data_15925 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Filamin A Ig-like domains 18-19 ; _BMRB_accession_number 15925 _BMRB_flat_file_name bmr15925.str _Entry_type original _Submission_date 2008-08-19 _Accession_date 2008-08-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Heikkinen Outi K. . 2 Kilpelainen Ilkka . . 3 Koskela Harri . . 4 Permi Perttu . . 5 Heikkinen Sami . . 6 Ylanne Jari . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1075 "13C chemical shifts" 761 "15N chemical shifts" 174 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-08-20 update BMRB 'add PubMed ID, related entries loop, and remove reference citation' 2009-05-22 update BMRB 'complete entry citation' 2009-01-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15924 'domains 16-17' stop_ save_ ############################# # Citation for this entry # ############################# save_FLNa18-19structure _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of the human filamin A tandem immunoglobulin-like domains 16-17 and 18-19' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636946 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Heikkinen Outi . . 2 Permi Perttu . . 3 Koskela Harri . . 4 Ylanne Jari . . 5 Kilpelainen Ilkka . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 53 _Page_last 56 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FLNa18-19 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FLNa18-19 $FLNa18-19 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_FLNa18-19 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FLNa18-19 _Molecular_mass 20379.8945 _Mol_thiol_state 'all free' loop_ _Biological_function 'actin binding protein' 'structural protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; GAMGDDSMRMSHLKVGSAAD IPINISETDLSLLTATVVPP SGREEPCLLKRLRNGHVGIS FVPKETGEHLVHVKKNGQHV ASSPIPVVISQSEIGDASRV RVSGQGLHEGHTFEPAEFII DTRDAGYGGLSLSIEGPSKV DINTEDLEDGTCRVTYCPTE PGNYIINIKFADQHVPGSPF SVKVTGEGRVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 ALA 3 -1 MET 4 1954 GLY 5 1955 ASP 6 1956 ASP 7 1957 SER 8 1958 MET 9 1959 ARG 10 1960 MET 11 1961 SER 12 1962 HIS 13 1963 LEU 14 1964 LYS 15 1965 VAL 16 1966 GLY 17 1967 SER 18 1968 ALA 19 1969 ALA 20 1970 ASP 21 1971 ILE 22 1972 PRO 23 1973 ILE 24 1974 ASN 25 1975 ILE 26 1976 SER 27 1977 GLU 28 1978 THR 29 1979 ASP 30 1980 LEU 31 1981 SER 32 1982 LEU 33 1983 LEU 34 1984 THR 35 1985 ALA 36 1986 THR 37 1987 VAL 38 1988 VAL 39 1989 PRO 40 1990 PRO 41 1991 SER 42 1992 GLY 43 1993 ARG 44 1994 GLU 45 1995 GLU 46 1996 PRO 47 1997 CYS 48 1998 LEU 49 1999 LEU 50 2000 LYS 51 2001 ARG 52 2002 LEU 53 2003 ARG 54 2004 ASN 55 2005 GLY 56 2006 HIS 57 2007 VAL 58 2008 GLY 59 2009 ILE 60 2010 SER 61 2011 PHE 62 2012 VAL 63 2013 PRO 64 2014 LYS 65 2015 GLU 66 2016 THR 67 2017 GLY 68 2018 GLU 69 2019 HIS 70 2020 LEU 71 2021 VAL 72 2022 HIS 73 2023 VAL 74 2024 LYS 75 2025 LYS 76 2026 ASN 77 2027 GLY 78 2028 GLN 79 2029 HIS 80 2030 VAL 81 2031 ALA 82 2032 SER 83 2033 SER 84 2034 PRO 85 2035 ILE 86 2036 PRO 87 2037 VAL 88 2038 VAL 89 2039 ILE 90 2040 SER 91 2041 GLN 92 2042 SER 93 2043 GLU 94 2044 ILE 95 2045 GLY 96 2046 ASP 97 2047 ALA 98 2048 SER 99 2049 ARG 100 2050 VAL 101 2051 ARG 102 2052 VAL 103 2053 SER 104 2054 GLY 105 2055 GLN 106 2056 GLY 107 2057 LEU 108 2058 HIS 109 2059 GLU 110 2060 GLY 111 2061 HIS 112 2062 THR 113 2063 PHE 114 2064 GLU 115 2065 PRO 116 2066 ALA 117 2067 GLU 118 2068 PHE 119 2069 ILE 120 2070 ILE 121 2071 ASP 122 2072 THR 123 2073 ARG 124 2074 ASP 125 2075 ALA 126 2076 GLY 127 2077 TYR 128 2078 GLY 129 2079 GLY 130 2080 LEU 131 2081 SER 132 2082 LEU 133 2083 SER 134 2084 ILE 135 2085 GLU 136 2086 GLY 137 2087 PRO 138 2088 SER 139 2089 LYS 140 2090 VAL 141 2091 ASP 142 2092 ILE 143 2093 ASN 144 2094 THR 145 2095 GLU 146 2096 ASP 147 2097 LEU 148 2098 GLU 149 2099 ASP 150 2100 GLY 151 2101 THR 152 2102 CYS 153 2103 ARG 154 2104 VAL 155 2105 THR 156 2106 TYR 157 2107 CYS 158 2108 PRO 159 2109 THR 160 2110 GLU 161 2111 PRO 162 2112 GLY 163 2113 ASN 164 2114 TYR 165 2115 ILE 166 2116 ILE 167 2117 ASN 168 2118 ILE 169 2119 LYS 170 2120 PHE 171 2121 ALA 172 2122 ASP 173 2123 GLN 174 2124 HIS 175 2125 VAL 176 2126 PRO 177 2127 GLY 178 2128 SER 179 2129 PRO 180 2130 PHE 181 2131 SER 182 2132 VAL 183 2133 LYS 184 2134 VAL 185 2135 THR 186 2136 GLY 187 2137 GLU 188 2138 GLY 189 2139 ARG 190 2140 VAL 191 2141 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2K7Q "Filamin A Ig-Like Domains 18-19" 100.00 191 100.00 100.00 5.79e-135 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FLNa18-19 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 $FLNa18-19 'recombinant technology' . Escherichia coli BL21(DE3) pGEX-4T1-HTb 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 $FLNa18-19 0.8 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' 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 8.0 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 Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C-CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C-CT-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_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C-CT-HSQC_aromatics_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C-CT-HSQC_aromatics' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_HN(CA)CO_17 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HNCAHA_18 _Saveframe_category NMR_applied_experiment _Experiment_name HNCAHA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 303.15 . 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 C 13 protons ppm 4.727517028 internal indirect . . . 0.25144954 water H 1 protons ppm 4.727517028 internal indirect . . . 1 water N 15 protons ppm 4.727517028 internal indirect . . . 0.101329 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 $VNMRJ $SPARKY $AutoAssign stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C-CT-HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-COSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-13C-CT-HSQC_aromatics' '2D (HB)CB(CGCDCE)HE' '2D (HB)CB(CGCD)HD' '3D HN(CO)CA' '3D HNCO' '3D HCCH-TOCSY' HN(CA)CO HNCAHA 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 FLNa18-19 _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 1 GLY HA2 H 3.817 0.015 2 2 -3 1 GLY HA3 H 3.817 0.015 2 3 -3 1 GLY CA C 43.375 0.015 1 4 -2 2 ALA HA H 4.357 0.007 1 5 -2 2 ALA HB H 1.390 0.006 1 6 -2 2 ALA C C 177.851 0.015 1 7 -2 2 ALA CA C 52.593 0.074 1 8 -2 2 ALA CB C 19.371 0.097 1 9 -1 3 MET H H 8.515 0.009 1 10 -1 3 MET HA H 4.473 0.006 1 11 -1 3 MET HB2 H 2.107 0.005 2 12 -1 3 MET HB3 H 2.016 0.005 2 13 -1 3 MET HE H 2.082 0.015 1 14 -1 3 MET HG2 H 2.615 0.005 2 15 -1 3 MET HG3 H 2.546 0.008 2 16 -1 3 MET C C 176.738 0.011 1 17 -1 3 MET CA C 55.537 0.064 1 18 -1 3 MET CB C 32.658 0.081 1 19 -1 3 MET CE C 16.751 0.015 1 20 -1 3 MET CG C 31.890 0.002 1 21 -1 3 MET N N 120.584 0.056 1 22 1954 4 GLY H H 8.354 0.012 1 23 1954 4 GLY HA2 H 3.981 0.015 2 24 1954 4 GLY HA3 H 3.945 0.015 2 25 1954 4 GLY C C 173.925 0.025 1 26 1954 4 GLY CA C 45.239 0.079 1 27 1954 4 GLY N N 111.386 0.067 1 28 1955 5 ASP H H 8.207 0.003 1 29 1955 5 ASP HA H 4.606 0.007 1 30 1955 5 ASP HB2 H 2.702 0.005 2 31 1955 5 ASP HB3 H 2.647 0.004 2 32 1955 5 ASP C C 176.341 0.016 1 33 1955 5 ASP CA C 54.312 0.067 1 34 1955 5 ASP CB C 41.194 0.086 1 35 1955 5 ASP N N 121.893 0.052 1 36 1956 6 ASP H H 8.403 0.008 1 37 1956 6 ASP HA H 4.588 0.006 1 38 1956 6 ASP HB2 H 2.692 0.015 2 39 1956 6 ASP HB3 H 2.646 0.015 2 40 1956 6 ASP C C 176.650 0.031 1 41 1956 6 ASP CA C 54.557 0.070 1 42 1956 6 ASP CB C 40.832 0.090 1 43 1956 6 ASP N N 122.551 0.051 1 44 1957 7 SER H H 8.249 0.005 1 45 1957 7 SER HA H 4.319 0.007 1 46 1957 7 SER HB2 H 3.870 0.015 2 47 1957 7 SER HB3 H 3.870 0.015 2 48 1957 7 SER C C 174.676 0.031 1 49 1957 7 SER CA C 59.260 0.060 1 50 1957 7 SER CB C 63.681 0.063 1 51 1957 7 SER N N 116.894 0.052 1 52 1958 8 MET H H 8.111 0.004 1 53 1958 8 MET HA H 4.416 0.003 1 54 1958 8 MET HB2 H 2.004 0.015 2 55 1958 8 MET HB3 H 1.947 0.015 2 56 1958 8 MET HE H 2.022 0.015 1 57 1958 8 MET HG2 H 2.598 0.015 2 58 1958 8 MET HG3 H 2.464 0.015 2 59 1958 8 MET C C 176.054 0.015 1 60 1958 8 MET CA C 55.228 0.061 1 61 1958 8 MET CB C 33.038 0.067 1 62 1958 8 MET CE C 17.233 0.015 1 63 1958 8 MET CG C 32.218 0.001 1 64 1958 8 MET N N 122.093 0.044 1 65 1959 9 ARG H H 8.514 0.005 1 66 1959 9 ARG HA H 4.481 0.015 1 67 1959 9 ARG HB2 H 1.737 0.015 2 68 1959 9 ARG HB3 H 1.646 0.015 2 69 1959 9 ARG HD2 H 3.135 0.015 2 70 1959 9 ARG HD3 H 3.135 0.015 2 71 1959 9 ARG HG2 H 1.588 0.015 2 72 1959 9 ARG HG3 H 1.588 0.015 2 73 1959 9 ARG CA C 54.931 0.015 1 74 1959 9 ARG CB C 31.260 0.004 1 75 1959 9 ARG CD C 42.835 0.015 1 76 1959 9 ARG CG C 27.054 0.015 1 77 1959 9 ARG N N 122.711 0.068 1 78 1960 10 MET H H 8.318 0.001 1 79 1960 10 MET HA H 5.047 0.015 1 80 1960 10 MET HB2 H 1.961 0.015 2 81 1960 10 MET HB3 H 1.961 0.015 2 82 1960 10 MET HE H 2.005 0.015 1 83 1960 10 MET HG2 H 2.426 0.015 2 84 1960 10 MET HG3 H 2.426 0.015 2 85 1960 10 MET CA C 54.679 0.015 1 86 1960 10 MET CB C 34.669 0.015 1 87 1960 10 MET CE C 16.949 0.015 1 88 1960 10 MET CG C 32.003 0.015 1 89 1960 10 MET N N 121.355 0.050 1 90 1961 11 SER HA H 4.732 0.015 1 91 1961 11 SER HB2 H 3.905 0.015 2 92 1961 11 SER HB3 H 3.735 0.015 2 93 1961 11 SER CA C 57.210 0.015 1 94 1961 11 SER CB C 64.977 0.005 1 95 1962 12 HIS HA H 5.202 0.015 1 96 1962 12 HIS HB2 H 3.025 0.001 2 97 1962 12 HIS HB3 H 3.025 0.001 2 98 1962 12 HIS HD2 H 6.901 0.015 1 99 1962 12 HIS HE1 H 7.757 0.015 1 100 1962 12 HIS CA C 55.430 0.015 1 101 1962 12 HIS CB C 33.147 0.023 1 102 1962 12 HIS CD2 C 120.162 0.015 1 103 1962 12 HIS CE1 C 138.025 0.015 1 104 1963 13 LEU H H 8.643 0.015 1 105 1963 13 LEU HA H 4.465 0.015 1 106 1963 13 LEU HB2 H 1.521 0.015 2 107 1963 13 LEU HB3 H 1.521 0.015 2 108 1963 13 LEU HD1 H 0.887 0.015 2 109 1963 13 LEU HD2 H 0.733 0.015 2 110 1963 13 LEU HG H 1.442 0.015 1 111 1963 13 LEU CA C 54.787 0.015 1 112 1963 13 LEU CB C 45.087 0.015 