data_19642 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the first RRM domain of the protein RBM39 from homo sapiens ; _BMRB_accession_number 19642 _BMRB_flat_file_name bmr19642.str _Entry_type original _Submission_date 2013-12-02 _Accession_date 2013-12-02 _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 Geralt Michael . . 3 Dutta Samit K. . 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" 523 "13C chemical shifts" 385 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-20 original author . stop_ _Original_release_date 2013-12-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the first RRM domain of the protein RBM39 from homo sapiens' _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 Wuthrich Kurt . . 3 Geralt Michael . . 4 Dutta Samit K. . 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_RRM1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 10574.261 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; GHMNLTPEERDARTVFCMQL AARIRPRDLEEFFSTVGKVR DVRMISDRNSRRSKGIAYVE FVDVSSVPLAIGLTGQRVLG VPIIVQASQAEKNRRRSKGI AYVEFVDVSSVPLAIGLTGQ RVLGVPIIVQASQAEKNRVP IIVQASQAEKNR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 HIS 3 3 MET 4 4 ASN 5 5 LEU 6 6 THR 7 7 PRO 8 8 GLU 9 9 GLU 10 10 ARG 11 11 ASP 12 12 ALA 13 13 ARG 14 14 THR 15 15 VAL 16 16 PHE 17 17 CYS 18 18 MET 19 19 GLN 20 20 LEU 21 21 ALA 22 22 ALA 23 23 ARG 24 24 ILE 25 25 ARG 26 26 PRO 27 27 ARG 28 28 ASP 29 29 LEU 30 30 GLU 31 31 GLU 32 32 PHE 33 33 PHE 34 34 SER 35 35 THR 36 36 VAL 37 37 GLY 38 38 LYS 39 39 VAL 40 40 ARG 41 41 ASP 42 42 VAL 43 43 ARG 44 44 MET 45 45 ILE 46 46 SER 47 47 ASP 48 48 ARG 49 49 ASN 50 50 SER 51 51 ARG 52 52 ARG 53 53 SER 54 54 LYS 55 55 GLY 56 56 ILE 57 57 ALA 58 58 TYR 59 59 VAL 60 60 GLU 61 61 PHE 62 62 VAL 63 63 ASP 64 64 VAL 65 65 SER 66 66 SER 67 67 VAL 68 68 PRO 69 69 LEU 70 70 ALA 71 71 ILE 72 72 GLY 73 73 LEU 74 74 THR 75 75 GLY 76 76 GLN 77 77 ARG 78 78 VAL 79 79 LEU 80 80 GLY 81 81 VAL 82 82 PRO 83 83 ILE 84 84 ILE 85 85 VAL 86 86 GLN 87 87 ALA 88 88 SER 89 89 GLN 90 90 ALA 91 91 GLU 92 92 LYS 93 93 ASN 94 94 ARG 95 95 ARG 96 96 ARG 97 97 SER 98 98 LYS 99 99 GLY 100 100 ILE 101 101 ALA 102 102 TYR 103 103 VAL 104 104 GLU 105 105 PHE 106 106 VAL 107 107 ASP 108 108 VAL 109 109 SER 110 110 SER 111 111 VAL 112 112 PRO 113 113 LEU 114 114 ALA 115 115 ILE 116 116 GLY 117 117 LEU 118 118 THR 119 119 GLY 120 120 GLN 121 121 ARG 122 122 VAL 123 123 LEU 124 124 GLY 125 125 VAL 126 126 PRO 127 127 ILE 128 128 ILE 129 129 VAL 130 130 GLN 131 131 ALA 132 132 SER 133 133 GLN 134 134 ALA 135 135 GLU 136 136 LYS 137 137 ASN 138 138 ARG 139 139 VAL 140 140 PRO 141 141 ILE 142 142 ILE 143 143 VAL 144 144 GLN 145 145 ALA 146 146 SER 147 147 GLN 148 148 ALA 149 149 GLU 150 150 LYS 151 151 ASN 152 152 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MHN "Nmr Structure Of The First Rrm Domain Of The Protein Rbm39 From Homo Sapiens" 61.84 94 100.00 100.00 7.43e-60 PDB 4YUD "Crystal Structure Of A Rna Binding Motif Protein 39 (rbm39) From Homo Sapiens At 1.28 A Resolution" 59.87 92 100.00 100.00 1.47e-56 DBJ BAE22477 "unnamed protein product [Mus musculus]" 59.87 521 100.00 100.00 8.65e-53 DBJ BAE27657 "unnamed protein product [Mus musculus]" 59.87 530 100.00 100.00 9.26e-53 DBJ BAE32977 "unnamed protein product [Mus musculus]" 59.87 524 100.00 100.00 9.36e-53 DBJ BAG54289 "unnamed protein product [Homo sapiens]" 59.87 506 100.00 100.00 8.88e-53 DBJ BAG59582 "unnamed protein product [Homo sapiens]" 59.87 503 100.00 100.00 7.07e-53 EMBL CAD97833 "hypothetical protein [Homo sapiens]" 50.66 373 100.00 100.00 3.87e-42 EMBL CAE45833 "hypothetical protein [Homo sapiens]" 50.66 367 100.00 100.00 3.27e-42 EMBL CAE45890 "hypothetical protein [Homo sapiens]" 50.66 373 98.70 100.00 6.68e-42 EMBL CAH18281 "hypothetical protein [Homo sapiens]" 59.87 513 100.00 100.00 7.68e-53 EMBL CAH90627 "hypothetical protein [Pongo abelii]" 59.87 524 100.00 100.00 6.71e-53 GB AAA16346 "splicing factor [Homo sapiens]" 59.87 524 100.00 100.00 6.71e-53 GB AAA16347 "splicing factor [Homo sapiens]" 59.87 530 100.00 100.00 8.98e-53 GB AAH04000 "Rbm39 protein, partial [Mus musculus]" 59.87 429 100.00 100.00 2.08e-53 GB AAH30493 "Rbm39 protein [Mus musculus]" 50.66 367 100.00 100.00 3.27e-42 GB AAH82607 "Rbm39 protein [Mus musculus]" 50.66 367 100.00 100.00 3.27e-42 REF NP_001013225 "RNA-binding protein 39 [Rattus norvegicus]" 59.87 524 100.00 100.00 9.36e-53 REF NP_001125339 "RNA-binding protein 39 [Pongo abelii]" 59.87 524 100.00 100.00 6.71e-53 REF NP_001162566 "RNA-binding protein 39 [Papio anubis]" 59.87 530 100.00 100.00 8.98e-53 REF NP_001164806 "RNA-binding protein 39 [Oryctolagus cuniculus]" 59.87 530 100.00 100.00 8.98e-53 REF NP_001193433 "RNA-binding protein 39 [Bos taurus]" 59.87 530 100.00 100.00 7.92e-53 SP Q14498 "RecName: Full=RNA-binding protein 39; AltName: Full=CAPER alpha; AltName: Full=Hepatocellular carcinoma protein 1; AltName: Ful" 59.87 530 100.00 100.00 8.98e-53 SP