data_17353 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Androcam ; _BMRB_accession_number 17353 _BMRB_flat_file_name bmr17353.str _Entry_type original _Submission_date 2010-12-08 _Accession_date 2010-12-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shifts of androcam' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Joshi Mehul K. . 2 Moran Sean T. . 3 Kevin MacKenzie R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 893 "13C chemical shifts" 662 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-14 update BMRB 'update entry citation' 2012-07-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17354 'high calcium androcam' stop_ save_ ############################# # Citation for this entry # ############################# save_androcam_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'H, 15N and 13C chemical shifts of the D. melanogaster myosin VI light chain androcam in high calcium.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22706934 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Joshi Mehul K. . 2 Moran Sean . . 3 MacKenzie Kevin R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 171 _Page_last 174 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name androcam _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label androcam $androcam 'calcium ions' $CA stop_ _System_molecular_weight 17095.06 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_androcam _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common androcam _Molecular_mass 17014.9 _Mol_thiol_state 'all free' loop_ _Biological_function 'Binds myosin VI at actin cones in Drosophila spermatogenesis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MSELTEEQIAEFKDAFVQFD KEGTGKIATRELGTLMRTLG QNPTEAELQDLIAEAENNNN GQLNFTEFCGIMAKQMRETD TEEEMREAFKIFDRDGDGFI SPAELRFVMINLGEKVTDEE IDEMIREADFDGDGMINYEE FVWMISQK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 ASP 15 ALA 16 PHE 17 VAL 18 GLN 19 PHE 20 ASP 21 LYS 22 GLU 23 GLY 24 THR 25 GLY 26 LYS 27 ILE 28 ALA 29 THR 30 ARG 31 GLU 32 LEU 33 GLY 34 THR 35 LEU 36 MET 37 ARG 38 THR 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 LEU 52 ILE 53 ALA 54 GLU 55 ALA 56 GLU 57 ASN 58 ASN 59 ASN 60 ASN 61 GLY 62 GLN 63 LEU 64 ASN 65 PHE 66 THR 67 GLU 68 PHE 69 CYS 70 GLY 71 ILE 72 MET 73 ALA 74 LYS 75 GLN 76 MET 77 ARG 78 GLU 79 THR 80 ASP 81 THR 82 GLU 83 GLU 84 GLU 85 MET 86 ARG 87 GLU 88 ALA 89 PHE 90 LYS 91 ILE 92 PHE 93 ASP 94 ARG 95 ASP 96 GLY 97 ASP 98 GLY 99 PHE 100 ILE 101 SER 102 PRO 103 ALA 104 GLU 105 LEU 106 ARG 107 PHE 108 VAL 109 MET 110 ILE 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 VAL 117 THR 118 ASP 119 GLU 120 GLU 121 ILE 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 PHE 131 ASP 132 GLY 133 ASP 134 GLY 135 MET 136 ILE 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 TRP 144 MET 145 ILE 146 SER 147 GLN 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17354 androcam 100.00 148 100.00 100.00 5.31e-100 PDB 2LMT "Nmr Structure Of Androcam" 100.00 148 100.00 100.00 5.31e-100 PDB 2LMU "Androcam At High Calcium" 100.00 148 100.00 100.00 5.31e-100 PDB 2LMV "Androcam At High Calcium With Three Explicit Ca2+" 100.00 148 100.00 100.00 5.31e-100 EMBL CAA53630 "calmodulin related [Drosophila melanogaster]" 100.00 148 99.32 100.00 1.19e-99 GB AAF56511 "androcam, isoform A [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 GB AAL48405 "AT11556p [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 GB ACL87451 "And-PA, partial [synthetic construct]" 100.00 148 100.00 100.00 5.31e-100 GB ACL91891 "And-PA [synthetic construct]" 100.00 148 100.00 100.00 5.31e-100 GB ACZ95031 "androcam, isoform B [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 PRF 2021248D "calmodulin-related protein" 100.00 148 99.32 100.00 1.19e-99 REF NP_001163737 "androcam, isoform B [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 REF NP_476988 "androcam, isoform A [Drosophila melanogaster]" 100.00 148 100.00 100.00 5.31e-100 REF XP_001981747 "GG11425 [Drosophila erecta]" 100.00 148 97.30 100.00 1.15e-97 REF XP_002041300 "GM10265 [Drosophila sechellia]" 100.00 148 99.32 100.00 2.27e-99 REF XP_002098987 "GE23620 [Drosophila yakuba]" 100.00 148 97.30 100.00 9.84e-98 SP P49258 "RecName: Full=Calmodulin-related protein 97A; AltName: Full=Protein androcam" 100.00 148 100.00 100.00 5.31e-100 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common 'CALCIUM ION' _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $androcam 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster Androcam 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 $androcam 'recombinant technology' . Escherichia coli BL21(DE3) pET15b 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 $androcam 1.3 mM '[U-100% 13C; U-100% 15N]' 'Calcium chloride' 10 uM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' TRIS 10 mM 'natural abundance' DTT 10 mM 'natural abundance' 'potassium citrate' 1 mM 'natural abundance' TSP 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HCACO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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' 10 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_acam_chem_shift_ref _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 TSP C 13 'methyl protons' ppm -0.015 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm -0.015 internal indirect . . . 1.000000000 TSP N 15 'methyl protons' ppm -0.015 internal 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_acam_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $acam_chem_shift_ref _Mol_system_component_name androcam _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 1 1 MET HA H 4.211 0.006 1 2 1 1 MET HB2 H 1.857 0.003 2 3 1 1 MET HB3 H 1.943 0.006 2 4 1 1 MET HG2 H 2.198 0.000 . 5 1 1 MET HG3 H 2.198 0.000 . 6 1 1 MET HE H 2.049 0.000 . 7 1 1 MET C C 177.058 0.036 1 8 1 1 MET CA C 55.676 0.091 1 9 1 1 MET CB C 29.435 0.037 1 10 1 1 MET CG C 33.672 0.007 1 11 1 1 MET CE C 17.339 0.000 1 12 2 2 SER H H 8.189 0.017 1 13 2 2 SER HA H 4.350 0.000 1 14 2 2 SER HB2 H 3.786 0.000 . 15 2 2 SER HB3 H 3.786 0.000 . 16 2 2 SER C C 174.658 0.000 1 17 2 2 SER CA C 58.790 0.000 1 18 2 2 SER CB C 63.986 0.000 1 19 2 2 SER N N 121.659 0.099 1 20 3 3 GLU H H 8.529 0.001 1 21 3 3 GLU HA H 4.356 0.002 1 22 3 3 GLU HB2 H 2.038 0.002 2 23 3 3 GLU HB3 H 1.851 0.002 2 24 3 3 GLU HG2 H 2.227 0.000 2 25 3 3 GLU HG3 H 2.253 0.000 2 26 3 3 GLU C C 176.325 0.000 1 27 3 3 GLU CA C 56.103 0.038 1 28 3 3 GLU CB C 30.710 0.032 1 29 3 3 GLU CG C 36.181 0.011 1 30 3 3 GLU N N 121.816 0.005 1 31 4 4 LEU H H 8.303 0.002 1 32 4 4 LEU HA H 4.557 0.002 1 33 4 4 LEU HB2 H 1.651 0.001 2 34 4 4 LEU HB3 H 1.264 0.002 2 35 4 4 LEU HG H 1.696 0.000 1 36 4 4 LEU HD1 H 0.811 0.003 . 37 4 4 LEU HD2 H 0.879 0.003 . 38 4 4 LEU C C 177.860 0.000 1 39 4 4 LEU CA C 54.370 0.028 1 40 4 4 LEU CB C 43.164 0.041 1 41 4 4 LEU CG C 27.000 0.016 1 42 4 4 LEU CD1 C 23.452 0.025 2 43 4 4 LEU CD2 C 26.503 0.042 2 44 4 4 LEU N N 121.987 0.003 1 45 5 5 THR H H 8.759 0.002 1 46 5 5 THR HA H 4.415 0.006 1 47 5 5 THR HB H 4.738 0.004 1 48 5 5 THR HG2 H 1.285 0.001 . 49 5 5 THR C C 175.397 0.000 1 50 5 5 THR CA C 60.251 0.029 1 51 5 5 THR CB C 71.253 0.039 1 52 5 5 THR CG2 C 21.682 0.103 1 53 5 5 THR N N 113.550 0.001 1 54 6 6 GLU H H 8.983 0.002 1 55 6 6 GLU HA H 3.893 0.002 1 56 6 6 GLU HB2 H 1.997 0.000 . 57 6 6 GLU HB3 H 1.997 0.000 . 58 6 6 GLU HG2 H 2.280 0.000 2 59 6 6 GLU HG3 H 2.371 0.000 2 60 6 6 GLU C C 179.473 0.000 1 61 6 6 GLU CA C 59.900 0.018 1 62 6 6 GLU CB C 29.304 0.128 1 63 6 6 GLU CG C 36.668 0.003 1 64 6 6 GLU N N 120.259 0.004 1 65 7 7 GLU H H 8.675 0.002 1 66 7 7 GLU HA H 3.999 0.002 1 67 7 7 GLU HB2 H 1.896 0.002 2 68 7 7 GLU HB3 H 2.005 0.002 2 69 7 7 GLU HG2 H 2.243 0.000 2 70 7 7 GLU HG3 H 2.360 0.000 2 71 7 7 GLU C C 179.346 0.000 1 72 7 7 GLU CA C 60.178 0.039 1 73 7 7 GLU CB C 28.966 0.024 1 74 7 7 GLU CG C 37.110 0.000 1 75 7 7 GLU N N 119.409 0.004 1 76 8 8 GLN H H 7.678 0.002 1 77 8 8 GLN HA H 3.745 0.002 1 78 8 8 GLN HB2 H 1.164 0.003 2 79 8 8 GLN HB3 H 2.130 0.004 2 80 8 8 GLN HG2 H 2.160 0.001 2 81 8 8 GLN HG3 H 2.248 0.004 2 82 8 8 GLN HE21 H 6.643 0.000 2 83 8 8 GLN HE22 H 7.628 0.000 2 84 8 8 GLN C C 177.276 0.000 1 85 8 8 GLN CA C 58.706 0.020 1 86 8 8 GLN CB C 29.157 0.019 1 87 8 8 GLN CG C 34.938 0.011 1 88 8 8 GLN N N 120.762 0.003 1 89 8 8 GLN NE2 N 110.975 0.004 1 90 9 9 ILE H H 8.078 0.003 1 91 9 9 ILE HA H 3.363 0.002 1 92 9 9 ILE HB H 1.826 0.001 1 93 9 9 ILE HG12 H 0.994 0.004 2 94 9 9 ILE HG13 H 1.605 0.002 2 95 9 9 ILE HG2 H 1.104 0.001 . 