data_16045 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal EF-Hand domain of human cardiac sodium channel NaV1.5 ; _BMRB_accession_number 16045 _BMRB_flat_file_name bmr16045.str _Entry_type original _Submission_date 2008-11-28 _Accession_date 2008-11-28 _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 Chagot Benjamin . . 2 Potet Franck . . 3 Balser Jeffrey R. . 4 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 569 "13C chemical shifts" 381 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-03-04 update BMRB 'complete entry citation' 2009-02-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of the C-terminal EF-Hand domain of human cardiac sodium channel NaV1.5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19074138 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chagot Benjamin . . 2 Potet Franck . . 3 Balser Jeffrey R. . 4 Chazin Walter J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 284 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6436 _Page_last 6445 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hH1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hH1 $hH1 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_hH1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hH1 _Molecular_mass 10994.295 _Mol_thiol_state 'all free' loop_ _Biological_function channel stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; GPGSENFSVATEESTEPLSE DDFDMFYEIWEKFDPEATQF IEYSVLSDFADALSEPLRIA KPNQISLINMDLPMVSGDRI HCMDILFAFTKRVLGES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 GLY 4 -1 SER 5 1773 GLU 6 1774 ASN 7 1775 PHE 8 1776 SER 9 1777 VAL 10 1778 ALA 11 1779 THR 12 1780 GLU 13 1781 GLU 14 1782 SER 15 1783 THR 16 1784 GLU 17 1785 PRO 18 1786 LEU 19 1787 SER 20 1788 GLU 21 1789 ASP 22 1790 ASP 23 1791 PHE 24 1792 ASP 25 1793 MET 26 1794 PHE 27 1795 TYR 28 1796 GLU 29 1797 ILE 30 1798 TRP 31 1799 GLU 32 1800 LYS 33 1801 PHE 34 1802 ASP 35 1803 PRO 36 1804 GLU 37 1805 ALA 38 1806 THR 39 1807 GLN 40 1808 PHE 41 1809 ILE 42 1810 GLU 43 1811 TYR 44 1812 SER 45 1813 VAL 46 1814 LEU 47 1815 SER 48 1816 ASP 49 1817 PHE 50 1818 ALA 51 1819 ASP 52 1820 ALA 53 1821 LEU 54 1822 SER 55 1823 GLU 56 1824 PRO 57 1825 LEU 58 1826 ARG 59 1827 ILE 60 1828 ALA 61 1829 LYS 62 1830 PRO 63 1831 ASN 64 1832 GLN 65 1833 ILE 66 1834 SER 67 1835 LEU 68 1836 ILE 69 1837 ASN 70 1838 MET 71 1839 ASP 72 1840 LEU 73 1841 PRO 74 1842 MET 75 1843 VAL 76 1844 SER 77 1845 GLY 78 1846 ASP 79 1847 ARG 80 1848 ILE 81 1849 HIS 82 1850 CYS 83 1851 MET 84 1852 ASP 85 1853 ILE 86 1854 LEU 87 1855 PHE 88 1856 ALA 89 1857 PHE 90 1858 THR 91 1859 LYS 92 1860 ARG 93 1861 VAL 94 1862 LEU 95 1863 GLY 96 1864 GLU 97 1865 SER 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 BMRB 16031 Nav1.5 97.94 129 98.95 98.95 4.24e-61 PDB 2KBI "Solution Nmr Structure Of The C-Terminal Ef-Hand Domain Of Human Cardiac Sodium Channel Nav1.5" 100.00 97 100.00 100.00 1.91e-63 PDB 4DCK "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" 95.88 168 100.00 100.00 2.54e-60 PDB 4JQ0 "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" 97.94 191 98.95 98.95 4.82e-61 DBJ BAD12084 "TTX-resistant sodium channel [Homo sapiens]" 95.88 2016 100.00 100.00 1.26e-53 DBJ BAD12085 "TTX-resistant sodium channel splicing variant [Homo sapiens]" 95.88 1962 100.00 100.00 1.11e-53 DBJ BAD92103 "voltage-gated sodium channel type V alpha isoform b variant [Homo sapiens]" 95.88 1576 100.00 100.00 1.26e-53 DBJ BAE27800 "unnamed protein product [Mus musculus]" 95.88 2020 97.85 97.85 3.66e-52 DBJ BAE27966 "unnamed protein product [Mus musculus]" 95.88 2020 97.85 97.85 3.66e-52 EMBL CAB70096 "voltage-gated sodium channel [Mus musculus]" 95.88 2019 97.85 97.85 3.99e-52 EMBL CAD88248 "voltage-gated sodium channel alpha subunit [Canis lupus familiaris]" 95.88 2013 98.92 98.92 4.43e-53 GB AAA42114 "sodium channel alpha-subunit [Rattus norvegicus]" 95.88 2019 97.85 97.85 3.02e-52 GB AAA58644 "sodium channel alpha subunit [Homo sapiens]" 95.88 2016 100.00 100.00 1.35e-53 GB AAI40814 "SCN5A protein [Homo sapiens]" 95.88 1983 100.00 100.00 1.43e-53 GB AAI44622 "SCN5A protein [Homo sapiens]" 95.88 1983 100.00 100.00 1.43e-53 GB AAI72643 "Sodium channel, voltage-gated, type V, alpha [synthetic construct]" 95.88 2020 97.85 97.85 3.66e-52 REF NP_000326 "sodium channel protein type 5 subunit alpha isoform b [Homo sapiens]" 95.88 2015 100.00 100.00 1.36e-53 REF NP_001002994 "sodium channel protein type 5 subunit alpha [Canis lupus familiaris]" 95.88 2013 98.92 98.92 4.43e-53 REF NP_001092874 "sodium channel protein type 5 subunit alpha isoform c [Homo sapiens]" 95.88 2016 100.00 100.00 1.42e-53 REF NP_001092875 "sodium channel protein type 5 subunit alpha isoform d [Homo sapiens]" 95.88 1998 100.00 100.00 1.33e-53 REF NP_001153632 "sodium channel protein type 5 subunit alpha isoform e [Homo sapiens]" 95.88 1983 100.00 100.00 1.43e-53 SP P15389 "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=Sodium channel protein cardiac muscle subunit alpha; A" 95.88 2019 97.85 97.85 3.02e-52 SP Q14524 "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=HH1; AltName: Full=Sodium channel protein cardiac musc" 95.88 2016 100.00 100.00 1.36e-53 SP Q9JJV9 "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=Sodium channel protein cardiac muscle subunit alpha; A" 95.88 2019 97.85 97.85 3.99e-52 TPG DAA34921 "TPA_inf: voltage-dependent sodium channel SCN5A [Monodelphis