data_15457 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Talin Rod domain, 1655-1822 ; _BMRB_accession_number 15457 _BMRB_flat_file_name bmr15457.str _Entry_type original _Submission_date 2007-09-05 _Accession_date 2007-09-05 _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 Goult Benjamin T. . 2 Gingras Alexandre R. . 3 Bate Neil . . 4 Critchley David R. . 5 Barsukov Igor L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 912 "13C chemical shifts" 708 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-22 update BMRB 'update related entry loop' 2010-04-16 update BMRB 'add related PDB ID' 2009-05-26 update BMRB 'complete entry citation' 2009-03-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15458 'F0 domain (residues 1-85)' 15615 'F0F1 double domain' 15616 F1 15625 'Residues 1815-1973' 16930 'F2 domain (residues 196-309)' 16932 'F2F3 domain (residues 196-405)' 16959 'F1F2 double domain (residues 86-303)' 17070 'domain C' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Structure of an Interdomain Complex That Regulates Talin Activity' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19297334 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Bate Neil . . 3 Anthis Nicholas J. . 4 Wegener Kate L. . 5 Gingras Alexandre R. . 6 Patel Bipin . . 7 Barsukov Igor L. . 8 Campbell Iain D. . 9 Roberts Gordon C. . 10 Critchley David R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 284 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15097 _Page_last 15106 _Year 2009 _Details . loop_ _Keyword Domain E Rod Talin TRD37-41 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_entry_citation_2 _Saveframe_category citation _Citation_full . _Citation_title 'NMR assignment of the C-terminal actin-binding domain of talin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Gingras Alexandre R. . 3 Bate Neil . . 4 Roberts Gordon C. . 5 Critchley David R. . 6 Barsukov Igor L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full . _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 17 _Page_last 19 _Year 2008 _Details . loop_ _Keyword Domain E Rod Talin TRD37-41 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 1655-1822 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 1655-1822 $1655-1822 stop_ _System_molecular_weight 18226 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_1655-1822 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1655-1822 _Molecular_mass 18254.602 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; GIDPFTAPGQLECETAIAAL NSCLRDLDQASLAAVSQQLA PREGISQEALHTQMLTAVQE ISHLIEPLASAARAEASQLG HKVSQMAQYFEPLTLAAVGA ASKTLSHPQQMALLDQTKTL AESALQLLYTAKEAGGNPKQ AAHTQEALEEAVQMMTEAVE DLTTTLNEAASAAG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1649 GLY 2 1650 ILE 3 1651 ASP 4 1652 PRO 5 1653 PHE 6 1654 THR 7 1655 ALA 8 1656 PRO 9 1657 GLY 10 1658 GLN 11 1659 LEU 12 1660 GLU 13 1661 CYS 14 1662 GLU 15 1663 THR 16 1664 ALA 17 1665 ILE 18 1666 ALA 19 1667 ALA 20 1668 LEU 21 1669 ASN 22 1670 SER 23 1671 CYS 24 1672 LEU 25 1673 ARG 26 1674 ASP 27 1675 LEU 28 1676 ASP 29 1677 GLN 30 1678 ALA 31 1679 SER 32 1680 LEU 33 1681 ALA 34 1682 ALA 35 1683 VAL 36 1684 SER 37 1685 GLN 38 1686 GLN 39 1687 LEU 40 1688 ALA 41 1689 PRO 42 1690 ARG 43 1691 GLU 44 1692 GLY 45 1693 ILE 46 1694 SER 47 1695 GLN 48 1696 GLU 49 1697 ALA 50 1698 LEU 51 1699 HIS 52 1700 THR 53 1701 GLN 54 1702 MET 55 1703 LEU 56 1704 THR 57 1705 ALA 58 1706 VAL 59 1707 GLN 60 1708 GLU 61 1709 ILE 62 1710 SER 63 1711 HIS 64 1712 LEU 65 1713 ILE 66 1714 GLU 67 1715 PRO 68 1716 LEU 69 1717 ALA 70 1718 SER 71 1719 ALA 72 1720 ALA 73 1721 ARG 74 1722 ALA 75 1723 GLU 76 1724 ALA 77 1725 SER 78 1726 GLN 79 1727 LEU 80 1728 GLY 81 1729 HIS 82 1730 LYS 83 1731 VAL 84 1732 SER 85 1733 GLN 86 1734 MET 87 1735 ALA 88 1736 GLN 89 1737 TYR 90 1738 PHE 91 1739 GLU 92 1740 PRO 93 1741 LEU 94 1742 THR 95 1743 LEU 96 1744 ALA 97 1745 ALA 98 1746 VAL 99 1747 GLY 100 1748 ALA 101 1749 ALA 102 1750 SER 103 1751 LYS 104 1752 THR 105 1753 LEU 106 1754 SER 107 1755 HIS 108 1756 PRO 109 1757 GLN 110 1758 GLN 111 1759 MET 112 1760 ALA 113 1761 LEU 114 1762 LEU 115 1763 ASP 116 1764 GLN 117 1765 THR 118 1766 LYS 119 1767 THR 120 1768 LEU 121 1769 ALA 122 1770 GLU 123 1771 SER 124 1772 ALA 125 1773 LEU 126 1774 GLN 127 1775 LEU 128 1776 LEU 129 1777 TYR 130 1778 THR 131 1779 ALA 132 1780 LYS 133 1781 GLU 134 1782 ALA 135 1783 GLY 136 1784 GLY 137 1785 ASN 138 1786 PRO 139 1787 LYS 140 1788 GLN 141 1789 ALA 142 1790 ALA 143 1791 HIS 144 1792 THR 145 1793 GLN 146 1794 GLU 147 1795 ALA 148 1796 LEU 149 1797 GLU 150 1798 GLU 151 1799 ALA 152 1800 VAL 153 1801 GLN 154 1802 MET 155 1803 MET 156 1804 THR 157 1805 GLU 158 1806 ALA 159 1807 VAL 160 1808 GLU 161 1809 ASP 162 1810 LEU 163 1811 THR 164 1812 THR 165 1813 THR 166 1814 LEU 167 1815 ASN 168 1816 GLU 169 1817 ALA 170 1818 ALA 171 1819 SER 172 1820 ALA 173 1821 ALA 174 1822 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KBB "Nmr Structure Of The Talin Rod Domain, 1655-1822" 100.00 174 100.00 100.00 4.79e-117 PDB 2KGX "Haddock Structure Of The Talin F3 Domain In Complex With Talin 1655-1822" 100.00 174 100.00 100.00 4.79e-117 PDB 4F7G "Crystal Structure Of Talin Autoinhibition Complex" 96.55 216 100.00 100.00 6.25e-110 DBJ BAA82979 "KIAA1027 protein [Homo sapiens]" 96.55 2550 99.40 100.00 1.22e-99 DBJ BAC65702 "mKIAA1027 protein [Mus musculus]" 96.55 2564 100.00 100.00 4.29e-100 DBJ BAE27781 "unnamed protein product [Mus musculus]" 96.55 2541 100.00 100.00 6.73e-100 DBJ BAE41923 "unnamed protein product, partial [Mus musculus]" 96.55 1051 99.40 99.40 7.31e-102 DBJ BAE42391 "unnamed protein product [Mus musculus]" 96.55 1051 99.40 99.40 7.31e-102 EMBL CAA39588 "talin [Mus musculus]" 96.55 2541 100.00 100.00 6.93e-100 GB AAD13152 "talin [Homo sapiens]" 96.55 2541 98.81 99.40 1.22e-98 GB AAF23322 "talin [Homo sapiens]" 96.55 2541 98.81 99.40 1.22e-98 GB AAF27330 "talin [Homo sapiens]" 96.55 2540 99.40 100.00 1.19e-99 GB AAH18557 "Tln1 protein, partial [Mus musculus]" 96.55 939 100.00 100.00 1.21e-103 GB AAH42923 "Talin 1 [Homo sapiens]" 96.55 2541 99.40 100.00 1.61e-99 PRF 1617167A talin 96.55 2541 100.00 100.00 6.93e-100 REF NP_001034114 "talin-1 [Rattus norvegicus]" 96.55 2541 100.00 100.00 5.13e-100 REF NP_006280 "talin-1 [Homo sapiens]" 96.55 2541 99.40 100.00 1.49e-99 REF NP_035732 "talin-1 [Mus musculus]" 96.55 2541 100.00 100.00 6.73e-100 REF XP_001084941 "PREDICTED: talin-1 [Macaca mulatta]" 96.55 2428 98.21 98.81 2.61e-98 REF XP_001504543 "PREDICTED: talin-1 isoform X1 [Equus caballus]" 96.55 2541 99.40 100.00 4.29e-99 SP P26039 "RecName: Full=Talin-1" 96.55 2541 100.00 100.00 6.73e-100 SP Q9Y490 "RecName: Full=Talin-1" 96.55 2541 99.40 100.00 1.49e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $1655-1822 Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $1655-1822 'recombinant technology' . Escherichia coli BL21(DE3) PET-151 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $1655-1822 1 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_15n _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $1655-1822 1 mM '[U-100% 15N]' NaCl 50 mM 'natural abundance' stop_ save_ save_double _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $1655-1822 1 mM '[U-100% 13C; U-100% 15N]' NaCl 50 mM '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_CCPNMR_Analysis _Saveframe_category software _Name ANALYSIS _Version 1.015 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15n save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $double save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $double save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $double save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $double save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15n save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double 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 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 308 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $15n stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 1655-1822 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ILE HA H 4.229 0.015 1 2 2 2 ILE HB H 1.837 0.015 1 3 2 2 ILE HD1 H 0.867 0.015 1 4 2 2 ILE HG12 H 1.173 0.015 1 5 2 2 ILE HG13 H 1.443 0.015 1 6 2 2 ILE HG2 H 0.895 0.015 1 7 2 2 ILE C C 175.735 0.25 1 8 2 2 ILE CA C 61.033 0.25 1 9 2 2 ILE CB C 39.098 0.25 1 10 2 2 ILE CD1 C 13.142 0.25 1 11 2 2 ILE CG1 C 27.178 0.003 1 12 2 2 ILE CG2 C 17.570 0.25 1 13 3 3 ASP H H 8.399 0.015 1 14 3 3 ASP HA H 4.899 0.015 1 15 3 3 ASP HB2 H 2.765 0.015 1 16 3 3 ASP HB3 H 2.569 0.015 1 17 3 3 ASP C C 174.896 0.25 1 18 3 3 ASP CA C 52.256 0.25 1 19 3 3 ASP CB C 41.387 0.003 1 20 3 3 ASP N N 126.259 0.25 1 21 4 4 PRO HA H 