data_30003 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of TAZ2-p53AD2 ; _BMRB_accession_number 30003 _BMRB_flat_file_name bmr30003.str _Entry_type original _Submission_date 2016-01-19 _Accession_date 2016-01-19 _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 Krois A. S. . 2 Ferreon J. C. . 3 Martinez-Yamout M. A. . 4 Dyson H. J. . 5 Wright P. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 724 "13C chemical shifts" 385 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-14 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 30002 'Solution Structure of p53TAD-TAZ1' 30004 'Solution Structure of TAZ2-p53TAD' stop_ _Original_release_date 2016-03-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Recognition of the Disordered p53 Transactivation Domain by the Transcriptional Adapter Zinc Finger Domains of CREB-Binding Protein ; _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krois A. S. . 2 Ferreon J. C. . 3 Martinez-Yamout M. A. . 4 Dyson H. J. . 5 Wright P. E. . stop_ _Journal_abbreviation 'to be published' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'CREB-binding protein,Cellular tumor antigen p53 (E.C.2.3.1.48)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'entity_ZN, 1' $entity_ZN 'entity_ZN, 2' $entity_ZN 'entity_ZN, 3' $entity_ZN stop_ _System_molecular_weight . _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 'CREB-binding protein,Cellular tumor antigen p53 fusion protein' _Molecular_mass 13707.868 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; SPQESRRLSIQRCIQSLVHA CQCRNANCSLPSCQKMKRVV QHTKGCKRKTNGGCPVCKQL IALCCYHAKHCQENKCPVPF CLNIKHKLRQQQGSGSGSQA MDDLMLSPDDIEQWFTEDPG PD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1764 SER 2 1765 PRO 3 1766 GLN 4 1767 GLU 5 1768 SER 6 1769 ARG 7 1770 ARG 8 1771 LEU 9 1772 SER 10 1773 ILE 11 1774 GLN 12 1775 ARG 13 1776 CYS 14 1777 ILE 15 1778 GLN 16 1779 SER 17 1780 LEU 18 1781 VAL 19 1782 HIS 20 1783 ALA 21 1784 CYS 22 1785 GLN 23 1786 CYS 24 1787 ARG 25 1788 ASN 26 1789 ALA 27 1790 ASN 28 1791 CYS 29 1792 SER 30 1793 LEU 31 1794 PRO 32 1795 SER 33 1796 CYS 34 1797 GLN 35 1798 LYS 36 1799 MET 37 1800 LYS 38 1801 ARG 39 1802 VAL 40 1803 VAL 41 1804 GLN 42 1805 HIS 43 1806 THR 44 1807 LYS 45 1808 GLY 46 1809 CYS 47 1810 LYS 48 1811 ARG 49 1812 LYS 50 1813 THR 51 1814 ASN 52 1815 GLY 53 1816 GLY 54 1817 CYS 55 1818 PRO 56 1819 VAL 57 1820 CYS 58 1821 LYS 59 1822 GLN 60 1823 LEU 61 1824 ILE 62 1825 ALA 63 1826 LEU 64 1827 CYS 65 1828 CYS 66 1829 TYR 67 1830 HIS 68 1831 ALA 69 1832 LYS 70 1833 HIS 71 1834 CYS 72 1835 GLN 73 1836 GLU 74 1837 ASN 75 1838 LYS 76 1839 CYS 77 1840 PRO 78 1841 VAL 79 1842 PRO 80 1843 PHE 81 1844 CYS 82 1845 LEU 83 1846 ASN 84 1847 ILE 85 1848 LYS 86 1849 HIS 87 1850 LYS 88 1851 LEU 89 1852 ARG 90 1853 GLN 91 1854 GLN 92 1855 GLN 93 2001 GLY 94 2002 SER 95 2003 GLY 96 2004 SER 97 2005 GLY 98 3037 SER 99 3038 GLN 100 3039 ALA 101 3040 MET 102 3041 ASP 103 3042 ASP 104 3043 LEU 105 3044 MET 106 3045 LEU 107 3046 SER 108 3047 PRO 109 3048 ASP 110 3049 ASP 111 3050 ILE 112 3051 GLU 113 3052 GLN 114 3053 TRP 115 3054 PHE 116 3055 THR 117 3056 GLU 118 3057 ASP 119 3058 PRO 120 3059 GLY 121 3060 PRO 122 3061 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Crebbp, Cbp' $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'TP53, P53' 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' . Escherichia coli 'BL21 (DE3) [DNAY]' . $entity_1 'recombinant technology' . Escherichia coli 'BL21 (DE3) [DNAY]' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 10 % [U-2H] DTT 2 mM 'natural abundance' $entity_1 1 mM '[U-13C; U-15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 2 mM [U-2H] $entity_1 1 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' H2O 1 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] DTT 2 mM 'natural abundance' $entity_1 1 mM '[U-13C; U-15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-13C] TAZ2, 1 mM p53AD2(38-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 5 % [U-2H] D2O, 99% D2O, 1% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] DTT 2 mM [U-2H] $entity_1 1 mM [U-13C] TRIS 20 mM [U-2H] $entity_1 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % [U-2H] stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C] p53AD2, 1 mM TAZ2, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 2 mM [U-2H] $entity_1 1 mM 'natural abundance' TRIS 20 mM [U-2H] $entity_1 1 mM [U-13C] 'sodium chloride' 50 mM 'natural abundance' H2O 1 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 12 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name PSVS _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . 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 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_4 save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.8 . pH pressure 1 . atm temperature 305 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.4 . pD pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Referenced using an external DSS sample' 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 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCACB' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1764 1 SER CA C 56.793 . 1 2 1764 1 SER CB C 63.109 . 1 3 1764 1 SER HA H 4.908 . 1 4 1764 1 SER HB2 H 4.055 . 2 5 1764 1 SER HB3 H 4.35 . 2 6 1765 2 PRO CA C 65.215 . 1 7 1765 2 PRO CB C 31.7518 . 1 8 1765 2 PRO CD C 50.9348 . 1 9 1765 2 PRO CG C 27.5408 . 1 10 1765 2 PRO HA H 4.433 . 1 11 1765 2 PRO HB2 H 1.994 . 2 12 1765 2 PRO HB3 H 2.462 . 2 13 1765 2 PRO HD2 H 3.964 . 2 14 1765 2 PRO HD3 H 3.996 . 