Q5RC80 "RecName: Full=RNA-binding protein 39; AltName: Full=RNA-binding motif protein 39" 59.87 524 100.00 100.00 6.71e-53 SP Q8VH51 "RecName: Full=RNA-binding protein 39; AltName: Full=Coactivator of activating protein 1 and estrogen receptors; Short=Coactivat" 59.87 530 100.00 100.00 9.26e-53 TPG DAA23046 "TPA: RNA binding motif protein 39 [Bos taurus]" 59.87 524 100.00 100.00 6.71e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 _Variant _Vector_name $entity '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 $entity 0.6 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium acetate' 10 mM '[U-99% 2H]' 'sodium azide' 5 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . stop_ loop_ _Task refinement 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing 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-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.220 . M pH 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' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '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 entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.857 0.000 . 2 1 1 GLY HA3 H 3.857 0.000 . 3 1 1 GLY CA C 43.303 0.000 . 4 2 2 HIS HA H 4.693 0.000 . 5 2 2 HIS HB2 H 3.145 0.000 . 6 2 2 HIS HB3 H 3.183 0.000 . 7 2 2 HIS HD2 H 7.134 0.000 . 8 2 2 HIS HE1 H 8.192 0.000 . 9 2 2 HIS C C 175.244 0.000 . 10 2 2 HIS CA C 55.849 0.000 . 11 2 2 HIS CB C 30.165 0.000 . 12 2 2 HIS CD2 C 116.910 0.000 . 13 2 2 HIS CE1 C 134.805 0.000 . 14 3 3 MET HA H 4.464 0.000 . 15 3 3 MET HB2 H 2.055 0.000 . 16 3 3 MET HB3 H 2.055 0.000 . 17 3 3 MET HE H 2.095 0.000 . 18 3 3 MET C C 175.896 0.000 . 19 3 3 MET CA C 55.188 0.000 . 20 3 3 MET CB C 32.736 0.000 . 21 3 3 MET CE C 16.700 0.000 . 22 4 4 ASN H H 8.564 0.000 . 23 4 4 ASN HA H 4.752 0.000 . 24 4 4 ASN HB2 H 2.805 0.000 . 25 4 4 ASN HB3 H 2.703 0.000 . 26 4 4 ASN HD21 H 7.607 0.000 . 27 4 4 ASN HD22 H 6.942 0.000 . 28 4 4 ASN C C 175.033 0.000 . 29 4 4 ASN CA C 52.728 0.000 . 30 4 4 ASN CB C 38.604 0.000 . 31 4 4 ASN N N 120.610 0.000 . 32 4 4 ASN ND2 N 112.845 0.000 . 33 5 5 LEU H H 8.046 0.000 . 34 5 5 LEU HA H 4.610 0.000 . 35 5 5 LEU HB2 H 1.592 0.000 . 36 5 5 LEU HB3 H 1.543 0.000 . 37 5 5 LEU HG H 1.661 0.000 . 38 5 5 LEU HD1 H 0.850 0.000 . 39 5 5 LEU HD2 H 0.816 0.000 . 40 5 5 LEU C C 178.178 0.000 . 41 5 5 LEU CA C 54.305 0.000 . 42 5 5 LEU CB C 43.343 0.000 . 43 5 5 LEU CG C 26.928 0.000 . 44 5 5 LEU CD1 C 25.840 0.000 . 45 5 5 LEU CD2 C 22.938 0.000 . 46 5 5 LEU N N 122.314 0.000 . 47 6 6 THR H H 8.948 0.000 . 48 6 6 THR HA H 4.626 0.000 . 49 6 6 THR HB H 4.702 0.000 . 50 6 6 THR HG2 H 1.368 0.000 . 51 6 6 THR CA C 60.039 0.000 . 52 6 6 THR CB C 68.119 0.000 . 53 6 6 THR CG2 C 21.908 0.000 . 54 6 6 THR N N 115.483 0.000 . 55 7 7 PRO HA H 4.143 0.000 . 56 7 7 PRO HB2 H 2.365 0.000 . 57 7 7 PRO HB3 H 1.909 0.000 . 58 7 7 PRO HG2 H 2.387 0.000 . 59 7 7 PRO HG3 H 2.387 0.000 . 60 7 7 PRO HD2 H 3.870 0.000 . 61 7 7 PRO HD3 H 3.943 0.000 . 62 7 7 PRO CA C 65.573 0.000 . 63 7 7 PRO CB C 31.640 0.000 . 64 7 7 PRO CG C 28.155 0.000 . 65 7 7 PRO CD C 49.749 0.000 . 66 8 8 GLU H H 8.753 0.000 . 67 8 8 GLU HA H 4.111 0.000 . 68 8 8 GLU HB2 H 1.968 0.000 . 69 8 8 GLU HB3 H 2.061 0.000 . 70 8 8 GLU HG2 H 2.319 0.000 . 71 8 8 GLU HG3 H 2.435 0.000 . 72 8 8 GLU CA C 59.572 0.000 . 73 8 8 GLU CB C 28.889 0.000 . 74 8 8 GLU CG C 36.689 0.000 . 75 8 8 GLU N N 116.691 0.000 . 76 9 9 GLU H H 7.823 0.000 . 77 9 9 GLU HA H 4.041 0.000 . 78 9 9 GLU HB2 H 1.977 0.000 . 79 9 9 GLU HB3 H 2.363 0.000 . 80 9 9 GLU HG2 H 2.437 0.000 . 81 9 9 GLU HG3 H 2.272 0.000 . 82 9 9 GLU C C 180.194 0.000 . 83 9 9 GLU CA C 58.527 0.000 . 84 9 9 GLU CB C 30.566 0.000 . 85 9 9 GLU CG C 37.179 0.000 . 86 9 9 GLU N N 121.235 0.000 . 87 10 10 ARG H H 8.363 0.000 . 88 10 10 ARG HA H 3.887 0.000 . 89 10 10 ARG HB2 H 1.766 0.000 . 90 10 10 ARG HB3 H 1.872 0.000 . 91 10 10 ARG HG2 H 1.439 0.000 . 92 10 10 ARG HG3 H 1.696 0.000 . 93 10 10 ARG HD2 H 3.105 0.000 . 94 10 10 ARG HD3 H 3.105 0.000 . 95 10 10 ARG C C 180.714 0.000 . 96 10 10 ARG CA C 59.785 0.000 . 97 10 10 ARG CB C 29.871 0.000 . 98 10 10 ARG CG C 27.705 0.000 . 99 10 10 ARG CD C 43.236 0.000 . 100 10 10 ARG N N 120.373 0.000 . 101 11 11 ASP H H 8.709 0.000 . 102 11 11 ASP HA H 4.314 0.000 . 103 11 11 ASP HB2 H 2.649 0.000 . 104 11 11 ASP HB3 H 2.776 0.000 . 105 11 11 ASP C C 179.081 0.000 . 106 11 11 ASP CA C 57.683 0.000 . 107 11 11 ASP CB C 40.022 0.000 . 108 11 11 ASP N N 123.103 0.000 . 109 12 12 ALA H H 7.615 0.000 . 110 12 12 ALA HA H 4.243 0.000 . 111 12 12 ALA HB H 1.576 0.000 . 112 12 12 ALA C C 177.593 0.000 . 113 12 12 ALA CA C 53.808 0.000 . 114 12 12 ALA CB C 18.341 0.000 . 115 12 12 ALA N N 119.926 0.000 . 116 13 13 ARG H H 7.204 0.000 . 117 13 13 ARG HA H 4.427 0.000 . 118 13 13 ARG HB2 H 2.677 0.000 . 119 13 13 ARG HG2 H 1.927 0.000 . 120 13 13 ARG HG3 H 1.200 0.000 . 121 13 13 ARG HD2 H 3.103 0.000 . 122 13 13 ARG HE H 7.116 0.000 . 123 13 13 ARG C C 174.905 0.000 . 