4.369 0.015 1 22 4 4 PRO HB2 H 2.185 0.015 1 23 4 4 PRO HB3 H 1.682 0.015 1 24 4 4 PRO HD2 H 3.881 0.015 1 25 4 4 PRO HD3 H 3.757 0.015 1 26 4 4 PRO HG2 H 1.934 0.015 1 27 4 4 PRO HG3 H 1.769 0.015 1 28 4 4 PRO C C 176.872 0.25 1 29 4 4 PRO CA C 63.567 0.25 1 30 4 4 PRO CB C 32.006 0.012 1 31 4 4 PRO CD C 50.847 0.002 1 32 4 4 PRO CG C 26.964 0.002 1 33 5 5 PHE H H 8.214 0.015 1 34 5 5 PHE HA H 4.662 0.015 1 35 5 5 PHE HB2 H 3.215 0.015 1 36 5 5 PHE HB3 H 3.136 0.015 1 37 5 5 PHE HD1 H 7.337 0.015 3 38 5 5 PHE HD2 H 7.337 0.015 3 39 5 5 PHE HE1 H 7.398 0.015 3 40 5 5 PHE HE2 H 7.398 0.015 3 41 5 5 PHE HZ H 7.343 0.015 1 42 5 5 PHE C C 176.016 0.25 1 43 5 5 PHE CA C 58.019 0.25 1 44 5 5 PHE CB C 39.166 0.25 1 45 5 5 PHE CD1 C 131.720 0.25 3 46 5 5 PHE CD2 C 131.720 0.25 3 47 5 5 PHE CE1 C 131.682 0.25 3 48 5 5 PHE CE2 C 131.682 0.25 3 49 5 5 PHE CZ C 129.846 0.25 1 50 5 5 PHE N N 118.709 0.25 1 51 6 6 THR H H 7.804 0.015 1 52 6 6 THR HA H 4.320 0.015 1 53 6 6 THR HB H 4.155 0.015 1 54 6 6 THR HG2 H 1.225 0.015 1 55 6 6 THR C C 173.614 0.25 1 56 6 6 THR CA C 61.743 0.25 1 57 6 6 THR CB C 69.997 0.25 1 58 6 6 THR CG2 C 21.833 0.25 1 59 6 6 THR N N 115.281 0.25 1 60 7 7 ALA H H 8.148 0.015 1 61 7 7 ALA HA H 4.615 0.015 1 62 7 7 ALA HB H 1.456 0.015 1 63 7 7 ALA C C 175.258 0.25 1 64 7 7 ALA CA C 50.808 0.25 1 65 7 7 ALA CB C 18.128 0.25 1 66 7 7 ALA N N 127.838 0.25 1 67 8 8 PRO HA H 4.442 0.015 1 68 8 8 PRO HB2 H 1.859 0.015 1 69 8 8 PRO HB3 H 2.334 0.015 1 70 8 8 PRO HD2 H 3.709 0.015 1 71 8 8 PRO HD3 H 3.898 0.015 1 72 8 8 PRO HG2 H 2.059 0.015 1 73 8 8 PRO HG3 H 2.123 0.015 1 74 8 8 PRO C C 177.097 0.25 1 75 8 8 PRO CA C 64.112 0.25 1 76 8 8 PRO CB C 31.663 0.009 1 77 8 8 PRO CD C 50.726 0.007 1 78 8 8 PRO CG C 27.638 0.013 1 79 9 9 GLY H H 8.750 0.015 1 80 9 9 GLY HA2 H 3.648 0.015 1 81 9 9 GLY HA3 H 4.122 0.015 1 82 9 9 GLY C C 174.852 0.25 1 83 9 9 GLY CA C 46.315 0.003 1 84 9 9 GLY N N 111.156 0.25 1 85 10 10 GLN H H 7.778 0.015 1 86 10 10 GLN HA H 3.915 0.015 1 87 10 10 GLN HB2 H 2.200 0.015 1 88 10 10 GLN HB3 H 2.200 0.015 1 89 10 10 GLN HE21 H 7.998 0.015 1 90 10 10 GLN HE22 H 7.328 0.015 1 91 10 10 GLN HG2 H 2.311 0.015 1 92 10 10 GLN HG3 H 2.448 0.015 1 93 10 10 GLN C C 178.065 0.25 1 94 10 10 GLN CA C 59.536 0.25 1 95 10 10 GLN CB C 28.934 0.25 1 96 10 10 GLN CG C 34.313 0.005 1 97 10 10 GLN N N 120.408 0.25 1 98 10 10 GLN NE2 N 114.265 0.002 1 99 11 11 LEU H H 8.638 0.015 1 100 11 11 LEU HA H 4.119 0.015 1 101 11 11 LEU HB2 H 1.640 0.015 1 102 11 11 LEU HB3 H 1.600 0.015 1 103 11 11 LEU HD1 H 0.919 0.015 1 104 11 11 LEU HD2 H 0.911 0.015 1 105 11 11 LEU HG H 1.599 0.015 1 106 11 11 LEU C C 179.950 0.25 1 107 11 11 LEU CA C 57.991 0.25 1 108 11 11 LEU CB C 41.317 0.001 1 109 11 11 LEU CD1 C 24.120 0.25 1 110 11 11 LEU CD2 C 27.011 0.25 1 111 11 11 LEU CG C 27.151 0.25 1 112 11 11 LEU N N 121.491 0.25 1 113 12 12 GLU H H 9.675 0.015 1 114 12 12 GLU HA H 3.949 0.015 1 115 12 12 GLU HB2 H 2.088 0.015 1 116 12 12 GLU HB3 H 1.862 0.015 1 117 12 12 GLU HG2 H 2.525 0.015 1 118 12 12 GLU HG3 H 2.238 0.015 1 119 12 12 GLU C C 180.238 0.25 1 120 12 12 GLU CA C 61.192 0.25 1 121 12 12 GLU CB C 28.282 0.018 1 122 12 12 GLU CG C 37.324 0.006 1 123 12 12 GLU N N 121.336 0.25 1 124 13 13 CYS H H 8.183 0.015 1 125 13 13 CYS HA H 4.126 0.015 1 126 13 13 CYS HB2 H 3.295 0.015 1 127 13 13 CYS HB3 H 2.470 0.015 1 128 13 13 CYS C C 176.195 0.25 1 129 13 13 CYS CA C 64.952 0.25 1 130 13 13 CYS CB C 27.165 0.001 1 131 13 13 CYS N N 116.930 0.25 1 132 14 14 GLU H H 8.251 0.015 1 133 14 14 GLU HA H 3.978 0.015 1 134 14 14 GLU HB2 H 2.252 0.015 1 135 14 14 GLU HB3 H 2.142 0.015 1 136 14 14 GLU HG2 H 2.441 0.015 1 137 14 14 GLU HG3 H 2.441 0.015 1 138 14 14 GLU C C 179.865 0.25 1 139 14 14 GLU CA C 60.203 0.25 1 140 14 14 GLU CB C 29.404 0.001 1 141 14 14 GLU CG C 36.152 0.25 1 142 14 14 GLU N N 119.376 0.25 1 143 15 15 THR H H 8.558 0.015 1 144 15 15 THR HA H 3.982 0.015 1 145 15 15 THR HB H 4.229 0.015 1 146 15 15 THR HG2 H 1.264 0.015 1 147 15 15 THR C C 176.546 0.25 1 148 15 15 THR CA C 66.361 0.25 1 149 15 15 THR CB C 68.877 0.25 1 150 15 15 THR CG2 C 21.634 0.25 1 151 15 15 THR N N 117.058 0.25 1 152 16 16 ALA H H 8.071 0.015 1 153 16 16 ALA HA H 4.129 0.015 1 154 16 16 ALA HB H 1.429 0.015 1 155 16 16 ALA C C 178.889 0.25 1 156 16 16 ALA CA C 55.189 0.25 1 157 16 16 ALA CB C 20.005 0.25 1 158 16 16 ALA N N 126.028 0.25 1 159 17 17 ILE H H 8.428 0.015 1 160 17 17 ILE HA H 3.393 0.015 1 161 17 17 ILE HB H 1.813 0.015 1 162 17 17 ILE HD1 H 0.456 0.015 1 163 17 17 ILE HG12 H 1.695 0.015 1 164 17 17 ILE HG13 H 0.596 0.015 1 165 17 17 ILE HG2 H 0.838 0.015 1 166 17 17 ILE C C 177.724 0.25 1 167 17 17 ILE CA C 65.848 0.25 1 168 17 17 ILE CB C 38.605 0.25 1 169 17 17 ILE CD1 C 13.344 0.25 1 170 17 17 ILE CG1 C 31.689 0.018 1 171 17 17 ILE CG2 C 16.910 0.25 1 172 17 17 ILE N N 119.716 0.25 1 173 18 18 ALA H H 7.718 0.015 1 174 18 18 ALA HA H 4.245 0.015 1 175 18 18 ALA HB H 1.556 0.015 1 176 18 18 ALA C C 180.986 0.25 1 177 18 18 ALA CA C 55.521 0.25 1 178 18 18 ALA CB C 17.624 0.25 1 179 18 18 ALA N N 121.927 0.25 1 180 19 19 ALA H H 7.977 0.015 1 181 19 19 ALA HA H 4.243 0.015 1 182 19 19 ALA HB H 1.641 0.015 1 183 19 19 ALA C C 181.089 0.25 1 184 19 19 ALA CA C 55.360 0.25 1 185 19 19 ALA CB C 17.776 0.25 1 186 19 19 ALA N N 122.265 0.25 1 187 20 20 LEU H H 8.522 0.015 1 188 20 20 LEU HA H 3.878 0.015 1 189 20 20 LEU HB2 H 1.283 0.015 1 190 20 20 LEU HB3 H 1.819 0.015 1 191 20 20 LEU HD1 H 0.226 0.015 1 192 20 20 LEU HD2 H 0.368 0.015 1 193 20 20 LEU HG H 1.300 0.015 1 194 20 20 LEU C C 179.305 0.25 1 195 20 20 LEU CA C 57.860 0.25 1 196 20 20 LEU CB C 41.240 0.002 1 197 20 20 LEU CD1 C 22.816 0.25 1 198 20 20 LEU CD2 C 24.159 0.25 1 199 20 20 LEU CG C 28.529 0.25 1 200 20 20 LEU N N 121.882 0.25 1 201 21 21 ASN H H 8.650 0.015 1 202 21 21 ASN HA H 4.517 0.015 1 203 21 21 ASN HB2 H 2.687 0.015 1 204 21 21 ASN HB3 H 2.976 0.015 1 205 21 21 ASN HD21 H 6.591 0.015 1 206 21 21 ASN HD22 H 7.221 0.015 1 207 21 21 ASN C C 178.733 0.25 1 208 21 21 ASN CA C 56.848 0.25 1 209 21 21 ASN CB C 38.231 0.003 1 210 21 21 ASN N N 118.461 0.25 1 211 21 21 ASN ND2 N 110.692 0.036 1 212 22 22 SER H H 7.875 0.015 1 213 22 22 SER HA H 4.218 0.015 1 214 22 22 SER HB2 H 4.219 0.015 1 215 22 22 SER HB3 H 4.092 0.015 1 216 22 22 SER C C 176.198 0.25 1 217 22 22 SER CA C 62.149 0.25 1 218 22 22 SER CB C 62.648 0.001 1 219 22 22 SER N N 116.746 0.25 1 220 23 23 CYS H H 7.971 0.015 1 221 23 23 CYS HA H 4.360 0.015 1 222 23 23 CYS HB2 H 3.245 0.015 1 223 23 23 CYS HB3 H 3.245 0.015 1 224 23 23 CYS CA C 63.725 0.25 1 225 23 23 CYS CB C 26.255 0.25 1 226 23 23 CYS N N 120.412 0.25 1 227 24 24 LEU H H 8.462 0.015 1 228 24 24 LEU HA H 3.935 0.015 1 229 24 24 LEU HB2 H 1.943 0.015 1 230 24 24 LEU HB3 H 1.641 0.015 1 231 24 24 LEU HD1 H 0.994 0.015 1 232 24 24 LEU HD2 H 0.899 0.015 1 233 24 24 LEU HG H 1.613 0.015 1 234 24 24 LEU C C 178.828 0.004 1 235 24 24 LEU CA C 58.693 0.25 1 236 24 24 LEU CB C 41.567 0.001 1 237 24 24 LEU CD1 C 25.441 0.25 1 238 24 24 LEU CD2 C 25.859 0.25 1 239 24 24 LEU CG C 27.928 0.25 1 240 24 24 LEU N N 119.631 0.25 1 241 25 25 ARG H H 7.751 0.015 1 242 25 25 ARG HA H 4.219 0.015 1 243 25 25 ARG HB2 H 2.098 0.015 1 244 25 25 ARG HB3 H 2.098 0.015 1 245 25 25 ARG HD2 H 3.286 0.015 1 246 25 25 ARG HD3 H 3.286 0.015 1 247 25 25 ARG HG2 H 1.925 0.015 1 248 25 25 ARG HG3 H 1.662 0.015 1 249 25 25 ARG C C 179.460 0.25 1 250 25 25 ARG CA C 59.780 0.25 1 251 25 25 ARG CB C 29.531 0.25 1 252 25 25 ARG CD C 43.538 0.25 1 253 25 25 ARG CG C 27.351 0.003 1 254 25 25 ARG N N 119.954 0.25 1 255 26 26 ASP H H 7.890 0.015 1 256 26 26 ASP HA H 4.472 0.015 1 257 26 26 ASP HB2 H 2.976 0.015 1 258 26 26 ASP HB3 H 2.526 0.015 1 259 26 26 ASP C C 180.425 0.25 1 260 26 26 ASP CA C 57.814 0.25 1 261 26 26 ASP CB C 39.904 0.002 1 262 26 26 ASP N N 121.421 0.25 1 263 27 27 LEU H H 8.552 0.015 1 264 27 27 LEU HA H 4.021 0.015 1 265 27 27 LEU HB2 H 2.053 0.015 1 266 27 27 LEU HB3 H 1.385 0.015 1 267 27 27 LEU HD1 H 0.799 0.015 1 268 27 27 LEU HD2 H 0.948 0.015 1 269 27 27 LEU HG H 1.957 0.015 1 270 27 27 LEU C C 179.102 0.25 1 271 27 27 LEU CA C 58.351 0.25 1 272 27 27 LEU CB C 42.102 0.018 1 273 27 27 LEU CD1 C 25.210 0.25 1 274 27 27 LEU CD2 C 23.024 0.25 1 275 27 27 LEU CG C 26.890 0.25 1 276 27 27 LEU N N 122.432 0.25 1 277 28 28 ASP H H 8.713 0.015 1 278 28 28 ASP HA H 4.497 0.015 1 279 28 28 ASP HB2 H 2.904 0.015 1 280 28 28 ASP HB3 H 2.745 0.015 1 281 28 28 ASP C C 179.084 0.25 1 282 28 28 ASP CA C 57.808 0.25 1 283 28 28 ASP CB C 40.857 0.001 1 284 28 28 ASP N N 122.527 0.25 1 285 29 29 GLN H H 8.242 0.015 1 286 29 29 GLN HA H 4.067 0.015 1 287 29 29 GLN HB2 H 2.259 0.015 1 288 29 29 GLN HB3 H 2.208 0.015 1 289 29 29 GLN HG2 