2 15 1765 2 PRO HG2 H 2.023 . 2 16 1765 2 PRO HG3 H 2.127 . 2 17 1766 3 GLN CA C 59.132 . 1 18 1766 3 GLN CB C 28.0178 . 1 19 1766 3 GLN CG C 34.3338 . 1 20 1766 3 GLN H H 8.436 . 1 21 1766 3 GLN HA H 4.13 . 1 22 1766 3 GLN HB2 H 2.117 . 2 23 1766 3 GLN HB3 H 2.233 . 2 24 1766 3 GLN HE21 H 6.894 . 2 25 1766 3 GLN HE22 H 7.543 . 2 26 1766 3 GLN HG2 H 2.476 . 2 27 1766 3 GLN HG3 H 2.53 . 2 28 1766 3 GLN N N 117.316 . 1 29 1766 3 GLN NE2 N 111.998 . 1 30 1767 4 GLU CA C 58.664 . 1 31 1767 4 GLU CB C 29.8888 . 1 32 1767 4 GLU CG C 36.4398 . 1 33 1767 4 GLU H H 7.902 . 1 34 1767 4 GLU HA H 4.18 . 1 35 1767 4 GLU HB2 H 2.105 . 2 36 1767 4 GLU HB3 H 2.18 . 2 37 1767 4 GLU HG2 H 2.364 . 2 38 1767 4 GLU HG3 H 2.364 . 2 39 1767 4 GLU N N 121.605 . 1 40 1768 5 SER CA C 61.238 . 1 41 1768 5 SER CB C 62.642 . 1 42 1768 5 SER H H 8.372 . 1 43 1768 5 SER HA H 4.25 . 1 44 1768 5 SER HB2 H 3.965 . 2 45 1768 5 SER HB3 H 3.965 . 2 46 1768 5 SER N N 115.086 . 1 47 1769 6 ARG CA C 58.197 . 1 48 1769 6 ARG H H 8.086 . 1 49 1769 6 ARG HA H 4.323 . 1 50 1769 6 ARG HB2 H 1.96 . 2 51 1769 6 ARG HB3 H 1.96 . 2 52 1769 6 ARG HD2 H 2.98 . 2 53 1769 6 ARG HD3 H 3.23 . 2 54 1769 6 ARG HG2 H 1.63 . 2 55 1769 6 ARG HG3 H 1.88 . 2 56 1769 6 ARG N N 122.291 . 1 57 1770 7 ARG CA C 59.834 . 1 58 1770 7 ARG CB C 30.1228 . 1 59 1770 7 ARG CD C 43.4578 . 1 60 1770 7 ARG CG C 27.5498 . 1 61 1770 7 ARG H H 7.905 . 1 62 1770 7 ARG HA H 3.942 . 1 63 1770 7 ARG HB2 H 1.983 . 2 64 1770 7 ARG HB3 H 1.983 . 2 65 1770 7 ARG HD2 H 3.253 . 2 66 1770 7 ARG HD3 H 3.253 . 2 67 1770 7 ARG HG2 H 1.61 . 2 68 1770 7 ARG HG3 H 1.802 . 2 69 1770 7 ARG N N 119.375 . 1 70 1771 8 LEU CA C 57.729 . 1 71 1771 8 LEU CB C 41.5778 . 1 72 1771 8 LEU CD1 C 23.5546 . 2 73 1771 8 LEU CD2 C 24.9668 . 2 74 1771 8 LEU CG C 27.0728 . 1 75 1771 8 LEU H H 8.059 . 1 76 1771 8 LEU HA H 4.152 . 1 77 1771 8 LEU HB2 H 1.641 . 2 78 1771 8 LEU HB3 H 1.864 . 2 79 1771 8 LEU HD1 H 0.912 . 2 80 1771 8 LEU HD2 H 0.967 . 2 81 1771 8 LEU HG H 1.769 . 1 82 1771 8 LEU N N 119.546 . 1 83 1772 9 SER CA C 61.706 . 1 84 1772 9 SER CB C 62.876 . 1 85 1772 9 SER H H 8.046 . 1 86 1772 9 SER HA H 4.218 . 1 87 1772 9 SER HB2 H 3.939 . 2 88 1772 9 SER HB3 H 4.059 . 2 89 1772 9 SER N N 116.115 . 1 90 1773 10 ILE CA C 65.683 . 1 91 1773 10 ILE CB C 37.8338 . 1 92 1773 10 ILE CD1 C 13.7286 . 1 93 1773 10 ILE CG1 C 29.6458 . 1 94 1773 10 ILE CG2 C 17.2376 . 1 95 1773 10 ILE H H 8.208 . 1 96 1773 10 ILE HA H 3.449 . 1 97 1773 10 ILE HB H 1.774 . 1 98 1773 10 ILE HD1 H 0.557 . 1 99 1773 10 ILE HG12 H 1.601 . 2 100 1773 10 ILE HG13 H 1.601 . 2 101 1773 10 ILE HG2 H 0.49 . 1 102 1773 10 ILE N N 122.634 . 1 103 1774 11 GLN CA C 59.366 . 1 104 1774 11 GLN CB C 28.0178 . 1 105 1774 11 GLN CG C 34.0998 . 1 106 1774 11 GLN H H 8.105 . 1 107 1774 11 GLN HA H 4.027 . 1 108 1774 11 GLN HB2 H 2.164 . 2 109 1774 11 GLN HB3 H 2.223 . 2 110 1774 11 GLN HE21 H 7.519 . 2 111 1774 11 GLN HE22 H 6.854 . 2 112 1774 11 GLN HG2 H 2.471 . 2 113 1774 11 GLN HG3 H 2.563 . 2 114 1774 11 GLN N N 118.517 . 1 115 1774 11 GLN NE2 N 111.312 . 1 116 1775 12 ARG CA C 58.898 . 1 117 1775 12 ARG CB C 29.6548 . 1 118 1775 12 ARG CD C 43.2238 . 1 119 1775 12 ARG CG C 27.5498 . 1 120 1775 12 ARG H H 8.263 . 1 121 1775 12 ARG HA H 4.159 . 1 122 1775 12 ARG HB2 H 1.958 . 2 123 1775 12 ARG HB3 H 1.958 . 2 124 1775 12 ARG HD2 H 3.244 . 2 125 1775 12 ARG HD3 H 3.244 . 2 126 1775 12 ARG HG2 H 1.72 . 2 127 1775 12 ARG HG3 H 1.72 . 2 128 1775 12 ARG N N 119.375 . 1 129 1776 13 CYS CA C 63.343 . 1 130 1776 13 CYS CB C 26.8478 . 1 131 1776 13 CYS H H 8.024 . 1 132 1776 13 CYS HA H 4.229 . 1 133 1776 13 CYS HB2 H 2.813 . 2 134 1776 13 CYS HB3 H 3.164 . 2 135 1776 13 CYS N N 119.889 . 1 136 1777 14 ILE CA C 64.981 . 1 137 1777 14 ILE CB C 36.8988 . 1 138 1777 14 ILE CD1 C 13.9626 . 1 139 1777 14 ILE CG1 C 29.6458 . 1 140 1777 14 ILE CG2 C 18.4076 . 1 141 1777 14 ILE H H 8.619 . 1 142 1777 14 ILE HA H 3.77 . 1 143 1777 14 ILE HB H 2.221 . 1 144 1777 14 ILE HD1 H 1.041 . 1 145 1777 14 ILE HG12 H 1.31 . 2 146 1777 14 ILE HG13 H 1.924 . 2 147 1777 14 ILE HG2 H 1.14 . 1 148 1777 14 ILE N N 119.889 . 1 149 1778 15 GLN CA C 59.366 . 1 150 1778 15 GLN CB C 28.0178 . 1 151 1778 15 GLN CG C 34.3338 . 1 152 1778 15 GLN H H 8.354 . 1 153 1778 15 GLN HA H 4.118 . 1 154 1778 15 GLN HB2 H 2.245 . 2 155 1778 15 GLN HB3 H 2.336 . 2 156 1778 15 GLN HE21 H 7.466 . 2 157 1778 15 GLN HE22 H 6.83 . 2 158 1778 15 GLN HG2 H 2.534 . 2 159 1778 15 GLN HG3 H 2.639 . 2 160 1778 15 GLN N N 119.203 . 1 161 1778 15 GLN NE2 N 111.14 . 1 162 1779 16 SER CA C 61.94 . 1 163 1779 16 SER CB C 62.876 . 1 164 1779 16 SER H H 8.1 . 1 165 1779 16 SER HA H 4.411 . 1 166 1779 16 SER HB2 H 3.915 . 2 167 1779 16 SER HB3 H 4.144 . 2 168 1779 16 SER N N 116.458 . 1 169 1780 17 LEU CA C 58.664 . 1 170 1780 17 LEU CB C 42.0448 . 1 171 1780 17 LEU CD1 C 23.3206 . 2 172 1780 17 LEU CD2 C 26.8388 . 2 173 1780 17 LEU CG C 27.3068 . 1 174 1780 17 LEU H H 8.12 . 1 175 1780 17 LEU HA H 4.086 . 1 176 1780 17 LEU HB2 H 1.608 . 2 177 1780 17 LEU HB3 H 2.313 . 2 178 1780 17 LEU HD1 H 0.823 . 2 179 1780 17 LEU HD2 H 0.894 . 2 180 1780 17 LEU HG H 1.481 . 1 181 1780 17 LEU N N 125.208 . 1 182 1781 18 VAL CA C 67.321 . 1 183 1781 18 VAL CB C 31.7518 . 1 184 1781 18 VAL CG1 C 20.9806 . 2 185 1781 18 VAL CG2 C 23.0866 . 2 186 1781 18 VAL H H 8.612 . 1 187 1781 18 VAL HA H 3.287 . 1 188 1781 18 VAL HB H 2.142 . 1 189 1781 18 VAL HG1 H 0.925 . 2 190 1781 18 VAL HG2 H 0.974 . 2 191 1781 18 VAL N N 119.203 . 1 192 1782 19 HIS CA C 60.068 . 1 193 1782 19 HIS CB C 27.7838 . 1 194 1782 19 HIS CD2 C 129.3164 . . 195 1782 19 HIS CE1 C 139.1424 . 