data_16311 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the complex of VEK-30 and plasminogen kringle 2 ; _BMRB_accession_number 16311 _BMRB_flat_file_name bmr16311.str _Entry_type original _Submission_date 2009-05-21 _Accession_date 2009-05-21 _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 Wang Min . . 2 Zajicek Jaroslav . . 3 Prorok Mary . . 4 Castellin Francis J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 741 "13C chemical shifts" 523 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2010-03-05 update BMRB 'completed entry citation' 2009-10-14 original BMRB 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the complex of VEK-30 and plasminogen kringle 2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19800007 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Min . . 2 Zajicek Jaroslav . . 3 Geiger James H. . 4 Prorok Mary . . 5 Castellino Francis J. . stop_ _Journal_abbreviation 'J. Struct. Biol.' _Journal_name_full 'Journal of structural biology' _Journal_volume 169 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 349 _Page_last 359 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VEK-30/plasminogen kringle 2 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'plasminogen kringle 2' $entity_1 VEK-30 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'plasminogen kringle 2' _Molecular_mass 10166.405 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; YVEFSEECMHGSGENYDGKI SKTMSGLECQAWDSQSPHAH GYIPSKFPNKNLKKNYCRNP DRDLRPWCFTTDPNKRWEYC DIPRCAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 TYR 2 -6 VAL 3 -5 GLU 4 -4 PHE 5 -3 SER 6 -2 GLU 7 -1 GLU 8 1 CYS 9 2 MET 10 3 HIS 11 4 GLY 12 5 SER 13 6 GLY 14 7 GLU 15 8 ASN 16 9 TYR 17 10 ASP 18 11 GLY 19 12 LYS 20 13 ILE 21 14 SER 22 15 LYS 23 16 THR 24 17 MET 25 18 SER 26 19 GLY 27 20 LEU 28 21 GLU 29 22 CYS 30 23 GLN 31 24 ALA 32 25 TRP 33 26 ASP 34 27 SER 35 28 GLN 36 29 SER 37 30 PRO 38 31 HIS 39 32 ALA 40 33 HIS 41 34 GLY 42 35 TYR 43 36 ILE 44 37 PRO 45 38 SER 46 39 LYS 47 40 PHE 48 41 PRO 49 42 ASN 50 43 LYS 51 44 ASN 52 45 LEU 53 46 LYS 54 47 LYS 55 48 ASN 56 49 TYR 57 50 CYS 58 51 ARG 59 52 ASN 60 53 PRO 61 54 ASP 62 55 ARG 63 56 ASP 64 57 LEU 65 58 ARG 66 59 PRO 67 60 TRP 68 61 CYS 69 62 PHE 70 63 THR 71 64 THR 72 65 ASP 73 66 PRO 74 67 ASN 75 68 LYS 76 69 ARG 77 70 TRP 78 71 GLU 79 72 TYR 80 73 CYS 81 74 ASP 82 75 ILE 83 76 PRO 84 77 ARG 85 78 CYS 86 79 ALA 87 80 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 1I5K "Structure And Binding Determinants Of The Recombinant Kringle-2 Domain Of Human Plasminogen To An Internal Peptide From A Group" 96.55 84 100.00 100.00 4.06e-56 PDB 2KJ4 "Solution Structure Of The Complex Of Vek-30 And Plasminogen Kringle 2" 100.00 87 100.00 100.00 1.34e-58 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VEK-30 _Molecular_mass 3779.188 _Mol_thiol_state 'not present' _Details . _Residue_count 32 _Mol_residue_sequence ; GSVEKLTADAELQRLKNERH EEAELERLKSEY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 1 VAL 4 2 GLU 5 3 LYS 6 4 LEU 7 5 THR 8 6 ALA 9 7 ASP 10 8 ALA 11 9 GLU 12 10 LEU 13 11 GLN 14 12 ARG 15 13 LEU 16 14 LYS 17 15 ASN 18 16 GLU 19 17 ARG 20 18 HIS 21 19 GLU 22 20 GLU 23 21 ALA 24 22 GLU 25 23 LEU 26 24 GLU 27 25 ARG 28 26 LEU 29 27 LYS 30 28 SER 31 29 GLU 32 30 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 1I5K "Structure And Binding Determinants Of The Recombinant Kringle-2 Domain Of Human Plasminogen To An Internal Peptide From A Group" 93.75 30 100.00 100.00 1.03e-09 PDB 2DOI "The X-Ray Crystallographic Structure Of The Angiogenesis Inhibitor, Angiostatin, Bound To A Peptide From The Group A Streptococ" 93.75 30 100.00 100.00 1.03e-09 PDB 2KJ4 "Solution Structure Of The Complex Of Vek-30 And Plasminogen Kringle 2" 96.88 32 100.00 100.00 2.59e-10 EMBL CAA80222 "PAM protein [Streptococcus pyogenes]" 90.63 388 100.00 100.00 1.13e-07 GB AAN64682 "M protein [Streptococcus pyogenes]" 59.38 303 100.00 100.00 3.99e-02 GB AAQ64516 "M protein [Streptococcus pyogenes]" 90.63 388 100.00 100.00 1.12e-07 GB AAQ64518 "M protein [Streptococcus pyogenes]" 90.63 388 100.00 100.00 1.12e-07 GB AAQ64521 "M protein [Streptococcus pyogenes]" 90.63 388 100.00 100.00 1.12e-07 GB AEQ25265 "plasminogen-binding group A steptococcal M-like protein PAM [Streptococcus pyogenes Alab49]" 90.63 427 100.00 100.00 1.29e-07 REF WP_014635750 "plasminogen-binding group A steptococcal M-like protein PAM [Streptococcus pyogenes]" 90.63 427 100.00 100.00 1.29e-07 REF WP_023609730 "putative plasminogen-binding group A steptococcal M-like protein PAM [Streptococcus pyogenes]" 90.63 262 100.00 100.00 6.00e-08 REF YP_006072819 "plasminogen-binding group A steptococcal M-like protein PAM [Streptococcus pyogenes Alab49]" 90.63 427 100.00 100.00 1.29e-07 SP P49054 "RecName: Full=Plasminogen-binding group A streptococcal M-like protein PAM; Flags: Precursor, partial [Streptococcus pyogenes]" 90.63 388 100.00 100.00 1.13e-07 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_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 . . . . synthetic construct stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Pichia pastoris . pPIC9K $entity_2 'recombinant technology' . Escherichia coli . PET-15b 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_1 1 mM '[U-13C; U-15N]' $entity_2 1 mM 'natural abundance' HEPES 50 mM '[U-100% 2H]' 'sodium chloride' 200 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' DSS 0.2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM 'natural abundance' $entity_2 1 mM [U-15N] HEPES 50 mM '[U-100% 2H]' 'sodium chloride' 200 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' DSS 0.2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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' 0.2 . M pH 7.0 0.1 pH pressure 1 . atm temperature 298 0.2 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 'plasminogen kringle 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 VAL H H 7.944 0.02 1 2 2 2 VAL HA H 4.035 0.02 1 3 2 2 VAL HB H 1.899 0.02 1 4 2 2 VAL HG1 H 0.811 0.02 2 5 2 2 VAL HG2 H 0.861 0.02 2 6 2 2 VAL C C 174.807 0.2 1 7 2 2 VAL CA C 61.947 0.2 1 8 2 2 VAL CB C 33.175 0.2 1 9 2 2 VAL CG1 C 21.240 0.2 2 10 2 2 VAL CG2 C 21.612 0.2 2 11 2 2 VAL N N 123.960 0.2 1 12 3 3 GLU H H 8.465 0.02 1 13 3 3 GLU HA H 4.168 0.02 1 14 3 3 GLU HB2 H 1.865 0.02 2 15 3 3 GLU HB3 H 1.907 0.02 2 16 3 3 GLU HG2 