96 9 9 ILE HD1 H 0.753 0.002 . 97 9 9 ILE C C 177.843 0.000 1 98 9 9 ILE CA C 65.749 0.020 1 99 9 9 ILE CB C 37.601 0.064 1 100 9 9 ILE CG1 C 30.151 0.035 1 101 9 9 ILE CG2 C 17.617 0.019 1 102 9 9 ILE CD1 C 12.719 0.013 1 103 9 9 ILE N N 118.129 0.007 1 104 10 10 ALA H H 7.830 0.002 1 105 10 10 ALA HA H 4.099 0.004 1 106 10 10 ALA HB H 1.465 0.002 . 107 10 10 ALA C C 180.406 0.000 1 108 10 10 ALA CA C 55.347 0.020 1 109 10 10 ALA CB C 17.951 0.010 1 110 10 10 ALA N N 120.760 0.007 1 111 11 11 GLU H H 7.698 0.002 1 112 11 11 GLU HA H 4.149 0.002 1 113 11 11 GLU HB2 H 2.158 0.001 . 114 11 11 GLU HB3 H 2.158 0.001 . 115 11 11 GLU HG2 H 2.468 0.001 . 116 11 11 GLU HG3 H 2.468 0.001 . 117 11 11 GLU C C 180.395 0.000 1 118 11 11 GLU CA C 59.319 0.023 1 119 11 11 GLU CB C 29.492 0.022 1 120 11 11 GLU CG C 36.281 0.010 1 121 11 11 GLU N N 119.849 0.009 1 122 12 12 PHE H H 9.052 0.001 1 123 12 12 PHE HA H 4.889 0.003 1 124 12 12 PHE HB2 H 3.909 0.001 2 125 12 12 PHE HB3 H 3.571 0.001 2 126 12 12 PHE HD1 H 7.204 0.002 . 127 12 12 PHE HD2 H 7.204 0.002 . 128 12 12 PHE HE1 H 7.293 0.002 . 129 12 12 PHE HE2 H 7.293 0.002 . 130 12 12 PHE HZ H 7.110 0.000 1 131 12 12 PHE C C 178.506 0.000 1 132 12 12 PHE CA C 57.581 0.018 1 133 12 12 PHE CB C 36.582 0.027 1 134 12 12 PHE CD1 C 130.086 0.000 . 135 12 12 PHE CD2 C 130.086 0.000 . 136 12 12 PHE CE1 C 131.395 0.000 . 137 12 12 PHE CE2 C 131.395 0.000 . 138 12 12 PHE CZ C 128.892 0.000 1 139 12 12 PHE N N 120.252 0.001 1 140 13 13 LYS H H 9.129 0.002 1 141 13 13 LYS HA H 3.686 0.005 1 142 13 13 LYS HB2 H 1.637 0.002 2 143 13 13 LYS HB3 H 1.918 0.000 2 144 13 13 LYS HG2 H 0.760 0.003 2 145 13 13 LYS HG3 H 1.156 0.002 2 146 13 13 LYS HD2 H 1.052 0.001 2 147 13 13 LYS HD3 H 1.193 0.001 2 148 13 13 LYS HE2 H 2.514 0.000 . 149 13 13 LYS HE3 H 2.514 0.000 . 150 13 13 LYS C C 177.631 0.000 1 151 13 13 LYS CA C 59.852 0.040 1 152 13 13 LYS CB C 31.382 0.050 1 153 13 13 LYS CG C 24.405 0.043 1 154 13 13 LYS CD C 28.277 0.025 1 155 13 13 LYS CE C 41.656 0.010 1 156 13 13 LYS N N 122.736 0.003 1 157 14 14 ASP H H 7.778 0.003 1 158 14 14 ASP HA H 4.401 0.002 1 159 14 14 ASP HB2 H 2.692 0.001 2 160 14 14 ASP HB3 H 2.786 0.001 2 161 14 14 ASP C C 178.387 0.000 1 162 14 14 ASP CA C 57.290 0.019 1 163 14 14 ASP CB C 40.747 0.017 1 164 14 14 ASP N N 117.810 0.006 1 165 15 15 ALA H H 7.551 0.004 1 166 15 15 ALA HA H 4.349 0.003 1 167 15 15 ALA HB H 1.627 0.001 . 168 15 15 ALA C C 179.023 0.000 1 169 15 15 ALA CA C 54.800 0.019 1 170 15 15 ALA CB C 19.510 0.034 1 171 15 15 ALA N N 120.130 0.018 1 172 16 16 PHE H H 8.889 0.002 1 173 16 16 PHE HA H 3.776 0.003 1 174 16 16 PHE HB2 H 3.120 0.004 2 175 16 16 PHE HB3 H 3.364 0.000 2 176 16 16 PHE HD1 H 6.732 0.001 . 177 16 16 PHE HD2 H 6.732 0.001 . 178 16 16 PHE HE1 H 6.930 0.004 . 179 16 16 PHE HE2 H 6.930 0.004 . 180 16 16 PHE HZ H 7.367 0.000 1 181 16 16 PHE C C 177.891 0.000 1 182 16 16 PHE CA C 62.347 0.018 1 183 16 16 PHE CB C 40.972 0.011 1 184 16 16 PHE CD1 C 132.401 0.000 . 185 16 16 PHE CD2 C 132.401 0.000 . 186 16 16 PHE CE1 C 131.356 0.000 . 187 16 16 PHE CE2 C 131.356 0.000 . 188 16 16 PHE CZ C 130.399 0.000 1 189 16 16 PHE N N 120.409 0.003 1 190 17 17 VAL H H 8.527 0.003 1 191 17 17 VAL HA H 3.880 0.002 1 192 17 17 VAL HB H 2.333 0.001 1 193 17 17 VAL HG1 H 1.124 0.008 . 194 17 17 VAL HG2 H 1.086 0.002 . 195 17 17 VAL C C 178.574 0.000 1 196 17 17 VAL CA C 65.432 0.021 1 197 17 17 VAL CB C 31.676 0.031 1 198 17 17 VAL CG1 C 21.294 0.022 2 199 17 17 VAL CG2 C 21.182 0.031 2 200 17 17 VAL N N 113.297 0.001 1 201 18 18 GLN H H 7.396 0.003 1 202 18 18 GLN HA H 3.926 0.002 1 203 18 18 GLN HB2 H 2.060 0.002 2 204 18 18 GLN HB3 H 1.947 0.002 2 205 18 18 GLN HG2 H 2.385 0.000 2 206 18 18 GLN HG3 H 2.483 0.002 2 207 18 18 GLN HE21 H 7.396 0.000 2 208 18 18 GLN HE22 H 6.798 0.000 2 209 18 18 GLN C C 177.016 0.000 1 210 18 18 GLN CA C 57.768 0.038 1 211 18 18 GLN CB C 27.877 0.057 1 212 18 18 GLN CG C 33.798 0.010 1 213 18 18 GLN N N 117.702 0.001 1 214 18 18 GLN NE2 N 112.916 0.000 1 215 19 19 PHE H H 7.680 0.002 1 216 19 19 PHE HA H 4.237 0.005 1 217 19 19 PHE HB2 H 2.655 0.000 2 218 19 19 PHE HB3 H 3.029 0.000 2 219 19 19 PHE HD1 H 7.337 0.000 . 220 19 19 PHE HD2 H 7.337 0.000 . 221 19 19 PHE HE1 H 7.265 0.002 . 222 19 19 PHE HE2 H 7.265 0.002 . 223 19 19 PHE HZ H 7.082 0.000 1 224 19 19 PHE C C 174.864 0.000 1 225 19 19 PHE CA C 58.718 0.009 1 226 19 19 PHE CB C 39.721 0.008 1 227 19 19 PHE CD1 C 132.321 0.000 . 228 19 19 PHE CD2 C 132.321 0.000 . 229 19 19 PHE CE1 C 131.261 0.000 . 230 19 19 PHE CE2 C 131.261 0.000 . 231 19 19 PHE CZ C 129.092 0.000 1 232 19 19 PHE N N 116.347 0.003 1 233 20 20 ASP H H 7.471 0.002 1 234 20 20 ASP HA H 4.905 0.003 1 235 20 20 ASP HB2 H 2.098 0.001 2 236 20 20 ASP HB3 H 2.726 0.000 2 237 20 20 ASP C C 176.842 0.000 1 238 20 20 ASP CA C 52.191 0.020 1 239 20 20 ASP CB C 39.729 0.014 1 240 20 20 ASP N N 122.614 0.004 1 241 21 21 LYS H H 8.049 0.002 1 242 21 21 LYS HA H 4.019 0.004 1 243 21 21 LYS HB2 H 1.834 0.004 . 244 21 21 LYS HB3 H 1.834 0.004 . 245 21 21 LYS HG2 H 1.408 0.003 2 246 21 21 LYS HG3 H 1.453 0.003 2 247 21 21 LYS HD2 H 1.642 0.002 . 248 21 21 LYS HD3 H 1.642 0.002 . 249 21 21 LYS HE2 H 2.966 0.000 . 250 21 21 LYS HE3 H 2.966 0.000 . 251 21 21 LYS C C 178.698 0.000 1 252 21 21 LYS CA C 58.765 0.081 1 253 21 21 LYS CB C 32.502 0.028 1 254 21 21 LYS CG C 25.140 0.034 1 255 21 21 LYS CD C 28.934 0.073 1 256 21 21 LYS CE C 42.105 0.045 1 257 21 21 LYS N N 122.862 0.006 1 258 22 22 GLU H H 8.736 0.001 1 259 22 22 GLU HA H 4.380 0.003 1 260 22 22 GLU HB2 H 2.010 0.010 2 261 22 22 GLU HB3 H 2.237 0.004 2 262 22 22 GLU HG2 H 2.220 0.000 2 263 22 22 GLU HG3 H 2.267 0.000 2 264 22 22 GLU C C 177.213 0.000 1 265 22 22 GLU CA C 56.157 0.032 1 266 22 22 GLU CB C 30.082 0.044 1 267 22 22 GLU CG C 36.784 0.000 1 268 22 22 GLU N N 115.581 0.003 1 269 23 23 GLY H H 7.947 0.003 1 270 23 23 GLY HA2 H 3.872 0.005 . 271 23 23 GLY HA3 H 3.872 0.005 . 272 23 23 GLY C C 176.148 0.000 1 273 23 23 GLY CA C 47.408 0.035 1 274 23 23 GLY N N 110.270 0.003 1 275 24 24 THR H H 9.289 0.002 1 276 24 24 THR HA H 4.316 0.019 1 277 24 24 THR HB H 4.337 0.003 1 278 24 24 THR HG2 H 1.191 0.002 . 279 24 24 THR C C 176.833 0.000 1 280 24 24 THR CA C 62.261 0.018 1 281 24 24 THR CB C 70.697 0.036 1 282 24 24 THR CG2 C 22.196 0.006 1 283 24 24 THR N N 113.004 0.002 1 284 25 25 GLY H H 10.736 0.002 1 285 25 25 GLY HA2 H 3.778 0.014 . 286 25 25 GLY HA3 H 4.325 0.004 2 287 25 25 GLY C C 173.561 0.000 1 288 25 25 GLY CA C 45.427 0.031 1 289 25 25 GLY N N 115.270 0.001 1 290 26 26 LYS H H 7.724 0.001 1 291 26 26 LYS HA H 5.412 0.004 1 292 26 26 LYS HB2 H 1.503 0.004 2 293 26 26 LYS HB3 H 1.569 0.004 2 294 26 26 LYS HG2 H 1.212 0.002 2 295 26 26 LYS HG3 H 1.307 0.000 2 296 26 26 LYS HD2 H 1.449 0.000 2 297 26 26 LYS HD3 H 1.579 0.001 2 298 26 26 LYS HE2 H 2.954 0.002 . 299 26 26 LYS HE3 H 2.954 0.002 . 300 26 26 LYS C C 174.593 0.000 1 301 26 26 LYS CA C 54.642 0.028 1 302 26 26 LYS CB C 37.065 0.042 1 303 26 26 LYS CG C 25.212 0.039 1 304 26 26 LYS CD C 29.506 0.024 1 305 26 26 LYS CE C 42.410 0.050 1 306 26 26 LYS N N 118.662 0.021 1 307 27 27 ILE H H 8.538 0.003 1 308 27 27 ILE HA H 4.548 0.003 1 309 27 27 ILE HB H 1.547 0.001 1 310 27 27 ILE HG12 H 0.743 0.000 2 311 27 27 ILE HG13 H 1.106 0.002 2 312 27 27 ILE HG2 H -0.047 0.001 . 313 27 27 ILE HD1 H 0.256 0.002 . 314 27 27 ILE C C 174.944 0.000 1 315 27 27 ILE CA C 58.314 0.018 1 316 27 27 ILE CB C 41.614 0.016 1 317 27 27 ILE CG1 C 25.360 0.010 1 318 27 27 ILE CG2 C 17.557 0.011 1 319 27 27 ILE CD1 C 14.581 0.012 1 320 27 27 ILE N N 111.472 0.004 1 321 28 28 ALA H H 8.657 0.003 1 322 28 28 ALA HA H 4.800 0.000 1 323 28 28 ALA HB H 1.540 0.001 . 