1 196 1782 19 HIS H H 7.98 . 1 197 1782 19 HIS HA H 4.221 . 1 198 1782 19 HIS HB2 H 3.299 . 2 199 1782 19 HIS HB3 H 3.376 . 2 200 1782 19 HIS HD2 H 7.31 . 1 201 1782 19 HIS HE1 H 7.976 . 1 202 1782 19 HIS N N 116.115 . 1 203 1783 20 ALA CA C 55.155 . 1 204 1783 20 ALA CB C 20.0636 . 1 205 1783 20 ALA H H 8.524 . 1 206 1783 20 ALA HA H 4.297 . 1 207 1783 20 ALA HB H 1.688 . 1 208 1783 20 ALA N N 121.262 . 1 209 1784 21 CYS CA C 62.174 . 1 210 1784 21 CYS CB C 26.8478 . 1 211 1784 21 CYS H H 7.833 . 1 212 1784 21 CYS HA H 4.27 . 1 213 1784 21 CYS HB2 H 2.782 . 2 214 1784 21 CYS HB3 H 2.931 . 2 215 1784 21 CYS N N 111.655 . 1 216 1785 22 GLN CA C 54.921 . 1 217 1785 22 GLN CB C 30.8248 . 1 218 1785 22 GLN CG C 33.6318 . 1 219 1785 22 GLN H H 7.316 . 1 220 1785 22 GLN HA H 4.511 . 1 221 1785 22 GLN HB2 H 2.033 . 2 222 1785 22 GLN HB3 H 2.11 . 2 223 1785 22 GLN HE21 H 6.92 . 2 224 1785 22 GLN HE22 H 7.294 . 2 225 1785 22 GLN HG2 H 2.276 . 2 226 1785 22 GLN HG3 H 2.483 . 2 227 1785 22 GLN N N 115.772 . 1 228 1785 22 GLN NE2 N 111.998 . 1 229 1786 23 CYS CA C 60.536 . 1 230 1786 23 CYS CB C 29.1868 . 1 231 1786 23 CYS H H 7.221 . 1 232 1786 23 CYS HA H 3.932 . 1 233 1786 23 CYS HB2 H 2.032 . 2 234 1786 23 CYS HB3 H 2.561 . 2 235 1786 23 CYS N N 124.007 . 1 236 1787 24 ARG CA C 54.4538 . 1 237 1787 24 ARG CB C 29.8888 . 1 238 1787 24 ARG CD C 42.9898 . 1 239 1787 24 ARG CG C 26.8478 . 1 240 1787 24 ARG H H 8.843 . 1 241 1787 24 ARG HA H 4.609 . 1 242 1787 24 ARG HB2 H 1.645 . 2 243 1787 24 ARG HB3 H 2.156 . 2 244 1787 24 ARG HD2 H 3.192 . 2 245 1787 24 ARG HD3 H 3.192 . 2 246 1787 24 ARG HG2 H 1.592 . 2 247 1787 24 ARG HG3 H 1.676 . 2 248 1787 24 ARG N N 129.153 . 1 249 1788 25 ASN CA C 51.6458 . 1 250 1788 25 ASN CB C 39.0128 . 1 251 1788 25 ASN H H 7.881 . 1 252 1788 25 ASN HA H 4.86 . 1 253 1788 25 ASN HB2 H 2.864 . 2 254 1788 25 ASN HB3 H 3.008 . 2 255 1788 25 ASN HD21 H 7.002 . 2 256 1788 25 ASN HD22 H 7.807 . 2 257 1788 25 ASN N N 120.232 . 1 258 1788 25 ASN ND2 N 111.312 . 1 259 1789 26 ALA CA C 54.2198 . 1 260 1789 26 ALA CB C 18.4256 . 1 261 1789 26 ALA H H 9.087 . 1 262 1789 26 ALA HA H 4.116 . 1 263 1789 26 ALA HB H 1.451 . 1 264 1789 26 ALA N N 130.011 . 1 265 1790 27 ASN CA C 51.6458 . 1 266 1790 27 ASN CB C 38.7788 . 1 267 1790 27 ASN H H 8.032 . 1 268 1790 27 ASN HA H 4.859 . 1 269 1790 27 ASN HB2 H 2.626 . 2 270 1790 27 ASN HB3 H 2.97 . 2 271 1790 27 ASN HD21 H 6.87 . 2 272 1790 27 ASN HD22 H 7.595 . 2 273 1790 27 ASN N N 113.885 . 1 274 1790 27 ASN ND2 N 112.856 . 1 275 1791 28 CYS CA C 61.706 . 1 276 1791 28 CYS CB C 29.8888 . 1 277 1791 28 CYS H H 7.151 . 1 278 1791 28 CYS HA H 4.05 . 1 279 1791 28 CYS HB2 H 3.03 . 2 280 1791 28 CYS HB3 H 3.03 . 2 281 1791 28 CYS N N 122.977 . 1 282 1792 29 SER CA C 57.729 . 1 283 1792 29 SER CB C 63.811 . 1 284 1792 29 SER H H 8.75 . 1 285 1792 29 SER HA H 4.637 . 1 286 1792 29 SER HB2 H 3.878 . 2 287 1792 29 SER HB3 H 4.137 . 2 288 1792 29 SER N N 124.178 . 1 289 1793 30 LEU CA C 54.2108 . 1 290 1793 30 LEU CB C 40.6418 . 1 291 1793 30 LEU CD1 C 24.2566 . 2 292 1793 30 LEU CD2 C 23.0866 . 2 293 1793 30 LEU CG C 27.3068 . 1 294 1793 30 LEU H H 8.539 . 1 295 1793 30 LEU HA H 4.511 . 1 296 1793 30 LEU HB2 H 1.417 . 2 297 1793 30 LEU HB3 H 1.637 . 2 298 1793 30 LEU HD1 H 0.58 . 2 299 1793 30 LEU HD2 H 0.651 . 2 300 1793 30 LEU HG H 1.639 . 1 301 1793 30 LEU N N 128.467 . 1 302 1794 31 PRO CA C 65.215 . 1 303 1794 31 PRO CB C 31.9858 . 1 304 1794 31 PRO CD C 50.9348 . 1 305 1794 31 PRO CG C 27.3068 . 1 306 1794 31 PRO HA H 4.35 . 1 307 1794 31 PRO HB2 H 2.01 . 2 308 1794 31 PRO HB3 H 2.416 . 2 309 1794 31 PRO HD2 H 3.767 . 2 310 1794 31 PRO HD3 H 4.198 . 2 311 1794 31 PRO HG2 H 2.095 . 2 312 1794 31 PRO HG3 H 2.19 . 2 313 1795 32 SER CA C 60.536 . 1 314 1795 32 SER CB C 62.642 . 1 315 1795 32 SER H H 8.43 . 1 316 1795 32 SER HA H 4.285 . 1 317 1795 32 SER HB2 H 4.016 . 2 318 1795 32 SER HB3 H 4.127 . 2 319 1795 32 SER N N 111.998 . 1 320 1796 33 CYS CA C 64.045 . 1 321 1796 33 CYS CB C 29.6548 . 1 322 1796 33 CYS H H 7.534 . 1 323 1796 33 CYS HA H 4.185 . 1 324 1796 33 CYS HB2 H 2.796 . 2 325 1796 33 CYS HB3 H 3.257 . 2 326 1796 33 CYS N N 125.379 . 1 327 1797 34 GLN CA C 59.6 . 1 328 1797 34 GLN CB C 28.0178 . 1 329 1797 34 GLN CG C 34.0998 . 1 330 1797 34 GLN H H 8.131 . 1 331 1797 34 GLN HA H 3.995 . 1 332 1797 34 GLN HB2 H 2.174 . 2 333 1797 34 GLN HB3 H 2.226 . 2 334 1797 34 GLN HE21 H 6.795 . 2 335 1797 34 GLN HE22 H 7.407 . 2 336 1797 34 GLN HG2 H 2.506 . 2 337 1797 34 GLN HG3 H 2.572 . 2 338 1797 34 GLN N N 115.6 . 1 339 1797 34 GLN NE2 N 110.797 . 1 340 1798 35 LYS CA C 59.366 . 1 341 1798 35 LYS CB C 32.4538 . 1 342 1798 35 LYS CD C 29.1778 . 1 343 1798 35 LYS CE C 41.8118 . 1 344 1798 35 LYS CG C 24.9668 . 1 345 1798 35 LYS H H 8.01 . 1 346 1798 35 LYS HA H 4.078 . 1 347 1798 35 LYS HB2 H 1.896 . 2 348 1798 35 LYS HB3 H 1.972 . 2 349 1798 35 LYS HD2 H 1.77 . 2 350 1798 35 LYS HD3 H 1.77 . 2 351 1798 35 LYS HE2 H 3.016 . 2 352 1798 35 LYS HE3 H 3.016 . 2 353 1798 35 LYS HG2 H 1.462 . 2 354 1798 35 LYS HG3 H 1.571 . 2 355 1798 35 LYS N N 117.659 . 1 356 1799 36 MET CA C 57.027 . 1 357 1799 36 MET CB C 31.2838 . 1 358 1799 36 MET CE C 17.2376 . 1 359 1799 36 MET CG C 33.3888 . 1 360 1799 36 MET H H 8.173 . 1 361 1799 36 MET HA H 4.475 . 1 362 1799 36 MET HB2 H 1.795 . 2 363 1799 36 MET HB3 H 2.338 . 2 364 1799 36 MET HE H 1.865 . 1 365 1799 36 MET HG2 H 2.519 . 2 366 1799 36 MET HG3 H 2.774 . 2 367 1799 36 MET N N 117.316 . 1 368 1800 37 LYS CA C 61.238 . 1 369 1800 37 LYS CB C 33.1548 . 1 370 1800 37 LYS CD C 30.3478 . 