data_11030 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal SAP Domain of SUMO E3 Ligases from Oryza sativa ; _BMRB_accession_number 11030 _BMRB_flat_file_name bmr11030.str _Entry_type original _Submission_date 2008-01-29 _Accession_date 2008-01-30 _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 Suzuki Rintaro . . 2 Shindo Heisaburo . . 3 Tase Akira . . 4 Yamazaki Toshimasa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1236 "13C chemical shifts" 927 "15N chemical shifts" 244 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-25 update author 'update entry authors' 2009-03-13 update BMRB 'complete entry citation' 2008-11-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structures and DNA Binding Properties of the N-terminal SAP Domains of SUMO E3 Ligases from Saccharomyces cerevisiae and Oryza sativa ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18831036 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Suzuki Rintaro . . 2 Shindo Heisaburo . . 3 Tase Akira . . 4 Kikuchi Yoshiko . . 5 Shimizu Mitsuhiro . . 6 Yamazaki Toshimasa . . stop_ _Journal_abbreviation Proteins _Journal_volume 75 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 336 _Page_last 347 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Siz1 1-105' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Siz1 1-105' $Siz1_1-105 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_Siz1_1-105 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Siz1 1-105' _Molecular_mass 12388.231 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; GSHMASADLVSSCKDKLAYF RIKELKDILNQLGLPKQGKK QDLIDRVLALLTDEQGQRHH GWGRKNSLTKEAVAKIVDDT YRKMQIQCAPDLATRSHSGS DFSFRPIEEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 SER 3 -3 HIS 4 -2 MET 5 -1 ALA 6 1 SER 7 2 ALA 8 3 ASP 9 4 LEU 10 5 VAL 11 6 SER 12 7 SER 13 8 CYS 14 9 LYS 15 10 ASP 16 11 LYS 17 12 LEU 18 13 ALA 19 14 TYR 20 15 PHE 21 16 ARG 22 17 ILE 23 18 LYS 24 19 GLU 25 20 LEU 26 21 LYS 27 22 ASP 28 23 ILE 29 24 LEU 30 25 ASN 31 26 GLN 32 27 LEU 33 28 GLY 34 29 LEU 35 30 PRO 36 31 LYS 37 32 GLN 38 33 GLY 39 34 LYS 40 35 LYS 41 36 GLN 42 37 ASP 43 38 LEU 44 39 ILE 45 40 ASP 46 41 ARG 47 42 VAL 48 43 LEU 49 44 ALA 50 45 LEU 51 46 LEU 52 47 THR 53 48 ASP 54 49 GLU 55 50 GLN 56 51 GLY 57 52 GLN 58 53 ARG 59 54 HIS 60 55 HIS 61 56 GLY 62 57 TRP 63 58 GLY 64 59 ARG 65 60 LYS 66 61 ASN 67 62 SER 68 63 LEU 69 64 THR 70 65 LYS 71 66 GLU 72 67 ALA 73 68 VAL 74 69 ALA 75 70 LYS 76 71 ILE 77 72 VAL 78 73 ASP 79 74 ASP 80 75 THR 81 76 TYR 82 77 ARG 83 78 LYS 84 79 MET 85 80 GLN 86 81 ILE 87 82 GLN 88 83 CYS 89 84 ALA 90 85 PRO 91 86 ASP 92 87 LEU 93 88 ALA 94 89 THR 95 90 ARG 96 91 SER 97 92 HIS 98 93 SER 99 94 GLY 100 95 SER 101 96 ASP 102 97 PHE 103 98 SER 104 99 PHE 105 100 ARG 106 101 PRO 107 102 ILE 108 103 GLU 109 104 GLU 110 105 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 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 2RNO "Solution Structure Of The N-Terminal Sap Domain Of Sumo E3 Ligases From Oryza Sativa" 100.00 110 100.00 100.00 2.93e-74 DBJ BAF16431 "Os05g0125000 [Oryza sativa Japonica Group]" 94.55 875 100.00 100.00 5.82e-63 DBJ BAG97182 "unnamed protein product [Oryza sativa Japonica Group]" 94.55 875 100.00 100.00 5.82e-63 DBJ BAS92058 "Os05g0125000 [Oryza sativa Japonica Group]" 94.55 875 100.00 100.00 5.82e-63 GB AAT39226 "putative DNA-binding protein [Oryza sativa Japonica Group]" 94.55 875 100.00 100.00 5.82e-63 GB EEC78434 "hypothetical protein OsI_18272 [Oryza sativa Indica Group]" 87.27 924 100.00 100.00 2.13e-57 GB EEE62174 "hypothetical protein OsJ_16961 [Oryza sativa Japonica Group]" 94.55 913 100.00 100.00 5.41e-63 REF NP_001054517 "Os05g0125000 [Oryza sativa Japonica Group]" 94.55 875 100.00 100.00 5.82e-63 SP Q6L4L4 "RecName: Full=E3 SUMO-protein ligase SIZ1" 94.55 875 100.00 100.00 5.82e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Siz1_1-105 'Oryza sativa' 39947 Eukaryota Viridiplantae Oryza sativa 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 $Siz1_1-105 'recombinant technology' . Escherichia coli BL21(DE3) pET-28b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_in_10%_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Siz1_1-105 0.7 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 92 % 'natural abundance' D2O 8 % . stop_ save_ save_13C_15N_in_100%_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Siz1_1-105 0.7 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 2 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 'released at Feb 10, 2006' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2003.027.13.05 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version 4.3.6 loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_AQUA _Saveframe_category software _Name AQUA _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Rullmann, Doreleijers and Kaptein' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version 3.5.4 loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C_15N_in_10%_D2O save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C_15N_in_10%_D2O save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_in_10%_D2O save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N_in_10%_D2O save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N_in_10%_D2O save_ save_3D_13C-edited_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited 1H-15N NOESY' _Sample_label $13C_15N_in_10%_D2O save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C_15N_in_100%_D2O save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N_in_100%_D2O save_ save_4D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY' _Sample_label $13C_15N_in_100%_D2O save_ save_3D_HCABGCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCABGCO' _Sample_label $13C_15N_in_100%_D2O save_ ####################### # Sample conditions # ####################### save_pH_6.1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 . pH pressure 1 . atm temperature 283 . 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 TSP C 13 'methyl carbons' ppm 0.00 external direct . . . 1 TSP H 1 'methyl protons' ppm 0.00 external indirect . . . 1 'ammonium hydroxide' N 15 nitrogen ppm 0.00 external direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D 13C-edited 1H-15N NOESY' stop_ loop_ _Sample_label $13C_15N_in_10%_D2O stop_ _Sample_conditions_label $pH_6.1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Siz1 1-105' _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 -5 1 GLY CA C 42.872 0.400 1 2 -5 1 GLY C C 169.813 0.400 1 3 -4 2 SER N N 115.528 0.400 1 4 -4 2 SER H H 8.751 0.020 1 5 -4 2 SER CA C 57.819 0.400 1 6 -4 2 SER HA H 4.461 0.020 1 7 -4 2 SER CB C 63.389 0.400 1 8 -4 2 SER C C 173.924 0.400 1 9 -3 3 HIS N N 120.998 0.400 1 10 -3 3 HIS H H 8.769 0.020 1 11 -3 3 HIS CA C 55.238 0.400 1 12 -3 3 HIS HA H 4.703 0.020 1 13 -3 3 HIS CB C 28.916 0.400 1 14 -3 3 HIS HB2 H 3.226 0.020 2 15 -3 3 HIS HB3 H 3.143 0.020 2 16 -3 3 HIS C C 174.207 0.400 1 17 -2 4 MET N N 122.227 0.400 1 18 -2 4 MET H H 8.518 0.020 1 19 -2 4 MET CA C 55.003 0.400 1 20 -2 4 MET HA H 4.420 0.020 1 21 -2 4 MET CB C 32.578 0.400 1 22 -2 4 MET HB2 H 2.033 0.020 2 23 -2 4 MET HB3 H 1.939 0.020 2 24 -2 4 MET CG C 31.360 0.400 1 25 -2 4 MET HG2 H 2.546 0.020 2 26 -2 4 MET HG3 H 2.490 0.020 2 27 -2 4 MET HE H 2.052 0.020 1 28 -2 4 MET CE C 16.493 0.400 1 29 -2 4 MET C C 175.475 0.400 1 30 -1 5 ALA N N 125.936 0.400 1 31 -1 5 ALA H H 8.651 0.020 1 32 -1 5 ALA CA C 52.314 0.400 1 33 -1 5 ALA HA H 4.310 0.020 1 34 -1 5 ALA HB H 1.420 0.020 1 35 -1 5 ALA CB C 18.544 0.400 1 36 -1 5 ALA C C 177.886 0.400 1 37 1 6 SER N N 115.890 0.400 1 38 1 6 SER H H 8.537 0.020 1 39 1 6 SER CA C 58.928 