H 2.170 0.02 2 17 3 3 GLU HG3 H 2.170 0.02 2 18 3 3 GLU C C 175.888 0.2 1 19 3 3 GLU CA C 56.487 0.2 1 20 3 3 GLU CB C 30.349 0.2 1 21 3 3 GLU CG C 36.099 0.2 1 22 3 3 GLU N N 125.549 0.2 1 23 4 4 PHE H H 8.330 0.02 1 24 4 4 PHE HA H 4.651 0.02 1 25 4 4 PHE HB2 H 3.057 0.02 2 26 4 4 PHE HB3 H 3.107 0.02 2 27 4 4 PHE HD1 H 7.281 0.02 3 28 4 4 PHE HD2 H 7.281 0.02 3 29 4 4 PHE HE1 H 7.306 0.02 3 30 4 4 PHE HE2 H 7.306 0.02 3 31 4 4 PHE HZ H 7.324 0.02 1 32 4 4 PHE C C 175.550 0.2 1 33 4 4 PHE CA C 57.827 0.2 1 34 4 4 PHE CB C 39.623 0.2 1 35 4 4 PHE CD1 C 131.980 0.2 3 36 4 4 PHE CD2 C 131.980 0.2 3 37 4 4 PHE CE1 C 129.997 0.2 3 38 4 4 PHE CE2 C 129.997 0.2 3 39 4 4 PHE CZ C 129.462 0.2 1 40 4 4 PHE N N 121.869 0.2 1 41 5 5 SER H H 8.177 0.02 1 42 5 5 SER HA H 4.395 0.02 1 43 5 5 SER HB2 H 3.765 0.02 2 44 5 5 SER HB3 H 3.798 0.02 2 45 5 5 SER C C 173.996 0.2 1 46 5 5 SER CA C 58.045 0.2 1 47 5 5 SER CB C 64.050 0.2 1 48 5 5 SER N N 117.865 0.2 1 49 6 6 GLU H H 8.425 0.02 1 50 6 6 GLU HA H 4.290 0.02 1 51 6 6 GLU HB2 H 2.151 0.02 2 52 6 6 GLU HB3 H 1.962 0.02 2 53 6 6 GLU HG2 H 2.335 0.02 2 54 6 6 GLU HG3 H 2.335 0.02 2 55 6 6 GLU C C 176.699 0.2 1 56 6 6 GLU CA C 56.479 0.2 1 57 6 6 GLU CB C 30.715 0.2 1 58 6 6 GLU CG C 36.588 0.2 1 59 6 6 GLU N N 122.791 0.2 1 60 7 7 GLU H H 8.421 0.02 1 61 7 7 GLU HA H 4.742 0.02 1 62 7 7 GLU HB2 H 2.189 0.02 2 63 7 7 GLU HB3 H 1.795 0.02 2 64 7 7 GLU HG2 H 2.287 0.02 2 65 7 7 GLU HG3 H 2.287 0.02 2 66 7 7 GLU C C 175.145 0.2 1 67 7 7 GLU CA C 55.617 0.2 1 68 7 7 GLU CB C 29.095 0.2 1 69 7 7 GLU CG C 35.337 0.2 1 70 7 7 GLU N N 122.775 0.2 1 71 8 8 CYS H H 7.917 0.02 1 72 8 8 CYS HA H 4.969 0.02 1 73 8 8 CYS HB2 H 3.071 0.02 2 74 8 8 CYS HB3 H 2.923 0.02 2 75 8 8 CYS C C 171.610 0.2 1 76 8 8 CYS CA C 53.880 0.2 1 77 8 8 CYS CB C 43.144 0.2 1 78 8 8 CYS N N 115.067 0.2 1 79 9 9 MET H H 9.379 0.02 1 80 9 9 MET HA H 5.049 0.02 1 81 9 9 MET HB2 H 1.916 0.02 2 82 9 9 MET HB3 H 1.538 0.02 2 83 9 9 MET HG2 H 2.287 0.02 2 84 9 9 MET HG3 H 2.089 0.02 2 85 9 9 MET C C 174.038 0.2 1 86 9 9 MET CA C 53.312 0.2 1 87 9 9 MET CB C 36.165 0.2 1 88 9 9 MET CG C 31.297 0.2 1 89 9 9 MET N N 117.763 0.2 1 90 10 10 HIS H H 9.610 0.02 1 91 10 10 HIS HA H 4.877 0.02 1 92 10 10 HIS HB2 H 3.082 0.02 2 93 10 10 HIS HB3 H 3.196 0.02 2 94 10 10 HIS HD1 H 7.298 0.02 1 95 10 10 HIS HD2 H 6.855 0.02 1 96 10 10 HIS HE1 H 8.329 0.02 1 97 10 10 HIS HE2 H 9.569 0.02 1 98 10 10 HIS C C 176.698 0.2 1 99 10 10 HIS CA C 55.016 0.2 1 100 10 10 HIS CB C 31.116 0.2 1 101 10 10 HIS CD2 C 118.501 0.2 1 102 10 10 HIS CE1 C 139.100 0.2 1 103 10 10 HIS N N 124.293 0.2 1 104 11 11 GLY H H 9.249 0.02 1 105 11 11 GLY HA2 H 4.104 0.02 2 106 11 11 GLY HA3 H 3.843 0.02 2 107 11 11 GLY C C 174.559 0.2 1 108 11 11 GLY CA C 47.652 0.2 1 109 11 11 GLY N N 115.224 0.2 1 110 12 12 SER H H 8.999 0.02 1 111 12 12 SER HA H 4.653 0.02 1 112 12 12 SER HB2 H 3.928 0.02 2 113 12 12 SER HB3 H 3.928 0.02 2 114 12 12 SER C C 176.178 0.2 1 115 12 12 SER CA C 57.731 0.2 1 116 12 12 SER CB C 63.439 0.2 1 117 12 12 SER N N 121.965 0.2 1 118 13 13 GLY H H 9.022 0.02 1 119 13 13 GLY HA2 H 4.052 0.02 2 120 13 13 GLY HA3 H 3.957 0.02 2 121 13 13 GLY C C 176.178 0.2 1 122 13 13 GLY CA C 47.972 0.2 1 123 13 13 GLY N N 109.294 0.2 1 124 14 14 GLU H H 9.552 0.02 1 125 14 14 GLU HA H 4.347 0.02 1 126 14 14 GLU HB2 H 2.066 0.02 2 127 14 14 GLU HB3 H 2.066 0.02 2 128 14 14 GLU HG2 H 2.349 0.02 2 129 14 14 GLU HG3 H 2.349 0.02 2 130 14 14 GLU C C 177.045 0.2 1 131 14 14 GLU CA C 60.282 0.2 1 132 14 14 GLU CB C 29.145 0.2 1 133 14 14 GLU CG C 37.015 0.2 1 134 14 14 GLU N N 123.736 0.2 1 135 15 15 ASN H H 8.425 0.02 1 136 15 15 ASN HA H 5.030 0.02 1 137 15 15 ASN HB2 H 2.975 0.02 2 138 15 15 ASN HB3 H 2.785 0.02 2 139 15 15 ASN HD21 H 7.673 0.02 2 140 15 15 ASN C C 174.848 0.2 1 141 15 15 ASN CA C 51.725 0.2 1 142 15 15 ASN CB C 38.404 0.2 1 143 15 15 ASN N N 112.918 0.2 1 144 15 15 ASN ND2 N 113.291 0.2 1 145 15 15 ASN HD22 H 6.905 0.2 1 146 16 16 TYR H H 7.622 0.02 1 147 16 16 TYR HA H 4.445 0.02 1 148 16 16 TYR HB2 H 3.100 0.02 2 149 16 16 TYR HB3 H 3.100 0.02 2 150 16 16 TYR HD1 H 7.089 0.02 3 151 16 16 TYR HD2 H 7.089 0.02 3 152 16 16 TYR HE1 H 6.841 0.02 3 153 16 16 TYR HE2 H 6.841 0.02 3 154 16 16 TYR HH H 10.642 0.02 1 155 16 16 TYR C C 175.773 0.2 1 156 16 16 TYR CA C 60.125 0.2 1 157 16 16 TYR CB C 38.590 0.2 1 158 16 16 TYR CD1 C 133.382 0.2 3 159 16 16 TYR CD2 C 133.382 0.2 3 160 16 16 TYR CE1 C 118.234 0.2 3 161 16 16 TYR CE2 C 118.234 0.2 3 162 16 16 TYR N N 121.437 0.2 1 163 17 17 ASP H H 8.722 0.02 1 164 17 17 ASP HA H 4.599 0.02 1 165 17 17 ASP HB2 H 2.329 0.02 2 166 17 17 ASP HB3 H 2.329 0.02 2 167 17 17 ASP C C 175.748 0.2 1 168 17 17 ASP CA C 52.327 0.2 1 169 17 17 ASP CB C 42.265 0.2 1 170 17 17 ASP N N 130.345 0.2 1 171 18 18 GLY H H 4.504 0.02 1 172 18 18 GLY HA2 H 4.092 0.02 2 173 18 18 GLY HA3 H 3.786 0.02 2 174 18 18 GLY C C 174.732 0.2 1 175 18 18 GLY CA C 44.739 0.2 1 176 18 18 GLY N N 104.445 0.2 1 177 19 19 LYS H H 9.272 0.02 1 178 19 19 LYS HA H 3.248 0.02 1 179 19 19 LYS HB2 H 1.639 0.02 2 180 19 19 LYS HB3 H 1.639 0.02 2 181 19 19 LYS HD2 H 1.570 0.02 2 182 19 19 LYS HD3 H 1.570 0.02 2 183 19 19 LYS HE2 H 2.940 0.02 2 184 19 19 LYS HE3 H 2.940 0.02 2 185 19 19 LYS HG2 H 1.040 0.02 2 186 19 19 LYS HG3 H 1.284 0.02 2 187 19 19 LYS C C 176.409 0.2 1 188 19 19 LYS CA C 55.454 0.2 1 189 19 19 LYS CB C 32.499 0.2 1 190 19 19 LYS CD C 29.560 0.2 1 191 19 19 LYS CE C 42.114 0.2 1 192 19 19 LYS CG C 25.100 0.2 1 193 19 19 LYS N N 117.569 0.2 1 194 20 20 ILE H H 7.559 0.02 1 195 20 20 ILE HA H 3.991 0.02 1 196 20 20 ILE HB H 1.982 0.02 1 197 20 20 ILE HD1 H 0.356 0.02 1 198 20 20 ILE HG12 H 1.666 0.02 2 199 20 20 ILE HG13 H 1.234 0.02 2 200 20 20 ILE HG2 H 0.992 0.02 1 201 20 20 ILE C C 176.756 0.2 1 202 20 20 ILE CA C 64.261 0.2 1 203 20 20 ILE CB C 36.212 0.2 1 204 20 20 ILE CD1 C 13.230 0.2 1 205 20 20 ILE CG1 C 29.516 0.2 1 206 20 20 ILE CG2 C 18.072 0.2 1 207 20 20 ILE N N 122.778 0.2 1 208 21 21 SER H H 8.817 0.02 1 209 21 21 SER HA H 5.128 0.02 1 210 21 21 SER HB2 H 4.483 0.02 2 211 21 21 SER HB3 H 3.507 0.02 2 212 21 21 SER C C 172.708 0.2 1 213 21 21 SER CA C 57.513 0.2 1 214 21 21 SER CB C 65.126 0.2 1 215 21 21 SER N N 122.859 0.2 1 216 22 22 LYS H H 7.150 0.02 1 217 22 22 LYS HA H 5.530 0.02 1 218 22 22 LYS HB2 H 1.602 0.02 2 219 22 22 LYS HB3 H 1.602 0.02 2 220 22 22 LYS HD2 H 1.625 