324 28 28 ALA C C 179.715 0.000 1 325 28 28 ALA CA C 51.346 0.020 1 326 28 28 ALA CB C 19.358 0.009 1 327 28 28 ALA N N 124.211 0.009 1 328 29 29 THR H H 8.485 0.003 1 329 29 29 THR HA H 3.592 0.002 1 330 29 29 THR HB H 4.151 0.005 1 331 29 29 THR HG2 H 1.100 0.002 . 332 29 29 THR C C 177.382 0.000 1 333 29 29 THR CA C 65.758 0.023 1 334 29 29 THR CB C 67.310 0.054 1 335 29 29 THR CG2 C 24.146 0.023 1 336 29 29 THR N N 115.429 0.003 1 337 30 30 ARG H H 7.992 0.001 1 338 30 30 ARG HA H 4.221 0.003 1 339 30 30 ARG HB2 H 1.932 0.000 2 340 30 30 ARG HB3 H 1.852 0.000 2 341 30 30 ARG HG2 H 1.576 0.002 2 342 30 30 ARG HG3 H 1.630 0.000 2 343 30 30 ARG HD2 H 3.194 0.000 . 344 30 30 ARG HD3 H 3.194 0.000 . 345 30 30 ARG C C 177.009 0.000 1 346 30 30 ARG CA C 58.098 0.024 1 347 30 30 ARG CB C 29.433 0.037 1 348 30 30 ARG CG C 27.082 0.011 1 349 30 30 ARG CD C 43.165 0.000 1 350 30 30 ARG N N 117.500 0.021 1 351 31 31 GLU H H 7.779 0.003 1 352 31 31 GLU HA H 4.621 0.003 1 353 31 31 GLU HB2 H 2.250 0.000 2 354 31 31 GLU HB3 H 1.861 0.000 2 355 31 31 GLU HG2 H 2.249 0.000 2 356 31 31 GLU HG3 H 2.376 0.000 2 357 31 31 GLU C C 175.966 0.000 1 358 31 31 GLU CA C 55.854 0.066 1 359 31 31 GLU CB C 29.851 0.099 1 360 31 31 GLU CG C 36.754 0.005 1 361 31 31 GLU N N 117.845 0.018 1 362 32 32 LEU H H 7.537 0.002 1 363 32 32 LEU HA H 3.658 0.002 1 364 32 32 LEU HB2 H 1.373 0.004 2 365 32 32 LEU HB3 H 1.834 0.004 2 366 32 32 LEU HG H 1.470 0.001 1 367 32 32 LEU HD1 H 0.976 0.001 . 368 32 32 LEU HD2 H 0.845 0.001 . 369 32 32 LEU C C 178.018 0.000 1 370 32 32 LEU CA C 58.570 0.023 1 371 32 32 LEU CB C 42.089 0.015 1 372 32 32 LEU CG C 27.038 0.001 1 373 32 32 LEU CD1 C 23.319 0.017 2 374 32 32 LEU CD2 C 26.411 0.027 2 375 32 32 LEU N N 120.007 0.031 1 376 33 33 GLY H H 8.946 0.001 1 377 33 33 GLY HA2 H 3.448 0.003 . 378 33 33 GLY HA3 H 3.782 0.002 2 379 33 33 GLY C C 175.153 0.000 1 380 33 33 GLY CA C 48.164 0.024 1 381 33 33 GLY N N 106.131 0.002 1 382 34 34 THR H H 7.765 0.002 1 383 34 34 THR HA H 3.822 0.002 1 384 34 34 THR HB H 4.139 0.001 1 385 34 34 THR HG2 H 1.386 0.001 . 386 34 34 THR C C 176.897 0.000 1 387 34 34 THR CA C 66.084 0.022 1 388 34 34 THR CB C 68.432 0.069 1 389 34 34 THR CG2 C 22.745 0.032 1 390 34 34 THR N N 118.338 0.004 1 391 35 35 LEU H H 7.686 0.003 1 392 35 35 LEU HA H 3.659 0.002 1 393 35 35 LEU HB2 H 0.321 0.000 2 394 35 35 LEU HB3 H 1.417 0.002 2 395 35 35 LEU HG H 1.048 0.003 1 396 35 35 LEU HD1 H 0.533 0.001 . 397 35 35 LEU HD2 H -0.106 0.002 . 398 35 35 LEU C C 178.612 0.000 1 399 35 35 LEU CA C 58.389 0.046 1 400 35 35 LEU CB C 40.184 0.021 1 401 35 35 LEU CG C 27.116 0.021 1 402 35 35 LEU CD1 C 22.720 0.015 2 403 35 35 LEU CD2 C 27.160 0.014 2 404 35 35 LEU N N 124.860 0.005 1 405 36 36 MET H H 8.818 0.002 1 406 36 36 MET HA H 3.741 0.003 1 407 36 36 MET HB2 H 1.894 0.000 2 408 36 36 MET HB3 H 2.001 0.000 2 409 36 36 MET HG2 H 2.461 0.000 2 410 36 36 MET HG3 H 2.849 0.000 2 411 36 36 MET HE H 1.755 0.000 . 412 36 36 MET C C 178.652 0.000 1 413 36 36 MET CA C 61.275 0.020 1 414 36 36 MET CB C 32.886 0.000 1 415 36 36 MET CG C 33.527 0.065 1 416 36 36 MET CE C 16.741 0.000 1 417 36 36 MET N N 117.884 0.003 1 418 37 37 ARG H H 8.248 0.003 1 419 37 37 ARG HA H 4.613 0.004 1 420 37 37 ARG HB2 H 1.916 0.000 2 421 37 37 ARG HB3 H 1.944 0.000 2 422 37 37 ARG HG2 H 1.824 0.004 2 423 37 37 ARG HG3 H 1.892 0.003 2 424 37 37 ARG HD2 H 3.077 0.001 2 425 37 37 ARG HD3 H 3.243 0.002 2 426 37 37 ARG C C 181.584 0.000 1 427 37 37 ARG CA C 59.325 0.043 1 428 37 37 ARG CB C 30.209 0.047 1 429 37 37 ARG CG C 29.280 0.000 1 430 37 37 ARG CD C 43.604 0.005 1 431 37 37 ARG N N 118.636 0.009 1 432 38 38 THR H H 8.141 0.003 1 433 38 38 THR HA H 4.191 0.003 1 434 38 38 THR HB H 4.581 0.002 1 435 38 38 THR HG2 H 1.469 0.001 . 436 38 38 THR C C 175.425 0.000 1 437 38 38 THR CA C 66.284 0.020 1 438 38 38 THR CB C 69.224 0.064 1 439 38 38 THR CG2 C 21.322 0.045 1 440 38 38 THR N N 117.930 0.009 1 441 39 39 LEU H H 7.257 0.003 1 442 39 39 LEU HA H 4.567 0.004 1 443 39 39 LEU HB2 H 1.746 0.007 2 444 39 39 LEU HB3 H 1.875 0.002 2 445 39 39 LEU HG H 1.717 0.004 1 446 39 39 LEU HD1 H 0.968 0.003 . 447 39 39 LEU HD2 H 1.147 0.001 . 448 39 39 LEU C C 177.009 0.000 1 449 39 39 LEU CA C 54.360 0.039 1 450 39 39 LEU CB C 42.690 0.096 1 451 39 39 LEU CG C 26.779 0.067 1 452 39 39 LEU CD1 C 26.724 0.025 2 453 39 39 LEU CD2 C 22.953 0.047 2 454 39 39 LEU N N 120.627 0.002 1 455 40 40 GLY H H 7.768 0.002 1 456 40 40 GLY HA2 H 3.802 0.003 . 457 40 40 GLY HA3 H 4.238 0.002 2 458 40 40 GLY C C 174.414 0.000 1 459 40 40 GLY CA C 45.987 0.029 1 460 40 40 GLY N N 106.889 0.005 1 461 41 41 GLN H H 7.927 0.003 1 462 41 41 GLN HA H 4.423 0.006 1 463 41 41 GLN HB2 H 1.519 0.002 2 464 41 41 GLN HB3 H 2.091 0.000 2 465 41 41 GLN HG2 H 1.978 0.001 2 466 41 41 GLN HG3 H 2.165 0.000 2 467 41 41 GLN HE21 H 6.956 0.000 2 468 41 41 GLN HE22 H 7.646 0.000 2 469 41 41 GLN C C 173.880 0.000 1 470 41 41 GLN CA C 53.575 0.044 1 471 41 41 GLN CB C 30.222 0.022 1 472 41 41 GLN CG C 33.407 0.011 1 473 41 41 GLN N N 117.910 0.004 1 474 41 41 GLN NE2 N 113.588 0.003 1 475 42 42 ASN H H 8.687 0.002 1 476 42 42 ASN HA H 5.168 0.002 1 477 42 42 ASN HB2 H 2.498 0.001 2 478 42 42 ASN HB3 H 2.726 0.001 2 479 42 42 ASN HD21 H 6.719 0.000 2 480 42 42 ASN HD22 H 7.527 0.000 2 481 42 42 ASN C C 171.911 0.000 1 482 42 42 ASN CA C 51.109 0.022 1 483 42 42 ASN CB C 39.523 0.001 1 484 42 42 ASN N N 117.124 0.005 1 485 42 42 ASN ND2 N 112.570 0.010 1 486 43 43 PRO HA H 4.706 0.004 1 487 43 43 PRO HB2 H 2.071 0.004 2 488 43 43 PRO HB3 H 1.937 0.002 2 489 43 43 PRO HG2 H 1.903 0.000 2 490 43 43 PRO HG3 H 1.988 0.001 2 491 43 43 PRO HD2 H 3.230 0.000 2 492 43 43 PRO HD3 H 3.642 0.000 2 493 43 43 PRO C C 177.609 0.000 1 494 43 43 PRO CA C 62.425 0.016 1 495 43 43 PRO CB C 31.574 0.029 1 496 43 43 PRO CG C 27.206 0.019 1 497 43 43 PRO CD C 50.110 0.032 1 498 44 44 THR H H 8.905 0.002 1 499 44 44 THR HA H 4.362 0.004 1 500 44 44 THR HB H 4.683 0.003 1 501 44 44 THR HG2 H 1.340 0.001 . 502 44 44 THR C C 175.080 0.000 1 503 44 44 THR CA C 60.942 0.038 1 504 44 44 THR CB C 70.840 0.037 1 505 44 44 THR CG2 C 21.838 0.091 1 506 44 44 THR N N 113.526 0.004 1 507 45 45 GLU H H 8.824 0.002 1 508 45 45 GLU HA H 3.973 0.003 1 509 45 45 GLU HB2 H 2.018 0.001 . 510 45 45 GLU HB3 H 2.018 0.001 . 511 45 45 GLU HG2 H 2.288 0.000 2 512 45 45 GLU HG3 H 2.355 0.000 2 513 45 45 GLU C C 179.100 0.000 1 514 45 45 GLU CA C 59.982 0.055 1 515 45 45 GLU CB C 29.124 0.060 1 516 45 45 GLU CG C 36.476 0.000 1 517 45 45 GLU N N 120.764 0.004 1 518 46 46 ALA H H 8.321 0.002 1 519 46 46 ALA HA H 4.060 0.002 1 520 46 46 ALA HB H 1.364 0.002 . 521 46 46 ALA C C 180.467 0.000 1 522 46 46 ALA CA C 55.023 0.029 1 523 46 46 ALA CB C 18.297 0.010 1 524 46 46 ALA N N 120.902 0.003 1 525 47 47 GLU H H 7.730 0.005 1 526 47 47 GLU HA H 4.006 0.001 1 527 47 47 GLU HB2 H 2.278 0.003 2 528 47 47 GLU HB3 H 1.837 0.019 2 529 47 47 GLU HG2 H 2.236 0.006 2 530 47 47 GLU HG3 H 2.352 0.012 2 531 47 47 GLU C C 180.014 0.000 1 532 47 47 GLU CA C 58.800 0.017 1 533 47 47 GLU CB C 29.873 0.044 1 534 47 47 GLU CG C 37.137 0.024 1 535 47 47 GLU N N 118.718 0.014 1 536 48 48 LEU H H 8.425 0.002 1 537 48 48 LEU HA H 3.924 0.002 1 538 48 48 LEU HB2 H 1.646 0.002 . 539 48 48 LEU HB3 H 1.646 0.002 . 540 48 48 LEU HG H 1.601 0.006 1 541 48 48 LEU HD1 H 0.804 0.001 . 542 48 48 LEU HD2 H 0.797 0.001 . 543 48 48 LEU C C 178.266 0.000 1 544 48 48 LEU CA C 58.030 0.014 1 545 48 48 LEU CB C 41.892 0.025 1 546 48 48 LEU CG C 27.172 0.050 1 547 48 48 LEU CD1 C 24.565 0.010 2 548 48 48 LEU CD2 C 24.748 0.006 2 549 48 48 LEU N N 119.756 0.003 1 550 49 49 GLN H H 8.040 0.003 1 551 49 49 GLN HA H 3.878 0.006 1 552 49 49 GLN HB2 H 2.104 0.002 2 553 49 49 GLN HB3 H 2.159 0.001 2 554 49 49 GLN HG2 H 2.465 0.001 . 555 49 49 GLN HG3 H 2.465 0.001 . 556 49 49 GLN HE21 H 7.539 0.000 2 557 49 49 GLN HE22 H 6.822 0.000 2 558 49 49 GLN C C 178.833 0.000 1 559 49 49 GLN CA C 58.879 0.016 1 560 49 49 GLN CB C 27.928 0.002 1 561 49 49 GLN CG C 33.874 0.001 1 562 49 49 GLN N N 116.651 0.003 1 563 49 49 GLN NE2 N 112.290 0.005 1 564 50 50 ASP H H 7.557 0.002 1 565 50 50 ASP HA H 4.483 0.002 1 566 50 50 ASP HB2 H 2.669 0.000 2 567 50 50 ASP HB3 H 2.716 0.000 2 568 50 50 ASP C C 178.764 0.000 1 569 50 50 ASP CA C 57.292 0.020 1 570 50 50 ASP CB C 40.558 0.018 1 571 50 50 ASP N N 119.260 0.003 1 572 51 51 LEU H H 8.032 0.002 1 573 51 51 LEU HA H 4.068 0.003 1 574 51 51 LEU HB2 H 2.021 0.001 2 575 51 51 LEU HB3 H 1.277 0.002 2 576 51 51 LEU HG H 1.918 0.002 1 577 51 51 LEU HD1 H 0.744 0.002 . 