0.400 1 40 1 6 SER HA H 4.313 0.020 1 41 1 6 SER CB C 62.863 0.400 1 42 1 6 SER HB2 H 3.913 0.020 2 43 1 6 SER HB3 H 3.874 0.020 2 44 1 6 SER C C 174.553 0.400 1 45 2 7 ALA N N 124.543 0.400 1 46 2 7 ALA H H 8.453 0.020 1 47 2 7 ALA CA C 53.203 0.400 1 48 2 7 ALA HA H 4.211 0.020 1 49 2 7 ALA HB H 1.390 0.020 1 50 2 7 ALA CB C 18.387 0.400 1 51 2 7 ALA C C 178.091 0.400 1 52 3 8 ASP N N 118.618 0.400 1 53 3 8 ASP H H 8.064 0.020 1 54 3 8 ASP CA C 54.381 0.400 1 55 3 8 ASP HA H 4.551 0.020 1 56 3 8 ASP CB C 40.446 0.400 1 57 3 8 ASP HB2 H 2.733 0.020 2 58 3 8 ASP HB3 H 2.733 0.020 2 59 3 8 ASP C C 176.662 0.400 1 60 4 9 LEU N N 123.427 0.400 1 61 4 9 LEU H H 8.202 0.020 1 62 4 9 LEU CA C 57.491 0.400 1 63 4 9 LEU HA H 4.084 0.020 1 64 4 9 LEU CB C 41.745 0.400 1 65 4 9 LEU HB2 H 1.621 0.020 2 66 4 9 LEU HB3 H 1.763 0.020 2 67 4 9 LEU HD1 H 0.845 0.020 2 68 4 9 LEU HD2 H 0.812 0.020 2 69 4 9 LEU CD1 C 24.288 0.400 1 70 4 9 LEU C C 178.873 0.400 1 71 5 10 VAL N N 119.385 0.400 1 72 5 10 VAL H H 8.186 0.020 1 73 5 10 VAL CA C 66.686 0.400 1 74 5 10 VAL HA H 3.435 0.020 1 75 5 10 VAL CB C 31.135 0.400 1 76 5 10 VAL HB H 2.128 0.020 1 77 5 10 VAL HG1 H 0.885 0.020 2 78 5 10 VAL HG2 H 0.971 0.020 2 79 5 10 VAL CG1 C 20.919 0.400 1 80 5 10 VAL CG2 C 22.710 0.400 1 81 5 10 VAL C C 177.408 0.400 1 82 6 11 SER N N 115.027 0.400 1 83 6 11 SER H H 8.252 0.020 1 84 6 11 SER CA C 61.229 0.400 1 85 6 11 SER HA H 4.068 0.020 1 86 6 11 SER CB C 62.054 0.400 1 87 6 11 SER HB2 H 3.901 0.020 2 88 6 11 SER HB3 H 3.901 0.020 2 89 6 11 SER C C 176.036 0.400 1 90 7 12 SER N N 115.144 0.400 1 91 7 12 SER H H 8.053 0.020 1 92 7 12 SER CA C 60.212 0.400 1 93 7 12 SER HA H 4.309 0.020 1 94 7 12 SER CB C 62.720 0.400 1 95 7 12 SER HB2 H 3.939 0.020 2 96 7 12 SER HB3 H 3.939 0.020 2 97 7 12 SER C C 176.540 0.400 1 98 8 13 CYS N N 118.211 0.400 1 99 8 13 CYS H H 7.919 0.020 1 100 8 13 CYS CA C 63.729 0.400 1 101 8 13 CYS HA H 4.046 0.020 1 102 8 13 CYS CB C 26.703 0.400 1 103 8 13 CYS HB2 H 3.055 0.020 2 104 8 13 CYS HB3 H 2.440 0.020 2 105 8 13 CYS C C 175.645 0.400 1 106 9 14 LYS N N 120.074 0.400 1 107 9 14 LYS H H 8.632 0.020 1 108 9 14 LYS CA C 60.438 0.400 1 109 9 14 LYS HA H 3.668 0.020 1 110 9 14 LYS CB C 31.655 0.400 1 111 9 14 LYS HB2 H 1.836 0.020 2 112 9 14 LYS HB3 H 1.901 0.020 2 113 9 14 LYS CG C 24.868 0.400 1 114 9 14 LYS HG2 H 1.430 0.020 2 115 9 14 LYS HG3 H 1.341 0.020 2 116 9 14 LYS CD C 29.099 0.400 1 117 9 14 LYS HD2 H 1.639 0.020 2 118 9 14 LYS HD3 H 1.606 0.020 2 119 9 14 LYS CE C 41.546 0.400 1 120 9 14 LYS HE2 H 2.868 0.020 2 121 9 14 LYS HE3 H 2.845 0.020 2 122 9 14 LYS C C 177.590 0.400 1 123 10 15 ASP N N 117.611 0.400 1 124 10 15 ASP H H 7.732 0.020 1 125 10 15 ASP CA C 56.325 0.400 1 126 10 15 ASP HA H 4.320 0.020 1 127 10 15 ASP CB C 40.092 0.400 1 128 10 15 ASP HB2 H 2.620 0.020 2 129 10 15 ASP HB3 H 2.668 0.020 2 130 10 15 ASP C C 177.731 0.400 1 131 11 16 LYS N N 117.878 0.400 1 132 11 16 LYS H H 7.254 0.020 1 133 11 16 LYS CA C 58.984 0.400 1 134 11 16 LYS HA H 3.662 0.020 1 135 11 16 LYS CB C 32.933 0.400 1 136 11 16 LYS HB2 H 1.208 0.020 2 137 11 16 LYS HB3 H 1.208 0.020 2 138 11 16 LYS CG C 25.344 0.400 1 139 11 16 LYS HG2 H -0.054 0.020 2 140 11 16 LYS HG3 H -0.083 0.020 2 141 11 16 LYS CE C 41.750 0.400 1 142 11 16 LYS HE2 H 2.494 0.020 2 143 11 16 LYS HE3 H 2.494 0.020 2 144 11 16 LYS C C 177.350 0.400 1 145 12 17 LEU N N 115.652 0.400 1 146 12 17 LEU H H 8.138 0.020 1 147 12 17 LEU CA C 56.722 0.400 1 148 12 17 LEU HA H 3.588 0.020 1 149 12 17 LEU CB C 41.870 0.400 1 150 12 17 LEU HB2 H 1.735 0.020 2 151 12 17 LEU HB3 H 1.798 0.020 2 152 12 17 LEU HD1 H 0.747 0.020 2 153 12 17 LEU HD2 H 0.700 0.020 2 154 12 17 LEU CD1 C 26.073 0.400 1 155 12 17 LEU CD2 C 23.648 0.400 1 156 12 17 LEU C C 177.545 0.400 1 157 13 18 ALA N N 116.045 0.400 1 158 13 18 ALA H H 7.080 0.020 1 159 13 18 ALA CA C 53.475 0.400 1 160 13 18 ALA HA H 3.984 0.020 1 161 13 18 ALA HB H 1.299 0.020 1 162 13 18 ALA CB C 18.121 0.400 1 163 13 18 ALA C C 178.298 0.400 1 164 14 19 TYR N N 115.556 0.400 1 165 14 19 TYR H H 7.675 0.020 1 166 14 19 TYR CA C 58.741 0.400 1 167 14 19 TYR HA H 4.323 0.020 1 168 14 19 TYR CB C 38.610 0.400 1 169 14 19 TYR HB2 H 3.261 0.020 2 170 14 19 TYR HB3 H 3.073 0.020 2 171 14 19 TYR CD1 C 133.075 0.400 1 172 14 19 TYR CE1 C 118.050 0.400 1 173 14 19 TYR C C 176.007 0.400 1 174 15 20 PHE N N 118.275 0.400 1 175 15 20 PHE H H 7.406 0.020 1 176 15 20 PHE CA C 56.542 0.400 1 177 15 20 PHE HA H 4.652 0.020 1 178 15 20 PHE CB C 38.561 0.400 1 179 15 20 PHE HB2 H 3.287 0.020 2 180 15 20 PHE HB3 H 3.558 0.020 2 181 15 20 PHE CD1 C 130.714 0.400 1 182 15 20 PHE C C 176.160 0.400 1 183 16 21 ARG N N 119.140 0.400 1 184 16 21 ARG H H 8.714 0.020 1 185 16 21 ARG CA C 54.474 0.400 1 186 16 21 ARG HA H 4.747 0.020 1 187 16 21 ARG CB C 30.097 0.400 1 188 16 21 ARG HB2 H 2.299 0.020 2 189 16 21 ARG HB3 H 2.228 0.020 2 190 16 21 ARG CG C 27.411 0.400 1 191 16 21 ARG HG2 H 1.915 0.020 2 192 16 21 ARG HG3 H 1.915 0.020 2 193 16 21 ARG CD C 42.589 0.400 1 194 16 21 ARG HD2 H 3.423 0.020 2 195 16 21 ARG HD3 H 3.291 0.020 2 196 16 21 ARG NE N 84.463 0.400 1 197 16 21 ARG HE H 8.185 0.020 1 198 16 21 ARG CZ C 159.351 0.400 1 199 16 21 ARG HH11 H 7.203 0.020 2 200 16 21 ARG HH12 H 7.203 0.020 2 201 16 21 ARG HH21 H 6.894 0.020 2 202 16 21 ARG HH22 H 6.894 0.020 2 203 16 21 ARG C C 177.095 0.400 1 204 17 22 ILE N N 120.734 0.400 1 205 17 22 ILE H H 8.708 0.020 1 206 17 22 ILE CA C 65.114 0.400 1 207 17 22 ILE HA H 3.740 0.020 1 208 17 22 ILE CB C 36.768 0.400 1 209 17 22 ILE HB H 1.967 0.020 1 210 17 22 ILE HG2 H 0.969 0.020 1 211 17 22 ILE CG2 C 17.172 0.400 1 212 17 22 ILE CG1 C 29.005 0.400 1 213 17 22 ILE HG12 H 1.708 0.020 2 214 17 22 ILE HG13 H 1.308 0.020 2 215 17 22 ILE HD1 H 0.968 0.020 1 216 17 22 ILE CD1 C 11.952 0.400 1 217 17 22 ILE C C 176.639 0.400 1 218 18 23 LYS N N 118.184 0.400 1 219 18 23 LYS H H 8.267 0.020 1 220 18 23 LYS CA C 59.978 0.400 1 221 18 23 LYS HA H 3.909 0.020 1 222 18 23 LYS CB C 32.191 0.400 1 223 18 23 LYS HB2 H 1.956 0.020 2 224 18 23 LYS HB3 H 1.956 0.020 2 225 18 23 LYS CG C 24.110 0.400 1 226 18 23 LYS HG2 H 1.430 0.020 2 227 18 23 LYS HG3 H 1.430 0.020 2 228 18 23 LYS CD C 28.715 0.400 1 229 18 23 LYS HD2 H 1.595 0.020 2 230 18 23 LYS HD3 H 1.595 0.020 2 231 18 23 LYS CE C 41.565 0.400 1 232 18 23 LYS HE2 H 2.960 0.020 2 233 18 23 LYS HE3 H 2.960 0.020 2 234 18 23 LYS C C 178.185 0.400 1 235 19 24 GLU N N 117.651 0.400 1 236 19 24 GLU H H 7.198 0.020 1 237 19 24 GLU CA C 60.601 0.400 1 238 19 24 GLU HA H 4.056 0.020 1 239 19 24 GLU CB C 28.859 0.400 1 240 19 24 GLU HB2 H 2.056 0.020 2 241 19 24 GLU HB3 H 2.056 0.020 2 242 19 24 GLU CG C 37.861 0.400 1 243 19 24 GLU HG2 H 2.490 0.020 2 244 19 24 GLU HG3 H 2.490 0.020 2 245 19 24 GLU C C 178.542 0.400 1 246 20 25 LEU N N 119.236 0.400 1 247 20 25 LEU H H 7.980 0.020 1 248 20 25 LEU CA C 57.812 0.400 1 249 20 25 LEU HA H 3.947 0.020 1 250 20 25 LEU CB C 42.172 0.400 1 251 20 25 LEU HD1 H 0.874 0.020 2 252 20 25 LEU HD2 H 0.874 0.020 2 253 20 25 LEU C C 178.081 0.400 1 254 21 26 LYS N N 117.457 0.400 1 255 21 26 LYS H H 8.770 0.020 1 256 21 26 LYS CA C 60.741 0.400 1 257 21 26 LYS HA H 3.806 0.020 1 258 21 26 LYS CB C 31.876 0.400 1 259 21 26 LYS C C 177.659 0.400 1 260 22 27 ASP N N 119.023 0.400 1 261 22 27 ASP H H 7.671 0.020 1 262 22 27 ASP CA C 56.971 0.400 1 263 22 27 ASP HA H 4.409 0.020 1 264 22 27 ASP CB C 40.196 0.400 1 265 22 27 ASP HB2 H 2.843 0.020 2 266 22 27 ASP HB3 H 2.843 0.020 2 267 22 27 ASP C C 180.796 0.400 1 268 23 28 ILE N N 119.318 0.400 1 269 23 28 ILE H H 8.039 0.020 1 270 23 28 ILE CA C 65.328 0.400 1 271 23 28 ILE HA H 3.601 0.020 1 272 