1 371 1800 37 LYS CE C 42.7468 . 1 372 1800 37 LYS CG C 27.5408 . 1 373 1800 37 LYS H H 9.163 . 1 374 1800 37 LYS HA H 3.852 . 1 375 1800 37 LYS HB2 H 1.841 . 2 376 1800 37 LYS HB3 H 2.087 . 2 377 1800 37 LYS HD2 H 1.695 . 2 378 1800 37 LYS HD3 H 1.695 . 2 379 1800 37 LYS HE2 H 3.176 . 2 380 1800 37 LYS HE3 H 3.329 . 2 381 1800 37 LYS HG2 H 1.351 . 2 382 1800 37 LYS HG3 H 2.022 . 2 383 1800 37 LYS N N 120.576 . 1 384 1801 38 ARG CA C 59.6 . 1 385 1801 38 ARG CB C 29.8888 . 1 386 1801 38 ARG CD C 43.4578 . 1 387 1801 38 ARG CG C 27.7838 . 1 388 1801 38 ARG H H 7.703 . 1 389 1801 38 ARG HA H 4.172 . 1 390 1801 38 ARG HB2 H 2.023 . 2 391 1801 38 ARG HB3 H 2.023 . 2 392 1801 38 ARG HD2 H 3.286 . 2 393 1801 38 ARG HD3 H 3.286 . 2 394 1801 38 ARG HG2 H 1.707 . 2 395 1801 38 ARG HG3 H 1.707 . 2 396 1801 38 ARG N N 118.002 . 1 397 1802 39 VAL CA C 66.853 . 1 398 1802 39 VAL CB C 31.5178 . 1 399 1802 39 VAL CG1 C 23.0866 . 2 400 1802 39 VAL CG2 C 22.1506 . 2 401 1802 39 VAL H H 7.797 . 1 402 1802 39 VAL HA H 3.74 . 1 403 1802 39 VAL HB H 2.275 . 1 404 1802 39 VAL HG1 H 1.015 . 2 405 1802 39 VAL HG2 H 0.91 . 2 406 1802 39 VAL N N 121.605 . 1 407 1803 40 VAL CA C 67.321 . 1 408 1803 40 VAL CB C 31.7518 . 1 409 1803 40 VAL CG1 C 21.4486 . 2 410 1803 40 VAL CG2 C 23.5546 . 2 411 1803 40 VAL H H 8.307 . 1 412 1803 40 VAL HA H 3.544 . 1 413 1803 40 VAL HB H 2.186 . 1 414 1803 40 VAL HG1 H 0.96 . 2 415 1803 40 VAL HG2 H 0.992 . 2 416 1803 40 VAL N N 120.576 . 1 417 1804 41 GLN CA C 58.664 . 1 418 1804 41 GLN CB C 28.2518 . 1 419 1804 41 GLN H H 8.059 . 1 420 1804 41 GLN HA H 4.018 . 1 421 1804 41 GLN HB2 H 2.076 . 2 422 1804 41 GLN HB3 H 2.143 . 2 423 1804 41 GLN HE21 H 6.859 . 2 424 1804 41 GLN HE22 H 7.468 . 2 425 1804 41 GLN HG2 H 2.47 . 2 426 1804 41 GLN HG3 H 2.47 . 2 427 1804 41 GLN N N 119.546 . 1 428 1804 41 GLN NE2 N 111.655 . 1 429 1805 42 HIS CA C 59.6 . 1 430 1805 42 HIS CB C 27.3158 . 1 431 1805 42 HIS CD2 C 129.0824 . . 432 1805 42 HIS CE1 C 140.0784 . 1 433 1805 42 HIS H H 8.202 . 1 434 1805 42 HIS HA H 4.281 . 1 435 1805 42 HIS HB2 H 3.375 . 2 436 1805 42 HIS HB3 H 3.819 . 2 437 1805 42 HIS HD2 H 7.035 . 1 438 1805 42 HIS HE1 H 8.124 . 1 439 1805 42 HIS N N 118.86 . 1 440 1806 43 THR CA C 65.917 . 1 441 1806 43 THR CB C 69.426 . 1 442 1806 43 THR CG2 C 21.2146 . 1 443 1806 43 THR H H 8.105 . 1 444 1806 43 THR HA H 3.929 . 1 445 1806 43 THR HB H 4.262 . 1 446 1806 43 THR HG1 H 5.52 . 1 447 1806 43 THR HG2 H 1.578 . 1 448 1806 43 THR N N 113.027 . 1 449 1807 44 LYS CA C 58.664 . 1 450 1807 44 LYS CB C 32.2198 . 1 451 1807 44 LYS CD C 28.9438 . 1 452 1807 44 LYS CE C 42.0448 . 1 453 1807 44 LYS CG C 25.4348 . 1 454 1807 44 LYS H H 7.341 . 1 455 1807 44 LYS HA H 4.087 . 1 456 1807 44 LYS HB2 H 1.907 . 2 457 1807 44 LYS HB3 H 1.907 . 2 458 1807 44 LYS HD2 H 1.692 . 2 459 1807 44 LYS HD3 H 1.692 . 2 460 1807 44 LYS HE2 H 2.914 . 2 461 1807 44 LYS HE3 H 2.914 . 2 462 1807 44 LYS HG2 H 1.466 . 2 463 1807 44 LYS HG3 H 1.679 . 2 464 1807 44 LYS N N 119.889 . 1 465 1808 45 GLY CA C 44.6278 . 1 466 1808 45 GLY H H 7.105 . 1 467 1808 45 GLY HA2 H 3.662 . 2 468 1808 45 GLY HA3 H 4.405 . 2 469 1808 45 GLY N N 103.592 . 1 470 1809 46 CYS CA C 61.004 . 1 471 1809 46 CYS CB C 30.1228 . 1 472 1809 46 CYS H H 6.905 . 1 473 1809 46 CYS HA H 3.968 . 1 474 1809 46 CYS HB2 H 2.009 . 2 475 1809 46 CYS HB3 H 2.713 . 2 476 1809 46 CYS N N 122.977 . 1 477 1810 47 LYS CA C 56.559 . 1 478 1810 47 LYS CB C 33.1548 . 1 479 1810 47 LYS CD C 28.7098 . 1 480 1810 47 LYS CE C 42.0448 . 1 481 1810 47 LYS CG C 25.2008 . 1 482 1810 47 LYS H H 9.052 . 1 483 1810 47 LYS HA H 4.492 . 1 484 1810 47 LYS HB2 H 1.864 . 2 485 1810 47 LYS HB3 H 2.05 . 2 486 1810 47 LYS HD2 H 1.744 . 2 487 1810 47 LYS HD3 H 1.744 . 2 488 1810 47 LYS HE2 H 3.075 . 2 489 1810 47 LYS HE3 H 3.075 . 2 490 1810 47 LYS HG2 H 1.561 . 2 491 1810 47 LYS HG3 H 1.652 . 2 492 1810 47 LYS N N 128.12 . 1 493 1811 48 ARG CA C 57.963 . 1 494 1811 48 ARG CB C 31.7608 . 1 495 1811 48 ARG CD C 43.6918 . 1 496 1811 48 ARG CG C 27.7838 . 1 497 1811 48 ARG H H 8.514 . 1 498 1811 48 ARG HA H 4.38 . 1 499 1811 48 ARG HB2 H 1.831 . 2 500 1811 48 ARG HB3 H 1.831 . 2 501 1811 48 ARG HD2 H 3.315 . 2 502 1811 48 ARG HD3 H 3.315 . 2 503 1811 48 ARG HG2 H 1.722 . 2 504 1811 48 ARG HG3 H 1.886 . 2 505 1811 48 ARG N N 122.463 . 1 506 1812 49 LYS CA C 57.729 . 1 507 1812 49 LYS CB C 31.9858 . 1 508 1812 49 LYS CD C 29.6458 . 1 509 1812 49 LYS CE C 42.5128 . 1 510 1812 49 LYS CG C 24.4906 . 1 511 1812 49 LYS H H 8.441 . 1 512 1812 49 LYS HA H 4.554 . 1 513 1812 49 LYS HB2 H 2.086 . 2 514 1812 49 LYS HB3 H 2.308 . 2 515 1812 49 LYS HD2 H 1.712 . 2 516 1812 49 LYS HD3 H 2.11 . 2 517 1812 49 LYS HE2 H 3.141 . 2 518 1812 49 LYS HE3 H 3.188 . 2 519 1812 49 LYS HG2 H 1.283 . 2 520 1812 49 LYS HG3 H 1.603 . 2 521 1812 49 LYS N N 118.174 . 1 522 1813 50 THR CA C 64.279 . 1 523 1813 50 THR CB C 68.49 . 1 524 1813 50 THR CG2 C 21.9166 . 1 525 1813 50 THR H H 7.685 . 1 526 1813 50 THR HA H 4.092 . 1 527 1813 50 THR HB H 4.22 . 1 528 1813 50 THR HG2 H 1.23 . 1 529 1813 50 THR N N 113.889 . 1 530 1814 51 ASN CA C 53.5178 . 1 531 1814 51 ASN CB C 38.0768 . 1 532 1814 51 ASN H H 8.165 . 1 533 1814 51 ASN HA H 4.789 . 1 534 1814 51 ASN HB2 H 2.878 . 2 535 1814 51 ASN HB3 H 2.878 . 2 536 1814 51 ASN HD21 H 6.783 . 2 537 1814 51 ASN HD22 H 7.571 . 2 538 1814 51 ASN ND2 N 111.998 . 1 539 1815 52 GLY CA C 45.7978 . 1 540 1815 52 GLY H H 7.878 . 1 541 1815 52 GLY HA2 H 4.005 . 2 542 1815 52 GLY HA3 H 4.005 . 2 543 1815 52 GLY N N 107.1938 . 1 544 1816 53 GLY CA C 45.3298 . 1 545 1816 53 GLY H H 7.71 . 1 546 1816 53 GLY HA2 H 3.918 . 