data_18290 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of syc0711_d from Synechococcus sp., Northeast Structural Genomics Consortium (NESG) Target SnR212 ; _BMRB_accession_number 18290 _BMRB_flat_file_name bmr18290.str _Entry_type original _Submission_date 2012-02-23 _Accession_date 2012-02-23 _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 Mills Jeffrey L. . 2 Sathymoorthy Bharathwaj . . 3 Pulavarti Suryaven . . 4 Janjua Haleema . . 5 Kohan Eitan . . 6 Wang Dongyan . . 7 Acton Thomas B. . 8 Xiao Rong . . 9 Everett John K. . 10 Montelione Gaetano T. . 11 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 601 "13C chemical shifts" 445 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-22 original author . stop_ _Original_release_date 2012-03-22 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of syc0711_d from Synechococcus sp., Northeast Structural Genomics Consortium (NESG) Target SnR212' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mills Jeffrey L. . 2 Sathymoorthy Bharathwaj . . 3 Pulavarti Suryaven . . 4 Janjua Haleema . . 5 Kohan Eitan . . 6 Wang Dongyan . . 7 Acton Thomas B. . 8 Xiao Rong . . 9 Everett John K. . 10 Montelione Gaetano T. . 11 Szyperski Thomas . . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SnR212 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SnR212 $SnR212 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_SnR212 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SnR212 _Molecular_mass 14659.635 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; MGQGQNVLGQDLEVCCCAPM TGWYRNGFCQTDVQDRGSHT VCAEMTEEFLLFSRDRGNDL MTPRPEFNFPGLKAGDRWCL CASRWQEAFEAGMAPPVVLQ STEKSALRYVSLADLQAHAL PVLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 GLN 4 GLY 5 GLN 6 ASN 7 VAL 8 LEU 9 GLY 10 GLN 11 ASP 12 LEU 13 GLU 14 VAL 15 CYS 16 CYS 17 CYS 18 ALA 19 PRO 20 MET 21 THR 22 GLY 23 TRP 24 TYR 25 ARG 26 ASN 27 GLY 28 PHE 29 CYS 30 GLN 31 THR 32 ASP 33 VAL 34 GLN 35 ASP 36 ARG 37 GLY 38 SER 39 HIS 40 THR 41 VAL 42 CYS 43 ALA 44 GLU 45 MET 46 THR 47 GLU 48 GLU 49 PHE 50 LEU 51 LEU 52 PHE 53 SER 54 ARG 55 ASP 56 ARG 57 GLY 58 ASN 59 ASP 60 LEU 61 MET 62 THR 63 PRO 64 ARG 65 PRO 66 GLU 67 PHE 68 ASN 69 PHE 70 PRO 71 GLY 72 LEU 73 LYS 74 ALA 75 GLY 76 ASP 77 ARG 78 TRP 79 CYS 80 LEU 81 CYS 82 ALA 83 SER 84 ARG 85 TRP 86 GLN 87 GLU 88 ALA 89 PHE 90 GLU 91 ALA 92 GLY 93 MET 94 ALA 95 PRO 96 PRO 97 VAL 98 VAL 99 LEU 100 GLN 101 SER 102 THR 103 GLU 104 LYS 105 SER 106 ALA 107 LEU 108 ARG 109 TYR 110 VAL 111 SER 112 LEU 113 ALA 114 ASP 115 LEU 116 GLN 117 ALA 118 HIS 119 ALA 120 LEU 121 PRO 122 VAL 123 LEU 124 GLU 125 HIS 126 HIS 127 HIS 128 HIS 129 HIS 130 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2LQ3 "Solution Nmr Structure Of Syc0711_d From Synechococcus Sp., Northeast Structural Genomics Consortium (Nesg) Target Snr212" 100.00 130 100.00 100.00 4.45e-92 DBJ BAD78901 "hypothetical protein [Synechococcus elongatus PCC 6301]" 93.85 122 100.00 100.00 2.48e-85 GB ABB56860 "conserved hypothetical protein [Synechococcus elongatus PCC 7942]" 93.85 122 100.00 100.00 2.48e-85 GB AJD58612 "hypothetical protein M744_12610 [Synechococcus sp. UTEX 2973]" 93.85 122 100.00 100.00 2.48e-85 REF WP_011243023 "MULTISPECIES: hypothetical protein [Synechococcus]" 93.85 122 100.00 100.00 2.48e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SnR212 'Synechococcus sp.' 1131 Bacteria . Synechococcus sp. 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 $SnR212 'recombinant technology' . Escherichia coli . pET21_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sampleNC _Saveframe_category sample _Sample_type solution _Details '0.89 mM SnR212.015, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SnR212 0.89 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sampleNC5 _Saveframe_category sample _Sample_type solution _Details '0.67 mM SnR212.015, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SnR212 0.67 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' 'MES pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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 $sampleNC save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sampleNC save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sampleNC save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sampleNC save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sampleNC save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sampleNC save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sampleNC5 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sampleNC save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sampleNC save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sampleNC save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sampleNC save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sampleNC save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' stop_ loop_ _Sample_label $sampleNC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SnR212 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY HA2 H 3.860 0.020 2 2 2 2 GLY HA3 H 3.758 0.020 2 3 2 2 GLY CA C 43.466 0.300 1 4 3 3 GLN HA H 4.196 0.020 1 5 3 3 GLN HB2 H 1.613 0.020 2 6 3 3 GLN HB3 H 1.797 0.020 2 7 3 3 GLN HG2 H 1.826 0.020 1 8 3 3 GLN HG3 H 1.826 0.020 1 9 3 3 GLN HE21 H 7.109 0.020 2 10 3 3 GLN HE22 H 6.548 0.020 2 11 3 3 GLN C C 175.145 0.300 1 12 3 3 GLN CA C 56.208 0.300 1 13 3 3 GLN CB C 29.366 0.300 1 14 3 3 GLN CG C 33.127 0.300 1 15 3 3 GLN NE2 N 111.067 0.300 1 16 4 4 GLY H H 8.056 0.020 1 17 4 4 GLY HA2 H 4.282 0.020 2 18 4 4 GLY HA3 H 3.958 0.020 2 19 4 4 GLY C C 