23 28 ILE CB C 37.309 0.400 1 273 23 28 ILE HB H 1.938 0.020 1 274 23 28 ILE HG2 H 0.883 0.020 1 275 23 28 ILE CG2 C 17.108 0.400 1 276 23 28 ILE CG1 C 28.366 0.400 1 277 23 28 ILE HG12 H 1.773 0.020 2 278 23 28 ILE HG13 H 1.082 0.020 2 279 23 28 ILE HD1 H 0.713 0.020 1 280 23 28 ILE CD1 C 15.132 0.400 1 281 23 28 ILE C C 177.251 0.400 1 282 24 29 LEU N N 120.356 0.400 1 283 24 29 LEU H H 8.220 0.020 1 284 24 29 LEU CA C 58.535 0.400 1 285 24 29 LEU HA H 3.824 0.020 1 286 24 29 LEU CB C 39.478 0.400 1 287 24 29 LEU HD1 H 1.773 0.020 2 288 24 29 LEU HD2 H 1.741 0.020 2 289 24 29 LEU CD1 C 23.979 0.400 1 290 24 29 LEU C C 178.599 0.400 1 291 25 30 ASN N N 117.446 0.400 1 292 25 30 ASN H H 8.687 0.020 1 293 25 30 ASN CA C 56.241 0.400 1 294 25 30 ASN HA H 4.520 0.020 1 295 25 30 ASN CB C 38.899 0.400 1 296 25 30 ASN HB2 H 2.924 0.020 2 297 25 30 ASN HB3 H 3.089 0.020 2 298 25 30 ASN CG C 175.776 0.400 1 299 25 30 ASN ND2 N 114.907 0.400 1 300 25 30 ASN HD21 H 7.934 0.020 2 301 25 30 ASN HD22 H 7.051 0.020 2 302 25 30 ASN C C 178.958 0.400 1 303 26 31 GLN N N 119.946 0.400 1 304 26 31 GLN H H 8.184 0.020 1 305 26 31 GLN CA C 58.779 0.400 1 306 26 31 GLN HA H 4.055 0.020 1 307 26 31 GLN CB C 29.109 0.400 1 308 26 31 GLN HB2 H 2.299 0.020 2 309 26 31 GLN HB3 H 2.173 0.020 2 310 26 31 GLN CG C 34.436 0.400 1 311 26 31 GLN HG2 H 2.301 0.020 2 312 26 31 GLN HG3 H 2.646 0.020 2 313 26 31 GLN CD C 179.038 0.400 1 314 26 31 GLN NE2 N 111.666 0.400 1 315 26 31 GLN HE21 H 7.238 0.020 2 316 26 31 GLN HE22 H 6.847 0.020 2 317 26 31 GLN C C 177.586 0.400 1 318 27 32 LEU N N 116.979 0.400 1 319 27 32 LEU H H 7.893 0.020 1 320 27 32 LEU CA C 54.393 0.400 1 321 27 32 LEU HA H 4.240 0.020 1 322 27 32 LEU CB C 42.566 0.400 1 323 27 32 LEU HB2 H 1.992 0.020 2 324 27 32 LEU HB3 H 1.992 0.020 2 325 27 32 LEU HG H 1.782 0.020 1 326 27 32 LEU HD1 H 0.873 0.020 2 327 27 32 LEU HD2 H 0.807 0.020 2 328 27 32 LEU CD1 C 26.202 0.400 1 329 27 32 LEU C C 175.693 0.400 1 330 28 33 GLY N N 108.299 0.400 1 331 28 33 GLY H H 7.834 0.020 1 332 28 33 GLY CA C 45.707 0.400 1 333 28 33 GLY HA2 H 3.952 0.020 2 334 28 33 GLY HA3 H 3.952 0.020 2 335 28 33 GLY C C 174.317 0.400 1 336 29 34 LEU N N 120.833 0.400 1 337 29 34 LEU H H 7.986 0.020 1 338 29 34 LEU CA C 51.600 0.400 1 339 29 34 LEU HA H 4.760 0.020 1 340 29 34 LEU CB C 43.531 0.400 1 341 29 34 LEU HB2 H 1.284 0.020 2 342 29 34 LEU HB3 H 1.284 0.020 2 343 29 34 LEU HD1 H 0.768 0.020 2 344 29 34 LEU HD2 H 0.786 0.020 2 345 29 34 LEU CD1 C 24.010 0.400 1 346 29 34 LEU CD2 C 22.370 0.400 1 347 30 35 PRO CD C 50.207 0.400 1 348 30 35 PRO CA C 62.741 0.400 1 349 30 35 PRO HA H 4.365 0.020 1 350 30 35 PRO CB C 31.856 0.400 1 351 30 35 PRO HB2 H 2.420 0.020 2 352 30 35 PRO HB3 H 2.420 0.020 2 353 30 35 PRO CG C 27.337 0.400 1 354 30 35 PRO HG2 H 1.963 0.020 2 355 30 35 PRO HG3 H 1.963 0.020 2 356 30 35 PRO HD2 H 3.383 0.020 2 357 30 35 PRO HD3 H 3.383 0.020 2 358 30 35 PRO C C 177.334 0.400 1 359 31 36 LYS N N 117.589 0.400 1 360 31 36 LYS H H 8.380 0.020 1 361 31 36 LYS CA C 55.569 0.400 1 362 31 36 LYS HA H 4.288 0.020 1 363 31 36 LYS CB C 33.225 0.400 1 364 31 36 LYS HB2 H 1.768 0.020 2 365 31 36 LYS HB3 H 1.768 0.020 2 366 31 36 LYS CG C 24.026 0.400 1 367 31 36 LYS HG2 H 1.457 0.020 2 368 31 36 LYS HG3 H 1.457 0.020 2 369 31 36 LYS CD C 29.494 0.400 1 370 31 36 LYS CE C 41.433 0.400 1 371 31 36 LYS HE2 H 3.000 0.020 2 372 31 36 LYS HE3 H 3.000 0.020 2 373 31 36 LYS C C 174.406 0.400 1 374 32 37 GLN N N 118.260 0.400 1 375 32 37 GLN H H 7.698 0.020 1 376 32 37 GLN CA C 55.716 0.400 1 377 32 37 GLN HA H 4.392 0.020 1 378 32 37 GLN CB C 28.251 0.400 1 379 32 37 GLN HB2 H 2.059 0.020 2 380 32 37 GLN HB3 H 2.059 0.020 2 381 32 37 GLN CG C 33.078 0.400 1 382 32 37 GLN HG2 H 2.406 0.020 2 383 32 37 GLN HG3 H 2.406 0.020 2 384 32 37 GLN CD C 180.043 0.400 1 385 32 37 GLN NE2 N 111.990 0.400 1 386 32 37 GLN HE21 H 7.589 0.020 2 387 32 37 GLN HE22 H 6.917 0.020 2 388 32 37 GLN C C 175.122 0.400 1 389 33 38 GLY N N 109.855 0.400 1 390 33 38 GLY H H 8.449 0.020 1 391 33 38 GLY CA C 43.315 0.400 1 392 33 38 GLY HA2 H 4.600 0.020 2 393 33 38 GLY HA3 H 3.803 0.020 2 394 33 38 GLY C C 173.537 0.400 1 395 34 39 LYS N N 117.627 0.400 1 396 34 39 LYS H H 8.649 0.020 1 397 34 39 LYS CA C 54.916 0.400 1 398 34 39 LYS HA H 4.395 0.020 1 399 34 39 LYS CB C 32.893 0.400 1 400 34 39 LYS HB2 H 1.760 0.020 2 401 34 39 LYS HB3 H 1.760 0.020 2 402 34 39 LYS CG C 24.675 0.400 1 403 34 39 LYS HG2 H 1.509 0.020 2 404 34 39 LYS HG3 H 1.509 0.020 2 405 34 39 LYS CD C 28.619 0.400 1 406 34 39 LYS HD2 H 1.739 0.020 2 407 34 39 LYS HD3 H 1.739 0.020 2 408 34 39 LYS CE C 39.909 0.400 1 409 34 39 LYS HE2 H 3.000 0.020 2 410 34 39 LYS HE3 H 3.000 0.020 2 411 34 39 LYS C C 176.803 0.400 1 412 35 40 LYS N N 121.705 0.400 1 413 35 40 LYS H H 8.920 0.020 1 414 35 40 LYS CA C 61.574 0.400 1 415 35 40 LYS HA H 3.599 0.020 1 416 35 40 LYS CB C 31.924 0.400 1 417 35 40 LYS HB2 H 1.769 0.020 2 418 35 40 LYS HB3 H 1.862 0.020 2 419 35 40 LYS CG C 24.667 0.400 1 420 35 40 LYS HG2 H 1.202 0.020 2 421 35 40 LYS HG3 H 1.202 0.020 2 422 35 40 LYS CD C 29.096 0.400 1 423 35 40 LYS HD2 H 1.712 0.020 2 424 35 40 LYS HD3 H 1.712 0.020 2 425 35 40 LYS CE C 41.763 0.400 1 426 35 40 LYS HE2 H 3.010 0.020 2 427 35 40 LYS HE3 H 3.010 0.020 2 428 35 40 LYS C C 177.366 0.400 1 429 36 41 GLN N N 114.634 0.400 1 430 36 41 GLN H H 9.017 0.020 1 431 36 41 GLN CA C 57.636 0.400 1 432 36 41 GLN HA H 3.731 0.020 1 433 36 41 GLN CB C 27.865 0.400 1 434 36 41 GLN HB2 H 2.132 0.020 2 435 36 41 GLN HB3 H 1.809 0.020 2 436 36 41 GLN CG C 33.029 0.400 1 437 36 41 GLN HG2 H 2.471 0.020 2 438 36 41 GLN HG3 H 2.351 0.020 2 439 36 41 GLN CD C 180.016 0.400 1 440 36 41 GLN NE2 N 116.890 0.400 1 441 36 41 GLN HE21 H 8.064 0.020 2 442 36 41 GLN HE22 H 6.908 0.020 2 443 36 41 GLN C C 176.872 0.400 1 444 37 42 ASP N N 115.980 0.400 1 445 37 42 ASP H H 7.047 0.020 1 446 37 42 ASP CA C 56.593 0.400 1 447 37 42 ASP HA H 4.297 0.020 1 448 37 42 ASP CB C 39.839 0.400 1 449 37 42 ASP HB2 H 2.985 0.020 2 450 37 42 ASP HB3 H 2.695 0.020 2 451 37 42 ASP C C 178.454 0.400 1 452 38 43 LEU N N 119.074 0.400 1 453 38 43 LEU H H 7.725 0.020 1 454 38 43 LEU CA C 57.713 0.400 1 455 38 43 LEU HA H 3.787 0.020 1 456 38 43 LEU CB C 40.214 0.400 1 457 38 43 LEU HB2 H 2.091 0.020 2 458 38 43 LEU HB3 H 1.290 0.020 2 459 38 43 LEU CG C 26.110 0.400 1 460 38 43 LEU HG H 1.725 0.020 1 461 38 43 LEU HD1 H 0.735 0.020 2 462 38 43 LEU HD2 H 0.378 0.020 2 463 38 43 LEU CD1 C 26.046 0.400 1 464 38 43 LEU CD2 C 21.136 0.400 1 465 38 43 LEU C C 177.872 0.400 1 466 39 44 ILE N N 118.343 0.400 1 467 39 44 ILE H H 7.867 0.020 1 468 39 44 ILE CA C 66.090 0.400 1 469 39 44 ILE HA H 3.321 0.020 1 470 39 44 ILE CB C 38.013 0.400 1 471 39 44 ILE HB H 1.813 0.020 1 472 39 44 ILE HG2 H 0.853 0.020 1 473 39 44 ILE CG2 C 16.122 0.400 1 474 39 44 ILE HD1 H 0.751 0.020 1 475 39 44 ILE CD1 C 13.312 0.400 1 476 39 44 ILE C C 177.711 0.400 1 477 40 45 ASP N N 118.533 0.400 1 478 40 45 ASP H H 8.503 0.020 1 479 40 45 ASP CA C 57.009 0.400 1 480 40 45 ASP HA H 4.272 0.020 1 481 40 45 ASP CB C 39.419 0.400 1 482 40 45 ASP HB2 H 2.619 0.020 2 483 40 45 ASP HB3 H 2.781 0.020 2 484 40 45 ASP C C 178.392 0.400 1 485 41 46 ARG N N 120.911 0.400 1 486 41 46 ARG H H 7.717 0.020 1 487 41 46 ARG CA C 59.048 0.400 1 488 41 46 ARG HA H 3.991 0.020 1 489 41 46 ARG CB C 29.817 0.400 1 490 41 46 ARG HB2 H 2.083 0.020 2 491 41 46 ARG HB3 H 2.083 0.020 2 492 41 46 ARG CG C 27.551 0.400 1 493 41 46 ARG HG2 H 1.846 0.020 2 494 41 46 ARG HG3 H 1.846 0.020 2 495 41 46 ARG CD C 43.916 0.400 1 496 41 46 ARG NE N 84.467 0.400 1 497 41 46 ARG HE H 7.278 0.020 1 498 41 46 ARG C C 