domestica]" 95.88 1840 97.85 98.92 1.25e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hH1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $hH1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pBG100 'pET27 derivative' 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 $hH1 1.2 mM '[U-100% 13C; U-100% 15N]' H2O 100 % 'natural abundance' phosphate 100 mM 'natural abundance' NaCl 200 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' NaN3 0.01 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hH1 1.2 mM 'natural abundance' H2O 100 % 'natural abundance' phosphate 100 mM 'natural abundance' NaCl 200 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' NaN3 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 100 mM phosphate at pH 6.5, 200 mM NaCl, 5 mM beta-mercaptoethanol and 0.01% NaN3. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 'methyl protons' ppm 4.7 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '3D HCCH-COSY' 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 hH1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -3 2 PRO HA H 4.358 0.004 1 2 -3 2 PRO HB2 H 2.21 0.008 2 3 -3 2 PRO HB3 H 1.893 0.004 2 4 -3 2 PRO HD2 H 3.502 0.007 2 5 -3 2 PRO HD3 H 3.473 0.003 2 6 -3 2 PRO HG2 H 1.929 0.009 2 7 -3 2 PRO HG3 H 1.929 0.009 2 8 -3 2 PRO C C 175.166 0.3 1 9 -3 2 PRO CA C 61.214 0.067 1 10 -3 2 PRO CB C 29.738 0.052 1 11 -3 2 PRO CD C 47.357 0.059 1 12 -3 2 PRO CG C 24.707 0.119 1 13 -2 3 GLY H H 8.599 0.002 1 14 -2 3 GLY HA2 H 3.921 0.007 2 15 -2 3 GLY HA3 H 3.921 0.007 2 16 -2 3 GLY C C 172.127 0.3 1 17 -2 3 GLY CA C 43.001 0.042 1 18 -2 3 GLY N N 110.027 0.049 1 19 -1 4 SER H H 8.09 0.003 1 20 -1 4 SER HA H 4.34 0.005 1 21 -1 4 SER HB2 H 3.788 0.011 2 22 -1 4 SER HB3 H 3.788 0.011 2 23 -1 4 SER C C 172.434 0.3 1 24 -1 4 SER CA C 56.126 0.064 1 25 -1 4 SER CB C 61.367 0.078 1 26 -1 4 SER N N 115.232 0.03 1 27 1773 5 GLU H H 8.497 0.002 1 28 1773 5 GLU HA H 4.146 0.006 1 29 1773 5 GLU HB2 H 1.853 0.001 2 30 1773 5 GLU HB3 H 1.777 0.004 2 31 1773 5 GLU HG2 H 2.119 0.004 2 32 1773 5 GLU HG3 H 2.119 0.004 2 33 1773 5 GLU C C 173.783 0.3 1 34 1773 5 GLU CA C 54.487 0.046 1 35 1773 5 GLU CB C 27.511 0.251 1 36 1773 5 GLU CG C 33.654 0.111 1 37 1773 5 GLU N N 122.118 0.02 1 38 1774 6 ASN H H 8.207 0.002 1 39 1774 6 ASN HA H 4.566 0.004 1 40 1774 6 ASN HB2 H 2.658 0.014 2 41 1774 6 ASN HB3 H 2.565 0.01 2 42 1774 6 ASN HD21 H 6.799 0.02 2 43 1774 6 ASN HD22 H 7.442 0.02 2 44 1774 6 ASN C C 172.413 0.3 1 45 1774 6 ASN CA C 50.756 0.062 1 46 1774 6 ASN CB C 36.488 0.056 1 47 1774 6 ASN N N 118.604 0.014 1 48 1774 6 ASN ND2 N 112.642 0.3 1 49 1775 7 PHE H H 8.01 0.003 1 50 1775 7 PHE HA H 4.553 0.005 1 51 1775 7 PHE HB2 H 3.072 0.006 2 52 1775 7 PHE HB3 H 2.944 0.005 2 53 1775 7 PHE HD1 H 7.138 0.02 3 54 1775 7 PHE HD2 H 7.138 0.02 3 55 1775 7 PHE HE1 H 7.247 0.02 3 56 1775 7 PHE HE2 H 7.247 0.02 3 57 1775 7 PHE C C 173.245 0.02 1 58 1775 7 PHE CA C 55.387 0.077 1 59 1775 7 PHE CB C 37.096 0.068 1 60 1775 7 PHE N N 120.359 0.01 1 61 1776 8 SER H H 8.094 0.002 1 62 1776 8 SER HA H 4.361 0.007 1 63 1776 8 SER HB2 H 3.71 0.004 2 64 1776 8 SER HB3 H 3.71 0.004 2 65 1776 8 SER C C 171.752 0.3 1 66 1776 8 SER CA C 55.72 0.046 1 67 1776 8 SER CB C 61.535 0.079 1 68 1776 8 SER N N 117.283 0.071 1 69 1777 9 VAL H H 7.996 0.003 1 70 1777 9 VAL HA H 4.047 0.006 1 71 1777 9 VAL HB H 2.004 0.004 1 72 1777 9 VAL HG1 H 0.849 0.004 2 73 1777 9 VAL HG2 H 0.852 0.003 2 74 1777 9 VAL C C 173.442 0.3 1 75 1777 9 VAL CA C 59.653 0.049 1 76 1777 9 VAL CB C 30.427 0.062 1 77 1777 9 VAL CG1 C 18.443 0.18 2 78 1777 9 VAL CG2 C 18.285 0.3 2 79 1777 9 VAL N N 121.165 0.013 1 80 1778 10 ALA H H 8.282 0.002 1 81 1778 10 ALA HA H 4.315 0.01 1 82 1778 10 ALA HB H 1.308 0.003 1 83 1778 10 ALA C C 175.515 0.3 1 84 1778 10 ALA CA C 50.149 0.102 1 85 1778 10 ALA CB C 16.859 0.059 1 86 1778 10 ALA N N 127.346 0.017 1 87 1779 11 THR H H 8.041 0.003 1 88 1779 11 THR HA H 4.235 0.004 1 89 1779 11 THR HB H 4.144 0.003 1 90 1779 11 THR HG2 H 1.113 0.007 1 91 1779 11 THR C C 172.318 0.3 1 92 1779 11 THR CA C 59.387 0.065 1 93 1779 11 THR CB C 67.468 0.049 1 94 1779 11 THR CG2 C 19.172 0.043 1 95 1779 11 THR N N 113.336 0.017 1 96 1780 12 GLU H H 8.353 0.002 1 97 1780 12 GLU HA H 4.245 0.003 1 98 1780 12 GLU HB2 H 1.99 0.003 2 99 1780 12 GLU HB3 H 1.867 0.003 2 100 1780 12 GLU HG2 H 2.188 0.02 2 101 1780 12 GLU HG3 H 2.188 0.02 2 102 1780 12 GLU C C 174.071 0.3 1 103 1780 12 GLU CA C 54.261 0.043 1 104 1780 12 GLU CB C 27.934 0.07 1 105 1780 12 GLU CG C 33.694 0.3 1 106 1780 12 GLU N N 122.674 0.066 1 107 1781 13 GLU H H 8.343 0.002 1 108 1781 13 GLU HA H 4.234 0.006 1 109 1781 13 GLU HB2 H 1.982 0.005 2 110 1781 13 GLU HB3 H 1.854 0.006 2 111 1781 13 GLU HG2 H 2.169 0.003 2 112 1781 13 GLU HG3 H 2.169 0.003 2 113 1781 13 GLU C C 174.095 0.3 1 114 1781 13 GLU CA C 54.153 0.042 1 115 1781 13 GLU CB C 27.988 0.073 1 116 1781 13 GLU CG C 33.791 0.055 1 117 1781 13 GLU N N 121.574 0.025 1 118 1782 14 SER H H 8.304 0.002 1 119 1782 14 SER HA H 4.451 0.006 1 120 1782 14 SER HB2 H 3.795 0.009 2 121 1782 14 SER HB3 H 3.795 0.009 2 122 1782 14 SER C C 172.341 0.3 1 123 1782 14 SER CA C 55.782 0.041 1 124 1782 14 SER CB C 61.504 0.076 1 125 1782 14 SER N N 116.784 0.044 1 126 1783 15 THR H H 8.174 0.002 1 127 1783 15 THR HA H 4.3 0.009 1 128 1783 15 THR HB H 4.137 0.007 1 129 1783 15 THR HG2 H 1.106 0.005 1 130 1783 15 THR C