H 2.588 0.015 1 290 29 29 GLN HG3 H 2.489 0.015 1 291 29 29 GLN C C 179.183 0.25 1 292 29 29 GLN CA C 59.097 0.25 1 293 29 29 GLN CB C 28.441 0.001 1 294 29 29 GLN CG C 34.104 0.002 1 295 29 29 GLN N N 118.601 0.25 1 296 30 30 ALA H H 8.095 0.015 1 297 30 30 ALA HA H 4.286 0.015 1 298 30 30 ALA HB H 1.601 0.015 1 299 30 30 ALA C C 179.060 0.25 1 300 30 30 ALA CA C 55.062 0.25 1 301 30 30 ALA CB C 19.745 0.25 1 302 30 30 ALA N N 122.560 0.25 1 303 31 31 SER H H 8.472 0.015 1 304 31 31 SER HB2 H 4.136 0.015 1 305 31 31 SER HB3 H 3.987 0.015 1 306 31 31 SER CB C 62.892 0.004 1 307 31 31 SER N N 114.860 0.25 1 308 32 32 LEU H H 7.978 0.003 1 309 32 32 LEU HA H 4.149 0.015 1 310 32 32 LEU HB2 H 1.641 0.015 1 311 32 32 LEU HB3 H 1.808 0.015 1 312 32 32 LEU HD1 H 0.895 0.015 1 313 32 32 LEU HD2 H 0.895 0.015 1 314 32 32 LEU HG H 1.718 0.015 1 315 32 32 LEU C C 180.141 0.25 1 316 32 32 LEU CA C 57.825 0.25 1 317 32 32 LEU CB C 41.825 0.004 1 318 32 32 LEU CD1 C 23.846 0.25 1 319 32 32 LEU CD2 C 24.546 0.25 1 320 32 32 LEU CG C 26.937 0.25 1 321 32 32 LEU N N 122.111 0.028 1 322 33 33 ALA H H 7.882 0.015 1 323 33 33 ALA HA H 4.099 0.015 1 324 33 33 ALA HB H 1.403 0.015 1 325 33 33 ALA C C 179.652 0.25 1 326 33 33 ALA CA C 54.794 0.25 1 327 33 33 ALA CB C 17.872 0.25 1 328 33 33 ALA N N 122.460 0.25 1 329 34 34 ALA H H 8.752 0.015 1 330 34 34 ALA HA H 4.163 0.015 1 331 34 34 ALA HB H 1.554 0.015 1 332 34 34 ALA C C 182.008 0.25 1 333 34 34 ALA CA C 55.175 0.25 1 334 34 34 ALA CB C 18.082 0.25 1 335 34 34 ALA N N 122.085 0.25 1 336 35 35 VAL H H 8.361 0.015 1 337 35 35 VAL HA H 4.006 0.015 1 338 35 35 VAL HB H 2.314 0.015 1 339 35 35 VAL HG1 H 1.236 0.015 1 340 35 35 VAL HG2 H 1.116 0.015 1 341 35 35 VAL C C 177.420 0.25 1 342 35 35 VAL CA C 65.971 0.25 1 343 35 35 VAL CB C 31.748 0.25 1 344 35 35 VAL CG1 C 22.477 0.25 1 345 35 35 VAL CG2 C 21.046 0.25 1 346 35 35 VAL N N 119.028 0.25 1 347 36 36 SER H H 7.416 0.015 1 348 36 36 SER HA H 4.583 0.015 1 349 36 36 SER HB2 H 3.985 0.015 1 350 36 36 SER HB3 H 3.985 0.015 1 351 36 36 SER C C 173.197 0.25 1 352 36 36 SER CA C 58.236 0.25 1 353 36 36 SER CB C 63.667 0.25 1 354 36 36 SER N N 113.579 0.25 1 355 37 37 GLN H H 7.997 0.015 1 356 37 37 GLN HA H 4.196 0.015 1 357 37 37 GLN HB2 H 2.293 0.015 1 358 37 37 GLN HB3 H 2.293 0.015 1 359 37 37 GLN HG2 H 2.171 0.015 1 360 37 37 GLN HG3 H 2.138 0.015 1 361 37 37 GLN C C 176.074 0.25 1 362 37 37 GLN CA C 57.464 0.25 1 363 37 37 GLN CB C 25.879 0.25 1 364 37 37 GLN CG C 34.596 0.014 1 365 37 37 GLN N N 116.142 0.25 1 366 38 38 GLN H H 8.483 0.015 1 367 38 38 GLN HA H 4.535 0.015 1 368 38 38 GLN HB2 H 1.698 0.015 1 369 38 38 GLN HB3 H 2.386 0.015 1 370 38 38 GLN HE21 H 7.376 0.015 1 371 38 38 GLN HE22 H 6.764 0.015 1 372 38 38 GLN HG2 H 2.278 0.015 1 373 38 38 GLN HG3 H 2.372 0.015 1 374 38 38 GLN C C 175.638 0.25 1 375 38 38 GLN CA C 54.723 0.25 1 376 38 38 GLN CB C 30.144 0.072 1 377 38 38 GLN CG C 33.712 0.014 1 378 38 38 GLN N N 115.315 0.25 1 379 38 38 GLN NE2 N 111.510 0.010 1 380 39 39 LEU H H 7.984 0.015 1 381 39 39 LEU HA H 4.418 0.015 1 382 39 39 LEU HB2 H 1.919 0.015 1 383 39 39 LEU HB3 H 1.021 0.015 1 384 39 39 LEU HD1 H 0.855 0.015 1 385 39 39 LEU HD2 H 0.954 0.015 1 386 39 39 LEU HG H 1.264 0.015 1 387 39 39 LEU C C 174.534 0.25 1 388 39 39 LEU CA C 54.023 0.25 1 389 39 39 LEU CB C 41.146 0.002 1 390 39 39 LEU CD1 C 25.509 0.25 1 391 39 39 LEU CD2 C 23.076 0.25 1 392 39 39 LEU CG C 27.290 0.25 1 393 39 39 LEU N N 124.533 0.25 1 394 40 40 ALA H H 8.292 0.015 1 395 40 40 ALA HA H 4.573 0.015 1 396 40 40 ALA HB H 1.345 0.015 1 397 40 40 ALA C C 175.377 0.25 1 398 40 40 ALA CA C 50.440 0.25 1 399 40 40 ALA CB C 18.173 0.25 1 400 40 40 ALA N N 132.334 0.25 1 401 41 41 PRO HA H 4.170 0.015 1 402 41 41 PRO HB2 H 2.146 0.015 1 403 41 41 PRO HB3 H 1.851 0.015 1 404 41 41 PRO HD2 H 3.913 0.015 1 405 41 41 PRO HD3 H 3.647 0.015 1 406 41 41 PRO HG2 H 2.132 0.015 1 407 41 41 PRO HG3 H 2.118 0.015 1 408 41 41 PRO C C 177.652 0.25 1 409 41 41 PRO CA C 62.860 0.25 1 410 41 41 PRO CB C 32.271 0.009 1 411 41 41 PRO CD C 50.451 0.001 1 412 41 41 PRO CG C 27.465 0.25 1 413 42 42 ARG H H 8.057 0.015 1 414 42 42 ARG HA H 4.290 0.015 1 415 42 42 ARG HB2 H 1.706 0.015 1 416 42 42 ARG HB3 H 1.706 0.015 1 417 42 42 ARG HD2 H 3.193 0.015 1 418 42 42 ARG HD3 H 3.193 0.015 1 419 42 42 ARG HG2 H 1.704 0.015 1 420 42 42 ARG HG3 H 1.704 0.015 1 421 42 42 ARG C C 175.496 0.25 1 422 42 42 ARG CA C 55.693 0.25 1 423 42 42 ARG CB C 30.238 0.25 1 424 42 42 ARG CD C 43.345 0.25 1 425 42 42 ARG CG C 27.125 0.25 1 426 42 42 ARG N N 124.863 0.25 1 427 43 43 GLU H H 8.510 0.015 1 428 43 43 GLU HA H 4.399 0.015 1 429 43 43 GLU HB2 H 2.058 0.015 1 430 43 43 GLU HB3 H 1.902 0.015 1 431 43 43 GLU HG2 H 2.235 0.015 1 432 43 43 GLU HG3 H 2.315 0.015 1 433 43 43 GLU C C 177.689 0.25 1 434 43 43 GLU CA C 56.273 0.25 1 435 43 43 GLU CB C 30.918 0.012 1 436 43 43 GLU CG C 36.033 0.007 1 437 43 43 GLU N N 117.199 0.25 1 438 44 44 GLY HA2 H 4.117 0.015 1 439 44 44 GLY HA3 H 4.117 0.015 1 440 44 44 GLY C C 173.346 0.25 1 441 44 44 GLY CA C 46.069 0.25 1 442 45 45 ILE H H 7.384 0.015 1 443 45 45 ILE HA H 4.429 0.015 1 444 45 45 ILE HB H 1.747 0.015 1 445 45 45 ILE HD1 H 0.830 0.015 1 446 45 45 ILE HG12 H 1.521 0.015 1 447 45 45 ILE HG13 H 1.273 0.015 1 448 45 45 ILE HG2 H 0.788 0.015 1 449 45 45 ILE C C 173.734 0.25 1 450 45 45 ILE CA C 59.778 0.25 1 451 45 45 ILE CB C 40.234 0.25 1 452 45 45 ILE CD1 C 13.732 0.25 1 453 45 45 ILE CG1 C 27.951 0.003 1 454 45 45 ILE CG2 C 16.513 0.25 1 455 45 45 ILE N N 118.347 0.25 1 456 46 46 SER H H 8.308 0.015 1 457 46 46 SER HA H 4.522 0.015 1 458 46 46 SER HB2 H 4.362 0.015 1 459 46 46 SER HB3 H 4.023 0.015 1 460 46 46 SER C C 174.664 0.25 1 461 46 46 SER CA C 57.395 0.25 1 462 46 46 SER CB C 65.121 0.001 1 463 46 46 SER N N 120.844 0.25 1 464 47 47 GLN H H 9.004 0.015 1 465 47 47 GLN HA H 3.957 0.015 1 466 47 47 GLN HB2 H 2.034 0.015 1 467 47 47 GLN HB3 H 2.002 0.015 1 468 47 47 GLN HE21 H 7.294 0.015 1 469 47 47 GLN HE22 H 6.748 0.015 1 470 47 47 GLN HG2 H 2.082 0.015 1 471 47 47 GLN HG3 H 2.116 0.015 1 472 47 47 GLN C C 177.590 0.25 1 473 47 47 GLN CA C 59.423 0.25 1 474 47 47 GLN CB C 28.888 0.005 1 475 47 47 GLN CG C 33.401 0.001 1 476 47 47 GLN N N 121.904 0.25 1 477 47 47 GLN NE2 N 110.333 0.001 1 478 48 48 GLU H H 8.903 0.015 1 479 48 48 GLU HA H 4.110 0.015 1 480 48 48 GLU HB2 H 2.100 0.015 1 481 48 48 GLU HB3 H 1.991 0.015 1 482 48 48 GLU HG2 H 2.372 0.015 1 483 48 48 GLU C C 178.948 0.25 1 484 48 48 GLU CA C 59.938 0.25 1 485 48 48 GLU CB C 28.991 0.002 1 486 48 48 GLU CG C 36.487 0.25 1 487 48 48 GLU N N 118.525 0.25 1 488 49 49 ALA H H 7.950 0.015 1 489 49 49 ALA HA H 4.182 0.015 1 490 49 49 ALA HB H 1.513 0.015 1 491 49 49 ALA C C 180.989 0.25 1 492 49 49 ALA CA C 55.120 0.25 1 493 49 49 ALA CB C 18.052 0.25 1 494 49 49 ALA N N 123.527 0.25 1 495 50 50 LEU H H 7.818 0.015 1 496 50 50 LEU HA H 4.071 0.015 1 497 50 50 LEU HB2 H 1.420 0.015 1 498 50 50 LEU HB3 H 1.939 0.015 1 499 50 50 LEU HD1 H 0.623 0.015 1 500 50 50 LEU HD2 H 0.979 0.015 1 501 50 50 LEU HG H 1.727 0.015 1 502 50 50 LEU C C 179.310 0.25 1 503 50 50 LEU CA C 58.168 0.25 1 504 50 50 LEU CB C 41.964 0.006 1 505 50 50 LEU CD1 C 25.622 0.25 1 506 50 50 LEU CD2 C 23.258 0.25 1 507 50 50 LEU CG C 26.451 0.25 1 508 50 50 LEU N N 120.192 0.25 1 509 51 51 HIS H H 8.637 0.015 1 510 51 51 HIS HA H 4.226 0.015 1 511 51 51 HIS HB2 H 3.337 0.015 1 512 51 51 HIS HB3 H 3.204 0.015 1 513 51 51 HIS C C 178.072 0.25 1 514 51 51 HIS CA C 59.780 0.25 1 515 51 51 HIS CB C 30.095 0.001 1 516 51 51 HIS N N 119.475 0.25 1 517 52 52 THR H H 8.306 0.015 1 518 52 52 THR HA H 3.991 0.015 1 519 52 52 THR HB H 4.330 0.015 1 520 52 52 THR HG2 H 1.272 0.015 1 521 52 52 THR C C 176.925 0.25 1 522 52 52 THR CA C 67.149 0.25 1 523 52 52 THR CB C 68.633 0.25 1 524 52 52 THR CG2 C 21.807 0.25 1 525 52 52 THR N N 116.059 0.25 1 526 53 53 GLN H H 8.291 0.015 1 527 53 53 GLN HA H 4.063 0.015 1 528 53 53 GLN HB2 H 2.340 0.015 1 529 53 53 GLN HB3 H 2.041 0.015 1 530 53 53 GLN HE21 H 7.262 0.015 1 531 53 53 GLN HE22 H 6.516 0.015 1 532 53 53 GLN HG2 H 2.629 0.015 1 533 53 53 GLN HG3 H 2.340 0.015 1 534 53 53 GLN C C 179.615 0.25 1 535 53 53 GLN CA C 59.597 0.25 1 536 53 53 GLN CB C 28.568 0.028 1 537 53 53 GLN CG C 34.152 0.004 1 538 53 53 GLN N N 123.113 0.25 1 539 53 53 GLN NE2 N 108.907 0.001 1 540 54 54 MET H H 8.307 0.015 1 541 54 54 MET HA H 3.866 0.015 1 542 54 54 MET HB2 H 2.329 0.015 1 543 54 54 MET HB3 H 1.963 0.015 1 544 54 54 MET HE H 2.004 0.015 1 545 54 54 MET HG2 H 2.890 0.015 1 546 54 54 MET HG3 H 2.330 0.015 1 547 54 54 MET C C 176.935 0.25 1 548 54 54 MET CA C 60.583 0.25 1 549 54 54 MET CB C 33.985 0.25 1 550 54 54 MET CE C 18.071 0.25 1 551 54 54 MET