124 13 13 ARG CA C 55.588 0.000 . 125 13 13 ARG CB C 30.789 0.000 . 126 13 13 ARG CG C 28.767 0.000 . 127 13 13 ARG CD C 43.550 0.000 . 128 13 13 ARG N N 113.504 0.000 . 129 13 13 ARG NE N 85.176 0.000 . 130 14 14 THR H H 7.685 0.000 . 131 14 14 THR HA H 5.589 0.000 . 132 14 14 THR HB H 4.231 0.000 . 133 14 14 THR HG2 H 1.262 0.000 . 134 14 14 THR C C 174.610 0.000 . 135 14 14 THR CA C 61.993 0.000 . 136 14 14 THR CB C 70.185 0.000 . 137 14 14 THR CG2 C 21.746 0.000 . 138 14 14 THR N N 117.103 0.000 . 139 15 15 VAL H H 9.154 0.000 . 140 15 15 VAL HA H 5.080 0.000 . 141 15 15 VAL HB H 2.245 0.000 . 142 15 15 VAL HG1 H 0.967 0.000 . 143 15 15 VAL HG2 H 0.563 0.000 . 144 15 15 VAL C C 173.786 0.000 . 145 15 15 VAL CA C 58.585 0.000 . 146 15 15 VAL CB C 33.823 0.000 . 147 15 15 VAL CG1 C 23.471 0.000 . 148 15 15 VAL CG2 C 18.730 0.000 . 149 15 15 VAL N N 117.127 0.000 . 150 16 16 PHE H H 9.359 0.000 . 151 16 16 PHE HA H 5.183 0.000 . 152 16 16 PHE HB2 H 2.786 0.000 . 153 16 16 PHE HB3 H 2.682 0.000 . 154 16 16 PHE HD1 H 6.678 0.000 . 155 16 16 PHE HD2 H 6.678 0.000 . 156 16 16 PHE HE1 H 7.121 0.000 . 157 16 16 PHE HE2 H 7.121 0.000 . 158 16 16 PHE HZ H 7.174 0.000 . 159 16 16 PHE C C 174.520 0.000 . 160 16 16 PHE CA C 54.981 0.000 . 161 16 16 PHE CB C 42.266 0.000 . 162 16 16 PHE CD1 C 128.581 0.000 . 163 16 16 PHE CD2 C 128.581 0.000 . 164 16 16 PHE CE1 C 128.506 0.000 . 165 16 16 PHE CE2 C 128.506 0.000 . 166 16 16 PHE CZ C 126.734 0.000 . 167 16 16 PHE N N 122.697 0.000 . 168 17 17 CYS H H 8.931 0.000 . 169 17 17 CYS HA H 5.567 0.000 . 170 17 17 CYS HB2 H 2.620 0.000 . 171 17 17 CYS HB3 H 2.748 0.000 . 172 17 17 CYS C C 173.018 0.000 . 173 17 17 CYS CA C 55.708 0.000 . 174 17 17 CYS CB C 30.776 0.000 . 175 17 17 CYS N N 122.356 0.000 . 176 18 18 MET H H 8.818 0.000 . 177 18 18 MET HA H 4.846 0.000 . 178 18 18 MET HB2 H 2.312 0.000 . 179 18 18 MET HB3 H 2.123 0.000 . 180 18 18 MET HG2 H 1.893 0.000 . 181 18 18 MET HG3 H 2.035 0.000 . 182 18 18 MET HE H 2.046 0.000 . 183 18 18 MET C C 173.706 0.000 . 184 18 18 MET CA C 53.623 0.000 . 185 18 18 MET CB C 31.772 0.000 . 186 18 18 MET CG C 36.997 0.000 . 187 18 18 MET CE C 17.089 0.000 . 188 18 18 MET N N 117.884 0.000 . 189 19 19 GLN H H 8.463 0.000 . 190 19 19 GLN HA H 3.698 0.000 . 191 19 19 GLN HB2 H 2.126 0.000 . 192 19 19 GLN HB3 H 2.782 0.000 . 193 19 19 GLN HG2 H 2.483 0.000 . 194 19 19 GLN HG3 H 2.038 0.000 . 195 19 19 GLN HE21 H 8.106 0.000 . 196 19 19 GLN HE22 H 7.054 0.000 . 197 19 19 GLN C C 173.403 0.000 . 198 19 19 GLN CA C 57.009 0.000 . 199 19 19 GLN CB C 27.922 0.000 . 200 19 19 GLN CG C 36.318 0.000 . 201 19 19 GLN N N 115.022 0.000 . 202 19 19 GLN NE2 N 112.125 0.000 . 203 20 20 LEU H H 7.685 0.000 . 204 20 20 LEU HA H 4.254 0.000 . 205 20 20 LEU HB2 H 1.406 0.000 . 206 20 20 LEU HB3 H 1.225 0.000 . 207 20 20 LEU HG H 1.312 0.000 . 208 20 20 LEU HD1 H 0.544 0.000 . 209 20 20 LEU HD2 H 0.639 0.000 . 210 20 20 LEU C C 177.827 0.000 . 211 20 20 LEU CA C 52.595 0.000 . 212 20 20 LEU CB C 43.258 0.000 . 213 20 20 LEU CG C 26.874 0.000 . 214 20 20 LEU CD1 C 26.419 0.000 . 215 20 20 LEU CD2 C 22.928 0.000 . 216 20 20 LEU N N 116.032 0.000 . 217 21 21 ALA H H 9.473 0.000 . 218 21 21 ALA HA H 4.145 0.000 . 219 21 21 ALA HB H 1.423 0.000 . 220 21 21 ALA C C 178.868 0.000 . 221 21 21 ALA CA C 51.661 0.000 . 222 21 21 ALA CB C 19.354 0.000 . 223 21 21 ALA N N 125.644 0.000 . 224 22 22 ALA H H 8.583 0.000 . 225 22 22 ALA HA H 4.109 0.000 . 226 22 22 ALA HB H 1.462 0.000 . 227 22 22 ALA C C 179.705 0.000 . 228 22 22 ALA CA C 54.560 0.000 . 229 22 22 ALA CB C 18.358 0.000 . 230 22 22 ALA N N 124.495 0.000 . 231 23 23 ARG H H 7.905 0.000 . 232 23 23 ARG HA H 4.368 0.000 . 233 23 23 ARG HB2 H 1.915 0.000 . 234 23 23 ARG HB3 H 1.915 0.000 . 235 23 23 ARG HG2 H 1.582 0.000 . 236 23 23 ARG HG3 H 1.582 0.000 . 237 23 23 ARG HD2 H 3.194 0.000 . 238 23 23 ARG HD3 H 3.194 0.000 . 239 23 23 ARG C C 176.243 0.000 . 240 23 23 ARG CA C 55.136 0.000 . 241 23 23 ARG CB C 29.161 0.000 . 242 23 23 ARG CG C 27.210 0.000 . 243 23 23 ARG CD C 43.317 0.000 . 244 23 23 ARG N N 111.716 0.000 . 245 24 24 ILE H H 7.270 0.000 . 246 24 24 ILE HA H 3.892 0.000 . 247 24 24 ILE HB H 1.858 0.000 . 248 24 24 ILE HG12 H 1.603 0.000 . 249 24 24 ILE HG13 H 1.338 0.000 . 250 24 24 ILE HG2 H 0.817 0.000 . 251 24 24 ILE HD1 H 0.883 0.000 . 252 24 24 ILE C C 173.297 0.000 . 253 24 24 ILE CA C 61.336 0.000 . 254 24 24 ILE CB C 38.751 0.000 . 255 24 24 ILE CG1 C 29.945 0.000 . 256 24 24 ILE CG2 C 18.248 0.000 . 257 24 24 ILE CD1 C 15.165 0.000 . 258 24 24 ILE N N 121.734 0.000 . 259 25 25 ARG H H 8.994 0.000 . 260 25 25 ARG HA H 4.955 0.000 . 261 25 25 ARG HB2 H 2.103 0.000 . 262 25 25 ARG HB3 H 1.683 0.000 . 263 25 25 ARG HG2 H 1.834 0.000 . 264 25 25 ARG HG3 H 1.868 0.000 . 265 25 25 ARG HD2 H 3.361 0.000 . 266 25 25 ARG CA C 52.417 0.000 . 267 25 25 ARG CB C 30.964 0.000 . 268 25 25 ARG CG C 26.028 0.000 . 269 25 25 ARG CD C 43.243 0.000 . 