0.02 2 221 22 22 LYS HD3 H 1.625 0.02 2 222 22 22 LYS HE2 H 3.031 0.02 2 223 22 22 LYS HE3 H 3.031 0.02 2 224 22 22 LYS HG2 H 1.417 0.02 2 225 22 22 LYS HG3 H 1.417 0.02 2 226 22 22 LYS C C 176.120 0.2 1 227 22 22 LYS CA C 53.471 0.2 1 228 22 22 LYS CB C 37.049 0.2 1 229 22 22 LYS CD C 29.771 0.2 1 230 22 22 LYS CE C 39.364 0.2 1 231 22 22 LYS CG C 24.329 0.2 1 232 22 22 LYS N N 119.681 0.2 1 233 23 23 THR H H 9.134 0.02 1 234 23 23 THR HA H 4.630 0.02 1 235 23 23 THR HB H 4.553 0.02 1 236 23 23 THR HG1 H 6.051 0.02 1 237 23 23 THR HG2 H 1.214 0.02 1 238 23 23 THR C C 177.971 0.2 1 239 23 23 THR CA C 61.032 0.2 1 240 23 23 THR CB C 70.818 0.2 1 241 23 23 THR CG2 C 23.230 0.2 1 242 23 23 THR N N 111.072 0.2 1 243 24 24 MET H H 9.383 0.02 1 244 24 24 MET HA H 4.168 0.02 1 245 24 24 MET HB2 H 2.193 0.02 2 246 24 24 MET HB3 H 1.771 0.02 2 247 24 24 MET HG2 H 2.387 0.02 2 248 24 24 MET HG3 H 2.650 0.02 2 249 24 24 MET C C 176.122 0.2 1 250 24 24 MET CA C 58.704 0.2 1 251 24 24 MET CB C 32.546 0.2 1 252 24 24 MET CG C 30.843 0.2 1 253 24 24 MET N N 118.120 0.2 1 254 25 25 SER H H 7.763 0.02 1 255 25 25 SER HA H 4.575 0.02 1 256 25 25 SER HB2 H 4.082 0.02 2 257 25 25 SER HB3 H 3.905 0.02 2 258 25 25 SER HG H 6.060 0.02 1 259 25 25 SER C C 174.848 0.2 1 260 25 25 SER CA C 58.895 0.2 1 261 25 25 SER CB C 62.844 0.2 1 262 25 25 SER N N 113.626 0.2 1 263 26 26 GLY H H 8.136 0.02 1 264 26 26 GLY HA2 H 4.305 0.02 2 265 26 26 GLY HA3 H 3.503 0.02 2 266 26 26 GLY C C 174.212 0.2 1 267 26 26 GLY CA C 45.125 0.2 1 268 26 26 GLY N N 110.819 0.2 1 269 27 27 LEU H H 7.183 0.02 1 270 27 27 LEU HA H 4.319 0.02 1 271 27 27 LEU HB2 H 1.982 0.02 2 272 27 27 LEU HB3 H 1.276 0.02 2 273 27 27 LEU HD1 H 0.882 0.02 2 274 27 27 LEU HD2 H 0.872 0.02 2 275 27 27 LEU HG H 1.562 0.02 1 276 27 27 LEU C C 176.178 0.2 1 277 27 27 LEU CA C 54.211 0.2 1 278 27 27 LEU CB C 42.260 0.2 1 279 27 27 LEU CD1 C 25.990 0.2 2 280 27 27 LEU CD2 C 23.320 0.2 2 281 27 27 LEU CG C 25.728 0.2 1 282 27 27 LEU N N 120.765 0.2 1 283 28 28 GLU H H 8.699 0.02 1 284 28 28 GLU HA H 4.506 0.02 1 285 28 28 GLU HB2 H 1.984 0.02 2 286 28 28 GLU HB3 H 2.024 0.02 2 287 28 28 GLU HG2 H 2.394 0.02 2 288 28 28 GLU HG3 H 2.394 0.02 2 289 28 28 GLU C C 177.161 0.2 1 290 28 28 GLU CA C 56.451 0.2 1 291 28 28 GLU CB C 30.018 0.2 1 292 28 28 GLU CG C 35.519 0.2 1 293 28 28 GLU N N 122.582 0.2 1 294 29 29 CYS H H 8.624 0.02 1 295 29 29 CYS HA H 4.812 0.02 1 296 29 29 CYS HB2 H 3.249 0.02 2 297 29 29 CYS HB3 H 2.652 0.02 2 298 29 29 CYS C C 177.045 0.2 1 299 29 29 CYS CA C 55.189 0.2 1 300 29 29 CYS CB C 37.938 0.2 1 301 29 29 CYS N N 125.564 0.2 1 302 30 30 GLN H H 9.664 0.02 1 303 30 30 GLN HA H 3.841 0.02 1 304 30 30 GLN HB2 H 1.192 0.02 2 305 30 30 GLN HB3 H 1.771 0.02 2 306 30 30 GLN HE21 H 7.785 0.02 2 307 30 30 GLN HE22 H 6.189 0.02 2 308 30 30 GLN HG2 H 2.430 0.02 2 309 30 30 GLN HG3 H 2.220 0.02 2 310 30 30 GLN C C 175.310 0.2 1 311 30 30 GLN CA C 55.501 0.2 1 312 30 30 GLN CB C 29.943 0.2 1 313 30 30 GLN CG C 33.177 0.2 1 314 30 30 GLN N N 127.687 0.2 1 315 30 30 GLN NE2 N 110.530 0.2 1 316 31 31 ALA H H 8.728 0.02 1 317 31 31 ALA HA H 4.052 0.02 1 318 31 31 ALA HB H 1.306 0.02 1 319 31 31 ALA C C 178.722 0.2 1 320 31 31 ALA CA C 52.327 0.2 1 321 31 31 ALA CB C 18.034 0.2 1 322 31 31 ALA N N 128.680 0.2 1 323 32 32 TRP H H 7.703 0.02 1 324 32 32 TRP HA H 4.244 0.02 1 325 32 32 TRP HB2 H 3.664 0.02 2 326 32 32 TRP HB3 H 2.920 0.02 2 327 32 32 TRP HD1 H 7.104 0.02 1 328 32 32 TRP HE1 H 11.419 0.02 1 329 32 32 TRP HE3 H 7.790 0.02 1 330 32 32 TRP HH2 H 7.128 0.02 1 331 32 32 TRP HZ2 H 7.347 0.02 1 332 32 32 TRP HZ3 H 7.260 0.02 1 333 32 32 TRP C C 177.566 0.2 1 334 32 32 TRP CA C 59.531 0.2 1 335 32 32 TRP CB C 29.953 0.2 1 336 32 32 TRP CD1 C 127.751 0.2 1 337 32 32 TRP CE3 C 120.010 0.2 1 338 32 32 TRP CH2 C 123.140 0.2 1 339 32 32 TRP CZ2 C 115.120 0.2 1 340 32 32 TRP CZ3 C 119.713 0.2 1 341 32 32 TRP N N 123.505 0.2 1 342 32 32 TRP NE1 N 131.483 0.2 1 343 33 33 ASP H H 8.797 0.02 1 344 33 33 ASP HA H 4.634 0.02 1 345 33 33 ASP HB2 H 2.843 0.02 2 346 33 33 ASP HB3 H 2.843 0.02 2 347 33 33 ASP C C 175.831 0.2 1 348 33 33 ASP CA C 54.398 0.2 1 349 33 33 ASP CB C 40.707 0.2 1 350 33 33 ASP N N 113.424 0.2 1 351 34 34 SER H H 8.039 0.02 1 352 34 34 SER HA H 4.737 0.02 1 353 34 34 SER HB2 H 4.189 0.02 2 354 34 34 SER HB3 H 3.961 0.02 2 355 34 34 SER HG H 6.173 0.02 1 356 34 34 SER C C 174.096 0.2 1 357 34 34 SER CA C 56.454 0.2 1 358 34 34 SER CB C 65.137 0.2 1 359 34 34 SER N N 114.429 0.2 1 360 35 35 GLN H H 8.387 0.02 1 361 35 35 GLN HA H 4.426 0.02 1 362 35 35 GLN HB2 H 1.494 0.02 2 363 35 35 GLN HB3 H 2.664 0.02 2 364 35 35 GLN HE21 H 8.131 0.02 2 365 35 35 GLN HE22 H 6.089 0.02 2 366 35 35 GLN HG2 H 2.212 0.02 2 367 35 35 GLN HG3 H 2.212 0.02 2 368 35 35 GLN C C 173.518 0.2 1 369 35 35 GLN CA C 54.020 0.2 1 370 35 35 GLN CB C 28.804 0.2 1 371 35 35 GLN CG C 32.581 0.2 1 372 35 35 GLN N N 123.700 0.2 1 373 35 35 GLN NE2 N 116.583 0.2 1 374 36 36 SER H H 7.746 0.02 1 375 36 36 SER HA H 4.466 0.02 1 376 36 36 SER HB2 H 3.518 0.02 2 377 36 36 SER HB3 H 3.518 0.02 2 378 36 36 SER HG H 5.346 0.02 1 379 36 36 SER C C 172.824 0.2 1 380 36 36 SER CA C 54.749 0.2 1 381 36 36 SER CB C 65.162 0.2 1 382 36 36 SER N N 112.974 0.2 1 383 37 37 PRO HA H 4.382 0.02 1 384 37 37 PRO HB2 H 2.180 0.02 2 385 37 37 PRO HB3 H 1.225 0.02 2 386 37 37 PRO HD2 H 3.262 0.02 2 387 37 37 PRO HD3 H 3.952 0.02 2 388 37 37 PRO HG2 H 2.450 0.02 2 389 37 37 PRO HG3 H 1.279 0.02 2 390 37 37 PRO C C 176.351 0.2 1 391 37 37 PRO CA C 64.110 0.2 1 392 37 37 PRO CB C 33.670 0.2 1 393 37 37 PRO CD C 50.050 0.2 1 394 37 37 PRO CG C 24.735 0.2 1 395 38 38 HIS H H 8.764 0.02 1 396 38 38 HIS HA H 4.897 0.02 1 397 38 38 HIS HB2 H 3.037 0.02 2 398 38 38 HIS HB3 H 2.815 0.02 2 399 38 38 HIS HD2 H 6.860 0.02 1 400 38 38 HIS HE1 H 8.234 0.02 1 401 38 38 HIS C C 178.144 0.2 1 402 38 38 HIS CA C 55.580 0.2 1 403 38 38 HIS CB C 30.421 0.2 1 404 38 38 HIS CD2 C 119.950 0.2 1 405 38 38 HIS CE1 C 137.481 0.2 1 406 38 38 HIS N N 122.516 0.2 1 407 39 39 ALA H H 8.673 0.02 1 408 39 39 ALA HA H 4.493 0.02 1 409 39 39 ALA HB H 1.427 0.02 1 410 39 39 ALA C C 178.375 0.2 1 411 39 39 ALA CA C 51.440 0.2 1 412 39 39 ALA CB C 18.980 0.2 1 413 39 39 ALA N N 128.546 0.2 1 414 40 40 HIS H H 9.291 0.02 1 415 40 40 HIS HA H 4.734 0.02 1 416 40 40 HIS HB2 H 2.105 0.02 2 417 40 40 HIS HB3 H 3.099 0.02 2 