1 113 1963 13 LEU CD1 C 24.294 0.015 2 114 1963 13 LEU CD2 C 25.325 0.015 2 115 1963 13 LEU CG C 26.876 0.015 1 116 1964 14 LYS H H 8.486 0.004 1 117 1964 14 LYS HA H 4.959 0.004 1 118 1964 14 LYS HB2 H 1.770 0.015 1 119 1964 14 LYS HB3 H 1.667 0.015 1 120 1964 14 LYS HD2 H 1.622 0.015 2 121 1964 14 LYS HD3 H 1.622 0.015 2 122 1964 14 LYS HE2 H 2.915 0.015 2 123 1964 14 LYS HE3 H 2.915 0.015 2 124 1964 14 LYS HG2 H 1.401 0.015 2 125 1964 14 LYS HG3 H 1.344 0.015 2 126 1964 14 LYS CA C 55.023 0.012 1 127 1964 14 LYS CB C 34.344 0.005 1 128 1964 14 LYS CD C 29.087 0.015 1 129 1964 14 LYS CE C 41.900 0.015 1 130 1964 14 LYS CG C 24.656 0.015 1 131 1964 14 LYS N N 125.644 0.039 1 132 1965 15 VAL H H 8.414 0.015 1 133 1965 15 VAL HB H 2.006 0.003 1 134 1965 15 VAL HG1 H 0.923 0.001 2 135 1965 15 VAL HG2 H 0.824 0.015 2 136 1965 15 VAL CB C 33.527 0.034 1 137 1965 15 VAL CG1 C 21.314 0.015 2 138 1965 15 VAL CG2 C 20.642 0.015 2 139 1966 16 GLY HA2 H 4.129 0.015 2 140 1966 16 GLY HA3 H 3.993 0.015 2 141 1966 16 GLY C C 173.610 0.015 1 142 1966 16 GLY CA C 45.613 0.104 1 143 1967 17 SER H H 8.106 0.006 1 144 1967 17 SER HA H 4.631 0.004 1 145 1967 17 SER HB2 H 3.990 0.015 2 146 1967 17 SER HB3 H 3.884 0.004 2 147 1967 17 SER C C 173.477 0.015 1 148 1967 17 SER CA C 57.583 0.077 1 149 1967 17 SER CB C 64.239 0.105 1 150 1967 17 SER N N 117.290 0.064 1 151 1968 18 ALA H H 8.309 0.003 1 152 1968 18 ALA HA H 4.221 0.004 1 153 1968 18 ALA HB H 1.228 0.015 1 154 1968 18 ALA CA C 51.932 0.089 1 155 1968 18 ALA CB C 19.958 0.059 1 156 1968 18 ALA N N 126.454 0.053 1 157 1969 19 ALA H H 7.970 0.008 1 158 1969 19 ALA HA H 4.060 0.015 1 159 1969 19 ALA HB H 0.736 0.002 1 160 1969 19 ALA C C 174.862 0.015 1 161 1969 19 ALA CA C 51.368 0.081 1 162 1969 19 ALA CB C 18.648 0.087 1 163 1970 20 ASP H H 7.764 0.006 1 164 1970 20 ASP HA H 5.177 0.015 1 165 1970 20 ASP HB2 H 2.534 0.002 2 166 1970 20 ASP HB3 H 2.300 0.012 2 167 1970 20 ASP C C 175.651 0.015 1 168 1970 20 ASP CA C 53.109 0.084 1 169 1970 20 ASP CB C 41.905 0.064 1 170 1970 20 ASP N N 122.250 0.079 1 171 1971 21 ILE H H 9.041 0.006 1 172 1971 21 ILE HA H 4.520 0.015 1 173 1971 21 ILE HB H 1.846 0.015 1 174 1971 21 ILE HD1 H 0.638 0.015 1 175 1971 21 ILE HG12 H 1.316 0.015 2 176 1971 21 ILE HG13 H 0.917 0.015 2 177 1971 21 ILE HG2 H 0.802 0.015 1 178 1971 21 ILE CA C 57.602 0.130 1 179 1971 21 ILE CB C 39.812 0.063 1 180 1971 21 ILE CD1 C 13.093 0.015 1 181 1971 21 ILE CG1 C 26.632 0.006 1 182 1971 21 ILE CG2 C 16.360 0.015 1 183 1971 21 ILE N N 126.364 0.058 1 184 1972 22 PRO HA H 4.803 0.003 1 185 1972 22 PRO HB2 H 2.021 0.015 2 186 1972 22 PRO HB3 H 1.823 0.015 2 187 1972 22 PRO HD2 H 3.878 0.015 2 188 1972 22 PRO HD3 H 3.761 0.015 2 189 1972 22 PRO HG2 H 2.087 0.015 1 190 1972 22 PRO HG3 H 1.856 0.015 1 191 1972 22 PRO CA C 62.649 0.084 1 192 1972 22 PRO CB C 31.994 0.090 1 193 1972 22 PRO CD C 50.805 0.001 1 194 1972 22 PRO CG C 27.087 0.002 1 195 1973 23 ILE H H 8.556 0.008 1 196 1973 23 ILE HA H 4.607 0.007 1 197 1973 23 ILE HB H 1.697 0.015 1 198 1973 23 ILE HD1 H 0.646 0.015 1 199 1973 23 ILE HG12 H 1.351 0.015 2 200 1973 23 ILE HG13 H 0.997 0.015 2 201 1973 23 ILE HG2 H 0.818 0.015 1 202 1973 23 ILE C C 175.028 0.015 1 203 1973 23 ILE CA C 59.330 0.064 1 204 1973 23 ILE CB C 41.547 0.137 1 205 1973 23 ILE CD1 C 13.977 0.015 1 206 1973 23 ILE CG1 C 26.008 0.006 1 207 1973 23 ILE CG2 C 17.493 0.015 1 208 1973 23 ILE N N 117.420 0.081 1 209 1974 24 ASN H H 8.640 0.009 1 210 1974 24 ASN HA H 4.831 0.015 1 211 1974 24 ASN HB2 H 2.833 0.003 2 212 1974 24 ASN HB3 H 2.663 0.005 2 213 1974 24 ASN HD21 H 7.537 0.015 2 214 1974 24 ASN HD22 H 6.805 0.015 2 215 1974 24 ASN C C 174.179 0.015 1 216 1974 24 ASN CA C 52.914 0.077 1 217 1974 24 ASN CB C 37.566 0.074 1 218 1974 24 ASN N N 123.507 0.065 1 219 1974 24 ASN ND2 N 113.419 0.005 1 220 1975 25 ILE H H 7.582 0.008 1 221 1975 25 ILE HA H 4.521 0.015 1 222 1975 25 ILE HB H 1.859 0.015 1 223 1975 25 ILE HD1 H 0.765 0.015 1 224 1975 25 ILE HG12 H 1.397 0.015 2 225 1975 25 ILE HG13 H 0.973 0.015 2 226 1975 25 ILE HG2 H 0.798 0.015 1 227 1975 25 ILE CA C 59.432 0.085 1 228 1975 25 ILE CB C 40.924 0.033 1 229 1975 25 ILE CD1 C 14.096 0.015 1 230 1975 25 ILE CG1 C 26.248 0.015 1 231 1975 25 ILE CG2 C 17.231 0.015 1 232 1975 25 ILE N N 119.060 0.072 1 233 1976 26 SER H H 9.473 0.015 1 234 1976 26 SER HA H 4.569 0.002 1 235 1976 26 SER HB2 H 3.845 0.015 2 236 1976 26 SER HB3 H 3.816 0.015 2 237 1976 26 SER C C 174.287 0.015 1 238 1976 26 SER CA C 57.747 0.082 1 239 1976 26 SER CB C 63.325 0.108 1 240 1977 27 GLU H H 7.518 0.011 1 241 1977 27 GLU HA H 4.253 0.015 1 242 1977 27 GLU HB2 H 1.898 0.015 2 243 1977 27 GLU HB3 H 1.726 0.015 2 244 1977 27 GLU HG2 H 2.193 0.015 2 245 1977 27 GLU HG3 H 2.100 0.015 2 246 1977 27 GLU C C 175.678 0.020 1 247 1977 27 GLU CA C 56.106 0.052 1 248 1977 27 GLU CB C 31.296 0.149 1 249 1977 27 GLU CG C 35.734 0.004 1 250 1977 27 GLU N N 123.652 0.055 1 251 1978 28 THR H H 8.241 0.003 1 252 1978 28 THR HA H 4.177 0.004 1 253 1978 28 THR HB H 4.192 0.006 1 254 1978 28 THR HG2 H 1.191 0.005 1 255 1978 28 THR C C 174.556 0.015 1 256 1978 28 THR CA C 62.949 0.162 1 257 1978 28 THR CB C 69.297 0.137 1 258 1978 28 THR CG2 C 21.657 0.103 1 259 1978 28 THR N N 115.441 0.047 1 260 1979 29 ASP H H 8.461 0.011 1 261 1979 29 ASP HA H 4.831 0.015 1 262 1979 29 ASP HB2 H 2.891 0.015 2 263 1979 29 ASP HB3 H 2.510 0.015 2 264 1979 29 ASP CA C 52.836 0.052 1 265 1979 29 ASP CB C 40.328 0.051 1 266 1979 29 ASP N N 123.638 0.050 1 267 1980 30 LEU H H 8.368 0.006 1 268 1980 30 LEU HA H 3.898 0.006 1 269 1980 30 LEU HB2 H 1.743 0.002 2 270 1980 30 LEU HB3 H 1.522 0.015 2 271 1980 30 LEU HD1 H 0.808 0.015 2 272 1980 30 LEU HD2 H 0.705 0.015 2 273 1980 30 LEU HG H 1.732 0.015 1 274 1980 30 LEU C C 178.839 0.015 1 275 1980 30 LEU CA C 56.700 0.049 1 276 1980 30 LEU CB C 40.790 0.106 1 277 1980 30 LEU CD1 C 25.191 0.015 2 278 1980 30 LEU CD2 C 23.063 0.015 2 279 1980 30 LEU CG C 26.843 0.015 1 280 1980 30 LEU N N 123.912 0.081 1 281 1981 31 SER H H 8.391 0.004 1 282 1981 31 SER HA H 4.256 0.005 1 283 1981 31 SER HB2 H 3.958 0.015 2 284 1981 31 SER HB3 H 3.958 0.015 2 285 1981 31 SER C C 175.410 0.015 1 286 1981 31 SER CA C 61.121 0.076 1 287 1981 31 SER CB C 62.791 0.054 1 288 1981 31 SER N N 115.547 0.058 1 289 1982 32 LEU H H 7.385 0.010 1 290 1982 32 LEU HA H 4.401 0.007 1 291 1982 32 LEU HB2 H 1.647 0.003 2 292 1982 32 LEU HB3 H 1.647 0.003 2 293 1982 32 LEU HD1 H 0.946 0.015 2 294 1982 32 LEU HD2 H 0.812 0.015 2 295 1982 32 LEU HG H 1.571 0.015 1 296 1982 32 LEU C C 176.686 0.013 1 297 1982 32 LEU CA C 54.562 0.062 1 298 1982 32 LEU CB C 42.236 0.114 1 299 1982 32 LEU CD1 C 25.596 0.015 2 300 1982 32 LEU CD2 C 21.877 0.015 2 301 1982 32 LEU CG C 26.469 0.015 1 302 1982 32 LEU N N 120.599 0.048 1 303 1983 33 LEU H H 7.352 0.006 1 304 1983 33 LEU HA H 5.197 0.004 1 305 1983 33 LEU HB2 H 1.789 0.001 2 306 1983 33 LEU HB3 H 1.186 0.015 2 307 1983 33 LEU HD1 H 0.722 0.015 2 308 1983 33 LEU HD2 H 0.654 0.015 2 309 1983 33 LEU HG H 1.665 0.015 1 310 1983 33 LEU C C 176.821 0.010 1 311 1983 33 LEU CA C 53.510 0.058 1 312 1983 33 LEU CB C 44.182 0.113 1 313 1983 33 LEU CD1 C 25.874 0.015 2 314 1983 33 LEU CD2 C 23.459 0.015 2 315 1983 33 LEU CG C 26.797 0.015 1 316 1983 33 LEU N N 119.767 0.055 1 317 1984 34 THR H H 8.908 0.004 1 318 1984 34 THR HA H 4.504 0.015 1 319 1984 34 THR HB H 4.045 0.008 1 320 1984 34 THR HG2 H 1.141 0.005 1 321 1984 34 THR C C 172.846 0.020 1 322 1984 34 THR CA C 60.821 0.091 1 323 1984 34 THR CB C 71.468 0.111 1 324 1984 34 THR CG2 C 21.404 0.015 1 325 1984 34 THR N N 114.703 0.053 1 326 1985 35 ALA H H 8.874 0.009 1 327 1985 35 ALA HA H 5.846 0.007 1 328 1985 35 ALA HB H 1.171 0.005 1 329 1985 35 ALA C C 176.219 0.015 1 330 1985 35 ALA CA C 50.319 0.116 1 331 1985 35 ALA CB C 22.702 0.094 1 332 1985 35 ALA N N 126.979 0.057 1 333 1986 36 THR H H 8.877 0.006 1 334 1986 36 THR HA H 4.849 0.003 1 335 1986 36 THR HB H 3.907 0.005 1 336 1986 36 THR HG2 H 0.966 0.002 1 337 1986 36 THR C C 172.291 0.015 1 338 1986 36 THR CA C 59.864 0.144 1 339 1986 36 THR CB C 72.168 0.103 1 340 1986 36 THR CG2 C 22.511 0.137 1 341 1986 36 THR N N 116.219 0.074 1 342 1987 37 VAL H H 9.146 0.005 1 343 1987 37 VAL HA H 4.855 0.005 1 344 1987 37 VAL HB H 1.403 0.004 1 345 1987 37 VAL HG1 H 0.331 0.006 1 346 1987 37 VAL HG2 H 0.242 0.015 1 347 1987 37 VAL C C 173.377 0.018 1 348 1987 37 VAL CA C 59.432 0.195 1 349 1987 37 VAL CB C 34.214 0.088 1 350 1987 37 VAL CG1 C 19.865 0.015 1 351 1987 37 VAL CG2 C 22.370 0.015 1 352 1987 37 VAL N N 121.562 0.070 1 353 1988 38 VAL H H 9.217 0.007 1 354 1988 38 VAL HA H 4.453 0.015 1 355 1988 38 VAL HB H 2.106 0.015 1 356 1988 38 VAL HG1 H 0.898 0.015 1 357 1988 38 VAL HG2 H 0.617 0.015 1 358 1988 38 VAL C C 174.927 0.015 1 359 1988 38 VAL CA C 59.048 0.092 1 360 1988 38 VAL CB C 32.355 0.109 1 361 1988 38 VAL CG1 C 21.187 0.015 1 362 1988 38 VAL CG2 C 20.144 0.015 1 363 1988 38 VAL N N 128.761 0.054 1 364 1989 39 PRO HA H 4.158 0.015 1 365 1989 39 PRO HB2 H 2.016 0.015 1 366 1989 39 PRO HB3 H 1.937 0.015 1 367 1989 39 PRO HD2 H 3.881 0.015 1 368 1989 39 PRO HD3 H 3.279 0.015 1 369 1989 39 PRO HG2 H 1.997 0.015 1 370 1989 39 PRO HG3 H 1.890 0.015 1 371 1989 39 PRO CA C 61.305 0.015 1 372 1989 39 PRO CB C 30.717 0.015 1 373 1989 39 PRO CD C 51.526 0.007 1 374 1989 39 PRO CG C 26.531 0.005 1 375 1990 40 PRO HA H 4.165 0.008 1 376 1990 40 PRO HB2 H 2.351 0.004 2 377 1990 40 PRO HB3 H 1.918 0.009 2 378 1990 40 PRO HD2 H 3.070 0.015 2 379 1990 40 PRO HD3 H 2.148 0.015 2 380 1990 40 PRO HG2 H 2.266 0.015 2 381 1990 40 PRO HG3 H 1.909 0.015 2 382 1990 40 PRO C C 178.253 0.015 1 383 1990 40 PRO CA C 65.774 0.141 1 384 1990 40 PRO CB C 31.329 0.100 1 385 1990 40 PRO CD C 49.245 0.002 1 386 1990 40 PRO CG C 26.566 0.007 1 387 1991 41 SER H H 8.888 0.005 1 388 1991 41 SER HA H 4.108 0.004 1 389 1991 41 SER HB2 H 3.853 0.015 2 390 1991 41 SER HB3 H 3.853 0.015 2 391 1991 41 SER C C 177.006 0.034 1 392 1991 41 