177.537 0.400 1 499 42 47 VAL N N 117.438 0.400 1 500 42 47 VAL H H 7.445 0.020 1 501 42 47 VAL CA C 65.881 0.400 1 502 42 47 VAL HA H 3.442 0.020 1 503 42 47 VAL CB C 30.931 0.400 1 504 42 47 VAL HB H 2.100 0.020 1 505 42 47 VAL HG1 H 0.690 0.020 2 506 42 47 VAL HG2 H 0.884 0.020 2 507 42 47 VAL CG1 C 21.168 0.400 1 508 42 47 VAL CG2 C 22.072 0.400 1 509 42 47 VAL C C 177.671 0.400 1 510 43 48 LEU N N 117.085 0.400 1 511 43 48 LEU H H 8.466 0.020 1 512 43 48 LEU CA C 57.248 0.400 1 513 43 48 LEU HA H 3.847 0.020 1 514 43 48 LEU CB C 40.720 0.400 1 515 43 48 LEU HB2 H 1.789 0.020 2 516 43 48 LEU HB3 H 1.452 0.020 2 517 43 48 LEU CG C 26.032 0.400 1 518 43 48 LEU HG H 1.725 0.020 1 519 43 48 LEU HD1 H 0.874 0.020 2 520 43 48 LEU HD2 H 0.713 0.020 2 521 43 48 LEU CD1 C 22.809 0.400 1 522 43 48 LEU CD2 C 21.561 0.400 1 523 43 48 LEU C C 179.581 0.400 1 524 44 49 ALA N N 120.479 0.400 1 525 44 49 ALA H H 7.953 0.020 1 526 44 49 ALA CA C 53.997 0.400 1 527 44 49 ALA HA H 4.123 0.020 1 528 44 49 ALA HB H 1.462 0.020 1 529 44 49 ALA CB C 17.631 0.400 1 530 44 49 ALA C C 178.926 0.400 1 531 45 50 LEU N N 115.306 0.400 1 532 45 50 LEU H H 7.428 0.020 1 533 45 50 LEU CA C 55.652 0.400 1 534 45 50 LEU HA H 4.219 0.020 1 535 45 50 LEU CB C 41.846 0.400 1 536 45 50 LEU HB2 H 1.980 0.020 2 537 45 50 LEU HB3 H 1.980 0.020 2 538 45 50 LEU CG C 26.454 0.400 1 539 45 50 LEU HG H 1.607 0.020 1 540 45 50 LEU HD1 H 0.921 0.020 2 541 45 50 LEU HD2 H 0.823 0.020 2 542 45 50 LEU CD1 C 21.005 0.400 1 543 45 50 LEU CD2 C 22.621 0.400 1 544 45 50 LEU C C 177.840 0.400 1 545 46 51 LEU N N 115.880 0.400 1 546 46 51 LEU H H 7.642 0.020 1 547 46 51 LEU CA C 54.693 0.400 1 548 46 51 LEU HA H 4.265 0.020 1 549 46 51 LEU CB C 42.040 0.400 1 550 46 51 LEU HB2 H 1.968 0.020 2 551 46 51 LEU HB3 H 1.968 0.020 2 552 46 51 LEU CG C 26.505 0.400 1 553 46 51 LEU HG H 1.598 0.020 1 554 46 51 LEU HD2 H 0.832 0.020 2 555 46 51 LEU CD1 C 22.670 0.400 1 556 46 51 LEU CD2 C 23.457 0.400 1 557 46 51 LEU C C 176.015 0.400 1 558 47 52 THR N N 109.201 0.400 1 559 47 52 THR H H 7.516 0.020 1 560 47 52 THR CA C 60.834 0.400 1 561 47 52 THR HA H 4.348 0.020 1 562 47 52 THR CB C 69.704 0.400 1 563 47 52 THR HB H 4.248 0.020 1 564 47 52 THR HG2 H 1.194 0.020 1 565 47 52 THR CG2 C 20.891 0.400 1 566 47 52 THR C C 173.733 0.400 1 567 48 53 ASP N N 122.188 0.400 1 568 48 53 ASP H H 8.280 0.020 1 569 48 53 ASP CA C 54.185 0.400 1 570 48 53 ASP HA H 4.699 0.020 1 571 48 53 ASP CB C 40.749 0.400 1 572 48 53 ASP HB2 H 2.652 0.020 2 573 48 53 ASP HB3 H 2.785 0.020 2 574 48 53 ASP CG C 179.984 0.400 1 575 48 53 ASP C C 176.000 0.400 1 576 49 54 GLU N N 121.966 0.400 1 577 49 54 GLU H H 8.588 0.020 1 578 49 54 GLU CA C 56.604 0.400 1 579 49 54 GLU HA H 4.229 0.020 1 580 49 54 GLU CB C 29.642 0.400 1 581 49 54 GLU HB2 H 1.936 0.020 2 582 49 54 GLU HB3 H 2.039 0.020 2 583 49 54 GLU CG C 35.710 0.400 1 584 49 54 GLU HG2 H 2.273 0.020 2 585 49 54 GLU HG3 H 2.273 0.020 2 586 49 54 GLU C C 176.589 0.400 1 587 50 55 GLN N N 120.727 0.400 1 588 50 55 GLN H H 8.642 0.020 1 589 50 55 GLN CA C 56.165 0.400 1 590 50 55 GLN HA H 4.226 0.020 1 591 50 55 GLN CB C 28.555 0.400 1 592 50 55 GLN HB2 H 2.021 0.020 2 593 50 55 GLN HB3 H 2.130 0.020 2 594 50 55 GLN CG C 33.313 0.400 1 595 50 55 GLN HG2 H 2.366 0.020 2 596 50 55 GLN HG3 H 2.366 0.020 2 597 50 55 GLN CD C 179.851 0.400 1 598 50 55 GLN NE2 N 112.704 0.400 1 599 50 55 GLN HE21 H 7.627 0.020 2 600 50 55 GLN HE22 H 6.936 0.020 2 601 50 55 GLN C C 176.554 0.400 1 602 51 56 GLY N N 109.357 0.400 1 603 51 56 GLY H H 8.519 0.020 1 604 51 56 GLY CA C 45.276 0.400 1 605 51 56 GLY HA2 H 3.951 0.020 2 606 51 56 GLY HA3 H 3.815 0.020 2 607 51 56 GLY C C 174.146 0.400 1 608 52 57 GLN N N 119.207 0.400 1 609 52 57 GLN H H 8.263 0.020 1 610 52 57 GLN CA C 55.650 0.400 1 611 52 57 GLN HA H 4.217 0.020 1 612 52 57 GLN CB C 28.723 0.400 1 613 52 57 GLN HB2 H 1.932 0.020 2 614 52 57 GLN HB3 H 2.048 0.020 2 615 52 57 GLN CG C 33.358 0.400 1 616 52 57 GLN HG2 H 2.295 0.020 2 617 52 57 GLN HG3 H 2.295 0.020 2 618 52 57 GLN CD C 179.875 0.400 1 619 52 57 GLN NE2 N 112.550 0.400 1 620 52 57 GLN HE21 H 7.551 0.020 2 621 52 57 GLN HE22 H 6.934 0.020 2 622 52 57 GLN C C 175.872 0.400 1 623 53 58 ARG N N 120.525 0.400 1 624 53 58 ARG H H 8.279 0.020 1 625 53 58 ARG CA C 55.854 0.400 1 626 53 58 ARG HA H 4.204 0.020 1 627 53 58 ARG CB C 29.944 0.400 1 628 53 58 ARG HB2 H 1.671 0.020 2 629 53 58 ARG HB3 H 1.671 0.020 2 630 53 58 ARG CG C 26.671 0.400 1 631 53 58 ARG HG2 H 1.533 0.020 2 632 53 58 ARG HG3 H 1.482 0.020 2 633 53 58 ARG CD C 42.770 0.400 1 634 53 58 ARG HD2 H 3.084 0.020 2 635 53 58 ARG HD3 H 3.084 0.020 2 636 53 58 ARG NE N 84.322 0.400 1 637 53 58 ARG HE H 7.229 0.020 1 638 53 58 ARG C C 175.819 0.400 1 639 54 59 HIS N N 118.905 0.400 1 640 54 59 HIS H H 8.397 0.020 1 641 54 59 HIS CA C 55.130 0.400 1 642 54 59 HIS HA H 4.554 0.020 1 643 54 59 HIS CB C 28.953 0.400 1 644 54 59 HIS HB2 H 3.069 0.020 2 645 54 59 HIS HB3 H 2.947 0.020 2 646 54 59 HIS C C 174.248 0.400 1 647 55 60 HIS N N 119.527 0.400 1 648 55 60 HIS H H 8.493 0.020 1 649 55 60 HIS CA C 55.589 0.400 1 650 55 60 HIS HA H 4.553 0.020 1 651 55 60 HIS CB C 28.913 0.400 1 652 55 60 HIS HB2 H 3.082 0.020 2 653 55 60 HIS HB3 H 2.963 0.020 2 654 55 60 HIS C C 174.759 0.400 1 655 56 61 GLY N N 110.215 0.400 1 656 56 61 GLY H H 8.604 0.020 1 657 56 61 GLY CA C 44.977 0.400 1 658 56 61 GLY HA2 H 3.958 0.020 2 659 56 61 GLY HA3 H 3.833 0.020 2 660 56 61 GLY C C 173.752 0.400 1 661 57 62 TRP N N 120.700 0.400 1 662 57 62 TRP H H 8.175 0.020 1 663 57 62 TRP CA C 56.935 0.400 1 664 57 62 TRP HA H 4.658 0.020 1 665 57 62 TRP CB C 29.018 0.400 1 666 57 62 TRP HB2 H 3.243 0.020 2 667 57 62 TRP HB3 H 3.337 0.020 2 668 57 62 TRP CD1 C 126.437 0.400 1 669 57 62 TRP CE3 C 120.312 0.400 1 670 57 62 TRP NE1 N 129.286 0.400 1 671 57 62 TRP HD1 H 7.232 0.020 1 672 57 62 TRP HE3 H 7.569 0.020 1 673 57 62 TRP CZ3 C 119.415 0.400 1 674 57 62 TRP CZ2 C 114.016 0.400 1 675 57 62 TRP HE1 H 10.230 0.020 1 676 57 62 TRP HZ3 H 7.510 0.020 1 677 57 62 TRP CH2 C 123.927 0.400 1 678 57 62 TRP HZ2 H 7.362 0.020 1 679 57 62 TRP HH2 H 7.109 0.020 1 680 57 62 TRP C C 176.442 0.400 1 681 58 63 GLY N N 110.195 0.400 1 682 58 63 GLY H H 8.452 0.020 1 683 58 63 GLY CA C 45.052 0.400 1 684 58 63 GLY HA2 H 3.925 0.020 2 685 58 63 GLY HA3 H 3.833 0.020 2 686 58 63 GLY C C 173.738 0.400 1 687 59 64 ARG N N 120.374 0.400 1 688 59 64 ARG H H 8.136 0.020 1 689 59 64 ARG CA C 55.779 0.400 1 690 59 64 ARG HA H 4.287 0.020 1 691 59 64 ARG CB C 30.244 0.400 1 692 59 64 ARG HB2 H 1.847 0.020 2 693 59 64 ARG HB3 H 1.712 0.020 2 694 59 64 ARG CG C 26.739 0.400 1 695 59 64 ARG HG2 H 1.587 0.020 2 696 59 64 ARG HG3 H 1.587 0.020 2 697 59 64 ARG CD C 42.794 0.400 1 698 59 64 ARG HD2 H 3.170 0.020 2 699 59 64 ARG HD3 H 3.170 0.020 2 700 59 64 ARG NE N 84.319 0.400 1 701 59 64 ARG HE H 7.233 0.020 1 702 59 64 ARG C C 176.269 0.400 1 703 60 65 LYS N N 121.590 0.400 1 704 60 65 LYS H H 8.483 0.020 1 705 60 65 LYS CA C 56.435 0.400 1 706 60 65 LYS HA H 4.226 0.020 1 707 60 65 LYS CB C 32.259 0.400 1 708 60 65 LYS HB2 H 1.781 0.020 2 709 60 65 LYS HB3 H 1.781 0.020 2 710 60 65 LYS CG C 24.337 0.400 1 711 60 65 LYS HG2 H 1.432 0.020 2 712 60 65 LYS HG3 H 1.432 0.020 2 713 60 65 LYS C C 176.075 0.400 1 714 61 66 ASN N N 118.654 0.400 1 715 61 66 ASN H H 8.413 0.020 1 716 61 66 ASN CA C 53.042 0.400 1 717 61 66 ASN HA H 4.651 0.020 1 718 61 66 ASN CB C 38.348 0.400 1 719 61 66 ASN HB2 H 2.804 0.020 2 720 61 66 ASN HB3 H 2.739 0.020 2 721 61 66 ASN CG C 176.400 0.400 1 722 61 66 ASN ND2 N 113.118 0.400 1 723 61 66 ASN HD21 H 7.681 0.020 2 724 61 66 ASN HD22 H 6.924 0.020 2 725 61 