CG C 33.950 0.008 1 552 54 54 MET N N 118.238 0.25 1 553 55 55 LEU H H 8.471 0.015 1 554 55 55 LEU HA H 3.840 0.015 1 555 55 55 LEU HB2 H 1.613 0.015 1 556 55 55 LEU HB3 H 1.789 0.015 1 557 55 55 LEU HD1 H 0.904 0.015 1 558 55 55 LEU HD2 H 0.890 0.015 1 559 55 55 LEU HG H 1.555 0.015 1 560 55 55 LEU C C 178.842 0.25 1 561 55 55 LEU CA C 58.286 0.25 1 562 55 55 LEU CB C 41.990 0.002 1 563 55 55 LEU CD1 C 25.226 0.25 1 564 55 55 LEU CD2 C 23.719 0.25 1 565 55 55 LEU CG C 27.148 0.25 1 566 55 55 LEU N N 119.353 0.25 1 567 56 56 THR H H 8.387 0.015 1 568 56 56 THR HA H 3.877 0.015 1 569 56 56 THR HB H 4.211 0.015 1 570 56 56 THR HG2 H 1.281 0.015 1 571 56 56 THR C C 175.927 0.25 1 572 56 56 THR CA C 66.645 0.25 1 573 56 56 THR CB C 69.215 0.25 1 574 56 56 THR CG2 C 21.419 0.25 1 575 56 56 THR N N 114.249 0.25 1 576 57 57 ALA H H 7.449 0.015 1 577 57 57 ALA HA H 3.947 0.015 1 578 57 57 ALA HB H 1.575 0.015 1 579 57 57 ALA C C 179.088 0.25 1 580 57 57 ALA CA C 55.658 0.25 1 581 57 57 ALA CB C 18.311 0.25 1 582 57 57 ALA N N 122.242 0.25 1 583 58 58 VAL H H 8.483 0.015 1 584 58 58 VAL HA H 3.338 0.015 1 585 58 58 VAL HB H 2.088 0.015 1 586 58 58 VAL HG1 H 0.912 0.015 1 587 58 58 VAL HG2 H 0.984 0.015 1 588 58 58 VAL C C 177.565 0.25 1 589 58 58 VAL CA C 67.215 0.25 1 590 58 58 VAL CB C 31.491 0.25 1 591 58 58 VAL CG1 C 22.720 0.25 1 592 58 58 VAL CG2 C 25.002 0.25 1 593 58 58 VAL N N 116.403 0.25 1 594 59 59 GLN H H 8.240 0.015 1 595 59 59 GLN HA H 3.786 0.015 1 596 59 59 GLN HB2 H 2.239 0.015 1 597 59 59 GLN HB3 H 1.872 0.015 1 598 59 59 GLN HG2 H 2.240 0.015 1 599 59 59 GLN HG3 H 2.461 0.015 1 600 59 59 GLN C C 178.926 0.25 1 601 59 59 GLN CA C 59.051 0.25 1 602 59 59 GLN CB C 28.281 0.006 1 603 59 59 GLN CG C 34.449 0.006 1 604 59 59 GLN N N 119.293 0.25 1 605 60 60 GLU H H 7.740 0.015 1 606 60 60 GLU HA H 3.936 0.015 1 607 60 60 GLU HB2 H 0.946 0.015 1 608 60 60 GLU HB3 H 1.193 0.015 1 609 60 60 GLU HG2 H 2.295 0.015 1 610 60 60 GLU HG3 H 2.026 0.015 1 611 60 60 GLU C C 180.255 0.25 1 612 60 60 GLU CA C 58.612 0.25 1 613 60 60 GLU CB C 27.082 0.001 1 614 60 60 GLU CG C 34.974 0.001 1 615 60 60 GLU N N 118.472 0.25 1 616 61 61 ILE H H 8.020 0.015 1 617 61 61 ILE HA H 3.432 0.015 1 618 61 61 ILE HB H 1.807 0.015 1 619 61 61 ILE HD1 H 0.259 0.015 1 620 61 61 ILE HG12 H 1.684 0.015 1 621 61 61 ILE HG13 H 0.823 0.015 1 622 61 61 ILE HG2 H 0.808 0.015 1 623 61 61 ILE C C 178.210 0.25 1 624 61 61 ILE CA C 66.321 0.25 1 625 61 61 ILE CB C 38.353 0.25 1 626 61 61 ILE CD1 C 13.991 0.25 1 627 61 61 ILE CG1 C 30.580 0.011 1 628 61 61 ILE CG2 C 17.376 0.25 1 629 61 61 ILE N N 119.799 0.25 1 630 62 62 SER H H 8.475 0.015 1 631 62 62 SER HA H 4.058 0.015 1 632 62 62 SER HB2 H 4.002 0.015 1 633 62 62 SER HB3 H 4.059 0.015 1 634 62 62 SER C C 177.425 0.25 1 635 62 62 SER CA C 60.922 0.25 1 636 62 62 SER CB C 63.124 0.004 1 637 62 62 SER N N 113.124 0.25 1 638 63 63 HIS H H 7.625 0.015 1 639 63 63 HIS HA H 4.646 0.015 1 640 63 63 HIS HB2 H 3.372 0.015 1 641 63 63 HIS HB3 H 3.265 0.015 1 642 63 63 HIS HD2 H 7.206 0.015 1 643 63 63 HIS C C 175.523 0.25 1 644 63 63 HIS CA C 56.730 0.25 1 645 63 63 HIS CB C 29.450 0.004 1 646 63 63 HIS CD2 C 120.345 0.25 1 647 63 63 HIS N N 116.424 0.25 1 648 64 64 LEU H H 7.718 0.015 1 649 64 64 LEU HA H 4.406 0.015 1 650 64 64 LEU HB2 H 1.934 0.015 1 651 64 64 LEU HB3 H 1.661 0.015 1 652 64 64 LEU HD1 H 1.001 0.015 1 653 64 64 LEU HD2 H 0.994 0.015 1 654 64 64 LEU HG H 1.796 0.015 1 655 64 64 LEU C C 176.849 0.25 1 656 64 64 LEU CA C 55.195 0.25 1 657 64 64 LEU CB C 44.612 0.001 1 658 64 64 LEU CD1 C 23.513 0.25 1 659 64 64 LEU CD2 C 25.849 0.25 1 660 64 64 LEU CG C 27.282 0.25 1 661 64 64 LEU N N 118.306 0.25 1 662 65 65 ILE H H 7.262 0.015 1 663 65 65 ILE HA H 3.334 0.015 1 664 65 65 ILE HB H 1.924 0.015 1 665 65 65 ILE HD1 H 1.017 0.015 1 666 65 65 ILE HG12 H 2.276 0.015 1 667 65 65 ILE HG13 H 2.276 0.015 1 668 65 65 ILE HG2 H 0.983 0.015 1 669 65 65 ILE C C 176.247 0.25 1 670 65 65 ILE CA C 67.704 0.25 1 671 65 65 ILE CB C 38.767 0.25 1 672 65 65 ILE CD1 C 15.076 0.25 1 673 65 65 ILE CG1 C 28.324 0.25 1 674 65 65 ILE CG2 C 18.499 0.25 1 675 65 65 ILE N N 120.804 0.25 1 676 66 66 GLU H H 8.893 0.015 1 677 66 66 GLU HA H 4.326 0.015 1 678 66 66 GLU HB2 H 2.157 0.015 1 679 66 66 GLU HB3 H 2.070 0.015 1 680 66 66 GLU HG2 H 2.226 0.015 1 681 66 66 GLU HG3 H 2.362 0.015 1 682 66 66 GLU C C 177.591 0.25 1 683 66 66 GLU CA C 60.890 0.25 1 684 66 66 GLU CB C 26.463 0.001 1 685 66 66 GLU CG C 36.322 0.002 1 686 66 66 GLU N N 117.170 0.25 1 687 67 67 PRO HA H 4.318 0.015 1 688 67 67 PRO HB2 H 2.395 0.015 1 689 67 67 PRO HB3 H 1.683 0.015 1 690 67 67 PRO HD2 H 3.616 0.015 1 691 67 67 PRO HD3 H 3.751 0.015 1 692 67 67 PRO HG2 H 2.372 0.015 1 693 67 67 PRO HG3 H 2.086 0.015 1 694 67 67 PRO C C 179.279 0.25 1 695 67 67 PRO CA C 66.125 0.25 1 696 67 67 PRO CB C 31.777 0.008 1 697 67 67 PRO CD C 50.100 0.002 1 698 67 67 PRO CG C 28.193 0.011 1 699 68 68 LEU H H 8.081 0.015 1 700 68 68 LEU HA H 3.862 0.015 1 701 68 68 LEU HB2 H 1.863 0.015 1 702 68 68 LEU HB3 H 2.004 0.015 1 703 68 68 LEU HD1 H 0.894 0.015 1 704 68 68 LEU HD2 H 0.701 0.015 1 705 68 68 LEU HG H 1.534 0.015 1 706 68 68 LEU C C 178.215 0.25 1 707 68 68 LEU CA C 60.531 0.25 1 708 68 68 LEU CB C 42.602 0.25 1 709 68 68 LEU CD1 C 28.625 0.25 1 710 68 68 LEU CD2 C 23.731 0.25 1 711 68 68 LEU CG C 29.231 0.25 1 712 68 68 LEU N N 120.817 0.25 1 713 69 69 ALA H H 8.518 0.015 1 714 69 69 ALA HA H 3.834 0.015 1 715 69 69 ALA HB H 1.457 0.015 1 716 69 69 ALA C C 179.448 0.25 1 717 69 69 ALA CA C 55.833 0.25 1 718 69 69 ALA CB C 18.266 0.25 1 719 69 69 ALA N N 122.840 0.25 1 720 70 70 SER H H 8.895 0.015 1 721 70 70 SER HA H 4.123 0.015 1 722 70 70 SER HB2 H 3.920 0.015 1 723 70 70 SER HB3 H 3.968 0.015 1 724 70 70 SER C C 177.460 0.25 1 725 70 70 SER CA C 61.851 0.25 1 726 70 70 SER CB C 62.817 0.003 1 727 70 70 SER N N 112.422 0.25 1 728 71 71 ALA H H 7.925 0.015 1 729 71 71 ALA HA H 4.227 0.015 1 730 71 71 ALA HB H 1.469 0.015 1 731 71 71 ALA C C 179.440 0.25 1 732 71 71 ALA CB C 17.248 0.25 1 733 71 71 ALA N N 124.935 0.25 1 734 72 72 ALA H H 8.349 0.015 1 735 72 72 ALA HA H 3.840 0.015 1 736 72 72 ALA HB H 1.551 0.015 1 737 72 72 ALA C C 177.922 0.25 1 738 72 72 ALA CA C 54.461 0.25 1 739 72 72 ALA CB C 18.165 0.25 1 740 72 72 ALA N N 119.062 0.25 1 741 73 73 ARG H H 7.603 0.015 1 742 73 73 ARG HA H 4.145 0.015 1 743 73 73 ARG HB2 H 1.820 0.015 1 744 73 73 ARG HB3 H 1.820 0.015 1 745 73 73 ARG HD2 H 3.218 0.015 1 746 73 73 ARG HD3 H 3.162 0.015 1 747 73 73 ARG HG2 H 1.554 0.015 1 748 73 73 ARG HG3 H 1.832 0.015 1 749 73 73 ARG C C 177.191 0.25 1 750 73 73 ARG CA C 57.742 0.25 1 751 73 73 ARG CB C 31.103 0.25 1 752 73 73 ARG CD C 43.657 0.25 1 753 73 73 ARG CG C 28.297 0.006 1 754 73 73 ARG N N 113.271 0.25 1 755 74 74 ALA H H 7.340 0.015 1 756 74 74 ALA HA H 4.563 0.015 1 757 74 74 ALA HB H 1.408 0.015 1 758 74 74 ALA C C 176.521 0.25 1 759 74 74 ALA CA C 53.559 0.25 1 760 74 74 ALA CB C 22.482 0.25 1 761 74 74 ALA N N 117.312 0.25 1 762 75 75 GLU H H 8.940 0.015 1 763 75 75 GLU HA H 4.841 0.015 1 764 75 75 GLU HB2 H 1.859 0.015 1 765 75 75 GLU HB3 H 2.159 0.015 1 766 75 75 GLU HG2 H 2.257 0.015 1 767 75 75 GLU HG3 H 2.257 0.015 1 768 75 75 GLU C C 175.496 0.25 1 769 75 75 GLU CA C 55.408 0.25 1 770 75 75 GLU CB C 31.199 0.003 1 771 75 75 GLU CG C 36.623 0.25 1 772 75 75 GLU N N 121.635 0.25 1 773 76 76 ALA H H 8.803 0.015 1 774 76 76 ALA HA H 3.915 0.015 1 775 76 76 ALA HB H 1.588 0.015 1 776 76 76 ALA C C 179.441 0.25 1 777 76 76 ALA CA C 55.808 0.25 1 778 76 76 ALA CB C 18.842 0.25 1 779 76 76 ALA N N 128.433 0.25 1 780 77 77 SER H H 8.707 0.015 1 781 77 77 SER HA H 4.202 0.015 1 782 77 77 SER HB2 H 4.030 0.015 1 783 77 77 SER HB3 H 4.030 0.015 1 784 77 77 SER C C 176.343 0.25 1 785 77 77 SER CA C 61.149 0.25 1 786 77 77 SER CB C 62.624 0.25 1 787 77 77 SER N N 111.483 0.25 1 788 78 78 GLN H H 7.741 0.015 1 789 78 78 GLN HA H 4.527 0.015 1 790 78 78 GLN HB2 H 2.354 0.015 1 791 78 78 GLN HB3 H 2.033 0.015 1 792 78 78 GLN HG2 H 2.354 0.015 1 793 78 78 GLN HG3 H 2.480 0.015 1 794 78 78 GLN C C 176.864 0.25 1 795 78 78 GLN CA C 56.172 0.25 1 796 78 78 GLN CB C 29.773 0.005 1 797 78 78 GLN CG C 33.577 0.25 1 798 78 78 GLN N N 119.308 0.25 1 799 79 79 LEU H H 7.714 0.015 1 800 79 79 LEU HA H 3.861 0.015 1 801 79 79 LEU HB2 H 1.212 0.015 1 802 79 79 LEU HB3 H 1.978 0.015 1 803 79 79 LEU HD1 H 0.818 0.015 1 804 79 79 LEU HD2 H 0.769 0.015 1 805 79 79 LEU HG H 1.357 0.015 1 806 79 79 LEU C C 177.603 0.25 1 807 79 79 LEU CA C 58.813 0.25 1 808 79 79 LEU CB C 42.087 0.003 1 809 79 79 LEU CD1 C 23.915 0.25 1 810 79 79 LEU CD2 C 25.654 0.25 1 811 79 79 LEU CG C 27.028 0.25 1 812 79 79 LEU N N 121.247 0.25 1 813 80 80 GLY H H 8.876 0.015 