SER CA C 60.034 0.063 1 393 1991 41 SER CB C 62.635 0.063 1 394 1991 41 SER N N 111.790 0.047 1 395 1992 42 GLY H H 8.341 0.005 1 396 1992 42 GLY HA2 H 4.228 0.002 1 397 1992 42 GLY HA3 H 3.519 0.006 1 398 1992 42 GLY C C 173.852 0.015 1 399 1992 42 GLY CA C 45.236 0.080 1 400 1992 42 GLY N N 110.808 0.047 1 401 1993 43 ARG H H 7.360 0.008 1 402 1993 43 ARG HA H 4.344 0.008 1 403 1993 43 ARG HB2 H 1.759 0.015 1 404 1993 43 ARG HB3 H 1.636 0.015 1 405 1993 43 ARG HD2 H 3.198 0.015 2 406 1993 43 ARG HD3 H 3.198 0.015 2 407 1993 43 ARG HG2 H 1.520 0.015 2 408 1993 43 ARG HG3 H 1.520 0.015 2 409 1993 43 ARG C C 173.526 0.011 1 410 1993 43 ARG CA C 55.557 0.074 1 411 1993 43 ARG CB C 29.040 0.089 1 412 1993 43 ARG CD C 43.264 0.015 1 413 1993 43 ARG CG C 26.997 0.116 1 414 1993 43 ARG N N 121.895 0.052 1 415 1994 44 GLU H H 8.069 0.007 1 416 1994 44 GLU HA H 4.560 0.008 1 417 1994 44 GLU HB2 H 1.886 0.015 2 418 1994 44 GLU HB3 H 1.799 0.015 2 419 1994 44 GLU HG2 H 2.021 0.015 2 420 1994 44 GLU HG3 H 2.021 0.015 2 421 1994 44 GLU C C 175.911 0.015 1 422 1994 44 GLU CA C 56.641 0.070 1 423 1994 44 GLU CB C 30.865 0.083 1 424 1994 44 GLU CG C 36.080 0.121 1 425 1994 44 GLU N N 127.742 0.074 1 426 1995 45 GLU H H 8.765 0.006 1 427 1995 45 GLU HA H 5.067 0.003 1 428 1995 45 GLU HB2 H 2.131 0.015 1 429 1995 45 GLU HB3 H 1.916 0.015 1 430 1995 45 GLU HG2 H 2.301 0.015 2 431 1995 45 GLU HG3 H 2.301 0.015 2 432 1995 45 GLU C C 173.093 0.015 1 433 1995 45 GLU CA C 53.132 0.077 1 434 1995 45 GLU CB C 32.434 0.049 1 435 1995 45 GLU CG C 35.542 0.015 1 436 1995 45 GLU N N 124.577 0.051 1 437 1996 46 PRO HA H 4.822 0.004 1 438 1996 46 PRO HB2 H 2.462 0.015 1 439 1996 46 PRO HB3 H 1.993 0.015 1 440 1996 46 PRO HD2 H 3.820 0.015 2 441 1996 46 PRO HD3 H 3.820 0.015 2 442 1996 46 PRO HG2 H 2.127 0.015 1 443 1996 46 PRO HG3 H 2.030 0.015 1 444 1996 46 PRO C C 176.243 0.015 1 445 1996 46 PRO CA C 62.938 0.064 1 446 1996 46 PRO CB C 32.507 0.128 1 447 1996 46 PRO CD C 50.621 0.015 1 448 1996 46 PRO CG C 27.279 0.132 1 449 1997 47 CYS H H 8.123 0.005 1 450 1997 47 CYS HA H 5.025 0.009 1 451 1997 47 CYS HB2 H 2.765 0.015 2 452 1997 47 CYS HB3 H 2.765 0.015 2 453 1997 47 CYS C C 172.313 0.055 1 454 1997 47 CYS CA C 56.526 0.050 1 455 1997 47 CYS CB C 30.948 0.102 1 456 1997 47 CYS N N 117.893 0.067 1 457 1998 48 LEU H H 8.188 0.007 1 458 1998 48 LEU HA H 4.590 0.006 1 459 1998 48 LEU HB2 H 1.608 0.015 2 460 1998 48 LEU HB3 H 1.608 0.015 2 461 1998 48 LEU HD1 H 0.900 0.015 2 462 1998 48 LEU HD2 H 0.943 0.015 2 463 1998 48 LEU HG H 1.610 0.015 1 464 1998 48 LEU C C 176.054 0.008 1 465 1998 48 LEU CA C 54.486 0.036 1 466 1998 48 LEU CB C 43.830 0.080 1 467 1998 48 LEU CD1 C 23.994 0.015 2 468 1998 48 LEU CD2 C 24.519 0.015 2 469 1998 48 LEU CG C 26.665 0.015 1 470 1998 48 LEU N N 123.478 0.062 1 471 1999 49 LEU H H 8.314 0.008 1 472 1999 49 LEU HA H 4.990 0.009 1 473 1999 49 LEU HB2 H 1.647 0.002 1 474 1999 49 LEU HB3 H 1.356 0.015 1 475 1999 49 LEU HD1 H 0.798 0.015 2 476 1999 49 LEU HD2 H 0.716 0.015 2 477 1999 49 LEU HG H 1.532 0.015 1 478 1999 49 LEU C C 176.147 0.001 1 479 1999 49 LEU CA C 54.085 0.081 1 480 1999 49 LEU CB C 43.954 0.095 1 481 1999 49 LEU CD1 C 26.652 0.015 2 482 1999 49 LEU CD2 C 25.440 0.015 2 483 1999 49 LEU CG C 27.315 0.015 1 484 1999 49 LEU N N 124.773 0.047 1 485 2000 50 LYS H H 8.934 0.005 1 486 2000 50 LYS HA H 4.587 0.013 1 487 2000 50 LYS HB2 H 1.612 0.015 2 488 2000 50 LYS HB3 H 1.527 0.015 2 489 2000 50 LYS HD2 H 1.495 0.015 2 490 2000 50 LYS HD3 H 1.495 0.015 2 491 2000 50 LYS HE2 H 2.765 0.015 2 492 2000 50 LYS HE3 H 2.765 0.015 2 493 2000 50 LYS HG2 H 1.167 0.015 1 494 2000 50 LYS HG3 H 1.005 0.015 1 495 2000 50 LYS CA C 54.406 0.104 1 496 2000 50 LYS CB C 35.676 0.088 1 497 2000 50 LYS CD C 29.138 0.015 1 498 2000 50 LYS CE C 41.641 0.015 1 499 2000 50 LYS CG C 22.980 0.003 1 500 2000 50 LYS N N 121.541 0.052 1 501 2001 51 ARG H H 8.485 0.007 1 502 2001 51 ARG HA H 4.570 0.004 1 503 2001 51 ARG HB2 H 1.780 0.015 2 504 2001 51 ARG HB3 H 1.672 0.015 2 505 2001 51 ARG HD2 H 3.176 0.015 2 506 2001 51 ARG HD3 H 3.176 0.015 2 507 2001 51 ARG HG2 H 1.649 0.015 2 508 2001 51 ARG HG3 H 1.649 0.015 2 509 2001 51 ARG C C 176.149 0.019 1 510 2001 51 ARG CA C 55.156 0.057 1 511 2001 51 ARG CB C 29.622 0.070 1 512 2001 51 ARG CD C 42.410 0.015 1 513 2001 51 ARG CG C 27.108 0.003 1 514 2001 51 ARG N N 122.212 0.047 1 515 2002 52 LEU H H 8.888 0.006 1 516 2002 52 LEU HA H 4.423 0.001 1 517 2002 52 LEU HB2 H 1.891 0.015 1 518 2002 52 LEU HB3 H 1.619 0.015 1 519 2002 52 LEU HD1 H 0.740 0.015 2 520 2002 52 LEU HD2 H 0.667 0.010 2 521 2002 52 LEU HG H 1.577 0.015 1 522 2002 52 LEU C C 178.800 0.015 1 523 2002 52 LEU CA C 53.860 0.068 1 524 2002 52 LEU CB C 41.586 0.018 1 525 2002 52 LEU CD1 C 25.044 0.015 2 526 2002 52 LEU CD2 C 22.212 0.004 2 527 2002 52 LEU N N 127.371 0.057 1 528 2003 53 ARG H H 8.707 0.004 1 529 2003 53 ARG HA H 4.064 0.006 1 530 2003 53 ARG HB2 H 1.855 0.015 2 531 2003 53 ARG HB3 H 1.855 0.015 2 532 2003 53 ARG HD2 H 3.216 0.015 2 533 2003 53 ARG HD3 H 3.216 0.015 2 534 2003 53 ARG HG2 H 1.685 0.015 2 535 2003 53 ARG HG3 H 1.685 0.015 2 536 2003 53 ARG C C 176.924 0.015 1 537 2003 53 ARG CA C 58.718 0.089 1 538 2003 53 ARG CB C 29.755 0.096 1 539 2003 53 ARG CD C 43.247 0.015 1 540 2003 53 ARG CG C 27.240 0.064 1 541 2003 53 ARG N N 122.532 0.092 1 542 2004 54 ASN H H 7.858 0.005 1 543 2004 54 ASN HA H 4.534 0.012 1 544 2004 54 ASN HB2 H 3.149 0.005 2 545 2004 54 ASN HB3 H 2.805 0.006 2 546 2004 54 ASN HD21 H 7.414 0.015 2 547 2004 54 ASN HD22 H 6.457 0.015 2 548 2004 54 ASN C C 176.086 0.015 1 549 2004 54 ASN CA C 52.628 0.075 1 550 2004 54 ASN CB C 37.254 0.080 1 551 2004 54 ASN N N 115.512 0.049 1 552 2004 54 ASN ND2 N 110.284 0.003 1 553 2005 55 GLY H H 8.169 0.006 1 554 2005 55 GLY HA2 H 4.259 0.007 2 555 2005 55 GLY HA3 H 3.598 0.006 2 556 2005 55 GLY C C 174.613 0.005 1 557 2005 55 GLY CA C 45.206 0.080 1 558 2005 55 GLY N N 108.411 0.051 1 559 2006 56 HIS H H 7.752 0.006 1 560 2006 56 HIS HA H 4.793 0.009 1 561 2006 56 HIS HB2 H 3.352 0.008 2 562 2006 56 HIS HB3 H 3.171 0.006 2 563 2006 56 HIS HD2 H 6.929 0.015 1 564 2006 56 HIS HE1 H 7.757 0.015 1 565 2006 56 HIS C C 174.029 0.015 1 566 2006 56 HIS CA C 55.542 0.063 1 567 2006 56 HIS CB C 30.345 0.044 1 568 2006 56 HIS CD2 C 119.959 0.015 1 569 2006 56 HIS CE1 C 138.025 0.015 1 570 2006 56 HIS N N 121.332 0.062 1 571 2007 57 VAL H H 8.771 0.009 1 572 2007 57 VAL HA H 4.499 0.009 1 573 2007 57 VAL HB H 2.024 0.001 1 574 2007 57 VAL HG1 H 1.005 0.004 2 575 2007 57 VAL HG2 H 0.885 0.003 2 576 2007 57 VAL C C 175.093 0.007 1 577 2007 57 VAL CA C 62.741 0.194 1 578 2007 57 VAL CB C 33.057 0.044 1 579 2007 57 VAL CG1 C 22.751 0.015 2 580 2007 57 VAL CG2 C 22.388 0.015 2 581 2007 57 VAL N N 122.835 0.053 1 582 2008 58 GLY H H 9.082 0.006 1 583 2008 58 GLY HA2 H 4.930 0.015 2 584 2008 58 GLY HA3 H 3.595 0.015 2 585 2008 58 GLY C C 171.489 0.015 1 586 2008 58 GLY CA C 44.996 0.107 1 587 2008 58 GLY N N 114.220 0.054 1 588 2009 59 ILE H H 8.659 0.003 1 589 2009 59 ILE HA H 5.274 0.015 1 590 2009 59 ILE HB H 1.733 0.015 1 591 2009 59 ILE HD1 H 0.685 0.015 1 592 2009 59 ILE HG12 H 1.484 0.015 2 593 2009 59 ILE HG13 H 1.045 0.015 2 594 2009 59 ILE HG2 H 0.769 0.015 1 595 2009 59 ILE C C 175.308 0.015 1 596 2009 59 ILE CA C 58.003 0.053 1 597 2009 59 ILE CB C 41.517 0.092 1 598 2009 59 ILE CD1 C 15.019 0.015 1 599 2009 59 ILE CG1 C 26.438 0.001 1 600 2009 59 ILE CG2 C 19.381 0.015 1 601 2009 59 ILE N N 115.081 0.088 1 602 2010 60 SER H H 8.503 0.009 1 603 2010 60 SER HA H 5.634 0.015 1 604 2010 60 SER HB2 H 3.627 0.015 2 605 2010 60 SER HB3 H 3.510 0.015 2 606 2010 60 SER C C 174.285 0.015 1 607 2010 60 SER CA C 56.519 0.070 1 608 2010 60 SER CB C 64.689 0.029 1 609 2010 60 SER N N 117.687 0.061 1 610 2011 61 PHE H H 8.365 0.008 1 611 2011 61 PHE HA H 4.847 0.015 1 612 2011 61 PHE HB2 H 3.084 0.015 2 613 2011 61 PHE HB3 H 3.084 0.015 2 614 2011 61 PHE HD1 H 6.898 0.015 3 615 2011 61 PHE HD2 H 6.898 0.015 3 616 2011 61 PHE HE1 H 6.681 0.015 3 617 2011 61 PHE HE2 H 6.681 0.015 3 618 2011 61 PHE HZ H 6.898 0.015 1 619 2011 61 PHE C C 171.683 0.015 1 620 2011 61 PHE CA C 55.937 0.106 1 621 2011 61 PHE CB C 41.175 0.128 1 622 2011 61 PHE CD1 C 131.773 0.015 3 623 2011 61 PHE CE1 C 128.459 0.015 3 624 2011 61 PHE CZ C 131.773 0.015 1 625 2011 61 PHE N N 125.762 0.054 1 626 2012 62 VAL H H 8.570 0.015 1 627 2012 62 VAL HA H 4.175 0.015 1 628 2012 62 VAL HB H 1.924 0.015 1 629 2012 62 VAL HG1 H 0.776 0.015 2 630 2012 62 VAL HG2 H 0.708 0.015 2 631 2012 62 VAL CA C 58.960 0.072 1 632 2012 62 VAL CB C 32.015 0.015 1 633 2012 62 VAL CG1 C 20.617 0.015 2 634 2012 62 VAL CG2 C 20.865 0.015 2 635 2012 62 VAL N N 125.200 0.061 1 636 2013 63 PRO HA H 4.509 0.005 1 637 2013 63 PRO HB2 H 2.000 0.001 1 638 2013 63 PRO HB3 H 1.835 0.001 1 639 2013 63 PRO HD2 H 3.603 0.015 2 640 2013 63 PRO HD3 H 3.468 0.015 2 641 2013 63 PRO HG2 H 1.825 0.015 1 642 2013 63 PRO HG3 H 1.324 0.015 1 643 2013 63 PRO CA C 62.239 0.042 1 644 2013 63 PRO CB C 32.719 0.001 1 645 2013 63 PRO CD C 50.814 0.003 1 646 2013 63 PRO CG C 27.089 0.006 1 647 2014 64 LYS H H 9.956 0.006 1 648 2014 64 LYS HA H 4.472 0.015 1 649 2014 64 LYS HB2 H 2.021 0.015 2 650 2014 64 LYS HB3 H 1.856 0.015 2 651 2014 64 LYS HD2 H 1.748 0.015 2 652 2014 64 LYS HD3 H 1.707 0.015 2 653 2014 64 LYS HE2 H 3.054 0.015 2 654 2014 64 LYS HE3 H 2.992 0.015 2 655 2014 64 LYS HG2 H 1.556 0.015 2 656 2014 64 LYS HG3 H 1.480 0.015 2 657 2014 64 LYS C C 175.584 0.015 1 658 2014 64 LYS CA C 56.082 0.083 1 659 2014 64 LYS CB C 34.838 0.110 1 660 2014 64 LYS CD C 28.655 0.015 1 661 2014 64 LYS CE C 41.839 0.001 1 662 2014 64 LYS CG C 24.855 0.001 1 663 2014 64 LYS N N 122.221 0.078 1 664 2015 65 GLU H H 8.286 0.004 1 665 2015 65 GLU HA H 4.721 0.002 1 666 2015 65 GLU HB2 H 2.179 0.015 1 667 2015 65 GLU HB3 H 1.997 0.015 1 668 2015 65 GLU HG2 H 2.320 0.015 2 669 2015 65 GLU HG3 H 2.177 0.015 2 670 2015 65 GLU C C 174.135 0.020 1 671 2015 65 GLU