2 547 1816 53 GLY HA3 H 4.023 . 2 548 1816 53 GLY N N 106.680 . 1 549 1817 54 CYS CA C 55.389 . 1 550 1817 54 CYS CB C 30.8248 . 1 551 1817 54 CYS H H 7.933 . 1 552 1817 54 CYS HA H 4.849 . 1 553 1817 54 CYS HB2 H 2.606 . 2 554 1817 54 CYS HB3 H 2.909 . 2 555 1817 54 CYS N N 122.12 . 1 556 1818 55 PRO CA C 65.215 . 1 557 1818 55 PRO CB C 32.4538 . 1 558 1818 55 PRO CD C 51.6368 . 1 559 1818 55 PRO CG C 27.3068 . 1 560 1818 55 PRO HA H 4.259 . 1 561 1818 55 PRO HB2 H 1.965 . 2 562 1818 55 PRO HB3 H 2.347 . 2 563 1818 55 PRO HD2 H 4.042 . 2 564 1818 55 PRO HD3 H 4.076 . 2 565 1818 55 PRO HG2 H 2.111 . 2 566 1818 55 PRO HG3 H 2.111 . 2 567 1819 56 VAL CA C 65.917 . 1 568 1819 56 VAL CB C 32.6878 . 1 569 1819 56 VAL CG1 C 22.1506 . 2 570 1819 56 VAL CG2 C 22.1506 . 2 571 1819 56 VAL H H 7.579 . 1 572 1819 56 VAL HA H 3.767 . 1 573 1819 56 VAL HB H 1.781 . 1 574 1819 56 VAL HG1 H 0.877 . 2 575 1819 56 VAL HG2 H 0.835 . 2 576 1819 56 VAL N N 120.576 . 1 577 1820 57 CYS CA C 66.151 . 1 578 1820 57 CYS CB C 29.1868 . 1 579 1820 57 CYS H H 8.774 . 1 580 1820 57 CYS HA H 4.134 . 1 581 1820 57 CYS HB2 H 2.751 . 2 582 1820 57 CYS HB3 H 2.936 . 2 583 1820 57 CYS N N 123.049 . 1 584 1821 58 LYS CA C 60.068 . 1 585 1821 58 LYS CB C 32.6878 . 1 586 1821 58 LYS CD C 29.4118 . 1 587 1821 58 LYS CE C 41.5778 . 1 588 1821 58 LYS CG C 25.4348 . 1 589 1821 58 LYS H H 7.898 . 1 590 1821 58 LYS HA H 3.891 . 1 591 1821 58 LYS HB2 H 1.767 . 2 592 1821 58 LYS HB3 H 1.834 . 2 593 1821 58 LYS HD2 H 1.625 . 2 594 1821 58 LYS HD3 H 1.625 . 2 595 1821 58 LYS HE2 H 2.887 . 2 596 1821 58 LYS HE3 H 2.887 . 2 597 1821 58 LYS HG2 H 1.303 . 2 598 1821 58 LYS HG3 H 1.526 . 2 599 1821 58 LYS N N 117.488 . 1 600 1822 59 GLN CA C 58.664 . 1 601 1822 59 GLN CB C 28.2518 . 1 602 1822 59 GLN H H 7.337 . 1 603 1822 59 GLN HA H 3.827 . 1 604 1822 59 GLN HB2 H 2.098 . 2 605 1822 59 GLN HB3 H 2.098 . 2 606 1822 59 GLN HG2 H 2.51 . 2 607 1822 59 GLN HG3 H 2.51 . 2 608 1822 59 GLN N N 118.345 . 1 609 1823 60 LEU CA C 58.197 . 1 610 1823 60 LEU CB C 41.3438 . 1 611 1823 60 LEU CD1 C 24.0226 . 2 612 1823 60 LEU CD2 C 26.1368 . 2 613 1823 60 LEU CG C 27.3068 . 1 614 1823 60 LEU H H 8.219 . 1 615 1823 60 LEU HA H 4.323 . 1 616 1823 60 LEU HB2 H 1.687 . 2 617 1823 60 LEU HB3 H 2.144 . 2 618 1823 60 LEU HD1 H 0.98 . 2 619 1823 60 LEU HD2 H 1.077 . 2 620 1823 60 LEU HG H 1.877 . 1 621 1823 60 LEU N N 119.375 . 1 622 1824 61 ILE CA C 64.981 . 1 623 1824 61 ILE CB C 36.8988 . 1 624 1824 61 ILE CD1 C 12.3246 . 1 625 1824 61 ILE CG1 C 30.1138 . 1 626 1824 61 ILE CG2 C 17.7056 . 1 627 1824 61 ILE H H 8.738 . 1 628 1824 61 ILE HA H 3.625 . 1 629 1824 61 ILE HB H 1.855 . 1 630 1824 61 ILE HD1 H 0.529 . 1 631 1824 61 ILE HG12 H 0.855 . 2 632 1824 61 ILE HG13 H 1.447 . 2 633 1824 61 ILE HG2 H 0.852 . 1 634 1824 61 ILE N N 119.375 . 1 635 1825 62 ALA CA C 55.857 . 1 636 1825 62 ALA CB C 18.4256 . 1 637 1825 62 ALA H H 7.814 . 1 638 1825 62 ALA HA H 4.213 . 1 639 1825 62 ALA HB H 1.656 . 1 640 1825 62 ALA N N 122.806 . 1 641 1826 63 LEU CA C 58.197 . 1 642 1826 63 LEU CB C 42.5128 . 1 643 1826 63 LEU CD1 C 25.4348 . 2 644 1826 63 LEU CD2 C 25.6688 . 2 645 1826 63 LEU CG C 27.3068 . 1 646 1826 63 LEU H H 8.018 . 1 647 1826 63 LEU HA H 4.223 . 1 648 1826 63 LEU HB2 H 1.966 . 2 649 1826 63 LEU HB3 H 2.154 . 2 650 1826 63 LEU HD1 H 0.944 . 2 651 1826 63 LEU HD2 H 1.068 . 2 652 1826 63 LEU HG H 1.667 . 1 653 1826 63 LEU N N 118.688 . 1 654 1827 64 CYS CA C 64.513 . 1 655 1827 64 CYS CB C 26.3798 . 1 656 1827 64 CYS H H 8.82 . 1 657 1827 64 CYS HA H 4.08 . 1 658 1827 64 CYS HB2 H 3.021 . 2 659 1827 64 CYS HB3 H 3.269 . 2 660 1827 64 CYS N N 118.002 . 1 661 1828 65 CYS CA C 63.811 . 1 662 1828 65 CYS CB C 26.6138 . 1 663 1828 65 CYS H H 8.867 . 1 664 1828 65 CYS HA H 4.242 . 1 665 1828 65 CYS HB2 H 2.985 . 2 666 1828 65 CYS HB3 H 3.233 . 2 667 1828 65 CYS N N 119.375 . 1 668 1829 66 TYR CA C 61.94 . 1 669 1829 66 TYR CB C 38.3018 . 1 670 1829 66 TYR CD1 C 133.3114 . 3 671 1829 66 TYR CE1 C 118.1054 . 1 672 1829 66 TYR H H 7.834 . 1 673 1829 66 TYR HA H 4.144 . 1 674 1829 66 TYR HB2 H 3.219 . 2 675 1829 66 TYR HB3 H 3.276 . 2 676 1829 66 TYR HD1 H 7.209 . 3 677 1829 66 TYR HD2 H 7.209 . 3 678 1829 66 TYR HE1 H 6.849 . 3 679 1829 66 TYR HE2 H 6.849 . 3 680 1829 66 TYR N N 119.546 . 1 681 1830 67 HIS CA C 59.132 . 1 682 1830 67 HIS CB C 27.7838 . 1 683 1830 67 HIS CD2 C 129.7844 . . 684 1830 67 HIS CE1 C 140.3124 . 1 685 1830 67 HIS H H 8.265 . 1 686 1830 67 HIS HA H 4.367 . 1 687 1830 67 HIS HB2 H 3.226 . 2 688 1830 67 HIS HB3 H 3.639 . 2 689 1830 67 HIS HD2 H 7.204 . 1 690 1830 67 HIS HE1 H 8.084 . 1 691 1830 67 HIS N N 116.801 . 1 692 1831 68 ALA CA C 54.921 . 1 693 1831 68 ALA CB C 20.0636 . 1 694 1831 68 ALA H H 8.799 . 1 695 1831 68 ALA HA H 4.046 . 1 696 1831 68 ALA HB H 1.659 . 1 697 1831 68 ALA N N 121.948 . 1 698 1832 69 LYS CA C 58.197 . 1 699 1832 69 LYS CB C 32.4538 . 1 700 1832 69 LYS CD C 29.4118 . 1 701 1832 69 LYS CE C 42.0448 . 1 702 1832 69 LYS CG C 25.2008 . 1 703 1832 69 LYS H H 7.229 . 1 704 1832 69 LYS HA H 3.75 . 1 705 1832 69 LYS HB2 H 1.439 . 2 706 1832 69 LYS HB3 H 1.585 . 2 707 1832 69 LYS HD2 H 1.552 . 2 708 1832 69 LYS HD3 H 1.552 . 2 709 1832 69 LYS HE2 H 2.856 . 2 710 1832 69 LYS HE3 H 2.856 . 2 711 1832 69 LYS HG2 H 1.164 . 2 712 1832 69 LYS HG3 H 1.357 . 2 713 1832 69 LYS N N 113.885 . 1 714 1833 70 HIS CA C 54.921 . 1 715 1833 70 HIS CB C 30.5908 . 1 716 1833 70 HIS CD2 C 121.5964 . . 717 1833 70 HIS CE1 C 137.2704 . 1 718 1833 70 HIS H H 7.01 . 1 719 1833 70 HIS HA H 4.718 . 1 720 1833 70 HIS HB2 H 2.811 . 2 721 1833 70 HIS HB3 H 3.397 . 