66 ASN C C 174.530 0.400 1 726 62 67 SER N N 115.494 0.400 1 727 62 67 SER H H 8.289 0.020 1 728 62 67 SER CA C 58.090 0.400 1 729 62 67 SER HA H 4.294 0.020 1 730 62 67 SER CB C 63.205 0.400 1 731 62 67 SER HB2 H 3.825 0.020 2 732 62 67 SER HB3 H 3.825 0.020 2 733 62 67 SER C C 173.894 0.400 1 734 63 68 LEU N N 123.552 0.400 1 735 63 68 LEU H H 8.063 0.020 1 736 63 68 LEU CA C 54.124 0.400 1 737 63 68 LEU HA H 4.495 0.020 1 738 63 68 LEU CB C 42.447 0.400 1 739 63 68 LEU HB2 H 1.623 0.020 2 740 63 68 LEU HB3 H 1.623 0.020 2 741 63 68 LEU CG C 26.684 0.400 1 742 63 68 LEU HG H 1.622 0.020 1 743 63 68 LEU HD1 H 0.876 0.020 2 744 63 68 LEU HD2 H 0.846 0.020 2 745 63 68 LEU CD1 C 25.449 0.400 1 746 63 68 LEU CD2 C 23.358 0.400 1 747 63 68 LEU C C 176.587 0.400 1 748 64 69 THR N N 112.637 0.400 1 749 64 69 THR H H 7.797 0.020 1 750 64 69 THR CA C 60.021 0.400 1 751 64 69 THR HA H 4.490 0.020 1 752 64 69 THR CB C 70.896 0.400 1 753 64 69 THR HB H 4.774 0.020 1 754 64 69 THR HG2 H 1.363 0.020 1 755 64 69 THR CG2 C 21.508 0.400 1 756 64 69 THR C C 174.998 0.400 1 757 65 70 LYS N N 120.128 0.400 1 758 65 70 LYS H H 9.059 0.020 1 759 65 70 LYS CA C 59.374 0.400 1 760 65 70 LYS HA H 3.941 0.020 1 761 65 70 LYS CB C 31.830 0.400 1 762 65 70 LYS HB2 H 1.825 0.020 2 763 65 70 LYS HB3 H 1.825 0.020 2 764 65 70 LYS CG C 24.520 0.400 1 765 65 70 LYS CD C 29.285 0.400 1 766 65 70 LYS CE C 41.599 0.400 1 767 65 70 LYS C C 177.539 0.400 1 768 66 71 GLU N N 117.667 0.400 1 769 66 71 GLU H H 8.699 0.020 1 770 66 71 GLU CA C 60.307 0.400 1 771 66 71 GLU HA H 3.812 0.020 1 772 66 71 GLU CB C 27.903 0.400 1 773 66 71 GLU HB2 H 2.149 0.020 2 774 66 71 GLU HB3 H 2.149 0.020 2 775 66 71 GLU CG C 37.089 0.400 1 776 66 71 GLU HG2 H 2.505 0.020 2 777 66 71 GLU HG3 H 2.182 0.020 2 778 66 71 GLU CD C 183.610 0.400 1 779 66 71 GLU C C 178.499 0.400 1 780 67 72 ALA N N 123.914 0.400 1 781 67 72 ALA H H 7.991 0.020 1 782 67 72 ALA CA C 54.601 0.400 1 783 67 72 ALA HA H 4.116 0.020 1 784 67 72 ALA HB H 1.572 0.020 1 785 67 72 ALA CB C 18.288 0.400 1 786 67 72 ALA C C 178.721 0.400 1 787 68 73 VAL N N 119.435 0.400 1 788 68 73 VAL H H 8.045 0.020 1 789 68 73 VAL CA C 66.211 0.400 1 790 68 73 VAL HA H 3.470 0.020 1 791 68 73 VAL CB C 31.103 0.400 1 792 68 73 VAL HB H 2.170 0.020 1 793 68 73 VAL HG1 H 0.829 0.020 2 794 68 73 VAL HG2 H 1.044 0.020 2 795 68 73 VAL CG1 C 20.988 0.400 1 796 68 73 VAL CG2 C 22.584 0.400 1 797 68 73 VAL C C 177.001 0.400 1 798 69 74 ALA N N 120.667 0.400 1 799 69 74 ALA H H 8.407 0.020 1 800 69 74 ALA CA C 54.687 0.400 1 801 69 74 ALA HA H 3.981 0.020 1 802 69 74 ALA HB H 1.366 0.020 1 803 69 74 ALA CB C 18.048 0.400 1 804 69 74 ALA C C 178.865 0.400 1 805 70 75 LYS N N 118.628 0.400 1 806 70 75 LYS H H 7.930 0.020 1 807 70 75 LYS CA C 58.914 0.400 1 808 70 75 LYS HA H 4.105 0.020 1 809 70 75 LYS CB C 31.806 0.400 1 810 70 75 LYS HB2 H 1.966 0.020 2 811 70 75 LYS HB3 H 1.899 0.020 2 812 70 75 LYS CG C 24.565 0.400 1 813 70 75 LYS HG2 H 1.438 0.020 2 814 70 75 LYS HG3 H 1.438 0.020 2 815 70 75 LYS CD C 28.534 0.400 1 816 70 75 LYS CE C 41.724 0.400 1 817 70 75 LYS HE2 H 2.787 0.020 2 818 70 75 LYS HE3 H 2.787 0.020 2 819 70 75 LYS C C 177.409 0.400 1 820 71 76 ILE N N 120.231 0.400 1 821 71 76 ILE H H 7.478 0.020 1 822 71 76 ILE CA C 64.835 0.400 1 823 71 76 ILE HA H 3.973 0.020 1 824 71 76 ILE CB C 37.788 0.400 1 825 71 76 ILE HB H 2.032 0.020 1 826 71 76 ILE HG2 H 0.866 0.020 1 827 71 76 ILE CG2 C 17.162 0.400 1 828 71 76 ILE CG1 C 29.427 0.400 1 829 71 76 ILE HG12 H 1.768 0.020 2 830 71 76 ILE HG13 H 1.190 0.020 2 831 71 76 ILE HD1 H 0.817 0.020 1 832 71 76 ILE CD1 C 13.585 0.400 1 833 71 76 ILE C C 179.734 0.400 1 834 72 77 VAL N N 122.505 0.400 1 835 72 77 VAL H H 8.325 0.020 1 836 72 77 VAL CA C 67.425 0.400 1 837 72 77 VAL HA H 3.581 0.020 1 838 72 77 VAL CB C 30.885 0.400 1 839 72 77 VAL HB H 2.421 0.020 1 840 72 77 VAL HG1 H 1.025 0.020 2 841 72 77 VAL HG2 H 0.984 0.020 2 842 72 77 VAL CG1 C 21.444 0.400 1 843 72 77 VAL CG2 C 22.485 0.400 1 844 72 77 VAL C C 176.939 0.400 1 845 73 78 ASP N N 120.524 0.400 1 846 73 78 ASP H H 8.798 0.020 1 847 73 78 ASP CA C 58.163 0.400 1 848 73 78 ASP HA H 4.392 0.020 1 849 73 78 ASP CB C 41.459 0.400 1 850 73 78 ASP HB2 H 2.802 0.020 2 851 73 78 ASP HB3 H 2.761 0.020 2 852 73 78 ASP CG C 178.692 0.400 1 853 73 78 ASP C C 178.122 0.400 1 854 74 79 ASP N N 119.762 0.400 1 855 74 79 ASP H H 9.318 0.020 1 856 74 79 ASP CA C 57.122 0.400 1 857 74 79 ASP HA H 4.405 0.020 1 858 74 79 ASP CB C 39.850 0.400 1 859 74 79 ASP HB2 H 2.910 0.020 2 860 74 79 ASP HB3 H 2.647 0.020 2 861 74 79 ASP CG C 178.649 0.400 1 862 74 79 ASP C C 178.921 0.400 1 863 75 80 THR N N 117.347 0.400 1 864 75 80 THR H H 8.084 0.020 1 865 75 80 THR CA C 67.055 0.400 1 866 75 80 THR HA H 3.846 0.020 1 867 75 80 THR CB C 67.692 0.400 1 868 75 80 THR HB H 4.288 0.020 1 869 75 80 THR HG2 H 0.864 0.020 1 870 75 80 THR CG2 C 20.511 0.400 1 871 75 80 THR C C 175.367 0.400 1 872 76 81 TYR N N 123.735 0.400 1 873 76 81 TYR H H 8.830 0.020 1 874 76 81 TYR CA C 61.712 0.400 1 875 76 81 TYR HA H 4.269 0.020 1 876 76 81 TYR CB C 38.639 0.400 1 877 76 81 TYR HB2 H 3.452 0.020 2 878 76 81 TYR HB3 H 3.268 0.020 2 879 76 81 TYR CD1 C 132.287 0.400 1 880 76 81 TYR C C 176.700 0.400 1 881 77 82 ARG N N 118.508 0.400 1 882 77 82 ARG H H 8.755 0.020 1 883 77 82 ARG CA C 58.776 0.400 1 884 77 82 ARG HA H 3.892 0.020 1 885 77 82 ARG CB C 29.459 0.400 1 886 77 82 ARG HB2 H 1.917 0.020 2 887 77 82 ARG HB3 H 1.917 0.020 2 888 77 82 ARG CG C 27.730 0.400 1 889 77 82 ARG HG2 H 1.917 0.020 2 890 77 82 ARG HG3 H 1.685 0.020 2 891 77 82 ARG CD C 42.703 0.400 1 892 77 82 ARG HD2 H 3.251 0.020 2 893 77 82 ARG HD3 H 3.251 0.020 2 894 77 82 ARG NE N 84.609 0.400 1 895 77 82 ARG HE H 7.540 0.020 1 896 77 82 ARG CZ C 159.043 0.400 1 897 77 82 ARG HH11 H 7.018 0.020 2 898 77 82 ARG HH12 H 7.018 0.020 2 899 77 82 ARG HH21 H 6.629 0.020 2 900 77 82 ARG HH22 H 6.629 0.020 2 901 77 82 ARG C C 178.748 0.400 1 902 78 83 LYS N N 118.075 0.400 1 903 78 83 LYS H H 7.696 0.020 1 904 78 83 LYS CA C 58.614 0.400 1 905 78 83 LYS HA H 4.031 0.020 1 906 78 83 LYS CB C 32.055 0.400 1 907 78 83 LYS HB2 H 1.918 0.020 2 908 78 83 LYS HB3 H 1.918 0.020 2 909 78 83 LYS HE2 H 2.915 0.020 2 910 78 83 LYS HE3 H 2.915 0.020 2 911 78 83 LYS C C 177.890 0.400 1 912 79 84 MET N N 118.233 0.400 1 913 79 84 MET H H 7.748 0.020 1 914 79 84 MET CA C 57.254 0.400 1 915 79 84 MET HA H 4.189 0.020 1 916 79 84 MET CB C 32.169 0.400 1 917 79 84 MET HB2 H 2.139 0.020 2 918 79 84 MET HB3 H 2.068 0.020 2 919 79 84 MET CG C 31.530 0.400 1 920 79 84 MET HG2 H 2.671 0.020 2 921 79 84 MET HG3 H 2.503 0.020 2 922 79 84 MET HE H 1.940 0.020 1 923 79 84 MET CE C 16.661 0.400 1 924 79 84 MET C C 177.036 0.400 1 925 80 85 GLN N N 117.242 0.400 1 926 80 85 GLN H H 7.843 0.020 1 927 80 85 GLN CA C 56.500 0.400 1 928 80 85 GLN HA H 3.993 0.020 1 929 80 85 GLN CB C 28.124 0.400 1 930 80 85 GLN HB2 H 1.966 0.020 2 931 80 85 GLN HB3 H 1.966 0.020 2 932 80 85 GLN CG C 33.048 0.400 1 933 80 85 GLN HG2 H 1.966 0.020 2 934 80 85 GLN HG3 H 1.966 0.020 2 935 80 85 GLN CD C 179.523 0.400 1 936 80 85 GLN NE2 N 112.023 0.400 1 937 80 85 GLN HE21 H 6.625 0.020 2 938 80 85 GLN HE22 H 6.483 0.020 2 939 80 85 GLN C C 176.756 0.400 1 940 81 86 ILE N N 119.178 0.400 1 941 81 86 ILE H H 7.715 0.020 1 942 81 86 ILE CA C 61.995 0.400 1 943 81 86 ILE HA H 3.948 0.020 1 944 81 86 ILE CB C 37.856 0.400 1 945 81 86 ILE HB H 1.825 0.020 1 946 81 86 ILE HG2 H 0.842 0.020 1 947 81 86 ILE CG2 C 16.903 0.400 1 948 81 86 ILE HG12 H 1.492 0.020 2 949 81 86 ILE HG13 H 1.154 0.020 2 950 81 86 ILE HD1 H 0.789 0.020 1 951 81 86 ILE CD1 C 12.527 0.400 1 952 81 