CA C 54.124 0.065 1 672 2015 65 GLU CB C 33.245 0.085 1 673 2015 65 GLU CG C 35.812 0.008 1 674 2015 65 GLU N N 121.052 0.053 1 675 2016 66 THR H H 8.036 0.006 1 676 2016 66 THR HA H 4.325 0.008 1 677 2016 66 THR HB H 4.332 0.001 1 678 2016 66 THR HG2 H 1.107 0.001 1 679 2016 66 THR C C 174.838 0.015 1 680 2016 66 THR CA C 60.581 0.115 1 681 2016 66 THR CB C 70.457 0.109 1 682 2016 66 THR CG2 C 22.193 0.015 1 683 2016 66 THR N N 109.053 0.042 1 684 2017 67 GLY H H 9.062 0.005 1 685 2017 67 GLY HA2 H 4.764 0.015 2 686 2017 67 GLY HA3 H 3.865 0.015 2 687 2017 67 GLY C C 176.171 0.015 1 688 2017 67 GLY CA C 43.518 0.079 1 689 2017 67 GLY N N 106.870 0.063 1 690 2018 68 GLU H H 9.259 0.006 1 691 2018 68 GLU HA H 4.356 0.015 1 692 2018 68 GLU HB2 H 2.108 0.015 2 693 2018 68 GLU HB3 H 1.954 0.015 2 694 2018 68 GLU HG2 H 1.944 0.015 1 695 2018 68 GLU HG3 H 1.890 0.015 1 696 2018 68 GLU C C 174.944 0.015 1 697 2018 68 GLU CA C 58.477 0.075 1 698 2018 68 GLU CB C 30.178 0.129 1 699 2018 68 GLU CG C 37.415 0.004 1 700 2018 68 GLU N N 125.818 0.070 1 701 2019 69 HIS H H 9.783 0.004 1 702 2019 69 HIS HA H 4.761 0.008 1 703 2019 69 HIS HB2 H 3.143 0.008 1 704 2019 69 HIS HB3 H 2.480 0.008 1 705 2019 69 HIS HD1 H 10.761 0.015 1 706 2019 69 HIS HD2 H 6.493 0.015 1 707 2019 69 HIS HE1 H 7.813 0.015 1 708 2019 69 HIS C C 173.725 0.015 1 709 2019 69 HIS CA C 54.696 0.084 1 710 2019 69 HIS CB C 30.064 0.100 1 711 2019 69 HIS CD2 C 127.443 0.015 1 712 2019 69 HIS CE1 C 140.143 0.015 1 713 2019 69 HIS N N 129.575 0.051 1 714 2019 69 HIS ND1 N 164.640 0.015 1 715 2020 70 LEU H H 8.333 0.006 1 716 2020 70 LEU HA H 4.946 0.004 1 717 2020 70 LEU HB2 H 1.712 0.005 1 718 2020 70 LEU HB3 H 1.045 0.015 1 719 2020 70 LEU HD1 H 0.816 0.015 2 720 2020 70 LEU HD2 H 0.684 0.015 2 721 2020 70 LEU HG H 1.532 0.015 1 722 2020 70 LEU C C 175.535 0.021 1 723 2020 70 LEU CA C 53.185 0.072 1 724 2020 70 LEU CB C 44.293 0.105 1 725 2020 70 LEU CD1 C 24.780 0.015 2 726 2020 70 LEU CD2 C 22.903 0.015 2 727 2020 70 LEU CG C 27.315 0.015 1 728 2020 70 LEU N N 123.066 0.057 1 729 2021 71 VAL H H 9.308 0.005 1 730 2021 71 VAL HA H 4.580 0.008 1 731 2021 71 VAL HB H 2.191 0.015 1 732 2021 71 VAL HG1 H 0.748 0.015 2 733 2021 71 VAL HG2 H 0.748 0.015 2 734 2021 71 VAL C C 175.579 0.012 1 735 2021 71 VAL CA C 61.443 0.073 1 736 2021 71 VAL CB C 32.062 0.042 1 737 2021 71 VAL CG1 C 20.991 0.015 2 738 2021 71 VAL N N 126.967 0.058 1 739 2022 72 HIS H H 9.428 0.006 1 740 2022 72 HIS HA H 4.792 0.004 1 741 2022 72 HIS HB2 H 3.375 0.015 1 742 2022 72 HIS HB3 H 2.493 0.015 1 743 2022 72 HIS HD2 H 6.765 0.015 1 744 2022 72 HIS HE1 H 7.695 0.010 1 745 2022 72 HIS HE2 H 9.456 0.015 1 746 2022 72 HIS C C 175.163 0.014 1 747 2022 72 HIS CA C 55.020 0.070 1 748 2022 72 HIS CB C 32.799 0.097 1 749 2022 72 HIS CD2 C 116.625 0.015 1 750 2022 72 HIS CE1 C 138.009 0.024 1 751 2022 72 HIS N N 130.467 0.072 1 752 2023 73 VAL H H 9.513 0.003 1 753 2023 73 VAL HA H 4.801 0.015 1 754 2023 73 VAL HB H 1.904 0.015 1 755 2023 73 VAL HG1 H 0.814 0.015 2 756 2023 73 VAL HG2 H 0.792 0.015 2 757 2023 73 VAL CA C 61.488 0.079 1 758 2023 73 VAL CB C 33.135 0.084 1 759 2023 73 VAL CG1 C 22.452 0.015 2 760 2023 73 VAL CG2 C 20.885 0.015 2 761 2023 73 VAL N N 127.781 0.054 1 762 2024 74 LYS H H 8.706 0.006 1 763 2024 74 LYS HA H 5.068 0.014 1 764 2024 74 LYS HB2 H 1.432 0.015 2 765 2024 74 LYS HB3 H 1.016 0.015 2 766 2024 74 LYS HD2 H 1.184 0.015 2 767 2024 74 LYS HD3 H 0.938 0.015 2 768 2024 74 LYS HE2 H 2.264 0.015 2 769 2024 74 LYS HE3 H 1.997 0.015 2 770 2024 74 LYS HG2 H 0.904 0.015 2 771 2024 74 LYS HG3 H 0.349 0.015 2 772 2024 74 LYS C C 174.328 0.015 1 773 2024 74 LYS CA C 54.240 0.076 1 774 2024 74 LYS CB C 37.619 0.089 1 775 2024 74 LYS CD C 29.070 0.011 1 776 2024 74 LYS CE C 41.288 0.015 1 777 2024 74 LYS CG C 24.920 0.004 1 778 2024 74 LYS N N 125.379 0.046 1 779 2025 75 LYS H H 8.817 0.007 1 780 2025 75 LYS HA H 4.629 0.006 1 781 2025 75 LYS HB2 H 1.772 0.015 2 782 2025 75 LYS HB3 H 1.312 0.015 2 783 2025 75 LYS HD2 H 1.585 0.015 2 784 2025 75 LYS HD3 H 1.585 0.015 2 785 2025 75 LYS HE2 H 2.884 0.015 2 786 2025 75 LYS HE3 H 2.832 0.015 2 787 2025 75 LYS HG2 H 1.280 0.015 2 788 2025 75 LYS HG3 H 1.145 0.015 2 789 2025 75 LYS C C 176.794 0.017 1 790 2025 75 LYS CA C 55.038 0.077 1 791 2025 75 LYS CB C 35.590 0.049 1 792 2025 75 LYS CD C 29.552 0.015 1 793 2025 75 LYS CE C 41.841 0.006 1 794 2025 75 LYS CG C 24.797 0.007 1 795 2025 75 LYS N N 121.705 0.050 1 796 2026 76 ASN H H 9.543 0.006 1 797 2026 76 ASN HA H 4.369 0.015 1 798 2026 76 ASN HB2 H 3.108 0.003 1 799 2026 76 ASN HB3 H 2.737 0.005 1 800 2026 76 ASN HD21 H 7.656 0.015 2 801 2026 76 ASN HD22 H 6.868 0.015 2 802 2026 76 ASN C C 175.404 0.015 1 803 2026 76 ASN CA C 54.304 0.078 1 804 2026 76 ASN CB C 37.507 0.087 1 805 2026 76 ASN N N 128.940 0.043 1 806 2026 76 ASN ND2 N 113.703 0.048 1 807 2027 77 GLY H H 8.651 0.009 1 808 2027 77 GLY HA2 H 4.145 0.005 2 809 2027 77 GLY HA3 H 3.457 0.005 2 810 2027 77 GLY C C 173.373 0.015 1 811 2027 77 GLY CA C 45.396 0.081 1 812 2027 77 GLY N N 103.452 0.044 1 813 2028 78 GLN H H 7.609 0.007 1 814 2028 78 GLN HA H 4.708 0.006 1 815 2028 78 GLN HB2 H 2.162 0.015 2 816 2028 78 GLN HB3 H 1.953 0.015 2 817 2028 78 GLN HE21 H 7.551 0.015 2 818 2028 78 GLN HE22 H 6.875 0.015 2 819 2028 78 GLN HG2 H 2.396 0.015 2 820 2028 78 GLN HG3 H 2.342 0.015 2 821 2028 78 GLN C C 175.621 0.020 1 822 2028 78 GLN CA C 53.292 0.064 1 823 2028 78 GLN CB C 30.933 0.066 1 824 2028 78 GLN CG C 33.091 0.112 1 825 2028 78 GLN N N 120.477 0.054 1 826 2028 78 GLN NE2 N 113.828 0.008 1 827 2029 79 HIS H H 8.722 0.011 1 828 2029 79 HIS HA H 4.520 0.003 1 829 2029 79 HIS HB2 H 3.163 0.006 2 830 2029 79 HIS HB3 H 2.911 0.007 2 831 2029 79 HIS HD2 H 7.119 0.015 1 832 2029 79 HIS HE1 H 8.242 0.015 1 833 2029 79 HIS C C 177.736 0.015 1 834 2029 79 HIS CA C 59.027 0.062 1 835 2029 79 HIS CB C 32.110 0.121 1 836 2029 79 HIS CD2 C 117.392 0.015 1 837 2029 79 HIS CE1 C 137.476 0.015 1 838 2029 79 HIS N N 124.645 0.036 1 839 2030 80 VAL H H 8.268 0.007 1 840 2030 80 VAL HA H 4.527 0.004 1 841 2030 80 VAL HB H 2.444 0.015 1 842 2030 80 VAL HG1 H 0.930 0.015 2 843 2030 80 VAL HG2 H 0.833 0.015 2 844 2030 80 VAL C C 176.272 0.018 1 845 2030 80 VAL CA C 60.228 0.066 1 846 2030 80 VAL CB C 32.685 0.129 1 847 2030 80 VAL CG1 C 22.372 0.015 2 848 2030 80 VAL CG2 C 18.546 0.015 2 849 2030 80 VAL N N 117.915 0.053 1 850 2031 81 ALA H H 8.677 0.005 1 851 2031 81 ALA HA H 4.108 0.010 1 852 2031 81 ALA HB H 1.431 0.006 1 853 2031 81 ALA C C 178.300 0.030 1 854 2031 81 ALA CA C 54.480 0.155 1 855 2031 81 ALA CB C 17.889 0.084 1 856 2031 81 ALA N N 124.522 0.064 1 857 2032 82 SER H H 8.160 0.011 1 858 2032 82 SER HA H 4.147 0.015 1 859 2032 82 SER HB2 H 4.113 0.015 2 860 2032 82 SER HB3 H 3.958 0.015 2 861 2032 82 SER C C 172.641 0.015 1 862 2032 82 SER CA C 59.771 0.084 1 863 2032 82 SER CB C 62.820 0.070 1 864 2032 82 SER N N 112.384 0.068 1 865 2033 83 SER H H 7.720 0.005 1 866 2033 83 SER HA H 4.340 0.015 1 867 2033 83 SER HB2 H 4.652 0.015 2 868 2033 83 SER HB3 H 4.356 0.015 2 869 2033 83 SER C C 173.615 0.015 1 870 2033 83 SER CA C 55.449 0.053 1 871 2033 83 SER CB C 63.324 0.010 1 872 2033 83 SER N N 115.802 0.055 1 873 2034 84 PRO HA H 5.381 0.015 1 874 2034 84 PRO HB2 H 1.404 0.015 2 875 2034 84 PRO HB3 H 1.278 0.015 2 876 2034 84 PRO HD2 H 3.267 0.015 2 877 2034 84 PRO HD3 H 2.608 0.015 2 878 2034 84 PRO HG2 H 1.702 0.015 1 879 2034 84 PRO HG3 H 1.436 0.015 1 880 2034 84 PRO CA C 62.012 0.086 1 881 2034 84 PRO CB C 34.450 0.118 1 882 2034 84 PRO CD C 49.836 0.005 1 883 2034 84 PRO CG C 24.443 0.009 1 884 2035 85 ILE H H 9.282 0.002 1 885 2035 85 ILE HA H 4.585 0.009 1 886 2035 85 ILE HB H 1.750 0.005 1 887 2035 85 ILE HD1 H 0.823 0.015 1 888 2035 85 ILE HG12 H 1.603 0.015 1 889 2035 85 ILE HG13 H 1.132 0.015 1 890 2035 85 ILE HG2 H 0.885 0.015 1 891 2035 85 ILE CA C 58.693 0.015 1 892 2035 85 ILE CB C 41.897 0.087 1 893 2035 85 ILE CD1 C 15.250 0.015 1 894 2035 85 ILE CG1 C 28.334 0.007 1 895 2035 85 ILE CG2 C 17.751 0.015 1 896 2035 85 ILE N N 125.351 0.052 1 897 2036 86 PRO HA H 5.225 0.015 1 898 2036 86 PRO HB2 H 2.092 0.015 2 899 2036 86 PRO HB3 H 1.858 0.015 2 900 2036 86 PRO HD2 H 4.041 0.015 1 901 2036 86 PRO HD3 H 3.806 0.015 1 902 2036 86 PRO HG2 H 2.208 0.015 1 903 2036 86 PRO HG3 H 1.920 0.015 1 904 2036 86 PRO C C 177.140 0.015 1 905 2036 86 PRO CA C 61.888 0.070 1 906 2036 86 PRO CB C 31.872 0.038 1 907 2036 86 PRO CD C 50.807 0.002 1 908 2036 86 PRO CG C 27.056 0.015 1 909 2037 87 VAL H H 9.205 0.004 1 910 2037 87 VAL HA H 4.327 0.007 1 911 2037 87 VAL HB H 1.858 0.015 1 912 2037 87 VAL HG1 H 0.837 0.015 2 913 2037 87 VAL HG2 H 0.837 0.015 2 914 2037 87 VAL C C 174.638 0.015 1 915 2037 87 VAL CA C 61.356 0.070 1 916 2037 87 VAL CB C 35.365 0.035 1 917 2037 87 VAL CG1 C 20.820 0.015 2 918 2037 87 VAL N N 124.996 0.048 1 919 2038 88 VAL H H 8.951 0.006 1 920 2038 88 VAL HA H 4.281 0.003 1 921 2038 88 VAL HB H 2.002 0.015 1 922 2038 88 VAL HG1 H 0.953 0.001 1 923 2038 88 VAL HG2 H 0.797 0.001 1 924 2038 88 VAL C C 175.207 0.015 1 925 2038 88 VAL CA C 62.558 0.168 1 926 2038 88 VAL CB C 32.144 0.033 1 927 2038 88 VAL CG1 C 21.371 0.015 1 928 2038 88 VAL CG2 C 21.285 0.015 1 929 2038 88 VAL N N 129.367 0.052 1 930 2039 89 ILE H H 7.997 0.003 1 931 2039 89 ILE HA H 4.559 0.015 1 932 2039 89 ILE HB H 2.350 0.008 1 933 2039 89 ILE HD1 H 0.464 0.015 1 934 2039 89 ILE HG12 H 1.309 0.004 1 935 2039 89 ILE HG13 H 0.712 0.003 1 936 2039 89 ILE HG2 H 0.914 0.015 1 937 2039 89 ILE CA C 57.391 0.071 1 938 2039 89 ILE CB C 36.834 0.041 1 939 2039 89 ILE CD1 C 8.937 0.015 1 940 2039 89 ILE CG1 C 25.907 0.006 1 941 2039 89 ILE CG2 C 17.191 0.015 1 942 2039 89 ILE N N 130.575 0.040 1 943 2040 90 SER H H 9.350 0.015 1 944 2040 90 SER HA H 4.803 0.004 1 945 2040 90 SER HB2 H 4.081 0.015 2 946 2040 90 SER HB3 H 3.961 0.015 2 947 2040 90 SER CA C 57.448 0.015 1 948 2040 90 SER CB C 65.414 0.015 1 949 2041 91 GLN H H 8.890 0.015 1 950 2041 91 