C 172 0.3 1 131 1783 15 THR CA C 59.23 0.056 1 132 1783 15 THR CB C 67.54 0.072 1 133 1783 15 THR CG2 C 19.236 0.057 1 134 1783 15 THR N N 116.029 0.025 1 135 1784 16 GLU H H 8.307 0.002 1 136 1784 16 GLU HA H 4.537 0.004 1 137 1784 16 GLU HB2 H 2.015 0.005 2 138 1784 16 GLU HB3 H 1.806 0.007 2 139 1784 16 GLU HG2 H 2.25 0.005 2 140 1784 16 GLU HG3 H 2.21 0.006 2 141 1784 16 GLU CA C 51.964 0.052 1 142 1784 16 GLU CB C 27.553 0.101 1 143 1784 16 GLU CG C 33.616 0.3 1 144 1784 16 GLU N N 124.022 0.024 1 145 1785 17 PRO HA H 4.296 0.004 1 146 1785 17 PRO HB2 H 2.177 0.006 2 147 1785 17 PRO HB3 H 1.731 0.004 2 148 1785 17 PRO HD2 H 3.69 0.003 2 149 1785 17 PRO HD3 H 3.69 0.003 2 150 1785 17 PRO HG2 H 1.928 0.003 2 151 1785 17 PRO HG3 H 1.861 0.001 2 152 1785 17 PRO C C 174.135 0.3 1 153 1785 17 PRO CA C 61.298 0.036 1 154 1785 17 PRO CB C 29.886 0.059 1 155 1785 17 PRO CD C 48.169 0.062 1 156 1785 17 PRO CG C 25.005 0.103 1 157 1786 18 LEU H H 7.514 0.004 1 158 1786 18 LEU HA H 4.512 0.005 1 159 1786 18 LEU HB2 H 1.535 0.006 2 160 1786 18 LEU HB3 H 1.183 0.003 2 161 1786 18 LEU HD1 H 0.645 0.001 2 162 1786 18 LEU HD2 H 0.715 0.002 2 163 1786 18 LEU HG H 1.433 0.014 1 164 1786 18 LEU C C 173.833 0.3 1 165 1786 18 LEU CA C 51.47 0.071 1 166 1786 18 LEU CB C 41.958 0.048 1 167 1786 18 LEU CD1 C 21.794 0.021 2 168 1786 18 LEU CD2 C 23.898 0.108 2 169 1786 18 LEU CG C 24.739 0.3 1 170 1786 18 LEU N N 117.505 0.016 1 171 1787 19 SER H H 9.465 0.005 1 172 1787 19 SER HA H 4.68 0.004 1 173 1787 19 SER HB2 H 4.145 0.012 2 174 1787 19 SER HB3 H 3.855 0.011 2 175 1787 19 SER C C 172.862 0.3 1 176 1787 19 SER CA C 54.325 0.076 1 177 1787 19 SER CB C 64.207 0.079 1 178 1787 19 SER N N 119.433 0.023 1 179 1788 20 GLU H H 8.955 0.002 1 180 1788 20 GLU HA H 4.154 0.008 1 181 1788 20 GLU HB2 H 2.076 0.002 2 182 1788 20 GLU HB3 H 2.026 0.001 2 183 1788 20 GLU HG2 H 2.357 0.008 2 184 1788 20 GLU HG3 H 2.357 0.008 2 185 1788 20 GLU C C 175.994 0.3 1 186 1788 20 GLU CA C 57.786 0.09 1 187 1788 20 GLU CB C 27.029 0.06 1 188 1788 20 GLU CG C 34.078 0.08 1 189 1788 20 GLU N N 121.127 0.047 1 190 1789 21 ASP H H 8.088 0.003 1 191 1789 21 ASP HA H 4.364 0.006 1 192 1789 21 ASP HB2 H 2.619 0.007 2 193 1789 21 ASP HB3 H 2.466 0.009 2 194 1789 21 ASP C C 176.384 0.3 1 195 1789 21 ASP CA C 54.687 0.075 1 196 1789 21 ASP CB C 38.154 0.103 1 197 1789 21 ASP N N 116.637 0.046 1 198 1790 22 ASP H H 7.674 0.003 1 199 1790 22 ASP HA H 4.34 0.005 1 200 1790 22 ASP HB2 H 2.611 0.005 2 201 1790 22 ASP HB3 H 2.184 0.007 2 202 1790 22 ASP C C 175.926 0.3 1 203 1790 22 ASP CA C 55.457 0.031 1 204 1790 22 ASP CB C 38.62 0.087 1 205 1790 22 ASP N N 120.096 0.03 1 206 1791 23 PHE H H 7.437 0.004 1 207 1791 23 PHE HA H 3.991 0.005 1 208 1791 23 PHE HB2 H 3.046 0.004 2 209 1791 23 PHE HB3 H 3.046 0.004 2 210 1791 23 PHE HD1 H 7.018 0.02 3 211 1791 23 PHE HD2 H 7.018 0.02 3 212 1791 23 PHE HE1 H 7.059 0.02 3 213 1791 23 PHE HE2 H 7.059 0.02 3 214 1791 23 PHE C C 174.498 0.3 1 215 1791 23 PHE CA C 59.336 0.072 1 216 1791 23 PHE CB C 35.626 0.067 1 217 1791 23 PHE N N 118.516 0.008 1 218 1792 24 ASP H H 8.383 0.003 1 219 1792 24 ASP HA H 4.544 0.003 1 220 1792 24 ASP HB2 H 2.808 0.009 2 221 1792 24 ASP HB3 H 2.723 0.003 2 222 1792 24 ASP C C 177.105 0.3 1 223 1792 24 ASP CA C 55.619 0.039 1 224 1792 24 ASP CB C 37.654 0.043 1 225 1792 24 ASP N N 118.973 0.012 1 226 1793 25 MET H H 7.783 0.004 1 227 1793 25 MET HA H 4.276 0.009 1 228 1793 25 MET HB2 H 2.369 0.004 2 229 1793 25 MET HB3 H 2.239 0.004 2 230 1793 25 MET HE H 2.179 0.02 1 231 1793 25 MET HG2 H 2.814 0.007 2 232 1793 25 MET HG3 H 2.618 0.005 2 233 1793 25 MET C C 175.086 0.3 1 234 1793 25 MET CA C 56.054 0.102 1 235 1793 25 MET CB C 27.087 0.089 1 236 1793 25 MET CE C 14.252 0.3 1 237 1793 25 MET CG C 28.733 0.07 1 238 1793 25 MET N N 120.183 0.016 1 239 1794 26 PHE H H 7.911 0.003 1 240 1794 26 PHE HA H 3.869 0.008 1 241 1794 26 PHE HB2 H 3.361 0.003 2 242 1794 26 PHE HB3 H 2.739 0.003 2 243 1794 26 PHE HD1 H 6.799 0.02 3 244 1794 26 PHE HD2 H 6.799 0.02 3 245 1794 26 PHE HE1 H 6.961 0.02 3 246 1794 26 PHE HE2 H 6.961 0.02 3 247 1794 26 PHE C C 174.944 0.3 1 248 1794 26 PHE CA C 59.501 0.059 1 249 1794 26 PHE CB C 36.221 0.114 1 250 1794 26 PHE N N 121.223 0.179 1 251 1795 27 TYR H H 8.497 0.003 1 252 1795 27 TYR HA H 4.397 0.007 1 253 1795 27 TYR HB2 H 3.288 0.008 2 254 1795 27 TYR HB3 H 3.052 0.006 2 255 1795 27 TYR HD1 H 7.223 0.02 3 256 1795 27 TYR HD2 H 7.223 0.02 3 257 1795 27 TYR HE1 H 6.709 0.02 3 258 1795 27 TYR HE2 H 6.709 0.02 3 259 1795 27 TYR C C 176.172 0.3 1 260 1795 27 TYR CA C 58.631 0.055 1 261 1795 27 TYR CB C 35.076 0.095 1 262 1795 27 TYR N N 117.484 0.014 1 263 1796 28 GLU H H 8.189 0.004 1 264 1796 28 GLU HA H 4.137 0.006 1 265 1796 28 GLU HB2 H 2.242 0.004 2 266 1796 28 GLU HB3 H 2.242 0.004 2 267 1796 28 GLU HG2 H 2.405 0.011 2 268 1796 28 GLU HG3 H 2.148 0.001 2 269 1796 28 GLU C C 176.998 0.3 1 270 1796 28 GLU CA C 57.325 0.042 1 271 1796 28 GLU CB C 27.276 0.069 1 272 1796 28 GLU CG C 33.99 0.3 1 273 1796 28 GLU N N 120.997 0.043 1 274 1797 29 ILE H H 8.154 0.004 1 275 1797 29 ILE HA H 3.846 0.004 1 276 1797 29 ILE HB H 1.974 0.003 1 277 1797 29 ILE HD1 H 0.667 0.002 1 278 1797 29 ILE HG12 H 1.834 0.003 2 279 1797 29 ILE HG13 H 1.214 0.003 2 280 1797 29 ILE HG2 H 0.778 0.001 1 281 1797 29 ILE C C 176.592 0.3 1 282 1797 29 ILE CA C 59.872 0.064 1 283 1797 29 ILE CB C 32.543 