86 ILE C C 176.728 0.400 1 953 82 87 GLN N N 121.380 0.400 1 954 82 87 GLN H H 8.164 0.020 1 955 82 87 GLN CA C 56.075 0.400 1 956 82 87 GLN HA H 4.227 0.020 1 957 82 87 GLN CB C 28.735 0.400 1 958 82 87 GLN HB2 H 2.127 0.020 2 959 82 87 GLN HB3 H 2.047 0.020 2 960 82 87 GLN CG C 33.319 0.400 1 961 82 87 GLN HG2 H 2.437 0.020 2 962 82 87 GLN HG3 H 2.370 0.020 2 963 82 87 GLN NE2 N 112.687 0.400 1 964 82 87 GLN HE21 H 7.606 0.020 2 965 82 87 GLN HE22 H 6.934 0.020 2 966 82 87 GLN C C 175.836 0.400 1 967 83 88 CYS N N 118.668 0.400 1 968 83 88 CYS H H 8.238 0.020 1 969 83 88 CYS CA C 58.012 0.400 1 970 83 88 CYS HA H 4.475 0.020 1 971 83 88 CYS CB C 27.697 0.400 1 972 83 88 CYS HB2 H 2.916 0.020 2 973 83 88 CYS HB3 H 2.864 0.020 2 974 83 88 CYS C C 173.428 0.400 1 975 84 89 ALA N N 127.014 0.400 1 976 84 89 ALA H H 8.249 0.020 1 977 84 89 ALA CA C 50.615 0.400 1 978 84 89 ALA HA H 4.562 0.020 1 979 84 89 ALA HB H 1.394 0.020 1 980 84 89 ALA CB C 17.465 0.400 1 981 84 89 ALA C C 175.125 0.400 1 982 85 90 PRO CD C 50.067 0.400 1 983 85 90 PRO CA C 63.085 0.400 1 984 85 90 PRO HA H 4.386 0.020 1 985 85 90 PRO CB C 31.491 0.400 1 986 85 90 PRO HB2 H 2.265 0.020 2 987 85 90 PRO HB3 H 1.867 0.020 2 988 85 90 PRO CG C 27.009 0.400 1 989 85 90 PRO HG2 H 1.994 0.020 2 990 85 90 PRO HG3 H 1.994 0.020 2 991 85 90 PRO HD2 H 3.769 0.020 2 992 85 90 PRO HD3 H 3.647 0.020 2 993 85 90 PRO C C 176.381 0.400 1 994 86 91 ASP N N 119.209 0.400 1 995 86 91 ASP H H 8.429 0.020 1 996 86 91 ASP CA C 53.752 0.400 1 997 86 91 ASP HA H 4.394 0.020 1 998 86 91 ASP CB C 40.319 0.400 1 999 86 91 ASP HB2 H 2.695 0.020 2 1000 86 91 ASP HB3 H 2.654 0.020 2 1001 86 91 ASP C C 176.101 0.400 1 1002 87 92 LEU N N 122.571 0.400 1 1003 87 92 LEU H H 8.208 0.020 1 1004 87 92 LEU CA C 55.327 0.400 1 1005 87 92 LEU HA H 4.205 0.020 1 1006 87 92 LEU CB C 41.636 0.400 1 1007 87 92 LEU HB2 H 1.621 0.020 2 1008 87 92 LEU HB3 H 1.621 0.020 2 1009 87 92 LEU CG C 26.463 0.400 1 1010 87 92 LEU HG H 1.617 0.020 1 1011 87 92 LEU HD1 H 0.877 0.020 2 1012 87 92 LEU HD2 H 0.809 0.020 2 1013 87 92 LEU CD1 C 24.382 0.400 1 1014 87 92 LEU CD2 C 22.822 0.400 1 1015 87 92 LEU C C 177.406 0.400 1 1016 88 93 ALA N N 123.131 0.400 1 1017 88 93 ALA H H 8.305 0.020 1 1018 88 93 ALA CA C 52.823 0.400 1 1019 88 93 ALA HA H 4.245 0.020 1 1020 88 93 ALA HB H 1.411 0.020 1 1021 88 93 ALA CB C 18.496 0.400 1 1022 88 93 ALA C C 178.033 0.400 1 1023 89 94 THR N N 112.097 0.400 1 1024 89 94 THR H H 7.994 0.020 1 1025 89 94 THR CA C 61.892 0.400 1 1026 89 94 THR HA H 4.247 0.020 1 1027 89 94 THR CB C 69.076 0.400 1 1028 89 94 THR HB H 4.229 0.020 1 1029 89 94 THR HG2 H 1.195 0.020 1 1030 89 94 THR CG2 C 21.162 0.400 1 1031 89 94 THR C C 174.478 0.400 1 1032 90 95 ARG N N 122.704 0.400 1 1033 90 95 ARG H H 8.211 0.020 1 1034 90 95 ARG CA C 55.803 0.400 1 1035 90 95 ARG HA H 4.336 0.020 1 1036 90 95 ARG CB C 30.263 0.400 1 1037 90 95 ARG HB2 H 1.743 0.020 2 1038 90 95 ARG HB3 H 1.839 0.020 2 1039 90 95 ARG CG C 26.514 0.400 1 1040 90 95 ARG HG2 H 1.629 0.020 2 1041 90 95 ARG HG3 H 1.629 0.020 2 1042 90 95 ARG CD C 42.887 0.400 1 1043 90 95 ARG HD2 H 3.138 0.020 2 1044 90 95 ARG HD3 H 3.138 0.020 2 1045 90 95 ARG NE N 84.345 0.400 1 1046 90 95 ARG HE H 7.232 0.020 1 1047 90 95 ARG C C 175.958 0.400 1 1048 91 96 SER N N 116.390 0.400 1 1049 91 96 SER H H 8.365 0.020 1 1050 91 96 SER CA C 58.011 0.400 1 1051 91 96 SER HA H 4.383 0.020 1 1052 91 96 SER CB C 63.261 0.400 1 1053 91 96 SER HB2 H 3.819 0.020 2 1054 91 96 SER HB3 H 3.819 0.020 2 1055 91 96 SER C C 174.016 0.400 1 1056 92 97 HIS N N 120.507 0.400 1 1057 92 97 HIS H H 8.541 0.020 1 1058 92 97 HIS CA C 55.068 0.400 1 1059 92 97 HIS HA H 4.707 0.020 1 1060 92 97 HIS CB C 28.839 0.400 1 1061 92 97 HIS HB2 H 3.230 0.020 2 1062 92 97 HIS HB3 H 3.126 0.020 2 1063 92 97 HIS C C 174.186 0.400 1 1064 93 98 SER N N 116.801 0.400 1 1065 93 98 SER H H 8.455 0.020 1 1066 93 98 SER CA C 58.046 0.400 1 1067 93 98 SER HA H 4.450 0.020 1 1068 93 98 SER CB C 63.434 0.400 1 1069 93 98 SER HB2 H 3.853 0.020 2 1070 93 98 SER HB3 H 3.853 0.020 2 1071 93 98 SER C C 174.553 0.400 1 1072 94 99 GLY N N 111.114 0.400 1 1073 94 99 GLY H H 8.597 0.020 1 1074 94 99 GLY CA C 44.888 0.400 1 1075 94 99 GLY HA2 H 3.998 0.020 2 1076 94 99 GLY HA3 H 3.998 0.020 2 1077 94 99 GLY C C 173.856 0.400 1 1078 95 100 SER N N 115.398 0.400 1 1079 95 100 SER H H 8.311 0.020 1 1080 95 100 SER CA C 57.909 0.400 1 1081 95 100 SER HA H 4.422 0.020 1 1082 95 100 SER CB C 63.377 0.400 1 1083 95 100 SER HB2 H 3.796 0.020 2 1084 95 100 SER HB3 H 3.796 0.020 2 1085 95 100 SER C C 173.695 0.400 1 1086 96 101 ASP N N 121.810 0.400 1 1087 96 101 ASP H H 8.380 0.020 1 1088 96 101 ASP CA C 53.797 0.400 1 1089 96 101 ASP HA H 4.546 0.020 1 1090 96 101 ASP CB C 40.440 0.400 1 1091 96 101 ASP HB2 H 2.515 0.020 2 1092 96 101 ASP HB3 H 2.618 0.020 2 1093 96 101 ASP C C 175.547 0.400 1 1094 97 102 PHE N N 120.706 0.400 1 1095 97 102 PHE H H 8.249 0.020 1 1096 97 102 PHE CA C 57.444 0.400 1 1097 97 102 PHE HA H 4.546 0.020 1 1098 97 102 PHE CB C 38.772 0.400 1 1099 97 102 PHE HB2 H 3.088 0.020 2 1100 97 102 PHE HB3 H 2.949 0.020 2 1101 97 102 PHE CD1 C 131.380 0.400 1 1102 97 102 PHE HD1 H 7.157 0.020 1 1103 97 102 PHE HD2 H 7.157 0.020 1 1104 97 102 PHE C C 175.312 0.400 1 1105 98 103 SER N N 116.992 0.400 1 1106 98 103 SER H H 8.167 0.020 1 1107 98 103 SER CA C 57.983 0.400 1 1108 98 103 SER HA H 4.314 0.020 1 1109 98 103 SER CB C 63.384 0.400 1 1110 98 103 SER HB2 H 3.725 0.020 2 1111 98 103 SER HB3 H 3.725 0.020 2 1112 98 103 SER C C 173.286 0.400 1 1113 99 104 PHE N N 122.000 0.400 1 1114 99 104 PHE H H 8.170 0.020 1 1115 99 104 PHE CA C 57.354 0.400 1 1116 99 104 PHE HA H 4.545 0.020 1 1117 99 104 PHE CB C 39.045 0.400 1 1118 99 104 PHE HB2 H 3.037 0.020 2 1119 99 104 PHE HB3 H 3.037 0.020 2 1120 99 104 PHE CD1 C 131.395 0.400 1 1121 99 104 PHE HD1 H 7.209 0.020 1 1122 99 104 PHE HD2 H 7.209 0.020 1 1123 99 104 PHE C C 174.621 0.400 1 1124 100 105 ARG N N 124.796 0.400 1 1125 100 105 ARG H H 8.101 0.020 1 1126 100 105 ARG CA C 52.919 0.400 1 1127 100 105 ARG HA H 4.542 0.020 1 1128 100 105 ARG CB C 29.973 0.400 1 1129 100 105 ARG HB2 H 1.717 0.020 2 1130 100 105 ARG HB3 H 1.717 0.020 2 1131 100 105 ARG CG C 26.151 0.400 1 1132 100 105 ARG HG2 H 1.540 0.020 2 1133 100 105 ARG HG3 H 1.540 0.020 2 1134 100 105 ARG CD C 42.805 0.400 1 1135 100 105 ARG HD2 H 3.142 0.020 2 1136 100 105 ARG HD3 H 3.142 0.020 2 1137 100 105 ARG C C 172.924 0.400 1 1138 101 106 PRO CD C 50.090 0.400 1 1139 101 106 PRO CA C 62.366 0.400 1 1140 101 106 PRO HA H 4.349 0.020 1 1141 101 106 PRO CB C 31.609 0.400 1 1142 101 106 PRO HB2 H 2.267 0.020 2 1143 101 106 PRO HB3 H 1.854 0.020 2 1144 101 106 PRO CG C 26.991 0.400 1 1145 101 106 PRO HG2 H 1.962 0.020 2 1146 101 106 PRO HG3 H 1.962 0.020 2 1147 101 106 PRO HD2 H 3.596 0.020 2 1148 101 106 PRO HD3 H 3.551 0.020 2 1149 101 106 PRO C C 176.395 0.400 1 1150 102 107 ILE N N 121.380 0.400 1 1151 102 107 ILE H H 8.350 0.020 1 1152 102 107 ILE CA C 60.925 0.400 1 1153 102 107 ILE HA H 4.050 0.020 1 1154 102 107 ILE CB C 38.165 0.400 1 1155 102 107 ILE HB H 1.820 0.020 1 1156 102 107 ILE HG2 H 0.883 0.020 1 1157 102 107 ILE CG2 C 17.057 0.400 1 1158 102 107 ILE CG1 C 26.989 0.400 1 1159 102 107 ILE HG12 H 1.486 0.020 2 1160 102 107 ILE HG13 H 1.195 0.020 2 1161 102 107 ILE HD1 H 0.885 0.020 1 1162 102 107 ILE CD1 C 12.600 0.400 1 1163 102 107 ILE C C 175.990 0.400 1 1164 103 108 GLU N N 124.836 0.400 1 1165 103 108 GLU H H 8.578 0.020 1 1166 103 108 GLU CA C 55.915 0.400 1 1167 103 108 GLU HA H 4.279 0.020 1 1168 103 108 GLU CB C 29.902 0.400 1 1169 103 108 GLU HB2 H 1.906 0.020 2 1170 103 108 GLU