GLN HA H 3.942 0.015 1 951 2041 91 GLN HB2 H 2.172 0.015 2 952 2041 91 GLN HB3 H 2.076 0.015 2 953 2041 91 GLN HE21 H 7.541 0.015 2 954 2041 91 GLN HE22 H 6.899 0.015 2 955 2041 91 GLN HG2 H 2.418 0.015 2 956 2041 91 GLN HG3 H 2.418 0.015 2 957 2041 91 GLN CA C 58.327 0.015 1 958 2041 91 GLN CB C 28.413 0.002 1 959 2041 91 GLN CG C 33.266 0.015 1 960 2041 91 GLN NE2 N 113.981 0.021 1 961 2042 92 SER H H 8.131 0.015 1 962 2042 92 SER HA H 4.229 0.001 1 963 2042 92 SER HB2 H 3.837 0.015 2 964 2042 92 SER HB3 H 3.813 0.015 2 965 2042 92 SER CA C 59.773 0.001 1 966 2042 92 SER CB C 62.862 0.003 1 967 2043 93 GLU H H 7.725 0.015 1 968 2043 93 GLU HA H 4.091 0.003 1 969 2043 93 GLU HB2 H 2.225 0.015 2 970 2043 93 GLU HB3 H 2.119 0.015 2 971 2043 93 GLU HG2 H 2.197 0.015 2 972 2043 93 GLU HG3 H 2.133 0.015 2 973 2043 93 GLU CA C 56.998 0.009 1 974 2043 93 GLU CB C 30.661 0.015 1 975 2043 93 GLU CG C 37.811 0.004 1 976 2044 94 ILE H H 8.316 0.015 1 977 2044 94 ILE HA H 4.061 0.005 1 978 2044 94 ILE HB H 1.958 0.015 1 979 2044 94 ILE HD1 H 0.540 0.015 1 980 2044 94 ILE HG12 H 1.350 0.015 2 981 2044 94 ILE HG13 H 1.282 0.015 2 982 2044 94 ILE HG2 H 0.923 0.015 1 983 2044 94 ILE CA C 59.992 0.083 1 984 2044 94 ILE CB C 36.636 0.057 1 985 2044 94 ILE CD1 C 10.700 0.015 1 986 2044 94 ILE CG1 C 26.991 0.015 1 987 2044 94 ILE CG2 C 17.145 0.015 1 988 2045 95 GLY H H 8.342 0.002 1 989 2045 95 GLY HA2 H 4.591 0.015 2 990 2045 95 GLY HA3 H 3.429 0.015 2 991 2045 95 GLY C C 173.867 0.015 1 992 2045 95 GLY CA C 46.688 0.098 1 993 2045 95 GLY N N 115.854 0.046 1 994 2046 96 ASP H H 8.649 0.004 1 995 2046 96 ASP HA H 4.925 0.002 1 996 2046 96 ASP HB2 H 2.721 0.015 2 997 2046 96 ASP HB3 H 2.507 0.015 2 998 2046 96 ASP C C 176.242 0.015 1 999 2046 96 ASP CA C 52.411 0.063 1 1000 2046 96 ASP CB C 42.188 0.065 1 1001 2046 96 ASP N N 124.290 0.051 1 1002 2047 97 ALA H H 9.174 0.006 1 1003 2047 97 ALA HA H 3.970 0.007 1 1004 2047 97 ALA HB H 1.691 0.005 1 1005 2047 97 ALA C C 178.546 0.012 1 1006 2047 97 ALA CA C 55.012 0.086 1 1007 2047 97 ALA CB C 19.956 0.079 1 1008 2047 97 ALA N N 128.447 0.051 1 1009 2048 98 SER H H 8.370 0.006 1 1010 2048 98 SER HA H 4.247 0.016 1 1011 2048 98 SER HB2 H 3.963 0.006 2 1012 2048 98 SER HB3 H 3.963 0.006 2 1013 2048 98 SER C C 175.490 0.015 1 1014 2048 98 SER CA C 60.959 0.089 1 1015 2048 98 SER CB C 62.809 0.061 1 1016 2048 98 SER N N 111.590 0.046 1 1017 2049 99 ARG H H 7.510 0.005 1 1018 2049 99 ARG HA H 4.327 0.006 1 1019 2049 99 ARG HB2 H 1.898 0.015 2 1020 2049 99 ARG HB3 H 1.488 0.015 2 1021 2049 99 ARG HD2 H 3.217 0.015 2 1022 2049 99 ARG HD3 H 3.217 0.015 2 1023 2049 99 ARG HG2 H 1.586 0.015 2 1024 2049 99 ARG HG3 H 1.425 0.015 2 1025 2049 99 ARG C C 176.603 0.010 1 1026 2049 99 ARG CA C 55.508 0.074 1 1027 2049 99 ARG CB C 31.289 0.072 1 1028 2049 99 ARG CD C 43.117 0.015 1 1029 2049 99 ARG CG C 27.980 0.071 1 1030 2049 99 ARG N N 120.417 0.054 1 1031 2050 100 VAL H H 7.435 0.004 1 1032 2050 100 VAL HA H 3.607 0.009 1 1033 2050 100 VAL HB H 2.072 0.006 1 1034 2050 100 VAL HG1 H 0.627 0.001 1 1035 2050 100 VAL HG2 H 0.314 0.001 1 1036 2050 100 VAL C C 174.810 0.015 1 1037 2050 100 VAL CA C 63.502 0.140 1 1038 2050 100 VAL CB C 31.739 0.026 1 1039 2050 100 VAL CG1 C 21.780 0.090 1 1040 2050 100 VAL CG2 C 24.162 0.103 1 1041 2050 100 VAL N N 124.107 0.057 1 1042 2051 101 ARG H H 8.088 0.006 1 1043 2051 101 ARG HA H 4.826 0.010 1 1044 2051 101 ARG HB2 H 1.916 0.015 2 1045 2051 101 ARG HB3 H 1.764 0.015 2 1046 2051 101 ARG HD2 H 3.295 0.015 2 1047 2051 101 ARG HD3 H 3.139 0.015 2 1048 2051 101 ARG HG2 H 1.583 0.015 2 1049 2051 101 ARG HG3 H 1.583 0.015 2 1050 2051 101 ARG C C 174.926 0.017 1 1051 2051 101 ARG CA C 54.557 0.063 1 1052 2051 101 ARG CB C 33.011 0.079 1 1053 2051 101 ARG CD C 43.047 0.002 1 1054 2051 101 ARG CG C 27.693 0.136 1 1055 2051 101 ARG N N 128.056 0.055 1 1056 2052 102 VAL H H 8.345 0.007 1 1057 2052 102 VAL HA H 5.500 0.007 1 1058 2052 102 VAL HB H 1.964 0.004 1 1059 2052 102 VAL HG1 H 0.928 0.015 2 1060 2052 102 VAL HG2 H 0.905 0.005 2 1061 2052 102 VAL C C 174.892 0.015 1 1062 2052 102 VAL CA C 58.759 0.131 1 1063 2052 102 VAL CB C 34.626 0.102 1 1064 2052 102 VAL CG1 C 23.332 0.113 2 1065 2052 102 VAL CG2 C 20.679 0.126 2 1066 2052 102 VAL N N 119.624 0.055 1 1067 2053 103 SER H H 8.600 0.006 1 1068 2053 103 SER HA H 4.633 0.015 1 1069 2053 103 SER HB2 H 3.884 0.015 2 1070 2053 103 SER HB3 H 3.828 0.015 2 1071 2053 103 SER C C 172.656 0.015 1 1072 2053 103 SER CA C 57.851 0.073 1 1073 2053 103 SER CB C 65.325 0.055 1 1074 2053 103 SER N N 116.944 0.052 1 1075 2054 104 GLY H H 8.512 0.003 1 1076 2054 104 GLY HA2 H 4.983 0.015 1 1077 2054 104 GLY HA3 H 3.993 0.015 1 1078 2054 104 GLY C C 174.981 0.015 1 1079 2054 104 GLY CA C 44.747 0.079 1 1080 2054 104 GLY N N 110.995 0.050 1 1081 2055 105 GLN H H 9.061 0.004 1 1082 2055 105 GLN HA H 4.301 0.009 1 1083 2055 105 GLN HB2 H 2.288 0.015 2 1084 2055 105 GLN HB3 H 2.288 0.015 2 1085 2055 105 GLN HE21 H 7.671 0.015 2 1086 2055 105 GLN HE22 H 6.921 0.015 2 1087 2055 105 GLN HG2 H 2.607 0.015 2 1088 2055 105 GLN HG3 H 2.607 0.015 2 1089 2055 105 GLN C C 178.335 0.015 1 1090 2055 105 GLN CA C 58.805 0.070 1 1091 2055 105 GLN CB C 28.826 0.015 1 1092 2055 105 GLN CG C 34.070 0.107 1 1093 2055 105 GLN N N 123.455 0.056 1 1094 2055 105 GLN NE2 N 113.142 0.015 1 1095 2056 106 GLY H H 8.858 0.005 1 1096 2056 106 GLY HA2 H 4.411 0.001 1 1097 2056 106 GLY HA3 H 3.576 0.006 1 1098 2056 106 GLY C C 172.707 0.015 1 1099 2056 106 GLY CA C 46.381 0.078 1 1100 2056 106 GLY N N 106.523 0.050 1 1101 2057 107 LEU H H 6.962 0.005 1 1102 2057 107 LEU HA H 3.632 0.009 1 1103 2057 107 LEU HB2 H 0.940 0.015 1 1104 2057 107 LEU HB3 H 0.662 0.015 1 1105 2057 107 LEU HD1 H 0.022 0.015 1 1106 2057 107 LEU HD2 H -1.117 0.015 1 1107 2057 107 LEU HG H 0.565 0.015 1 1108 2057 107 LEU C C 174.822 0.015 1 1109 2057 107 LEU CA C 54.613 0.137 1 1110 2057 107 LEU CB C 40.886 0.082 1 1111 2057 107 LEU CD1 C 24.061 0.015 1 1112 2057 107 LEU CD2 C 19.383 0.015 1 1113 2057 107 LEU CG C 25.457 0.015 1 1114 2057 107 LEU N N 117.276 0.047 1 1115 2058 108 HIS H H 7.911 0.005 1 1116 2058 108 HIS HA H 4.999 0.005 1 1117 2058 108 HIS HB2 H 3.363 0.004 1 1118 2058 108 HIS HB3 H 3.189 0.004 1 1119 2058 108 HIS HD2 H 7.231 0.015 1 1120 2058 108 HIS HE1 H 8.242 0.015 1 1121 2058 108 HIS C C 174.901 0.023 1 1122 2058 108 HIS CA C 56.621 0.049 1 1123 2058 108 HIS CB C 32.715 0.076 1 1124 2058 108 HIS CD2 C 121.996 0.015 1 1125 2058 108 HIS CE1 C 137.476 0.015 1 1126 2058 108 HIS N N 113.633 0.058 1 1127 2059 109 GLU H H 8.476 0.007 1 1128 2059 109 GLU HA H 5.222 0.007 1 1129 2059 109 GLU HB2 H 2.119 0.015 2 1130 2059 109 GLU HB3 H 2.031 0.015 2 1131 2059 109 GLU HG2 H 2.202 0.015 2 1132 2059 109 GLU HG3 H 2.124 0.015 2 1133 2059 109 GLU C C 173.737 0.025 1 1134 2059 109 GLU CA C 55.214 0.061 1 1135 2059 109 GLU CB C 33.516 0.082 1 1136 2059 109 GLU CG C 35.654 0.105 1 1137 2059 109 GLU N N 120.742 0.053 1 1138 2060 110 GLY H H 7.994 0.007 1 1139 2060 110 GLY HA2 H 4.270 0.005 2 1140 2060 110 GLY HA3 H 3.593 0.004 2 1141 2060 110 GLY C C 171.249 0.038 1 1142 2060 110 GLY CA C 44.356 0.095 1 1143 2060 110 GLY N N 106.743 0.054 1 1144 2061 111 HIS H H 9.846 0.010 1 1145 2061 111 HIS HA H 5.546 0.005 1 1146 2061 111 HIS HB2 H 2.998 0.001 2 1147 2061 111 HIS HB3 H 2.767 0.004 2 1148 2061 111 HIS HD2 H 7.234 0.015 1 1149 2061 111 HIS HE1 H 8.341 0.015 1 1150 2061 111 HIS C C 174.405 0.030 1 1151 2061 111 HIS CA C 53.524 0.151 1 1152 2061 111 HIS CB C 32.135 0.094 1 1153 2061 111 HIS CD2 C 120.618 0.015 1 1154 2061 111 HIS CE1 C 136.320 0.015 1 1155 2061 111 HIS N N 121.886 0.056 1 1156 2062 112 THR H H 8.189 0.005 1 1157 2062 112 THR HA H 3.476 0.003 1 1158 2062 112 THR HB H 3.588 0.002 1 1159 2062 112 THR HG2 H 0.414 0.003 1 1160 2062 112 THR CA C 62.506 0.143 1 1161 2062 112 THR CB C 67.625 0.099 1 1162 2062 112 THR CG2 C 23.092 0.015 1 1163 2062 112 THR N N 115.612 0.053 1 1164 2063 113 PHE HA H 3.591 0.015 1 1165 2063 113 PHE HB2 H 3.325 0.015 2 1166 2063 113 PHE HB3 H 3.325 0.015 2 1167 2063 113 PHE HD1 H 7.181 0.015 3 1168 2063 113 PHE HD2 H 7.181 0.015 3 1169 2063 113 PHE HE1 H 7.358 0.015 3 1170 2063 113 PHE HE2 H 7.358 0.015 3 1171 2063 113 PHE HZ H 7.230 0.015 1 1172 2063 113 PHE CA C 60.927 0.031 1 1173 2063 113 PHE CB C 36.168 0.075 1 1174 2063 113 PHE CD1 C 131.285 0.015 3 1175 2063 113 PHE CE1 C 131.459 0.015 3 1176 2063 113 PHE CZ C 129.538 0.015 1 1177 2064 114 GLU H H 7.892 0.004 1 1178 2064 114 GLU HA H 4.923 0.015 1 1179 2064 114 GLU HB2 H 2.041 0.015 1 1180 2064 114 GLU HB3 H 1.835 0.015 1 1181 2064 114 GLU HG2 H 2.232 0.015 2 1182 2064 114 GLU HG3 H 2.184 0.015 2 1183 2064 114 GLU CA C 52.786 0.067 1 1184 2064 114 GLU CB C 31.335 0.035 1 1185 2064 114 GLU CG C 35.559 0.003 1 1186 2064 114 GLU N N 122.179 0.050 1 1187 2065 115 PRO HA H 4.357 0.004 1 1188 2065 115 PRO HB2 H 2.004 0.015 1 1189 2065 115 PRO HB3 H 1.724 0.015 1 1190 2065 115 PRO HD2 H 3.786 0.015 2 1191 2065 115 PRO HD3 H 3.681 0.015 2 1192 2065 115 PRO HG2 H 2.096 0.015 1 1193 2065 115 PRO HG3 H 1.891 0.015 1 1194 2065 115 PRO C C 175.703 0.009 1 1195 2065 115 PRO CA C 62.768 0.083 1 1196 2065 115 PRO CB C 31.509 0.080 1 1197 2065 115 PRO CD C 50.303 0.002 1 1198 2065 115 PRO CG C 27.465 0.002 1 1199 2066 116 ALA H H 8.898 0.007 1 1200 2066 116 ALA HA H 4.573 0.005 1 1201 2066 116 ALA HB H 0.742 0.015 1 1202 2066 116 ALA C C 175.621 0.015 1 1203 2066 116 ALA CA C 50.491 0.073 1 1204 2066 116 ALA CB C 20.120 0.072 1 1205 2066 116 ALA N N 131.880 0.062 1 1206 2067 117 GLU H H 8.741 0.009 1 1207 2067 117 GLU HA H 5.853 0.006 1 1208 2067 117 GLU HB2 H 1.832 0.015 2 1209 2067 117 GLU HB3 H 1.832 0.015 2 1210 2067 117 GLU HG2 H 2.127 0.015 2 1211 2067 117 GLU HG3 H 2.021 0.015 2 1212 2067 117 GLU C C 176.194 0.015 1 1213 2067 117 GLU CA C 53.905 0.069 1 1214 2067 117 GLU CB C 35.272 0.091 1 1215 2067 117 GLU CG C 36.103 0.116 1 1216 2067 117 GLU N N 119.111 0.052 1 1217 2068 118 PHE H H 8.717 0.007 1 1218 2068 