0.103 1 284 1797 29 ILE CD1 C 6.72 0.062 1 285 1797 29 ILE CG1 C 25.43 0.124 1 286 1797 29 ILE CG2 C 16.016 0.04 1 287 1797 29 ILE N N 119.554 0.083 1 288 1798 30 TRP H H 9.143 0.002 1 289 1798 30 TRP HA H 3.638 0.004 1 290 1798 30 TRP HB2 H 3.336 0.005 2 291 1798 30 TRP HB3 H 2.975 0.004 2 292 1798 30 TRP HD1 H 7.051 0.02 1 293 1798 30 TRP HE1 H 11.291 0.02 1 294 1798 30 TRP HE3 H 6.582 0.02 1 295 1798 30 TRP HH2 H 6.562 0.02 1 296 1798 30 TRP HZ2 H 6.483 0.02 1 297 1798 30 TRP HZ3 H 5.956 0.02 1 298 1798 30 TRP C C 175.614 0.3 1 299 1798 30 TRP CA C 59.901 0.057 1 300 1798 30 TRP CB C 25.971 0.065 1 301 1798 30 TRP N N 122.286 0.054 1 302 1799 31 GLU H H 7.801 0.004 1 303 1799 31 GLU HA H 3.834 0.004 1 304 1799 31 GLU HB2 H 2.141 0.002 2 305 1799 31 GLU HB3 H 2.053 0.001 2 306 1799 31 GLU HG2 H 2.507 0.007 2 307 1799 31 GLU HG3 H 2.326 0.007 2 308 1799 31 GLU C C 176.071 0.3 1 309 1799 31 GLU CA C 56.902 0.086 1 310 1799 31 GLU CB C 27.282 0.102 1 311 1799 31 GLU CG C 34.089 0.053 1 312 1799 31 GLU N N 114.994 0.019 1 313 1800 32 LYS H H 7.356 0.004 1 314 1800 32 LYS HA H 3.851 0.008 1 315 1800 32 LYS HB2 H 1.976 0.003 2 316 1800 32 LYS HB3 H 1.679 0.008 2 317 1800 32 LYS HD2 H 1.537 0.003 2 318 1800 32 LYS HD3 H 1.537 0.003 2 319 1800 32 LYS HE2 H 2.823 0.007 2 320 1800 32 LYS HE3 H 2.823 0.007 2 321 1800 32 LYS HG2 H 1.536 0.002 2 322 1800 32 LYS HG3 H 1.233 0.004 2 323 1800 32 LYS C C 175.838 0.3 1 324 1800 32 LYS CA C 56.193 0.05 1 325 1800 32 LYS CB C 29.473 0.07 1 326 1800 32 LYS CD C 26.787 0.078 1 327 1800 32 LYS CE C 39.616 0.049 1 328 1800 32 LYS CG C 22.633 0.09 1 329 1800 32 LYS N N 115.761 0.024 1 330 1801 33 PHE H H 7.37 0.004 1 331 1801 33 PHE HA H 4.019 0.006 1 332 1801 33 PHE HB2 H 2.651 0.003 2 333 1801 33 PHE HB3 H 2.175 0.004 2 334 1801 33 PHE HD1 H 7.436 0.02 3 335 1801 33 PHE HD2 H 7.436 0.02 3 336 1801 33 PHE HE1 H 7.194 0.02 3 337 1801 33 PHE HE2 H 7.194 0.02 3 338 1801 33 PHE HZ H 6.971 0.02 1 339 1801 33 PHE C C 171.983 0.3 1 340 1801 33 PHE CA C 56.768 0.044 1 341 1801 33 PHE CB C 37.67 0.053 1 342 1801 33 PHE N N 115.92 0.109 1 343 1802 34 ASP H H 7.69 0.004 1 344 1802 34 ASP HA H 5.025 0.004 1 345 1802 34 ASP HB2 H 2.061 0.005 2 346 1802 34 ASP HB3 H 1.582 0.006 2 347 1802 34 ASP CA C 49.284 0.065 1 348 1802 34 ASP CB C 37.092 0.043 1 349 1802 34 ASP N N 119.339 0.06 1 350 1803 35 PRO HA H 4.48 0.003 1 351 1803 35 PRO HB2 H 2.264 0.002 2 352 1803 35 PRO HB3 H 1.93 0.002 2 353 1803 35 PRO HD2 H 3.053 0.006 2 354 1803 35 PRO HD3 H 3.657 0.005 2 355 1803 35 PRO HG2 H 1.897 0.004 2 356 1803 35 PRO HG3 H 1.897 0.004 2 357 1803 35 PRO C C 176.463 0.3 1 358 1803 35 PRO CA C 62.808 0.063 1 359 1803 35 PRO CB C 29.539 0.043 1 360 1803 35 PRO CD C 48.247 0.033 1 361 1803 35 PRO CG C 24.973 0.078 1 362 1804 36 GLU H H 8.878 0.003 1 363 1804 36 GLU HA H 4.329 0.003 1 364 1804 36 GLU HB2 H 2.229 0.013 2 365 1804 36 GLU HB3 H 1.898 0.007 2 366 1804 36 GLU HG2 H 2.1 0.02 2 367 1804 36 GLU HG3 H 2.205 0.02 2 368 1804 36 GLU C C 173.435 0.3 1 369 1804 36 GLU CA C 53.482 0.077 1 370 1804 36 GLU CB C 26.223 0.142 1 371 1804 36 GLU CG C 34.25 0.3 1 372 1804 36 GLU N N 116.378 0.005 1 373 1805 37 ALA H H 8.25 0.004 1 374 1805 37 ALA HA H 4.226 0.003 1 375 1805 37 ALA HB H 1.374 0.005 1 376 1805 37 ALA C C 175.322 0.3 1 377 1805 37 ALA CA C 51.106 0.075 1 378 1805 37 ALA CB C 13.642 0.048 1 379 1805 37 ALA N N 122.061 0.023 1 380 1806 38 THR H H 9.717 0.004 1 381 1806 38 THR HA H 4.188 0.01 1 382 1806 38 THR HB H 4.395 0.008 1 383 1806 38 THR HG2 H 1.296 0.006 1 384 1806 38 THR C C 174.791 0.3 1 385 1806 38 THR CA C 62.105 0.062 1 386 1806 38 THR CB C 68.802 0.057 1 387 1806 38 THR CG2 C 19.822 0.032 1 388 1806 38 THR N N 113.935 0.056 1 389 1807 39 GLN H H 10.487 0.004 1 390 1807 39 GLN HA H 3.524 0.005 1 391 1807 39 GLN HB2 H 2.284 0.014 2 392 1807 39 GLN HB3 H 1.76 0.004 2 393 1807 39 GLN HE21 H 6.733 0.02 2 394 1807 39 GLN HE22 H 7.245 0.02 2 395 1807 39 GLN HG2 H 2.223 0.011 2 396 1807 39 GLN HG3 H 2.048 0.004 2 397 1807 39 GLN C C 170.623 0.3 1 398 1807 39 GLN CA C 56.404 0.044 1 399 1807 39 GLN CB C 24.219 0.073 1 400 1807 39 GLN CG C 31.98 0.08 1 401 1807 39 GLN N N 113.483 0.035 1 402 1807 39 GLN NE2 N 111.004 0.003 1 403 1808 40 PHE H H 8.405 0.002 1 404 1808 40 PHE HA H 5.536 0.005 1 405 1808 40 PHE HB2 H 2.721 0.002 2 406 1808 40 PHE HB3 H 2.677 0.002 2 407 1808 40 PHE HD1 H 6.969 0.02 3 408 1808 40 PHE HD2 H 6.969 0.02 3 409 1808 40 PHE HE1 H 7.35 0.02 3 410 1808 40 PHE HE2 H 7.35 0.02 3 411 1808 40 PHE HZ H 7.203 0.02 1 412 1808 40 PHE C C 172.617 0.3 1 413 1808 40 PHE CA C 54.489 0.058 1 414 1808 40 PHE CB C 41.831 0.06 1 415 1808 40 PHE N N 117.003 0.061 1 416 1809 41 ILE H H 8.433 0.004 1 417 1809 41 ILE HA H 4.443 0.004 1 418 1809 41 ILE HB H 1.356 0.003 1 419 1809 41 ILE HD1 H -0.096 0.002 1 420 1809 41 ILE HG12 H 1.026 0.018 2 421 1809 41 ILE HG13 H 0.841 0.005 2 422 1809 41 ILE HG2 H 0.13 0.001 1 423 1809 41 ILE C C 172.378 0.3 1 424 1809 41 ILE CA C 56.964 0.054 1 425 1809 41 ILE CB C 39.507 0.039 1 426 1809 41 ILE CD1 C 11.037 0.037 1 427 1809 41 ILE CG1 C 23.104 0.031 1 428 1809 41 ILE CG2 C 14.06 0.06 1 429 1809 41 ILE N N 112.47 0.044 1 430 1810 42 GLU H H 8.299 0.003 1 431 1810 42 GLU HA H 4.56 0.003 1 432 1810 42 GLU HB2 H 2.264 0.005 2 433 1810 42 GLU HB3 H 1.925 0.002 2 434 1810 42 GLU HG2 H 2.328 0.001 2 435 1810 42 GLU HG3 H 2.274 0.002 2 436 1810 42 GLU C C 175.586 0.3 