HB3 H 1.906 0.020 2 1171 103 108 GLU CG C 35.729 0.400 1 1172 103 108 GLU HG2 H 2.239 0.020 2 1173 103 108 GLU HG3 H 2.239 0.020 2 1174 103 108 GLU C C 175.678 0.400 1 1175 104 109 GLU N N 122.847 0.400 1 1176 104 109 GLU H H 8.459 0.020 1 1177 104 109 GLU CA C 55.845 0.400 1 1178 104 109 GLU HA H 4.273 0.020 1 1179 104 109 GLU CB C 29.990 0.400 1 1180 104 109 GLU HB2 H 1.889 0.020 2 1181 104 109 GLU HB3 H 1.889 0.020 2 1182 104 109 GLU CG C 35.740 0.400 1 1183 104 109 GLU HG2 H 2.240 0.020 2 1184 104 109 GLU HG3 H 2.240 0.020 2 1185 104 109 GLU C C 174.661 0.400 1 1186 105 110 ALA N N 131.124 0.400 1 1187 105 110 ALA H H 8.096 0.020 1 1188 105 110 ALA CA C 53.433 0.400 1 1189 105 110 ALA HA H 4.083 0.020 1 1190 105 110 ALA HB H 1.320 0.020 1 1191 105 110 ALA CB C 19.505 0.400 1 1192 105 110 ALA C C 182.321 0.400 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-13C HSQC' '3D HCCH-TOCSY' '4D 1H-13C NOESY' '3D HCABGCO' stop_ loop_ _Sample_label $13C_15N_in_100%_D2O stop_ _Sample_conditions_label $pH_6.1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Siz1 1-105' _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 -5 1 GLY CA C 42.872 0.400 1 2 -5 1 GLY C C 169.813 0.400 1 3 -4 2 SER N N 115.528 0.400 1 4 -4 2 SER H H 8.751 0.020 1 5 -4 2 SER CA C 57.687 0.400 1 6 -4 2 SER HA H 4.451 0.020 1 7 -4 2 SER CB C 63.389 0.400 1 8 -4 2 SER C C 173.913 0.400 1 9 -3 3 HIS N N 120.998 0.400 1 10 -3 3 HIS H H 8.769 0.020 1 11 -3 3 HIS CA C 55.010 0.400 1 12 -3 3 HIS HA H 4.707 0.020 1 13 -3 3 HIS CB C 28.916 0.400 1 14 -3 3 HIS HB2 H 3.226 0.020 2 15 -3 3 HIS HB3 H 3.143 0.020 2 16 -3 3 HIS C C 174.207 0.400 1 17 -2 4 MET N N 122.227 0.400 1 18 -2 4 MET H H 8.518 0.020 1 19 -2 4 MET CA C 55.014 0.400 1 20 -2 4 MET HA H 4.418 0.020 1 21 -2 4 MET CB C 32.678 0.400 1 22 -2 4 MET HB2 H 2.027 0.020 2 23 -2 4 MET HB3 H 1.949 0.020 2 24 -2 4 MET CG C 31.454 0.400 1 25 -2 4 MET HG2 H 2.547 0.020 2 26 -2 4 MET HG3 H 2.491 0.020 2 27 -2 4 MET HE H 2.045 0.020 1 28 -2 4 MET CE C 16.522 0.400 1 29 -2 4 MET C C 175.481 0.400 1 30 -1 5 ALA N N 125.937 0.400 1 31 -1 5 ALA H H 8.651 0.020 1 32 -1 5 ALA CA C 52.228 0.400 1 33 -1 5 ALA HA H 4.313 0.020 1 34 -1 5 ALA HB H 1.418 0.020 1 35 -1 5 ALA CB C 18.649 0.400 1 36 -1 5 ALA C C 177.820 0.400 1 37 1 6 SER N N 115.885 0.400 1 38 1 6 SER H H 8.537 0.020 1 39 1 6 SER CA C 58.871 0.400 1 40 1 6 SER HA H 4.284 0.020 1 41 1 6 SER CB C 62.652 0.400 1 42 1 6 SER HB2 H 3.913 0.020 2 43 1 6 SER HB3 H 3.875 0.020 2 44 1 6 SER C C 174.570 0.400 1 45 2 7 ALA N N 124.549 0.400 1 46 2 7 ALA H H 8.453 0.020 1 47 2 7 ALA CA C 53.221 0.400 1 48 2 7 ALA HA H 4.194 0.020 1 49 2 7 ALA HB H 1.384 0.020 1 50 2 7 ALA CB C 18.431 0.400 1 51 2 7 ALA C C 178.162 0.400 1 52 3 8 ASP N N 118.618 0.400 1 53 3 8 ASP H H 8.064 0.020 1 54 3 8 ASP CA C 54.124 0.400 1 55 3 8 ASP HA H 4.539 0.020 1 56 3 8 ASP CB C 40.341 0.400 1 57 3 8 ASP HB2 H 2.715 0.020 2 58 3 8 ASP HB3 H 2.715 0.020 2 59 3 8 ASP C C 176.694 0.400 1 60 4 9 LEU N N 123.427 0.400 1 61 4 9 LEU H H 8.202 0.020 1 62 4 9 LEU CA C 57.495 0.400 1 63 4 9 LEU HA H 4.086 0.020 1 64 4 9 LEU CB C 41.905 0.400 1 65 4 9 LEU HB2 H 1.623 0.020 2 66 4 9 LEU HB3 H 1.754 0.020 2 67 4 9 LEU CG C 26.475 0.400 1 68 4 9 LEU HG H 1.586 0.020 1 69 4 9 LEU HD1 H 0.843 0.020 2 70 4 9 LEU HD2 H 0.814 0.020 2 71 4 9 LEU CD1 C 24.341 0.400 1 72 4 9 LEU C C 178.839 0.400 1 73 5 10 VAL N N 119.385 0.400 1 74 5 10 VAL H H 8.186 0.020 1 75 5 10 VAL CA C 66.585 0.400 1 76 5 10 VAL HA H 3.420 0.020 1 77 5 10 VAL CB C 31.177 0.400 1 78 5 10 VAL HB H 2.121 0.020 1 79 5 10 VAL HG1 H 0.882 0.020 2 80 5 10 VAL HG2 H 0.966 0.020 2 81 5 10 VAL CG1 C 21.062 0.400 1 82 5 10 VAL CG2 C 22.732 0.400 1 83 5 10 VAL C C 177.439 0.400 1 84 6 11 SER N N 115.027 0.400 1 85 6 11 SER H H 8.252 0.020 1 86 6 11 SER CA C 61.152 0.400 1 87 6 11 SER HA H 4.055 0.020 1 88 6 11 SER CB C 62.161 0.400 1 89 6 11 SER HB2 H 3.889 0.020 2 90 6 11 SER HB3 H 3.889 0.020 2 91 6 11 SER C C 176.036 0.400 1 92 7 12 SER N N 115.144 0.400 1 93 7 12 SER H H 8.053 0.020 1 94 7 12 SER CA C 60.168 0.400 1 95 7 12 SER HA H 4.284 0.020 1 96 7 12 SER CB C 62.706 0.400 1 97 7 12 SER HB2 H 3.933 0.020 2 98 7 12 SER HB3 H 3.933 0.020 2 99 7 12 SER C C 176.540 0.400 1 100 8 13 CYS N N 118.211 0.400 1 101 8 13 CYS H H 7.919 0.020 1 102 8 13 CYS CA C 63.651 0.400 1 103 8 13 CYS HA H 4.026 0.020 1 104 8 13 CYS CB C 26.641 0.400 1 105 8 13 CYS HB2 H 3.038 0.020 2 106 8 13 CYS HB3 H 2.437 0.020 2 107 8 13 CYS C C 175.645 0.400 1 108 9 14 LYS N N 120.074 0.400 1 109 9 14 LYS H H 8.632 0.020 1 110 9 14 LYS CA C 60.441 0.400 1 111 9 14 LYS HA H 3.672 0.020 1 112 9 14 LYS CB C 31.685 0.400 1 113 9 14 LYS HB2 H 1.838 0.020 2 114 9 14 LYS HB3 H 1.910 0.020 2 115 9 14 LYS CG C 25.017 0.400 1 116 9 14 LYS HG2 H 1.415 0.020 2 117 9 14 LYS HG3 H 1.335 0.020 2 118 9 14 LYS CD C 29.007 0.400 1 119 9 14 LYS HD2 H 1.635 0.020 2 120 9 14 LYS HD3 H 1.605 0.020 2 121 9 14 LYS CE C 41.546 0.400 1 122 9 14 LYS HE2 H 2.868 0.020 2 123 9 14 LYS HE3 H 2.845 0.020 2 124 9 14 LYS C C 177.615 0.400 1 125 10 15 ASP N N 117.613 0.400 1 126 10 15 ASP H H 7.732 0.020 1 127 10 15 ASP CA C 56.175 0.400 1 128 10 15 ASP HA H 4.307 0.020 1 129 10 15 ASP CB C 40.056 0.400 1 130 10 15 ASP HB2 H 2.620 0.020 2 131 10 15 ASP HB3 H 2.668 0.020 2 132 10 15 ASP C C 177.650 0.400 1 133 11 16 LYS N N 117.878 0.400 1 134 11 16 LYS H H 7.254 0.020 1 135 11 16 LYS CA C 58.962 0.400 1 136 11 16 LYS HA H 3.645 0.020 1 137 11 16 LYS CB C 32.951 0.400 1 138 11 16 LYS HB2 H 1.208 0.020 2 139 11 16 LYS HB3 H 1.208 0.020 2 140 11 16 LYS CG C 25.480 0.400 1 141 11 16 LYS HG2 H -0.054 0.020 2 142 11 16 LYS HG3 H -0.083 0.020 2 143 11 16 LYS CE C 41.750 0.400 1 144 11 16 LYS HE2 H 2.494 0.020 2 145 11 16 LYS HE3 H 2.494 0.020 2 146 11 16 LYS C C 177.263 0.400 1 147 12 17 LEU N N 115.652 0.400 1 148 12 17 LEU H H 8.138 0.020 1 149 12 17 LEU CA C 56.726 0.400 1 150 12 17 LEU HA H 3.579 0.020 1 151 12 17 LEU CB C 41.959 0.400 1 152 12 17 LEU HB2 H 1.718 0.020 2 153 12 17 LEU HB3 H 1.792 0.020 2 154 12 17 LEU HD1 H 0.747 0.020 2 155 12 17 LEU HD2 H 0.689 0.020 2 156 12 17 LEU CD1 C 26.143 0.400 1 157 12 17 LEU CD2 C 23.586 0.400 1 158 12 17 LEU C C 177.485 0.400 1 159 13 18 ALA N N 116.044 0.400 1 160 13 18 ALA H H 7.080 0.020 1 161 13 18 ALA CA C 53.389 0.400 1 162 13 18 ALA HA H 3.963 0.020 1 163 13 18 ALA HB H 1.278 0.020 1 164 13 18 ALA CB C 18.161 0.400 1 165 13 18 ALA C C 178.207 0.400 1 166 14 19 TYR N N 115.556 0.400 1 167 14 19 TYR H H 7.675 0.020 1 168 14 19 TYR CA C 58.647 0.400 1 169 14 19 TYR HA H 4.304 0.020 1 170 14 19 TYR CB C 38.609 0.400 1 171 14 19 TYR HB2 H 3.236 0.020 2 172 14 19 TYR HB3 H 3.054 0.020 2 173 14 19 TYR CD1 C 133.087 0.400 1 174 14 19 TYR HD1 H 7.276 0.020 1 175 14 19 TYR CE1 C 117.811 0.400 1 176 14 19 TYR HE1 H 6.781 0.020 1 177 14 19 TYR HE2 H 6.781 0.020 1 178 14 19 TYR HD2 H 7.276 0.020 1 179 14 19 TYR C C 175.911 0.400 1 180 15 20 PHE N N 118.275 0.400 1 181 15 20 PHE H H 7.406 0.020 1 182 15 20 PHE CA C 56.615 0.400 1 183 15 20 PHE HA H 4.649 0.020 1 184 15 20 PHE CB C 38.750 0.400 1 185 15 20 PHE HB2 H 3.227 0.020 2 186 15 20 PHE HB3 H 3.558 0.020 2 187 15 20 PHE CD1 C 130.808 0.400 1 188 15 20 PHE HD1 H 7.429 0.020 1 189 15 20 PHE CE1 C 130.315 0.400 1 190 15 20 PHE HE1 H 7.197 0.020 1 191 15 20 PHE CZ C 128.445 0.400 1 192 15 20 PHE HZ H 7.649 0.020 1 193 15 20 PHE HE2 H 7.197 0.020 1 194 15 20 PHE HD2 H 7.429 0.020 1 195 15 20 PHE C C 176.160 0.400 1 196 16 21 ARG N N 119.140 0.400 1 197 16 21 ARG H H 8.714 0.020 1 198 16 21 ARG CA C 54.349 0.400 1 199 16 21 ARG HA H 4.751 0.020 1 200 16 21 ARG CB C 30.097 0.400 1 201 16 21 ARG HB2 H 2.299 0.020 2 202 16 21 ARG HB3 H 