418 40 40 HIS HD2 H 7.125 0.02 1 419 40 40 HIS HE1 H 8.331 0.02 1 420 40 40 HIS HE2 H 10.346 0.02 1 421 40 40 HIS C C 175.484 0.2 1 422 40 40 HIS CA C 56.141 0.2 1 423 40 40 HIS CB C 35.545 0.2 1 424 40 40 HIS CD2 C 120.118 0.2 1 425 40 40 HIS CE1 C 138.985 0.2 1 426 40 40 HIS N N 120.682 0.2 1 427 41 41 GLY H H 9.080 0.02 1 428 41 41 GLY HA2 H 4.602 0.02 2 429 41 41 GLY HA3 H 3.671 0.02 2 430 41 41 GLY C C 176.409 0.2 1 431 41 41 GLY CA C 44.724 0.2 1 432 41 41 GLY N N 106.159 0.2 1 433 42 42 TYR H H 11.980 0.02 1 434 42 42 TYR HA H 4.616 0.02 1 435 42 42 TYR HB2 H 3.179 0.02 2 436 42 42 TYR HB3 H 4.169 0.02 2 437 42 42 TYR HD1 H 6.832 0.02 3 438 42 42 TYR HD2 H 6.832 0.02 3 439 42 42 TYR HE1 H 6.986 0.02 3 440 42 42 TYR HE2 H 6.986 0.02 3 441 42 42 TYR C C 174.385 0.2 1 442 42 42 TYR CA C 57.579 0.2 1 443 42 42 TYR CB C 36.198 0.2 1 444 42 42 TYR CD1 C 133.433 0.2 3 445 42 42 TYR CD2 C 133.433 0.2 3 446 42 42 TYR CE1 C 117.692 0.2 3 447 42 42 TYR CE2 C 117.692 0.2 3 448 42 42 TYR N N 133.554 0.2 1 449 43 43 ILE H H 7.120 0.02 1 450 43 43 ILE HA H 4.630 0.02 1 451 43 43 ILE HB H 1.643 0.02 1 452 43 43 ILE HD1 H 0.829 0.02 1 453 43 43 ILE HG12 H 1.444 0.02 2 454 43 43 ILE HG13 H 1.251 0.02 2 455 43 43 ILE HG2 H 1.004 0.02 1 456 43 43 ILE C C 177.219 0.2 1 457 43 43 ILE CA C 58.201 0.2 1 458 43 43 ILE CB C 38.761 0.2 1 459 43 43 ILE CD1 C 12.023 0.2 1 460 43 43 ILE CG1 C 27.801 0.2 1 461 43 43 ILE CG2 C 17.446 0.2 1 462 43 43 ILE N N 118.881 0.2 1 463 44 44 PRO HA H 4.193 0.02 1 464 44 44 PRO HB2 H 2.186 0.02 2 465 44 44 PRO HB3 H 2.570 0.02 2 466 44 44 PRO HD2 H 3.945 0.02 2 467 44 44 PRO HD3 H 3.252 0.02 2 468 44 44 PRO HG2 H 1.753 0.02 2 469 44 44 PRO HG3 H 2.238 0.02 2 470 44 44 PRO C C 178.780 0.2 1 471 44 44 PRO CA C 67.061 0.2 1 472 44 44 PRO CB C 32.267 0.2 1 473 44 44 PRO CD C 50.957 0.2 1 474 44 44 PRO CG C 26.627 0.2 1 475 45 45 SER H H 7.984 0.02 1 476 45 45 SER HA H 4.087 0.02 1 477 45 45 SER HB2 H 3.892 0.02 2 478 45 45 SER HB3 H 3.892 0.02 2 479 45 45 SER HG H 4.835 0.02 1 480 45 45 SER C C 176.004 0.2 1 481 45 45 SER CA C 60.161 0.2 1 482 45 45 SER CB C 62.260 0.2 1 483 45 45 SER N N 107.865 0.2 1 484 46 46 LYS H H 7.769 0.02 1 485 46 46 LYS HA H 3.965 0.02 1 486 46 46 LYS HB2 H 1.413 0.02 2 487 46 46 LYS HB3 H 1.631 0.02 2 488 46 46 LYS HD2 H 1.230 0.02 2 489 46 46 LYS HD3 H 1.230 0.02 2 490 46 46 LYS HE2 H 2.823 0.02 2 491 46 46 LYS HE3 H 2.823 0.02 2 492 46 46 LYS HG2 H 1.106 0.02 2 493 46 46 LYS HG3 H 0.728 0.02 2 494 46 46 LYS C C 175.831 0.2 1 495 46 46 LYS CA C 57.349 0.2 1 496 46 46 LYS CB C 33.283 0.2 1 497 46 46 LYS CD C 29.227 0.2 1 498 46 46 LYS CE C 43.464 0.2 1 499 46 46 LYS CG C 25.054 0.2 1 500 46 46 LYS N N 121.944 0.2 1 501 47 47 PHE H H 7.018 0.02 1 502 47 47 PHE HA H 5.244 0.02 1 503 47 47 PHE HB2 H 3.063 0.02 2 504 47 47 PHE HB3 H 2.701 0.02 2 505 47 47 PHE HD1 H 7.225 0.02 3 506 47 47 PHE HD2 H 7.225 0.02 3 507 47 47 PHE HE1 H 7.526 0.02 3 508 47 47 PHE HE2 H 7.526 0.02 3 509 47 47 PHE HZ H 7.018 0.02 1 510 47 47 PHE C C 174.790 0.2 1 511 47 47 PHE CA C 54.142 0.2 1 512 47 47 PHE CB C 39.434 0.2 1 513 47 47 PHE CD1 C 132.480 0.2 3 514 47 47 PHE CD2 C 132.480 0.2 3 515 47 47 PHE CE1 C 130.982 0.2 3 516 47 47 PHE CE2 C 130.982 0.2 3 517 47 47 PHE N N 115.480 0.2 1 518 48 48 PRO HA H 4.472 0.02 1 519 48 48 PRO HB2 H 2.255 0.02 2 520 48 48 PRO HB3 H 2.056 0.02 2 521 48 48 PRO HD2 H 3.288 0.02 2 522 48 48 PRO HD3 H 3.612 0.02 2 523 48 48 PRO HG2 H 1.981 0.02 2 524 48 48 PRO HG3 H 1.456 0.02 2 525 48 48 PRO C C 177.681 0.2 1 526 48 48 PRO CA C 65.513 0.2 1 527 48 48 PRO CB C 31.712 0.2 1 528 48 48 PRO CD C 50.690 0.2 1 529 48 48 PRO CG C 28.865 0.2 1 530 49 49 ASN H H 8.559 0.02 1 531 49 49 ASN HA H 4.818 0.02 1 532 49 49 ASN HB2 H 3.049 0.02 2 533 49 49 ASN HB3 H 2.922 0.02 2 534 49 49 ASN HD21 H 7.668 0.02 2 535 49 49 ASN HD22 H 7.025 0.02 2 536 49 49 ASN C C 175.715 0.2 1 537 49 49 ASN CA C 53.372 0.2 1 538 49 49 ASN CB C 37.351 0.2 1 539 49 49 ASN N N 114.836 0.2 1 540 49 49 ASN ND2 N 112.463 0.2 1 541 50 50 LYS H H 7.627 0.02 1 542 50 50 LYS HA H 4.480 0.02 1 543 50 50 LYS HB2 H 1.564 0.02 2 544 50 50 LYS HB3 H 1.898 0.02 2 545 50 50 LYS HD2 H 1.624 0.02 2 546 50 50 LYS HD3 H 1.624 0.02 2 547 50 50 LYS HE2 H 3.062 0.02 2 548 50 50 LYS HE3 H 2.955 0.02 2 549 50 50 LYS HG2 H 1.260 0.02 2 550 50 50 LYS HG3 H 1.260 0.02 2 551 50 50 LYS C C 175.079 0.2 1 552 50 50 LYS CA C 53.336 0.2 1 553 50 50 LYS CB C 31.284 0.2 1 554 50 50 LYS CD C 28.650 0.2 1 555 50 50 LYS CE C 42.179 0.2 1 556 50 50 LYS CG C 25.079 0.2 1 557 50 50 LYS N N 116.224 0.2 1 558 51 51 ASN H H 7.945 0.02 1 559 51 51 ASN HA H 4.304 0.02 1 560 51 51 ASN HB2 H 3.134 0.02 2 561 51 51 ASN HB3 H 2.853 0.02 2 562 51 51 ASN HD21 H 7.818 0.02 2 563 51 51 ASN HD22 H 6.833 0.02 2 564 51 51 ASN C C 175.195 0.2 1 565 51 51 ASN CA C 54.089 0.2 1 566 51 51 ASN CB C 36.504 0.2 1 567 51 51 ASN N N 115.331 0.2 1 568 51 51 ASN ND2 N 113.497 0.2 1 569 52 52 LEU H H 8.803 0.02 1 570 52 52 LEU HA H 3.412 0.02 1 571 52 52 LEU HB2 H 1.378 0.02 2 572 52 52 LEU HB3 H 1.722 0.02 2 573 52 52 LEU HD1 H -0.833 0.02 2 574 52 52 LEU HD2 H 0.653 0.02 2 575 52 52 LEU HG H 1.080 0.02 1 576 52 52 LEU C C 174.674 0.2 1 577 52 52 LEU CA C 53.983 0.2 1 578 52 52 LEU CB C 42.471 0.2 1 579 52 52 LEU CD1 C 19.460 0.2 2 580 52 52 LEU CD2 C 25.400 0.2 2 581 52 52 LEU CG C 25.766 0.2 1 582 52 52 LEU N N 121.765 0.2 1 583 53 53 LYS H H 7.099 0.02 1 584 53 53 LYS HA H 4.324 0.02 1 585 53 53 LYS HB2 H 1.649 0.02 2 586 53 53 LYS HB3 H 1.772 0.02 2 587 53 53 LYS HD2 H 1.725 0.02 2 588 53 53 LYS HD3 H 1.725 0.02 2 589 53 53 LYS HE2 H 2.989 0.02 2 590 53 53 LYS HE3 H 2.989 0.02 2 591 53 53 LYS HG2 H 1.400 0.02 2 592 53 53 LYS HG3 H 1.270 0.02 2 593 53 53 LYS C C 173.460 0.2 1 594 53 53 LYS CA C 54.843 0.2 1 595 53 53 LYS CB C 36.395 0.2 1 596 53 53 LYS CD C 29.795 0.2 1 597 53 53 LYS CE C 42.327 0.2 1 598 53 53 LYS CG C 25.127 0.2 1 599 53 53 LYS N N 124.403 0.2 1 600 54 54 LYS H H 8.805 0.02 1 601 54 54 LYS HA H 3.692 0.02 1 602 54 54 LYS HB2 H 1.143 0.02 2 603 54 54 LYS HB3 H 0.753 0.02 2 604 54 54 LYS HD2 H 1.670 0.02 2 605 54 54 LYS HD3 H 1.670 0.02 2 606 54 54 LYS HE2 H 2.983 0.02 2 607 54 54 LYS HE3 H 2.983 0.02 2 608 54 54 LYS HG2 H 1.355 0.02 2 609 54 54 LYS HG3 H 1.397 0.02 2 610 54 54 LYS C C 173.344 0.2 1 611 54 54 LYS CA C 56.366 0.2 1 612 54 54 LYS CB C 29.830 0.2 1 613 54 54 LYS CD C 28.670 0.2 1 614 54 54 LYS