578 51 51 LEU HD2 H 0.861 0.001 . 579 51 51 LEU C C 179.876 0.000 1 580 51 51 LEU CA C 57.786 0.044 1 581 51 51 LEU CB C 42.523 0.021 1 582 51 51 LEU CG C 26.509 0.098 1 583 51 51 LEU CD1 C 25.103 0.020 2 584 51 51 LEU CD2 C 22.917 0.017 2 585 51 51 LEU N N 120.721 0.002 1 586 52 52 ILE H H 8.148 0.003 1 587 52 52 ILE HA H 3.768 0.003 1 588 52 52 ILE HB H 1.926 0.002 1 589 52 52 ILE HG12 H 1.105 0.001 2 590 52 52 ILE HG13 H 1.533 0.002 2 591 52 52 ILE HG2 H 0.843 0.001 . 592 52 52 ILE HD1 H 0.766 0.002 . 593 52 52 ILE C C 176.968 0.000 1 594 52 52 ILE CA C 64.279 0.020 1 595 52 52 ILE CB C 38.522 0.028 1 596 52 52 ILE CG1 C 28.208 0.027 1 597 52 52 ILE CG2 C 17.719 0.011 1 598 52 52 ILE CD1 C 13.811 0.012 1 599 52 52 ILE N N 115.482 0.004 1 600 53 53 ALA H H 7.749 0.003 1 601 53 53 ALA HA H 4.079 0.004 1 602 53 53 ALA HB H 1.503 0.001 . 603 53 53 ALA C C 180.138 0.000 1 604 53 53 ALA CA C 55.444 0.016 1 605 53 53 ALA CB C 18.267 0.004 1 606 53 53 ALA N N 122.862 0.006 1 607 54 54 GLU H H 8.059 0.003 1 608 54 54 GLU HA H 4.080 0.004 1 609 54 54 GLU HB2 H 2.068 0.001 . 610 54 54 GLU HB3 H 2.068 0.001 . 611 54 54 GLU HG2 H 2.259 0.000 2 612 54 54 GLU HG3 H 2.351 0.000 2 613 54 54 GLU C C 178.339 0.000 1 614 54 54 GLU CA C 58.966 0.026 1 615 54 54 GLU CB C 29.359 0.086 1 616 54 54 GLU CG C 36.203 0.000 1 617 54 54 GLU N N 117.672 0.003 1 618 55 55 ALA H H 8.043 0.002 1 619 55 55 ALA HA H 4.276 0.002 1 620 55 55 ALA HB H 1.391 0.001 . 621 55 55 ALA C C 180.862 0.000 1 622 55 55 ALA CA C 54.114 0.019 1 623 55 55 ALA CB C 18.729 0.026 1 624 55 55 ALA N N 122.222 0.002 1 625 56 56 GLU H H 8.616 0.003 1 626 56 56 GLU HA H 3.954 0.004 1 627 56 56 GLU HB2 H 2.035 0.003 2 628 56 56 GLU HB3 H 2.111 0.007 2 629 56 56 GLU HG2 H 2.210 0.000 2 630 56 56 GLU HG3 H 2.363 0.000 2 631 56 56 GLU C C 177.593 0.000 1 632 56 56 GLU CA C 58.978 0.015 1 633 56 56 GLU CB C 29.407 0.034 1 634 56 56 GLU CG C 36.860 0.009 1 635 56 56 GLU N N 118.996 0.005 1 636 57 57 ASN H H 8.099 0.002 1 637 57 57 ASN HA H 4.627 0.003 1 638 57 57 ASN HB2 H 2.763 0.000 2 639 57 57 ASN HB3 H 2.797 0.000 2 640 57 57 ASN HD21 H 6.946 0.000 2 641 57 57 ASN HD22 H 7.684 0.000 2 642 57 57 ASN C C 176.438 0.000 1 643 57 57 ASN CA C 54.826 0.017 1 644 57 57 ASN CB C 39.219 0.012 1 645 57 57 ASN N N 116.962 0.001 1 646 57 57 ASN ND2 N 113.433 0.015 1 647 58 58 ASN H H 8.515 0.004 1 648 58 58 ASN HA H 4.837 0.004 1 649 58 58 ASN HB2 H 2.796 0.000 2 650 58 58 ASN HB3 H 2.834 0.000 2 651 58 58 ASN HD21 H 6.954 0.000 2 652 58 58 ASN HD22 H 7.728 0.000 2 653 58 58 ASN C C 175.618 0.000 1 654 58 58 ASN CA C 54.082 0.027 1 655 58 58 ASN CB C 39.886 0.009 1 656 58 58 ASN N N 115.766 0.008 1 657 58 58 ASN ND2 N 113.941 0.001 1 658 59 59 ASN H H 8.168 0.002 1 659 59 59 ASN HA H 4.960 0.003 1 660 59 59 ASN HB2 H 2.806 0.002 2 661 59 59 ASN HB3 H 3.224 0.001 2 662 59 59 ASN HD21 H 6.898 0.000 2 663 59 59 ASN HD22 H 7.703 0.000 2 664 59 59 ASN C C 175.773 0.000 1 665 59 59 ASN CA C 53.238 0.023 1 666 59 59 ASN CB C 39.678 0.017 1 667 59 59 ASN N N 117.724 0.010 1 668 59 59 ASN ND2 N 112.902 0.001 1 669 60 60 ASN H H 8.698 0.001 1 670 60 60 ASN HA H 4.577 0.004 1 671 60 60 ASN HB2 H 2.735 0.001 2 672 60 60 ASN HB3 H 3.027 0.000 2 673 60 60 ASN HD21 H 6.861 0.000 2 674 60 60 ASN HD22 H 7.527 0.000 2 675 60 60 ASN C C 175.563 0.000 1 676 60 60 ASN CA C 54.146 0.021 1 677 60 60 ASN CB C 38.194 0.015 1 678 60 60 ASN N N 116.612 0.003 1 679 60 60 ASN ND2 N 112.560 0.001 1 680 61 61 GLY H H 8.389 0.002 1 681 61 61 GLY HA2 H 3.685 0.006 . 682 61 61 GLY HA3 H 4.116 0.004 2 683 61 61 GLY C C 174.471 0.000 1 684 61 61 GLY CA C 46.622 0.028 1 685 61 61 GLY N N 105.082 0.009 1 686 62 62 GLN H H 7.508 0.003 1 687 62 62 GLN HA H 5.337 0.004 1 688 62 62 GLN HB2 H 1.948 0.001 2 689 62 62 GLN HB3 H 1.895 0.005 2 690 62 62 GLN HG2 H 2.171 0.003 2 691 62 62 GLN HG3 H 2.301 0.002 2 692 62 62 GLN HE21 H 6.753 0.000 2 693 62 62 GLN HE22 H 7.333 0.000 2 694 62 62 GLN C C 174.454 0.000 1 695 62 62 GLN CA C 54.232 0.017 1 696 62 62 GLN CB C 33.545 0.008 1 697 62 62 GLN CG C 33.802 0.052 1 698 62 62 GLN N N 118.876 0.002 1 699 62 62 GLN NE2 N 111.341 0.000 1 700 63 63 LEU H H 9.053 0.003 1 701 63 63 LEU HA H 4.981 0.004 1 702 63 63 LEU HB2 H 1.606 0.003 . 703 63 63 LEU HB3 H 1.606 0.003 . 704 63 63 LEU HG H 1.628 0.000 1 705 63 63 LEU HD1 H 0.844 0.001 . 706 63 63 LEU HD2 H 0.845 0.001 . 707 63 63 LEU C C 175.939 0.000 1 708 63 63 LEU CA C 53.717 0.024 1 709 63 63 LEU CB C 46.176 0.024 1 710 63 63 LEU CG C 26.101 0.000 1 711 63 63 LEU CD1 C 25.723 0.007 2 712 63 63 LEU CD2 C 27.587 0.012 2 713 63 63 LEU N N 120.885 0.006 1 714 64 64 ASN H H 9.242 0.002 1 715 64 64 ASN HA H 5.653 0.003 1 716 64 64 ASN HB2 H 3.488 0.001 2 717 64 64 ASN HB3 H 2.769 0.001 2 718 64 64 ASN HD21 H 6.894 0.000 2 719 64 64 ASN HD22 H 7.435 0.000 2 720 64 64 ASN C C 175.761 0.000 1 721 64 64 ASN CA C 50.918 0.016 1 722 64 64 ASN CB C 39.264 0.016 1 723 64 64 ASN N N 120.492 0.004 1 724 64 64 ASN ND2 N 110.708 0.004 1 725 65 65 PHE H H 8.649 0.002 1 726 65 65 PHE HA H 3.605 0.002 1 727 65 65 PHE HB2 H 2.643 0.000 2 728 65 65 PHE HB3 H 2.322 0.003 2 729 65 65 PHE HD1 H 6.604 0.000 . 730 65 65 PHE HD2 H 6.604 0.000 . 731 65 65 PHE HE1 H 7.085 0.003 . 732 65 65 PHE HE2 H 7.085 0.003 . 733 65 65 PHE HZ H 7.511 0.000 1 734 65 65 PHE C C 177.445 0.000 1 735 65 65 PHE CA C 62.008 0.018 1 736 65 65 PHE CB C 38.892 0.010 1 737 65 65 PHE CD1 C 131.768 0.000 . 738 65 65 PHE CD2 C 131.768 0.000 . 739 65 65 PHE CE1 C 130.633 0.000 . 740 65 65 PHE CE2 C 130.633 0.000 . 741 65 65 PHE CZ C 130.254 0.000 1 742 65 65 PHE N N 118.334 0.010 1 743 66 66 THR H H 8.104 0.003 1 744 66 66 THR HA H 3.596 0.003 1 745 66 66 THR HB H 4.184 0.003 1 746 66 66 THR HG2 H 1.209 0.002 . 747 66 66 THR C C 177.935 0.000 1 748 66 66 THR CA C 66.990 0.024 1 749 66 66 THR CB C 68.422 0.043 1 750 66 66 THR CG2 C 21.894 0.028 1 751 66 66 THR N N 117.328 0.005 1 752 67 67 GLU H H 8.738 0.002 1 753 67 67 GLU HA H 3.957 0.003 1 754 67 67 GLU HB2 H 1.896 0.002 2 755 67 67 GLU HB3 H 2.355 0.003 2 756 67 67 GLU HG2 H 2.263 0.000 2 757 67 67 GLU HG3 H 2.466 0.001 2 758 67 67 GLU C C 180.199 0.000 1 759 67 67 GLU CA C 58.937 0.028 1 760 67 67 GLU CB C 29.770 0.023 1 761 67 67 GLU CG C 36.886 0.007 1 762 67 67 GLU N N 123.544 0.004 1 763 68 68 PHE H H 8.672 0.002 1 764 68 68 PHE HA H 4.082 0.011 1 765 68 68 PHE HB2 H 3.156 0.000 . 766 68 68 PHE HB3 H 3.156 0.000 . 767 68 68 PHE HD1 H 6.936 0.013 . 768 68 68 PHE HD2 H 6.936 0.013 . 769 68 68 PHE HE1 H 7.223 0.004 . 770 68 68 PHE HE2 H 7.223 0.004 . 771 68 68 PHE HZ H 6.938 0.000 1 772 68 68 PHE C C 176.369 0.000 1 773 68 68 PHE CA C 61.556 0.064 1 774 68 68 PHE CB C 39.144 0.036 1 775 68 68 PHE CD1 C 131.248 0.000 . 776 68 68 PHE CD2 C 131.248 0.000 . 777 68 68 PHE CE1 C 131.890 0.000 . 778 68 68 PHE CE2 C 131.890 0.000 . 779 68 68 PHE CZ C 130.633 0.000 1 780 68 68 PHE N N 120.984 0.006 1 781 69 69 CYS H H 8.314 0.002 1 782 69 69 CYS HA H 3.343 0.002 1 783 69 69 CYS HB2 H 2.325 0.001 2 784 69 69 CYS HB3 H 2.769 0.001 2 785 69 69 CYS C C 176.517 0.000 1 786 69 69 CYS CA C 65.054 0.034 1 787 69 69 CYS CB C 26.475 0.007 1 788 69 69 CYS N N 117.704 0.004 1 789 70 70 GLY H H 7.697 0.004 1 790 70 70 GLY HA2 H 3.721 0.005 . 791 70 70 GLY HA3 H 3.788 0.006 2 792 70 70 GLY C C 176.456 0.000 1 793 70 70 GLY CA C 47.070 0.021 1 794 70 70 GLY N N 106.485 0.005 1 795 71 71 ILE H H 7.525 0.002 1 796 71 71 ILE HA H 3.572 0.002 1 797 71 71 ILE HB H 1.808 0.001 1 798 71 71 ILE HG12 H 1.061 0.003 2 799 71 71 ILE HG13 H 1.706 0.000 2 800 71 71 ILE HG2 H 0.786 0.002 . 801 71 71 ILE HD1 H 0.818 0.001 . 