173.504 0.300 1 20 4 4 GLY CA C 44.362 0.300 1 21 4 4 GLY N N 106.493 0.300 1 22 5 5 GLN H H 9.429 0.020 1 23 5 5 GLN HA H 5.100 0.020 1 24 5 5 GLN HB2 H 1.993 0.020 2 25 5 5 GLN HB3 H 1.900 0.020 2 26 5 5 GLN HG2 H 2.334 0.020 2 27 5 5 GLN HG3 H 2.262 0.020 2 28 5 5 GLN HE21 H 7.336 0.020 2 29 5 5 GLN HE22 H 6.781 0.020 2 30 5 5 GLN C C 175.848 0.300 1 31 5 5 GLN CA C 54.368 0.300 1 32 5 5 GLN CB C 33.220 0.300 1 33 5 5 GLN CG C 34.360 0.300 1 34 5 5 GLN N N 121.588 0.300 1 35 5 5 GLN NE2 N 111.872 0.300 1 36 6 6 ASN H H 9.180 0.020 1 37 6 6 ASN HA H 5.522 0.020 1 38 6 6 ASN HB2 H 3.669 0.020 2 39 6 6 ASN HB3 H 2.502 0.020 2 40 6 6 ASN C C 178.544 0.300 1 41 6 6 ASN CA C 50.930 0.300 1 42 6 6 ASN CB C 41.033 0.300 1 43 6 6 ASN N N 119.015 0.300 1 44 7 7 VAL H H 7.362 0.020 1 45 7 7 VAL HA H 3.863 0.020 1 46 7 7 VAL HB H 2.381 0.020 1 47 7 7 VAL HG1 H 0.853 0.020 1 48 7 7 VAL HG2 H 0.787 0.020 1 49 7 7 VAL C C 174.441 0.300 1 50 7 7 VAL CA C 63.628 0.300 1 51 7 7 VAL CB C 31.710 0.300 1 52 7 7 VAL CG1 C 23.840 0.300 1 53 7 7 VAL CG2 C 18.148 0.300 1 54 7 7 VAL N N 108.144 0.300 1 55 8 8 LEU H H 7.740 0.020 1 56 8 8 LEU HA H 4.437 0.020 1 57 8 8 LEU HB2 H 1.638 0.020 2 58 8 8 LEU HB3 H 1.748 0.020 2 59 8 8 LEU HG H 1.250 0.020 1 60 8 8 LEU HD1 H 0.832 0.020 1 61 8 8 LEU HD2 H 0.783 0.020 1 62 8 8 LEU C C 177.606 0.300 1 63 8 8 LEU CA C 53.743 0.300 1 64 8 8 LEU CB C 40.877 0.300 1 65 8 8 LEU CG C 26.906 0.300 1 66 8 8 LEU CD1 C 25.032 0.300 1 67 8 8 LEU CD2 C 21.855 0.300 1 68 8 8 LEU N N 116.905 0.300 1 69 9 9 GLY H H 8.184 0.020 1 70 9 9 GLY HA2 H 4.174 0.020 2 71 9 9 GLY HA3 H 3.710 0.020 2 72 9 9 GLY C C 173.972 0.300 1 73 9 9 GLY CA C 45.305 0.300 1 74 9 9 GLY N N 107.294 0.300 1 75 10 10 GLN H H 7.403 0.020 1 76 10 10 GLN HA H 4.688 0.020 1 77 10 10 GLN HB2 H 2.353 0.020 2 78 10 10 GLN HB3 H 1.932 0.020 2 79 10 10 GLN HG2 H 2.315 0.020 2 80 10 10 GLN HG3 H 2.245 0.020 2 81 10 10 GLN C C 174.324 0.300 1 82 10 10 GLN CA C 53.430 0.300 1 83 10 10 GLN CB C 30.980 0.300 1 84 10 10 GLN CG C 33.750 0.300 1 85 10 10 GLN N N 118.436 0.300 1 86 11 11 ASP H H 8.419 0.020 1 87 11 11 ASP HA H 4.512 0.020 1 88 11 11 ASP HB2 H 2.579 0.020 1 89 11 11 ASP HB3 H 2.579 0.020 1 90 11 11 ASP C C 175.731 0.300 1 91 11 11 ASP CA C 55.930 0.300 1 92 11 11 ASP CB C 40.460 0.300 1 93 11 11 ASP N N 119.749 0.300 1 94 12 12 LEU H H 7.777 0.020 1 95 12 12 LEU HA H 3.915 0.020 1 96 12 12 LEU HB2 H 1.733 0.020 2 97 12 12 LEU HB3 H 0.779 0.020 2 98 12 12 LEU HG H 0.890 0.020 1 99 12 12 LEU C C 175.731 0.300 1 100 12 12 LEU CA C 55.930 0.300 1 101 12 12 LEU CB C 43.328 0.300 1 102 12 12 LEU CG C 26.170 0.300 1 103 12 12 LEU N N 122.026 0.300 1 104 13 13 GLU H H 7.964 0.020 1 105 13 13 GLU HA H 4.653 0.020 1 106 13 13 GLU HB2 H 2.020 0.020 1 107 13 13 GLU HB3 H 2.020 0.020 1 108 13 13 GLU HG2 H 2.375 0.020 2 109 13 13 GLU HG3 H 2.275 0.020 2 110 13 13 GLU C C 175.613 0.300 1 111 13 13 GLU CA C 54.993 0.300 1 112 13 13 GLU CB C 30.616 0.300 1 113 13 13 GLU CG C 36.399 0.300 1 114 13 13 GLU N N 126.188 0.300 1 115 14 14 VAL H H 8.477 0.020 1 116 14 14 VAL HA H 2.143 0.020 1 117 14 14 VAL HB H 1.372 0.020 1 118 14 14 VAL HG1 H 0.550 0.020 2 119 14 14 VAL HG2 H 0.297 0.020 2 120 14 14 VAL C C 174.774 0.300 1 121 14 14 VAL CA C 63.014 0.300 1 122 14 14 VAL CB C 32.178 0.300 1 123 14 14 VAL CG1 C 19.399 0.300 1 124 14 14 VAL CG2 C 22.953 0.300 1 125 14 14 VAL N N 122.978 0.300 1 126 15 15 CYS H H 8.563 0.020 1 127 15 15 CYS HA H 5.005 0.020 1 128 15 15 CYS HB2 H 3.506 0.020 2 129 15 15 CYS HB3 H 2.544 0.020 2 130 15 15 CYS C C 174.374 0.300 1 131 15 15 CYS CA C 55.930 0.300 1 132 15 15 CYS CB C 38.612 0.300 1 133 15 15 CYS N N 126.761 0.300 1 134 16 16 CYS H H 8.045 0.020 1 135 16 16 CYS HA H 4.163 0.020 1 136 16 16 CYS HB2 H 1.924 0.020 1 137 16 16 CYS HB3 H 1.924 0.020 1 138 16 16 CYS C C 172.610 0.300 1 139 16 16 CYS CA C 60.931 0.300 1 140 16 16 CYS CB C 30.616 0.300 1 141 16 16 CYS N N 116.879 0.300 1 142 17 17 CYS H H 9.074 0.020 1 143 17 17 CYS HA H 5.342 0.020 1 144 17 17 CYS HB2 H 3.138 0.020 2 145 17 17 CYS HB3 H 2.653 0.020 2 146 17 17 CYS C C 173.152 0.300 1 147 17 17 CYS CA C 58.118 0.300 1 148 17 17 CYS CB C 28.698 0.300 1 149 17 17 CYS N N 124.071 0.300 1 150 18 18 ALA H H 7.826 0.020 1 151 18 18 ALA HA H 4.604 0.020 1 152 18 18 ALA HB H 1.276 0.020 1 153 18 18 ALA C C 172.906 0.300 1 154 18 18 ALA CA C 50.565 0.300 1 155 18 18 ALA CB C 19.001 0.300 1 156 18 18 ALA N N 123.634 0.300 1 157 19 19 PRO HA H 3.904 0.020 1 158 19 19 PRO HB2 H 2.139 0.020 2 159 19 19 PRO HB3 H 1.752 0.020 2 160 19 19 PRO HG2 H 2.031 0.020 2 161 19 19 PRO HG3 H 1.935 0.020 2 162 19 19 PRO HD2 H 3.903 0.020 2 163 19 19 PRO HD3 H 3.451 0.020 2 164 19 19 PRO CA C 62.985 0.300 1 165 19 19 PRO CB C 32.719 0.300 1 166 19 19 PRO CG C 27.421 0.300 1 167 19 19 PRO CD C 50.675 0.300 1 168 20 20 MET H H 8.650 0.020 1 169 20 20 MET HA H 4.154 0.020 1 170 20 20 MET HE H 2.212 0.020 1 171 20 20 MET C C 174.606 0.300 1 172 20 20 MET CA C 51.868 0.300 1 173 20 20 MET CB C 31.554 0.300 1 174 20 20 MET CE C 16.463 0.300 1 175 20 20 MET N N 117.922 0.300 1 176 21 21 THR HA H 4.089 0.020 1 177 21 21 THR HB H 3.821 0.020 1 178 21 21 THR HG2 H 1.157 0.020 1 179 21 21 THR CA C 58.403 0.300 1 180 21 21 THR CB C 70.619 0.300 1 181 21 21 THR CG2 C 19.331 0.300 1 182 22 22 GLY H H 3.908 0.020 1 183 22 22 GLY HA2 H 3.826 0.020 2 184 22 22 GLY HA3 H 2.641 0.020 2 185 22 22 GLY CA C 44.078 0.300 1 186 22 22 GLY N N 103.763 0.300 1 187 23 23 TRP H H 8.308 0.020 1 188 23 23 TRP HE1 H 9.839 0.020 1 189 23 23 TRP HZ2 H 7.212 0.020 1 190 23 23 TRP HH2 H 7.149 0.020 