CE C 42.986 0.2 1 615 54 54 LYS CG C 24.979 0.2 1 616 54 54 LYS N N 118.125 0.2 1 617 55 55 ASN H H 7.567 0.02 1 618 55 55 ASN HA H 4.643 0.02 1 619 55 55 ASN HB2 H 1.897 0.02 2 620 55 55 ASN HB3 H 2.447 0.02 2 621 55 55 ASN HD21 H 7.715 0.02 2 622 55 55 ASN HD22 H 7.214 0.02 2 623 55 55 ASN C C 172.188 0.2 1 624 55 55 ASN CA C 51.091 0.2 1 625 55 55 ASN CB C 37.234 0.2 1 626 55 55 ASN N N 123.893 0.2 1 627 55 55 ASN ND2 N 111.061 0.2 1 628 56 56 TYR H H 7.584 0.02 1 629 56 56 TYR HA H 4.892 0.02 1 630 56 56 TYR HB2 H 3.328 0.02 2 631 56 56 TYR HB3 H 2.821 0.02 2 632 56 56 TYR HD1 H 6.878 0.02 3 633 56 56 TYR HD2 H 6.878 0.02 3 634 56 56 TYR HE1 H 6.834 0.02 3 635 56 56 TYR HE2 H 6.834 0.02 3 636 56 56 TYR C C 177.276 0.2 1 637 56 56 TYR CA C 54.447 0.2 1 638 56 56 TYR CB C 38.633 0.2 1 639 56 56 TYR CD1 C 132.720 0.2 3 640 56 56 TYR CD2 C 132.720 0.2 3 641 56 56 TYR CE1 C 117.480 0.2 3 642 56 56 TYR CE2 C 117.480 0.2 3 643 56 56 TYR N N 115.237 0.2 1 644 57 57 CYS H H 9.149 0.02 1 645 57 57 CYS HA H 4.398 0.02 1 646 57 57 CYS HB2 H 3.418 0.02 2 647 57 57 CYS HB3 H 2.404 0.02 2 648 57 57 CYS C C 175.600 0.2 1 649 57 57 CYS CA C 59.824 0.2 1 650 57 57 CYS CB C 48.356 0.2 1 651 57 57 CYS N N 119.273 0.2 1 652 58 58 ARG H H 9.138 0.02 1 653 58 58 ARG HA H 4.918 0.02 1 654 58 58 ARG HB2 H 1.484 0.02 2 655 58 58 ARG HB3 H 1.342 0.02 2 656 58 58 ARG HD2 H 3.657 0.02 2 657 58 58 ARG HD3 H 3.035 0.02 2 658 58 58 ARG HE H 8.011 0.02 1 659 58 58 ARG HG2 H 1.885 0.02 2 660 58 58 ARG HG3 H 1.654 0.02 2 661 58 58 ARG C C 173.576 0.2 1 662 58 58 ARG CA C 53.187 0.2 1 663 58 58 ARG CB C 29.412 0.2 1 664 58 58 ARG CD C 43.453 0.2 1 665 58 58 ARG CG C 27.470 0.2 1 666 58 58 ARG N N 122.881 0.2 1 667 58 58 ARG NE N 88.964 0.2 1 668 59 59 ASN H H 8.868 0.02 1 669 59 59 ASN HA H 5.513 0.02 1 670 59 59 ASN HB2 H 3.079 0.02 2 671 59 59 ASN HB3 H 1.916 0.02 2 672 59 59 ASN HD21 H 6.895 0.02 2 673 59 59 ASN HD22 H 6.647 0.02 2 674 59 59 ASN C C 172.824 0.2 1 675 59 59 ASN CA C 53.176 0.2 1 676 59 59 ASN CB C 37.237 0.2 1 677 59 59 ASN N N 113.603 0.2 1 678 59 59 ASN ND2 N 104.198 0.2 1 679 60 60 PRO HA H 4.712 0.02 1 680 60 60 PRO HB2 H 1.661 0.02 2 681 60 60 PRO HB3 H 1.761 0.02 2 682 60 60 PRO HD2 H 3.890 0.02 2 683 60 60 PRO HD3 H 2.625 0.02 2 684 60 60 PRO HG2 H 1.890 0.02 2 685 60 60 PRO HG3 H 1.480 0.02 2 686 60 60 PRO C C 175.715 0.2 1 687 60 60 PRO CA C 63.643 0.2 1 688 60 60 PRO CB C 32.507 0.2 1 689 60 60 PRO CD C 51.520 0.2 1 690 60 60 PRO CG C 26.896 0.2 1 691 61 61 ASP H H 8.883 0.02 1 692 61 61 ASP HA H 4.495 0.02 1 693 61 61 ASP HB2 H 3.122 0.02 2 694 61 61 ASP HB3 H 2.298 0.02 2 695 61 61 ASP C C 174.848 0.2 1 696 61 61 ASP CA C 51.953 0.2 1 697 61 61 ASP CB C 42.092 0.2 1 698 61 61 ASP N N 118.660 0.2 1 699 62 62 ARG H H 8.395 0.02 1 700 62 62 ARG HA H 3.789 0.02 1 701 62 62 ARG HB2 H 1.876 0.02 2 702 62 62 ARG HB3 H 1.926 0.02 2 703 62 62 ARG HD2 H 3.166 0.02 2 704 62 62 ARG HD3 H 3.166 0.02 2 705 62 62 ARG HE H 7.259 0.02 1 706 62 62 ARG HG2 H 1.495 0.02 2 707 62 62 ARG HG3 H 1.495 0.02 2 708 62 62 ARG C C 176.236 0.2 1 709 62 62 ARG CA C 57.318 0.2 1 710 62 62 ARG CB C 26.990 0.2 1 711 62 62 ARG CD C 43.792 0.2 1 712 62 62 ARG CG C 27.921 0.2 1 713 62 62 ARG N N 116.013 0.2 1 714 62 62 ARG NE N 85.559 0.2 1 715 63 63 ASP H H 9.735 0.02 1 716 63 63 ASP HA H 4.769 0.02 1 717 63 63 ASP HB2 H 3.279 0.02 2 718 63 63 ASP HB3 H 2.926 0.02 2 719 63 63 ASP C C 177.334 0.2 1 720 63 63 ASP CA C 51.973 0.2 1 721 63 63 ASP CB C 42.698 0.2 1 722 63 63 ASP N N 121.799 0.2 1 723 64 64 LEU H H 10.919 0.02 1 724 64 64 LEU HA H 3.995 0.02 1 725 64 64 LEU HB2 H 1.390 0.02 2 726 64 64 LEU HB3 H 1.416 0.02 2 727 64 64 LEU HD1 H 0.954 0.02 2 728 64 64 LEU HD2 H 0.899 0.02 2 729 64 64 LEU HG H 1.841 0.02 1 730 64 64 LEU C C 176.467 0.2 1 731 64 64 LEU CA C 57.772 0.2 1 732 64 64 LEU CB C 43.630 0.2 1 733 64 64 LEU CD1 C 25.238 0.2 2 734 64 64 LEU CD2 C 23.020 0.2 2 735 64 64 LEU CG C 27.468 0.2 1 736 64 64 LEU N N 121.789 0.2 1 737 65 65 ARG H H 7.633 0.02 1 738 65 65 ARG HA H 5.006 0.02 1 739 65 65 ARG HB2 H 2.097 0.02 2 740 65 65 ARG HB3 H 1.808 0.02 2 741 65 65 ARG HD2 H 3.461 0.02 2 742 65 65 ARG HD3 H 3.085 0.02 2 743 65 65 ARG HE H 7.289 0.02 1 744 65 65 ARG HG2 H 1.217 0.02 2 745 65 65 ARG HG3 H 1.545 0.02 2 746 65 65 ARG C C 172.130 0.2 1 747 65 65 ARG CA C 53.368 0.2 1 748 65 65 ARG CB C 28.429 0.2 1 749 65 65 ARG CD C 43.126 0.2 1 750 65 65 ARG CG C 26.235 0.2 1 751 65 65 ARG N N 108.790 0.2 1 752 65 65 ARG NE N 84.823 0.2 1 753 66 66 PRO HA H 4.281 0.02 1 754 66 66 PRO HB2 H 1.475 0.02 2 755 66 66 PRO HB3 H 1.768 0.02 2 756 66 66 PRO HD2 H 3.115 0.02 2 757 66 66 PRO HD3 H 4.028 0.02 2 758 66 66 PRO HG2 H 1.908 0.02 2 759 66 66 PRO HG3 H 1.481 0.02 2 760 66 66 PRO C C 172.940 0.2 1 761 66 66 PRO CA C 63.677 0.2 1 762 66 66 PRO CB C 32.592 0.2 1 763 66 66 PRO CD C 50.735 0.2 1 764 66 66 PRO CG C 27.875 0.2 1 765 67 67 TRP H H 8.716 0.02 1 766 67 67 TRP HA H 5.406 0.02 1 767 67 67 TRP HB2 H 3.343 0.02 2 768 67 67 TRP HB3 H 3.343 0.02 2 769 67 67 TRP HD1 H 7.714 0.02 1 770 67 67 TRP HE1 H 10.169 0.02 1 771 67 67 TRP HE3 H 7.491 0.02 1 772 67 67 TRP HH2 H 7.406 0.02 1 773 67 67 TRP HZ2 H 6.783 0.02 1 774 67 67 TRP HZ3 H 6.659 0.02 1 775 67 67 TRP C C 172.919 0.2 1 776 67 67 TRP CA C 56.035 0.2 1 777 67 67 TRP CB C 34.026 0.2 1 778 67 67 TRP CD1 C 128.232 0.2 1 779 67 67 TRP CE3 C 121.210 0.2 1 780 67 67 TRP CH2 C 123.905 0.2 1 781 67 67 TRP CZ2 C 116.022 0.2 1 782 67 67 TRP CZ3 C 118.907 0.2 1 783 67 67 TRP N N 121.250 0.2 1 784 67 67 TRP NE1 N 129.596 0.2 1 785 68 68 CYS H H 8.384 0.02 1 786 68 68 CYS HA H 4.265 0.02 1 787 68 68 CYS HB2 H 3.320 0.02 2 788 68 68 CYS HB3 H 2.896 0.02 2 789 68 68 CYS C C 175.079 0.2 1 790 68 68 CYS CA C 55.876 0.2 1 791 68 68 CYS CB C 42.232 0.2 1 792 68 68 CYS N N 109.624 0.2 1 793 69 69 PHE H H 8.031 0.02 1 794 69 69 PHE HA H 5.420 0.02 1 795 69 69 PHE HB2 H 2.957 0.02 2 796 69 69 PHE HB3 H 2.363 0.02 2 797 69 69 PHE HD1 H 7.165 0.02 3 798 69 69 PHE HD2 H 7.165 0.02 3 799 69 69 PHE HE1 H 7.260 0.02 3 800 69 69 PHE HE2 H 7.260 0.02 3 801 69 69 PHE HZ H 7.485 0.02 1 802 69 69 PHE C C 176.814 0.2 1 803 69 69 PHE CA C 59.299 0.2 1 804 69 69 PHE CB C 38.411 0.2 1 805 69 69 PHE CD1 C 132.507 0.2 3 806 69 69 PHE CD2 C 132.507 0.2 3 807 69 69 PHE CE1 C 132.026 0.2 3 808 69 69 PHE CE2 C 132.026 0.2 3 809 69 69 PHE CZ C 131.726 0.2 1 810 69 69 PHE N N 120.433 0.2 