802 71 71 ILE C C 178.168 0.000 1 803 71 71 ILE CA C 65.213 0.035 1 804 71 71 ILE CB C 38.246 0.008 1 805 71 71 ILE CG1 C 29.579 0.014 1 806 71 71 ILE CG2 C 17.291 0.099 1 807 71 71 ILE CD1 C 14.916 0.014 1 808 71 71 ILE N N 123.890 0.001 1 809 72 72 MET H H 7.669 0.002 1 810 72 72 MET HA H 3.974 0.002 1 811 72 72 MET HB2 H 1.518 0.005 2 812 72 72 MET HB3 H 1.425 0.004 2 813 72 72 MET HG2 H 0.903 0.000 2 814 72 72 MET HG3 H 1.040 0.000 2 815 72 72 MET HE H 1.518 0.002 . 816 72 72 MET C C 178.681 0.000 1 817 72 72 MET CA C 56.048 0.013 1 818 72 72 MET CB C 30.355 0.046 1 819 72 72 MET CG C 32.460 0.047 1 820 72 72 MET CE C 16.849 0.017 1 821 72 72 MET N N 117.820 0.005 1 822 73 73 ALA H H 8.329 0.002 1 823 73 73 ALA HA H 3.980 0.003 1 824 73 73 ALA HB H 1.422 0.001 . 825 73 73 ALA C C 180.021 0.000 1 826 73 73 ALA CA C 55.058 0.026 1 827 73 73 ALA CB C 17.980 0.023 1 828 73 73 ALA N N 120.480 0.004 1 829 74 74 LYS H H 7.357 0.002 1 830 74 74 LYS HA H 4.015 0.006 1 831 74 74 LYS HB2 H 1.867 0.002 2 832 74 74 LYS HB3 H 1.907 0.000 2 833 74 74 LYS HG2 H 1.387 0.001 2 834 74 74 LYS HG3 H 1.498 0.003 2 835 74 74 LYS HD2 H 1.612 0.001 . 836 74 74 LYS HD3 H 1.612 0.001 . 837 74 74 LYS HE2 H 2.905 0.002 . 838 74 74 LYS HE3 H 2.905 0.002 . 839 74 74 LYS C C 178.329 0.000 1 840 74 74 LYS CA C 58.740 0.031 1 841 74 74 LYS CB C 32.456 0.013 1 842 74 74 LYS CG C 25.148 0.003 1 843 74 74 LYS CD C 29.534 0.048 1 844 74 74 LYS CE C 42.055 0.047 1 845 74 74 LYS N N 116.993 0.002 1 846 75 75 GLN H H 7.884 0.002 1 847 75 75 GLN HA H 4.018 0.001 1 848 75 75 GLN HB2 H 2.037 0.001 . 849 75 75 GLN HB3 H 2.037 0.001 . 850 75 75 GLN HG2 H 2.200 0.000 . 851 75 75 GLN HG3 H 2.200 0.000 . 852 75 75 GLN HE21 H 6.795 0.000 2 853 75 75 GLN HE22 H 7.363 0.000 2 854 75 75 GLN C C 177.232 0.000 1 855 75 75 GLN CA C 56.818 0.032 1 856 75 75 GLN CB C 28.461 0.021 1 857 75 75 GLN CG C 33.379 0.008 1 858 75 75 GLN N N 118.200 0.004 1 859 75 75 GLN NE2 N 110.022 0.001 1 860 76 76 MET H H 7.806 0.002 1 861 76 76 MET HA H 4.250 0.006 1 862 76 76 MET HB2 H 1.990 0.006 2 863 76 76 MET HB3 H 2.186 0.002 2 864 76 76 MET HG2 H 2.534 0.000 2 865 76 76 MET HG3 H 2.662 0.000 2 866 76 76 MET HE H 2.082 0.000 . 867 76 76 MET C C 176.245 0.000 1 868 76 76 MET CA C 56.472 0.040 1 869 76 76 MET CB C 33.248 0.077 1 870 76 76 MET CG C 32.087 0.012 1 871 76 76 MET CE C 16.934 0.007 1 872 76 76 MET N N 116.887 0.014 1 873 77 77 ARG H H 7.723 0.002 1 874 77 77 ARG HA H 4.271 0.003 1 875 77 77 ARG HB2 H 1.867 0.000 . 876 77 77 ARG HB3 H 1.867 0.000 . 877 77 77 ARG HG2 H 1.668 0.003 . 878 77 77 ARG HG3 H 1.668 0.003 . 879 77 77 ARG HD2 H 3.196 0.000 . 880 77 77 ARG HD3 H 3.196 0.000 . 881 77 77 ARG C C 176.571 0.000 1 882 77 77 ARG CA C 56.741 0.020 1 883 77 77 ARG CB C 30.846 0.016 1 884 77 77 ARG CG C 27.063 0.027 1 885 77 77 ARG CD C 43.532 0.011 1 886 77 77 ARG N N 120.950 0.008 1 887 78 78 GLU H H 8.476 0.002 1 888 78 78 GLU HA H 4.354 0.003 1 889 78 78 GLU HB2 H 2.086 0.005 2 890 78 78 GLU HB3 H 1.964 0.002 2 891 78 78 GLU HG2 H 2.269 0.003 2 892 78 78 GLU HG3 H 2.346 0.003 2 893 78 78 GLU C C 176.942 0.000 1 894 78 78 GLU CA C 56.686 0.053 1 895 78 78 GLU CB C 30.265 0.038 1 896 78 78 GLU CG C 36.302 0.003 1 897 78 78 GLU N N 122.440 0.002 1 898 79 79 THR H H 8.231 0.002 1 899 79 79 THR HA H 4.303 0.005 1 900 79 79 THR HB H 4.206 0.003 1 901 79 79 THR HG2 H 1.202 0.002 . 902 79 79 THR C C 174.378 0.000 1 903 79 79 THR CA C 62.276 0.021 1 904 79 79 THR CB C 70.020 0.070 1 905 79 79 THR CG2 C 21.683 0.057 1 906 79 79 THR N N 115.617 0.005 1 907 80 80 ASP H H 8.524 0.002 1 908 80 80 ASP HA H 4.722 0.003 1 909 80 80 ASP HB2 H 2.698 0.000 2 910 80 80 ASP HB3 H 2.815 0.000 2 911 80 80 ASP C C 177.073 0.000 1 912 80 80 ASP CA C 54.466 0.018 1 913 80 80 ASP CB C 41.233 0.000 1 914 80 80 ASP N N 123.799 0.001 1 915 81 81 THR H H 8.335 0.002 1 916 81 81 THR HA H 4.273 0.043 1 917 81 81 THR HB H 4.357 0.002 1 918 81 81 THR HG2 H 1.261 0.001 . 919 81 81 THR C C 175.716 0.000 1 920 81 81 THR CA C 63.567 0.020 1 921 81 81 THR CB C 69.509 0.047 1 922 81 81 THR CG2 C 21.920 0.050 1 923 81 81 THR N N 115.712 0.001 1 924 82 82 GLU H H 8.384 0.002 1 925 82 82 GLU HA H 4.223 0.003 1 926 82 82 GLU HB2 H 2.124 0.014 2 927 82 82 GLU HB3 H 2.103 0.000 2 928 82 82 GLU HG2 H 2.305 0.000 2 929 82 82 GLU HG3 H 2.342 0.000 2 930 82 82 GLU C C 177.697 0.000 1 931 82 82 GLU CA C 58.669 0.032 1 932 82 82 GLU CB C 29.548 0.017 1 933 82 82 GLU CG C 36.399 0.000 1 934 82 82 GLU N N 122.440 0.004 1 935 83 83 GLU H H 8.208 0.002 1 936 83 83 GLU HA H 4.037 0.005 1 937 83 83 GLU HB2 H 2.082 0.006 . 938 83 83 GLU HB3 H 2.082 0.006 . 939 83 83 GLU HG2 H 2.306 0.009 2 940 83 83 GLU HG3 H 2.346 0.004 2 941 83 83 GLU C C 178.735 0.000 1 942 83 83 GLU CA C 59.308 0.063 1 943 83 83 GLU CB C 29.506 0.038 1 944 83 83 GLU CG C 36.330 0.014 1 945 83 83 GLU N N 119.699 0.007 1 946 84 84 GLU H H 8.239 0.003 1 947 84 84 GLU HA H 4.101 0.005 1 948 84 84 GLU HB2 H 2.182 0.002 . 949 84 84 GLU HB3 H 2.182 0.002 . 950 84 84 GLU HG2 H 2.394 0.000 2 951 84 84 GLU HG3 H 2.470 0.000 2 952 84 84 GLU C C 179.920 0.000 1 953 84 84 GLU CA C 59.590 0.031 1 954 84 84 GLU CB C 29.562 0.010 1 955 84 84 GLU CG C 36.665 0.000 1 956 84 84 GLU N N 118.985 0.008 1 957 85 85 MET H H 8.263 0.002 1 958 85 85 MET HA H 4.540 0.003 1 959 85 85 MET HB2 H 2.242 0.001 2 960 85 85 MET HB3 H 2.633 0.001 2 961 85 85 MET HG2 H 2.634 0.001 2 962 85 85 MET HG3 H 2.849 0.001 2 963 85 85 MET HE H 2.013 0.000 . 964 85 85 MET C C 178.517 0.000 1 965 85 85 MET CA C 58.660 0.029 1 966 85 85 MET CB C 32.777 0.095 1 967 85 85 MET CG C 33.160 0.017 1 968 85 85 MET CE C 17.489 0.004 1 969 85 85 MET N N 120.226 0.003 1 970 86 86 ARG H H 8.493 0.001 1 971 86 86 ARG HA H 4.084 0.005 1 972 86 86 ARG HB2 H 1.747 0.005 2 973 86 86 ARG HB3 H 2.045 0.000 2 974 86 86 ARG HG2 H 1.475 0.002 2 975 86 86 ARG HG3 H 1.758 0.002 2 976 86 86 ARG HD2 H 2.813 0.004 2 977 86 86 ARG HD3 H 2.864 0.001 2 978 86 86 ARG C C 179.766 0.000 1 979 86 86 ARG CA C 59.526 0.053 1 980 86 86 ARG CB C 29.799 0.034 1 981 86 86 ARG CG C 27.228 0.013 1 982 86 86 ARG CD C 42.974 0.006 1 983 86 86 ARG N N 120.760 0.009 1 984 87 87 GLU H H 8.201 0.003 1 985 87 87 GLU HA H 4.050 0.004 1 986 87 87 GLU HB2 H 2.125 0.004 . 987 87 87 GLU HB3 H 2.125 0.004 . 988 87 87 GLU HG2 H 2.386 0.001 . 989 87 87 GLU HG3 H 2.386 0.001 . 990 87 87 GLU C C 179.026 0.000 1 991 87 87 GLU CA C 58.956 0.104 1 992 87 87 GLU CB C 29.082 0.082 1 993 87 87 GLU CG C 36.029 0.013 1 994 87 87 GLU N N 118.897 0.003 1 995 88 88 ALA H H 8.072 0.002 1 996 88 88 ALA HA H 4.236 0.003 1 997 88 88 ALA HB H 1.816 0.002 . 998 88 88 ALA C C 179.452 0.000 1 999 88 88 ALA CA C 55.186 0.015 1 1000 88 88 ALA CB C 17.862 0.022 1 1001 88 88 ALA N N 122.582 0.007 1 1002 89 89 PHE H H 8.454 0.002 1 1003 89 89 PHE HA H 3.090 0.002 1 1004 89 89 PHE HB2 H 3.037 0.000 2 1005 89 89 PHE HB3 H 3.152 0.000 2 1006 89 89 PHE HD1 H 6.669 0.001 . 1007 89 89 PHE HD2 H 6.669 0.001 . 1008 89 89 PHE HE1 H 6.979 0.001 . 1009 89 89 PHE HE2 H 6.979 0.001 . 1010 89 89 PHE HZ H 7.094 0.000 1 1011 89 89 PHE C C 176.756 0.000 1 1012 89 89 PHE CA C 62.020 0.023 1 1013 89 89 PHE CB C 39.450 0.017 1 1014 89 89 PHE CD1 C 131.785 0.000 . 1015 89 89 PHE CD2 C 131.785 0.000 . 1016 89 89 PHE CE1 C 131.238 0.000 . 1017 89 89 PHE CE2 C 131.238 0.000 . 1018 89 89 PHE CZ C 129.558 0.000 1 1019 89 89 PHE N N 118.972 0.002 1 1020 90 90 LYS H H 7.590 0.002 1 1021 90 90 LYS HA H 3.845 0.003 1 1022 90 90 LYS HB2 H 1.914 0.005 . 1023 90 90 LYS HB3 H 1.914 0.005 . 1024 90 90 LYS HG2 H 1.510 0.001 2 1025 90 90 LYS HG3 H 1.766 0.000 2 1026 90 90 LYS HD2 H 1.686 0.003 . 1027 90 90 LYS HD3 H 1.686 0.003 . 1028 90 90 LYS HE2 H 2.909 0.000 . 1029 90 90 LYS HE3 H 2.909 0.000 . 1030 90 90 LYS C C 178.112 0.000 1 1031 90 90 LYS CA C 59.094 0.024 1 1032 90 90 LYS CB C 32.665 0.034 1 1033 90 90 LYS CG C 25.558 0.030 1 1034 90 90 LYS CD C 29.723 0.065 1 1035 90 90 LYS CE C 42.044 0.008 1 1036 90 90 LYS N N 115.581 0.003 1 1037 91 91 ILE H H 7.352 0.003 1 1038 91 91 ILE HA H 3.583 0.002 1 1039 91 91 ILE HB H 2.032 0.002 1 1040 91 91 ILE HG12 H 1.221 0.001 2 1041 91 91 ILE HG13 H 1.646 0.004 2 1042 91 91 ILE HG2 H 0.637 0.001 . 1043 91 91 ILE HD1 H 0.816 0.002 . 