1 191 23 23 TRP CA C 55.962 0.300 1 192 23 23 TRP CB C 30.502 0.300 1 193 23 23 TRP CZ2 C 114.000 0.300 1 194 23 23 TRP CH2 C 124.320 0.300 1 195 23 23 TRP N N 119.761 0.300 1 196 23 23 TRP NE1 N 127.979 0.300 1 197 24 24 TYR H H 9.285 0.020 1 198 24 24 TYR HA H 4.305 0.020 1 199 24 24 TYR HB2 H 2.783 0.020 2 200 24 24 TYR HB3 H 2.612 0.020 2 201 24 24 TYR HD1 H 7.192 0.020 1 202 24 24 TYR HD2 H 7.192 0.020 1 203 24 24 TYR HE1 H 6.837 0.020 1 204 24 24 TYR HE2 H 6.837 0.020 1 205 24 24 TYR CA C 56.868 0.300 1 206 24 24 TYR CD1 C 132.802 0.300 1 207 24 24 TYR CE1 C 118.782 0.300 1 208 24 24 TYR N N 113.135 0.300 1 209 25 25 ARG H H 8.315 0.020 1 210 25 25 ARG HA H 3.515 0.020 1 211 25 25 ARG CA C 55.358 0.300 1 212 25 25 ARG CB C 26.877 0.300 1 213 25 25 ARG N N 115.708 0.300 1 214 26 26 ASN H H 7.408 0.020 1 215 26 26 ASN HA H 5.014 0.020 1 216 26 26 ASN HB2 H 3.465 0.020 2 217 26 26 ASN HB3 H 2.680 0.020 2 218 26 26 ASN HD21 H 7.687 0.020 2 219 26 26 ASN HD22 H 6.970 0.020 2 220 26 26 ASN C C 176.430 0.300 1 221 26 26 ASN CA C 51.439 0.300 1 222 26 26 ASN CB C 39.142 0.300 1 223 26 26 ASN N N 111.526 0.300 1 224 26 26 ASN ND2 N 112.074 0.300 1 225 27 27 GLY H H 8.812 0.020 1 226 27 27 GLY HA2 H 4.182 0.020 2 227 27 27 GLY HA3 H 3.950 0.020 2 228 27 27 GLY C C 174.676 0.300 1 229 27 27 GLY CA C 45.304 0.300 1 230 27 27 GLY N N 108.208 0.300 1 231 28 28 PHE H H 8.076 0.020 1 232 28 28 PHE HA H 4.606 0.020 1 233 28 28 PHE HB2 H 3.184 0.020 2 234 28 28 PHE HB3 H 2.788 0.020 2 235 28 28 PHE HD1 H 6.874 0.020 1 236 28 28 PHE HD2 H 6.874 0.020 1 237 28 28 PHE C C 176.016 0.300 1 238 28 28 PHE CA C 56.868 0.300 1 239 28 28 PHE CB C 42.492 0.300 1 240 28 28 PHE CD1 C 131.304 0.300 1 241 28 28 PHE N N 119.581 0.300 1 242 29 29 CYS H H 10.377 0.020 1 243 29 29 CYS HA H 5.748 0.020 1 244 29 29 CYS HB2 H 3.939 0.020 2 245 29 29 CYS HB3 H 2.711 0.020 2 246 29 29 CYS C C 174.995 0.300 1 247 29 29 CYS CA C 52.180 0.300 1 248 29 29 CYS CB C 32.127 0.300 1 249 29 29 CYS N N 122.939 0.300 1 250 30 30 GLN H H 6.785 0.020 1 251 30 30 GLN HA H 4.301 0.020 1 252 30 30 GLN HB2 H 2.285 0.020 1 253 30 30 GLN HB3 H 2.285 0.020 1 254 30 30 GLN HG2 H 2.548 0.020 2 255 30 30 GLN HG3 H 2.397 0.020 2 256 30 30 GLN C C 176.071 0.300 1 257 30 30 GLN CA C 55.618 0.300 1 258 30 30 GLN CB C 30.824 0.300 1 259 30 30 GLN CG C 34.558 0.300 1 260 30 30 GLN N N 114.538 0.300 1 261 31 31 THR H H 8.930 0.020 1 262 31 31 THR HA H 4.656 0.020 1 263 31 31 THR HB H 3.614 0.020 1 264 31 31 THR HG2 H 0.904 0.020 1 265 31 31 THR C C 171.644 0.300 1 266 31 31 THR CA C 59.993 0.300 1 267 31 31 THR CB C 69.994 0.300 1 268 31 31 THR CG2 C 18.198 0.300 1 269 31 31 THR N N 116.377 0.300 1 270 32 32 ASP H H 8.077 0.020 1 271 32 32 ASP HA H 4.723 0.020 1 272 32 32 ASP HB2 H 3.194 0.020 2 273 32 32 ASP HB3 H 3.081 0.020 2 274 32 32 ASP C C 176.540 0.300 1 275 32 32 ASP CA C 53.430 0.300 1 276 32 32 ASP CB C 44.404 0.300 1 277 32 32 ASP N N 118.964 0.300 1 278 33 33 VAL H H 8.284 0.020 1 279 33 33 VAL HA H 3.880 0.020 1 280 33 33 VAL HB H 2.148 0.020 1 281 33 33 VAL HG1 H 1.001 0.020 1 282 33 33 VAL HG2 H 1.001 0.020 1 283 33 33 VAL C C 177.020 0.300 1 284 33 33 VAL CA C 64.519 0.300 1 285 33 33 VAL CB C 31.753 0.300 1 286 33 33 VAL CG1 C 20.545 0.300 1 287 33 33 VAL N N 118.886 0.300 1 288 34 34 GLN H H 8.667 0.020 1 289 34 34 GLN HA H 4.146 0.020 1 290 34 34 GLN HB2 H 2.438 0.020 1 291 34 34 GLN HB3 H 2.438 0.020 1 292 34 34 GLN HG2 H 2.592 0.020 2 293 34 34 GLN HG3 H 2.453 0.020 2 294 34 34 GLN C C 176.254 0.300 1 295 34 34 GLN CA C 57.034 0.300 1 296 34 34 GLN CB C 28.595 0.300 1 297 34 34 GLN CG C 34.487 0.300 1 298 34 34 GLN N N 117.857 0.300 1 299 35 35 ASP H H 7.252 0.020 1 300 35 35 ASP C C 176.595 0.300 1 301 35 35 ASP CA C 51.243 0.300 1 302 35 35 ASP CB C 36.554 0.300 1 303 35 35 ASP N N 118.475 0.300 1 304 36 36 ARG H H 7.684 0.020 1 305 36 36 ARG HA H 3.860 0.020 1 306 36 36 ARG HB2 H 1.854 0.020 2 307 36 36 ARG HB3 H 1.771 0.020 2 308 36 36 ARG HG2 H 1.723 0.020 2 309 36 36 ARG HG3 H 1.656 0.020 2 310 36 36 ARG HD2 H 3.235 0.020 1 311 36 36 ARG HD3 H 3.235 0.020 1 312 36 36 ARG CA C 58.357 0.300 1 313 36 36 ARG CB C 29.383 0.300 1 314 36 36 ARG CG C 27.095 0.300 1 315 36 36 ARG CD C 42.815 0.300 1 316 36 36 ARG N N 125.550 0.300 1 317 37 37 GLY H H 8.851 0.020 1 318 37 37 GLY HA2 H 3.816 0.020 2 319 37 37 GLY HA3 H 3.458 0.020 2 320 37 37 GLY C C 173.725 0.300 1 321 37 37 GLY CA C 45.305 0.300 1 322 37 37 GLY N N 105.802 0.300 1 323 38 38 SER H H 7.400 0.020 1 324 38 38 SER HA H 3.545 0.020 1 325 38 38 SER HB2 H 4.202 0.020 2 326 38 38 SER HB3 H 3.417 0.020 2 327 38 38 SER C C 174.374 0.300 1 328 38 38 SER CA C 58.832 0.300 1 329 38 38 SER CB C 60.931 0.300 1 330 38 38 SER N N 115.265 0.300 1 331 40 40 THR HA H 4.522 0.020 1 332 40 40 THR HB H 4.510 0.020 1 333 40 40 THR HG2 H 1.069 0.020 1 334 40 40 THR CA C 61.861 0.300 1 335 40 40 THR CB C 71.081 0.300 1 336 40 40 THR CG2 C 23.395 0.300 1 337 41 41 VAL HA H 4.184 0.020 1 338 41 41 VAL HB H 1.858 0.020 1 339 41 41 VAL HG1 H 0.713 0.020 1 340 41 41 VAL HG2 H 0.266 0.020 1 341 41 41 VAL C C 174.194 0.300 1 342 41 41 VAL CA C 61.689 0.300 1 343 41 41 VAL CB C 33.065 0.300 1 344 41 41 VAL CG1 C 20.908 0.300 1 345 41 41 VAL CG2 C 20.835 0.300 1 346 42 42 CYS H H 7.960 0.020 1 347 42 42 CYS HA H 4.934 0.020 1 348 42 42 CYS HB2 H 3.125 0.020 2 349 42 42 CYS HB3 H 2.719 0.020 2 350 42 42 CYS C C 171.863 0.300 1 351 42 42 CYS CA C 55.305 0.300 1 352 42 42 CYS CB C 39.054 0.300 1 353 42 42 CYS N N 128.125 0.300 1 354 43 43 ALA H H 8.941 0.020 1 355 43 43 ALA HA H 5.482 0.020 1 356 43 