1 811 70 70 THR H H 8.002 0.02 1 812 70 70 THR HA H 5.408 0.02 1 813 70 70 THR HB H 4.300 0.02 1 814 70 70 THR HG1 H 6.205 0.02 1 815 70 70 THR HG2 H 0.966 0.02 1 816 70 70 THR C C 173.518 0.2 1 817 70 70 THR CA C 61.208 0.2 1 818 70 70 THR CB C 70.441 0.2 1 819 70 70 THR CG2 C 21.866 0.2 1 820 70 70 THR N N 112.351 0.2 1 821 71 71 THR H H 8.126 0.02 1 822 71 71 THR HA H 4.037 0.02 1 823 71 71 THR HB H 4.529 0.02 1 824 71 71 THR HG1 H 6.203 0.02 1 825 71 71 THR HG2 H 1.151 0.02 1 826 71 71 THR C C 174.903 0.2 1 827 71 71 THR CA C 62.413 0.2 1 828 71 71 THR CB C 69.167 0.2 1 829 71 71 THR CG2 C 21.845 0.2 1 830 71 71 THR N N 104.863 0.2 1 831 72 72 ASP H H 9.024 0.02 1 832 72 72 ASP HA H 4.936 0.02 1 833 72 72 ASP HB2 H 3.044 0.02 2 834 72 72 ASP HB3 H 2.582 0.02 2 835 72 72 ASP C C 176.929 0.2 1 836 72 72 ASP CA C 51.333 0.2 1 837 72 72 ASP CB C 43.416 0.2 1 838 72 72 ASP N N 126.242 0.2 1 839 73 73 PRO HA H 3.962 0.02 1 840 73 73 PRO HB2 H 2.279 0.02 2 841 73 73 PRO HB3 H 1.887 0.02 2 842 73 73 PRO HD2 H 4.128 0.02 2 843 73 73 PRO HD3 H 3.930 0.02 2 844 73 73 PRO HG2 H 1.908 0.02 2 845 73 73 PRO HG3 H 2.035 0.02 2 846 73 73 PRO C C 177.045 0.2 1 847 73 73 PRO CA C 64.632 0.2 1 848 73 73 PRO CB C 32.460 0.2 1 849 73 73 PRO CD C 51.230 0.2 1 850 73 73 PRO CG C 27.475 0.2 1 851 74 74 ASN H H 8.943 0.02 1 852 74 74 ASN HA H 4.854 0.02 1 853 74 74 ASN HB2 H 2.866 0.02 2 854 74 74 ASN HB3 H 2.701 0.02 2 855 74 74 ASN HD21 H 7.948 0.02 2 856 74 74 ASN HD22 H 6.977 0.02 2 857 74 74 ASN C C 174.443 0.2 1 858 74 74 ASN CA C 53.380 0.2 1 859 74 74 ASN CB C 39.333 0.2 1 860 74 74 ASN N N 114.144 0.2 1 861 74 74 ASN ND2 N 115.316 0.2 1 862 75 75 LYS H H 7.795 0.02 1 863 75 75 LYS HA H 4.571 0.02 1 864 75 75 LYS HB2 H 1.332 0.02 2 865 75 75 LYS HB3 H 1.721 0.02 2 866 75 75 LYS HD2 H 1.503 0.02 2 867 75 75 LYS HD3 H 1.503 0.02 2 868 75 75 LYS HE2 H 2.806 0.02 2 869 75 75 LYS HE3 H 2.806 0.02 2 870 75 75 LYS HG2 H 0.945 0.02 2 871 75 75 LYS HG3 H 1.040 0.02 2 872 75 75 LYS C C 173.402 0.2 1 873 75 75 LYS CA C 54.154 0.2 1 874 75 75 LYS CB C 32.186 0.2 1 875 75 75 LYS CD C 28.040 0.2 1 876 75 75 LYS CE C 41.727 0.2 1 877 75 75 LYS CG C 23.959 0.2 1 878 75 75 LYS N N 122.835 0.2 1 879 76 76 ARG H H 9.132 0.02 1 880 76 76 ARG HA H 4.555 0.02 1 881 76 76 ARG HB2 H 1.980 0.02 2 882 76 76 ARG HB3 H 1.718 0.02 2 883 76 76 ARG HD2 H 3.474 0.02 2 884 76 76 ARG HD3 H 3.474 0.02 2 885 76 76 ARG HE H 7.950 0.02 1 886 76 76 ARG HG2 H 1.649 0.02 2 887 76 76 ARG HG3 H 1.649 0.02 2 888 76 76 ARG C C 175.137 0.2 1 889 76 76 ARG CA C 60.532 0.2 1 890 76 76 ARG CB C 29.307 0.2 1 891 76 76 ARG CD C 43.210 0.2 1 892 76 76 ARG CG C 28.670 0.2 1 893 76 76 ARG N N 129.676 0.2 1 894 76 76 ARG NE N 85.375 0.2 1 895 77 77 TRP H H 7.559 0.02 1 896 77 77 TRP HA H 5.357 0.02 1 897 77 77 TRP HB2 H 2.908 0.02 2 898 77 77 TRP HB3 H 2.543 0.02 2 899 77 77 TRP HD1 H 6.956 0.02 1 900 77 77 TRP HE1 H 9.433 0.02 1 901 77 77 TRP HE3 H 7.672 0.02 1 902 77 77 TRP HH2 H 6.839 0.02 1 903 77 77 TRP HZ2 H 6.772 0.02 1 904 77 77 TRP HZ3 H 6.742 0.02 1 905 77 77 TRP C C 172.940 0.2 1 906 77 77 TRP CA C 55.044 0.2 1 907 77 77 TRP CB C 31.951 0.2 1 908 77 77 TRP CD1 C 127.541 0.2 1 909 77 77 TRP CE3 C 120.538 0.2 1 910 77 77 TRP CH2 C 124.252 0.2 1 911 77 77 TRP CZ2 C 115.366 0.2 1 912 77 77 TRP CZ3 C 121.950 0.2 1 913 77 77 TRP N N 109.174 0.2 1 914 77 77 TRP NE1 N 130.528 0.2 1 915 78 78 GLU H H 8.638 0.02 1 916 78 78 GLU HA H 3.671 0.02 1 917 78 78 GLU HB2 H 1.906 0.02 2 918 78 78 GLU HB3 H 1.670 0.02 2 919 78 78 GLU HG2 H 2.823 0.02 2 920 78 78 GLU HG3 H 2.228 0.02 2 921 78 78 GLU C C 174.501 0.2 1 922 78 78 GLU CA C 55.659 0.2 1 923 78 78 GLU CB C 34.557 0.2 1 924 78 78 GLU CG C 37.656 0.2 1 925 78 78 GLU N N 118.907 0.2 1 926 79 79 TYR H H 7.636 0.02 1 927 79 79 TYR HA H 4.995 0.02 1 928 79 79 TYR HB2 H 3.318 0.02 2 929 79 79 TYR HB3 H 2.847 0.02 2 930 79 79 TYR HD1 H 6.897 0.02 3 931 79 79 TYR HD2 H 6.897 0.02 3 932 79 79 TYR HE1 H 6.914 0.02 3 933 79 79 TYR HE2 H 6.914 0.02 3 934 79 79 TYR C C 175.889 0.2 1 935 79 79 TYR CA C 60.120 0.2 1 936 79 79 TYR CB C 39.789 0.2 1 937 79 79 TYR CD1 C 132.548 0.2 3 938 79 79 TYR CD2 C 132.548 0.2 3 939 79 79 TYR CE1 C 117.485 0.2 3 940 79 79 TYR CE2 C 117.485 0.2 3 941 79 79 TYR N N 119.277 0.2 1 942 80 80 CYS H H 9.398 0.02 1 943 80 80 CYS HA H 4.720 0.02 1 944 80 80 CYS HB2 H 2.983 0.02 2 945 80 80 CYS HB3 H 3.148 0.02 2 946 80 80 CYS C C 172.419 0.2 1 947 80 80 CYS CA C 54.618 0.2 1 948 80 80 CYS CB C 46.736 0.2 1 949 80 80 CYS N N 118.623 0.2 1 950 81 81 ASP H H 9.729 0.02 1 951 81 81 ASP HA H 4.781 0.02 1 952 81 81 ASP HB2 H 2.772 0.02 2 953 81 81 ASP HB3 H 2.231 0.02 2 954 81 81 ASP C C 173.576 0.2 1 955 81 81 ASP CA C 52.855 0.2 1 956 81 81 ASP CB C 40.733 0.2 1 957 81 81 ASP N N 124.777 0.2 1 958 82 82 ILE H H 7.820 0.02 1 959 82 82 ILE HA H 4.320 0.02 1 960 82 82 ILE HB H 1.846 0.02 1 961 82 82 ILE HD1 H 0.370 0.02 1 962 82 82 ILE HG12 H 0.720 0.02 2 963 82 82 ILE HG13 H 1.123 0.02 2 964 82 82 ILE HG2 H 0.410 0.02 1 965 82 82 ILE C C 173.923 0.2 1 966 82 82 ILE CA C 56.118 0.2 1 967 82 82 ILE CB C 38.166 0.2 1 968 82 82 ILE CD1 C 11.479 0.2 1 969 82 82 ILE CG1 C 26.520 0.2 1 970 82 82 ILE CG2 C 16.791 0.2 1 971 82 82 ILE N N 125.281 0.2 1 972 83 83 PRO HA H 4.337 0.02 1 973 83 83 PRO HB2 H 2.260 0.02 2 974 83 83 PRO HB3 H 2.234 0.02 2 975 83 83 PRO HD2 H 3.522 0.02 2 976 83 83 PRO HD3 H 3.766 0.02 2 977 83 83 PRO HG2 H 2.120 0.02 2 978 83 83 PRO HG3 H 1.996 0.02 2 979 83 83 PRO C C 175.167 0.2 1 980 83 83 PRO CA C 62.844 0.2 1 981 83 83 PRO CB C 32.450 0.2 1 982 83 83 PRO CD C 51.281 0.2 1 983 83 83 PRO CG C 27.708 0.2 1 984 84 84 ARG H H 8.656 0.02 1 985 84 84 ARG HA H 4.658 0.02 1 986 84 84 ARG HB2 H 1.796 0.02 2 987 84 84 ARG HB3 H 1.796 0.02 2 988 84 84 ARG HD2 H 3.292 0.02 2 989 84 84 ARG HD3 H 3.258 0.02 2 990 84 84 ARG HE H 7.019 0.02 1 991 84 84 ARG HG2 H 1.422 0.02 2 992 84 84 ARG HG3 H 1.832 0.02 2 993 84 84 ARG C C 175.137 0.2 1 994 84 84 ARG CA C 55.617 0.2 1 995 84 84 ARG CB C 30.482 0.2 1 996 84 84 ARG CD C 43.213 0.2 1 997 84 84 ARG CG C 28.042 0.2 1 998 84 84 ARG N N 122.316 0.2 1 999 84 84 ARG NE N 84.271 0.2 1 1000 85 85 CYS H H 8.783 0.02 1 1001 85 85 CYS HA H 4.479 0.02 1 1002 85 85 CYS HB2 H 3.176 0.02 2 1003 85 85 CYS HB3 H 1.884 0.02 2 1004 85 85 CYS C C 174.906 0.2 1 1005 85 85 CYS CA C 54.177 0.2 1 1006 85 85 CYS CB C 39.574 0.2 1 1007 85 85 CYS N N 