270 25 25 ARG N N 125.810 0.000 . 271 26 26 PRO HA H 4.060 0.000 . 272 26 26 PRO HB2 H 2.244 0.000 . 273 26 26 PRO HB3 H 2.115 0.000 . 274 26 26 PRO HG2 H 2.212 0.000 . 275 26 26 PRO HG3 H 1.996 0.000 . 276 26 26 PRO HD2 H 3.896 0.000 . 277 26 26 PRO HD3 H 3.896 0.000 . 278 26 26 PRO CA C 66.672 0.000 . 279 26 26 PRO CB C 31.460 0.000 . 280 26 26 PRO CG C 28.054 0.000 . 281 26 26 PRO CD C 50.020 0.000 . 282 27 27 ARG H H 8.362 0.000 . 283 27 27 ARG HA H 4.240 0.000 . 284 27 27 ARG HB2 H 1.687 0.000 . 285 27 27 ARG HB3 H 2.006 0.000 . 286 27 27 ARG HG2 H 1.696 0.000 . 287 27 27 ARG HG3 H 1.647 0.000 . 288 27 27 ARG HD2 H 3.238 0.000 . 289 27 27 ARG HD3 H 3.238 0.000 . 290 27 27 ARG C C 178.376 0.000 . 291 27 27 ARG CA C 58.115 0.000 . 292 27 27 ARG CB C 29.541 0.000 . 293 27 27 ARG CG C 26.004 0.000 . 294 27 27 ARG CD C 43.240 0.000 . 295 27 27 ARG N N 114.118 0.000 . 296 28 28 ASP H H 7.688 0.000 . 297 28 28 ASP HA H 4.461 0.000 . 298 28 28 ASP HB2 H 2.486 0.000 . 299 28 28 ASP HB3 H 2.936 0.000 . 300 28 28 ASP C C 180.328 0.000 . 301 28 28 ASP CA C 57.527 0.000 . 302 28 28 ASP CB C 41.564 0.000 . 303 28 28 ASP N N 116.954 0.000 . 304 29 29 LEU H H 7.173 0.000 . 305 29 29 LEU HA H 4.317 0.000 . 306 29 29 LEU HB2 H 1.514 0.000 . 307 29 29 LEU HB3 H 2.178 0.000 . 308 29 29 LEU HG H 1.625 0.000 . 309 29 29 LEU HD1 H 0.738 0.000 . 310 29 29 LEU HD2 H 0.818 0.000 . 311 29 29 LEU C C 178.541 0.000 . 312 29 29 LEU CA C 56.849 0.000 . 313 29 29 LEU CB C 41.772 0.000 . 314 29 29 LEU CG C 26.869 0.000 . 315 29 29 LEU CD1 C 26.028 0.000 . 316 29 29 LEU CD2 C 22.824 0.000 . 317 29 29 LEU N N 117.931 0.000 . 318 30 30 GLU H H 8.632 0.000 . 319 30 30 GLU HA H 3.788 0.000 . 320 30 30 GLU HB2 H 2.146 0.000 . 321 30 30 GLU HB3 H 2.221 0.000 . 322 30 30 GLU HG2 H 2.170 0.000 . 323 30 30 GLU HG3 H 2.087 0.000 . 324 30 30 GLU C C 179.497 0.000 . 325 30 30 GLU CA C 60.299 0.000 . 326 30 30 GLU CB C 29.672 0.000 . 327 30 30 GLU CG C 36.028 0.000 . 328 30 30 GLU N N 121.321 0.000 . 329 31 31 GLU H H 8.405 0.000 . 330 31 31 GLU HA H 4.067 0.000 . 331 31 31 GLU HB2 H 2.145 0.000 . 332 31 31 GLU HG2 H 2.518 0.000 . 333 31 31 GLU HG3 H 2.328 0.000 . 334 31 31 GLU C C 179.635 0.000 . 335 31 31 GLU CA C 59.357 0.000 . 336 31 31 GLU CB C 29.496 0.000 . 337 31 31 GLU CG C 36.428 0.000 . 338 31 31 GLU N N 118.162 0.000 . 339 32 32 PHE H H 7.767 0.000 . 340 32 32 PHE HA H 4.353 0.000 . 341 32 32 PHE HB2 H 3.272 0.000 . 342 32 32 PHE HB3 H 2.673 0.000 . 343 32 32 PHE HD1 H 6.266 0.000 . 344 32 32 PHE HD2 H 6.266 0.000 . 345 32 32 PHE HE1 H 6.788 0.000 . 346 32 32 PHE HE2 H 6.788 0.000 . 347 32 32 PHE HZ H 6.924 0.000 . 348 32 32 PHE C C 177.183 0.000 . 349 32 32 PHE CA C 60.941 0.000 . 350 32 32 PHE CB C 39.922 0.000 . 351 32 32 PHE CD1 C 128.382 0.000 . 352 32 32 PHE CD2 C 128.382 0.000 . 353 32 32 PHE CE1 C 128.426 0.000 . 354 32 32 PHE CE2 C 128.428 0.000 . 355 32 32 PHE CZ C 126.986 0.000 . 356 32 32 PHE N N 120.127 0.000 . 357 33 33 PHE H H 8.489 0.000 . 358 33 33 PHE HA H 4.251 0.000 . 359 33 33 PHE HB2 H 3.484 0.000 . 360 33 33 PHE HB3 H 2.806 0.000 . 361 33 33 PHE HD1 H 6.892 0.000 . 362 33 33 PHE HD2 H 6.892 0.000 . 363 33 33 PHE HE1 H 6.640 0.000 . 364 33 33 PHE HE2 H 6.640 0.000 . 365 33 33 PHE HZ H 7.420 0.000 . 366 33 33 PHE C C 177.304 0.000 . 367 33 33 PHE CA C 61.179 0.000 . 368 33 33 PHE CB C 38.580 0.000 . 369 33 33 PHE CD1 C 128.164 0.000 . 370 33 33 PHE CD2 C 128.164 0.000 . 371 33 33 PHE CE1 C 126.125 0.000 . 372 33 33 PHE CE2 C 126.125 0.000 . 373 33 33 PHE CZ C 129.127 0.000 . 374 33 33 PHE N N 112.879 0.000 . 375 34 34 SER H H 7.997 0.000 . 376 34 34 SER HA H 5.119 0.000 . 377 34 34 SER HB2 H 4.232 0.000 . 378 34 34 SER HB3 H 4.165 0.000 . 379 34 34 SER C C 175.464 0.000 . 380 34 34 SER CA C 61.268 0.000 . 381 34 34 SER CB C 62.915 0.000 . 382 34 34 SER N N 115.870 0.000 . 383 35 35 THR H H 7.188 0.000 . 384 35 35 THR HA H 4.147 0.000 . 385 35 35 THR HB H 4.171 0.000 . 386 35 35 THR HG2 H 1.287 0.000 . 387 35 35 THR C C 176.410 0.000 . 388 35 35 THR CA C 63.756 0.000 . 389 35 35 THR CB C 68.802 0.000 . 390 35 35 THR CG2 C 21.450 0.000 . 391 35 35 THR N N 110.934 0.000 . 392 36 36 VAL H H 7.665 0.000 . 393 36 36 VAL HA H 4.623 0.000 . 394 36 36 VAL HB H 2.461 0.000 . 395 36 36 VAL HG1 H 0.788 0.000 . 396 36 36 VAL HG2 H 0.900 0.000 . 397 36 36 VAL C C 176.046 0.000 . 398 36 36 VAL CA C 60.472 0.000 . 399 36 36 VAL CB C 32.425 0.000 . 400 36 36 VAL CG1 C 21.913 0.000 . 401 36 36 VAL CG2 C 19.001 0.000 . 402 36 36 VAL N N 111.644 0.000 . 403 37 37 GLY H H 7.640 0.000 . 404 37 37 GLY HA2 H 4.029 0.000 . 405 37 37 GLY HA3 H 4.166 0.000 . 406 37 37 GLY CA C 45.269 0.000 . 407 37 37 GLY N N 109.343 0.000 . 408 38 38 LYS H H 8.246 0.000 . 409 38 38 LYS HA H 4.539 0.000 . 410 38 38 LYS HB2 H 1.830 0.000 . 411 38 38 LYS HB3 H 1.753 0.000 . 412 38 38 LYS HG2 H 1.464 0.000 . 413 38 38 LYS HD2 H 1.769 0.000 . 414 38 38 LYS HD3 H 1.675 0.000 . 415 38 38 LYS CA C 55.724 0.000 . 416 38 38 LYS CB C 32.875 0.000 . 