1 437 1810 42 GLU CA C 54.152 0.057 1 438 1810 42 GLU CB C 28.554 0.076 1 439 1810 42 GLU CG C 35.194 0.032 1 440 1810 42 GLU N N 121.928 0.04 1 441 1811 43 TYR H H 9.047 0.002 1 442 1811 43 TYR HA H 3.901 0.008 1 443 1811 43 TYR HB2 H 3.188 0.008 2 444 1811 43 TYR HB3 H 3.055 0.006 2 445 1811 43 TYR HD1 H 6.992 0.02 3 446 1811 43 TYR HD2 H 6.992 0.02 3 447 1811 43 TYR HE1 H 6.665 0.02 3 448 1811 43 TYR HE2 H 6.665 0.02 3 449 1811 43 TYR C C 175.669 0.3 1 450 1811 43 TYR CA C 59.493 0.041 1 451 1811 43 TYR CB C 36.151 0.084 1 452 1811 43 TYR N N 123.217 0.047 1 453 1812 44 SER H H 8.578 0.003 1 454 1812 44 SER HA H 4.031 0.009 1 455 1812 44 SER HB2 H 3.952 0.009 2 456 1812 44 SER HB3 H 3.952 0.009 2 457 1812 44 SER C C 173.491 0.3 1 458 1812 44 SER CA C 58.641 0.037 1 459 1812 44 SER CB C 60.323 0.142 1 460 1812 44 SER N N 110.989 0.034 1 461 1813 45 VAL H H 7.468 0.003 1 462 1813 45 VAL HA H 4.61 0.007 1 463 1813 45 VAL HB H 2.54 0.005 1 464 1813 45 VAL HG1 H 1.072 0.007 2 465 1813 45 VAL HG2 H 1.072 0.006 2 466 1813 45 VAL C C 173.685 0.3 1 467 1813 45 VAL CA C 59.102 0.043 1 468 1813 45 VAL CB C 30.117 0.082 1 469 1813 45 VAL CG1 C 19.018 0.049 2 470 1813 45 VAL CG2 C 19.049 0.027 2 471 1813 45 VAL N N 116.71 0.037 1 472 1814 46 LEU H H 7.66 0.003 1 473 1814 46 LEU HA H 3.821 0.005 1 474 1814 46 LEU HB2 H 1.711 0.008 2 475 1814 46 LEU HB3 H 1.267 0.006 2 476 1814 46 LEU HD1 H 0.959 0.003 1 477 1814 46 LEU HD2 H 0.849 0.002 1 478 1814 46 LEU HG H 1.716 0.001 1 479 1814 46 LEU C C 175.003 0.3 1 480 1814 46 LEU CA C 55.713 0.057 1 481 1814 46 LEU CB C 39.819 0.065 1 482 1814 46 LEU CD1 C 21.543 0.105 2 483 1814 46 LEU CD2 C 24.845 0.048 2 484 1814 46 LEU CG C 24.157 0.02 1 485 1814 46 LEU N N 123.857 0.043 1 486 1815 47 SER H H 8.334 0.002 1 487 1815 47 SER HA H 3.923 0.004 1 488 1815 47 SER HB2 H 3.825 0.005 2 489 1815 47 SER HB3 H 3.825 0.005 2 490 1815 47 SER C C 175.643 0.3 1 491 1815 47 SER CA C 58.896 0.12 1 492 1815 47 SER CB C 60.223 0.092 1 493 1815 47 SER N N 111.449 0.013 1 494 1816 48 ASP H H 7.692 0.003 1 495 1816 48 ASP HA H 4.221 0.005 1 496 1816 48 ASP HB2 H 2.915 0.004 2 497 1816 48 ASP HB3 H 2.77 0.009 2 498 1816 48 ASP C C 175.894 0.3 1 499 1816 48 ASP CA C 55.099 0.05 1 500 1816 48 ASP CB C 37.973 0.05 1 501 1816 48 ASP N N 119.939 0.043 1 502 1817 49 PHE H H 8.068 0.003 1 503 1817 49 PHE HA H 3.037 0.005 1 504 1817 49 PHE HB2 H 2.557 0.004 2 505 1817 49 PHE HB3 H 1.742 0.004 2 506 1817 49 PHE HD1 H 6.431 0.02 3 507 1817 49 PHE HD2 H 6.431 0.02 3 508 1817 49 PHE HE1 H 6.674 0.02 3 509 1817 49 PHE HE2 H 6.674 0.02 3 510 1817 49 PHE HZ H 6.253 0.02 1 511 1817 49 PHE C C 173.09 0.3 1 512 1817 49 PHE CA C 58.787 0.051 1 513 1817 49 PHE CB C 36.344 0.064 1 514 1817 49 PHE N N 122.365 0.041 1 515 1818 50 ALA H H 8.701 0.002 1 516 1818 50 ALA HA H 3.64 0.005 1 517 1818 50 ALA HB H 1.463 0.005 1 518 1818 50 ALA C C 176.644 0.3 1 519 1818 50 ALA CA C 52.262 0.061 1 520 1818 50 ALA CB C 16.62 0.069 1 521 1818 50 ALA N N 117.635 0.038 1 522 1819 51 ASP H H 7.055 0.004 1 523 1819 51 ASP HA H 4.257 0.004 1 524 1819 51 ASP HB2 H 2.597 0.002 2 525 1819 51 ASP HB3 H 2.508 0.002 2 526 1819 51 ASP C C 173.475 0.3 1 527 1819 51 ASP CA C 53.788 0.062 1 528 1819 51 ASP CB C 42.683 0.042 1 529 1819 51 ASP N N 112.995 0.025 1 530 1820 52 ALA H H 7.351 0.004 1 531 1820 52 ALA HA H 4.104 0.008 1 532 1820 52 ALA HB H 1.465 0.005 1 533 1820 52 ALA C C 175.55 0.3 1 534 1820 52 ALA CA C 50.344 0.083 1 535 1820 52 ALA CB C 17.002 0.053 1 536 1820 52 ALA N N 119.881 0.03 1 537 1821 53 LEU H H 6.257 0.005 1 538 1821 53 LEU HA H 3.947 0.004 1 539 1821 53 LEU HB2 H 1.269 0.004 2 540 1821 53 LEU HB3 H 1.269 0.004 2 541 1821 53 LEU HD1 H 0.487 0.003 2 542 1821 53 LEU HD2 H 0.708 0.006 2 543 1821 53 LEU HG H 1.259 0.002 1 544 1821 53 LEU C C 175.478 0.3 1 545 1821 53 LEU CA C 52.213 0.087 1 546 1821 53 LEU CB C 41.062 0.063 1 547 1821 53 LEU CD1 C 21.652 0.13 2 548 1821 53 LEU CD2 C 24.918 0.05 2 549 1821 53 LEU CG C 24.889 0.3 1 550 1821 53 LEU N N 115.608 0.009 1 551 1822 54 SER H H 7.953 0.004 1 552 1822 54 SER HA H 4.535 0.004 1 553 1822 54 SER HB2 H 3.97 0.013 2 554 1822 54 SER HB3 H 3.706 0.011 2 555 1822 54 SER C C 174.092 0.3 1 556 1822 54 SER CA C 55.239 0.06 1 557 1822 54 SER CB C 61.86 0.115 1 558 1822 54 SER N N 113.147 0.125 1 559 1823 55 GLU H H 9.067 0.002 1 560 1823 55 GLU HA H 3.973 0.003 1 561 1823 55 GLU HB2 H 1.916 0.003 2 562 1823 55 GLU HB3 H 1.767 0.007 2 563 1823 55 GLU HG2 H 2.321 0.002 2 564 1823 55 GLU HG3 H 2.321 0.002 2 565 1823 55 GLU CA C 54.801 0.031 1 566 1823 55 GLU CB C 25.549 0.064 1 567 1823 55 GLU CG C 33.6 0.057 1 568 1823 55 GLU N N 124.684 0.046 1 569 1824 56 PRO HA H 4.757 0.004 1 570 1824 56 PRO HB2 H 2.216 0.004 2 571 1824 56 PRO HB3 H 2.163 0.02 2 572 1824 56 PRO HD2 H 3.456 0.02 2 573 1824 56 PRO HD3 H 3.456 0.02 2 574 1824 56 PRO HG2 H 2.019 0.003 2 575 1824 56 PRO HG3 H 1.363 0.003 2 576 1824 56 PRO C C 173.11 0.3 1 577 1824 56 PRO CA C 61.168 0.008 1 578 1824 56 PRO CB C 31.916 0.06 1 579 1824 56 PRO CD C 47.869 0.3 1 580 1824 56 PRO CG C 22.235 0.065 1 581 1825 57 LEU H H 7.54 0.003 1 582 1825 57 LEU HA H 3.95 0.004 1 583 1825 57 LEU HB2 H 1.783 0.008 2 584 1825 57 LEU HB3 H 1.457 0.004 2 585 1825 57 LEU HD1 H 0.752 0.004 2 586 1825 57 LEU HD2 H 0.725 0.003 2 587 1825 57 LEU HG H 1.422 0.02 1 588 1825 57 LEU C C 173.114 0.3 1 589 1825 57 LEU CA C 54.569 0.028 1 590 1825 57 LEU