1044 91 91 ILE C C 177.444 0.000 1 1045 91 91 ILE CA C 63.590 0.032 1 1046 91 91 ILE CB C 37.351 0.020 1 1047 91 91 ILE CG1 C 28.574 0.030 1 1048 91 91 ILE CG2 C 16.914 0.037 1 1049 91 91 ILE CD1 C 12.350 0.012 1 1050 91 91 ILE N N 117.944 0.004 1 1051 92 92 PHE H H 7.251 0.003 1 1052 92 92 PHE HA H 4.229 0.003 1 1053 92 92 PHE HB2 H 2.589 0.000 2 1054 92 92 PHE HB3 H 2.621 0.000 2 1055 92 92 PHE HD1 H 7.294 0.001 . 1056 92 92 PHE HD2 H 7.294 0.001 . 1057 92 92 PHE HE1 H 7.390 0.000 . 1058 92 92 PHE HE2 H 7.390 0.000 . 1059 92 92 PHE HZ H 7.334 0.000 1 1060 92 92 PHE C C 176.824 0.000 1 1061 92 92 PHE CA C 59.937 0.014 1 1062 92 92 PHE CB C 40.792 0.011 1 1063 92 92 PHE CD1 C 131.797 0.000 . 1064 92 92 PHE CD2 C 131.797 0.000 . 1065 92 92 PHE CE1 C 131.252 0.000 . 1066 92 92 PHE CE2 C 131.252 0.000 . 1067 92 92 PHE CZ C 130.068 0.000 1 1068 92 92 PHE N N 117.116 0.005 1 1069 93 93 ASP H H 7.808 0.002 1 1070 93 93 ASP HA H 4.496 0.003 1 1071 93 93 ASP HB2 H 1.402 0.000 2 1072 93 93 ASP HB3 H 2.278 0.000 2 1073 93 93 ASP C C 177.053 0.000 1 1074 93 93 ASP CA C 52.150 0.020 1 1075 93 93 ASP CB C 38.384 0.022 1 1076 93 93 ASP N N 116.681 0.008 1 1077 94 94 ARG H H 7.558 0.003 1 1078 94 94 ARG HA H 3.855 0.004 1 1079 94 94 ARG HB2 H 1.843 0.000 2 1080 94 94 ARG HB3 H 1.705 0.000 2 1081 94 94 ARG HG2 H 1.605 0.001 2 1082 94 94 ARG HG3 H 1.704 0.002 2 1083 94 94 ARG HD2 H 2.967 0.000 2 1084 94 94 ARG HD3 H 3.121 0.004 2 1085 94 94 ARG C C 178.283 0.000 1 1086 94 94 ARG CA C 58.787 0.026 1 1087 94 94 ARG CB C 30.508 0.007 1 1088 94 94 ARG CG C 27.000 0.008 1 1089 94 94 ARG CD C 42.983 0.042 1 1090 94 94 ARG N N 124.531 0.004 1 1091 95 95 ASP H H 8.239 0.004 1 1092 95 95 ASP HA H 4.546 0.004 1 1093 95 95 ASP HB2 H 3.053 0.000 2 1094 95 95 ASP HB3 H 2.577 0.000 2 1095 95 95 ASP C C 177.941 0.000 1 1096 95 95 ASP CA C 52.994 0.025 1 1097 95 95 ASP CB C 39.907 0.034 1 1098 95 95 ASP N N 114.117 0.004 1 1099 96 96 GLY H H 7.677 0.002 1 1100 96 96 GLY HA2 H 3.802 0.001 . 1101 96 96 GLY HA3 H 3.885 0.008 2 1102 96 96 GLY C C 175.259 0.000 1 1103 96 96 GLY CA C 47.400 0.011 1 1104 96 96 GLY N N 109.842 0.003 1 1105 97 97 ASP H H 8.488 0.003 1 1106 97 97 ASP HA H 4.468 0.002 1 1107 97 97 ASP HB2 H 2.568 0.000 2 1108 97 97 ASP HB3 H 3.144 0.000 2 1109 97 97 ASP C C 176.840 0.000 1 1110 97 97 ASP CA C 54.050 0.017 1 1111 97 97 ASP CB C 40.436 0.021 1 1112 97 97 ASP N N 121.034 0.025 1 1113 98 98 GLY H H 10.408 0.003 1 1114 98 98 GLY HA2 H 3.418 0.004 . 1115 98 98 GLY HA3 H 4.010 0.003 2 1116 98 98 GLY C C 172.505 0.006 1 1117 98 98 GLY CA C 45.000 0.026 1 1118 98 98 GLY N N 112.397 0.002 1 1119 99 99 PHE H H 8.160 0.004 1 1120 99 99 PHE HA H 5.158 0.004 1 1121 99 99 PHE HB2 H 2.735 0.000 2 1122 99 99 PHE HB3 H 2.817 0.000 2 1123 99 99 PHE HD1 H 6.899 0.004 . 1124 99 99 PHE HD2 H 6.899 0.004 . 1125 99 99 PHE HE1 H 7.436 0.000 . 1126 99 99 PHE HE2 H 7.436 0.000 . 1127 99 99 PHE HZ H 7.269 0.000 1 1128 99 99 PHE C C 174.678 0.000 1 1129 99 99 PHE CA C 56.158 0.011 1 1130 99 99 PHE CB C 44.466 0.024 1 1131 99 99 PHE CD1 C 132.334 0.000 . 1132 99 99 PHE CD2 C 132.334 0.000 . 1133 99 99 PHE CE1 C 131.472 0.000 . 1134 99 99 PHE CE2 C 131.472 0.000 . 1135 99 99 PHE CZ C 129.990 0.000 1 1136 99 99 PHE N N 117.085 0.009 1 1137 100 100 ILE H H 10.273 0.003 1 1138 100 100 ILE HA H 4.751 0.000 1 1139 100 100 ILE HB H 1.935 0.001 1 1140 100 100 ILE HG12 H 0.202 0.001 2 1141 100 100 ILE HG13 H 1.240 0.001 2 1142 100 100 ILE HG2 H 0.957 0.001 . 1143 100 100 ILE HD1 H 0.340 0.002 . 1144 100 100 ILE C C 175.682 0.000 1 1145 100 100 ILE CA C 60.572 0.018 1 1146 100 100 ILE CB C 38.817 0.008 1 1147 100 100 ILE CG1 C 26.847 0.011 1 1148 100 100 ILE CG2 C 18.071 0.006 1 1149 100 100 ILE CD1 C 16.075 0.005 1 1150 100 100 ILE N N 126.340 0.004 1 1151 101 101 SER H H 9.527 0.003 1 1152 101 101 SER HA H 5.091 0.003 1 1153 101 101 SER HB2 H 4.423 0.003 2 1154 101 101 SER HB3 H 3.992 0.001 2 1155 101 101 SER C C 173.596 0.000 1 1156 101 101 SER CA C 55.898 0.016 1 1157 101 101 SER CB C 63.612 0.003 1 1158 101 101 SER N N 125.969 0.004 1 1159 102 102 PRO HA H 4.112 0.002 1 1160 102 102 PRO HB2 H 2.015 0.002 2 1161 102 102 PRO HB3 H 2.363 0.001 2 1162 102 102 PRO HG2 H 2.083 0.000 2 1163 102 102 PRO HG3 H 2.349 0.004 2 1164 102 102 PRO HD2 H 3.999 0.000 2 1165 102 102 PRO HD3 H 4.056 0.000 2 1166 102 102 PRO C C 178.363 0.000 1 1167 102 102 PRO CA C 66.529 0.026 1 1168 102 102 PRO CB C 31.451 0.018 1 1169 102 102 PRO CG C 28.515 0.015 1 1170 102 102 PRO CD C 49.940 0.000 1 1171 103 103 ALA H H 8.003 0.002 1 1172 103 103 ALA HA H 4.087 0.003 1 1173 103 103 ALA HB H 1.409 0.001 . 1174 103 103 ALA C C 181.590 0.000 1 1175 103 103 ALA CA C 55.162 0.021 1 1176 103 103 ALA CB C 18.517 0.105 1 1177 103 103 ALA N N 117.252 0.004 1 1178 104 104 GLU H H 7.979 0.002 1 1179 104 104 GLU HA H 4.053 0.007 1 1180 104 104 GLU HB2 H 2.632 0.000 2 1181 104 104 GLU HB3 H 2.652 0.008 2 1182 104 104 GLU HG2 H 2.240 0.000 . 1183 104 104 GLU HG3 H 2.240 0.000 . 1184 104 104 GLU C C 178.819 0.000 1 1185 104 104 GLU CA C 59.457 0.036 1 1186 104 104 GLU CB C 29.265 0.045 1 1187 104 104 GLU CG C 38.024 0.000 1 1188 104 104 GLU N N 121.099 0.003 1 1189 105 105 LEU H H 8.531 0.002 1 1190 105 105 LEU HA H 4.146 0.003 1 1191 105 105 LEU HB2 H 1.945 0.005 2 1192 105 105 LEU HB3 H 1.508 0.000 2 1193 105 105 LEU HG H 1.673 0.002 1 1194 105 105 LEU HD1 H 0.954 0.000 . 1195 105 105 LEU HD2 H 0.942 0.001 . 1196 105 105 LEU C C 178.391 0.000 1 1197 105 105 LEU CA C 58.400 0.017 1 1198 105 105 LEU CB C 42.128 0.011 1 1199 105 105 LEU CG C 27.120 0.000 1 1200 105 105 LEU CD1 C 24.266 0.009 2 1201 105 105 LEU CD2 C 26.492 0.004 2 1202 105 105 LEU N N 120.758 0.004 1 1203 106 106 ARG H H 8.320 0.002 1 1204 106 106 ARG HA H 3.759 0.002 1 1205 106 106 ARG HB2 H 1.900 0.001 . 1206 106 106 ARG HB3 H 1.900 0.001 . 1207 106 106 ARG HG2 H 1.604 0.001 . 1208 106 106 ARG HG3 H 1.604 0.001 . 1209 106 106 ARG HD2 H 3.172 0.000 2 1210 106 106 ARG HD3 H 3.227 0.000 2 1211 106 106 ARG C C 177.174 0.000 1 1212 106 106 ARG CA C 60.228 0.024 1 1213 106 106 ARG CB C 30.582 0.019 1 1214 106 106 ARG CG C 28.165 0.025 1 1215 106 106 ARG CD C 43.445 0.000 1 1216 106 106 ARG N N 117.083 0.004 1 1217 107 107 PHE H H 7.853 0.002 1 1218 107 107 PHE HA H 4.063 0.004 1 1219 107 107 PHE HB2 H 3.257 0.003 . 1220 107 107 PHE HB3 H 3.257 0.003 . 1221 107 107 PHE HD1 H 7.188 0.000 . 1222 107 107 PHE HD2 H 7.188 0.000 . 1223 107 107 PHE HE1 H 7.295 0.004 . 1224 107 107 PHE HE2 H 7.295 0.004 . 1225 107 107 PHE C C 178.085 0.000 1 1226 107 107 PHE CA C 61.502 0.048 1 1227 107 107 PHE CB C 39.622 0.018 1 1228 107 107 PHE CD1 C 131.983 0.000 . 1229 107 107 PHE CD2 C 131.983 0.000 . 1230 107 107 PHE CE1 C 131.155 0.000 . 1231 107 107 PHE CE2 C 131.155 0.000 . 1232 107 107 PHE N N 117.281 0.001 1 1233 108 108 VAL H H 8.054 0.003 1 1234 108 108 VAL HA H 3.435 0.003 1 1235 108 108 VAL HB H 2.002 0.000 1 1236 108 108 VAL HG1 H 0.319 0.002 . 1237 108 108 VAL HG2 H 0.921 0.001 . 1238 108 108 VAL C C 178.125 0.000 1 1239 108 108 VAL CA C 66.543 0.028 1 1240 108 108 VAL CB C 31.770 0.037 1 1241 108 108 VAL CG1 C 20.903 0.013 2 1242 108 108 VAL CG2 C 23.479 0.013 2 1243 108 108 VAL N N 118.830 0.003 1 1244 109 109 MET H H 8.152 0.003 1 1245 109 109 MET HA H 4.125 0.006 1 1246 109 109 MET HB2 H 2.162 0.001 2 1247 109 109 MET HB3 H 1.904 0.001 2 1248 109 109 MET HG2 H 2.698 0.000 2 1249 109 109 MET HG3 H 2.725 0.000 2 1250 109 109 MET HE H 2.025 0.000 . 1251 109 109 MET C C 178.833 0.000 1 1252 109 109 MET CA C 58.822 0.028 1 1253 109 109 MET CB C 31.901 0.066 1 1254 109 109 MET CG C 33.460 0.013 1 1255 109 109 MET CE C 17.774 0.004 1 1256 109 109 MET N N 116.781 0.003 1 1257 110 110 ILE H H 8.223 0.002 1 1258 110 110 ILE HA H 3.949 0.003 1 1259 110 110 ILE HB H 1.857 0.003 1 1260 110 110 ILE HG12 H 1.244 0.000 2 1261 110 110 ILE HG13 H 1.621 0.001 2 1262 110 110 ILE HG2 H 0.822 0.001 . 1263 110 110 ILE HD1 H 0.824 0.001 . 