43 ALA HB H 1.108 0.020 1 357 43 43 ALA C C 174.967 0.300 1 358 43 43 ALA CA C 49.367 0.300 1 359 43 43 ALA CB C 23.412 0.300 1 360 43 43 ALA N N 131.843 0.300 1 361 44 44 GLU H H 8.506 0.020 1 362 44 44 GLU HA H 4.794 0.020 1 363 44 44 GLU HB2 H 1.996 0.020 1 364 44 44 GLU HB3 H 1.996 0.020 1 365 44 44 GLU HG2 H 2.037 0.020 1 366 44 44 GLU HG3 H 2.037 0.020 1 367 44 44 GLU C C 174.884 0.300 1 368 44 44 GLU CA C 54.680 0.300 1 369 44 44 GLU CB C 32.588 0.300 1 370 44 44 GLU CG C 37.945 0.300 1 371 44 44 GLU N N 120.186 0.300 1 372 45 45 MET H H 9.460 0.020 1 373 45 45 MET HA H 4.442 0.020 1 374 45 45 MET HB2 H 2.696 0.020 2 375 45 45 MET HB3 H 1.584 0.020 2 376 45 45 MET HG2 H 2.832 0.020 2 377 45 45 MET HG3 H 2.779 0.020 2 378 45 45 MET HE H 2.138 0.020 1 379 45 45 MET C C 177.723 0.300 1 380 45 45 MET CA C 56.243 0.300 1 381 45 45 MET CB C 36.554 0.300 1 382 45 45 MET CG C 33.602 0.300 1 383 45 45 MET CE C 22.320 0.300 1 384 45 45 MET N N 120.675 0.300 1 385 46 46 THR H H 6.901 0.020 1 386 46 46 THR HA H 4.794 0.020 1 387 46 46 THR HB H 4.708 0.020 1 388 46 46 THR HG2 H 1.454 0.020 1 389 46 46 THR C C 174.207 0.300 1 390 46 46 THR CA C 57.805 0.300 1 391 46 46 THR CB C 71.556 0.300 1 392 46 46 THR CG2 C 22.049 0.300 1 393 46 46 THR N N 110.714 0.300 1 394 47 47 GLU H H 9.691 0.020 1 395 47 47 GLU HA H 4.075 0.020 1 396 47 47 GLU HB2 H 2.101 0.020 1 397 47 47 GLU HB3 H 2.101 0.020 1 398 47 47 GLU HG2 H 2.289 0.020 2 399 47 47 GLU HG3 H 2.355 0.020 2 400 47 47 GLU C C 178.309 0.300 1 401 47 47 GLU CA C 60.159 0.300 1 402 47 47 GLU CB C 29.483 0.300 1 403 47 47 GLU CG C 36.178 0.300 1 404 47 47 GLU N N 124.844 0.300 1 405 48 48 GLU H H 9.292 0.020 1 406 48 48 GLU HA H 4.073 0.020 1 407 48 48 GLU HB2 H 2.122 0.020 2 408 48 48 GLU HB3 H 2.087 0.020 2 409 48 48 GLU HG2 H 2.469 0.020 2 410 48 48 GLU HG3 H 2.339 0.020 2 411 48 48 GLU C C 179.364 0.300 1 412 48 48 GLU CA C 59.993 0.300 1 413 48 48 GLU CB C 28.741 0.300 1 414 48 48 GLU CG C 36.498 0.300 1 415 48 48 GLU N N 116.377 0.300 1 416 49 49 PHE H H 8.228 0.020 1 417 49 49 PHE HA H 4.372 0.020 1 418 49 49 PHE HB2 H 3.456 0.020 2 419 49 49 PHE HB3 H 2.964 0.020 2 420 49 49 PHE HD1 H 7.311 0.020 1 421 49 49 PHE HD2 H 7.311 0.020 1 422 49 49 PHE C C 177.606 0.300 1 423 49 49 PHE CA C 61.243 0.300 1 424 49 49 PHE CB C 39.601 0.300 1 425 49 49 PHE CD2 C 131.816 0.300 1 426 49 49 PHE N N 119.915 0.300 1 427 50 50 LEU H H 8.588 0.020 1 428 50 50 LEU HA H 3.687 0.020 1 429 50 50 LEU HB2 H 2.111 0.020 2 430 50 50 LEU HB3 H 1.461 0.020 2 431 50 50 LEU HG H 1.896 0.020 1 432 50 50 LEU HD1 H 0.762 0.020 1 433 50 50 LEU HD2 H 0.606 0.020 1 434 50 50 LEU C C 180.100 0.300 1 435 50 50 LEU CA C 58.430 0.300 1 436 50 50 LEU CB C 40.851 0.300 1 437 50 50 LEU CG C 27.274 0.300 1 438 50 50 LEU CD1 C 24.427 0.300 1 439 50 50 LEU CD2 C 25.121 0.300 1 440 50 50 LEU N N 123.184 0.300 1 441 51 51 LEU H H 8.348 0.020 1 442 51 51 LEU HA H 3.975 0.020 1 443 51 51 LEU HB2 H 1.843 0.020 2 444 51 51 LEU HB3 H 1.576 0.020 2 445 51 51 LEU HG H 1.813 0.020 1 446 51 51 LEU HD1 H 0.835 0.020 1 447 51 51 LEU HD2 H 0.895 0.020 1 448 51 51 LEU C C 178.544 0.300 1 449 51 51 LEU CA C 58.024 0.300 1 450 51 51 LEU CB C 41.242 0.300 1 451 51 51 LEU CG C 26.685 0.300 1 452 51 51 LEU CD1 C 22.490 0.300 1 453 51 51 LEU CD2 C 25.066 0.300 1 454 51 51 LEU N N 121.035 0.300 1 455 52 52 PHE H H 7.996 0.020 1 456 52 52 PHE HA H 4.243 0.020 1 457 52 52 PHE HB2 H 3.323 0.020 2 458 52 52 PHE HB3 H 3.098 0.020 2 459 52 52 PHE HD1 H 7.085 0.020 1 460 52 52 PHE HD2 H 7.085 0.020 1 461 52 52 PHE C C 179.024 0.300 1 462 52 52 PHE CA C 61.488 0.300 1 463 52 52 PHE CB C 39.367 0.300 1 464 52 52 PHE CD1 C 131.387 0.300 1 465 52 52 PHE N N 120.893 0.300 1 466 53 53 SER H H 8.981 0.020 1 467 53 53 SER HA H 4.308 0.020 1 468 53 53 SER C C 177.489 0.300 1 469 53 53 SER CA C 61.556 0.300 1 470 53 53 SER N N 117.407 0.300 1 471 54 54 ARG H H 7.614 0.020 1 472 54 54 ARG HA H 3.458 0.020 1 473 54 54 ARG HB2 H 2.136 0.020 2 474 54 54 ARG HB3 H 1.967 0.020 2 475 54 54 ARG HG2 H 1.643 0.020 2 476 54 54 ARG HG3 H 1.535 0.020 2 477 54 54 ARG HD2 H 3.193 0.020 2 478 54 54 ARG HD3 H 3.104 0.020 2 479 54 54 ARG C C 179.012 0.300 1 480 54 54 ARG CA C 60.102 0.300 1 481 54 54 ARG CB C 29.543 0.300 1 482 54 54 ARG CG C 26.085 0.300 1 483 54 54 ARG CD C 43.464 0.300 1 484 54 54 ARG N N 122.566 0.300 1 485 55 55 ASP H H 7.867 0.020 1 486 55 55 ASP HA H 4.372 0.020 1 487 55 55 ASP HB2 H 2.590 0.020 2 488 55 55 ASP HB3 H 2.438 0.020 2 489 55 55 ASP C C 176.199 0.300 1 490 55 55 ASP CA C 56.243 0.300 1 491 55 55 ASP CB C 39.679 0.300 1 492 55 55 ASP N N 119.607 0.300 1 493 56 56 ARG H H 7.392 0.020 1 494 56 56 ARG HA H 4.407 0.020 1 495 56 56 ARG HB2 H 3.493 0.020 2 496 56 56 ARG HB3 H 2.247 0.020 2 497 56 56 ARG C C 174.207 0.300 1 498 56 56 ARG CA C 55.930 0.300 1 499 56 56 ARG CB C 27.179 0.300 1 500 56 56 ARG N N 115.824 0.300 1 501 57 57 GLY H H 7.543 0.020 1 502 57 57 GLY HA2 H 4.196 0.020 2 503 57 57 GLY HA3 H 3.774 0.020 2 504 57 57 GLY C C 173.152 0.300 1 505 57 57 GLY CA C 46.147 0.300 1 506 57 57 GLY N N 106.085 0.300 1 507 58 58 ASN H H 8.326 0.020 1 508 58 58 ASN HA H 4.934 0.020 1 509 58 58 ASN HB2 H 2.951 0.020 2 510 58 58 ASN HB3 H 1.971 0.020 2 511 58 58 ASN C C 172.870 0.300 1 512 58 58 ASN CA C 50.618 0.300 1 513 58 58 ASN CB C 37.846 0.300 1 514 58 58 ASN N N 120.494 0.300 1 515 59 59 ASP H H 8.605 0.020 1 516 59 59 ASP HA H 4.231 0.020 1 517 59 59 ASP HB2 H 2.992 0.020 2 518 59 59 ASP HB3 H 2.644 0.020 2 519 59 59 ASP C C 176.181 0.300 1 520 59 59 ASP CA C 54.055 0.300 1 521 59 59 ASP CB C 39.679 0.300 