CB C 41.668 0.087 1 591 1825 57 LEU CD1 C 23.429 0.134 2 592 1825 57 LEU CD2 C 21.739 0.098 2 593 1825 57 LEU CG C 25.379 0.3 1 594 1825 57 LEU N N 121.977 0.035 1 595 1826 58 ARG H H 6.627 0.007 1 596 1826 58 ARG HA H 3.676 0.004 1 597 1826 58 ARG HB2 H 1.154 0.002 2 598 1826 58 ARG HB3 H 1.054 0.013 2 599 1826 58 ARG HD2 H 3.042 0.001 2 600 1826 58 ARG HD3 H 2.97 0.001 2 601 1826 58 ARG HE H 7.05 0.02 1 602 1826 58 ARG HG2 H 1.673 0.008 2 603 1826 58 ARG HG3 H 1.673 0.008 2 604 1826 58 ARG C C 173.01 0.3 1 605 1826 58 ARG CA C 54.596 0.069 1 606 1826 58 ARG CB C 28.786 0.079 1 607 1826 58 ARG CD C 41.18 0.03 1 608 1826 58 ARG CG C 24.983 0.3 1 609 1826 58 ARG N N 115.178 0.036 1 610 1826 58 ARG NE N 110.93 0.3 1 611 1827 59 ILE H H 7.078 0.005 1 612 1827 59 ILE HA H 3.955 0.006 1 613 1827 59 ILE HB H 1.423 0.003 1 614 1827 59 ILE HD1 H -0.013 0.004 1 615 1827 59 ILE HG12 H 1.267 0.005 2 616 1827 59 ILE HG13 H 0.38 0.005 2 617 1827 59 ILE HG2 H 0.619 0.003 1 618 1827 59 ILE C C 172.502 0.3 1 619 1827 59 ILE CA C 58.268 0.061 1 620 1827 59 ILE CB C 34.971 0.068 1 621 1827 59 ILE CD1 C 11.913 0.036 1 622 1827 59 ILE CG1 C 23.968 0.042 1 623 1827 59 ILE CG2 C 16.491 0.033 1 624 1827 59 ILE N N 125.538 0.018 1 625 1828 60 ALA H H 8.404 0.002 1 626 1828 60 ALA HA H 4.367 0.006 1 627 1828 60 ALA HB H 1.15 0.008 1 628 1828 60 ALA C C 176.246 0.3 1 629 1828 60 ALA CA C 50.068 0.086 1 630 1828 60 ALA CB C 16.058 0.002 1 631 1828 60 ALA N N 128.846 0.053 1 632 1829 61 LYS H H 8.326 0.002 1 633 1829 61 LYS HA H 3.875 0.002 1 634 1829 61 LYS HB2 H 1.729 0.008 2 635 1829 61 LYS HB3 H 1.404 0.006 2 636 1829 61 LYS HE2 H 2.833 0.02 2 637 1829 61 LYS HE3 H 2.833 0.02 2 638 1829 61 LYS HG2 H 1.269 0.02 2 639 1829 61 LYS HG3 H 1.269 0.02 2 640 1829 61 LYS CA C 53.827 0.046 1 641 1829 61 LYS CB C 29.803 0.027 1 642 1829 61 LYS N N 119.464 0.02 1 643 1830 62 PRO HA H 4.449 0.01 1 644 1830 62 PRO HB2 H 2.31 0.007 2 645 1830 62 PRO HB3 H 2.182 0.005 2 646 1830 62 PRO HD2 H 3.477 0.004 2 647 1830 62 PRO HD3 H 3.477 0.004 2 648 1830 62 PRO HG2 H 1.86 0.005 2 649 1830 62 PRO HG3 H 2.063 0.005 2 650 1830 62 PRO C C 173.394 0.3 1 651 1830 62 PRO CA C 60.475 0.106 1 652 1830 62 PRO CB C 31.292 0.058 1 653 1830 62 PRO CD C 48.094 0.02 1 654 1830 62 PRO CG C 22.565 0.019 1 655 1831 63 ASN H H 8.071 0.004 1 656 1831 63 ASN HA H 4.912 0.008 1 657 1831 63 ASN HB2 H 2.599 0.007 2 658 1831 63 ASN HB3 H 2.733 0.009 2 659 1831 63 ASN HD21 H 7.504 0.02 2 660 1831 63 ASN HD22 H 7.974 0.02 2 661 1831 63 ASN C C 173.983 0.3 1 662 1831 63 ASN CA C 49.206 0.063 1 663 1831 63 ASN CB C 37.128 0.049 1 664 1831 63 ASN N N 120.583 0.036 1 665 1831 63 ASN ND2 N 110.333 0.002 1 666 1832 64 GLN H H 8.166 0.002 1 667 1832 64 GLN HA H 3.804 0.007 1 668 1832 64 GLN HB2 H 2.14 0.003 2 669 1832 64 GLN HB3 H 2.031 0.003 2 670 1832 64 GLN HE21 H 6.845 0.02 2 671 1832 64 GLN HE22 H 7.355 0.02 2 672 1832 64 GLN HG2 H 2.42 0.004 2 673 1832 64 GLN HG3 H 2.42 0.004 2 674 1832 64 GLN C C 176.104 0.3 1 675 1832 64 GLN CA C 58.261 0.036 1 676 1832 64 GLN CB C 26.167 0.112 1 677 1832 64 GLN CG C 31.714 0.031 1 678 1832 64 GLN N N 120.553 0.028 1 679 1832 64 GLN NE2 N 111.47 0.3 1 680 1833 65 ILE H H 8.233 0.003 1 681 1833 65 ILE HA H 3.731 0.006 1 682 1833 65 ILE HB H 1.816 0.006 1 683 1833 65 ILE HD1 H 0.773 0.011 1 684 1833 65 ILE HG12 H 1.48 0.002 2 685 1833 65 ILE HG13 H 1.22 0.006 2 686 1833 65 ILE HG2 H 0.793 0.001 1 687 1833 65 ILE C C 175.618 0.3 1 688 1833 65 ILE CA C 61.573 0.05 1 689 1833 65 ILE CB C 34.328 0.058 1 690 1833 65 ILE CD1 C 9.529 0.027 1 691 1833 65 ILE CG1 C 26.389 0.075 1 692 1833 65 ILE CG2 C 15.04 0.075 1 693 1833 65 ILE N N 118.05 0.058 1 694 1834 66 SER H H 7.483 0.004 1 695 1834 66 SER HA H 4.086 0.004 1 696 1834 66 SER HB2 H 3.692 0.004 2 697 1834 66 SER HB3 H 3.577 0.005 2 698 1834 66 SER C C 174.22 0.3 1 699 1834 66 SER CA C 59.776 0.141 1 700 1834 66 SER CB C 60.56 0.101 1 701 1834 66 SER N N 115.185 0.039 1 702 1835 67 LEU H H 7.648 0.002 1 703 1835 67 LEU HA H 4.232 0.003 1 704 1835 67 LEU HB2 H 1.924 0.004 2 705 1835 67 LEU HB3 H 1.331 0.002 2 706 1835 67 LEU HD1 H 0.816 0.003 2 707 1835 67 LEU HD2 H 0.579 0.001 2 708 1835 67 LEU HG H 1.729 0.002 1 709 1835 67 LEU C C 177.968 0.3 1 710 1835 67 LEU CA C 55.443 0.049 1 711 1835 67 LEU CB C 38.969 0.061 1 712 1835 67 LEU CD1 C 20.641 0.043 2 713 1835 67 LEU CD2 C 22.337 0.102 2 714 1835 67 LEU CG C 24.573 0.071 1 715 1835 67 LEU N N 119.488 0.004 1 716 1836 68 ILE H H 8.327 0.009 1 717 1836 68 ILE HA H 3.853 0.004 1 718 1836 68 ILE HB H 1.919 0.004 1 719 1836 68 ILE HD1 H 0.8 0.007 1 720 1836 68 ILE HG12 H 1.689 0.006 2 721 1836 68 ILE HG13 H 1.204 0.005 2 722 1836 68 ILE HG2 H 0.903 0.005 1 723 1836 68 ILE C C 176.723 0.3 1 724 1836 68 ILE CA C 62.324 0.063 1 725 1836 68 ILE CB C 35.743 0.06 1 726 1836 68 ILE CD1 C 11.119 0.07 1 727 1836 68 ILE CG1 C 27.074 0.124 1 728 1836 68 ILE CG2 C 14.821 0.031 1 729 1836 68 ILE N N 121.41 0.079 1 730 1837 69 ASN H H 7.729 0.003 1 731 1837 69 ASN HA H 4.541 0.006 1 732 1837 69 ASN HB2 H 2.842 0.006 2 733 1837 69 ASN HB3 H 2.74 0.008 2 734 1837 69 ASN HD21 H 6.766 0.02 2 735 1837 69 ASN HD22 H 7.484 0.02 2 736 1837 69 ASN C C 173.626 0.02 1 737 1837 69 ASN CA C 52.005 0.044 1 738 1837 69 ASN CB C 36.171 0.087 1 739 1837 69 ASN N N 117.085 0.025 1 740 1837 69 ASN ND2 N 111.496 0.017 1 741 1838 70 MET H H 7.392 0.004 1 742 1838 70 MET HA H 4.121 0.002 