118 PHE HA H 5.130 0.004 1 1219 2068 118 PHE HB2 H 2.967 0.015 1 1220 2068 118 PHE HB3 H 2.875 0.015 1 1221 2068 118 PHE HD1 H 6.641 0.015 3 1222 2068 118 PHE HD2 H 6.641 0.015 3 1223 2068 118 PHE HE1 H 6.907 0.015 3 1224 2068 118 PHE HE2 H 6.907 0.015 3 1225 2068 118 PHE HZ H 6.766 0.015 1 1226 2068 118 PHE C C 171.806 0.007 1 1227 2068 118 PHE CA C 56.911 0.066 1 1228 2068 118 PHE CB C 40.754 0.021 1 1229 2068 118 PHE CD1 C 132.105 0.015 3 1230 2068 118 PHE CE1 C 130.189 0.015 3 1231 2068 118 PHE CZ C 127.786 0.015 1 1232 2068 118 PHE N N 117.317 0.047 1 1233 2069 119 ILE H H 9.361 0.003 1 1234 2069 119 ILE HA H 5.147 0.015 1 1235 2069 119 ILE HB H 1.865 0.015 1 1236 2069 119 ILE HD1 H 0.748 0.015 1 1237 2069 119 ILE HG12 H 1.477 0.015 1 1238 2069 119 ILE HG13 H 1.217 0.015 1 1239 2069 119 ILE HG2 H 0.798 0.015 1 1240 2069 119 ILE CA C 58.591 0.070 1 1241 2069 119 ILE CB C 40.163 0.077 1 1242 2069 119 ILE CD1 C 11.579 0.015 1 1243 2069 119 ILE CG1 C 27.341 0.003 1 1244 2069 119 ILE CG2 C 17.231 0.015 1 1245 2069 119 ILE N N 120.517 0.043 1 1246 2070 120 ILE H H 9.281 0.004 1 1247 2070 120 ILE HA H 4.556 0.015 1 1248 2070 120 ILE HB H 1.713 0.015 1 1249 2070 120 ILE HD1 H 0.974 0.015 1 1250 2070 120 ILE HG12 H 1.861 0.015 1 1251 2070 120 ILE HG13 H 1.045 0.015 1 1252 2070 120 ILE HG2 H 0.830 0.015 1 1253 2070 120 ILE C C 174.070 0.015 1 1254 2070 120 ILE CA C 60.772 0.060 1 1255 2070 120 ILE CB C 40.485 0.086 1 1256 2070 120 ILE CD1 C 15.995 0.015 1 1257 2070 120 ILE CG1 C 27.258 0.008 1 1258 2070 120 ILE CG2 C 18.193 0.015 1 1259 2070 120 ILE N N 125.369 0.045 1 1260 2071 121 ASP H H 9.152 0.005 1 1261 2071 121 ASP HA H 5.101 0.005 1 1262 2071 121 ASP HB2 H 3.193 0.015 2 1263 2071 121 ASP HB3 H 2.371 0.015 2 1264 2071 121 ASP C C 177.273 0.015 1 1265 2071 121 ASP CA C 51.991 0.059 1 1266 2071 121 ASP CB C 42.478 0.074 1 1267 2071 121 ASP N N 127.504 0.040 1 1268 2072 122 THR H H 9.333 0.006 1 1269 2072 122 THR HA H 4.147 0.004 1 1270 2072 122 THR HB H 4.322 0.005 1 1271 2072 122 THR HG2 H 0.885 0.005 1 1272 2072 122 THR C C 176.442 0.015 1 1273 2072 122 THR CA C 60.876 0.133 1 1274 2072 122 THR CB C 67.809 0.103 1 1275 2072 122 THR CG2 C 21.893 0.015 1 1276 2072 122 THR N N 118.942 0.053 1 1277 2073 123 ARG H H 8.472 0.007 1 1278 2073 123 ARG HA H 3.964 0.007 1 1279 2073 123 ARG HB2 H 1.918 0.015 2 1280 2073 123 ARG HB3 H 1.821 0.015 2 1281 2073 123 ARG HD2 H 3.496 0.015 2 1282 2073 123 ARG HD3 H 3.155 0.015 2 1283 2073 123 ARG HE H 7.795 0.015 1 1284 2073 123 ARG HG2 H 1.815 0.015 2 1285 2073 123 ARG HG3 H 1.815 0.015 2 1286 2073 123 ARG C C 177.765 0.015 1 1287 2073 123 ARG CA C 60.166 0.057 1 1288 2073 123 ARG CB C 30.687 0.072 1 1289 2073 123 ARG CD C 43.318 0.001 1 1290 2073 123 ARG CG C 26.656 0.015 1 1291 2073 123 ARG N N 124.176 0.056 1 1292 2073 123 ARG NE N 86.202 0.015 1 1293 2074 124 ASP H H 8.620 0.005 1 1294 2074 124 ASP HA H 4.963 0.005 1 1295 2074 124 ASP HB2 H 2.857 0.002 1 1296 2074 124 ASP HB3 H 2.324 0.005 1 1297 2074 124 ASP C C 175.801 0.015 1 1298 2074 124 ASP CA C 53.657 0.056 1 1299 2074 124 ASP CB C 41.883 0.086 1 1300 2074 124 ASP N N 117.461 0.048 1 1301 2075 125 ALA H H 7.429 0.005 1 1302 2075 125 ALA HA H 4.194 0.007 1 1303 2075 125 ALA HB H 0.764 0.003 1 1304 2075 125 ALA C C 175.483 0.015 1 1305 2075 125 ALA CA C 52.277 0.059 1 1306 2075 125 ALA CB C 21.817 0.097 1 1307 2075 125 ALA N N 122.822 0.052 1 1308 2076 126 GLY H H 7.977 0.009 1 1309 2076 126 GLY HA2 H 3.850 0.015 2 1310 2076 126 GLY HA3 H 3.369 0.015 2 1311 2076 126 GLY CA C 44.347 0.084 1 1312 2076 126 GLY N N 107.128 0.050 1 1313 2077 127 TYR H H 7.939 0.015 1 1314 2077 127 TYR HA H 4.914 0.015 1 1315 2077 127 TYR HB2 H 2.998 0.015 1 1316 2077 127 TYR HB3 H 2.783 0.015 1 1317 2077 127 TYR HD1 H 7.046 0.005 3 1318 2077 127 TYR HD2 H 7.046 0.005 3 1319 2077 127 TYR HE1 H 6.749 0.015 3 1320 2077 127 TYR HE2 H 6.749 0.015 3 1321 2077 127 TYR CA C 57.069 0.015 1 1322 2077 127 TYR CB C 39.406 0.003 1 1323 2077 127 TYR CD1 C 132.650 0.019 3 1324 2077 127 TYR CE1 C 117.952 0.015 3 1325 2078 128 GLY HA2 H 3.595 0.015 2 1326 2078 128 GLY HA3 H 3.053 0.015 2 1327 2078 128 GLY CA C 44.678 0.100 1 1328 2079 129 GLY H H 8.154 0.003 1 1329 2079 129 GLY HA2 H 4.246 0.006 1 1330 2079 129 GLY HA3 H 3.474 0.012 1 1331 2079 129 GLY C C 171.739 0.860 1 1332 2079 129 GLY CA C 44.389 0.091 1 1333 2079 129 GLY N N 107.417 0.046 1 1334 2080 130 LEU H H 8.617 0.005 1 1335 2080 130 LEU HA H 5.415 0.015 1 1336 2080 130 LEU HB2 H 1.778 0.015 1 1337 2080 130 LEU HB3 H 1.721 0.015 1 1338 2080 130 LEU HD1 H 0.972 0.015 2 1339 2080 130 LEU HD2 H 0.934 0.015 2 1340 2080 130 LEU HG H 1.685 0.015 1 1341 2080 130 LEU C C 175.999 0.015 1 1342 2080 130 LEU CA C 53.595 0.065 1 1343 2080 130 LEU CB C 45.061 0.103 1 1344 2080 130 LEU CD1 C 24.469 0.015 2 1345 2080 130 LEU CD2 C 25.015 0.015 2 1346 2080 130 LEU CG C 27.567 0.015 1 1347 2080 130 LEU N N 126.932 0.058 1 1348 2081 131 SER H H 9.299 0.002 1 1349 2081 131 SER HA H 4.997 0.015 1 1350 2081 131 SER HB2 H 3.691 0.015 2 1351 2081 131 SER HB3 H 3.656 0.015 2 1352 2081 131 SER C C 172.410 0.015 1 1353 2081 131 SER CA C 56.842 0.073 1 1354 2081 131 SER CB C 65.054 0.060 1 1355 2081 131 SER N N 121.817 0.046 1 1356 2082 132 LEU H H 8.954 0.005 1 1357 2082 132 LEU HA H 5.504 0.007 1 1358 2082 132 LEU HB2 H 1.654 0.004 1 1359 2082 132 LEU HB3 H 1.516 0.002 1 1360 2082 132 LEU HD1 H 0.915 0.015 2 1361 2082 132 LEU HD2 H 0.876 0.015 2 1362 2082 132 LEU HG H 1.668 0.015 1 1363 2082 132 LEU C C 175.853 0.015 1 1364 2082 132 LEU CA C 53.305 0.140 1 1365 2082 132 LEU CB C 45.818 0.080 1 1366 2082 132 LEU CD1 C 26.822 0.015 2 1367 2082 132 LEU CD2 C 26.197 0.015 2 1368 2082 132 LEU CG C 27.653 0.015 1 1369 2082 132 LEU N N 127.960 0.059 1 1370 2083 133 SER H H 8.912 0.003 1 1371 2083 133 SER HA H 5.213 0.001 1 1372 2083 133 SER HB2 H 3.876 0.015 2 1373 2083 133 SER HB3 H 3.792 0.004 2 1374 2083 133 SER C C 172.786 0.015 1 1375 2083 133 SER CA C 57.074 0.077 1 1376 2083 133 SER CB C 65.858 0.141 1 1377 2083 133 SER N N 118.415 0.064 1 1378 2084 134 ILE H H 8.919 0.008 1 1379 2084 134 ILE HA H 5.204 0.015 1 1380 2084 134 ILE HB H 1.455 0.015 1 1381 2084 134 ILE HD1 H 0.079 0.015 1 1382 2084 134 ILE HG12 H 1.380 0.015 2 1383 2084 134 ILE HG13 H 0.886 0.015 2 1384 2084 134 ILE HG2 H 0.632 0.015 1 1385 2084 134 ILE C C 174.747 0.015 1 1386 2084 134 ILE CA C 60.647 0.064 1 1387 2084 134 ILE CB C 40.174 0.139 1 1388 2084 134 ILE CD1 C 12.680 0.015 1 1389 2084 134 ILE CG1 C 27.391 0.005 1 1390 2084 134 ILE CG2 C 16.092 0.015 1 1391 2084 134 ILE N N 124.473 0.060 1 1392 2085 135 GLU H H 9.344 0.004 1 1393 2085 135 GLU HA H 5.374 0.015 1 1394 2085 135 GLU HB2 H 2.030 0.015 2 1395 2085 135 GLU HB3 H 1.885 0.015 2 1396 2085 135 GLU HG2 H 2.088 0.015 2 1397 2085 135 GLU HG3 H 2.088 0.015 2 1398 2085 135 GLU C C 175.554 0.015 1 1399 2085 135 GLU CA C 53.507 0.057 1 1400 2085 135 GLU CB C 33.301 0.072 1 1401 2085 135 GLU CG C 36.444 0.080 1 1402 2085 135 GLU N N 130.547 0.052 1 1403 2086 136 GLY H H 8.513 0.004 1 1404 2086 136 GLY HA2 H 3.871 0.015 1 1405 2086 136 GLY HA3 H 3.707 0.015 1 1406 2086 136 GLY CA C 45.926 0.100 1 1407 2086 136 GLY N N 110.997 0.046 1 1408 2087 137 PRO HA H 4.384 0.010 1 1409 2087 137 PRO HB2 H 2.209 0.003 1 1410 2087 137 PRO HB3 H 1.865 0.009 1 1411 2087 137 PRO HD2 H 2.880 0.015 2 1412 2087 137 PRO HD3 H 1.688 0.015 2 1413 2087 137 PRO HG2 H 1.770 0.003 1 1414 2087 137 PRO HG3 H 1.495 0.015 1 1415 2087 137 PRO C C 175.865 0.015 1 1416 2087 137 PRO CA C 63.721 0.137 1 1417 2087 137 PRO CB C 32.008 0.071 1 1418 2087 137 PRO CD C 48.907 0.001 1 1419 2087 137 PRO CG C 26.671 0.103 1 1420 2088 138 SER H H 7.021 0.005 1 1421 2088 138 SER HA H 4.541 0.005 1 1422 2088 138 SER HB2 H 3.832 0.004 1 1423 2088 138 SER HB3 H 3.677 0.004 1 1424 2088 138 SER C C 172.385 0.049 1 1425 2088 138 SER CA C 56.853 0.086 1 1426 2088 138 SER CB C 66.868 0.163 1 1427 2088 138 SER N N 110.085 0.046 1 1428 2089 139 LYS H H 8.594 0.005 1 1429 2089 139 LYS HA H 4.277 0.004 1 1430 2089 139 LYS HB2 H 1.869 0.015 2 1431 2089 139 LYS HB3 H 1.624 0.015 2 1432 2089 139 LYS HD2 H 1.727 0.001 2 1433 2089 139 LYS HD3 H 1.700 0.015 2 1434 2089 139 LYS HE2 H 3.084 0.015 2 1435 2089 139 LYS HE3 H 3.084 0.015 2 1436 2089 139 LYS HG2 H 1.422 0.002 2 1437 2089 139 LYS HG3 H 1.306 0.015 2 1438 2089 139 LYS C C 176.411 0.015 1 1439 2089 139 LYS CA C 55.888 0.047 1 1440 2089 139 LYS CB C 32.455 0.127 1 1441 2089 139 LYS CD C 29.015 0.015 1 1442 2089 139 LYS CE C 42.042 0.020 1 1443 2089 139 LYS CG C 24.880 0.141 1 1444 2089 139 LYS N N 123.662 0.044 1 1445 2090 140 VAL H H 8.518 0.007 1 1446 2090 140 VAL HA H 4.493 0.003 1 1447 2090 140 VAL HB H 1.961 0.015 1 1448 2090 140 VAL HG1 H 0.888 0.015 1 1449 2090 140 VAL HG2 H 0.802 0.015 1 1450 2090 140 VAL C C 175.011 0.015 1 1451 2090 140 VAL CA C 60.150 0.074 1 1452 2090 140 VAL CB C 33.477 0.050 1 1453 2090 140 VAL CG1 C 22.490 0.102 1 1454 2090 140 VAL CG2 C 20.048 0.122 1 1455 2090 140 VAL N N 122.698 0.061 1 1456 2091 141 ASP H H 8.317 0.009 1 1457 2091 141 ASP HA H 4.749 0.002 1 1458 2091 141 ASP HB2 H 2.618 0.004 2 1459 2091 141 ASP HB3 H 2.524 0.003 2 1460 2091 141 ASP C C 175.642 0.015 1 1461 2091 141 ASP CA C 54.153 0.066 1 1462 2091 141 ASP CB C 41.344 0.068 1 1463 2091 141 ASP N N 125.423 0.053 1 1464 2092 142 ILE H H 8.355 0.005 1 1465 2092 142 ILE HA H 4.524 0.015 1 1466 2092 142 ILE HB H 1.574 0.015 1 1467 2092 142 ILE HD1 H 0.595 0.015 1 1468 2092 142 ILE HG12 H 1.636 0.015 2 1469 2092 142 ILE HG13 H 0.602 0.015 2 1470 2092 142 ILE HG2 H 0.677 0.015 1 1471 2092 142 ILE C C 174.683 0.056 1 1472 2092 142 ILE CA C 61.083 0.076 1 1473 2092 142 ILE CB C 40.004 0.065 1 1474 2092 142 ILE CD1 C 13.590 0.015 1 1475 2092 142 ILE CG1 C 27.901 0.024 1 1476 2092 142 ILE CG2 C 18.227 0.015 1 1477 2092 142 ILE N N 124.117 0.052 1 1478 2093 143 ASN H H 8.943 0.004 1 1479 2093 143 ASN HA H 5.082 0.015 1 1480 2093 143 ASN HB2 H 2.678 0.004 1 1481 2093 143 ASN HB3 H 2.621 0.002 1 1482 2093 143 ASN HD21 H 