417 38 38 LYS CG C 24.892 0.000 . 418 38 38 LYS CD C 28.900 0.000 . 419 38 38 LYS N N 117.953 0.000 . 420 39 39 VAL H H 9.126 0.000 . 421 39 39 VAL HA H 3.685 0.000 . 422 39 39 VAL HB H 1.963 0.000 . 423 39 39 VAL HG1 H 0.807 0.000 . 424 39 39 VAL HG2 H 0.583 0.000 . 425 39 39 VAL CA C 62.816 0.000 . 426 39 39 VAL CB C 32.992 0.000 . 427 39 39 VAL CG1 C 22.274 0.000 . 428 39 39 VAL CG2 C 22.292 0.000 . 429 39 39 VAL N N 128.639 0.000 . 430 40 40 ARG H H 9.573 0.000 . 431 40 40 ARG HA H 4.279 0.000 . 432 40 40 ARG HB2 H 1.438 0.000 . 433 40 40 ARG HB3 H 1.370 0.000 . 434 40 40 ARG HG2 H 1.501 0.000 . 435 40 40 ARG HG3 H 1.501 0.000 . 436 40 40 ARG HD2 H 3.145 0.000 . 437 40 40 ARG HD3 H 3.145 0.000 . 438 40 40 ARG C C 175.643 0.000 . 439 40 40 ARG CA C 56.334 0.000 . 440 40 40 ARG CB C 31.660 0.000 . 441 40 40 ARG CG C 26.855 0.000 . 442 40 40 ARG CD C 42.812 0.000 . 443 40 40 ARG N N 129.292 0.000 . 444 41 41 ASP H H 7.762 0.000 . 445 41 41 ASP HA H 4.840 0.000 . 446 41 41 ASP HB2 H 2.321 0.000 . 447 41 41 ASP HB3 H 2.448 0.000 . 448 41 41 ASP C C 173.674 0.000 . 449 41 41 ASP CA C 53.705 0.000 . 450 41 41 ASP CB C 44.903 0.000 . 451 41 41 ASP N N 116.255 0.000 . 452 42 42 VAL H H 7.939 0.000 . 453 42 42 VAL HA H 4.635 0.000 . 454 42 42 VAL HB H 1.986 0.000 . 455 42 42 VAL HG1 H 0.891 0.000 . 456 42 42 VAL HG2 H 0.891 0.000 . 457 42 42 VAL C C 174.714 0.000 . 458 42 42 VAL CA C 61.274 0.000 . 459 42 42 VAL CB C 34.832 0.000 . 460 42 42 VAL CG1 C 21.499 0.000 . 461 42 42 VAL N N 122.442 0.000 . 462 43 43 ARG H H 9.171 0.000 . 463 43 43 ARG HA H 4.765 0.000 . 464 43 43 ARG HB2 H 1.806 0.000 . 465 43 43 ARG HG2 H 1.496 0.000 . 466 43 43 ARG HG3 H 1.496 0.000 . 467 43 43 ARG C C 175.278 0.000 . 468 43 43 ARG CA C 54.378 0.000 . 469 43 43 ARG CB C 32.434 0.000 . 470 43 43 ARG CG C 27.530 0.000 . 471 43 43 ARG N N 126.687 0.000 . 472 44 44 MET H H 8.939 0.000 . 473 44 44 MET HA H 4.906 0.000 . 474 44 44 MET HB2 H 1.889 0.000 . 475 44 44 MET HB3 H 2.187 0.000 . 476 44 44 MET HG2 H 2.437 0.000 . 477 44 44 MET HG3 H 2.542 0.000 . 478 44 44 MET HE H 1.843 0.000 . 479 44 44 MET C C 176.360 0.000 . 480 44 44 MET CA C 53.152 0.000 . 481 44 44 MET CB C 32.940 0.000 . 482 44 44 MET CG C 32.009 0.000 . 483 44 44 MET CE C 16.796 0.000 . 484 44 44 MET N N 123.092 0.000 . 485 45 45 ILE H H 8.319 0.000 . 486 45 45 ILE HA H 4.460 0.000 . 487 45 45 ILE HB H 1.958 0.000 . 488 45 45 ILE HG12 H 1.497 0.000 . 489 45 45 ILE HG13 H 1.352 0.000 . 490 45 45 ILE HG2 H 0.988 0.000 . 491 45 45 ILE HD1 H 0.895 0.000 . 492 45 45 ILE C C 175.961 0.000 . 493 45 45 ILE CA C 59.947 0.000 . 494 45 45 ILE CB C 38.193 0.000 . 495 45 45 ILE CG1 C 27.148 0.000 . 496 45 45 ILE CG2 C 17.670 0.000 . 497 45 45 ILE CD1 C 11.865 0.000 . 498 45 45 ILE N N 124.146 0.000 . 499 46 46 SER H H 8.653 0.000 . 500 46 46 SER HA H 4.709 0.000 . 501 46 46 SER HB2 H 3.804 0.000 . 502 46 46 SER HB3 H 3.804 0.000 . 503 46 46 SER C C 174.061 0.000 . 504 46 46 SER CA C 57.381 0.000 . 505 46 46 SER CB C 64.273 0.000 . 506 46 46 SER N N 121.541 0.000 . 507 47 47 ASP H H 8.598 0.000 . 508 47 47 ASP HA H 4.658 0.000 . 509 47 47 ASP HB2 H 2.809 0.000 . 510 47 47 ASP HB3 H 2.664 0.000 . 511 47 47 ASP C C 177.203 0.000 . 512 47 47 ASP CA C 53.662 0.000 . 513 47 47 ASP CB C 41.920 0.000 . 514 47 47 ASP N N 123.132 0.000 . 515 48 48 ARG H H 8.648 0.000 . 516 48 48 ARG HA H 4.207 0.000 . 517 48 48 ARG HB2 H 1.891 0.000 . 518 48 48 ARG HB3 H 1.891 0.000 . 519 48 48 ARG HG2 H 1.668 0.000 . 520 48 48 ARG HG3 H 1.668 0.000 . 521 48 48 ARG HD2 H 3.194 0.000 . 522 48 48 ARG HD3 H 3.194 0.000 . 523 48 48 ARG C C 177.090 0.000 . 524 48 48 ARG CA C 57.206 0.000 . 525 48 48 ARG CB C 29.775 0.000 . 526 48 48 ARG CG C 26.844 0.000 . 527 48 48 ARG N N 122.881 0.000 . 528 49 49 ASN H H 8.502 0.000 . 529 49 49 ASN HA H 4.746 0.000 . 530 49 49 ASN HB2 H 2.921 0.000 . 531 49 49 ASN HB3 H 2.841 0.000 . 532 49 49 ASN HD21 H 7.805 0.000 . 533 49 49 ASN HD22 H 6.982 0.000 . 534 49 49 ASN C C 175.822 0.000 . 535 49 49 ASN CA C 53.592 0.000 . 536 49 49 ASN CB C 38.910 0.000 . 537 49 49 ASN N N 117.245 0.000 . 538 49 49 ASN ND2 N 113.676 0.000 . 539 50 50 SER H H 8.158 0.000 . 540 50 50 SER HA H 4.429 0.000 . 541 50 50 SER HB2 H 3.970 0.000 . 542 50 50 SER HB3 H 3.970 0.000 . 543 50 50 SER C C 175.339 0.000 . 544 50 50 SER CA C 58.396 0.000 . 545 50 50 SER CB C 63.681 0.000 . 546 50 50 SER N N 114.891 0.000 . 547 51 51 ARG H H 8.451 0.000 . 548 51 51 ARG HA H 4.289 0.000 . 549 51 51 ARG HD2 H 3.195 0.000 . 550 51 51 ARG HD3 H 3.195 0.000 . 551 51 51 ARG C C 176.845 0.000 . 552 51 51 ARG CA C 56.672 0.000 . 553 51 51 ARG CB C 29.620 0.000 . 554 51 51 ARG CG C 28.632 0.000 . 555 51 51 ARG N N 120.957 0.000 . 556 52 52 ARG H H 8.159 0.000 . 557 52 52 ARG HA H 4.420 0.000 . 558 52 52 ARG HB2 H 1.923 0.000 . 559 52 52 ARG HB3 H 1.785 0.000 . 560 52 52 ARG HG2 H 1.680 0.000 . 561 52 52 ARG HG3 H 1.680 0.000 . 562 52 52 ARG HD2 H 3.230 0.000 . 563 52 52 ARG HD3 H 3.230 0.000 . 