1 743 1838 70 MET HB2 H 2.16 0.005 2 744 1838 70 MET HB3 H 1.992 0.006 2 745 1838 70 MET HE H 1.669 0.02 1 746 1838 70 MET HG2 H 3.014 0.002 2 747 1838 70 MET HG3 H 2.49 0.002 2 748 1838 70 MET C C 173.19 0.3 1 749 1838 70 MET CA C 55.592 0.062 1 750 1838 70 MET CB C 31.001 0.103 1 751 1838 70 MET CE C 15.829 0.3 1 752 1838 70 MET CG C 31.222 0.092 1 753 1838 70 MET N N 118.195 0.045 1 754 1839 71 ASP H H 7.929 0.004 1 755 1839 71 ASP HA H 4.336 0.004 1 756 1839 71 ASP HB2 H 2.914 0.008 2 757 1839 71 ASP HB3 H 2.308 0.006 2 758 1839 71 ASP C C 172.826 0.3 1 759 1839 71 ASP CA C 51.889 0.079 1 760 1839 71 ASP CB C 37.064 0.058 1 761 1839 71 ASP N N 119.225 0.085 1 762 1840 72 LEU H H 8.72 0.002 1 763 1840 72 LEU HA H 4.334 0.003 1 764 1840 72 LEU HB2 H 1.746 0.006 2 765 1840 72 LEU HB3 H 1.179 0.005 2 766 1840 72 LEU HD1 H 1.008 0.001 2 767 1840 72 LEU HD2 H 0.853 0.002 2 768 1840 72 LEU HG H 1.588 0.004 1 769 1840 72 LEU CA C 50.741 0.106 1 770 1840 72 LEU CB C 39.174 0.045 1 771 1840 72 LEU CD1 C 24.468 0.091 2 772 1840 72 LEU CD2 C 22.005 0.007 2 773 1840 72 LEU CG C 24.953 0.009 1 774 1840 72 LEU N N 121.474 0.01 1 775 1841 73 PRO HA H 4.415 0.004 1 776 1841 73 PRO HB2 H 2.176 0.01 2 777 1841 73 PRO HB3 H 1.895 0.005 2 778 1841 73 PRO HD2 H 3.381 0.004 2 779 1841 73 PRO HD3 H 3.949 0.004 2 780 1841 73 PRO HG2 H 2.076 0.002 2 781 1841 73 PRO HG3 H 1.97 0.001 2 782 1841 73 PRO C C 173.694 0.3 1 783 1841 73 PRO CA C 60.369 0.086 1 784 1841 73 PRO CB C 29.008 0.084 1 785 1841 73 PRO CD C 48.368 0.045 1 786 1841 73 PRO CG C 25.285 0.034 1 787 1842 74 MET H H 8.218 0.002 1 788 1842 74 MET HA H 5.134 0.004 1 789 1842 74 MET HB2 H 1.868 0.006 2 790 1842 74 MET HB3 H 1.868 0.006 2 791 1842 74 MET HE H 1.713 0.02 1 792 1842 74 MET HG2 H 2.438 0.004 2 793 1842 74 MET HG3 H 2.254 0.003 2 794 1842 74 MET C C 174.649 0.3 1 795 1842 74 MET CA C 52.11 0.047 1 796 1842 74 MET CB C 33.815 0.068 1 797 1842 74 MET CE C 14.689 0.3 1 798 1842 74 MET CG C 29.797 0.038 1 799 1842 74 MET N N 121.128 0.021 1 800 1843 75 VAL H H 8.938 0.003 1 801 1843 75 VAL HA H 4.527 0.005 1 802 1843 75 VAL HB H 2.197 0.007 1 803 1843 75 VAL HG1 H 0.936 0.004 2 804 1843 75 VAL HG2 H 0.729 0.004 2 805 1843 75 VAL C C 173.532 0.3 1 806 1843 75 VAL CA C 57.759 0.048 1 807 1843 75 VAL CB C 31.301 0.053 1 808 1843 75 VAL CG1 C 19.154 0.038 2 809 1843 75 VAL CG2 C 17.683 0.091 2 810 1843 75 VAL N N 118.268 0.016 1 811 1844 76 SER H H 8.149 0.002 1 812 1844 76 SER HA H 4.074 0.007 1 813 1844 76 SER HB2 H 3.807 0.001 2 814 1844 76 SER HB3 H 3.75 0.001 2 815 1844 76 SER C C 172.45 0.3 1 816 1844 76 SER CA C 57.038 0.073 1 817 1844 76 SER CB C 60.67 0.084 1 818 1844 76 SER N N 114.743 0.037 1 819 1845 77 GLY H H 8.652 0.002 1 820 1845 77 GLY HA2 H 4.042 0.009 2 821 1845 77 GLY HA3 H 3.569 0.009 2 822 1845 77 GLY C C 171.995 0.3 1 823 1845 77 GLY CA C 43.161 0.072 1 824 1845 77 GLY N N 111.344 0.036 1 825 1846 78 ASP H H 8.288 0.002 1 826 1846 78 ASP HA H 4.491 0.007 1 827 1846 78 ASP HB2 H 3.013 0.008 2 828 1846 78 ASP HB3 H 2.856 0.008 2 829 1846 78 ASP C C 172.023 0.3 1 830 1846 78 ASP CA C 52.582 0.045 1 831 1846 78 ASP CB C 37.034 0.107 1 832 1846 78 ASP N N 118.644 0.021 1 833 1847 79 ARG H H 7.256 0.005 1 834 1847 79 ARG HA H 5.056 0.003 1 835 1847 79 ARG HB2 H 1.431 0.003 2 836 1847 79 ARG HB3 H 1.431 0.003 2 837 1847 79 ARG HD2 H 2.9 0.005 2 838 1847 79 ARG HD3 H 2.703 0.005 2 839 1847 79 ARG HG2 H 1.501 0.004 2 840 1847 79 ARG HG3 H 1.313 0.007 2 841 1847 79 ARG C C 172.956 0.3 1 842 1847 79 ARG CA C 52.901 0.051 1 843 1847 79 ARG CB C 30.606 0.06 1 844 1847 79 ARG CD C 41.018 0.025 1 845 1847 79 ARG CG C 25.556 0.161 1 846 1847 79 ARG N N 116.578 0.018 1 847 1848 80 ILE H H 9.186 0.003 1 848 1848 80 ILE HA H 4.711 0.004 1 849 1848 80 ILE HB H 1.653 0.007 1 850 1848 80 ILE HD1 H 0.944 0.002 1 851 1848 80 ILE HG12 H 1.609 0.002 2 852 1848 80 ILE HG13 H 1.1 0.003 2 853 1848 80 ILE HG2 H 1.179 0.02 1 854 1848 80 ILE C C 172.526 0.3 1 855 1848 80 ILE CA C 58.138 0.088 1 856 1848 80 ILE CB C 39.582 0.077 1 857 1848 80 ILE CD1 C 13.991 0.08 1 858 1848 80 ILE CG1 C 26.008 0.037 1 859 1848 80 ILE CG2 C 17.933 0.093 1 860 1848 80 ILE N N 119.683 0.036 1 861 1849 81 HIS H H 9.757 0.004 1 862 1849 81 HIS HA H 4.18 0.002 1 863 1849 81 HIS HB2 H 2.92 0.001 2 864 1849 81 HIS HB3 H 2.852 0.02 2 865 1849 81 HIS HD2 H 6.146 0.02 1 866 1849 81 HIS C C 175.058 0.3 1 867 1849 81 HIS CA C 55.51 0.07 1 868 1849 81 HIS CB C 29.894 0.098 1 869 1849 81 HIS N N 128.31 0.044 1 870 1850 82 CYS H H 7.91 0.004 1 871 1850 82 CYS HA H 3.104 0.006 1 872 1850 82 CYS HB2 H 1.589 0.005 2 873 1850 82 CYS HB3 H 1.457 0.009 2 874 1850 82 CYS C C 173.202 0.3 1 875 1850 82 CYS CA C 57.694 0.069 1 876 1850 82 CYS CB C 39.975 0.045 1 877 1850 82 CYS N N 124.909 0.032 1 878 1851 83 MET H H 9.901 0.009 1 879 1851 83 MET HA H 4.094 0.003 1 880 1851 83 MET HB2 H 2.012 0.007 2 881 1851 83 MET HB3 H 1.841 0.008 2 882 1851 83 MET HE H 1.849 0.02 1 883 1851 83 MET HG2 H 2.546 0.009 2 884 1851 83 MET HG3 H 2.421 0.007 2 885 1851 83 MET C C 177.083 0.3 1 886 1851 83 MET CA C 55.355 0.04 1 887 1851 83 MET CB C 28.92 0.114 1 888 1851 83 MET CE C 14.409 0.3 1 889 1851 83 MET CG C 30.522 0.028 1 890 1851 83 MET N N 120.016 0.026 1 891 1852 84 ASP H H 7.191 0.004 1 892 1852 84 ASP HA H 4.594 0.009 1 893 1852 84 ASP HB2 H 2.843 0.003 2 894 1852 84 ASP HB3 H 2.587 0.003 2 895 1852 84 ASP C C 177.032 0.3 1 896 