1264 110 110 ILE C C 180.408 0.000 1 1265 110 110 ILE CA C 64.202 0.018 1 1266 110 110 ILE CB C 37.355 0.032 1 1267 110 110 ILE CG1 C 29.019 0.018 1 1268 110 110 ILE CG2 C 17.079 0.022 1 1269 110 110 ILE CD1 C 12.976 0.012 1 1270 110 110 ILE N N 118.497 0.011 1 1271 111 111 ASN H H 7.769 0.002 1 1272 111 111 ASN HA H 4.359 0.001 1 1273 111 111 ASN HB2 H 2.559 0.003 2 1274 111 111 ASN HB3 H 2.622 0.001 2 1275 111 111 ASN HD21 H 6.155 0.000 2 1276 111 111 ASN HD22 H 7.196 0.000 2 1277 111 111 ASN C C 176.873 0.000 1 1278 111 111 ASN CA C 56.075 0.014 1 1279 111 111 ASN CB C 38.599 0.010 1 1280 111 111 ASN N N 120.946 0.004 1 1281 111 111 ASN ND2 N 112.956 0.001 1 1282 112 112 LEU H H 7.943 0.003 1 1283 112 112 LEU HA H 4.292 0.003 1 1284 112 112 LEU HB2 H 1.918 0.003 2 1285 112 112 LEU HB3 H 1.680 0.001 2 1286 112 112 LEU HG H 1.801 0.002 1 1287 112 112 LEU HD1 H 0.825 0.001 . 1288 112 112 LEU HD2 H 0.826 0.001 . 1289 112 112 LEU C C 177.832 0.000 1 1290 112 112 LEU CA C 55.546 0.023 1 1291 112 112 LEU CB C 42.447 0.016 1 1292 112 112 LEU CG C 26.350 0.080 1 1293 112 112 LEU CD1 C 25.702 0.036 2 1294 112 112 LEU CD2 C 22.389 0.012 2 1295 112 112 LEU N N 118.974 0.006 1 1296 113 113 GLY H H 7.881 0.003 1 1297 113 113 GLY HA2 H 3.736 0.079 . 1298 113 113 GLY HA3 H 4.162 0.001 2 1299 113 113 GLY C C 174.694 0.000 1 1300 113 113 GLY CA C 45.458 0.025 1 1301 113 113 GLY N N 107.290 0.003 1 1302 114 114 GLU H H 7.872 0.005 1 1303 114 114 GLU HA H 4.314 0.003 1 1304 114 114 GLU HB2 H 1.735 0.002 2 1305 114 114 GLU HB3 H 1.969 0.000 2 1306 114 114 GLU HG2 H 2.117 0.000 2 1307 114 114 GLU HG3 H 2.260 0.000 2 1308 114 114 GLU C C 176.088 0.000 1 1309 114 114 GLU CA C 55.651 0.011 1 1310 114 114 GLU CB C 30.473 0.004 1 1311 114 114 GLU CG C 35.692 0.000 1 1312 114 114 GLU N N 119.707 0.042 1 1313 115 115 LYS H H 8.629 0.002 1 1314 115 115 LYS HA H 4.367 0.004 1 1315 115 115 LYS HB2 H 1.713 0.000 2 1316 115 115 LYS HB3 H 1.767 0.000 2 1317 115 115 LYS HG2 H 1.326 0.000 2 1318 115 115 LYS HG3 H 1.417 0.000 2 1319 115 115 LYS HD2 H 1.641 0.000 . 1320 115 115 LYS HD3 H 1.641 0.000 . 1321 115 115 LYS HE2 H 2.966 0.000 . 1322 115 115 LYS HE3 H 2.966 0.000 . 1323 115 115 LYS C C 175.693 0.000 1 1324 115 115 LYS CA C 55.609 0.020 1 1325 115 115 LYS CB C 31.522 0.021 1 1326 115 115 LYS CG C 24.613 0.017 1 1327 115 115 LYS CD C 29.005 0.065 1 1328 115 115 LYS CE C 42.185 0.045 1 1329 115 115 LYS N N 123.868 0.002 1 1330 116 116 VAL H H 7.675 0.002 1 1331 116 116 VAL HA H 4.639 0.003 1 1332 116 116 VAL HB H 2.018 0.000 1 1333 116 116 VAL HG1 H 0.883 0.001 . 1334 116 116 VAL HG2 H 0.885 0.001 . 1335 116 116 VAL C C 175.644 0.000 1 1336 116 116 VAL CA C 60.082 0.023 1 1337 116 116 VAL CB C 34.649 0.016 1 1338 116 116 VAL CG1 C 20.234 0.026 2 1339 116 116 VAL CG2 C 21.764 0.011 2 1340 116 116 VAL N N 119.622 0.008 1 1341 117 117 THR H H 8.611 0.002 1 1342 117 117 THR HA H 4.578 0.003 1 1343 117 117 THR HB H 4.708 0.003 1 1344 117 117 THR HG2 H 1.284 0.001 . 1345 117 117 THR C C 175.455 0.000 1 1346 117 117 THR CA C 60.302 0.048 1 1347 117 117 THR CB C 71.728 0.039 1 1348 117 117 THR CG2 C 21.649 0.122 1 1349 117 117 THR N N 115.954 0.004 1 1350 118 118 ASP H H 8.888 0.001 1 1351 118 118 ASP HA H 4.264 0.003 1 1352 118 118 ASP HB2 H 2.552 0.000 2 1353 118 118 ASP HB3 H 2.735 0.000 2 1354 118 118 ASP C C 178.555 0.000 1 1355 118 118 ASP CA C 58.009 0.022 1 1356 118 118 ASP CB C 39.950 0.012 1 1357 118 118 ASP N N 121.264 0.005 1 1358 119 119 GLU H H 8.779 0.002 1 1359 119 119 GLU HA H 4.091 0.003 1 1360 119 119 GLU HB2 H 2.048 0.000 2 1361 119 119 GLU HB3 H 1.951 0.001 2 1362 119 119 GLU HG2 H 2.311 0.000 2 1363 119 119 GLU HG3 H 2.416 0.000 2 1364 119 119 GLU C C 179.323 0.000 1 1365 119 119 GLU CA C 60.156 0.019 1 1366 119 119 GLU CB C 28.969 0.045 1 1367 119 119 GLU CG C 37.026 0.008 1 1368 119 119 GLU N N 119.229 0.004 1 1369 120 120 GLU H H 7.727 0.002 1 1370 120 120 GLU HA H 4.003 0.003 1 1371 120 120 GLU HB2 H 1.919 0.000 2 1372 120 120 GLU HB3 H 2.354 0.004 2 1373 120 120 GLU HG2 H 2.272 0.000 . 1374 120 120 GLU HG3 H 2.272 0.000 . 1375 120 120 GLU C C 179.876 0.000 1 1376 120 120 GLU CA C 59.236 0.048 1 1377 120 120 GLU CB C 30.007 0.036 1 1378 120 120 GLU CG C 37.763 0.000 1 1379 120 120 GLU N N 120.564 0.001 1 1380 121 121 ILE H H 7.959 0.002 1 1381 121 121 ILE HA H 3.807 0.003 1 1382 121 121 ILE HB H 2.252 0.000 1 1383 121 121 ILE HG12 H 1.434 0.000 2 1384 121 121 ILE HG13 H 1.486 0.000 2 1385 121 121 ILE HG2 H 0.970 0.001 . 1386 121 121 ILE HD1 H 0.769 0.001 . 1387 121 121 ILE C C 177.367 0.000 1 1388 121 121 ILE CA C 63.415 0.024 1 1389 121 121 ILE CB C 36.167 0.035 1 1390 121 121 ILE CG1 C 28.029 0.000 1 1391 121 121 ILE CG2 C 17.503 0.014 1 1392 121 121 ILE CD1 C 11.288 0.036 1 1393 121 121 ILE N N 121.687 0.002 1 1394 122 122 ASP H H 8.049 0.002 1 1395 122 122 ASP HA H 4.326 0.002 1 1396 122 122 ASP HB2 H 2.634 0.000 2 1397 122 122 ASP HB3 H 2.775 0.000 2 1398 122 122 ASP C C 179.305 0.000 1 1399 122 122 ASP CA C 57.718 0.018 1 1400 122 122 ASP CB C 40.446 0.010 1 1401 122 122 ASP N N 119.271 0.004 1 1402 123 123 GLU H H 7.860 0.002 1 1403 123 123 GLU HA H 4.050 0.008 1 1404 123 123 GLU HB2 H 2.082 0.003 . 1405 123 123 GLU HB3 H 2.082 0.003 . 1406 123 123 GLU HG2 H 2.298 0.000 2 1407 123 123 GLU HG3 H 2.346 0.000 2 1408 123 123 GLU C C 178.035 0.000 1 1409 123 123 GLU CA C 59.178 0.055 1 1410 123 123 GLU CB C 29.543 0.029 1 1411 123 123 GLU CG C 36.080 0.000 1 1412 123 123 GLU N N 119.536 0.017 1 1413 124 124 MET H H 8.040 0.003 1 1414 124 124 MET HA H 4.100 0.003 1 1415 124 124 MET HB2 H 2.099 0.003 2 1416 124 124 MET HB3 H 2.335 0.000 2 1417 124 124 MET HG2 H 2.652 0.000 2 1418 124 124 MET HG3 H 2.755 0.000 2 1419 124 124 MET HE H 2.069 0.001 . 1420 124 124 MET C C 179.183 0.000 1 1421 124 124 MET CA C 59.350 0.057 1 1422 124 124 MET CB C 33.565 0.059 1 1423 124 124 MET CG C 32.183 0.037 1 1424 124 124 MET CE C 16.897 0.006 1 1425 124 124 MET N N 119.924 0.003 1 1426 125 125 ILE H H 7.999 0.002 1 1427 125 125 ILE HA H 3.546 0.003 1 1428 125 125 ILE HB H 2.023 0.002 1 1429 125 125 ILE HG12 H 1.118 0.001 2 1430 125 125 ILE HG13 H 1.684 0.001 2 1431 125 125 ILE HG2 H 0.699 0.001 . 1432 125 125 ILE HD1 H 0.773 0.002 . 1433 125 125 ILE C C 176.835 0.000 1 1434 125 125 ILE CA C 64.396 0.019 1 1435 125 125 ILE CB C 37.051 0.029 1 1436 125 125 ILE CG1 C 28.658 0.019 1 1437 125 125 ILE CG2 C 15.965 0.017 1 1438 125 125 ILE CD1 C 12.530 0.013 1 1439 125 125 ILE N N 118.003 0.006 1 1440 126 126 ARG H H 8.075 0.004 1 1441 126 126 ARG HA H 3.916 0.003 1 1442 126 126 ARG HB2 H 1.841 0.000 2 1443 126 126 ARG HB3 H 1.914 0.001 2 1444 126 126 ARG HG2 H 1.595 0.000 2 1445 126 126 ARG HG3 H 1.738 0.001 2 1446 126 126 ARG HD2 H 3.200 0.001 . 1447 126 126 ARG HD3 H 3.200 0.001 . 1448 126 126 ARG C C 179.508 0.000 1 1449 126 126 ARG CA C 59.738 0.017 1 1450 126 126 ARG CB C 30.195 0.023 1 1451 126 126 ARG CG C 27.728 0.006 1 1452 126 126 ARG CD C 43.356 0.000 1 1453 126 126 ARG N N 117.603 0.009 1 1454 127 127 GLU H H 7.869 0.002 1 1455 127 127 GLU HA H 3.900 0.004 1 1456 127 127 GLU HB2 H 2.134 0.002 . 1457 127 127 GLU HB3 H 2.134 0.002 . 1458 127 127 GLU HG2 H 2.379 0.000 2 1459 127 127 GLU HG3 H 2.499 0.000 2 1460 127 127 GLU C C 176.573 0.000 1 1461 127 127 GLU CA C 58.697 0.023 1 1462 127 127 GLU CB C 30.072 0.029 1 1463 127 127 GLU CG C 36.643 0.000 1 1464 127 127 GLU N N 115.798 0.003 1 1465 128 128 ALA H H 7.130 0.003 1 1466 128 128 ALA HA H 4.149 0.003 1 1467 128 128 ALA HB H 1.503 0.002 . 1468 128 128 ALA C C 175.809 0.000 1 1469 128 128 ALA CA C 51.753 0.024 1 1470 128 128 ALA CB C 20.722 0.009 1 1471 128 128 ALA N N 118.030 0.005 1 1472 129 129 ASP H H 7.473 0.002 1 1473 129 129 ASP HA H 4.540 0.004 1 1474 129 129 ASP HB2 H 2.421 0.000 2 1475 129 129 ASP HB3 H 2.693 0.000 2 1476 129 129 ASP C C 177.575 0.000 1 1477 129 129 ASP CA C 53.008 0.016 1 1478 129 129 ASP CB C 39.546 0.010 1 1479 129 129 ASP N N 115.354 0.002 1 1480 130 130 PHE H H 8.217 0.003 1 1481 130 130 PHE HA H 4.316 0.003 1 1482 130 130 PHE HB2 H 3.022 0.000 2 1483 130 130 PHE HB3 H 3.170 0.000 2 1484 130 130 PHE HD1 H 7.082 0.000 . 1485 130 130 PHE HD2 H 7.082 0.000 . 1486 130 130 PHE HE1 H 6.807 0.006 . 1487 130 130 PHE HE2 H 6.807 0.006 . 1488 130 130 PHE HZ H 6.069 0.000 1 1489 130 130 PHE C C 177.920 0.000 1 1490 130 130 PHE CA C 59.551 0.022 1 1491 130 130 PHE CB C 38.967 0.015 1 1492 130 130 PHE CD1 C 131.048 0.000 . 1493 130 130 PHE CD2 C 131.048 0.000 . 1494 130 130 PHE CE1 C 131.285 0.000 . 1495 130 130 PHE CE2 C 131.285 0.000 . 