2 722 1833 70 HIS HD2 H 6.975 . 1 723 1833 70 HIS HE1 H 7.796 . 1 724 1833 70 HIS N N 113.37 . 1 725 1834 71 CYS CA C 60.068 . 1 726 1834 71 CYS CB C 30.1228 . 1 727 1834 71 CYS H H 6.962 . 1 728 1834 71 CYS HA H 4.093 . 1 729 1834 71 CYS HB2 H 1.811 . 2 730 1834 71 CYS HB3 H 2.466 . 2 731 1834 71 CYS N N 123.664 . 1 732 1835 72 GLN CA C 54.4538 . 1 733 1835 72 GLN CB C 29.1868 . 1 734 1835 72 GLN CG C 33.3978 . 1 735 1835 72 GLN H H 9.067 . 1 736 1835 72 GLN HA H 4.672 . 1 737 1835 72 GLN HB2 H 1.851 . 2 738 1835 72 GLN HB3 H 2.451 . 2 739 1835 72 GLN HE21 H 6.733 . 2 740 1835 72 GLN HE22 H 7.305 . 2 741 1835 72 GLN HG2 H 2.329 . 2 742 1835 72 GLN HG3 H 2.382 . 2 743 1835 72 GLN N N 128.124 . 1 744 1835 72 GLN NE2 N 112.169 . 1 745 1836 73 GLU CA C 55.623 . 1 746 1836 73 GLU CB C 30.5908 . 1 747 1836 73 GLU CG C 35.7378 . 1 748 1836 73 GLU H H 8.312 . 1 749 1836 73 GLU HA H 4.406 . 1 750 1836 73 GLU HB2 H 1.954 . 2 751 1836 73 GLU HB3 H 2.035 . 2 752 1836 73 GLU HG2 H 2.33 . 2 753 1836 73 GLU HG3 H 2.408 . 2 754 1836 73 GLU N N 123.149 . 1 755 1837 74 ASN CA C 54.921 . 1 756 1837 74 ASN CB C 38.5448 . 1 757 1837 74 ASN H H 8.78 . 1 758 1837 74 ASN HA H 4.555 . 1 759 1837 74 ASN HB2 H 2.84 . 2 760 1837 74 ASN HB3 H 2.84 . 2 761 1837 74 ASN HD21 H 6.943 . 2 762 1837 74 ASN HD22 H 7.579 . 2 763 1837 74 ASN N N 124.178 . 1 764 1837 74 ASN ND2 N 112.684 . 1 765 1838 75 LYS CA C 54.6788 . 1 766 1838 75 LYS CB C 31.0498 . 1 767 1838 75 LYS CD C 29.1778 . 1 768 1838 75 LYS CE C 42.0448 . 1 769 1838 75 LYS CG C 24.7246 . 1 770 1838 75 LYS H H 8.724 . 1 771 1838 75 LYS HA H 4.463 . 1 772 1838 75 LYS HB2 H 1.663 . 2 773 1838 75 LYS HB3 H 1.912 . 2 774 1838 75 LYS HD2 H 1.691 . 2 775 1838 75 LYS HD3 H 1.691 . 2 776 1838 75 LYS HE2 H 3.002 . 2 777 1838 75 LYS HE3 H 3.002 . 2 778 1838 75 LYS HG2 H 1.338 . 2 779 1838 75 LYS HG3 H 1.384 . 2 780 1838 75 LYS N N 121.262 . 1 781 1839 76 CYS CA C 57.495 . 1 782 1839 76 CYS CB C 30.8248 . 1 783 1839 76 CYS H H 7.154 . 1 784 1839 76 CYS HA H 4.419 . 1 785 1839 76 CYS HB2 H 2.876 . 2 786 1839 76 CYS HB3 H 2.957 . 2 787 1839 76 CYS N N 124.35 . 1 788 1840 77 PRO CA C 63.109 . 1 789 1840 77 PRO CB C 32.2198 . 1 790 1840 77 PRO CD C 51.4028 . 1 791 1840 77 PRO CG C 26.3708 . 1 792 1840 77 PRO HA H 4.669 . 1 793 1840 77 PRO HB2 H 2.043 . 2 794 1840 77 PRO HB3 H 2.143 . 2 795 1840 77 PRO HD2 H 3.839 . 2 796 1840 77 PRO HD3 H 4.274 . 2 797 1840 77 PRO HG2 H 1.723 . 2 798 1840 77 PRO HG3 H 2.048 . 2 799 1841 78 VAL CA C 61.94 . 1 800 1841 78 VAL CB C 31.7518 . 1 801 1841 78 VAL CG1 C 23.0866 . 2 802 1841 78 VAL CG2 C 20.9806 . 2 803 1841 78 VAL H H 8.904 . 1 804 1841 78 VAL HA H 4.186 . 1 805 1841 78 VAL HB H 2.21 . 1 806 1841 78 VAL HG1 H 0.448 . 2 807 1841 78 VAL HG2 H 0.845 . 2 808 1841 78 VAL N N 127.952 . 1 809 1842 79 PRO CA C 64.279 . 1 810 1842 79 PRO CB C 31.2838 . 1 811 1842 79 PRO CD C 51.4028 . 1 812 1842 79 PRO CG C 28.0088 . 1 813 1842 79 PRO HA H 3.974 . 1 814 1842 79 PRO HB2 H 1.566 . 2 815 1842 79 PRO HB3 H 1.802 . 2 816 1842 79 PRO HD2 H 3.483 . 2 817 1842 79 PRO HD3 H 4.151 . 2 818 1842 79 PRO HG2 H 1.83 . 2 819 1842 79 PRO HG3 H 1.928 . 2 820 1843 80 PHE CA C 59.6 . 1 821 1843 80 PHE CB C 37.8338 . 1 822 1843 80 PHE CD1 C 132.3754 . 3 823 1843 80 PHE CE1 C 130.9724 . 3 824 1843 80 PHE HA H 4.33 . 1 825 1843 80 PHE HB2 H 3.398 . 2 826 1843 80 PHE HB3 H 3.471 . 2 827 1843 80 PHE HD1 H 7.276 . 3 828 1843 80 PHE HD2 H 7.276 . 3 829 1843 80 PHE HE1 H 7.324 . 3 830 1843 80 PHE HE2 H 7.324 . 3 831 1843 80 PHE HZ H 7.15 . 1 832 1844 81 CYS CA C 64.981 . 1 833 1844 81 CYS CB C 29.8888 . 1 834 1844 81 CYS H H 7.646 . 1 835 1844 81 CYS HA H 4.021 . 1 836 1844 81 CYS HB2 H 2.872 . 2 837 1844 81 CYS HB3 H 3.197 . 2 838 1844 81 CYS N N 123.664 . 1 839 1845 82 LEU CA C 58.664 . 1 840 1845 82 LEU CB C 41.1098 . 1 841 1845 82 LEU CD1 C 24.4906 . 2 842 1845 82 LEU CD2 C 24.7246 . 2 843 1845 82 LEU CG C 27.0728 . 1 844 1845 82 LEU H H 8.145 . 1 845 1845 82 LEU HA H 4.025 . 1 846 1845 82 LEU HB2 H 1.607 . 2 847 1845 82 LEU HB3 H 1.796 . 2 848 1845 82 LEU HD1 H 0.984 . 2 849 1845 82 LEU HD2 H 1 . 2 850 1845 82 LEU HG H 1.721 . 1 851 1845 82 LEU N N 114.914 . 1 852 1846 83 ASN CA C 56.325 . 1 853 1846 83 ASN CB C 38.7788 . 1 854 1846 83 ASN H H 7.831 . 1 855 1846 83 ASN HA H 4.488 . 1 856 1846 83 ASN HB2 H 2.935 . 2 857 1846 83 ASN HB3 H 2.935 . 2 858 1846 83 ASN HD21 H 7.677 . 2 859 1846 83 ASN HD22 H 7.007 . 2 860 1846 83 ASN N N 116.115 . 1 861 1846 83 ASN ND2 N 111.655 . 1 862 1847 84 ILE CA C 65.215 . 1 863 1847 84 ILE CB C 37.8338 . 1 864 1847 84 ILE CD1 C 14.6646 . 1 865 1847 84 ILE CG1 C 29.1778 . 1 866 1847 84 ILE CG2 C 18.8756 . 1 867 1847 84 ILE H H 8.677 . 1 868 1847 84 ILE HA H 3.739 . 1 869 1847 84 ILE HB H 2.011 . 1 870 1847 84 ILE HD1 H 0.895 . 1 871 1847 84 ILE HG12 H 1.129 . 2 872 1847 84 ILE HG13 H 1.949 . 2 873 1847 84 ILE HG2 H 0.981 . 1 874 1847 84 ILE N N 121.605 . 1 875 1848 85 LYS CA C 61.238 . 1 876 1848 85 LYS CB C 32.4538 . 1 877 1848 85 LYS CD C 30.3478 . 1 878 1848 85 LYS CE C 42.2788 . 1 879 1848 85 LYS CG C 26.8388 . 1 880 1848 85 LYS H H 8.936 . 1 881 1848 85 LYS HA H 3.868 . 1 882 1848 85 LYS HB2 H 1.778 . 2 883 1848 85 LYS HB3 H 2.043 . 2 884 1848 85 LYS HD2 H 1.692 . 2 885 1848 85 LYS HD3 H 1.692 . 2 886 1848 85 LYS HE2 H 3.193 . 2 887 1848 85 LYS HE3 H 3.379 . 2 888 1848 85 LYS HG2 H 1.399 . 2 889 1848 85 LYS HG3 H 2.05 . 2 890 1848 85 LYS N N 119.889 . 1 891 1849 86 HIS CA C 59.132 . 1 892 1849 86 HIS CB C 30.1228 . 1 893 1849 86 HIS CD2 C 119.0224 . . 894 1849 86 HIS CE1 C 137.9724 . 1 895 1849 86 HIS H H 7.978 . 1 896 1849 86 HIS HA H 4.41 . 