1 814 80 80 GLY HA2 H 3.584 0.015 1 815 80 80 GLY HA3 H 3.810 0.015 1 816 80 80 GLY C C 175.305 0.25 1 817 80 80 GLY CA C 47.521 0.002 1 818 80 80 GLY N N 104.664 0.25 1 819 81 81 HIS H H 7.920 0.015 1 820 81 81 HIS HA H 4.481 0.015 1 821 81 81 HIS HB2 H 3.239 0.015 1 822 81 81 HIS HB3 H 3.183 0.015 1 823 81 81 HIS HD2 H 7.079 0.015 1 824 81 81 HIS C C 178.029 0.25 1 825 81 81 HIS CA C 59.136 0.25 1 826 81 81 HIS CB C 30.580 0.001 1 827 81 81 HIS CD2 C 119.608 0.25 1 828 81 81 HIS N N 119.950 0.25 1 829 82 82 LYS H H 7.909 0.015 1 830 82 82 LYS HA H 4.161 0.015 1 831 82 82 LYS HB2 H 2.063 0.015 1 832 82 82 LYS HB3 H 1.671 0.015 1 833 82 82 LYS HD2 H 1.492 0.015 1 834 82 82 LYS HD3 H 1.712 0.015 1 835 82 82 LYS HE2 H 2.940 0.015 1 836 82 82 LYS HE3 H 3.049 0.015 1 837 82 82 LYS HG2 H 1.753 0.015 1 838 82 82 LYS HG3 H 1.458 0.015 1 839 82 82 LYS C C 178.824 0.25 1 840 82 82 LYS CA C 58.295 0.25 1 841 82 82 LYS CB C 31.750 0.25 1 842 82 82 LYS CD C 27.655 0.004 1 843 82 82 LYS CE C 42.374 0.001 1 844 82 82 LYS CG C 24.742 0.004 1 845 82 82 LYS N N 116.590 0.25 1 846 83 83 VAL H H 8.489 0.015 1 847 83 83 VAL HA H 3.691 0.015 1 848 83 83 VAL HB H 2.152 0.015 1 849 83 83 VAL HG1 H 0.935 0.015 1 850 83 83 VAL HG2 H 1.096 0.015 1 851 83 83 VAL C C 177.468 0.25 1 852 83 83 VAL CA C 66.506 0.25 1 853 83 83 VAL CB C 31.424 0.25 1 854 83 83 VAL CG1 C 22.094 0.25 1 855 83 83 VAL CG2 C 22.575 0.25 1 856 83 83 VAL N N 117.071 0.25 1 857 84 84 SER H H 7.980 0.015 1 858 84 84 SER HA H 4.174 0.015 1 859 84 84 SER HB2 H 3.998 0.015 1 860 84 84 SER HB3 H 3.941 0.015 1 861 84 84 SER C C 177.132 0.25 1 862 84 84 SER CA C 61.625 0.25 1 863 84 84 SER CB C 62.866 0.25 1 864 84 84 SER N N 115.209 0.25 1 865 85 85 GLN H H 8.000 0.015 1 866 85 85 GLN HA H 3.930 0.015 1 867 85 85 GLN HB2 H 2.231 0.015 1 868 85 85 GLN HB3 H 2.056 0.015 1 869 85 85 GLN HG2 H 2.371 0.015 1 870 85 85 GLN HG3 H 2.240 0.015 1 871 85 85 GLN C C 177.483 0.25 1 872 85 85 GLN CA C 58.686 0.25 1 873 85 85 GLN CB C 29.126 0.25 1 874 85 85 GLN CG C 34.425 0.003 1 875 85 85 GLN N N 120.887 0.25 1 876 86 86 MET H H 7.951 0.015 1 877 86 86 MET HA H 4.040 0.015 1 878 86 86 MET HB2 H 2.208 0.015 1 879 86 86 MET HB3 H 2.131 0.015 1 880 86 86 MET HE H 2.024 0.015 1 881 86 86 MET HG2 H 2.511 0.015 1 882 86 86 MET HG3 H 2.492 0.015 1 883 86 86 MET C C 177.554 0.25 1 884 86 86 MET CA C 59.384 0.25 1 885 86 86 MET CB C 33.457 0.008 1 886 86 86 MET CE C 17.867 0.25 1 887 86 86 MET CG C 32.756 0.25 1 888 86 86 MET N N 117.094 0.25 1 889 87 87 ALA H H 8.290 0.015 1 890 87 87 ALA HA H 3.562 0.015 1 891 87 87 ALA HB H 1.440 0.015 1 892 87 87 ALA C C 179.757 0.25 1 893 87 87 ALA CA C 54.610 0.25 1 894 87 87 ALA CB C 18.225 0.25 1 895 87 87 ALA N N 117.300 0.25 1 896 88 88 GLN H H 7.350 0.015 1 897 88 88 GLN HA H 4.082 0.015 1 898 88 88 GLN HB2 H 1.796 0.015 1 899 88 88 GLN HB3 H 1.920 0.015 1 900 88 88 GLN HG2 H 1.804 0.015 1 901 88 88 GLN HG3 H 2.213 0.015 1 902 88 88 GLN C C 177.359 0.25 1 903 88 88 GLN CA C 57.938 0.25 1 904 88 88 GLN CB C 28.175 0.003 1 905 88 88 GLN CG C 33.020 0.001 1 906 88 88 GLN N N 115.460 0.25 1 907 89 89 TYR H H 7.324 0.015 1 908 89 89 TYR HA H 4.356 0.015 1 909 89 89 TYR HB2 H 3.094 0.015 1 910 89 89 TYR HB3 H 2.637 0.015 1 911 89 89 TYR HD1 H 7.195 0.015 3 912 89 89 TYR HD2 H 7.195 0.015 3 913 89 89 TYR HE1 H 6.767 0.015 3 914 89 89 TYR HE2 H 6.767 0.015 3 915 89 89 TYR C C 177.002 0.25 1 916 89 89 TYR CA C 60.408 0.25 1 917 89 89 TYR CB C 39.656 0.005 1 918 89 89 TYR CD1 C 133.136 0.25 3 919 89 89 TYR CD2 C 133.136 0.25 3 920 89 89 TYR CE1 C 118.874 0.25 3 921 89 89 TYR CE2 C 118.874 0.25 3 922 89 89 TYR N N 115.061 0.25 1 923 90 90 PHE H H 7.614 0.015 1 924 90 90 PHE HA H 4.264 0.015 1 925 90 90 PHE HB2 H 3.123 0.015 1 926 90 90 PHE HB3 H 3.381 0.015 1 927 90 90 PHE HD1 H 7.288 0.015 3 928 90 90 PHE HD2 H 7.288 0.015 3 929 90 90 PHE HE1 H 7.065 0.015 3 930 90 90 PHE HE2 H 7.065 0.015 3 931 90 90 PHE HZ H 6.992 0.015 1 932 90 90 PHE C C 177.725 0.25 1 933 90 90 PHE CA C 61.913 0.25 1 934 90 90 PHE CB C 38.248 0.005 1 935 90 90 PHE CD1 C 130.938 0.25 3 936 90 90 PHE CD2 C 130.938 0.25 3 937 90 90 PHE CE1 C 131.002 0.25 3 938 90 90 PHE CE2 C 131.002 0.25 3 939 90 90 PHE CZ C 129.075 0.25 1 940 90 90 PHE N N 117.647 0.25 1 941 91 91 GLU H H 8.892 0.015 1 942 91 91 GLU HA H 4.426 0.015 1 943 91 91 GLU HB2 H 2.229 0.015 1 944 91 91 GLU HB3 H 2.196 0.015 1 945 91 91 GLU HG2 H 2.345 0.015 1 946 91 91 GLU HG3 H 2.190 0.015 1 947 91 91 GLU C C 175.692 0.25 1 948 91 91 GLU CA C 61.844 0.25 1 949 91 91 GLU CB C 26.871 0.002 1 950 91 91 GLU CG C 36.887 0.011 1 951 91 91 GLU N N 122.462 0.25 1 952 92 92 PRO HA H 4.363 0.015 1 953 92 92 PRO HB2 H 2.383 0.015 1 954 92 92 PRO HB3 H 1.892 0.015 1 955 92 92 PRO HD2 H 3.933 0.015 1 956 92 92 PRO HD3 H 3.673 0.015 1 957 92 92 PRO HG2 H 2.315 0.015 1 958 92 92 PRO HG3 H 2.138 0.015 1 959 92 92 PRO C C 179.921 0.25 1 960 92 92 PRO CA C 66.000 0.25 1 961 92 92 PRO CB C 30.832 0.002 1 962 92 92 PRO CD C 50.090 0.001 1 963 92 92 PRO CG C 27.826 0.002 1 964 93 93 LEU H H 7.418 0.015 1 965 93 93 LEU HA H 3.974 0.015 1 966 93 93 LEU HB2 H 2.034 0.015 1 967 93 93 LEU HB3 H 1.531 0.015 1 968 93 93 LEU HD1 H 0.699 0.015 1 969 93 93 LEU HD2 H 0.989 0.015 1 970 93 93 LEU C C 176.916 0.25 1 971 93 93 LEU CA C 58.888 0.25 1 972 93 93 LEU CB C 41.998 0.005 1 973 93 93 LEU CD1 C 26.802 0.25 1 974 93 93 LEU CD2 C 24.214 0.25 1 975 93 93 LEU N N 117.535 0.25 1 976 94 94 THR H H 8.160 0.015 1 977 94 94 THR HA H 3.703 0.015 1 978 94 94 THR HB H 4.474 0.015 1 979 94 94 THR HG2 H 1.314 0.015 1 980 94 94 THR C C 175.916 0.25 1 981 94 94 THR CA C 68.648 0.25 1 982 94 94 THR CB C 68.590 0.25 1 983 94 94 THR CG2 C 21.232 0.25 1 984 94 94 THR N N 116.255 0.25 1 985 95 95 LEU H H 8.199 0.015 1 986 95 95 LEU HA H 4.087 0.015 1 987 95 95 LEU HB2 H 1.758 0.015 1 988 95 95 LEU HB3 H 1.591 0.015 1 989 95 95 LEU HD1 H 0.915 0.015 1 990 95 95 LEU HD2 H 0.904 0.015 1 991 95 95 LEU HG H 1.698 0.015 1 992 95 95 LEU C C 180.957 0.25 1 993 95 95 LEU CA C 58.100 0.25 1 994 95 95 LEU CB C 42.332 0.002 1 995 95 95 LEU CD1 C 24.784 0.25 1 996 95 95 LEU CD2 C 23.944 0.25 1 997 95 95 LEU CG C 26.922 0.25 1 998 95 95 LEU N N 120.592 0.25 1 999 96 96 ALA H H 8.090 0.015 1 1000 96 96 ALA HA H 4.208 0.015 1 1001 96 96 ALA HB H 1.571 0.015 1 1002 96 96 ALA C C 178.261 0.25 1 1003 96 96 ALA CA C 54.799 0.015 1 1004 96 96 ALA CB C 18.537 0.25 1 1005 96 96 ALA N N 122.059 0.25 1 1006 97 97 ALA H H 8.781 0.015 1 1007 97 97 ALA HA H 4.643 0.015 1 1008 97 97 ALA HB H 1.559 0.015 1 1009 97 97 ALA C C 180.072 0.25 1 1010 97 97 ALA CA C 55.875 0.25 1 1011 97 97 ALA CB C 19.795 0.25 1 1012 97 97 ALA N N 122.266 0.25 1 1013 98 98 VAL H H 8.198 0.015 1 1014 98 98 VAL HA H 3.493 0.015 1 1015 98 98 VAL HB H 2.091 0.015 1 1016 98 98 VAL HG1 H 1.042 0.015 1 1017 98 98 VAL HG2 H 0.978 0.015 1 1018 98 98 VAL C C 178.989 0.25 1 1019 98 98 VAL CA C 67.486 0.25 1 1020 98 98 VAL CB C 31.909 0.25 1 1021 98 98 VAL CG1 C 22.526 0.25 1 1022 98 98 VAL CG2 C 21.608 0.25 1 1023 98 98 VAL N N 116.877 0.25 1 1024 99 99 GLY H H 8.033 0.015 1 1025 99 99 GLY HA2 H 3.733 0.015 1 1026 99 99 GLY HA3 H 3.733 0.015 1 1027 99 99 GLY C C 176.942 0.25 1 1028 99 99 GLY CA C 47.619 0.25 1 1029 99 99 GLY N N 106.312 0.25 1 1030 100 100 ALA H H 9.772 0.015 1 1031 100 100 ALA HA H 4.070 0.015 1 1032 100 100 ALA HB H 1.436 0.015 1 1033 100 100 ALA C C 181.802 0.25 1 1034 100 100 ALA CA C 55.657 0.25 1 1035 100 100 ALA CB C 18.305 0.25 1 1036 100 100 ALA N N 127.199 0.25 1 1037 101 101 ALA H H 9.075 0.015 1 1038 101 101 ALA HB H 1.588 0.015 1 1039 101 101 ALA C C 180.471 0.25 1 1040 101 101 ALA CB C 17.961 0.25 1 1041 101 101 ALA N N 122.631 0.25 1 1042 102 102 SER H H 8.424 0.015 1 1043 102 102 SER HA H 4.055 0.015 1 1044 102 102 SER HB2 H 4.233 0.015 1 1045 102 102 SER HB3 H 4.233 0.015 1 1046 102 102 SER C C 174.116 0.25 1 1047 102 102 SER CA C 61.476 0.25 1 1048 102 102 SER N N 115.093 0.25 1 1049 103 103 LYS H H 7.070 0.015 1 1050 103 103 LYS HA H 4.435 0.015 1 1051 103 103 LYS HB2 H 2.146 0.015 1 1052 103 103 LYS HB3 H 1.642 0.015 1 1053 103 103 LYS HD2 H 1.573 0.015 1 1054 103 103 LYS HD3 H 1.710 0.015 1 1055 103 103 LYS HE2 H 3.048 0.015 1 1056 103 103 LYS HE3 H 3.048 0.015 1 1057 103 103 LYS HG2 H 1.566 0.015 1 1058 103 103 LYS HG3 H 1.487 0.015 1 1059 103 103 LYS C C 175.733 0.25 1 1060 103 103 LYS CA C 55.771 0.25 1 1061 103 103 LYS CB C 32.993 0.001 1 1062 103 103 LYS CD C 28.769 0.003 1 1063 103 103 LYS CE C 41.849 0.25 1 1064 103 103 LYS CG C 24.767 0.002 1 1065 103 103 LYS N N 119.825 0.25 1 1066 104 104 THR H H 7.440 0.015 1 1067 104 104 THR HA H 4.319 0.015 1 1068 104 104 THR HB H 4.325 0.015 1 1069 104 104 THR HG2 H 1.336 0.015 1 1070 104 104 THR C C 173.923 0.25 1 1071 