1496 130 130 PHE CZ C 129.565 0.000 1 1497 130 130 PHE N N 126.603 0.004 1 1498 131 131 ASP H H 8.202 0.003 1 1499 131 131 ASP HA H 4.621 0.002 1 1500 131 131 ASP HB2 H 3.080 0.000 2 1501 131 131 ASP HB3 H 2.652 0.000 2 1502 131 131 ASP C C 178.374 0.000 1 1503 131 131 ASP CA C 53.360 0.016 1 1504 131 131 ASP CB C 39.831 0.008 1 1505 131 131 ASP N N 114.915 0.010 1 1506 132 132 GLY H H 7.515 0.002 1 1507 132 132 GLY HA2 H 3.783 0.005 . 1508 132 132 GLY HA3 H 3.880 0.001 2 1509 132 132 GLY C C 175.196 0.000 1 1510 132 132 GLY CA C 47.549 0.008 1 1511 132 132 GLY N N 108.567 0.004 1 1512 133 133 ASP H H 8.281 0.003 1 1513 133 133 ASP HA H 4.429 0.008 1 1514 133 133 ASP HB2 H 2.857 0.000 2 1515 133 133 ASP HB3 H 2.393 0.000 2 1516 133 133 ASP C C 177.403 0.000 1 1517 133 133 ASP CA C 53.650 0.028 1 1518 133 133 ASP CB C 40.129 0.042 1 1519 133 133 ASP N N 120.774 0.002 1 1520 134 134 GLY H H 10.541 0.003 1 1521 134 134 GLY HA2 H 3.335 0.002 . 1522 134 134 GLY HA3 H 3.948 0.008 2 1523 134 134 GLY C C 173.004 0.000 1 1524 134 134 GLY CA C 45.639 0.034 1 1525 134 134 GLY N N 113.705 0.002 1 1526 135 135 MET H H 7.942 0.003 1 1527 135 135 MET HA H 4.884 0.004 1 1528 135 135 MET HB2 H 1.803 0.000 2 1529 135 135 MET HB3 H 1.673 0.002 2 1530 135 135 MET HG2 H 2.135 0.000 . 1531 135 135 MET HG3 H 2.135 0.000 . 1532 135 135 MET HE H 1.742 0.001 . 1533 135 135 MET C C 174.962 0.000 1 1534 135 135 MET CA C 52.453 0.019 1 1535 135 135 MET CB C 37.342 0.023 1 1536 135 135 MET CG C 32.275 0.011 1 1537 135 135 MET CE C 18.125 0.002 1 1538 135 135 MET N N 115.725 0.003 1 1539 136 136 ILE H H 9.071 0.003 1 1540 136 136 ILE HA H 5.393 0.005 1 1541 136 136 ILE HB H 2.335 0.002 1 1542 136 136 ILE HG12 H 1.358 0.000 2 1543 136 136 ILE HG13 H 1.324 0.001 2 1544 136 136 ILE HG2 H 1.283 0.002 . 1545 136 136 ILE HD1 H 0.802 0.002 . 1546 136 136 ILE C C 176.276 0.000 1 1547 136 136 ILE CA C 58.400 0.033 1 1548 136 136 ILE CB C 38.126 0.058 1 1549 136 136 ILE CG1 C 26.857 0.007 1 1550 136 136 ILE CG2 C 17.866 0.015 1 1551 136 136 ILE CD1 C 11.452 0.011 1 1552 136 136 ILE N N 125.051 0.004 1 1553 137 137 ASN H H 9.414 0.005 1 1554 137 137 ASN HA H 5.196 0.005 1 1555 137 137 ASN HB2 H 3.331 0.000 . 1556 137 137 ASN HB3 H 3.331 0.000 . 1557 137 137 ASN HD21 H 6.722 0.000 2 1558 137 137 ASN HD22 H 7.226 0.000 2 1559 137 137 ASN C C 175.064 0.000 1 1560 137 137 ASN CA C 51.159 0.016 1 1561 137 137 ASN CB C 38.078 0.006 1 1562 137 137 ASN N N 129.189 0.004 1 1563 137 137 ASN ND2 N 107.848 0.003 1 1564 138 138 TYR H H 8.390 0.003 1 1565 138 138 TYR HA H 3.545 0.002 1 1566 138 138 TYR HB2 H 2.013 0.000 2 1567 138 138 TYR HB3 H 2.360 0.000 2 1568 138 138 TYR HD1 H 6.431 0.000 . 1569 138 138 TYR HD2 H 6.431 0.000 . 1570 138 138 TYR HE1 H 6.518 0.002 . 1571 138 138 TYR HE2 H 6.518 0.002 . 1572 138 138 TYR C C 175.886 0.000 1 1573 138 138 TYR CA C 62.914 0.019 1 1574 138 138 TYR CB C 37.770 0.016 1 1575 138 138 TYR CD1 C 132.513 0.000 . 1576 138 138 TYR CD2 C 132.513 0.000 . 1577 138 138 TYR CE1 C 117.990 0.000 . 1578 138 138 TYR CE2 C 117.990 0.000 . 1579 138 138 TYR N N 118.003 0.005 1 1580 139 139 GLU H H 8.021 0.003 1 1581 139 139 GLU HA H 3.664 0.002 1 1582 139 139 GLU HB2 H 1.984 0.000 2 1583 139 139 GLU HB3 H 2.121 0.000 2 1584 139 139 GLU HG2 H 2.314 0.000 2 1585 139 139 GLU HG3 H 2.394 0.000 2 1586 139 139 GLU C C 180.497 0.000 1 1587 139 139 GLU CA C 60.546 0.020 1 1588 139 139 GLU CB C 29.117 0.123 1 1589 139 139 GLU CG C 37.496 0.006 1 1590 139 139 GLU N N 118.063 0.005 1 1591 140 140 GLU H H 8.623 0.002 1 1592 140 140 GLU HA H 4.115 0.004 1 1593 140 140 GLU HB2 H 2.471 0.001 2 1594 140 140 GLU HB3 H 2.285 0.006 2 1595 140 140 GLU HG2 H 2.464 0.000 2 1596 140 140 GLU HG3 H 2.754 0.000 2 1597 140 140 GLU C C 178.354 0.000 1 1598 140 140 GLU CA C 58.765 0.027 1 1599 140 140 GLU CB C 29.768 0.070 1 1600 140 140 GLU CG C 37.154 0.069 1 1601 140 140 GLU N N 121.485 0.003 1 1602 141 141 PHE H H 8.925 0.002 1 1603 141 141 PHE HA H 4.061 0.004 1 1604 141 141 PHE HB2 H 3.230 0.003 2 1605 141 141 PHE HB3 H 3.562 0.002 2 1606 141 141 PHE HD1 H 6.914 0.005 . 1607 141 141 PHE HD2 H 6.914 0.005 . 1608 141 141 PHE HE1 H 6.957 0.044 . 1609 141 141 PHE HE2 H 6.957 0.044 . 1610 141 141 PHE HZ H 7.333 0.000 1 1611 141 141 PHE C C 176.250 0.000 1 1612 141 141 PHE CA C 61.396 0.067 1 1613 141 141 PHE CB C 39.500 0.050 1 1614 141 141 PHE CD1 C 132.187 0.000 . 1615 141 141 PHE CD2 C 132.187 0.000 . 1616 141 141 PHE CE1 C 129.612 0.000 . 1617 141 141 PHE CE2 C 129.612 0.000 . 1618 141 141 PHE CZ C 129.713 0.000 1 1619 141 141 PHE N N 123.197 0.001 1 1620 142 142 VAL H H 8.386 0.003 1 1621 142 142 VAL HA H 3.211 0.002 1 1622 142 142 VAL HB H 1.867 0.001 1 1623 142 142 VAL HG1 H 0.763 0.001 . 1624 142 142 VAL HG2 H 0.579 0.001 . 1625 142 142 VAL C C 179.453 0.000 1 1626 142 142 VAL CA C 66.517 0.041 1 1627 142 142 VAL CB C 31.614 0.025 1 1628 142 142 VAL CG1 C 21.151 0.012 2 1629 142 142 VAL CG2 C 22.555 0.022 2 1630 142 142 VAL N N 119.037 0.004 1 1631 143 143 TRP H H 7.634 0.002 1 1632 143 143 TRP HA H 4.036 0.003 1 1633 143 143 TRP HB2 H 3.335 0.000 2 1634 143 143 TRP HB3 H 3.712 0.003 2 1635 143 143 TRP HD1 H 7.257 0.000 1 1636 143 143 TRP HE1 H 10.101 0.000 1 1637 143 143 TRP HE3 H 7.482 0.000 1 1638 143 143 TRP HZ2 H 7.450 0.000 1 1639 143 143 TRP HZ3 H 7.007 0.000 1 1640 143 143 TRP HH2 H 7.133 0.000 1 1641 143 143 TRP C C 178.558 0.000 1 1642 143 143 TRP CA C 61.991 0.024 1 1643 143 143 TRP CB C 28.637 0.010 1 1644 143 143 TRP CD1 C 127.082 0.000 1 1645 143 143 TRP CE3 C 120.170 0.000 1 1646 143 143 TRP CZ2 C 114.641 0.000 1 1647 143 143 TRP CZ3 C 121.805 0.000 1 1648 143 143 TRP CH2 C 124.628 0.000 1 1649 143 143 TRP N N 120.780 0.006 1 1650 143 143 TRP NE1 N 129.222 0.000 1 1651 144 144 MET H H 8.695 0.002 1 1652 144 144 MET HA H 3.705 0.001 1 1653 144 144 MET HB2 H 2.268 0.002 . 1654 144 144 MET HB3 H 2.268 0.002 . 1655 144 144 MET HG2 H 2.277 0.001 2 1656 144 144 MET HG3 H 2.626 0.000 2 1657 144 144 MET HE H 1.909 0.001 . 1658 144 144 MET C C 179.016 0.000 1 1659 144 144 MET CA C 59.599 0.032 1 1660 144 144 MET CB C 34.068 0.061 1 1661 144 144 MET CG C 31.528 0.005 1 1662 144 144 MET CE C 16.951 0.005 1 1663 144 144 MET N N 120.703 0.003 1 1664 145 145 ILE H H 8.217 0.002 1 1665 145 145 ILE HA H 3.846 0.002 1 1666 145 145 ILE HB H 1.531 0.002 1 1667 145 145 ILE HG12 H 0.838 0.001 2 1668 145 145 ILE HG13 H 0.786 0.000 2 1669 145 145 ILE HG2 H 0.475 0.001 . 1670 145 145 ILE HD1 H 0.459 0.001 . 1671 145 145 ILE C C 177.629 0.000 1 1672 145 145 ILE CA C 61.751 0.019 1 1673 145 145 ILE CB C 37.276 0.025 1 1674 145 145 ILE CG1 C 26.754 0.000 1 1675 145 145 ILE CG2 C 18.027 0.012 1 1676 145 145 ILE CD1 C 12.355 0.010 1 1677 145 145 ILE N N 115.175 0.015 1 1678 146 146 SER H H 7.529 0.002 1 1679 146 146 SER HA H 4.290 0.002 1 1680 146 146 SER HB2 H 3.798 0.003 . 1681 146 146 SER HB3 H 3.798 0.003 . 1682 146 146 SER C C 174.268 0.000 1 1683 146 146 SER CA C 59.686 0.013 1 1684 146 146 SER CB C 63.699 0.027 1 1685 146 146 SER N N 116.098 0.005 1 1686 147 147 GLN H H 7.335 0.003 1 1687 147 147 GLN HA H 3.964 0.002 1 1688 147 147 GLN HB2 H 1.905 0.001 2 1689 147 147 GLN HB3 H 1.626 0.000 2 1690 147 147 GLN HG2 H 1.585 0.000 2 1691 147 147 GLN HG3 H 1.797 0.000 2 1692 147 147 GLN HE21 H 6.695 0.000 2 1693 147 147 GLN HE22 H 6.262 0.000 2 1694 147 147 GLN C C 175.127 0.000 1 1695 147 147 GLN CA C 55.357 0.016 1 1696 147 147 GLN CB C 28.662 0.002 1 1697 147 147 GLN CG C 32.747 0.000 1 1698 147 147 GLN N N 119.677 0.004 1 1699 147 147 GLN NE2 N 113.548 0.000 1 1700 148 148 LYS H H 7.410 0.002 1 1701 148 148 LYS HA H 3.993 0.001 1 1702 148 148 LYS HB2 H 1.573 0.000 2 1703 148 148 LYS HB3 H 1.721 0.000 2 1704 148 148 LYS HG2 H 1.281 0.001 . 1705 148 148 LYS HG3 H 1.281 0.001 . 1706 148 148 LYS HD2 H 1.526 0.000 . 1707 148 148 LYS HD3 H 1.526 0.000 . 1708 148 148 LYS HE2 H 2.803 0.000 . 1709 148 148 LYS HE3 H 2.803 0.000 . 1710 148 148 LYS C C 181.291 0.000 1 1711 148 148 LYS CA C 57.625 0.029 1 1712 148 148 LYS CB C 33.314 0.006 1 1713 148 148 LYS CG C 24.559 0.011 1 1714 148 148 LYS CD C 28.884 0.027 1 1715 148 148 LYS CE C 42.051 0.000 1 1716 148 148 LYS N N 126.334 0.017 1 stop_ save_