564 52 52 ARG CA C 55.765 0.000 . 565 52 52 ARG CB C 30.875 0.000 . 566 52 52 ARG CG C 27.114 0.000 . 567 52 52 ARG CD C 43.289 0.000 . 568 52 52 ARG N N 119.405 0.000 . 569 53 53 SER H H 8.370 0.000 . 570 53 53 SER HA H 4.492 0.000 . 571 53 53 SER HB2 H 3.965 0.000 . 572 53 53 SER HB3 H 3.884 0.000 . 573 53 53 SER CA C 58.142 0.000 . 574 53 53 SER CB C 63.447 0.000 . 575 53 53 SER N N 116.328 0.000 . 576 54 54 LYS H H 8.374 0.000 . 577 54 54 LYS HA H 4.499 0.000 . 578 54 54 LYS HB2 H 1.739 0.000 . 579 54 54 LYS HB3 H 1.739 0.000 . 580 54 54 LYS HG3 H 1.433 0.000 . 581 54 54 LYS HE2 H 3.030 0.000 . 582 54 54 LYS HE3 H 3.030 0.000 . 583 54 54 LYS CA C 55.563 0.000 . 584 54 54 LYS CB C 33.079 0.000 . 585 54 54 LYS CG C 25.015 0.000 . 586 54 54 LYS CE C 42.116 0.000 . 587 54 54 LYS N N 122.099 0.000 . 588 55 55 GLY H H 8.592 0.000 . 589 55 55 GLY HA2 H 4.031 0.000 . 590 55 55 GLY HA3 H 3.919 0.000 . 591 55 55 GLY C C 172.962 0.000 . 592 55 55 GLY CA C 45.894 0.000 . 593 55 55 GLY N N 109.513 0.000 . 594 56 56 ILE H H 7.618 0.000 . 595 56 56 ILE HA H 5.012 0.000 . 596 56 56 ILE HB H 1.763 0.000 . 597 56 56 ILE HG12 H 1.461 0.000 . 598 56 56 ILE HG13 H 1.077 0.000 . 599 56 56 ILE HG2 H 0.878 0.000 . 600 56 56 ILE HD1 H 0.946 0.000 . 601 56 56 ILE C C 175.172 0.000 . 602 56 56 ILE CA C 58.731 0.000 . 603 56 56 ILE CB C 42.162 0.000 . 604 56 56 ILE CG1 C 26.477 0.000 . 605 56 56 ILE CG2 C 18.686 0.000 . 606 56 56 ILE CD1 C 13.809 0.000 . 607 56 56 ILE N N 114.180 0.000 . 608 57 57 ALA H H 8.308 0.000 . 609 57 57 ALA HA H 5.120 0.000 . 610 57 57 ALA HB H 1.091 0.000 . 611 57 57 ALA C C 175.094 0.000 . 612 57 57 ALA CA C 50.699 0.000 . 613 57 57 ALA CB C 24.170 0.000 . 614 57 57 ALA N N 121.556 0.000 . 615 58 58 TYR H H 8.971 0.000 . 616 58 58 TYR HA H 5.481 0.000 . 617 58 58 TYR HB2 H 2.754 0.000 . 618 58 58 TYR HB3 H 2.754 0.000 . 619 58 58 TYR HD1 H 7.010 0.000 . 620 58 58 TYR HD2 H 7.010 0.000 . 621 58 58 TYR HE1 H 6.736 0.000 . 622 58 58 TYR HE2 H 6.736 0.000 . 623 58 58 TYR C C 175.537 0.000 . 624 58 58 TYR CA C 56.514 0.000 . 625 58 58 TYR CB C 40.607 0.000 . 626 58 58 TYR CD1 C 130.109 0.000 . 627 58 58 TYR CD2 C 130.109 0.000 . 628 58 58 TYR CE1 C 115.371 0.000 . 629 58 58 TYR CE2 C 115.371 0.000 . 630 58 58 TYR N N 118.387 0.000 . 631 59 59 VAL H H 8.828 0.000 . 632 59 59 VAL HA H 4.376 0.000 . 633 59 59 VAL HB H 1.299 0.000 . 634 59 59 VAL HG1 H -0.022 0.000 . 635 59 59 VAL HG2 H 0.733 0.000 . 636 59 59 VAL C C 172.631 0.000 . 637 59 59 VAL CA C 61.217 0.000 . 638 59 59 VAL CB C 33.575 0.000 . 639 59 59 VAL CG1 C 20.345 0.000 . 640 59 59 VAL CG2 C 21.425 0.000 . 641 59 59 VAL N N 122.978 0.000 . 642 60 60 GLU H H 8.774 0.000 . 643 60 60 GLU HA H 4.851 0.000 . 644 60 60 GLU HB2 H 1.766 0.000 . 645 60 60 GLU HB3 H 1.868 0.000 . 646 60 60 GLU HG3 H 1.929 0.000 . 647 60 60 GLU C C 176.210 0.000 . 648 60 60 GLU CA C 53.842 0.000 . 649 60 60 GLU CB C 33.103 0.000 . 650 60 60 GLU N N 128.557 0.000 . 651 61 61 PHE H H 9.340 0.000 . 652 61 61 PHE HA H 4.916 0.000 . 653 61 61 PHE HB2 H 2.900 0.000 . 654 61 61 PHE HB3 H 3.590 0.000 . 655 61 61 PHE HD1 H 7.132 0.000 . 656 61 61 PHE HD2 H 7.132 0.000 . 657 61 61 PHE HE1 H 7.480 0.000 . 658 61 61 PHE HE2 H 7.480 0.000 . 659 61 61 PHE C C 176.011 0.000 . 660 61 61 PHE CA C 58.586 0.000 . 661 61 61 PHE CB C 41.038 0.000 . 662 61 61 PHE CD2 C 128.761 0.000 . 663 61 61 PHE N N 126.659 0.000 . 664 62 62 VAL H H 8.184 0.000 . 665 62 62 VAL HA H 3.743 0.000 . 666 62 62 VAL HB H 1.973 0.000 . 667 62 62 VAL HG1 H 0.920 0.000 . 668 62 62 VAL HG2 H 1.002 0.000 . 669 62 62 VAL C C 176.097 0.000 . 670 62 62 VAL CA C 65.785 0.000 . 671 62 62 VAL CB C 32.811 0.000 . 672 62 62 VAL CG1 C 23.231 0.000 . 673 62 62 VAL CG2 C 21.067 0.000 . 674 62 62 VAL N N 118.280 0.000 . 675 63 63 ASP H H 8.708 0.000 . 676 63 63 ASP HA H 5.192 0.000 . 677 63 63 ASP HB2 H 2.879 0.000 . 678 63 63 ASP HB3 H 2.538 0.000 . 679 63 63 ASP C C 176.648 0.000 . 680 63 63 ASP CA C 52.639 0.000 . 681 63 63 ASP CB C 44.569 0.000 . 682 63 63 ASP N N 118.269 0.000 . 683 64 64 VAL H H 8.609 0.000 . 684 64 64 VAL HA H 3.811 0.000 . 685 64 64 VAL HB H 2.087 0.000 . 686 64 64 VAL HG1 H 1.070 0.000 . 687 64 64 VAL HG2 H 1.039 0.000 . 688 64 64 VAL C C 178.439 0.000 . 689 64 64 VAL CA C 64.819 0.000 . 690 64 64 VAL CB C 32.050 0.000 . 691 64 64 VAL CG1 C 21.569 0.000 . 692 64 64 VAL CG2 C 20.807 0.000 . 693 64 64 VAL N N 121.961 0.000 . 694 65 65 SER H H 8.492 0.000 . 695 65 65 SER HA H 4.143 0.000 . 696 65 65 SER HB2 H 3.951 0.000 . 697 65 65 SER HB3 H 3.951 0.000 . 698 65 65 SER C C 176.285 0.000 . 699 65 65 SER CA C 60.158 0.000 . 700 65 65 SER CB C 62.066 0.000 . 701 65 65 SER N N 115.305 0.000 . 702 66 66 SER H H 7.414 0.000 . 703 66 66 SER HA H 4.024 0.000 . 704 66 66 SER HB2 H 2.435 0.000 . 705 66 66 SER HB3 H 3.079 0.000 . 706 66 66 SER C C 174.528 0.000 . 707 66 66 SER CA C 60.749 0.000 . 708 66 66 SER CB C 63.063 0.000 . 709 66 66 SER N N 116.053 0.000 . 710 67 67 VAL H H 7.611 0.000 . 