7.346 0.015 2 1483 2093 143 ASN HD22 H 6.851 0.015 2 1484 2093 143 ASN C C 173.711 0.005 1 1485 2093 143 ASN CA C 52.116 0.065 1 1486 2093 143 ASN CB C 42.121 0.100 1 1487 2093 143 ASN N N 126.981 0.050 1 1488 2093 143 ASN ND2 N 114.827 0.002 1 1489 2094 144 THR H H 8.269 0.009 1 1490 2094 144 THR HA H 5.298 0.007 1 1491 2094 144 THR HB H 3.866 0.004 1 1492 2094 144 THR HG2 H 0.925 0.004 1 1493 2094 144 THR C C 173.483 0.015 1 1494 2094 144 THR CA C 59.472 0.137 1 1495 2094 144 THR CB C 71.306 0.109 1 1496 2094 144 THR CG2 C 22.086 0.080 1 1497 2094 144 THR N N 112.530 0.083 1 1498 2095 145 GLU H H 8.699 0.009 1 1499 2095 145 GLU HA H 4.519 0.007 1 1500 2095 145 GLU HB2 H 1.918 0.015 2 1501 2095 145 GLU HB3 H 1.819 0.015 2 1502 2095 145 GLU HG2 H 2.137 0.015 2 1503 2095 145 GLU HG3 H 2.048 0.015 2 1504 2095 145 GLU C C 174.294 0.032 1 1505 2095 145 GLU CA C 54.896 0.073 1 1506 2095 145 GLU CB C 33.720 0.093 1 1507 2095 145 GLU CG C 35.887 0.110 1 1508 2095 145 GLU N N 123.364 0.062 1 1509 2096 146 ASP H H 8.688 0.008 1 1510 2096 146 ASP HA H 4.868 0.001 1 1511 2096 146 ASP HB2 H 2.721 0.009 2 1512 2096 146 ASP HB3 H 2.542 0.002 2 1513 2096 146 ASP C C 175.978 0.042 1 1514 2096 146 ASP CA C 54.590 0.086 1 1515 2096 146 ASP CB C 40.689 0.089 1 1516 2096 146 ASP N N 127.591 0.052 1 1517 2097 147 LEU H H 8.624 0.007 1 1518 2097 147 LEU HA H 4.550 0.002 1 1519 2097 147 LEU HB2 H 1.965 0.015 2 1520 2097 147 LEU HB3 H 1.436 0.015 2 1521 2097 147 LEU HD1 H 0.817 0.015 1 1522 2097 147 LEU HD2 H 0.693 0.006 1 1523 2097 147 LEU HG H 1.571 0.003 1 1524 2097 147 LEU C C 179.635 0.006 1 1525 2097 147 LEU CA C 54.207 0.075 1 1526 2097 147 LEU CB C 41.603 0.062 1 1527 2097 147 LEU CD1 C 24.861 0.015 1 1528 2097 147 LEU CD2 C 22.064 0.023 1 1529 2097 147 LEU CG C 26.946 0.015 1 1530 2097 147 LEU N N 126.135 0.050 1 1531 2098 148 GLU H H 8.930 0.002 1 1532 2098 148 GLU HA H 4.010 0.007 1 1533 2098 148 GLU HB2 H 2.061 0.015 2 1534 2098 148 GLU HB3 H 2.061 0.015 2 1535 2098 148 GLU HG2 H 2.291 0.015 2 1536 2098 148 GLU HG3 H 2.291 0.015 2 1537 2098 148 GLU C C 176.438 0.015 1 1538 2098 148 GLU CA C 58.847 0.069 1 1539 2098 148 GLU CB C 29.189 0.088 1 1540 2098 148 GLU CG C 36.245 0.116 1 1541 2098 148 GLU N N 122.042 0.068 1 1542 2099 149 ASP H H 7.601 0.007 1 1543 2099 149 ASP HA H 4.436 0.006 1 1544 2099 149 ASP HB2 H 3.006 0.006 2 1545 2099 149 ASP HB3 H 2.557 0.007 2 1546 2099 149 ASP C C 176.849 0.026 1 1547 2099 149 ASP CA C 53.210 0.069 1 1548 2099 149 ASP CB C 39.816 0.057 1 1549 2099 149 ASP N N 117.187 0.062 1 1550 2100 150 GLY H H 8.100 0.007 1 1551 2100 150 GLY HA2 H 4.313 0.003 2 1552 2100 150 GLY HA3 H 3.822 0.001 2 1553 2100 150 GLY C C 175.231 0.023 1 1554 2100 150 GLY CA C 45.287 0.087 1 1555 2100 150 GLY N N 107.870 0.057 1 1556 2101 151 THR H H 7.889 0.007 1 1557 2101 151 THR HA H 4.838 0.005 1 1558 2101 151 THR HB H 4.143 0.010 1 1559 2101 151 THR HG2 H 0.967 0.006 1 1560 2101 151 THR C C 172.400 0.032 1 1561 2101 151 THR CA C 61.788 0.136 1 1562 2101 151 THR CB C 70.411 0.113 1 1563 2101 151 THR CG2 C 21.117 0.001 1 1564 2101 151 THR N N 113.151 0.050 1 1565 2102 152 CYS H H 8.590 0.006 1 1566 2102 152 CYS HA H 5.268 0.004 1 1567 2102 152 CYS HB2 H 2.950 0.005 1 1568 2102 152 CYS HB3 H 2.718 0.005 1 1569 2102 152 CYS C C 173.109 0.011 1 1570 2102 152 CYS CA C 57.040 0.067 1 1571 2102 152 CYS CB C 29.408 0.114 1 1572 2102 152 CYS N N 119.807 0.040 1 1573 2103 153 ARG H H 9.186 0.006 1 1574 2103 153 ARG HA H 4.853 0.005 1 1575 2103 153 ARG HB2 H 1.836 0.015 2 1576 2103 153 ARG HB3 H 1.537 0.015 2 1577 2103 153 ARG HD2 H 3.078 0.015 2 1578 2103 153 ARG HD3 H 3.078 0.015 2 1579 2103 153 ARG HE H 7.098 0.015 1 1580 2103 153 ARG HG2 H 1.418 0.015 2 1581 2103 153 ARG HG3 H 1.260 0.015 2 1582 2103 153 ARG C C 174.770 0.020 1 1583 2103 153 ARG CA C 55.003 0.059 1 1584 2103 153 ARG CB C 32.776 0.071 1 1585 2103 153 ARG CD C 43.483 0.015 1 1586 2103 153 ARG CG C 26.989 0.006 1 1587 2103 153 ARG N N 129.575 0.048 1 1588 2103 153 ARG NE N 84.723 0.015 1 1589 2104 154 VAL H H 9.273 0.006 1 1590 2104 154 VAL HA H 4.476 0.010 1 1591 2104 154 VAL HB H 0.214 0.015 1 1592 2104 154 VAL HG1 H 0.442 0.015 2 1593 2104 154 VAL HG2 H 0.511 0.015 2 1594 2104 154 VAL C C 174.414 0.015 1 1595 2104 154 VAL CA C 60.672 0.056 1 1596 2104 154 VAL CB C 32.069 0.097 1 1597 2104 154 VAL CG1 C 22.257 0.125 2 1598 2104 154 VAL CG2 C 21.512 0.119 2 1599 2104 154 VAL N N 133.095 0.062 1 1600 2105 155 THR H H 8.575 0.006 1 1601 2105 155 THR HA H 5.514 0.006 1 1602 2105 155 THR HB H 3.768 0.002 1 1603 2105 155 THR HG2 H 1.033 0.002 1 1604 2105 155 THR C C 173.661 0.032 1 1605 2105 155 THR CA C 59.487 0.176 1 1606 2105 155 THR CB C 71.651 0.130 1 1607 2105 155 THR CG2 C 21.630 0.015 1 1608 2105 155 THR N N 118.639 0.065 1 1609 2106 156 TYR H H 8.922 0.008 1 1610 2106 156 TYR HA H 5.364 0.015 1 1611 2106 156 TYR HB2 H 2.643 0.015 1 1612 2106 156 TYR HB3 H 2.568 0.015 1 1613 2106 156 TYR HD1 H 6.464 0.015 3 1614 2106 156 TYR HD2 H 6.464 0.015 3 1615 2106 156 TYR HE1 H 6.109 0.015 3 1616 2106 156 TYR HE2 H 6.109 0.015 3 1617 2106 156 TYR C C 172.993 0.027 1 1618 2106 156 TYR CA C 55.703 0.036 1 1619 2106 156 TYR CB C 41.232 0.034 1 1620 2106 156 TYR CD1 C 132.204 0.015 3 1621 2106 156 TYR CE1 C 116.387 0.015 3 1622 2106 156 TYR N N 121.529 0.070 1 1623 2107 157 CYS H H 8.084 0.010 1 1624 2107 157 CYS HA H 5.148 0.015 1 1625 2107 157 CYS HB2 H 2.805 0.015 2 1626 2107 157 CYS HB3 H 2.539 0.015 2 1627 2107 157 CYS CA C 54.457 0.076 1 1628 2107 157 CYS CB C 27.635 0.015 1 1629 2107 157 CYS N N 121.299 0.051 1 1630 2108 158 PRO HA H 4.499 0.007 1 1631 2108 158 PRO HB2 H 1.565 0.001 1 1632 2108 158 PRO HB3 H 1.446 0.003 1 1633 2108 158 PRO HD2 H 4.092 0.015 2 1634 2108 158 PRO HD3 H 3.404 0.015 2 1635 2108 158 PRO HG2 H 1.836 0.015 1 1636 2108 158 PRO HG3 H 1.434 0.015 1 1637 2108 158 PRO C C 177.036 0.015 1 1638 2108 158 PRO CA C 61.804 0.074 1 1639 2108 158 PRO CB C 32.498 0.089 1 1640 2108 158 PRO CD C 50.085 0.015 1 1641 2108 158 PRO CG C 26.678 0.002 1 1642 2109 159 THR H H 8.195 0.012 1 1643 2109 159 THR HA H 3.562 0.004 1 1644 2109 159 THR HB H 4.311 0.004 1 1645 2109 159 THR HG2 H 0.947 0.003 1 1646 2109 159 THR C C 172.298 0.015 1 1647 2109 159 THR CA C 61.058 0.139 1 1648 2109 159 THR CB C 68.951 0.108 1 1649 2109 159 THR CG2 C 21.371 0.015 1 1650 2109 159 THR N N 110.436 0.060 1 1651 2110 160 GLU H H 6.550 0.010 1 1652 2110 160 GLU HA H 4.874 0.015 1 1653 2110 160 GLU HB2 H 2.040 0.015 2 1654 2110 160 GLU HB3 H 1.353 0.015 2 1655 2110 160 GLU HG2 H 2.313 0.015 2 1656 2110 160 GLU HG3 H 2.216 0.015 2 1657 2110 160 GLU CA C 52.367 0.066 1 1658 2110 160 GLU CB C 32.820 0.076 1 1659 2110 160 GLU CG C 34.620 0.002 1 1660 2110 160 GLU N N 117.024 0.096 1 1661 2111 161 PRO HA H 4.169 0.009 1 1662 2111 161 PRO HB2 H 2.078 0.015 2 1663 2111 161 PRO HB3 H 2.078 0.015 2 1664 2111 161 PRO HD2 H 4.028 0.015 1 1665 2111 161 PRO HD3 H 3.370 0.015 1 1666 2111 161 PRO HG2 H 2.088 0.015 2 1667 2111 161 PRO HG3 H 2.003 0.015 2 1668 2111 161 PRO C C 174.278 0.015 1 1669 2111 161 PRO CA C 62.364 0.063 1 1670 2111 161 PRO CB C 32.581 0.073 1 1671 2111 161 PRO CD C 50.236 0.005 1 1672 2111 161 PRO CG C 26.452 0.006 1 1673 2112 162 GLY H H 8.724 0.005 1 1674 2112 162 GLY HA2 H 4.463 0.008 2 1675 2112 162 GLY HA3 H 3.755 0.003 2 1676 2112 162 GLY C C 171.595 0.018 1 1677 2112 162 GLY CA C 44.290 0.075 1 1678 2112 162 GLY N N 106.090 0.054 1 1679 2113 163 ASN H H 8.456 0.004 1 1680 2113 163 ASN HA H 5.548 0.009 1 1681 2113 163 ASN HB2 H 2.679 0.004 2 1682 2113 163 ASN HB3 H 2.558 0.001 2 1683 2113 163 ASN HD21 H 7.433 0.015 2 1684 2113 163 ASN HD22 H 6.844 0.015 2 1685 2113 163 ASN C C 174.352 0.018 1 1686 2113 163 ASN CA C 52.392 0.139 1 1687 2113 163 ASN CB C 39.506 0.059 1 1688 2113 163 ASN N N 121.061 0.043 1 1689 2113 163 ASN ND2 N 114.186 0.002 1 1690 2114 164 TYR H H 9.322 0.004 1 1691 2114 164 TYR HA H 5.246 0.006 1 1692 2114 164 TYR HB2 H 2.732 0.006 1 1693 2114 164 TYR HB3 H 2.482 0.007 1 1694 2114 164 TYR HD1 H 6.976 0.015 3 1695 2114 164 TYR HD2 H 6.976 0.015 3 1696 2114 164 TYR HE1 H 6.720 0.002 3 1697 2114 164 TYR HE2 H 6.720 0.002 3 1698 2114 164 TYR HH H 10.183 0.015 1 1699 2114 164 TYR C C 174.739 0.015 1 1700 2114 164 TYR CA C 55.842 0.131 1 1701 2114 164 TYR CB C 40.306 0.117 1 1702 2114 164 TYR CD1 C 133.691 0.015 3 1703 2114 164 TYR CE1 C 116.208 0.025 3 1704 2114 164 TYR N N 124.734 0.051 1 1705 2115 165 ILE H H 9.295 0.006 1 1706 2115 165 ILE HA H 5.131 0.003 1 1707 2115 165 ILE HB H 1.750 0.015 1 1708 2115 165 ILE HD1 H 0.736 0.015 1 1709 2115 165 ILE HG12 H 1.381 0.015 2 1710 2115 165 ILE HG13 H 1.134 0.015 2 1711 2115 165 ILE HG2 H 0.788 0.015 1 1712 2115 165 ILE C C 175.768 0.003 1 1713 2115 165 ILE CA C 58.985 0.068 1 1714 2115 165 ILE CB C 40.149 0.080 1 1715 2115 165 ILE CD1 C 11.955 0.015 1 1716 2115 165 ILE CG1 C 27.034 0.009 1 1717 2115 165 ILE CG2 C 18.264 0.015 1 1718 2115 165 ILE N N 123.921 0.044 1 1719 2116 166 ILE H H 9.322 0.004 1 1720 2116 166 ILE HA H 4.761 0.005 1 1721 2116 166 ILE HB H 1.774 0.015 1 1722 2116 166 ILE HD1 H 0.450 0.015 1 1723 2116 166 ILE HG12 H 1.370 0.015 2 1724 2116 166 ILE HG13 H 0.682 0.015 2 1725 2116 166 ILE HG2 H 0.557 0.015 1 1726 2116 166 ILE CA C 60.519 0.073 1 1727 2116 166 ILE CB C 39.404 0.076 1 1728 2116 166 ILE CD1 C 14.012 0.015 1 1729 2116 166 ILE CG1 C 26.675 0.004 1 1730 2116 166 ILE CG2 C 16.044 0.015 1 1731 2116 166 ILE N N 127.668 0.056 1 1732 2117 167 ASN H H 9.187 0.003 1 1733 2117 167 ASN HA H 5.196 0.015 1 1734 2117 167 ASN HB2 H 3.129 0.015 2 1735 2117 167 ASN HB3 H 2.115 0.015 2 1736 2117 167 ASN HD21 H 6.945 0.015 2 1737 2117 167 ASN HD22 H 6.909 0.015 2 1738 2117 167 ASN C C 174.751 0.015 1 1739 2117 167 ASN CA C 52.462 0.068 1 1740 2117 167 ASN CB C 41.460 0.095 1 1741 2117 167 ASN N N 127.461 0.056 1 1742 2117 167 ASN ND2 N 114.199 0.015 1 1743 2118 168 ILE H H 9.773 0.003 1 1744 2118 168 ILE HA H 4.698 0.015 1 1745 2118 168 ILE HB H 1.927 0.015 1 1746 2118 168 ILE HD1 H 0.636 0.015 1 