1053 98 98 PHE CA C 54.399 0.000 1 1054 98 98 PHE CB C 35.380 0.000 1 1055 98 98 PHE CD1 C 132.118 0.000 3 1056 98 98 PHE CD2 C 129.000 0.000 3 1057 98 98 PHE CE2 C 126.011 0.000 3 1058 98 98 PHE CZ C 123.448 0.000 1 1059 98 98 PHE N N 113.688 0.000 1 1060 99 99 PRO HA H 4.430 0.000 1 1061 99 99 PRO HB2 H 2.290 0.000 2 1062 99 99 PRO HB3 H 1.862 0.000 2 1063 99 99 PRO HG3 H 1.941 0.000 2 1064 99 99 PRO HD2 H 3.175 0.000 2 1065 99 99 PRO HD3 H 3.561 0.000 2 1066 99 99 PRO C C 176.469 0.000 1 1067 99 99 PRO CA C 63.174 0.000 1 1068 99 99 PRO CB C 28.822 0.000 1 1069 99 99 PRO CG C 24.856 0.000 1 1070 99 99 PRO CD C 47.283 0.000 1 1071 100 100 ASP H H 8.897 0.000 1 1072 100 100 ASP HA H 4.306 0.000 1 1073 100 100 ASP HB2 H 2.689 0.000 2 1074 100 100 ASP HB3 H 2.556 0.000 2 1075 100 100 ASP C C 174.886 0.000 1 1076 100 100 ASP CA C 53.064 0.000 1 1077 100 100 ASP CB C 36.736 0.000 1 1078 100 100 ASP N N 115.482 0.000 1 1079 101 101 SER H H 8.057 0.000 1 1080 101 101 SER HA H 3.876 0.000 1 1081 101 101 SER HB2 H 2.515 0.000 2 1082 101 101 SER HB3 H 3.562 0.000 2 1083 101 101 SER C C 173.539 0.000 1 1084 101 101 SER CA C 58.183 0.000 1 1085 101 101 SER CB C 61.403 0.000 1 1086 101 101 SER N N 114.743 0.000 1 1087 102 102 MET H H 7.319 0.000 1 1088 102 102 MET HA H 3.340 0.000 1 1089 102 102 MET HB2 H 1.829 0.000 2 1090 102 102 MET HB3 H 1.670 0.000 2 1091 102 102 MET HG2 H 2.016 0.000 2 1092 102 102 MET HG3 H 1.363 0.000 2 1093 102 102 MET HE H 1.913 0.000 . 1094 102 102 MET C C 174.488 0.000 1 1095 102 102 MET CA C 56.606 0.000 1 1096 102 102 MET CB C 31.312 0.000 1 1097 102 102 MET CG C 28.964 0.000 1 1098 102 102 MET CE C 14.041 0.000 1 1099 102 102 MET N N 122.103 0.000 1 1100 103 103 THR H H 7.216 0.000 1 1101 103 103 THR HA H 4.318 0.000 1 1102 103 103 THR HB H 4.438 0.000 1 1103 103 103 THR HG2 H 1.010 0.000 . 1104 103 103 THR C C 171.121 0.000 1 1105 103 103 THR CA C 57.203 0.000 1 1106 103 103 THR CB C 65.753 0.000 1 1107 103 103 THR CG2 C 18.967 0.000 1 1108 103 103 THR N N 104.780 0.000 1 1109 104 104 ALA H H 6.605 0.000 1 1110 104 104 ALA HA H 4.347 0.000 1 1111 104 104 ALA HB H 1.418 0.000 . 1112 104 104 ALA C C 174.370 0.000 1 1113 104 104 ALA CA C 50.244 0.000 1 1114 104 104 ALA CB C 16.077 0.000 1 1115 104 104 ALA N N 125.795 0.000 1 1116 105 105 THR H H 8.698 0.000 1 1117 105 105 THR HA H 4.390 0.000 1 1118 105 105 THR HB H 4.194 0.000 1 1119 105 105 THR HG2 H 1.071 0.000 . 1120 105 105 THR C C 171.563 0.000 1 1121 105 105 THR CA C 58.977 0.000 1 1122 105 105 THR CB C 68.537 0.000 1 1123 105 105 THR CG2 C 18.729 0.000 1 1124 105 105 THR N N 111.482 0.000 1 1125 106 106 GLN H H 7.944 0.000 1 1126 106 106 GLN HA H 4.294 0.000 1 1127 106 106 GLN HB2 H 1.949 0.000 2 1128 106 106 GLN HB3 H 1.949 0.000 2 1129 106 106 GLN HG2 H 2.341 0.000 2 1130 106 106 GLN HG3 H 2.341 0.000 2 1131 106 106 GLN HE21 H 6.810 0.000 2 1132 106 106 GLN HE22 H 7.457 0.000 2 1133 106 106 GLN C C 172.973 0.000 1 1134 106 106 GLN CA C 52.710 0.000 1 1135 106 106 GLN CB C 27.282 0.000 1 1136 106 106 GLN CG C 31.046 0.000 1 1137 106 106 GLN N N 123.003 0.000 1 1138 106 106 GLN NE2 N 112.668 0.000 1 1139 107 107 LEU H H 8.390 0.000 1 1140 107 107 LEU HA H 4.328 0.000 1 1141 107 107 LEU HB2 H 1.567 0.000 2 1142 107 107 LEU HB3 H 1.760 0.000 2 1143 107 107 LEU HG H 1.722 0.000 1 1144 107 107 LEU HD1 H 0.816 0.000 . 