104 104 THR CA C 62.819 0.25 1 1072 104 104 THR CB C 69.431 0.25 1 1073 104 104 THR CG2 C 21.266 0.25 1 1074 104 104 THR N N 117.069 0.25 1 1075 105 105 LEU H H 8.480 0.015 1 1076 105 105 LEU HA H 4.233 0.015 1 1077 105 105 LEU HB2 H 1.721 0.015 1 1078 105 105 LEU HB3 H 1.664 0.015 1 1079 105 105 LEU HD1 H 0.886 0.015 1 1080 105 105 LEU HD2 H 0.985 0.015 1 1081 105 105 LEU C C 177.796 0.25 1 1082 105 105 LEU CA C 56.389 0.25 1 1083 105 105 LEU CB C 41.969 0.003 1 1084 105 105 LEU CD1 C 22.970 0.25 1 1085 105 105 LEU CD2 C 24.981 0.25 1 1086 105 105 LEU N N 126.801 0.25 1 1087 106 106 SER H H 7.686 0.015 1 1088 106 106 SER HA H 4.651 0.015 1 1089 106 106 SER HB2 H 3.971 0.015 1 1090 106 106 SER HB3 H 3.843 0.015 1 1091 106 106 SER C C 175.068 0.25 1 1092 106 106 SER CA C 56.592 0.25 1 1093 106 106 SER CB C 63.132 0.002 1 1094 106 106 SER N N 113.482 0.25 1 1095 108 108 PRO HA H 4.200 0.015 1 1096 108 108 PRO HB2 H 2.334 0.015 1 1097 108 108 PRO HB3 H 1.799 0.015 1 1098 108 108 PRO HD2 H 4.092 0.015 1 1099 108 108 PRO HD3 H 3.825 0.015 1 1100 108 108 PRO HG2 H 2.130 0.015 1 1101 108 108 PRO HG3 H 2.037 0.015 1 1102 108 108 PRO C C 179.877 0.25 1 1103 108 108 PRO CA C 66.205 0.25 1 1104 108 108 PRO CB C 30.843 0.25 1 1105 108 108 PRO CD C 50.092 0.001 1 1106 108 108 PRO CG C 28.356 0.002 1 1107 109 109 GLN H H 7.253 0.015 1 1108 109 109 GLN HA H 4.171 0.015 1 1109 109 109 GLN HB2 H 2.127 0.015 1 1110 109 109 GLN HB3 H 2.127 0.015 1 1111 109 109 GLN HG2 H 2.396 0.015 1 1112 109 109 GLN HG3 H 2.396 0.015 1 1113 109 109 GLN C C 177.750 0.25 1 1114 109 109 GLN CA C 58.809 0.25 1 1115 109 109 GLN CB C 28.802 0.25 1 1116 109 109 GLN CG C 34.399 0.25 1 1117 109 109 GLN N N 117.476 0.25 1 1118 110 110 GLN H H 8.330 0.015 1 1119 110 110 GLN HA H 3.810 0.015 1 1120 110 110 GLN HB2 H 2.311 0.015 1 1121 110 110 GLN HB3 H 2.410 0.015 1 1122 110 110 GLN HE21 H 6.836 0.015 1 1123 110 110 GLN HE22 H 7.480 0.015 1 1124 110 110 GLN HG2 H 2.514 0.015 1 1125 110 110 GLN HG3 H 2.148 0.015 1 1126 110 110 GLN C C 176.975 0.25 1 1127 110 110 GLN CA C 60.133 0.25 1 1128 110 110 GLN CB C 30.401 0.002 1 1129 110 110 GLN CG C 34.619 0.001 1 1130 110 110 GLN N N 122.252 0.25 1 1131 110 110 GLN NE2 N 110.815 0.005 1 1132 111 111 MET H H 7.878 0.015 1 1133 111 111 MET HA H 4.279 0.015 1 1134 111 111 MET HB2 H 2.040 0.015 1 1135 111 111 MET HB3 H 1.900 0.015 1 1136 111 111 MET HE H 2.009 0.015 1 1137 111 111 MET HG2 H 2.417 0.015 1 1138 111 111 MET HG3 H 2.117 0.015 1 1139 111 111 MET C C 178.353 0.25 1 1140 111 111 MET CA C 56.603 0.25 1 1141 111 111 MET CB C 30.350 0.002 1 1142 111 111 MET CE C 16.097 0.25 1 1143 111 111 MET CG C 31.471 0.004 1 1144 111 111 MET N N 113.437 0.25 1 1145 112 112 ALA H H 7.973 0.015 1 1146 112 112 ALA HA H 4.247 0.015 1 1147 112 112 ALA HB H 1.460 0.015 1 1148 112 112 ALA C C 179.646 0.25 1 1149 112 112 ALA CA C 55.401 0.25 1 1150 112 112 ALA CB C 18.227 0.25 1 1151 112 112 ALA N N 122.062 0.25 1 1152 113 113 LEU H H 7.761 0.015 1 1153 113 113 LEU HA H 3.895 0.015 1 1154 113 113 LEU HB2 H 1.881 0.015 1 1155 113 113 LEU HB3 H 1.494 0.015 1 1156 113 113 LEU HD1 H 0.818 0.015 1 1157 113 113 LEU HD2 H 0.849 0.015 1 1158 113 113 LEU HG H 1.657 0.015 1 1159 113 113 LEU C C 180.224 0.25 1 1160 113 113 LEU CA C 58.543 0.25 1 1161 113 113 LEU CB C 42.710 0.003 1 1162 113 113 LEU CD1 C 24.620 0.25 1 1163 113 113 LEU CD2 C 24.936 0.25 1 1164 113 113 LEU CG C 27.190 0.25 1 1165 113 113 LEU N N 116.470 0.25 1 1166 114 114 LEU H H 7.420 0.015 1 1167 114 114 LEU HA H 3.977 0.015 1 1168 114 114 LEU HB2 H 2.036 0.015 1 1169 114 114 LEU HB3 H 1.395 0.015 1 1170 114 114 LEU HD1 H 0.754 0.015 1 1171 114 114 LEU HD2 H 0.777 0.015 1 1172 114 114 LEU HG H 1.815 0.015 1 1173 114 114 LEU C C 178.561 0.25 1 1174 114 114 LEU CA C 58.434 0.25 1 1175 114 114 LEU CB C 41.710 0.008 1 1176 114 114 LEU CD1 C 23.200 0.25 1 1177 114 114 LEU CD2 C 25.674 0.25 1 1178 114 114 LEU CG C 26.703 0.25 1 1179 114 114 LEU N N 118.963 0.25 1 1180 115 115 ASP H H 9.185 0.015 1 1181 115 115 ASP HA H 4.422 0.015 1 1182 115 115 ASP HB2 H 2.854 0.015 1 1183 115 115 ASP HB3 H 2.660 0.015 1 1184 115 115 ASP C C 179.805 0.25 1 1185 115 115 ASP CA C 57.939 0.25 1 1186 115 115 ASP CB C 40.579 0.003 1 1187 115 115 ASP N N 120.845 0.25 1 1188 116 116 GLN H H 8.834 0.015 1 1189 116 116 GLN HA H 4.191 0.015 1 1190 116 116 GLN HB2 H 2.251 0.015 1 1191 116 116 GLN HB3 H 2.120 0.015 1 1192 116 116 GLN HE21 H 7.204 0.015 1 1193 116 116 GLN HE22 H 6.326 0.015 1 1194 116 116 GLN HG2 H 2.796 0.015 1 1195 116 116 GLN HG3 H 2.479 0.015 1 1196 116 116 GLN C C 180.691 0.25 1 1197 116 116 GLN CA C 59.195 0.25 1 1198 116 116 GLN CB C 28.889 0.001 1 1199 116 116 GLN CG C 35.162 0.003 1 1200 116 116 GLN N N 117.868 0.25 1 1201 116 116 GLN NE2 N 107.071 0.001 1 1202 117 117 THR H H 7.902 0.015 1 1203 117 117 THR HA H 3.918 0.015 1 1204 117 117 THR HB H 4.245 0.015 1 1205 117 117 THR HG2 H 1.134 0.015 1 1206 117 117 THR C C 175.921 0.25 1 1207 117 117 THR CA C 68.593 0.25 1 1208 117 117 THR CB C 67.017 0.25 1 1209 117 117 THR CG2 C 21.904 0.25 1 1210 117 117 THR N N 120.489 0.25 1 1211 118 118 LYS H H 8.630 0.015 1 1212 118 118 LYS HA H 3.846 0.015 1 1213 118 118 LYS HB2 H 1.922 0.015 1 1214 118 118 LYS HB3 H 2.202 0.015 1 1215 118 118 LYS HD2 H 1.707 0.015 1 1216 118 118 LYS HD3 H 1.707 0.015 1 1217 118 118 LYS HE2 H 2.958 0.015 1 1218 118 118 LYS HE3 H 2.939 0.015 1 1219 118 118 LYS HG2 H 1.369 0.015 1 1220 118 118 LYS HG3 H 1.495 0.015 1 1221 118 118 LYS C C 178.256 0.25 1 1222 118 118 LYS CA C 60.906 0.25 1 1223 118 118 LYS CB C 31.841 0.001 1 1224 118 118 LYS CD C 29.668 0.25 1 1225 118 118 LYS CE C 41.956 0.25 1 1226 118 118 LYS CG C 25.756 0.003 1 1227 118 118 LYS N N 124.145 0.25 1 1228 119 119 THR H H 8.713 0.015 1 1229 119 119 THR HA H 4.071 0.015 1 1230 119 119 THR HB H 4.188 0.015 1 1231 119 119 THR HG2 H 1.313 0.015 1 1232 119 119 THR C C 177.384 0.25 1 1233 119 119 THR CA C 67.017 0.25 1 1234 119 119 THR CB C 68.524 0.25 1 1235 119 119 THR CG2 C 22.181 0.25 1 1236 119 119 THR N N 116.795 0.25 1 1237 120 120 LEU H H 7.742 0.015 1 1238 120 120 LEU HA H 4.124 0.015 1 1239 120 120 LEU HB2 H 1.491 0.015 1 1240 120 120 LEU HB3 H 2.376 0.015 1 1241 120 120 LEU HD1 H 1.060 0.015 1 1242 120 120 LEU HD2 H 0.914 0.015 1 1243 120 120 LEU HG H 1.766 0.015 1 1244 120 120 LEU C C 177.979 0.25 1 1245 120 120 LEU CA C 58.895 0.25 1 1246 120 120 LEU CB C 41.227 0.006 1 1247 120 120 LEU CD1 C 26.157 0.25 1 1248 120 120 LEU CD2 C 27.019 0.25 1 1249 120 120 LEU CG C 27.808 0.25 1 1250 120 120 LEU N N 123.658 0.25 1 1251 121 121 ALA H H 8.497 0.015 1 1252 121 121 ALA HA H 3.851 0.015 1 1253 121 121 ALA HB H 1.335 0.015 1 1254 121 121 ALA C C 178.830 0.25 1 1255 121 121 ALA CA C 55.721 0.25 1 1256 121 121 ALA CB C 17.104 0.25 1 1257 121 121 ALA N N 123.000 0.25 1 1258 122 122 GLU H H 9.237 0.015 1 1259 122 122 GLU HA H 3.962 0.015 1 1260 122 122 GLU HB2 H 2.272 0.015 1 1261 122 122 GLU HB3 H 2.052 0.015 1 1262 122 122 GLU HG2 H 2.560 0.015 1 1263 122 122 GLU HG3 H 2.217 0.015 1 1264 122 122 GLU C C 180.410 0.25 1 1265 122 122 GLU CA C 60.100 0.25 1 1266 122 122 GLU CB C 29.850 0.002 1 1267 122 122 GLU CG C 37.725 0.001 1 1268 122 122 GLU N N 118.006 0.25 1 1269 123 123 SER H H 8.538 0.015 1 1270 123 123 SER HA H 4.327 0.015 1 1271 123 123 SER HB2 H 4.082 0.015 1 1272 123 123 SER HB3 H 3.834 0.015 1 1273 123 123 SER C C 176.504 0.25 1 1274 123 123 SER CA C 62.758 0.25 1 1275 123 123 SER CB C 62.604 0.25 1 1276 123 123 SER N N 118.002 0.25 1 1277 124 124 ALA H H 8.480 0.015 1 1278 124 124 ALA HA H 4.500 0.015 1 1279 124 124 ALA HB H 1.277 0.015 1 1280 124 124 ALA C C 179.053 0.25 1 1281 124 124 ALA CA C 55.208 0.25 1 1282 124 124 ALA CB C 18.731 0.25 1 1283 124 124 ALA N N 128.363 0.25 1 1284 125 125 LEU H H 8.121 0.015 1 1285 125 125 LEU HA H 3.729 0.015 1 1286 125 125 LEU HB2 H 1.756 0.015 1 1287 125 125 LEU HB3 H 1.756 0.015 1 1288 125 125 LEU HD1 H 0.927 0.015 1 1289 125 125 LEU HD2 H 0.833 0.015 1 1290 125 125 LEU HG H 1.548 0.015 1 1291 125 125 LEU C C 177.753 0.25 1 1292 125 125 LEU CA C 58.531 0.25 1 1293 125 125 LEU CB C 41.972 0.25 1 1294 125 125 LEU CD1 C 26.132 0.25 1 1295 125 125 LEU CD2 C 25.692 0.25 1 1296 125 125 LEU CG C 27.109 0.25 1 1297 125 125 LEU N N 120.275 0.25 1 1298 126 126 GLN H H 7.607 0.015 1 1299 126 126 GLN HA H 4.271 0.015 1 1300 126 126 GLN HB2 H 2.253 0.015 1 1301 126 126 GLN HB3 H 2.253 0.015 1 1302 126 126 GLN HE21 H 7.710 0.015 1 1303 126 126 GLN HE22 H 6.769 0.015 1 1304 126 126 GLN HG2 H 2.573 0.015 1 1305 126 126 GLN HG3 H 2.442 0.015 1 1306 126 126 GLN C C 179.618 0.25 1 1307 126 126 GLN CA C 58.754 0.25 1 1308 126 126 GLN CB C 27.726 0.25 1 1309 126 126 GLN CG C 33.134 0.003 1 1310 126 126 GLN N N 116.810 0.25 1 1311 126 126 GLN