124.002 0.2 1 1008 86 86 ALA H H 8.746 0.02 1 1009 86 86 ALA HA H 4.255 0.02 1 1010 86 86 ALA HB H 1.403 0.02 1 1011 86 86 ALA C C 176.236 0.2 1 1012 86 86 ALA CA C 53.067 0.2 1 1013 86 86 ALA CB C 19.034 0.2 1 1014 86 86 ALA N N 126.444 0.2 1 1015 87 87 ALA H H 7.869 0.02 1 1016 87 87 ALA HA H 4.204 0.02 1 1017 87 87 ALA HB H 1.359 0.02 1 1018 87 87 ALA C C 182.423 0.2 1 1019 87 87 ALA CA C 53.659 0.2 1 1020 87 87 ALA CB C 20.365 0.2 1 1021 87 87 ALA N N 128.229 0.2 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 VEK-30 _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 1 100 2 SER HA H 4.570 0.02 1 2 100 2 SER HB2 H 3.897 0.02 2 3 100 2 SER HB3 H 3.897 0.02 2 4 100 2 SER C C 174.779 0.2 1 5 100 2 SER CA C 58.624 0.2 1 6 100 2 SER CB C 63.939 0.2 1 7 101 3 VAL H H 8.341 0.02 1 8 101 3 VAL HA H 4.151 0.02 1 9 101 3 VAL HB H 2.129 0.02 1 10 101 3 VAL HG1 H 0.971 0.02 2 11 101 3 VAL HG2 H 0.981 0.02 2 12 101 3 VAL C C 176.450 0.2 1 13 101 3 VAL CA C 62.793 0.2 1 14 101 3 VAL CB C 32.495 0.2 1 15 101 3 VAL CG1 C 21.054 0.2 2 16 101 3 VAL CG2 C 20.829 0.2 2 17 101 3 VAL N N 121.954 0.2 1 18 102 4 GLU H H 8.521 0.02 1 19 102 4 GLU HA H 4.291 0.02 1 20 102 4 GLU HB2 H 1.966 0.02 2 21 102 4 GLU HB3 H 1.998 0.02 2 22 102 4 GLU HG2 H 2.272 0.02 2 23 102 4 GLU HG3 H 2.402 0.02 2 24 102 4 GLU C C 176.450 0.2 1 25 102 4 GLU CA C 56.955 0.2 1 26 102 4 GLU CB C 30.233 0.2 1 27 102 4 GLU CG C 36.284 0.2 1 28 102 4 GLU N N 124.722 0.2 1 29 103 5 LYS H H 8.323 0.02 1 30 103 5 LYS HA H 4.313 0.02 1 31 103 5 LYS HB2 H 1.823 0.02 2 32 103 5 LYS HB3 H 1.735 0.02 2 33 103 5 LYS HD2 H 1.626 0.02 2 34 103 5 LYS HD3 H 1.430 0.02 2 35 103 5 LYS HE2 H 2.989 0.02 2 36 103 5 LYS HE3 H 2.989 0.02 2 37 103 5 LYS HG2 H 1.430 0.02 2 38 103 5 LYS HG3 H 1.430 0.02 2 39 103 5 LYS C C 176.784 0.2 1 40 103 5 LYS CA C 56.688 0.2 1 41 103 5 LYS CB C 30.228 0.2 1 42 103 5 LYS CD C 27.268 0.2 1 43 103 5 LYS CE C 41.911 0.2 1 44 103 5 LYS CG C 24.910 0.2 1 45 103 5 LYS N N 122.689 0.2 1 46 104 6 LEU H H 8.369 0.02 1 47 104 6 LEU HA H 4.500 0.02 1 48 104 6 LEU HB2 H 1.735 0.02 2 49 104 6 LEU HB3 H 1.642 0.02 2 50 104 6 LEU HD1 H 0.926 0.02 2 51 104 6 LEU HD2 H 0.881 0.02 2 52 104 6 LEU HG H 1.690 0.02 1 53 104 6 LEU C C 177.632 0.2 1 54 104 6 LEU CA C 55.480 0.2 1 55 104 6 LEU CB C 42.587 0.2 1 56 104 6 LEU CD1 C 24.926 0.2 2 57 104 6 LEU CD2 C 23.437 0.2 2 58 104 6 LEU CG C 27.024 0.2 1 59 104 6 LEU N N 123.373 0.2 1 60 105 7 THR HA H 4.558 0.02 1 61 105 7 THR HB H 4.357 0.02 1 62 105 7 THR HG1 H 4.775 0.02 1 63 105 7 THR HG2 H 1.336 0.02 1 64 105 7 THR C C 175.614 0.2 1 65 105 7 THR CA C 62.000 0.2 1 66 105 7 THR CB C 70.090 0.2 1 67 105 7 THR CG2 C 22.158 0.2 1 68 106 8 ALA H H 8.649 0.02 1 69 106 8 ALA HA H 4.458 0.02 1 70 106 8 ALA HB H 1.705 0.02 1 71 106 8 ALA C C 179.290 0.2 1 72 106 8 ALA CA C 55.552 0.2 1 73 106 8 ALA CB C 18.704 0.2 1 74 106 8 ALA N N 124.857 0.2 1 75 107 9 ASP H H 8.286 0.02 1 76 107 9 ASP HA H 4.457 0.02 1 77 107 9 ASP HB2 H 2.661 0.02 2 78 107 9 ASP HB3 H 2.620 0.02 2 79 107 9 ASP C C 178.845 0.2 1 80 107 9 ASP CA C 57.733 0.2 1 81 107 9 ASP CB C 40.881 0.2 1 82 107 9 ASP N N 115.621 0.2 1 83 108 10 ALA H H 7.887 0.02 1 84 108 10 ALA HA H 4.182 0.02 1 85 108 10 ALA HB H 1.561 0.02 1 86 108 10 ALA C C 180.906 0.2 1 87 108 10 ALA CA C 55.014 0.2 1 88 108 10 ALA CB C 18.631 0.2 1 89 108 10 ALA N N 122.756 0.2 1 90 109 11 GLU H H 8.390 0.02 1 91 109 11 GLU HA H 4.256 0.02 1 92 109 11 GLU HB2 H 2.210 0.02 2 93 109 11 GLU HB3 H 2.238 0.02 2 94 109 11 GLU HG2 H 2.398 0.02 2 95 109 11 GLU HG3 H 2.398 0.02 2 96 109 11 GLU C C 178.678 0.2 1 97 109 11 GLU CA C 59.105 0.2 1 98 109 11 GLU CB C 29.559 0.2 1 99 109 11 GLU CG C 36.257 0.2 1 100 109 11 GLU N N 121.999 0.2 1 101 110 12 LEU H H 8.395 0.02 1 102 110 12 LEU HA H 3.808 0.02 1 103 110 12 LEU HB2 H 1.133 0.02 2 104 110 12 LEU HB3 H 2.005 0.02 2 105 110 12 LEU HD1 H 0.762 0.02 2 106 110 12 LEU HD2 H -0.081 0.02 2 107 110 12 LEU HG H 1.339 0.02 1 108 110 12 LEU C C 178.288 0.2 1 109 110 12 LEU CA C 58.407 0.2 1 110 110 12 LEU CB C 41.329 0.2 1 111 110 12 LEU CD1 C 25.660 0.2 2 112 110 12 LEU CD2 C 22.654 0.2 2 113 110 12 LEU CG C 27.550 0.2 1 114 110 12 LEU N N 119.939 0.2 1 115 111 13 GLN H H 7.761 0.02 1 116 111 13 GLN HA H 4.008 0.02 1 117 111 13 GLN HB2 H 2.120 0.02 2 118 111 13 GLN HB3 H 2.151 0.02 2 119 111 13 GLN HG2 H 2.347 0.02 2 120 111 13 GLN HG3 H 2.435 0.02 2 121 111 13 GLN C C 177.954 0.2 1 122 111 13 GLN CA C 58.674 0.2 1 123 111 13 GLN CB C 28.513 0.2 1 124 111 13 GLN CG C 33.860 0.2 1 125 111 13 GLN N N 117.305 0.2 1 126 112 14 ARG H H 7.752 0.02 1 127 112 14 ARG HA H 4.053 0.02 1 128 112 14 ARG HB2 H 1.925 0.02 2 129 112 14 ARG HB3 H 2.124 0.02 2 130 112 14 ARG HD2 H 3.127 0.02 2 131 112 14 ARG HD3 H 3.327 0.02 2 132 112 14 ARG HE H 7.532 0.02 1 133 112 14 ARG HG2 H 1.745 0.02 2 134 112 14 ARG HG3 H 1.545 0.02 2 135 112 14 ARG C C 179.625 0.2 1 136 112 14 ARG CA C 59.770 0.2 1 137 112 14 ARG CB C 29.884 0.2 1 138 112 14 ARG CD C 43.186 0.2 1 139 112 14 ARG CG C 27.264 0.2 1 140 112 14 ARG N N 121.241 0.2 1 141 112 14 ARG NE N 84.250 0.2 1 142 113 15 LEU H H 8.478 0.02 1 143 113 15 LEU HA H 3.974 0.02 1 144 113 15 LEU HB2 H 1.488 0.02 2 145 113 15 LEU HB3 H 1.731 0.02 2 146 113 15 LEU HD1 H 0.141 0.02 2 147 113 15 LEU HD2 H 0.849 0.02 2 148 113 15 LEU HG H 1.708 0.02 1 149 113 15 LEU C C 180.627 0.2 1 150 113 15 LEU CA C 58.251 0.2 1 151 113 15 LEU CB C 41.751 0.2 1 152 113 15 LEU CD1 C 25.160 0.2 2 153 113 15 LEU CD2 C 22.970 0.2 2 154 113 15 LEU CG C 26.065 0.2 1 155 113 15 LEU N N 120.898 0.2 1 156 114 16 LYS H H 8.437 0.02 1 157 114 16 LYS HA H 3.368 0.02 1 158 114 16 LYS HB2 H 1.769 0.02 2 159 114 16 LYS HB3 H 2.087 0.02 2 160 114 16 LYS HD2 H 1.343 0.02 2 161 114 16 LYS HD3 H 1.443 0.02 2 162 114 16 LYS HE2 H 2.648 0.02 2 163 114 16 LYS HE3 H 2.880 0.02 2 164 114 16 LYS HG2 H 0.545 0.02 2 165 114 16 LYS HG3 H 0.911 0.02 2 166 114 16 LYS C C 178.288 0.2 1 167 114 16 LYS CA C 60.242 0.2 1 168 114 16 LYS CB C 30.249 0.2 1 169 114 16 LYS CD C 27.526 0.2 1 170 114 16 LYS CE C 41.754 0.2 1 171 114 16 LYS CG C 24.049 0.2 1 172 114 16 LYS N N 123.214 0.2 1 173 115 17 ASN H H 8.137 0.02 1 174 115 17 ASN HA H 4.270 0.02 1 175 115 17 ASN HB2 H 2.900 0.02 2 176 115 17 ASN HB3 H 2.935 0.02 2 177 115 17 ASN HD21 H 7.793 0.02 2 178 115 17 ASN HD22 H 6.915 0.02 2 179 115 17 ASN C C 178.288 0.2 1 180 115 17 ASN CA C 56.318 