1 897 1849 86 HIS HB2 H 3.312 . 2 898 1849 86 HIS HB3 H 3.312 . 2 899 1849 86 HIS HD2 H 7.068 . 1 900 1849 86 HIS HE1 H 7.917 . 1 901 1849 86 HIS N N 116.97 . 1 902 1850 87 LYS CA C 58.431 . 1 903 1850 87 LYS CB C 32.2198 . 1 904 1850 87 LYS CD C 28.9438 . 1 905 1850 87 LYS CE C 41.8118 . 1 906 1850 87 LYS CG C 24.9668 . 1 907 1850 87 LYS H H 7.721 . 1 908 1850 87 LYS HA H 4.121 . 1 909 1850 87 LYS HB2 H 2.014 . 2 910 1850 87 LYS HB3 H 2.044 . 2 911 1850 87 LYS HD2 H 1.719 . 2 912 1850 87 LYS HD3 H 1.719 . 2 913 1850 87 LYS HE2 H 3.017 . 2 914 1850 87 LYS HE3 H 3.017 . 2 915 1850 87 LYS HG2 H 1.512 . 2 916 1850 87 LYS HG3 H 1.63 . 2 917 1850 87 LYS N N 119.718 . 1 918 1851 88 LEU CA C 57.027 . 1 919 1851 88 LEU CB C 41.8118 . 1 920 1851 88 LEU CD1 C 22.6186 . 2 921 1851 88 LEU CD2 C 25.9028 . 2 922 1851 88 LEU CG C 26.6048 . 1 923 1851 88 LEU H H 8.456 . 1 924 1851 88 LEU HA H 4.117 . 1 925 1851 88 LEU HB2 H 1.522 . 2 926 1851 88 LEU HB3 H 1.898 . 2 927 1851 88 LEU HD1 H 0.85 . 2 928 1851 88 LEU HD2 H 0.834 . 2 929 1851 88 LEU HG H 1.881 . 1 930 1851 88 LEU N N 119.203 . 1 931 1852 89 ARG CA C 57.729 . 1 932 1852 89 ARG CB C 30.1228 . 1 933 1852 89 ARG CD C 43.4578 . 1 934 1852 89 ARG CG C 27.5498 . 1 935 1852 89 ARG H H 7.787 . 1 936 1852 89 ARG HA H 4.223 . 1 937 1852 89 ARG HB2 H 1.929 . 2 938 1852 89 ARG HB3 H 1.974 . 2 939 1852 89 ARG HD2 H 3.243 . 2 940 1852 89 ARG HD3 H 3.243 . 2 941 1852 89 ARG HG2 H 1.717 . 2 942 1852 89 ARG HG3 H 1.802 . 2 943 1852 89 ARG N N 117.831 . 1 944 1853 90 GLN CA C 56.325 . 1 945 1853 90 GLN CB C 29.1868 . 1 946 1853 90 GLN CG C 34.0998 . 1 947 1853 90 GLN H H 7.971 . 1 948 1853 90 GLN HA H 4.311 . 1 949 1853 90 GLN HB2 H 2.085 . 2 950 1853 90 GLN HB3 H 2.183 . 2 951 1853 90 GLN HE21 H 6.778 . 2 952 1853 90 GLN HE22 H 7.262 . 2 953 1853 90 GLN HG2 H 2.429 . 2 954 1853 90 GLN HG3 H 2.429 . 2 955 1853 90 GLN N N 119.032 . 1 956 1853 90 GLN NE2 N 111.655 . 1 957 1854 91 GLN CA C 56.325 . 1 958 1854 91 GLN CB C 29.1868 . 1 959 1854 91 GLN CG C 34.0998 . 1 960 1854 91 GLN H H 8.194 . 1 961 1854 91 GLN HA H 4.337 . 1 962 1854 91 GLN HB2 H 2.073 . 2 963 1854 91 GLN HB3 H 2.172 . 2 964 1854 91 GLN HE21 H 6.784 . 2 965 1854 91 GLN HE22 H 7.447 . 2 966 1854 91 GLN HG2 H 2.429 . 2 967 1854 91 GLN HG3 H 2.429 . 2 968 1854 91 GLN N N 120.404 . 1 969 1854 91 GLN NE2 N 111.655 . 1 970 1855 92 GLN CA C 56.559 . 1 971 1855 92 GLN CB C 28.9528 . 1 972 1855 92 GLN CG C 34.0998 . 1 973 1855 92 GLN H H 7.73 . 1 974 1855 92 GLN HA H 4.256 . 1 975 1855 92 GLN HB2 H 2.099 . 2 976 1855 92 GLN HB3 H 2.185 . 2 977 1855 92 GLN HG2 H 2.375 . 2 978 1855 92 GLN HG3 H 2.375 . 2 979 1855 92 GLN N N 118.002 . 1 980 2001 93 GLY CA C 45.5638 . 1 981 2001 93 GLY H H 8.367 . 1 982 2001 93 GLY HA2 H 4.027 . 2 983 2001 93 GLY HA3 H 4.055 . 2 984 2001 93 GLY N N 109.596 . 1 985 2003 95 GLY H H 8.42 . 1 986 2003 95 GLY N N 110.625 . 1 987 2005 97 GLY CA C 44.1598 . 1 988 2005 97 GLY H H 8.483 . 1 989 2005 97 GLY HA2 H 3.793 . 2 990 2005 97 GLY HA3 H 4.087 . 2 991 2005 97 GLY N N 110.797 . 1 992 3037 98 SER CA C 63.109 . 1 993 3037 98 SER HA H 4.63 . 1 994 3037 98 SER HB2 H 3.92 . 2 995 3037 98 SER HB3 H 3.92 . 2 996 3038 99 GLN CA C 56.091 . 1 997 3038 99 GLN CB C 29.4208 . 1 998 3038 99 GLN CG C 33.8658 . 1 999 3038 99 GLN H H 8.39 . 1 1000 3038 99 GLN HA H 4.355 . 1 1001 3038 99 GLN HB2 H 2.035 . 2 1002 3038 99 GLN HB3 H 2.171 . 2 1003 3038 99 GLN HE21 H 6.781 . 2 1004 3038 99 GLN HE22 H 7.514 . 2 1005 3038 99 GLN HG2 H 2.401 . 2 1006 3038 99 GLN HG3 H 2.401 . 2 1007 3038 99 GLN N N 122.12 . 1 1008 3038 99 GLN NE2 N 112.169 . 1 1009 3039 100 ALA CA C 52.8158 . 1 1010 3039 100 ALA CB C 19.1276 . 1 1011 3039 100 ALA H H 8.215 . 1 1012 3039 100 ALA HA H 4.309 . 1 1013 3039 100 ALA HB H 1.419 . 1 1014 3039 100 ALA N N 124.178 . 1 1015 3040 101 MET CA C 55.857 . 1 1016 3040 101 MET CB C 32.9218 . 1 1017 3040 101 MET CE C 17.0036 . 1 1018 3040 101 MET CG C 32.2198 . 1 1019 3040 101 MET H H 8.202 . 1 1020 3040 101 MET HA H 4.465 . 1 1021 3040 101 MET HB2 H 2.046 . 2 1022 3040 101 MET HB3 H 2.129 . 2 1023 3040 101 MET HE H 2.077 . 1 1024 3040 101 MET HG2 H 2.547 . 2 1025 3040 101 MET HG3 H 2.611 . 2 1026 3040 101 MET N N 118.174 . 1 1027 3041 102 ASP CA C 54.921 . 1 1028 3041 102 ASP CB C 41.1188 . 1 1029 3041 102 ASP H H 8.167 . 1 1030 3041 102 ASP HA H 4.555 . 1 1031 3041 102 ASP HB2 H 2.701 . 2 1032 3041 102 ASP HB3 H 2.701 . 2 1033 3041 102 ASP N N 120.747 . 1 1034 3042 103 ASP CA C 54.4538 . 1 1035 3042 103 ASP CB C 40.8848 . 1 1036 3042 103 ASP H H 8.236 . 1 1037 3042 103 ASP HA H 4.542 . 1 1038 3042 103 ASP HB2 H 2.693 . 2 1039 3042 103 ASP HB3 H 2.739 . 2 1040 3042 103 ASP N N 119.889 . 1 1041 3043 104 LEU CA C 55.857 . 1 1042 3043 104 LEU CB C 42.7468 . 1 1043 3043 104 LEU CD1 C 23.5546 . 2 1044 3043 104 LEU CD2 C 25.4348 . 2 1045 3043 104 LEU CG C 27.3068 . 1 1046 3043 104 LEU H H 8.026 . 1 1047 3043 104 LEU HA H 4.264 . 1 1048 3043 104 LEU HB2 H 1.601 . 2 1049 3043 104 LEU HB3 H 1.631 . 2 1050 3043 104 LEU HD1 H 0.832 . 2 1051 3043 104 LEU HD2 H 0.872 . 2 1052 3043 104 LEU HG H 1.603 . 1 1053 3043 104 LEU N N 121.262 . 1 1054 3044 105 MET CA C 55.623 . 1 1055 3044 105 MET CB C 32.9218 . 1 1056 3044 105 MET CE C 17.0036 . 1 1057 3044 105 MET CG C 32.4538 . 1 1058 3044 105 MET H H 8.048 . 1 1059 3044 105 MET HA H 4.417 . 1 1060 3044 105 MET HB2 H 2.046 . 2 1061 3044 105 MET HB3 H 2.13 . 2 1062 3044 105 MET HE H 2.077 . 1 1063 3044 105 MET HG2 H 2.515 . 2 1064 3044 105 MET HG3 H 2.695 . 2 1065 3044 105 MET N N 118.174 . 1 1066 3045 106 LEU CA C 54.4448 . 1 1067 3045 106 LEU CB C 42.2788 . 