NE2 N 111.506 0.033 1 1312 127 127 LEU H H 8.148 0.015 1 1313 127 127 LEU HA H 3.996 0.015 1 1314 127 127 LEU HB2 H 1.350 0.015 1 1315 127 127 LEU HB3 H 2.337 0.015 1 1316 127 127 LEU HD1 H 1.025 0.015 1 1317 127 127 LEU HD2 H 0.876 0.015 1 1318 127 127 LEU HG H 1.490 0.015 1 1319 127 127 LEU C C 177.491 0.25 1 1320 127 127 LEU CA C 58.453 0.25 1 1321 127 127 LEU CB C 41.128 0.001 1 1322 127 127 LEU CD1 C 27.915 0.25 1 1323 127 127 LEU CD2 C 24.179 0.25 1 1324 127 127 LEU CG C 27.411 0.25 1 1325 127 127 LEU N N 121.479 0.25 1 1326 128 128 LEU H H 8.684 0.015 1 1327 128 128 LEU HA H 3.954 0.015 1 1328 128 128 LEU HB2 H 1.962 0.015 1 1329 128 128 LEU HB3 H 1.174 0.015 1 1330 128 128 LEU HD1 H 0.797 0.015 1 1331 128 128 LEU HD2 H 0.870 0.015 1 1332 128 128 LEU HG H 1.961 0.015 1 1333 128 128 LEU C C 179.401 0.25 1 1334 128 128 LEU CA C 58.584 0.25 1 1335 128 128 LEU CB C 41.480 0.008 1 1336 128 128 LEU CD1 C 26.625 0.25 1 1337 128 128 LEU CD2 C 24.082 0.25 1 1338 128 128 LEU CG C 27.392 0.25 1 1339 128 128 LEU N N 119.840 0.25 1 1340 129 129 TYR H H 8.884 0.015 1 1341 129 129 TYR HA H 4.215 0.015 1 1342 129 129 TYR HB2 H 3.075 0.015 1 1343 129 129 TYR HB3 H 3.157 0.015 1 1344 129 129 TYR HD1 H 7.166 0.015 3 1345 129 129 TYR HD2 H 7.166 0.015 3 1346 129 129 TYR HE1 H 6.807 0.015 3 1347 129 129 TYR HE2 H 6.807 0.015 3 1348 129 129 TYR C C 179.922 0.25 1 1349 129 129 TYR CA C 62.150 0.25 1 1350 129 129 TYR CB C 37.978 0.25 1 1351 129 129 TYR CD1 C 132.699 0.25 3 1352 129 129 TYR CD2 C 132.699 0.25 3 1353 129 129 TYR CE1 C 118.068 0.25 3 1354 129 129 TYR CE2 C 118.068 0.25 3 1355 129 129 TYR N N 118.294 0.25 1 1356 130 130 THR H H 8.103 0.015 1 1357 130 130 THR HA H 4.071 0.015 1 1358 130 130 THR HB H 4.113 0.015 1 1359 130 130 THR HG2 H 1.270 0.015 1 1360 130 130 THR C C 177.128 0.25 1 1361 130 130 THR CA C 66.217 0.25 1 1362 130 130 THR CB C 68.769 0.25 1 1363 130 130 THR CG2 C 23.055 0.25 1 1364 130 130 THR N N 113.990 0.25 1 1365 131 131 ALA H H 9.210 0.015 1 1366 131 131 ALA HA H 3.954 0.015 1 1367 131 131 ALA HB H 1.351 0.015 1 1368 131 131 ALA C C 178.751 0.25 1 1369 131 131 ALA CA C 55.309 0.25 1 1370 131 131 ALA CB C 18.124 0.25 1 1371 131 131 ALA N N 125.858 0.25 1 1372 132 132 LYS H H 8.404 0.015 1 1373 132 132 LYS HA H 3.973 0.015 1 1374 132 132 LYS HB2 H 1.932 0.015 1 1375 132 132 LYS HB3 H 2.084 0.015 1 1376 132 132 LYS HD2 H 1.583 0.015 1 1377 132 132 LYS HD3 H 1.661 0.015 1 1378 132 132 LYS HE2 H 3.088 0.015 1 1379 132 132 LYS HE3 H 2.996 0.015 1 1380 132 132 LYS HG2 H 1.624 0.015 1 1381 132 132 LYS HG3 H 1.405 0.015 1 1382 132 132 LYS C C 178.449 0.25 1 1383 132 132 LYS CA C 59.724 0.25 1 1384 132 132 LYS CB C 32.921 0.006 1 1385 132 132 LYS CD C 30.075 0.002 1 1386 132 132 LYS CE C 41.860 0.003 1 1387 132 132 LYS CG C 25.076 0.25 1 1388 132 132 LYS N N 118.249 0.25 1 1389 133 133 GLU H H 7.386 0.015 1 1390 133 133 GLU HA H 4.085 0.015 1 1391 133 133 GLU HB2 H 2.163 0.015 1 1392 133 133 GLU HB3 H 2.163 0.015 1 1393 133 133 GLU HG2 H 2.341 0.015 1 1394 133 133 GLU HG3 H 2.341 0.015 1 1395 133 133 GLU C C 178.122 0.25 1 1396 133 133 GLU CA C 58.481 0.25 1 1397 133 133 GLU CB C 29.755 0.25 1 1398 133 133 GLU CG C 36.142 0.25 1 1399 133 133 GLU N N 117.938 0.25 1 1400 134 134 ALA H H 8.071 0.015 1 1401 134 134 ALA HA H 4.039 0.015 1 1402 134 134 ALA HB H 1.501 0.015 1 1403 134 134 ALA C C 180.691 0.25 1 1404 134 134 ALA CA C 55.306 0.25 1 1405 134 134 ALA CB C 18.849 0.25 1 1406 134 134 ALA N N 122.511 0.25 1 1407 135 135 GLY H H 8.552 0.015 1 1408 135 135 GLY HA2 H 3.644 0.015 1 1409 135 135 GLY HA3 H 3.784 0.015 1 1410 135 135 GLY C C 174.863 0.25 1 1411 135 135 GLY CA C 46.801 0.003 1 1412 135 135 GLY N N 101.580 0.25 1 1413 136 136 GLY H H 8.440 0.015 1 1414 136 136 GLY HA2 H 3.769 0.015 1 1415 136 136 GLY HA3 H 3.769 0.015 1 1416 136 136 GLY C C 173.035 0.25 1 1417 136 136 GLY CA C 45.537 0.25 1 1418 136 136 GLY N N 108.583 0.25 1 1419 137 137 ASN H H 7.646 0.015 1 1420 137 137 ASN HA H 5.022 0.015 1 1421 137 137 ASN HB2 H 2.837 0.015 1 1422 137 137 ASN HB3 H 3.084 0.015 1 1423 137 137 ASN HD21 H 6.986 0.015 1 1424 137 137 ASN HD22 H 7.726 0.015 1 1425 137 137 ASN C C 174.093 0.25 1 1426 137 137 ASN CA C 50.617 0.25 1 1427 137 137 ASN CB C 39.693 0.005 1 1428 137 137 ASN N N 117.410 0.25 1 1429 137 137 ASN ND2 N 112.764 0.001 1 1430 138 138 PRO HA H 4.584 0.015 1 1431 138 138 PRO HB2 H 2.050 0.015 1 1432 138 138 PRO HB3 H 2.442 0.015 1 1433 138 138 PRO HD2 H 4.062 0.015 1 1434 138 138 PRO HD3 H 3.938 0.015 1 1435 138 138 PRO HG2 H 2.140 0.015 1 1436 138 138 PRO HG3 H 2.140 0.015 1 1437 138 138 PRO C C 177.898 0.25 1 1438 138 138 PRO CA C 64.499 0.25 1 1439 138 138 PRO CB C 32.424 0.002 1 1440 138 138 PRO CD C 51.079 0.001 1 1441 138 138 PRO CG C 27.444 0.25 1 1442 139 139 LYS H H 8.076 0.015 1 1443 139 139 LYS HA H 4.365 0.015 1 1444 139 139 LYS HB2 H 1.949 0.015 1 1445 139 139 LYS HB3 H 1.812 0.015 1 1446 139 139 LYS HD2 H 1.741 0.015 1 1447 139 139 LYS HD3 H 1.741 0.015 1 1448 139 139 LYS HE2 H 3.050 0.015 1 1449 139 139 LYS HE3 H 3.050 0.015 1 1450 139 139 LYS HG2 H 1.436 0.015 1 1451 139 139 LYS HG3 H 1.522 0.015 1 1452 139 139 LYS C C 176.951 0.25 1 1453 139 139 LYS CA C 56.663 0.25 1 1454 139 139 LYS CB C 31.998 0.006 1 1455 139 139 LYS CD C 29.030 0.25 1 1456 139 139 LYS CE C 42.233 0.25 1 1457 139 139 LYS CG C 25.127 0.001 1 1458 139 139 LYS N N 118.574 0.25 1 1459 140 140 GLN H H 7.931 0.015 1 1460 140 140 GLN HA H 4.384 0.015 1 1461 140 140 GLN HB2 H 2.304 0.015 1 1462 140 140 GLN HB3 H 2.145 0.015 1 1463 140 140 GLN HG2 H 2.398 0.015 1 1464 140 140 GLN HG3 H 2.461 0.015 1 1465 140 140 GLN C C 176.546 0.25 1 1466 140 140 GLN CA C 55.998 0.25 1 1467 140 140 GLN CB C 30.154 0.007 1 1468 140 140 GLN CG C 34.000 0.001 1 1469 140 140 GLN N N 119.701 0.25 1 1470 141 141 ALA H H 8.473 0.015 1 1471 141 141 ALA HA H 4.262 0.015 1 1472 141 141 ALA HB H 1.491 0.015 1 1473 141 141 ALA C C 178.718 0.25 1 1474 141 141 ALA CA C 53.110 0.25 1 1475 141 141 ALA CB C 19.337 0.25 1 1476 141 141 ALA N N 124.095 0.25 1 1477 142 142 ALA H H 8.401 0.015 1 1478 142 142 ALA HA H 4.182 0.015 1 1479 142 142 ALA HB H 1.480 0.015 1 1480 142 142 ALA C C 179.831 0.25 1 1481 142 142 ALA CA C 55.070 0.25 1 1482 142 142 ALA CB C 18.260 0.25 1 1483 142 142 ALA N N 122.519 0.25 1 1484 143 143 HIS HA H 4.621 0.015 1 1485 143 143 HIS HB2 H 3.271 0.015 1 1486 143 143 HIS HB3 H 3.271 0.015 1 1487 143 143 HIS C C 176.970 0.25 1 1488 143 143 HIS CA C 58.188 0.25 1 1489 143 143 HIS CB C 29.293 0.25 1 1490 144 144 THR H H 7.340 0.015 1 1491 144 144 THR HA H 4.181 0.015 1 1492 144 144 THR HB H 4.220 0.015 1 1493 144 144 THR HG2 H 1.212 0.015 1 1494 144 144 THR C C 175.824 0.25 1 1495 144 144 THR CA C 64.466 0.25 1 1496 144 144 THR CB C 69.296 0.25 1 1497 144 144 THR CG2 C 22.294 0.25 1 1498 144 144 THR N N 115.313 0.25 1 1499 145 145 GLN H H 7.881 0.015 1 1500 145 145 GLN HA H 4.045 0.015 1 1501 145 145 GLN HB2 H 2.156 0.015 1 1502 145 145 GLN HB3 H 2.244 0.015 1 1503 145 145 GLN HG2 H 2.403 0.015 1 1504 145 145 GLN HG3 H 2.403 0.015 1 1505 145 145 GLN C C 178.266 0.25 1 1506 145 145 GLN CA C 59.633 0.25 1 1507 145 145 GLN CB C 28.360 0.004 1 1508 145 145 GLN CG C 33.689 0.25 1 1509 145 145 GLN N N 122.006 0.25 1 1510 146 146 GLU H H 8.446 0.015 1 1511 146 146 GLU HA H 4.080 0.015 1 1512 146 146 GLU HB2 H 2.079 0.015 1 1513 146 146 GLU HB3 H 2.079 0.015 1 1514 146 146 GLU HG2 H 2.408 0.015 1 1515 146 146 GLU HG3 H 2.335 0.015 1 1516 146 146 GLU C C 178.871 0.25 1 1517 146 146 GLU CA C 59.549 0.25 1 1518 146 146 GLU CB C 29.373 0.25 1 1519 146 146 GLU CG C 36.637 0.001 1 1520 146 146 GLU N N 119.686 0.25 1 1521 147 147 ALA H H 8.031 0.015 1 1522 147 147 ALA HA H 4.242 0.015 1 1523 147 147 ALA HB H 1.527 0.015 1 1524 147 147 ALA C C 181.079 0.25 1 1525 147 147 ALA CA C 55.042 0.25 1 1526 147 147 ALA CB C 18.196 0.25 1 1527 147 147 ALA N N 122.376 0.25 1 1528 148 148 LEU H H 8.171 0.015 1 1529 148 148 LEU HA H 4.216 0.015 1 1530 148 148 LEU HB2 H 1.571 0.015 1 1531 148 148 LEU HB3 H 1.893 0.015 1 1532 148 148 LEU HD1 H 0.804 0.015 1 1533 148 148 LEU HD2 H 0.855 0.015 1 1534 148 148 LEU C C 177.893 0.25 1 1535 148 148 LEU CA C 58.077 0.25 1 1536 148 148 LEU CB C 42.244 0.012 1 1537 148 148 LEU CD1 C 24.213 0.25 1 1538 148 148 LEU CD2 C 25.862 0.25 1 1539 148 148 LEU N N 121.328 0.25 1 1540 149 149 GLU H H 7.944 0.015 1 1541 149 149 GLU HA H 3.982 0.015 1 1542 149 149 GLU HB2 H 2.120 0.015 1 1543 149 149 GLU HB3 H 2.160 0.015 1 1544 149 149 GLU HG2 H 2.454 0.015 1 1545 149 149 GLU HG3 H 2.345 0.015 1 1546 149 149 GLU C C 180.012 0.25 1 1547 149 149 GLU CA C 59.609 0.25 1 1548 149 149 GLU CB C 28.882 0.007 1 1549 149 149 GLU CG C 36.148 0.004 1 1550 149 149 GLU N N 118.256 0.25 1 1551 150 150 GLU H H 8.205 0.015 