1145 107 107 LEU HD2 H 0.900 0.000 . 1146 107 107 LEU C C 174.110 0.000 1 1147 107 107 LEU CA C 52.798 0.000 1 1148 107 107 LEU CB C 37.829 0.000 1 1149 107 107 LEU CG C 24.878 0.000 1 1150 107 107 LEU CD1 C 20.455 0.000 2 1151 107 107 LEU CD2 C 22.835 0.000 2 1152 107 107 LEU N N 124.765 0.000 1 1153 108 108 LEU H H 8.480 0.000 1 1154 108 108 LEU HA H 4.259 0.000 1 1155 108 108 LEU HB2 H 1.266 0.000 2 1156 108 108 LEU HB3 H 1.451 0.000 2 1157 108 108 LEU HG H 1.594 0.000 1 1158 108 108 LEU HD1 H 0.593 0.000 . 1159 108 108 LEU HD2 H 0.764 0.000 . 1160 108 108 LEU C C 173.870 0.000 1 1161 108 108 LEU CA C 52.092 0.000 1 1162 108 108 LEU CB C 39.253 0.000 1 1163 108 108 LEU CG C 24.228 0.000 1 1164 108 108 LEU CD1 C 23.237 0.000 2 1165 108 108 LEU CD2 C 19.151 0.000 2 1166 108 108 LEU N N 122.332 0.000 1 1167 109 109 VAL H H 8.007 0.000 1 1168 109 109 VAL HA H 4.444 0.000 1 1169 109 109 VAL HB H 1.987 0.000 1 1170 109 109 VAL HG1 H 0.871 0.000 . 1171 109 109 VAL HG2 H 0.766 0.000 . 1172 109 109 VAL CA C 55.640 0.000 1 1173 109 109 VAL CB C 31.153 0.000 1 1174 109 109 VAL CG1 C 18.551 0.000 2 1175 109 109 VAL CG2 C 16.524 0.000 2 1176 109 109 VAL N N 115.421 0.000 1 1177 110 110 PRO HA H 4.361 0.000 1 1178 110 110 PRO HB2 H 2.024 0.000 2 1179 110 110 PRO HB3 H 2.024 0.000 2 1180 110 110 PRO HG2 H 1.695 0.000 2 1181 110 110 PRO HG3 H 2.062 0.000 2 1182 110 110 PRO HD2 H 3.555 0.000 2 1183 110 110 PRO HD3 H 3.490 0.000 2 1184 110 110 PRO C C 173.778 0.000 1 1185 110 110 PRO CA C 59.737 0.000 1 1186 110 110 PRO CB C 29.710 0.000 1 1187 110 110 PRO CG C 25.050 0.000 1 1188 110 110 PRO CD C 48.103 0.000 1 1189 111 111 SER H H 9.945 0.000 1 1190 111 111 SER HA H 4.139 0.000 1 1191 111 111 SER HB2 H 3.828 0.000 2 1192 111 111 SER HB3 H 3.866 0.000 2 1193 111 111 SER C C 172.475 0.000 1 1194 111 111 SER CA C 57.674 0.000 1 1195 111 111 SER CB C 60.580 0.000 1 1196 111 111 SER N N 120.434 0.000 1 1197 112 112 ARG H H 7.861 0.000 1 1198 112 112 ARG HA H 4.253 0.000 1 1199 112 112 ARG HB2 H 1.737 0.000 2 1200 112 112 ARG HB3 H 1.765 0.000 2 1201 112 112 ARG HG2 H 1.474 0.000 2 1202 112 112 ARG HD2 H 3.093 0.000 2 1203 112 112 ARG HD3 H 3.093 0.000 2 1204 112 112 ARG C C 172.216 0.000 1 1205 112 112 ARG CA C 53.071 0.000 1 1206 112 112 ARG CB C 27.963 0.000 1 1207 112 112 ARG CG C 24.071 0.000 1 1208 112 112 ARG CD C 41.115 0.000 1 1209 112 112 ARG N N 121.013 0.000 1 1210 113 113 ARG H H 7.679 0.000 1 1211 113 113 ARG HA H 4.083 0.000 1 1212 113 113 ARG HB2 H 1.757 0.000 2 1213 113 113 ARG HG3 H 1.584 0.000 2 1214 113 113 ARG CA C 54.268 0.000 1 1215 113 113 ARG CB C 29.023 0.000 1 1216 113 113 ARG CG C 28.987 0.000 1 1217 113 113 ARG CD C 41.246 0.000 1 1218 113 113 ARG N N 126.950 0.000 1 stop_ save_