1852 84 ASP CA C 55.263 0.07 1 897 1852 84 ASP CB C 38.501 0.078 1 898 1852 84 ASP N N 118.342 0.021 1 899 1853 85 ILE H H 7.419 0.003 1 900 1853 85 ILE HA H 3.46 0.003 1 901 1853 85 ILE HB H 1.811 0.006 1 902 1853 85 ILE HD1 H 0.698 0.004 1 903 1853 85 ILE HG12 H 1.605 0.005 2 904 1853 85 ILE HG13 H 0.868 0.004 2 905 1853 85 ILE HG2 H 0.325 0.003 1 906 1853 85 ILE C C 174.183 0.3 1 907 1853 85 ILE CA C 62.255 0.061 1 908 1853 85 ILE CB C 34.945 0.086 1 909 1853 85 ILE CD1 C 12.165 0.037 1 910 1853 85 ILE CG1 C 27.376 0.025 1 911 1853 85 ILE CG2 C 14.704 0.111 1 912 1853 85 ILE N N 121.622 0.031 1 913 1854 86 LEU H H 8.651 0.002 1 914 1854 86 LEU HA H 3.406 0.006 1 915 1854 86 LEU HB2 H 1.488 0.013 2 916 1854 86 LEU HB3 H 0.975 0.01 2 917 1854 86 LEU HD1 H 0.483 0.005 2 918 1854 86 LEU HD2 H -0.207 0.004 2 919 1854 86 LEU HG H 1.028 0.005 1 920 1854 86 LEU C C 177.801 0.3 1 921 1854 86 LEU CA C 56.171 0.056 1 922 1854 86 LEU CB C 38.498 0.045 1 923 1854 86 LEU CD1 C 22.902 0.076 2 924 1854 86 LEU CD2 C 18.057 0.123 2 925 1854 86 LEU CG C 24.05 0.065 1 926 1854 86 LEU N N 120.347 0.038 1 927 1855 87 PHE H H 8.133 0.005 1 928 1855 87 PHE HA H 4.15 0.004 1 929 1855 87 PHE HB2 H 3.289 0.008 2 930 1855 87 PHE HB3 H 3.109 0.006 2 931 1855 87 PHE HD1 H 7.227 0.02 3 932 1855 87 PHE HD2 H 7.227 0.02 3 933 1855 87 PHE HE1 H 6.698 0.02 3 934 1855 87 PHE HE2 H 6.698 0.02 3 935 1855 87 PHE C C 175.187 0.3 1 936 1855 87 PHE CA C 58.897 0.108 1 937 1855 87 PHE CB C 36.382 0.052 1 938 1855 87 PHE N N 119.177 0.066 1 939 1856 88 ALA H H 7.879 0.006 1 940 1856 88 ALA HA H 4.034 0.007 1 941 1856 88 ALA HB H 1.762 0.006 1 942 1856 88 ALA C C 173.778 0.3 1 943 1856 88 ALA CA C 53.085 0.069 1 944 1856 88 ALA CB C 17.284 0.06 1 945 1856 88 ALA N N 120.983 0.032 1 946 1857 89 PHE H H 9.512 0.004 1 947 1857 89 PHE HA H 4.334 0.003 1 948 1857 89 PHE HB2 H 3.393 0.002 2 949 1857 89 PHE HB3 H 2.936 0.006 2 950 1857 89 PHE HD1 H 7.284 0.02 3 951 1857 89 PHE HD2 H 7.284 0.02 3 952 1857 89 PHE HE1 H 7.152 0.02 3 953 1857 89 PHE HE2 H 7.152 0.02 3 954 1857 89 PHE C C 176.722 0.3 1 955 1857 89 PHE CA C 57.316 0.078 1 956 1857 89 PHE CB C 34.844 0.038 1 957 1857 89 PHE N N 118.894 0.04 1 958 1858 90 THR H H 8.236 0.003 1 959 1858 90 THR HA H 3.749 0.007 1 960 1858 90 THR HB H 4.103 0.003 1 961 1858 90 THR HG2 H 1.077 0.007 1 962 1858 90 THR C C 173.803 0.3 1 963 1858 90 THR CA C 64.351 0.071 1 964 1858 90 THR CB C 66.002 0.139 1 965 1858 90 THR CG2 C 19.065 0.104 1 966 1858 90 THR N N 115.544 0.045 1 967 1859 91 LYS H H 7.949 0.004 1 968 1859 91 LYS HA H 3.722 0.008 1 969 1859 91 LYS HB2 H 1.637 0.011 2 970 1859 91 LYS HB3 H 1.637 0.011 2 971 1859 91 LYS HD2 H 1.449 0.008 2 972 1859 91 LYS HD3 H 1.449 0.008 2 973 1859 91 LYS HE2 H 2.773 0.007 2 974 1859 91 LYS HE3 H 2.688 0.003 2 975 1859 91 LYS HG2 H 1.216 0.004 2 976 1859 91 LYS HG3 H 1.162 0.001 2 977 1859 91 LYS C C 176.324 0.3 1 978 1859 91 LYS CA C 57.233 0.073 1 979 1859 91 LYS CB C 29.376 0.052 1 980 1859 91 LYS CD C 26.705 0.014 1 981 1859 91 LYS CE C 39.483 0.036 1 982 1859 91 LYS CG C 22.395 0.003 1 983 1859 91 LYS N N 122.239 0.029 1 984 1860 92 ARG H H 7.297 0.006 1 985 1860 92 ARG HA H 3.953 0.005 1 986 1860 92 ARG HB2 H 1.754 0.004 2 987 1860 92 ARG HB3 H 1.679 0.003 2 988 1860 92 ARG HD2 H 2.995 0.02 2 989 1860 92 ARG HD3 H 2.93 0.001 2 990 1860 92 ARG HG2 H 1.54 0.007 2 991 1860 92 ARG HG3 H 1.316 0.005 2 992 1860 92 ARG C C 175.655 0.3 1 993 1860 92 ARG CA C 56.398 0.08 1 994 1860 92 ARG CB C 27.167 0.055 1 995 1860 92 ARG CD C 40.34 0.025 1 996 1860 92 ARG CG C 24.838 0.3 1 997 1860 92 ARG N N 117.216 0.054 1 998 1861 93 VAL H H 7.029 0.003 1 999 1861 93 VAL HA H 3.718 0.005 1 1000 1861 93 VAL HB H 2.107 0.003 1 1001 1861 93 VAL HG1 H 0.945 0.001 2 1002 1861 93 VAL HG2 H 0.814 0.007 2 1003 1861 93 VAL C C 175.21 0.3 1 1004 1861 93 VAL CA C 62.552 0.029 1 1005 1861 93 VAL CB C 29.698 0.035 1 1006 1861 93 VAL CG1 C 20.462 0.017 2 1007 1861 93 VAL CG2 C 19.113 0.078 2 1008 1861 93 VAL N N 117.098 0.035 1 1009 1862 94 LEU H H 7.899 0.002 1 1010 1862 94 LEU HA H 4.086 0.005 1 1011 1862 94 LEU HB2 H 1.655 0.003 2 1012 1862 94 LEU HB3 H 1.516 0.004 2 1013 1862 94 LEU HD1 H 0.774 0.006 2 1014 1862 94 LEU HD2 H 0.774 0.006 2 1015 1862 94 LEU HG H 1.665 0.005 1 1016 1862 94 LEU C C 176.066 0.3 1 1017 1862 94 LEU CA C 53.853 0.048 1 1018 1862 94 LEU CB C 39.793 0.083 1 1019 1862 94 LEU CD1 C 22.916 0.102 2 1020 1862 94 LEU CD2 C 20.169 0.005 2 1021 1862 94 LEU CG C 24.452 0.123 1 1022 1862 94 LEU N N 118.566 0.065 1 1023 1863 95 GLY H H 7.883 0.003 1 1024 1863 95 GLY HA2 H 3.908 0.003 2 1025 1863 95 GLY HA3 H 3.908 0.003 2 1026 1863 95 GLY C C 171.81 0.3 1 1027 1863 95 GLY CA C 43.163 0.044 1 1028 1863 95 GLY N N 106.673 0.053 1 1029 1864 96 GLU H H 7.925 0.003 1 1030 1864 96 GLU HA H 4.313 0.007 1 1031 1864 96 GLU HB2 H 2.043 0.004 2 1032 1864 96 GLU HB3 H 1.797 0.005 2 1033 1864 96 GLU HG2 H 2.178 0.007 2 1034 1864 96 GLU HG3 H 2.178 0.007 2 1035 1864 96 GLU C C 173.408 0.3 1 1036 1864 96 GLU CA C 53.77 0.098 1 1037 1864 96 GLU CB C 28.429 0.165 1 1038 1864 96 GLU CG C 33.854 0.053 1 1039 1864 96 GLU N N 119.759 0.054 1 1040 1865 97 SER H H 7.878 0.003 1 1041 1865 97 SER HA H 4.178 0.004 1 1042 1865 97 SER HB2 H 3.757 0.008 2 1043 1865 97 SER HB3 H 3.757 0.008 2 1044 1865 97 SER CA C 57.696 0.063 1 1045 1865 97 SER CB C 62.424 0.076 1 1046 1865 97 SER N N 121.936 0.02 1 stop_ save_