1 522 59 59 ASP N N 121.086 0.300 1 523 60 60 LEU H H 8.612 0.020 1 524 60 60 LEU HA H 4.477 0.020 1 525 60 60 LEU HB2 H 1.593 0.020 2 526 60 60 LEU HB3 H 1.542 0.020 2 527 60 60 LEU C C 176.199 0.300 1 528 60 60 LEU CA C 54.055 0.300 1 529 60 60 LEU CB C 42.808 0.300 1 530 60 60 LEU CG C 29.040 0.300 1 531 60 60 LEU N N 128.367 0.300 1 532 61 61 MET H H 8.580 0.020 1 533 61 61 MET HE H 2.054 0.020 1 534 61 61 MET C C 177.137 0.300 1 535 61 61 MET CA C 57.805 0.300 1 536 61 61 MET CB C 35.617 0.300 1 537 61 61 MET CE C 16.275 0.300 1 538 61 61 MET N N 118.501 0.300 1 539 62 62 THR H H 8.386 0.020 1 540 62 62 THR HA H 4.269 0.020 1 541 62 62 THR HB H 3.943 0.020 1 542 62 62 THR HG2 H 1.296 0.020 1 543 62 62 THR C C 172.571 0.300 1 544 62 62 THR CA C 61.567 0.300 1 545 62 62 THR CB C 69.073 0.300 1 546 62 62 THR CG2 C 21.173 0.300 1 547 62 62 THR N N 120.521 0.300 1 548 63 63 PRO HG2 H 2.028 0.020 2 549 63 63 PRO HG3 H 1.941 0.020 2 550 63 63 PRO HD2 H 4.189 0.020 2 551 63 63 PRO HD3 H 3.651 0.020 2 552 63 63 PRO CG C 27.421 0.300 1 553 63 63 PRO CD C 51.118 0.300 1 554 64 64 ARG HA H 5.027 0.020 1 555 64 64 ARG HB2 H 2.096 0.020 2 556 64 64 ARG HB3 H 1.728 0.020 2 557 64 64 ARG HG2 H 1.820 0.020 2 558 64 64 ARG HG3 H 1.714 0.020 2 559 64 64 ARG HD2 H 3.270 0.020 1 560 64 64 ARG HD3 H 3.270 0.020 1 561 64 64 ARG CA C 51.927 0.300 1 562 64 64 ARG CB C 31.615 0.300 1 563 64 64 ARG CG C 25.610 0.300 1 564 64 64 ARG CD C 42.801 0.300 1 565 65 65 PRO HA H 4.358 0.020 1 566 65 65 PRO HB2 H 2.386 0.020 2 567 65 65 PRO HB3 H 2.005 0.020 2 568 65 65 PRO HG2 H 2.097 0.020 2 569 65 65 PRO HG3 H 2.019 0.020 2 570 65 65 PRO HD2 H 3.958 0.020 2 571 65 65 PRO HD3 H 3.380 0.020 2 572 65 65 PRO CA C 64.974 0.300 1 573 65 65 PRO CB C 31.615 0.300 1 574 65 65 PRO CG C 27.126 0.300 1 575 65 65 PRO CD C 50.675 0.300 1 576 66 66 GLU H H 10.537 0.020 1 577 66 66 GLU HA H 4.104 0.020 1 578 66 66 GLU HB2 H 1.742 0.020 2 579 66 66 GLU HB3 H 1.704 0.020 2 580 66 66 GLU HG2 H 1.924 0.020 2 581 66 66 GLU HG3 H 1.482 0.020 2 582 66 66 GLU CA C 58.743 0.300 1 583 66 66 GLU CB C 27.779 0.300 1 584 66 66 GLU CG C 35.112 0.300 1 585 66 66 GLU N N 121.228 0.300 1 586 67 67 PHE H H 7.579 0.020 1 587 67 67 PHE HA H 5.017 0.020 1 588 67 67 PHE HB2 H 2.675 0.020 1 589 67 67 PHE HB3 H 2.675 0.020 1 590 67 67 PHE CA C 55.305 0.300 1 591 67 67 PHE CB C 39.670 0.300 1 592 67 67 PHE N N 117.849 0.300 1 593 68 68 ASN H H 8.302 0.020 1 594 68 68 ASN HA H 4.370 0.020 1 595 68 68 ASN HB2 H 3.194 0.020 2 596 68 68 ASN HB3 H 2.802 0.020 2 597 68 68 ASN HD21 H 7.564 0.020 2 598 68 68 ASN HD22 H 6.872 0.020 2 599 68 68 ASN C C 173.738 0.300 1 600 68 68 ASN CA C 54.101 0.300 1 601 68 68 ASN CB C 37.155 0.300 1 602 68 68 ASN N N 117.393 0.300 1 603 68 68 ASN ND2 N 112.028 0.300 1 604 69 69 PHE H H 7.659 0.020 1 605 69 69 PHE HA H 5.436 0.020 1 606 69 69 PHE HB2 H 3.194 0.020 2 607 69 69 PHE HB3 H 3.046 0.020 2 608 69 69 PHE C C 175.662 0.300 1 609 69 69 PHE CA C 53.573 0.300 1 610 69 69 PHE CB C 41.182 0.300 1 611 69 69 PHE N N 117.651 0.300 1 612 70 70 PRO HA H 4.324 0.020 1 613 70 70 PRO HB2 H 2.131 0.020 2 614 70 70 PRO HB3 H 1.922 0.020 2 615 70 70 PRO HG2 H 1.989 0.020 2 616 70 70 PRO HG3 H 1.412 0.020 2 617 70 70 PRO HD2 H 3.937 0.020 2 618 70 70 PRO HD3 H 3.229 0.020 2 619 70 70 PRO CA C 63.722 0.300 1 620 70 70 PRO CB C 32.523 0.300 1 621 70 70 PRO CG C 25.833 0.300 1 622 70 70 PRO CD C 51.220 0.300 1 623 72 72 LEU HA H 4.618 0.020 1 624 72 72 LEU HB2 H 1.537 0.020 2 625 72 72 LEU HB3 H 1.227 0.020 2 626 72 72 LEU HG H 0.471 0.020 1 627 72 72 LEU HD1 H 0.399 0.020 1 628 72 72 LEU HD2 H 0.399 0.020 1 629 72 72 LEU C C 175.613 0.300 1 630 72 72 LEU CA C 53.430 0.300 1 631 72 72 LEU CB C 44.788 0.300 1 632 72 72 LEU CG C 26.243 0.300 1 633 72 72 LEU CD1 C 22.431 0.300 1 634 73 73 LYS H H 8.759 0.020 1 635 73 73 LYS HA H 4.432 0.020 1 636 73 73 LYS HB2 H 1.688 0.020 1 637 73 73 LYS HB3 H 1.688 0.020 1 638 73 73 LYS HG2 H 1.414 0.020 2 639 73 73 LYS HG3 H 1.207 0.020 2 640 73 73 LYS HD2 H 1.611 0.020 1 641 73 73 LYS HD3 H 1.611 0.020 1 642 73 73 LYS HE2 H 2.982 0.020 1 643 73 73 LYS HE3 H 2.982 0.020 1 644 73 73 LYS C C 175.613 0.300 1 645 73 73 LYS CA C 53.091 0.300 1 646 73 73 LYS CB C 35.861 0.300 1 647 73 73 LYS CG C 23.447 0.300 1 648 73 73 LYS CD C 28.784 0.300 1 649 73 73 LYS CE C 42.204 0.300 1 650 73 73 LYS N N 118.694 0.300 1 651 74 74 ALA H H 8.696 0.020 1 652 74 74 ALA HA H 3.553 0.020 1 653 74 74 ALA HB H 1.388 0.020 1 654 74 74 ALA C C 178.192 0.300 1 655 74 74 ALA CA C 53.539 0.300 1 656 74 74 ALA CB C 17.688 0.300 1 657 74 74 ALA N N 122.013 0.300 1 658 75 75 GLY H H 8.628 0.020 1 659 75 75 GLY HA2 H 4.547 0.020 2 660 75 75 GLY HA3 H 3.588 0.020 2 661 75 75 GLY C C 174.676 0.300 1 662 75 75 GLY CA C 44.857 0.300 1 663 75 75 GLY N N 111.462 0.300 1 664 76 76 ASP H H 8.047 0.020 1 665 76 76 ASP HA H 4.864 0.020 1 666 76 76 ASP HB2 H 2.893 0.020 2 667 76 76 ASP HB3 H 2.694 0.020 2 668 76 76 ASP C C 175.905 0.300 1 669 76 76 ASP CA C 55.305 0.300 1 670 76 76 ASP CB C 41.867 0.300 1 671 76 76 ASP N N 120.945 0.300 1 672 77 77 ARG H H 7.388 0.020 1 673 77 77 ARG HA H 5.820 0.020 1 674 77 77 ARG HB2 H 1.810 0.020 1 675 77 77 ARG HB3 H 1.810 0.020 1 676 77 77 ARG HG2 H 2.169 0.020 1 677 77 77 ARG HG3 H 2.169 0.020 1 678 77 77 ARG C C 173.640 0.300 1 679 77 77 ARG CA C 54.929 0.300 1 680 77 77 ARG CB C 32.966 0.300 1 681 77 77 ARG CG C 27.494 0.300 1 682 77 77 ARG N N 120.649 0.300 1 683 78 78 TRP H H 8.777 0.020 1 684 78 78 TRP HA H 4.808 0.020 1 685 78 78 TRP HB2 H 3.335 0.020 2 686 78 78 TRP HB3 H 2.856 0.020 2 687 78 78 TRP