0.2 1 181 115 17 ASN CB C 37.573 0.2 1 182 115 17 ASN N N 117.923 0.2 1 183 115 17 ASN ND2 N 111.928 0.2 1 184 116 18 GLU H H 8.110 0.02 1 185 116 18 GLU HA H 4.146 0.02 1 186 116 18 GLU HB2 H 2.182 0.02 2 187 116 18 GLU HB3 H 2.197 0.02 2 188 116 18 GLU HG2 H 2.480 0.02 2 189 116 18 GLU HG3 H 2.452 0.02 2 190 116 18 GLU C C 178.956 0.2 1 191 116 18 GLU CA C 59.659 0.2 1 192 116 18 GLU CB C 29.950 0.2 1 193 116 18 GLU CG C 36.614 0.2 1 194 116 18 GLU N N 120.249 0.2 1 195 117 19 ARG H H 7.925 0.02 1 196 117 19 ARG HA H 4.057 0.02 1 197 117 19 ARG HB2 H 2.135 0.02 2 198 117 19 ARG HB3 H 2.308 0.02 2 199 117 19 ARG HD2 H 3.129 0.02 2 200 117 19 ARG HD3 H 3.399 0.02 2 201 117 19 ARG HE H 7.793 0.02 1 202 117 19 ARG HG2 H 1.746 0.02 2 203 117 19 ARG HG3 H 1.525 0.02 2 204 117 19 ARG C C 180.070 0.2 1 205 117 19 ARG CA C 59.564 0.2 1 206 117 19 ARG CB C 29.879 0.2 1 207 117 19 ARG CD C 43.153 0.2 1 208 117 19 ARG CG C 27.308 0.2 1 209 117 19 ARG N N 119.801 0.2 1 210 117 19 ARG NE N 83.180 0.2 1 211 118 20 HIS H H 8.316 0.02 1 212 118 20 HIS HA H 4.574 0.02 1 213 118 20 HIS HB2 H 3.258 0.02 2 214 118 20 HIS HB3 H 3.387 0.02 2 215 118 20 HIS HD1 H 6.568 0.02 1 216 118 20 HIS HD2 H 6.590 0.02 1 217 118 20 HIS HE1 H 8.519 0.02 1 218 118 20 HIS HE2 H 7.538 0.02 1 219 118 20 HIS C C 176.784 0.2 1 220 118 20 HIS CA C 58.397 0.2 1 221 118 20 HIS CB C 29.343 0.2 1 222 118 20 HIS CD2 C 117.477 0.2 1 223 118 20 HIS CE1 C 136.585 0.2 1 224 118 20 HIS N N 117.802 0.2 1 225 119 21 GLU H H 8.400 0.02 1 226 119 21 GLU HA H 4.268 0.02 1 227 119 21 GLU HB2 H 2.158 0.02 2 228 119 21 GLU HB3 H 2.231 0.02 2 229 119 21 GLU HG2 H 2.398 0.02 2 230 119 21 GLU HG3 H 2.363 0.02 2 231 119 21 GLU C C 178.566 0.2 1 232 119 21 GLU CA C 59.105 0.2 1 233 119 21 GLU CB C 29.559 0.2 1 234 119 21 GLU CG C 36.368 0.2 1 235 119 21 GLU N N 121.996 0.2 1 236 120 22 GLU H H 8.285 0.02 1 237 120 22 GLU HA H 4.204 0.02 1 238 120 22 GLU HB2 H 2.295 0.02 2 239 120 22 GLU HB3 H 2.261 0.02 2 240 120 22 GLU HG2 H 2.361 0.02 2 241 120 22 GLU HG3 H 2.520 0.02 2 242 120 22 GLU C C 178.288 0.2 1 243 120 22 GLU CA C 58.841 0.2 1 244 120 22 GLU CB C 29.322 0.2 1 245 120 22 GLU CG C 36.075 0.2 1 246 120 22 GLU N N 119.798 0.2 1 247 121 23 ALA H H 8.037 0.02 1 248 121 23 ALA HA H 4.270 0.02 1 249 121 23 ALA HB H 1.561 0.02 1 250 121 23 ALA C C 179.569 0.2 1 251 121 23 ALA CA C 54.158 0.2 1 252 121 23 ALA CB C 18.923 0.2 1 253 121 23 ALA N N 122.418 0.2 1 254 122 24 GLU H H 8.039 0.02 1 255 122 24 GLU HA H 4.291 0.02 1 256 122 24 GLU HB2 H 1.860 0.02 2 257 122 24 GLU HB3 H 2.151 0.02 2 258 122 24 GLU HG2 H 2.381 0.02 2 259 122 24 GLU HG3 H 2.381 0.02 2 260 122 24 GLU C C 177.954 0.2 1 261 122 24 GLU CA C 58.023 0.2 1 262 122 24 GLU CB C 29.566 0.2 1 263 122 24 GLU CG C 35.882 0.2 1 264 122 24 GLU N N 119.517 0.2 1 265 123 25 LEU H H 7.962 0.02 1 266 123 25 LEU HA H 4.226 0.02 1 267 123 25 LEU HB2 H 1.654 0.02 2 268 123 25 LEU HB3 H 1.860 0.02 2 269 123 25 LEU HD1 H 0.908 0.02 2 270 123 25 LEU HD2 H 0.952 0.02 2 271 123 25 LEU HG H 1.748 0.02 1 272 123 25 LEU C C 179.123 0.2 1 273 123 25 LEU CA C 57.213 0.2 1 274 123 25 LEU CB C 41.809 0.2 1 275 123 25 LEU CD1 C 24.724 0.2 2 276 123 25 LEU CD2 C 24.724 0.2 2 277 123 25 LEU CG C 27.049 0.2 1 278 123 25 LEU N N 120.617 0.2 1 279 124 26 GLU H H 8.093 0.02 1 280 124 26 GLU HA H 4.140 0.02 1 281 124 26 GLU HB2 H 2.117 0.02 2 282 124 26 GLU HB3 H 2.082 0.02 2 283 124 26 GLU HG2 H 2.359 0.02 2 284 124 26 GLU HG3 H 2.359 0.02 2 285 124 26 GLU C C 177.954 0.2 1 286 124 26 GLU CA C 58.095 0.2 1 287 124 26 GLU CB C 29.910 0.2 1 288 124 26 GLU CG C 36.445 0.2 1 289 124 26 GLU N N 119.473 0.2 1 290 125 27 ARG H H 7.954 0.02 1 291 125 27 ARG HA H 4.210 0.02 1 292 125 27 ARG HB2 H 1.894 0.02 2 293 125 27 ARG HB3 H 1.963 0.02 2 294 125 27 ARG HD2 H 3.232 0.02 2 295 125 27 ARG HD3 H 3.232 0.02 2 296 125 27 ARG HE H 7.102 0.02 1 297 125 27 ARG HG2 H 1.688 0.02 2 298 125 27 ARG HG3 H 1.688 0.02 2 299 125 27 ARG C C 177.619 0.2 1 300 125 27 ARG CA C 57.677 0.2 1 301 125 27 ARG CB C 30.374 0.2 1 302 125 27 ARG CD C 43.231 0.2 1 303 125 27 ARG CG C 27.273 0.2 1 304 125 27 ARG N N 120.670 0.2 1 305 125 27 ARG NE N 82.329 0.2 1 306 126 28 LEU H H 8.038 0.02 1 307 126 28 LEU HA H 4.270 0.02 1 308 126 28 LEU HB2 H 1.649 0.02 2 309 126 28 LEU HB3 H 1.774 0.02 2 310 126 28 LEU HD1 H 0.881 0.02 2 311 126 28 LEU HD2 H 0.946 0.02 2 312 126 28 LEU HG H 1.722 0.02 1 313 126 28 LEU C C 178.065 0.2 1 314 126 28 LEU CA C 56.096 0.2 1 315 126 28 LEU CB C 42.252 0.2 1 316 126 28 LEU CD1 C 23.412 0.2 2 317 126 28 LEU CD2 C 24.862 0.2 2 318 126 28 LEU CG C 27.052 0.2 1 319 126 28 LEU N N 120.818 0.2 1 320 127 29 LYS H H 7.944 0.02 1 321 127 29 LYS HA H 4.270 0.02 1 322 127 29 LYS HB2 H 1.815 0.02 2 323 127 29 LYS HB3 H 1.845 0.02 2 324 127 29 LYS HD2 H 1.713 0.02 2 325 127 29 LYS HD3 H 1.713 0.02 2 326 127 29 LYS HE2 H 3.192 0.02 2 327 127 29 LYS HE3 H 3.192 0.02 2 328 127 29 LYS HG2 H 1.490 0.02 2 329 127 29 LYS HG3 H 1.490 0.02 2 330 127 29 LYS C C 176.951 0.2 1 331 127 29 LYS CA C 57.168 0.2 1 332 127 29 LYS CB C 32.755 0.2 1 333 127 29 LYS CD C 26.976 0.2 1 334 127 29 LYS CE C 43.198 0.2 1 335 127 29 LYS CG C 24.796 0.2 1 336 127 29 LYS N N 119.960 0.2 1 337 128 30 SER H H 8.030 0.02 1 338 128 30 SER HA H 4.466 0.02 1 339 128 30 SER HB2 H 3.890 0.02 2 340 128 30 SER HB3 H 3.890 0.02 2 341 128 30 SER C C 176.101 0.2 1 342 128 30 SER CA C 58.590 0.2 1 343 128 30 SER CB C 63.939 0.2 1 344 128 30 SER N N 115.496 0.2 1 345 129 31 GLU H H 8.157 0.02 1 346 129 31 GLU HA H 4.291 0.02 1 347 129 31 GLU HB2 H 1.888 0.02 2 348 129 31 GLU HB3 H 1.888 0.02 2 349 129 31 GLU HG2 H 2.226 0.02 2 350 129 31 GLU HG3 H 2.226 0.02 2 351 129 31 GLU C C 175.112 0.2 1 352 129 31 GLU CA C 56.654 0.2 1 353 129 31 GLU CB C 30.389 0.2 1 354 129 31 GLU CG C 36.323 0.2 1 355 129 31 GLU N N 122.569 0.2 1 356 130 32 TYR H H 7.618 0.02 1 357 130 32 TYR HA H 4.401 0.02 1 358 130 32 TYR HB2 H 3.090 0.02 2 359 130 32 TYR HB3 H 2.893 0.02 2 360 130 32 TYR HD1 H 7.105 0.02 3 361 130 32 TYR HD2 H 7.105 0.02 3 362 130 32 TYR HE1 H 6.812 0.02 3 363 130 32 TYR HE2 H 6.812 0.02 3 364 130 32 TYR C C 174.257 0.2 1 365 130 32 TYR CA C 59.163 0.2 1 366 130 32 TYR CB C 39.485 0.2 1 367 130 32 TYR CD1 C 132.943 0.2 3 368 130 32 TYR CD2 C 132.943 0.2 3 369 130 32 TYR CE1 C 118.053 0.2 3 370 130 32 TYR CE2 C 118.053 0.2 3 371 130 32 TYR N N 125.071 0.2 1 stop_ save_