1 1552 150 150 GLU HA H 4.106 0.015 1 1553 150 150 GLU HB2 H 2.122 0.015 1 1554 150 150 GLU HB3 H 2.160 0.015 1 1555 150 150 GLU HG2 H 2.253 0.015 1 1556 150 150 GLU HG3 H 2.431 0.015 1 1557 150 150 GLU C C 178.533 0.25 1 1558 150 150 GLU CA C 59.509 0.25 1 1559 150 150 GLU CB C 29.507 0.008 1 1560 150 150 GLU CG C 36.504 0.009 1 1561 150 150 GLU N N 119.992 0.25 1 1562 151 151 ALA H H 8.170 0.015 1 1563 151 151 ALA HA H 4.245 0.015 1 1564 151 151 ALA HB H 1.574 0.015 1 1565 151 151 ALA C C 180.954 0.25 1 1566 151 151 ALA CA C 55.137 0.25 1 1567 151 151 ALA CB C 18.133 0.25 1 1568 151 151 ALA N N 122.236 0.25 1 1569 152 152 VAL H H 8.544 0.015 1 1570 152 152 VAL HA H 3.411 0.015 1 1571 152 152 VAL HB H 2.281 0.015 1 1572 152 152 VAL HG1 H 0.982 0.015 1 1573 152 152 VAL HG2 H 0.891 0.015 1 1574 152 152 VAL C C 179.079 0.25 1 1575 152 152 VAL CA C 67.393 0.25 1 1576 152 152 VAL CB C 31.758 0.25 1 1577 152 152 VAL CG1 C 24.077 0.25 1 1578 152 152 VAL CG2 C 20.774 0.25 1 1579 152 152 VAL N N 120.247 0.25 1 1580 153 153 GLN H H 8.071 0.015 1 1581 153 153 GLN HA H 4.068 0.015 1 1582 153 153 GLN HB2 H 2.253 0.015 1 1583 153 153 GLN HB3 H 2.253 0.015 1 1584 153 153 GLN HG2 H 2.462 0.015 1 1585 153 153 GLN HG3 H 2.462 0.015 1 1586 153 153 GLN C C 178.549 0.25 1 1587 153 153 GLN CA C 59.427 0.25 1 1588 153 153 GLN CB C 27.755 0.25 1 1589 153 153 GLN CG C 33.276 0.25 1 1590 153 153 GLN N N 122.386 0.25 1 1591 154 154 MET H H 8.487 0.015 1 1592 154 154 MET HA H 4.260 0.015 1 1593 154 154 MET HB2 H 2.250 0.015 1 1594 154 154 MET HB3 H 2.189 0.015 1 1595 154 154 MET HE H 2.119 0.015 1 1596 154 154 MET HG2 H 2.806 0.015 1 1597 154 154 MET HG3 H 2.702 0.015 1 1598 154 154 MET C C 179.665 0.25 1 1599 154 154 MET CA C 58.884 0.25 1 1600 154 154 MET CB C 32.765 0.001 1 1601 154 154 MET CE C 17.189 0.25 1 1602 154 154 MET CG C 32.171 0.25 1 1603 154 154 MET N N 118.417 0.25 1 1604 155 155 MET H H 8.337 0.015 1 1605 155 155 MET HA H 4.349 0.015 1 1606 155 155 MET HB2 H 2.129 0.015 1 1607 155 155 MET HB3 H 2.064 0.015 1 1608 155 155 MET HE H 2.061 0.015 1 1609 155 155 MET HG2 H 2.492 0.015 1 1610 155 155 MET HG3 H 2.762 0.015 1 1611 155 155 MET C C 177.674 0.25 1 1612 155 155 MET CA C 59.304 0.25 1 1613 155 155 MET CB C 32.380 0.25 1 1614 155 155 MET CE C 18.901 0.25 1 1615 155 155 MET CG C 34.188 0.015 1 1616 155 155 MET N N 119.451 0.25 1 1617 156 156 THR H H 8.525 0.015 1 1618 156 156 THR HA H 3.793 0.015 1 1619 156 156 THR HB H 4.423 0.015 1 1620 156 156 THR HG2 H 1.293 0.015 1 1621 156 156 THR C C 176.888 0.25 1 1622 156 156 THR CA C 67.548 0.25 1 1623 156 156 THR CB C 68.770 0.25 1 1624 156 156 THR CG2 C 20.953 0.25 1 1625 156 156 THR N N 116.362 0.25 1 1626 157 157 GLU H H 8.055 0.015 1 1627 157 157 GLU HA H 4.060 0.015 1 1628 157 157 GLU HB2 H 2.123 0.015 1 1629 157 157 GLU HB3 H 2.123 0.015 1 1630 157 157 GLU HG2 H 2.529 0.015 1 1631 157 157 GLU HG3 H 2.286 0.015 1 1632 157 157 GLU C C 178.193 0.25 1 1633 157 157 GLU CA C 59.526 0.25 1 1634 157 157 GLU CB C 29.274 0.25 1 1635 157 157 GLU CG C 36.548 0.003 1 1636 157 157 GLU N N 122.067 0.25 1 1637 158 158 ALA H H 7.952 0.015 1 1638 158 158 ALA HA H 4.283 0.015 1 1639 158 158 ALA HB H 1.600 0.015 1 1640 158 158 ALA C C 181.967 0.25 1 1641 158 158 ALA CA C 55.135 0.25 1 1642 158 158 ALA CB C 18.478 0.25 1 1643 158 158 ALA N N 121.349 0.25 1 1644 159 159 VAL H H 8.590 0.015 1 1645 159 159 VAL HA H 3.540 0.015 1 1646 159 159 VAL HB H 2.406 0.015 1 1647 159 159 VAL HG1 H 0.905 0.015 1 1648 159 159 VAL HG2 H 1.071 0.015 1 1649 159 159 VAL C C 178.844 0.25 1 1650 159 159 VAL CA C 66.908 0.25 1 1651 159 159 VAL CB C 31.787 0.25 1 1652 159 159 VAL CG1 C 21.368 0.25 1 1653 159 159 VAL CG2 C 23.913 0.25 1 1654 159 159 VAL N N 119.876 0.25 1 1655 160 160 GLU H H 8.177 0.015 1 1656 160 160 GLU HA H 4.020 0.015 1 1657 160 160 GLU HB2 H 2.153 0.015 1 1658 160 160 GLU HB3 H 2.153 0.015 1 1659 160 160 GLU HG2 H 2.424 0.015 1 1660 160 160 GLU HG3 H 2.424 0.015 1 1661 160 160 GLU C C 179.264 0.25 1 1662 160 160 GLU CA C 59.877 0.25 1 1663 160 160 GLU CB C 29.057 0.25 1 1664 160 160 GLU CG C 36.127 0.25 1 1665 160 160 GLU N N 124.171 0.25 1 1666 161 161 ASP H H 8.403 0.015 1 1667 161 161 ASP HA H 4.470 0.015 1 1668 161 161 ASP HB2 H 2.720 0.015 1 1669 161 161 ASP HB3 H 2.623 0.015 1 1670 161 161 ASP C C 178.379 0.25 1 1671 161 161 ASP CA C 57.674 0.25 1 1672 161 161 ASP CB C 40.288 0.001 1 1673 161 161 ASP N N 120.639 0.25 1 1674 162 162 LEU H H 7.516 0.015 1 1675 162 162 LEU HA H 4.404 0.015 1 1676 162 162 LEU HB2 H 1.514 0.015 1 1677 162 162 LEU HB3 H 1.818 0.015 1 1678 162 162 LEU HD1 H 0.970 0.015 1 1679 162 162 LEU HD2 H 0.888 0.015 1 1680 162 162 LEU HG H 1.583 0.015 1 1681 162 162 LEU C C 178.432 0.25 1 1682 162 162 LEU CA C 57.435 0.25 1 1683 162 162 LEU CB C 42.591 0.006 1 1684 162 162 LEU CD1 C 23.129 0.25 1 1685 162 162 LEU CD2 C 27.444 0.25 1 1686 162 162 LEU CG C 27.114 0.25 1 1687 162 162 LEU N N 118.985 0.25 1 1688 163 163 THR H H 8.469 0.015 1 1689 163 163 THR HA H 3.638 0.015 1 1690 163 163 THR HB H 4.342 0.015 1 1691 163 163 THR HG2 H 1.170 0.015 1 1692 163 163 THR C C 176.072 0.25 1 1693 163 163 THR CA C 68.329 0.25 1 1694 163 163 THR CB C 68.624 0.25 1 1695 163 163 THR CG2 C 21.118 0.25 1 1696 163 163 THR N N 115.402 0.25 1 1697 164 164 THR H H 8.198 0.015 1 1698 164 164 THR HA H 3.963 0.015 1 1699 164 164 THR HB H 4.491 0.015 1 1700 164 164 THR HG2 H 1.266 0.015 1 1701 164 164 THR C C 176.467 0.25 1 1702 164 164 THR CA C 67.398 0.25 1 1703 164 164 THR CB C 68.601 0.25 1 1704 164 164 THR CG2 C 21.681 0.25 1 1705 164 164 THR N N 119.532 0.25 1 1706 165 165 THR H H 8.007 0.015 1 1707 165 165 THR HA H 3.869 0.015 1 1708 165 165 THR HB H 4.398 0.015 1 1709 165 165 THR HG2 H 1.074 0.015 1 1710 165 165 THR C C 176.952 0.25 1 1711 165 165 THR CA C 66.704 0.25 1 1712 165 165 THR CB C 68.116 0.25 1 1713 165 165 THR CG2 C 22.169 0.25 1 1714 165 165 THR N N 120.971 0.25 1 1715 166 166 LEU H H 8.467 0.015 1 1716 166 166 LEU HA H 3.938 0.015 1 1717 166 166 LEU HB2 H 1.328 0.015 1 1718 166 166 LEU HB3 H 1.969 0.015 1 1719 166 166 LEU HD1 H 0.750 0.015 1 1720 166 166 LEU HD2 H 0.826 0.015 1 1721 166 166 LEU HG H 1.757 0.015 1 1722 166 166 LEU C C 178.774 0.25 1 1723 166 166 LEU CA C 57.817 0.25 1 1724 166 166 LEU CB C 42.097 0.007 1 1725 166 166 LEU CD1 C 26.005 0.25 1 1726 166 166 LEU CD2 C 23.083 0.25 1 1727 166 166 LEU CG C 27.229 0.25 1 1728 166 166 LEU N N 121.668 0.25 1 1729 167 167 ASN H H 8.538 0.015 1 1730 167 167 ASN HA H 4.580 0.015 1 1731 167 167 ASN HB2 H 2.833 0.015 1 1732 167 167 ASN HB3 H 2.963 0.015 1 1733 167 167 ASN HD21 H 7.468 0.015 1 1734 167 167 ASN HD22 H 6.691 0.015 1 1735 167 167 ASN C C 178.742 0.25 1 1736 167 167 ASN CA C 55.585 0.25 1 1737 167 167 ASN CB C 38.361 0.014 1 1738 167 167 ASN N N 119.045 0.25 1 1739 167 167 ASN ND2 N 110.855 0.016 1 1740 168 168 GLU H H 8.090 0.015 1 1741 168 168 GLU HA H 4.142 0.015 1 1742 168 168 GLU HB2 H 2.115 0.015 1 1743 168 168 GLU HB3 H 2.115 0.015 1 1744 168 168 GLU HG2 H 2.453 0.015 1 1745 168 168 GLU HG3 H 2.276 0.015 1 1746 168 168 GLU C C 178.244 0.25 1 1747 168 168 GLU CA C 58.548 0.25 1 1748 168 168 GLU CB C 29.397 0.25 1 1749 168 168 GLU CG C 36.449 0.003 1 1750 168 168 GLU N N 120.466 0.25 1 1751 169 169 ALA H H 7.945 0.015 1 1752 169 169 ALA HA H 4.195 0.015 1 1753 169 169 ALA HB H 1.317 0.015 1 1754 169 169 ALA C C 178.861 0.25 1 1755 169 169 ALA CA C 53.861 0.25 1 1756 169 169 ALA CB C 18.082 0.25 1 1757 169 169 ALA N N 122.665 0.25 1 1758 170 170 ALA H H 7.902 0.015 1 1759 170 170 ALA HA H 4.271 0.015 1 1760 170 170 ALA HB H 1.425 0.015 1 1761 170 170 ALA C C 178.642 0.25 1 1762 170 170 ALA CA C 53.312 0.25 1 1763 170 170 ALA CB C 18.837 0.25 1 1764 170 170 ALA N N 120.460 0.25 1 1765 171 171 SER H H 7.860 0.015 1 1766 171 171 SER HA H 4.422 0.015 1 1767 171 171 SER HB2 H 3.941 0.015 1 1768 171 171 SER HB3 H 3.941 0.015 1 1769 171 171 SER C C 174.604 0.25 1 1770 171 171 SER CA C 58.970 0.25 1 1771 171 171 SER CB C 63.812 0.25 1 1772 171 171 SER N N 113.720 0.25 1 1773 172 172 ALA H H 7.932 0.015 1 1774 172 172 ALA HA H 4.373 0.015 1 1775 172 172 ALA HB H 1.453 0.015 1 1776 172 172 ALA C C 177.386 0.25 1 1777 172 172 ALA CA C 52.691 0.25 1 1778 172 172 ALA CB C 19.188 0.25 1 1779 172 172 ALA N N 125.237 0.25 1 1780 173 173 ALA H H 8.039 0.015 1 1781 173 173 ALA HA H 4.386 0.015 1 1782 173 173 ALA HB H 1.455 0.015 1 1783 173 173 ALA C C 177.227 0.25 1 1784 173 173 ALA CA C 52.570 0.25 1 1785 173 173 ALA CB C 19.277 0.25 1 1786 173 173 ALA N N 123.165 0.25 1 1787 174 174 GLY H H 7.840 0.015 1 1788 174 174 GLY HA2 H 3.790 0.015 1 1789 174 174 GLY HA3 H 3.790 0.015 1 1790 174 174 GLY C C 179.074 0.25 1 1791 174 174 GLY CA C 46.257 0.25 1 1792 174 174 GLY N N 114.223 0.25 1 stop_ save_