711 67 67 VAL HA H 3.320 0.000 . 712 67 67 VAL HB H 2.519 0.000 . 713 67 67 VAL HG1 H 0.927 0.000 . 714 67 67 VAL HG2 H 1.170 0.000 . 715 67 67 VAL CA C 69.038 0.000 . 716 67 67 VAL CB C 29.198 0.000 . 717 67 67 VAL CG1 C 20.203 0.000 . 718 67 67 VAL CG2 C 23.513 0.000 . 719 67 67 VAL N N 119.830 0.000 . 720 68 68 PRO HA H 4.265 0.000 . 721 68 68 PRO HB2 H 2.344 0.000 . 722 68 68 PRO HB3 H 1.843 0.000 . 723 68 68 PRO HG2 H 2.033 0.000 . 724 68 68 PRO HD2 H 3.682 0.000 . 725 68 68 PRO HD3 H 3.894 0.000 . 726 68 68 PRO C C 180.457 0.000 . 727 68 68 PRO CA C 65.072 0.000 . 728 68 68 PRO CB C 30.738 0.000 . 729 68 68 PRO CG C 28.293 0.000 . 730 68 68 PRO CD C 48.728 0.000 . 731 69 69 LEU H H 6.284 0.000 . 732 69 69 LEU HA H 4.099 0.000 . 733 69 69 LEU HB2 H 1.858 0.000 . 734 69 69 LEU HB3 H 1.408 0.000 . 735 69 69 LEU HG H 1.780 0.000 . 736 69 69 LEU HD1 H 0.868 0.000 . 737 69 69 LEU HD2 H 0.986 0.000 . 738 69 69 LEU C C 179.450 0.000 . 739 69 69 LEU CA C 56.442 0.000 . 740 69 69 LEU CB C 41.122 0.000 . 741 69 69 LEU CG C 26.834 0.000 . 742 69 69 LEU CD1 C 21.921 0.000 . 743 69 69 LEU CD2 C 25.670 0.000 . 744 69 69 LEU N N 115.334 0.000 . 745 70 70 ALA H H 8.342 0.000 . 746 70 70 ALA HA H 4.175 0.000 . 747 70 70 ALA HB H 1.561 0.000 . 748 70 70 ALA C C 180.611 0.000 . 749 70 70 ALA CA C 54.895 0.000 . 750 70 70 ALA CB C 19.544 0.000 . 751 70 70 ALA N N 122.703 0.000 . 752 71 71 ILE H H 8.255 0.000 . 753 71 71 ILE HA H 4.265 0.000 . 754 71 71 ILE HB H 1.811 0.000 . 755 71 71 ILE HG12 H 1.790 0.000 . 756 71 71 ILE HG13 H 0.814 0.000 . 757 71 71 ILE HG2 H 1.071 0.000 . 758 71 71 ILE HD1 H 0.873 0.000 . 759 71 71 ILE C C 179.971 0.000 . 760 71 71 ILE CA C 65.117 0.000 . 761 71 71 ILE CB C 38.600 0.000 . 762 71 71 ILE CG1 C 29.671 0.000 . 763 71 71 ILE CG2 C 16.488 0.000 . 764 71 71 ILE CD1 C 14.632 0.000 . 765 71 71 ILE N N 118.692 0.000 . 766 72 72 GLY H H 7.635 0.000 . 767 72 72 GLY HA2 H 4.211 0.000 . 768 72 72 GLY HA3 H 3.892 0.000 . 769 72 72 GLY C C 174.590 0.000 . 770 72 72 GLY CA C 45.891 0.000 . 771 72 72 GLY N N 106.417 0.000 . 772 73 73 LEU H H 7.767 0.000 . 773 73 73 LEU HA H 4.411 0.000 . 774 73 73 LEU HB2 H 2.220 0.000 . 775 73 73 LEU HB3 H 1.763 0.000 . 776 73 73 LEU HG H 2.014 0.000 . 777 73 73 LEU HD1 H 0.645 0.000 . 778 73 73 LEU HD2 H 0.502 0.000 . 779 73 73 LEU C C 176.338 0.000 . 780 73 73 LEU CA C 54.949 0.000 . 781 73 73 LEU CB C 40.593 0.000 . 782 73 73 LEU CG C 26.006 0.000 . 783 73 73 LEU CD1 C 21.650 0.000 . 784 73 73 LEU CD2 C 25.670 0.000 . 785 73 73 LEU N N 120.383 0.000 . 786 74 74 THR H H 7.731 0.000 . 787 74 74 THR HA H 4.060 0.000 . 788 74 74 THR HB H 4.383 0.000 . 789 74 74 THR HG2 H 1.533 0.000 . 790 74 74 THR C C 175.656 0.000 . 791 74 74 THR CA C 66.177 0.000 . 792 74 74 THR CB C 69.821 0.000 . 793 74 74 THR CG2 C 21.652 0.000 . 794 74 74 THR N N 115.157 0.000 . 795 75 75 GLY H H 9.519 0.000 . 796 75 75 GLY HA2 H 3.668 0.000 . 797 75 75 GLY HA3 H 4.606 0.000 . 798 75 75 GLY CA C 44.625 0.000 . 799 75 75 GLY N N 117.587 0.000 . 800 76 76 GLN H H 8.319 0.000 . 801 76 76 GLN HA H 4.314 0.000 . 802 76 76 GLN HB3 H 2.328 0.000 . 803 76 76 GLN HG2 H 2.634 0.000 . 804 76 76 GLN HG3 H 2.564 0.000 . 805 76 76 GLN HE21 H 7.753 0.000 . 806 76 76 GLN HE22 H 6.850 0.000 . 807 76 76 GLN C C 175.015 0.000 . 808 76 76 GLN CA C 55.819 0.000 . 809 76 76 GLN CB C 28.220 0.000 . 810 76 76 GLN CG C 34.306 0.000 . 811 76 76 GLN N N 120.027 0.000 . 812 76 76 GLN NE2 N 113.034 0.000 . 813 77 77 ARG H H 8.544 0.000 . 814 77 77 ARG HA H 4.131 0.000 . 815 77 77 ARG HB2 H 1.716 0.000 . 816 77 77 ARG HB3 H 1.078 0.000 . 817 77 77 ARG HG2 H 1.659 0.000 . 818 77 77 ARG HG3 H 1.031 0.000 . 819 77 77 ARG HD2 H 3.085 0.000 . 820 77 77 ARG HD3 H 3.085 0.000 . 821 77 77 ARG C C 176.209 0.000 . 822 77 77 ARG CA C 56.091 0.000 . 823 77 77 ARG CB C 31.364 0.000 . 824 77 77 ARG CG C 28.852 0.000 . 825 77 77 ARG CD C 43.292 0.000 . 826 77 77 ARG N N 118.759 0.000 . 827 78 78 VAL H H 8.015 0.000 . 828 78 78 VAL HA H 3.835 0.000 . 829 78 78 VAL HB H 1.643 0.000 . 830 78 78 VAL HG1 H 0.477 0.000 . 831 78 78 VAL HG2 H -0.315 0.000 . 832 78 78 VAL C C 176.570 0.000 . 833 78 78 VAL CA C 61.470 0.000 . 834 78 78 VAL CB C 32.202 0.000 . 835 78 78 VAL CG1 C 20.688 0.000 . 836 78 78 VAL CG2 C 19.727 0.000 . 837 78 78 VAL N N 123.886 0.000 . 838 79 79 LEU H H 9.570 0.000 . 839 79 79 LEU HA H 3.832 0.000 . 840 79 79 LEU HB2 H 1.697 0.000 . 841 79 79 LEU HB3 H 1.612 0.000 . 842 79 79 LEU HG H 1.488 0.000 . 843 79 79 LEU HD1 H 0.797 0.000 . 844 79 79 LEU HD2 H 0.802 0.000 . 845 79 79 LEU CA C 55.773 0.000 . 846 79 79 LEU CB C 39.541 0.000 . 847 79 79 LEU CG C 27.755 0.000 . 848 79 79 LEU CD1 C 23.292 0.000 . 849 79 79 LEU CD2 C 25.702 0.000 . 850 79 79 LEU N N 129.331 0.000 . 851 80 80 GLY H H 8.316 0.000 . 852 80 80 GLY HA2 H 3.537 0.000 . 853 80 80 GLY HA3 H 4.224 0.000 . 854 80 80 GLY CA C 45.229 0.000 . 855 80 80 GLY N N 100.301 0.000 . 856 81 81 VAL H H 7.632 0.000 . 857 81 81 VAL HA H 4.637 0.000 . 