1747 2118 168 ILE HG12 H 1.655 0.015 1 1748 2118 168 ILE HG13 H 0.957 0.015 1 1749 2118 168 ILE HG2 H 0.824 0.015 1 1750 2118 168 ILE CA C 61.341 0.102 1 1751 2118 168 ILE CB C 39.786 0.067 1 1752 2118 168 ILE CD1 C 15.345 0.015 1 1753 2118 168 ILE CG1 C 26.822 0.008 1 1754 2118 168 ILE CG2 C 17.706 0.015 1 1755 2118 168 ILE N N 125.744 0.046 1 1756 2119 169 LYS H H 8.705 0.006 1 1757 2119 169 LYS HA H 5.147 0.010 1 1758 2119 169 LYS HB2 H 1.557 0.015 1 1759 2119 169 LYS HB3 H 1.039 0.015 1 1760 2119 169 LYS HD2 H 1.154 0.015 2 1761 2119 169 LYS HD3 H 0.971 0.015 2 1762 2119 169 LYS HE2 H 2.191 0.015 2 1763 2119 169 LYS HE3 H 2.052 0.015 2 1764 2119 169 LYS HG2 H 0.871 0.015 2 1765 2119 169 LYS HG3 H 0.194 0.015 2 1766 2119 169 LYS C C 174.862 0.020 1 1767 2119 169 LYS CA C 53.954 0.084 1 1768 2119 169 LYS CB C 35.821 0.095 1 1769 2119 169 LYS CD C 29.150 0.010 1 1770 2119 169 LYS CE C 41.114 0.002 1 1771 2119 169 LYS CG C 24.258 0.004 1 1772 2119 169 LYS N N 125.349 0.044 1 1773 2120 170 PHE H H 9.222 0.004 1 1774 2120 170 PHE HA H 5.362 0.010 1 1775 2120 170 PHE HB2 H 2.701 0.012 1 1776 2120 170 PHE HB3 H 2.558 0.003 1 1777 2120 170 PHE HD1 H 6.728 0.015 3 1778 2120 170 PHE HD2 H 6.728 0.015 3 1779 2120 170 PHE HE1 H 7.049 0.015 3 1780 2120 170 PHE HE2 H 7.049 0.015 3 1781 2120 170 PHE HZ H 7.161 0.015 1 1782 2120 170 PHE C C 175.168 0.015 1 1783 2120 170 PHE CA C 55.616 0.133 1 1784 2120 170 PHE CB C 43.877 0.085 1 1785 2120 170 PHE CD1 C 130.417 0.015 3 1786 2120 170 PHE CE1 C 131.249 0.015 3 1787 2120 170 PHE CZ C 129.904 0.015 1 1788 2120 170 PHE N N 124.114 0.057 1 1789 2121 171 ALA H H 8.679 0.006 1 1790 2121 171 ALA HA H 3.905 0.007 1 1791 2121 171 ALA HB H 1.109 0.005 1 1792 2121 171 ALA C C 176.673 0.023 1 1793 2121 171 ALA CA C 53.189 0.131 1 1794 2121 171 ALA CB C 16.527 0.106 1 1795 2121 171 ALA N N 130.966 0.066 1 1796 2122 172 ASP H H 8.665 0.007 1 1797 2122 172 ASP HA H 3.960 0.003 1 1798 2122 172 ASP HB2 H 2.911 0.005 2 1799 2122 172 ASP HB3 H 2.779 0.004 2 1800 2122 172 ASP C C 174.692 0.021 1 1801 2122 172 ASP CA C 56.109 0.143 1 1802 2122 172 ASP CB C 40.114 0.071 1 1803 2122 172 ASP N N 109.468 0.082 1 1804 2123 173 GLN H H 7.620 0.007 1 1805 2123 173 GLN HA H 4.736 0.006 1 1806 2123 173 GLN HB2 H 2.169 0.015 2 1807 2123 173 GLN HB3 H 1.973 0.015 2 1808 2123 173 GLN HE21 H 7.624 0.015 2 1809 2123 173 GLN HE22 H 6.979 0.015 2 1810 2123 173 GLN HG2 H 2.501 0.015 2 1811 2123 173 GLN HG3 H 2.417 0.015 2 1812 2123 173 GLN C C 175.296 0.030 1 1813 2123 173 GLN CA C 53.866 0.058 1 1814 2123 173 GLN CB C 31.828 0.119 1 1815 2123 173 GLN CG C 33.352 0.041 1 1816 2123 173 GLN N N 119.167 0.067 1 1817 2123 173 GLN NE2 N 114.035 0.015 1 1818 2124 174 HIS H H 8.775 0.009 1 1819 2124 174 HIS HA H 4.569 0.009 1 1820 2124 174 HIS HB2 H 3.138 0.003 1 1821 2124 174 HIS HB3 H 2.877 0.001 1 1822 2124 174 HIS HD2 H 7.135 0.015 1 1823 2124 174 HIS HE1 H 8.003 0.017 1 1824 2124 174 HIS HE2 H 9.638 0.015 1 1825 2124 174 HIS C C 177.219 0.011 1 1826 2124 174 HIS CA C 58.844 0.081 1 1827 2124 174 HIS CB C 32.046 0.079 1 1828 2124 174 HIS CD2 C 117.947 0.015 1 1829 2124 174 HIS CE1 C 137.816 0.017 1 1830 2124 174 HIS N N 123.544 0.060 1 1831 2125 175 VAL H H 8.248 0.008 1 1832 2125 175 VAL HA H 4.514 0.007 1 1833 2125 175 VAL HB H 2.477 0.015 1 1834 2125 175 VAL HG1 H 1.036 0.015 1 1835 2125 175 VAL HG2 H 1.011 0.015 1 1836 2125 175 VAL CA C 59.377 0.058 1 1837 2125 175 VAL CB C 29.151 0.052 1 1838 2125 175 VAL CG1 C 21.630 0.015 1 1839 2125 175 VAL CG2 C 18.396 0.015 1 1840 2125 175 VAL N N 119.151 0.056 1 1841 2126 176 PRO HA H 4.213 0.006 1 1842 2126 176 PRO HB2 H 2.319 0.010 2 1843 2126 176 PRO HB3 H 1.970 0.002 2 1844 2126 176 PRO HD2 H 4.348 0.015 2 1845 2126 176 PRO HD3 H 3.547 0.015 2 1846 2126 176 PRO HG2 H 2.275 0.015 1 1847 2126 176 PRO HG3 H 1.968 0.015 1 1848 2126 176 PRO CA C 65.246 0.137 1 1849 2126 176 PRO CB C 31.138 0.125 1 1850 2126 176 PRO CD C 50.829 0.009 1 1851 2126 176 PRO CG C 28.129 0.012 1 1852 2127 177 GLY H H 8.187 0.004 1 1853 2127 177 GLY HA2 H 4.098 0.015 1 1854 2127 177 GLY HA3 H 3.080 0.015 1 1855 2127 177 GLY CA C 44.644 0.076 1 1856 2127 177 GLY N N 115.551 0.058 1 1857 2128 178 SER H H 7.673 0.011 1 1858 2128 178 SER HA H 4.076 0.015 1 1859 2128 178 SER HB2 H 4.497 0.015 2 1860 2128 178 SER HB3 H 3.717 0.015 2 1861 2128 178 SER CA C 54.883 0.074 1 1862 2128 178 SER CB C 62.447 0.017 1 1863 2128 178 SER N N 113.770 0.111 1 1864 2129 179 PRO HA H 5.348 0.015 1 1865 2129 179 PRO HB2 H 2.318 0.015 2 1866 2129 179 PRO HB3 H 1.625 0.015 2 1867 2129 179 PRO HD2 H 3.206 0.015 2 1868 2129 179 PRO HD3 H 2.400 0.015 2 1869 2129 179 PRO HG2 H 1.769 0.015 2 1870 2129 179 PRO HG3 H 1.721 0.015 2 1871 2129 179 PRO CA C 62.210 0.068 1 1872 2129 179 PRO CB C 33.817 0.075 1 1873 2129 179 PRO CD C 49.881 0.005 1 1874 2129 179 PRO CG C 24.456 0.010 1 1875 2130 180 PHE H H 9.323 0.004 1 1876 2130 180 PHE HA H 4.486 0.011 1 1877 2130 180 PHE HB2 H 3.144 0.004 1 1878 2130 180 PHE HB3 H 2.704 0.015 1 1879 2130 180 PHE HD1 H 7.109 0.015 3 1880 2130 180 PHE HD2 H 7.109 0.015 3 1881 2130 180 PHE HE1 H 6.989 0.015 3 1882 2130 180 PHE HE2 H 6.989 0.015 3 1883 2130 180 PHE HZ H 7.224 0.015 1 1884 2130 180 PHE CA C 57.532 0.070 1 1885 2130 180 PHE CB C 40.425 0.105 1 1886 2130 180 PHE CD1 C 132.286 0.015 3 1887 2130 180 PHE CE1 C 130.142 0.015 3 1888 2130 180 PHE CZ C 129.583 0.015 1 1889 2130 180 PHE N N 124.693 0.087 1 1890 2131 181 SER H H 8.711 0.010 1 1891 2131 181 SER HA H 5.036 0.005 1 1892 2131 181 SER HB2 H 3.869 0.015 2 1893 2131 181 SER HB3 H 3.769 0.004 2 1894 2131 181 SER C C 173.534 0.015 1 1895 2131 181 SER CA C 57.561 0.072 1 1896 2131 181 SER CB C 63.529 0.097 1 1897 2131 181 SER N N 119.245 0.039 1 1898 2132 182 VAL H H 9.277 0.006 1 1899 2132 182 VAL HA H 4.083 0.006 1 1900 2132 182 VAL HB H 1.773 0.001 1 1901 2132 182 VAL HG1 H 0.617 0.006 1 1902 2132 182 VAL HG2 H 0.554 0.015 1 1903 2132 182 VAL C C 175.221 0.022 1 1904 2132 182 VAL CA C 61.394 0.150 1 1905 2132 182 VAL CB C 34.800 0.093 1 1906 2132 182 VAL CG1 C 20.265 0.066 1 1907 2132 182 VAL CG2 C 19.678 0.112 1 1908 2132 182 VAL N N 129.638 0.043 1 1909 2133 183 LYS H H 7.694 0.009 1 1910 2133 183 LYS HA H 4.831 0.007 1 1911 2133 183 LYS HB2 H 1.915 0.015 2 1912 2133 183 LYS HB3 H 1.845 0.015 2 1913 2133 183 LYS HD2 H 1.722 0.015 2 1914 2133 183 LYS HD3 H 1.722 0.015 2 1915 2133 183 LYS HE2 H 2.984 0.002 2 1916 2133 183 LYS HE3 H 2.984 0.002 2 1917 2133 183 LYS HG2 H 1.467 0.001 2 1918 2133 183 LYS HG3 H 1.330 0.015 2 1919 2133 183 LYS C C 175.488 0.023 1 1920 2133 183 LYS CA C 55.590 0.041 1 1921 2133 183 LYS CB C 33.401 0.105 1 1922 2133 183 LYS CD C 29.242 0.003 1 1923 2133 183 LYS CE C 41.980 0.015 1 1924 2133 183 LYS CG C 24.733 0.099 1 1925 2133 183 LYS N N 129.068 0.047 1 1926 2134 184 VAL H H 9.150 0.006 1 1927 2134 184 VAL HA H 4.705 0.007 1 1928 2134 184 VAL HB H 2.289 0.015 1 1929 2134 184 VAL HG1 H 0.570 0.015 2 1930 2134 184 VAL HG2 H 0.502 0.015 2 1931 2134 184 VAL C C 177.010 0.011 1 1932 2134 184 VAL CA C 60.871 0.070 1 1933 2134 184 VAL CB C 32.287 0.078 1 1934 2134 184 VAL CG1 C 21.733 0.040 2 1935 2134 184 VAL CG2 C 22.582 0.056 2 1936 2134 184 VAL N N 129.147 0.049 1 1937 2135 185 THR H H 8.236 0.007 1 1938 2135 185 THR HA H 4.778 0.004 1 1939 2135 185 THR HB H 4.414 0.004 1 1940 2135 185 THR HG2 H 1.272 0.004 1 1941 2135 185 THR C C 173.524 0.015 1 1942 2135 185 THR CA C 59.858 0.097 1 1943 2135 185 THR CB C 71.056 0.112 1 1944 2135 185 THR CG2 C 21.695 0.106 1 1945 2135 185 THR N N 121.293 0.044 1 1946 2136 186 GLY H H 8.404 0.004 1 1947 2136 186 GLY HA2 H 4.400 0.003 2 1948 2136 186 GLY HA3 H 3.921 0.006 2 1949 2136 186 GLY C C 173.518 0.015 1 1950 2136 186 GLY CA C 44.059 0.072 1 1951 2136 186 GLY N N 109.369 0.047 1 1952 2137 187 GLU H H 8.359 0.006 1 1953 2137 187 GLU HA H 4.358 0.006 1 1954 2137 187 GLU HB2 H 2.119 0.015 2 1955 2137 187 GLU HB3 H 1.952 0.015 2 1956 2137 187 GLU HG2 H 2.320 0.015 2 1957 2137 187 GLU HG3 H 2.320 0.015 2 1958 2137 187 GLU C C 177.550 0.015 1 1959 2137 187 GLU CA C 56.257 0.054 1 1960 2137 187 GLU CB C 30.906 0.085 1 1961 2137 187 GLU CG C 36.364 0.123 1 1962 2137 187 GLU N N 120.149 0.069 1 1963 2138 188 GLY H H 8.584 0.008 1 1964 2138 188 GLY HA2 H 4.412 0.002 2 1965 2138 188 GLY HA3 H 3.999 0.006 2 1966 2138 188 GLY C C 173.872 0.016 1 1967 2138 188 GLY CA C 44.728 0.064 1 1968 2138 188 GLY N N 111.050 0.049 1 1969 2139 189 ARG H H 8.497 0.006 1 1970 2139 189 ARG HA H 4.395 0.006 1 1971 2139 189 ARG HB2 H 1.869 0.015 2 1972 2139 189 ARG HB3 H 1.810 0.015 2 1973 2139 189 ARG HD2 H 3.177 0.015 2 1974 2139 189 ARG HD3 H 3.177 0.015 2 1975 2139 189 ARG HG2 H 1.671 0.015 2 1976 2139 189 ARG HG3 H 1.671 0.015 2 1977 2139 189 ARG C C 176.592 0.001 1 1978 2139 189 ARG CA C 56.465 0.079 1 1979 2139 189 ARG CB C 31.190 0.105 1 1980 2139 189 ARG CD C 43.374 0.104 1 1981 2139 189 ARG CG C 27.289 0.091 1 1982 2139 189 ARG N N 121.913 0.052 1 1983 2140 190 VAL H H 8.399 0.016 1 1984 2140 190 VAL HA H 4.066 0.006 1 1985 2140 190 VAL HB H 2.058 0.005 1 1986 2140 190 VAL HG1 H 0.931 0.002 2 1987 2140 190 VAL HG2 H 0.941 0.015 2 1988 2140 190 VAL C C 175.338 0.004 1 1989 2140 190 VAL CA C 62.723 0.125 1 1990 2140 190 VAL CB C 32.499 0.087 1 1991 2140 190 VAL CG1 C 21.101 0.106 2 1992 2140 190 VAL CG2 C 20.610 0.125 2 1993 2140 190 VAL N N 123.557 0.088 1 1994 2141 191 LYS H H 7.952 0.016 1 1995 2141 191 LYS HA H 4.145 0.003 1 1996 2141 191 LYS HB2 H 1.788 0.015 2 1997 2141 191 LYS HB3 H 1.694 0.015 2 1998 2141 191 LYS HD2 H 1.649 0.015 2 1999 2141 191 LYS HD3 H 1.649 0.015 2 2000 2141 191 LYS HE2 H 2.981 0.015 2 2001 2141 191 LYS HE3 H 2.981 0.015 2 2002 2141 191 LYS HG2 H 1.374 0.015 2 2003 2141 191 LYS HG3 H 1.374 0.015 2 2004 2141 191 LYS C C 180.610 0.015 1 2005 2141 191 LYS CA C 57.605 0.082 1 2006 2141 191 LYS CB C 33.641 0.045 1 2007 2141 191 LYS CD C 28.998 0.015 1 2008 2141 191 LYS CE C 41.980 0.015 1 2009 2141 191 LYS CG C 24.467 0.015 1 2010 2141 191 LYS N N 131.605 0.084 1 stop_ save_