1 1068 3045 106 LEU CD1 C 24.0226 . 2 1069 3045 106 LEU CD2 C 25.2008 . 2 1070 3045 106 LEU CG C 27.0728 . 1 1071 3045 106 LEU HA H 4.434 . 1 1072 3045 106 LEU HB2 H 1.56 . 2 1073 3045 106 LEU HB3 H 1.697 . 2 1074 3045 106 LEU HD1 H 0.85 . 2 1075 3045 106 LEU HD2 H 0.899 . 2 1076 3045 106 LEU HG H 1.69 . 1 1077 3046 107 SER CA C 55.857 . 1 1078 3046 107 SER CB C 63.811 . 1 1079 3046 107 SER HA H 4.795 . 1 1080 3046 107 SER HB2 H 3.886 . 2 1081 3046 107 SER HB3 H 4.031 . 2 1082 3047 108 PRO CA C 64.045 . 1 1083 3047 108 PRO CB C 31.7518 . 1 1084 3047 108 PRO CD C 50.4678 . 1 1085 3047 108 PRO CG C 27.0728 . 1 1086 3047 108 PRO HA H 4.44 . 1 1087 3047 108 PRO HB2 H 2.026 . 2 1088 3047 108 PRO HB3 H 2.211 . 2 1089 3047 108 PRO HD2 H 3.81 . 2 1090 3047 108 PRO HD3 H 3.88 . 2 1091 3047 108 PRO HG2 H 1.974 . 2 1092 3047 108 PRO HG3 H 1.974 . 2 1093 3048 109 ASP CA C 55.623 . 1 1094 3048 109 ASP CB C 41.1188 . 1 1095 3048 109 ASP H H 8.106 . 1 1096 3048 109 ASP HA H 4.428 . 1 1097 3048 109 ASP HB2 H 2.51 . 2 1098 3048 109 ASP HB3 H 2.653 . 2 1099 3048 109 ASP N N 118.174 . 1 1100 3049 110 ASP CA C 54.6878 . 1 1101 3049 110 ASP CB C 41.1188 . 1 1102 3049 110 ASP H H 8.01 . 1 1103 3049 110 ASP HA H 4.549 . 1 1104 3049 110 ASP HB2 H 2.701 . 2 1105 3049 110 ASP HB3 H 2.701 . 2 1106 3049 110 ASP N N 119.38 . 1 1107 3050 111 ILE CB C 37.8338 . 1 1108 3050 111 ILE CD1 C 13.7286 . 1 1109 3050 111 ILE CG1 C 28.0088 . 1 1110 3050 111 ILE CG2 C 17.4716 . 1 1111 3050 111 ILE H H 7.457 . 1 1112 3050 111 ILE HB H 1.504 . 1 1113 3050 111 ILE HD1 H 0.558 . 1 1114 3050 111 ILE HG12 H 0.808 . 2 1115 3050 111 ILE HG13 H 1.082 . 2 1116 3050 111 ILE HG2 H 0.538 . 1 1117 3050 111 ILE N N 121.09 . 1 1118 3051 112 GLU CA C 58.664 . 1 1119 3051 112 GLU CB C 29.4208 . 1 1120 3051 112 GLU CG C 36.9078 . 1 1121 3051 112 GLU H H 8.086 . 1 1122 3051 112 GLU HA H 4.005 . 1 1123 3051 112 GLU HB2 H 1.998 . 2 1124 3051 112 GLU HB3 H 2.065 . 2 1125 3051 112 GLU HG2 H 2.224 . 2 1126 3051 112 GLU HG3 H 2.326 . 2 1127 3051 112 GLU N N 119.375 . 1 1128 3052 113 GLN CA C 56.091 . 1 1129 3052 113 GLN CB C 28.4858 . 1 1130 3052 113 GLN CG C 33.6318 . 1 1131 3052 113 GLN H H 7.695 . 1 1132 3052 113 GLN HA H 4.274 . 1 1133 3052 113 GLN HB2 H 2.018 . 2 1134 3052 113 GLN HB3 H 2.018 . 2 1135 3052 113 GLN HE21 H 6.701 . 2 1136 3052 113 GLN HE22 H 7.475 . 2 1137 3052 113 GLN HG2 H 2.283 . 2 1138 3052 113 GLN HG3 H 2.314 . 2 1139 3052 113 GLN N N 115.6 . 1 1140 3052 113 GLN NE2 N 111.826 . 1 1141 3053 114 TRP CA C 57.261 . 1 1142 3053 114 TRP CB C 29.1778 . 1 1143 3053 114 TRP CD1 C 125.5914 . . 1144 3053 114 TRP CE3 C 120.9124 . 1 1145 3053 114 TRP CH2 C 123.9534 . 1 1146 3053 114 TRP CZ2 C 114.3532 . 1 1147 3053 114 TRP CZ3 C 121.3804 . 1 1148 3053 114 TRP H H 7.666 . 1 1149 3053 114 TRP HA H 4.47 . 1 1150 3053 114 TRP HB2 H 3.02 . 2 1151 3053 114 TRP HB3 H 3.02 . 2 1152 3053 114 TRP HD1 H 6.961 . 1 1153 3053 114 TRP HE1 H 9.934 . 1 1154 3053 114 TRP HE3 H 7.328 . 1 1155 3053 114 TRP HH2 H 7.052 . 1 1156 3053 114 TRP HZ2 H 7.372 . 1 1157 3053 114 TRP HZ3 H 7.038 . 1 1158 3053 114 TRP N N 120.404 . 1 1159 3053 114 TRP NE1 N 127.781 . 1 1160 3054 115 PHE CA C 57.729 . 1 1161 3054 115 PHE CB C 37.8338 . 1 1162 3054 115 PHE CD1 C 132.3754 . 3 1163 3054 115 PHE CE1 C 131.2064 . 3 1164 3054 115 PHE CZ C 128.8664 . 1 1165 3054 115 PHE HA H 4.56 . 1 1166 3054 115 PHE HB2 H 3.133 . 2 1167 3054 115 PHE HB3 H 3.261 . 2 1168 3054 115 PHE HD1 H 7.276 . 3 1169 3054 115 PHE HD2 H 7.276 . 3 1170 3054 115 PHE HE1 H 7.372 . 3 1171 3054 115 PHE HE2 H 7.372 . 3 1172 3054 115 PHE HZ H 7.134 . 1 1173 3055 116 THR CA C 62.876 . 1 1174 3055 116 THR CB C 69.66 . 1 1175 3055 116 THR CG2 C 22.1506 . 1 1176 3055 116 THR H H 7.762 . 1 1177 3055 116 THR HA H 4.244 . 1 1178 3055 116 THR HB H 4.283 . 1 1179 3055 116 THR HG2 H 1.234 . 1 1180 3055 116 THR N N 112.341 . 1 1181 3056 117 GLU CA C 55.857 . 1 1182 3056 117 GLU CB C 30.5908 . 1 1183 3056 117 GLU CG C 36.2058 . 1 1184 3056 117 GLU H H 8.152 . 1 1185 3056 117 GLU HA H 4.336 . 1 1186 3056 117 GLU HB2 H 1.916 . 2 1187 3056 117 GLU HB3 H 2.002 . 2 1188 3056 117 GLU HG2 H 2.233 . 2 1189 3056 117 GLU HG3 H 2.267 . 2 1190 3056 117 GLU N N 121.948 . 1 1191 3057 118 ASP CA C 52.1138 . 1 1192 3057 118 ASP CB C 41.5868 . 1 1193 3057 118 ASP H H 8.396 . 1 1194 3057 118 ASP HA H 4.779 . 1 1195 3057 118 ASP HB2 H 2.542 . 2 1196 3057 118 ASP HB3 H 2.733 . 2 1197 3057 118 ASP N N 122.977 . 1 1198 3058 119 PRO CA C 63.343 . 1 1199 3058 119 PRO CB C 32.2198 . 1 1200 3058 119 PRO CD C 50.4678 . 1 1201 3058 119 PRO CG C 26.8388 . 1 1202 3058 119 PRO HA H 4.419 . 1 1203 3058 119 PRO HB2 H 1.903 . 2 1204 3058 119 PRO HB3 H 2.096 . 2 1205 3058 119 PRO HD2 H 3.826 . 2 1206 3058 119 PRO HD3 H 3.826 . 2 1207 3058 119 PRO HG2 H 1.866 . 2 1208 3058 119 PRO HG3 H 1.976 . 2 1209 3059 120 GLY CA C 44.3938 . 1 1210 3059 120 GLY H H 8.249 . 1 1211 3059 120 GLY HA2 H 4.048 . 2 1212 3059 120 GLY HA3 H 4.178 . 2 1213 3059 120 GLY N N 108.395 . 1 1214 3060 121 PRO CA C 63.343 . 1 1215 3060 121 PRO CB C 32.2198 . 1 1216 3060 121 PRO CD C 49.7658 . 1 1217 3060 121 PRO CG C 26.8388 . 1 1218 3060 121 PRO HA H 4.511 . 1 1219 3060 121 PRO HB2 H 2.062 . 2 1220 3060 121 PRO HB3 H 2.238 . 2 1221 3060 121 PRO HD2 H 3.61 . 2 1222 3060 121 PRO HD3 H 3.703 . 2 1223 3060 121 PRO HG2 H 2.029 . 2 1224 3060 121 PRO HG3 H 2.029 . 2 1225 3061 122 ASP CA C 55.857 . 1 1226 3061 122 ASP CB C 42.2878 . 1 1227 3061 122 ASP H H 7.912 . 1 1228 3061 122 ASP HA H 4.401 . 1 1229 3061 122 ASP HB2 H 2.605 . 2 1230 3061 122 ASP HB3 H 2.717 . 2 1231 3061 122 ASP N N 125.379 . 1 stop_ save_