HD1 H 6.994 0.020 1 688 78 78 TRP HE1 H 10.767 0.020 1 689 78 78 TRP HZ2 H 7.732 0.020 1 690 78 78 TRP CA C 55.930 0.300 1 691 78 78 TRP CB C 36.067 0.300 1 692 78 78 TRP CD1 C 128.150 0.300 1 693 78 78 TRP CZ2 C 115.278 0.300 1 694 78 78 TRP CH2 C 124.729 0.300 1 695 78 78 TRP N N 116.853 0.300 1 696 78 78 TRP NE1 N 130.959 0.300 1 697 80 80 LEU H H 9.512 0.020 1 698 80 80 LEU HA H 4.728 0.020 1 699 80 80 LEU HB2 H 1.673 0.020 2 700 80 80 LEU HB3 H 1.770 0.020 2 701 80 80 LEU HG H 2.095 0.020 1 702 80 80 LEU HD1 H 0.885 0.020 2 703 80 80 LEU HD2 H 1.237 0.020 2 704 80 80 LEU C C 177.929 0.300 1 705 80 80 LEU CA C 53.472 0.300 1 706 80 80 LEU CB C 45.452 0.300 1 707 80 80 LEU CG C 26.468 0.300 1 708 80 80 LEU CD1 C 27.771 0.300 1 709 80 80 LEU CD2 C 24.308 0.300 1 710 80 80 LEU N N 126.694 0.300 1 711 82 82 ALA H H 8.704 0.020 1 712 82 82 ALA HA H 3.950 0.020 1 713 82 82 ALA HB H 1.497 0.020 1 714 82 82 ALA C C 179.603 0.300 1 715 82 82 ALA CA C 56.243 0.300 1 716 82 82 ALA CB C 17.621 0.300 1 717 82 82 ALA N N 131.662 0.300 1 718 83 83 SER H H 9.008 0.020 1 719 83 83 SER HA H 4.192 0.020 1 720 83 83 SER HB2 H 3.820 0.020 2 721 83 83 SER HB3 H 3.729 0.020 2 722 83 83 SER C C 177.723 0.300 1 723 83 83 SER CA C 60.618 0.300 1 724 83 83 SER CB C 61.769 0.300 1 725 83 83 SER N N 110.305 0.300 1 726 84 84 ARG H H 7.204 0.020 1 727 84 84 ARG HA H 4.372 0.020 1 728 84 84 ARG HB2 H 2.163 0.020 1 729 84 84 ARG HB3 H 2.163 0.020 1 730 84 84 ARG C C 180.045 0.300 1 731 84 84 ARG CA C 56.868 0.300 1 732 84 84 ARG CB C 29.679 0.300 1 733 84 84 ARG N N 121.588 0.300 1 734 85 85 TRP H H 8.010 0.020 1 735 85 85 TRP HA H 3.784 0.020 1 736 85 85 TRP HB2 H 3.575 0.020 1 737 85 85 TRP HB3 H 3.575 0.020 1 738 85 85 TRP HD1 H 6.409 0.020 1 739 85 85 TRP HE1 H 9.971 0.020 1 740 85 85 TRP HZ2 H 6.790 0.020 1 741 85 85 TRP HH2 H 6.378 0.020 1 742 85 85 TRP C C 177.254 0.300 1 743 85 85 TRP CA C 64.301 0.300 1 744 85 85 TRP CB C 28.225 0.300 1 745 85 85 TRP CD1 C 122.777 0.300 1 746 85 85 TRP CZ2 C 113.408 0.300 1 747 85 85 TRP CH2 C 123.911 0.300 1 748 85 85 TRP N N 123.042 0.300 1 749 85 85 TRP NE1 N 128.683 0.300 1 750 86 86 GLN H H 8.419 0.020 1 751 86 86 GLN HA H 4.074 0.020 1 752 86 86 GLN HB2 H 2.498 0.020 2 753 86 86 GLN HB3 H 2.123 0.020 2 754 86 86 GLN HG2 H 2.659 0.020 2 755 86 86 GLN HG3 H 2.453 0.020 2 756 86 86 GLN HE21 H 8.019 0.020 2 757 86 86 GLN HE22 H 6.467 0.020 2 758 86 86 GLN C C 177.489 0.300 1 759 86 86 GLN CA C 58.607 0.300 1 760 86 86 GLN CB C 27.043 0.300 1 761 86 86 GLN CG C 31.650 0.300 1 762 86 86 GLN N N 118.685 0.300 1 763 86 86 GLN NE2 N 108.170 0.300 1 764 87 87 GLU H H 8.015 0.020 1 765 87 87 GLU HA H 4.045 0.020 1 766 87 87 GLU HB2 H 2.252 0.020 1 767 87 87 GLU HB3 H 2.252 0.020 1 768 87 87 GLU HG2 H 2.374 0.020 1 769 87 87 GLU HG3 H 2.374 0.020 1 770 87 87 GLU C C 178.661 0.300 1 771 87 87 GLU CA C 58.743 0.300 1 772 87 87 GLU CB C 30.793 0.300 1 773 87 87 GLU CG C 36.252 0.300 1 774 87 87 GLU N N 118.938 0.300 1 775 88 88 ALA H H 7.258 0.020 1 776 88 88 ALA HA H 3.383 0.020 1 777 88 88 ALA HB H 1.142 0.020 1 778 88 88 ALA C C 179.012 0.300 1 779 88 88 ALA CA C 54.232 0.300 1 780 88 88 ALA CB C 17.491 0.300 1 781 88 88 ALA N N 120.610 0.300 1 782 89 89 PHE H H 8.525 0.020 1 783 89 89 PHE HA H 3.537 0.020 1 784 89 89 PHE HB2 H 2.813 0.020 1 785 89 89 PHE HB3 H 2.813 0.020 1 786 89 89 PHE HD1 H 6.731 0.020 1 787 89 89 PHE HD2 H 6.731 0.020 1 788 89 89 PHE HE1 H 7.386 0.020 1 789 89 89 PHE HE2 H 7.386 0.020 1 790 89 89 PHE C C 179.716 0.300 1 791 89 89 PHE CA C 60.618 0.300 1 792 89 89 PHE CB C 37.736 0.300 1 793 89 89 PHE CD1 C 131.033 0.300 1 794 89 89 PHE CE1 C 130.993 0.300 1 795 89 89 PHE N N 121.743 0.300 1 796 90 90 GLU H H 8.513 0.020 1 797 90 90 GLU HA H 3.646 0.020 1 798 90 90 GLU HB2 H 2.004 0.020 1 799 90 90 GLU HB3 H 2.004 0.020 1 800 90 90 GLU HG2 H 2.748 0.020 2 801 90 90 GLU HG3 H 2.365 0.020 2 802 90 90 GLU C C 176.785 0.300 1 803 90 90 GLU CA C 58.805 0.300 1 804 90 90 GLU CB C 28.986 0.300 1 805 90 90 GLU CG C 36.988 0.300 1 806 90 90 GLU N N 121.009 0.300 1 807 91 91 ALA H H 6.865 0.020 1 808 91 91 ALA HA H 4.348 0.020 1 809 91 91 ALA HB H 1.208 0.020 1 810 91 91 ALA C C 177.137 0.300 1 811 91 91 ALA CA C 51.378 0.300 1 812 91 91 ALA CB C 20.345 0.300 1 813 91 91 ALA N N 118.655 0.300 1 814 92 92 GLY H H 7.537 0.020 1 815 92 92 GLY HA2 H 3.915 0.020 2 816 92 92 GLY HA3 H 3.691 0.020 2 817 92 92 GLY C C 175.145 0.300 1 818 92 92 GLY CA C 45.903 0.300 1 819 92 92 GLY N N 107.551 0.300 1 820 93 93 MET H H 7.720 0.020 1 821 93 93 MET HA H 4.547 0.020 1 822 93 93 MET HB2 H 1.770 0.020 2 823 93 93 MET HB3 H 0.705 0.020 2 824 93 93 MET HG2 H 2.157 0.020 2 825 93 93 MET HG3 H 1.941 0.020 2 826 93 93 MET HE H 2.030 0.020 1 827 93 93 MET C C 175.262 0.300 1 828 93 93 MET CA C 52.805 0.300 1 829 93 93 MET CB C 33.180 0.300 1 830 93 93 MET CG C 31.730 0.300 1 831 93 93 MET CE C 18.132 0.300 1 832 93 93 MET N N 117.818 0.300 1 833 94 94 ALA H H 7.656 0.020 1 834 94 94 ALA HA H 3.400 0.020 1 835 94 94 ALA HB H 0.183 0.020 1 836 94 94 ALA C C 175.353 0.300 1 837 94 94 ALA CA C 50.305 0.300 1 838 94 94 ALA CB C 15.733 0.300 1 839 94 94 ALA N N 122.450 0.300 1 840 96 96 PRO HA H 5.107 0.020 1 841 96 96 PRO HB2 H 2.370 0.020 2 842 96 96 PRO HB3 H 1.820 0.020 2 843 96 96 PRO HG2 H 2.168 0.020 2 844 96 96 PRO HG3 H 2.089 0.020 2 845 96 96 PRO HD2 H 4.325 0.020 2 846 96 96 PRO HD3 H 3.846 0.020 2 847 96 96 PRO C C 175.965 0.300 1 848 96 96 PRO CA C 62.521 0.300 1 849 96 96 PRO CB C 33.087 0.300 1 850 96 96 PRO CG C 27.494 0.300 1 851 96 96 PRO CD C 50.308 0.300 1 852 97 97 VAL H