858 81 81 VAL HB H 2.123 0.000 . 859 81 81 VAL HG1 H 0.896 0.000 . 860 81 81 VAL HG2 H 0.896 0.000 . 861 81 81 VAL CA C 59.355 0.000 . 862 81 81 VAL CB C 34.897 0.000 . 863 81 81 VAL CG1 C 21.067 0.000 . 864 81 81 VAL N N 122.763 0.000 . 865 82 82 PRO HA H 4.332 0.000 . 866 82 82 PRO HB2 H 1.907 0.000 . 867 82 82 PRO HB3 H 2.073 0.000 . 868 82 82 PRO HG2 H 1.794 0.000 . 869 82 82 PRO HG3 H 2.201 0.000 . 870 82 82 PRO HD2 H 3.740 0.000 . 871 82 82 PRO HD3 H 3.859 0.000 . 872 82 82 PRO C C 175.005 0.000 . 873 82 82 PRO CA C 62.503 0.000 . 874 82 82 PRO CB C 31.280 0.000 . 875 82 82 PRO CG C 27.740 0.000 . 876 82 82 PRO CD C 51.496 0.000 . 877 83 83 ILE H H 8.391 0.000 . 878 83 83 ILE HA H 4.626 0.000 . 879 83 83 ILE HB H 1.724 0.000 . 880 83 83 ILE HG12 H 1.170 0.000 . 881 83 83 ILE HG13 H 1.603 0.000 . 882 83 83 ILE HG2 H 0.905 0.000 . 883 83 83 ILE HD1 H 0.624 0.000 . 884 83 83 ILE C C 175.679 0.000 . 885 83 83 ILE CA C 60.969 0.000 . 886 83 83 ILE CB C 40.913 0.000 . 887 83 83 ILE CG1 C 29.224 0.000 . 888 83 83 ILE CG2 C 15.629 0.000 . 889 83 83 ILE CD1 C 14.830 0.000 . 890 83 83 ILE N N 126.022 0.000 . 891 84 84 ILE H H 7.842 0.000 . 892 84 84 ILE HA H 4.433 0.000 . 893 84 84 ILE HB H 1.566 0.000 . 894 84 84 ILE HG12 H 1.081 0.000 . 895 84 84 ILE HG13 H 1.513 0.000 . 896 84 84 ILE HG2 H 0.892 0.000 . 897 84 84 ILE HD1 H 0.817 0.000 . 898 84 84 ILE C C 174.418 0.000 . 899 84 84 ILE CA C 61.313 0.000 . 900 84 84 ILE CB C 39.900 0.000 . 901 84 84 ILE CG1 C 27.210 0.000 . 902 84 84 ILE CG2 C 17.097 0.000 . 903 84 84 ILE CD1 C 13.119 0.000 . 904 84 84 ILE N N 125.284 0.000 . 905 85 85 VAL H H 8.400 0.000 . 906 85 85 VAL HA H 3.617 0.000 . 907 85 85 VAL HB H 2.262 0.000 . 908 85 85 VAL HG1 H 0.919 0.000 . 909 85 85 VAL HG2 H 1.228 0.000 . 910 85 85 VAL CA C 64.887 0.000 . 911 85 85 VAL CB C 34.069 0.000 . 912 85 85 VAL CG1 C 21.633 0.000 . 913 85 85 VAL CG2 C 21.572 0.000 . 914 85 85 VAL N N 128.143 0.000 . 915 86 86 GLN H H 9.242 0.000 . 916 86 86 GLN HA H 4.903 0.000 . 917 86 86 GLN HB2 H 2.229 0.000 . 918 86 86 GLN HB3 H 1.893 0.000 . 919 86 86 GLN HG2 H 2.290 0.000 . 920 86 86 GLN HG3 H 2.384 0.000 . 921 86 86 GLN HE21 H 7.456 0.000 . 922 86 86 GLN HE22 H 6.846 0.000 . 923 86 86 GLN C C 175.590 0.000 . 924 86 86 GLN CA C 60.756 0.000 . 925 86 86 GLN CB C 34.013 0.000 . 926 86 86 GLN CG C 33.967 0.000 . 927 86 86 GLN N N 122.965 0.000 . 928 86 86 GLN NE2 N 110.349 0.000 . 929 87 87 ALA H H 8.907 0.000 . 930 87 87 ALA HA H 4.356 0.000 . 931 87 87 ALA HB H 1.509 0.000 . 932 87 87 ALA C C 178.095 0.000 . 933 87 87 ALA CA C 52.825 0.000 . 934 87 87 ALA CB C 18.534 0.000 . 935 87 87 ALA N N 123.174 0.000 . 936 88 88 SER H H 8.343 0.000 . 937 88 88 SER HA H 4.294 0.000 . 938 88 88 SER HB2 H 3.898 0.000 . 939 88 88 SER HB3 H 3.861 0.000 . 940 88 88 SER C C 175.470 0.000 . 941 88 88 SER CA C 59.617 0.000 . 942 88 88 SER CB C 63.409 0.000 . 943 88 88 SER N N 114.952 0.000 . 944 89 89 GLN H H 8.348 0.000 . 945 89 89 GLN HA H 4.313 0.000 . 946 89 89 GLN HB2 H 2.055 0.000 . 947 89 89 GLN HB3 H 1.825 0.000 . 948 89 89 GLN HG2 H 2.273 0.000 . 949 89 89 GLN HE21 H 6.814 0.000 . 950 89 89 GLN HE22 H 7.598 0.000 . 951 89 89 GLN C C 175.838 0.000 . 952 89 89 GLN CA C 55.286 0.000 . 953 89 89 GLN CB C 29.333 0.000 . 954 89 89 GLN CG C 33.638 0.000 . 955 89 89 GLN N N 121.151 0.000 . 956 89 89 GLN NE2 N 112.167 0.000 . 957 90 90 ALA H H 8.245 0.000 . 958 90 90 ALA HA H 4.203 0.000 . 959 90 90 ALA HB H 1.391 0.000 . 960 90 90 ALA C C 178.381 0.000 . 961 90 90 ALA CA C 52.762 0.000 . 962 90 90 ALA CB C 19.071 0.000 . 963 90 90 ALA N N 124.942 0.000 . 964 91 91 GLU H H 8.414 0.000 . 965 91 91 GLU HA H 4.153 0.000 . 966 91 91 GLU HB2 H 1.859 0.000 . 967 91 91 GLU HB3 H 1.978 0.000 . 968 91 91 GLU HG2 H 2.167 0.000 . 969 91 91 GLU HG3 H 2.167 0.000 . 970 91 91 GLU C C 176.986 0.000 . 971 91 91 GLU CA C 56.535 0.000 . 972 91 91 GLU CB C 30.029 0.000 . 973 91 91 GLU CG C 36.019 0.000 . 974 91 91 GLU N N 119.604 0.000 . 975 92 92 LYS H H 8.212 0.000 . 976 92 92 LYS HA H 4.290 0.000 . 977 92 92 LYS HB2 H 1.751 0.000 . 978 92 92 LYS HB3 H 1.833 0.000 . 979 92 92 LYS HG2 H 1.410 0.000 . 980 92 92 LYS HG3 H 1.410 0.000 . 981 92 92 LYS C C 176.699 0.000 . 982 92 92 LYS CA C 56.042 0.000 . 983 92 92 LYS CB C 32.705 0.000 . 984 92 92 LYS CG C 24.628 0.000 . 985 92 92 LYS N N 121.284 0.000 . 986 93 93 ASN H H 8.370 0.000 . 987 93 93 ASN HA H 4.700 0.000 . 988 93 93 ASN HB2 H 2.721 0.000 . 989 93 93 ASN HB3 H 2.823 0.000 . 990 93 93 ASN HD21 H 7.635 0.000 . 991 93 93 ASN HD22 H 6.944 0.000 . 992 93 93 ASN C C 174.424 0.000 . 993 93 93 ASN CA C 53.110 0.000 . 994 93 93 ASN CB C 38.726 0.000 . 995 93 93 ASN N N 119.221 0.000 . 996 93 93 ASN ND2 N 113.014 0.000 . 997 94 94 ARG H H 7.813 0.000 . 998 94 94 ARG HA H 4.151 0.000 . 999 94 94 ARG HB2 H 1.718 0.000 . 1000 94 94 ARG HB3 H 1.718 0.000 . 1001 94 94 ARG CA C 57.238 0.000 . 1002 94 94 ARG CB C 31.449 0.000 . 1003 94 94 ARG N N 125.664 0.000 . stop_ save_