H 8.232 0.020 1 853 97 97 VAL HA H 4.838 0.020 1 854 97 97 VAL HB H 1.548 0.020 1 855 97 97 VAL HG1 H 0.568 0.020 1 856 97 97 VAL HG2 H 0.439 0.020 1 857 97 97 VAL C C 174.953 0.300 1 858 97 97 VAL CA C 60.306 0.300 1 859 97 97 VAL CB C 35.217 0.300 1 860 97 97 VAL CG1 C 21.445 0.300 1 861 97 97 VAL CG2 C 21.962 0.300 1 862 97 97 VAL N N 116.185 0.300 1 863 98 98 VAL H H 8.751 0.020 1 864 98 98 VAL HA H 4.407 0.020 1 865 98 98 VAL HB H 1.765 0.020 1 866 98 98 VAL HG1 H 0.901 0.020 1 867 98 98 VAL HG2 H 0.762 0.020 1 868 98 98 VAL C C 178.831 0.300 1 869 98 98 VAL CA C 60.306 0.300 1 870 98 98 VAL CB C 30.953 0.300 1 871 98 98 VAL CG1 C 22.294 0.300 1 872 98 98 VAL CG2 C 19.939 0.300 1 873 98 98 VAL N N 125.198 0.300 1 874 99 99 LEU H H 9.300 0.020 1 875 99 99 LEU HA H 3.539 0.020 1 876 99 99 LEU HB2 H 1.702 0.020 2 877 99 99 LEU HB3 H 1.254 0.020 2 878 99 99 LEU HG H 0.847 0.020 1 879 99 99 LEU HD1 H 0.577 0.020 1 880 99 99 LEU HD2 H 0.577 0.020 1 881 99 99 LEU C C 178.895 0.300 1 882 99 99 LEU CA C 59.056 0.300 1 883 99 99 LEU CB C 41.867 0.300 1 884 99 99 LEU CG C 26.563 0.300 1 885 99 99 LEU CD1 C 23.838 0.300 1 886 99 99 LEU N N 132.824 0.300 1 887 100 100 GLN H H 9.512 0.020 1 888 100 100 GLN HA H 4.161 0.020 1 889 100 100 GLN HB2 H 2.016 0.020 1 890 100 100 GLN HB3 H 2.016 0.020 1 891 100 100 GLN HG2 H 2.563 0.020 2 892 100 100 GLN HG3 H 2.437 0.020 2 893 100 100 GLN HE21 H 7.823 0.020 2 894 100 100 GLN HE22 H 7.104 0.020 2 895 100 100 GLN C C 176.434 0.300 1 896 100 100 GLN CA C 57.619 0.300 1 897 100 100 GLN CB C 26.908 0.300 1 898 100 100 GLN CG C 33.823 0.300 1 899 100 100 GLN N N 113.174 0.300 1 900 100 100 GLN NE2 N 113.048 0.300 1 901 101 101 SER H H 7.152 0.020 1 902 101 101 SER HA H 4.934 0.020 1 903 101 101 SER HB2 H 3.890 0.020 2 904 101 101 SER HB3 H 3.307 0.020 2 905 101 101 SER C C 172.800 0.300 1 906 101 101 SER CA C 57.493 0.300 1 907 101 101 SER CB C 64.368 0.300 1 908 101 101 SER N N 114.898 0.300 1 909 102 102 THR H H 7.542 0.020 1 910 102 102 THR HA H 4.723 0.020 1 911 102 102 THR HB H 4.168 0.020 1 912 102 102 THR HG2 H 1.221 0.020 1 913 102 102 THR C C 172.870 0.300 1 914 102 102 THR CA C 62.806 0.300 1 915 102 102 THR CB C 70.306 0.300 1 916 102 102 THR CG2 C 20.736 0.300 1 917 102 102 THR N N 123.685 0.300 1 918 103 103 GLU H H 8.896 0.020 1 919 103 103 GLU HA H 4.161 0.020 1 920 103 103 GLU HB2 H 2.427 0.020 2 921 103 103 GLU HB3 H 1.982 0.020 2 922 103 103 GLU HG2 H 2.806 0.020 2 923 103 103 GLU HG3 H 2.679 0.020 2 924 103 103 GLU C C 177.489 0.300 1 925 103 103 GLU CA C 59.056 0.300 1 926 103 103 GLU CB C 30.861 0.300 1 927 103 103 GLU CG C 37.447 0.300 1 928 103 103 GLU N N 133.896 0.300 1 929 104 104 LYS H H 8.141 0.020 1 930 104 104 LYS HA H 3.704 0.020 1 931 104 104 LYS HB2 H 1.645 0.020 1 932 104 104 LYS HB3 H 1.645 0.020 1 933 104 104 LYS HG2 H 1.495 0.020 2 934 104 104 LYS HG3 H 1.269 0.020 2 935 104 104 LYS HD2 H 1.604 0.020 1 936 104 104 LYS HD3 H 1.604 0.020 1 937 104 104 LYS HE2 H 2.947 0.020 1 938 104 104 LYS HE3 H 2.947 0.020 1 939 104 104 LYS C C 177.606 0.300 1 940 104 104 LYS CA C 59.993 0.300 1 941 104 104 LYS CB C 32.491 0.300 1 942 104 104 LYS CG C 23.838 0.300 1 943 104 104 LYS CD C 29.544 0.300 1 944 104 104 LYS CE C 41.771 0.300 1 945 104 104 LYS N N 120.443 0.300 1 946 105 105 SER H H 9.675 0.020 1 947 105 105 SER HA H 4.490 0.020 1 948 105 105 SER HB2 H 4.026 0.020 1 949 105 105 SER HB3 H 4.026 0.020 1 950 105 105 SER C C 176.074 0.300 1 951 105 105 SER CA C 61.556 0.300 1 952 105 105 SER CB C 62.806 0.300 1 953 105 105 SER N N 118.526 0.300 1 954 106 106 ALA H H 8.751 0.020 1 955 106 106 ALA HA H 4.099 0.020 1 956 106 106 ALA HB H 1.199 0.020 1 957 106 106 ALA C C 179.989 0.300 1 958 106 106 ALA CA C 55.618 0.300 1 959 106 106 ALA CB C 18.116 0.300 1 960 106 106 ALA N N 125.522 0.300 1 961 107 107 LEU H H 7.503 0.020 1 962 107 107 LEU HA H 4.969 0.020 1 963 107 107 LEU HB2 H 1.814 0.020 2 964 107 107 LEU HB3 H 1.728 0.020 2 965 107 107 LEU HG H 1.803 0.020 1 966 107 107 LEU HD1 H 1.064 0.020 1 967 107 107 LEU HD2 H 0.728 0.020 1 968 107 107 LEU C C 177.723 0.300 1 969 107 107 LEU CA C 55.300 0.300 1 970 107 107 LEU CB C 39.584 0.300 1 971 107 107 LEU CG C 27.053 0.300 1 972 107 107 LEU CD1 C 25.139 0.300 1 973 107 107 LEU CD2 C 22.186 0.300 1 974 107 107 LEU N N 112.213 0.300 1 975 108 108 ARG H H 7.589 0.020 1 976 108 108 ARG HA H 3.962 0.020 1 977 108 108 ARG HB2 H 1.466 0.020 2 978 108 108 ARG HB3 H 1.295 0.020 2 979 108 108 ARG HG2 H 1.520 0.020 2 980 108 108 ARG HG3 H 1.285 0.020 2 981 108 108 ARG HD2 H 3.086 0.020 2 982 108 108 ARG HD3 H 3.043 0.020 2 983 108 108 ARG C C 176.785 0.300 1 984 108 108 ARG CA C 57.738 0.300 1 985 108 108 ARG CB C 29.924 0.300 1 986 108 108 ARG CG C 27.274 0.300 1 987 108 108 ARG CD C 43.435 0.300 1 988 108 108 ARG N N 117.913 0.300 1 989 109 109 TYR H H 7.998 0.020 1 990 109 109 TYR HA H 4.477 0.020 1 991 109 109 TYR HB2 H 3.114 0.020 2 992 109 109 TYR HB3 H 2.719 0.020 2 993 109 109 TYR HD1 H 7.136 0.020 1 994 109 109 TYR HD2 H 7.136 0.020 1 995 109 109 TYR HE1 H 6.851 0.020 1 996 109 109 TYR HE2 H 6.851 0.020 1 997 109 109 TYR C C 174.793 0.300 1 998 109 109 TYR CA C 58.743 0.300 1 999 109 109 TYR CB C 41.867 0.300 1 1000 109 109 TYR CD1 C 133.554 0.300 1 1001 109 109 TYR CE1 C 118.328 0.300 1 1002 109 109 TYR N N 114.886 0.300 1 1003 110 110 VAL H H 7.716 0.020 1 1004 110 110 VAL HA H 4.547 0.020 1 1005 110 110 VAL HB H 2.060 0.020 1 1006 110 110 VAL HG1 H 1.155 0.020 1 1007 110 110 VAL HG2 H 0.674 0.020 1 1008 110 110 VAL C C 173.621 0.300 1 1009 110 110 VAL CA C 58.430 0.300 1 1010 110 110 VAL CB C 35.304 0.300 1 1011 110 110 VAL CG1 C 22.932 0.300 1 1012 110 110 VAL CG2 C 19.546 0.300 1 1013 110 110 VAL N N 113.946 0.300 1 1014 111 111 SER H H 9.108 0.020 1 1015 111 111 SER HA H 4.618 0.020 1 1016 111 111 SER HB2 H 4.004 0.020 2 1017 111 111 SER HB3 H 3.908 0.020 2 1018 111 111 SER C C 176.082 0.300 1 1019 111 111 SER CA C 56.243 0.300 1 1020 111 111 SER CB C 64.368 0.300 1 1021 111 111 SER N N 115.863 0.300 1 1022 112 112 LEU H H 9.094 0.020 1 1023 112 112 LEU HA H 3.774 0.020 1 1024 112 112 LEU HB2 H 1.504 0.020 2 1025 112 112 LEU HB3 H 1.795 0.020 2 1026 112 112 LEU HG H 1.467 0.020 1 1027 112 112 LEU HD1 H 0.876 0.020 1 1028 112 112 LEU HD2 H 0.813 0.020 1 1029 112 112 LEU C C 177.723 0.300 1 1030 112 112 LEU CA C 57.805 0.300 1 1031 112 112 LEU CB C 40.903 0.300 1 1032 112 112 LEU CG C 26.611 0.300 1 1033 112 112 LEU CD1 C 25.515 0.300 1 1034 112 112 LEU CD2 C 22.732 0.300 1 1035 112 112 LEU N N 127.735 0.300 1 1036 113 113 ALA H H 8.159 0.020 1 1037 113 113 ALA HA H 4.196 0.020 1 1038 113 113 ALA HB H 1.373 0.020 1 1039 113 113 ALA C C 180.597 0.300 1 1040 113 113 ALA CA C 54.680 0.300 1 1041 113 113 ALA CB C 18.116 0.300 1 1042 113 113 ALA N N 118.397 0.300 1 1043 114 114 ASP H H 7.204 0.020 1 1044 114 114 ASP HA H 4.547 0.020 1 1045 114 114 ASP HB2 H 2.67 0.020 2 1046 114 114 ASP HB3 H 2.67 0.020 2 1047 114 114 ASP C C 178.192 0.300 1 1048 114 114 ASP CA C 57.180 0.300 1 1049 114 114 ASP CB C 39.679 0.300 1 1050 114 114 ASP N N 119.144 0.300 1 1051 115 115 LEU H H 7.416 0.020 1 1052 115 115 LEU HA H 3.633 0.020 1 1053 115 115 LEU HB2 H 1.842 0.020 2 1054 115 115 LEU HB3 H 0.865 0.020 2 1055 115 115 LEU HG H 1.335 0.020 1 1056 115 115 LEU HD1 H 0.409 0.020 1 1057 115 115 LEU HD2 H -0.483 0.020 1 1058 115 115 LEU C C 179.950 0.300 1 1059 115 115 LEU CA C 57.805 0.300 1 1060 115 115 LEU CB C 41.981 0.300 1 1061 115 115 LEU CG C 25.360 0.300 1 1062 115 115 LEU CD1 C 26.856 0.300 1 1063 115 115 LEU CD2 C 21.195 0.300 1 1064 115 115 LEU N N 118.500 0.300 1 1065 116 116 GLN H H 8.811 0.020 1 1066 116 116 GLN HA H 3.799 0.020 1 1067 116 116 GLN HB2 H 1.981 0.020 2 1068 116 116 GLN HB3 H 2.204 0.020 2 1069 116 116 GLN HG2 H 2.195 0.020 2 1070 116 116 GLN HG3 H 2.399 0.020 2 1071 116 116 GLN HE21 H 6.975 0.020 2 1072 116 116 GLN HE22 H 6.717 0.020 2 1073 116 116 GLN C C 179.012 0.300 1 1074 116 116 GLN CA C 59.165 0.300 1 1075 116 116 GLN CB C 28.361 0.300 1 1076 116 116 GLN CG C 34.853 0.300 1 1077 116 116 GLN N N 115.579 0.300 1 1078 116 116 GLN NE2 N 110.086 0.300 1 1079 117 117 ALA H H 7.683 0.020 1 1080 117 117 ALA HA H 4.221 0.020 1 1081 117 117 ALA HB H 1.642 0.020 1 1082 117 117 ALA C C 177.723 0.300 1 1083 117 117 ALA CA C 53.743 0.300 1 1084 117 117 ALA CB C 18.157 0.300 1 1085 117 117 ALA N N 120.675 0.300 1 1086 118 118 HIS H H 7.605 0.020 1 1087 118 118 HIS HA H 4.618 0.020 1 1088 118 118 HIS HB2 H 3.963 0.020 2 1089 118 118 HIS HB3 H 3.001 0.020 2 1090 118 118 HIS C C 173.738 0.300 1 1091 118 118 HIS CA C 54.993 0.300 1 1092 118 118 HIS CB C 29.897 0.300 1 1093 118 118 HIS N N 115.348 0.300 1 1094 119 119 ALA H H 7.260 0.020 1 1095 119 119 ALA HA H 4.829 0.020 1 1096 119 119 ALA HB H 1.489 0.020 1 1097 119 119 ALA C C 178.661 0.300 1 1098 119 119 ALA CA C 52.493 0.300 1 1099 119 119 ALA CB C 20.345 0.300 1 1100 119 119 ALA N N 124.110 0.300 1 1101 120 120 LEU H H 8.772 0.020 1 1102 120 120 LEU HA H 4.589 0.020 1 1103 120 120 LEU HB2 H 1.645 0.020 2 1104 120 120 LEU HB3 H 1.497 0.020 2 1105 120 120 LEU HG H 1.545 0.020 1 1106 120 120 LEU HD1 H 0.890 0.020 1 1107 120 120 LEU HD2 H 0.834 0.020 1 1108 120 120 LEU C C 175.443 0.300 1 1109 120 120 LEU CA C 52.824 0.300 1 1110 120 120 LEU CB C 42.180 0.300 1 1111 120 120 LEU CG C 27.126 0.300 1 1112 120 120 LEU CD1 C 24.678 0.300 1 1113 120 120 LEU CD2 C 23.433 0.300 1 1114 120 120 LEU N N 124.754 0.300 1 1115 121 121 PRO HA H 4.477 0.020 1 1116 121 121 PRO HB2 H 2.287 0.020 2 1117 121 121 PRO HB3 H 1.840 0.020 2 1118 121 121 PRO HG2 H 2.032 0.020 1 1119 121 121 PRO HG3 H 2.032 0.020 1 1120 121 121 PRO HD2 H 3.957 0.020 2 1121 121 121 PRO HD3 H 3.660 0.020 2 1122 121 121 PRO C C 176.551 0.300 1 1123 121 121 PRO CA C 63.118 0.300 1 1124 121 121 PRO CB C 31.866 0.300 1 1125 121 121 PRO CG C 27.494 0.300 1 1126 121 121 PRO CD C 50.636 0.300 1 1127 122 122 VAL H H 8.271 0.020 1 1128 122 122 VAL HA H 4.025 0.020 1 1129 122 122 VAL HB H 2.006 0.020 1 1130 122 122 VAL HG1 H 0.867 0.020 1 1131 122 122 VAL HG2 H 0.867 0.020 1 1132 122 122 VAL C C 176.082 0.300 1 1133 122 122 VAL CA C 62.358 0.300 1 1134 122 122 VAL CB C 32.491 0.300 1 1135 122 122 VAL CG1 C 20.945 0.300 1 1136 122 122 VAL N N 121.177 0.300 1 1137 123 123 LEU H H 8.230 0.020 1 1138 123 123 LEU HA H 4.359 0.020 1 1139 123 123 LEU HB2 H 1.561 0.020 2 1140 123 123 LEU HB3 H 1.491 0.020 2 1141 123 123 LEU HG H 1.544 0.020 1 1142 123 123 LEU HD1 H 0.837 0.020 1 1143 123 123 LEU HD2 H 0.893 0.020 1 1144 123 123 LEU C C 176.903 0.300 1 1145 123 123 LEU CA C 54.680 0.300 1 1146 123 123 LEU CB C 42.221 0.300 1 1147 123 123 LEU CG C 26.702 0.300 1 1148 123 123 LEU CD1 C 23.386 0.300 1 1149 123 123 LEU CD2 C 24.691 0.300 1 1150 123 123 LEU N N 125.673 0.300 1 1151 124 124 GLU H H 8.309 0.020 1 1152 124 124 GLU HA H 4.204 0.020 1 1153 124 124 GLU HB2 H 1.892 0.020 2 1154 124 124 GLU HB3 H 1.836 0.020 2 1155 124 124 GLU HG2 H 2.182 0.020 2 1156 124 124 GLU HG3 H 2.125 0.020 2 1157 124 124 GLU C C 175.958 0.300 1 1158 124 124 GLU CA C 56.243 0.300 1 1159 124 124 GLU CB C 30.312 0.300 1 1160 124 124 GLU CG C 36.031 0.300 1 1161 124 124 GLU N N 121.601 0.300 1 stop_ save_