2.228 0.020 2 203 16 21 ARG CG C 27.508 0.400 1 204 16 21 ARG HG2 H 1.853 0.020 2 205 16 21 ARG HG3 H 1.853 0.020 2 206 16 21 ARG CD C 42.598 0.400 1 207 16 21 ARG HD2 H 3.418 0.020 2 208 16 21 ARG HD3 H 3.291 0.020 2 209 16 21 ARG NE N 84.463 0.400 1 210 16 21 ARG HE H 8.185 0.020 1 211 16 21 ARG CZ C 159.351 0.400 1 212 16 21 ARG HH11 H 7.203 0.020 2 213 16 21 ARG HH12 H 7.203 0.020 2 214 16 21 ARG HH21 H 6.894 0.020 2 215 16 21 ARG HH22 H 6.894 0.020 2 216 16 21 ARG C C 177.095 0.400 1 217 17 22 ILE N N 120.734 0.400 1 218 17 22 ILE H H 8.708 0.020 1 219 17 22 ILE CA C 65.145 0.400 1 220 17 22 ILE HA H 3.720 0.020 1 221 17 22 ILE CB C 36.857 0.400 1 222 17 22 ILE HB H 1.981 0.020 1 223 17 22 ILE HG2 H 0.961 0.020 1 224 17 22 ILE CG2 C 17.214 0.400 1 225 17 22 ILE CG1 C 29.187 0.400 1 226 17 22 ILE HG12 H 1.698 0.020 2 227 17 22 ILE HG13 H 1.287 0.020 2 228 17 22 ILE HD1 H 0.969 0.020 1 229 17 22 ILE CD1 C 12.082 0.400 1 230 17 22 ILE C C 176.745 0.400 1 231 18 23 LYS N N 118.184 0.400 1 232 18 23 LYS H H 8.267 0.020 1 233 18 23 LYS CA C 59.829 0.400 1 234 18 23 LYS HA H 3.897 0.020 1 235 18 23 LYS CB C 32.268 0.400 1 236 18 23 LYS HB2 H 1.945 0.020 2 237 18 23 LYS HB3 H 1.575 0.020 2 238 18 23 LYS CG C 24.403 0.400 1 239 18 23 LYS HG2 H 1.422 0.020 2 240 18 23 LYS HG3 H 1.422 0.020 2 241 18 23 LYS CD C 28.822 0.400 1 242 18 23 LYS HD2 H 1.625 0.020 2 243 18 23 LYS HD3 H 1.625 0.020 2 244 18 23 LYS CE C 41.398 0.400 1 245 18 23 LYS HE2 H 2.950 0.020 2 246 18 23 LYS HE3 H 2.950 0.020 2 247 18 23 LYS C C 178.159 0.400 1 248 19 24 GLU N N 117.654 0.400 1 249 19 24 GLU H H 7.198 0.020 1 250 19 24 GLU CA C 60.612 0.400 1 251 19 24 GLU HA H 4.030 0.020 1 252 19 24 GLU CB C 28.859 0.400 1 253 19 24 GLU HB2 H 2.049 0.020 2 254 19 24 GLU HB3 H 2.049 0.020 2 255 19 24 GLU CG C 38.175 0.400 1 256 19 24 GLU HG2 H 2.465 0.020 2 257 19 24 GLU HG3 H 2.465 0.020 2 258 19 24 GLU C C 178.521 0.400 1 259 20 25 LEU N N 119.236 0.400 1 260 20 25 LEU H H 7.980 0.020 1 261 20 25 LEU CA C 57.676 0.400 1 262 20 25 LEU HA H 3.904 0.020 1 263 20 25 LEU CB C 42.218 0.400 1 264 20 25 LEU HD1 H 0.875 0.020 2 265 20 25 LEU HD2 H 0.875 0.020 2 266 20 25 LEU C C 177.990 0.400 1 267 21 26 LYS N N 117.457 0.400 1 268 21 26 LYS H H 8.770 0.020 1 269 21 26 LYS CA C 60.660 0.400 1 270 21 26 LYS HA H 3.787 0.020 1 271 21 26 LYS CB C 31.876 0.400 1 272 21 26 LYS C C 177.625 0.400 1 273 22 27 ASP N N 119.023 0.400 1 274 22 27 ASP H H 7.671 0.020 1 275 22 27 ASP CA C 56.974 0.400 1 276 22 27 ASP HA H 4.392 0.020 1 277 22 27 ASP CB C 40.250 0.400 1 278 22 27 ASP HB2 H 2.834 0.020 2 279 22 27 ASP HB3 H 2.834 0.020 2 280 22 27 ASP C C 180.796 0.400 1 281 23 28 ILE N N 119.318 0.400 1 282 23 28 ILE H H 8.039 0.020 1 283 23 28 ILE CA C 65.365 0.400 1 284 23 28 ILE HA H 3.587 0.020 1 285 23 28 ILE CB C 37.408 0.400 1 286 23 28 ILE HB H 1.929 0.020 1 287 23 28 ILE HG2 H 0.845 0.020 1 288 23 28 ILE CG2 C 17.163 0.400 1 289 23 28 ILE CG1 C 28.095 0.400 1 290 23 28 ILE HG12 H 1.774 0.020 2 291 23 28 ILE HG13 H 1.082 0.020 2 292 23 28 ILE HD1 H 0.712 0.020 1 293 23 28 ILE CD1 C 15.254 0.400 1 294 23 28 ILE C C 177.265 0.400 1 295 24 29 LEU N N 120.356 0.400 1 296 24 29 LEU H H 8.220 0.020 1 297 24 29 LEU CA C 58.562 0.400 1 298 24 29 LEU HA H 3.806 0.020 1 299 24 29 LEU CB C 39.477 0.400 1 300 24 29 LEU HD1 H 1.773 0.020 2 301 24 29 LEU HD2 H 1.741 0.020 2 302 24 29 LEU CD1 C 23.979 0.400 1 303 24 29 LEU C C 178.572 0.400 1 304 25 30 ASN N N 117.446 0.400 1 305 25 30 ASN H H 8.688 0.020 1 306 25 30 ASN CA C 56.092 0.400 1 307 25 30 ASN HA H 4.493 0.020 1 308 25 30 ASN CB C 38.809 0.400 1 309 25 30 ASN HB2 H 2.914 0.020 2 310 25 30 ASN HB3 H 3.093 0.020 2 311 25 30 ASN CG C 175.851 0.400 1 312 25 30 ASN ND2 N 114.908 0.400 1 313 25 30 ASN HD21 H 7.934 0.020 2 314 25 30 ASN HD22 H 7.051 0.020 2 315 25 30 ASN C C 178.884 0.400 1 316 26 31 GLN N N 119.946 0.400 1 317 26 31 GLN H H 8.184 0.020 1 318 26 31 GLN CA C 58.786 0.400 1 319 26 31 GLN HA H 4.041 0.020 1 320 26 31 GLN CB C 29.089 0.400 1 321 26 31 GLN HB2 H 2.300 0.020 2 322 26 31 GLN HB3 H 2.173 0.020 2 323 26 31 GLN CG C 34.499 0.400 1 324 26 31 GLN HG2 H 2.309 0.020 2 325 26 31 GLN HG3 H 2.627 0.020 2 326 26 31 GLN CD C 179.101 0.400 1 327 26 31 GLN NE2 N 111.666 0.400 1 328 26 31 GLN HE21 H 7.238 0.020 2 329 26 31 GLN HE22 H 6.847 0.020 2 330 26 31 GLN C C 177.656 0.400 1 331 27 32 LEU N N 116.979 0.400 1 332 27 32 LEU H H 7.893 0.020 1 333 27 32 LEU CA C 54.545 0.400 1 334 27 32 LEU HA H 4.227 0.020 1 335 27 32 LEU CB C 42.063 0.400 1 336 27 32 LEU HB2 H 2.018 0.020 2 337 27 32 LEU HB3 H 2.018 0.020 2 338 27 32 LEU HG H 1.782 0.020 1 339 27 32 LEU HD1 H 0.898 0.020 2 340 27 32 LEU HD2 H 0.783 0.020 2 341 27 32 LEU CD1 C 26.577 0.400 1 342 27 32 LEU C C 175.733 0.400 1 343 28 33 GLY N N 108.299 0.400 1 344 28 33 GLY H H 7.834 0.020 1 345 28 33 GLY CA C 45.707 0.400 1 346 28 33 GLY HA2 H 3.952 0.020 2 347 28 33 GLY HA3 H 3.952 0.020 2 348 28 33 GLY C C 174.317 0.400 1 349 29 34 LEU N N 120.833 0.400 1 350 29 34 LEU H H 7.986 0.020 1 351 29 34 LEU CA C 51.558 0.400 1 352 29 34 LEU HA H 4.744 0.020 1 353 29 34 LEU CB C 43.525 0.400 1 354 29 34 LEU HB2 H 1.255 0.020 2 355 29 34 LEU HB3 H 1.255 0.020 2 356 29 34 LEU HD1 H 0.768 0.020 2 357 29 34 LEU HD2 H 0.785 0.020 2 358 29 34 LEU CD1 C 24.404 0.400 1 359 29 34 LEU CD2 C 22.409 0.400 1 360 30 35 PRO CD C 50.388 0.400 1 361 30 35 PRO CA C 62.707 0.400 1 362 30 35 PRO HA H 4.351 0.020 1 363 30 35 PRO CB C 31.919 0.400 1 364 30 35 PRO HB2 H 2.404 0.020 2 365 30 35 PRO HB3 H 2.404 0.020 2 366 30 35 PRO CG C 27.349 0.400 1 367 30 35 PRO HG2 H 1.919 0.020 2 368 30 35 PRO HG3 H 1.919 0.020 2 369 30 35 PRO HD2 H 3.360 0.020 2 370 30 35 PRO HD3 H 3.360 0.020 2 371 30 35 PRO C C 177.488 0.400 1 372 31 36 LYS N N 117.590 0.400 1 373 31 36 LYS H H 8.380 0.020 1 374 31 36 LYS CA C 55.660 0.400 1 375 31 36 LYS HA H 4.286 0.020 1 376 31 36 LYS CB C 33.239 0.400 1 377 31 36 LYS HB2 H 1.791 0.020 2 378 31 36 LYS HB3 H 1.791 0.020 2 379 31 36 LYS CG C 24.026 0.400 1 380 31 36 LYS HG2 H 1.457 0.020 2 381 31 36 LYS HG3 H 1.457 0.020 2 382 31 36 LYS CD C 29.355 0.400 1 383 31 36 LYS CE C 41.254 0.400 1 384 31 36 LYS HE2 H 2.997 0.020 2 385 31 36 LYS HE3 H 2.997 0.020 2 386 31 36 LYS C C 174.384 0.400 1 387 32 37 GLN N N 118.260 0.400 1 388 32 37 GLN H H 7.698 0.020 1 389 32 37 GLN CA C 55.550 0.400 1 390 32 37 GLN HA H 4.376 0.020 1 391 32 37 GLN CB C 28.221 0.400 1 392 32 37 GLN HB2 H 2.050 0.020 2 393 32 37 GLN HB3 H 2.050 0.020 2 394 32 37 GLN CG C 33.097 0.400 1 395 32 37 GLN HG2 H 2.398 0.020 2 396 32 37 GLN HG3 H 2.398 0.020 2 397 32 37 GLN CD C 180.043 0.400 1 398 32 37 GLN NE2 N 112.005 0.400 1 399 32 37 GLN HE21 H 7.586 0.020 2 400 32 37 GLN HE22 H 6.918 0.020 2 401 32 37 GLN C C 175.222 0.400 1 402 33 38 GLY N N 109.855 0.400 1 403 33 38 GLY H H 8.449 0.020 1 404 33 38 GLY CA C 43.235 0.400 1 405 33 38 GLY HA2 H 4.566 0.020 2 406 33 38 GLY HA3 H 3.789 0.020 2 407 33 38 GLY C C 173.603 0.400 1 408 34 39 LYS N N 117.627 0.400 1 409 34 39 LYS H H 8.649 0.020 1 410 34 39 LYS CA C 54.563 0.400 1 411 34 39 LYS HA H 4.394 0.020 1 412 34 39 LYS CB C 32.892 0.400 1 413 34 39 LYS HB2 H 1.734 0.020 2 414 34 39 LYS HB3 H 1.734 0.020 2 415 34 39 LYS CG C 24.838 0.400 1 416 34 39 LYS HG2 H 1.489 0.020 2 417 34 39 LYS HG3 H 1.489 0.020 2 418 34 39 LYS CD C 28.409 0.400 1 419 34 39 LYS HD2 H 1.725 0.020 2 420 34 39 LYS HD3 H 1.725 0.020 2 421 34 39 LYS CE C 39.912 0.400 1 422 34 39 LYS HE2 H 2.987 0.020 2 423 34 39 LYS HE3 H 2.987 0.020 2 424 34 39 LYS C C 176.803 0.400 1 425 35 40 LYS N N 121.705 0.400 1 426 35 40 LYS H H 8.920 0.020 1 427 35 40 LYS CA C 61.559 0.400 1 428 35 40 LYS HA H 3.597 0.020 1 429 35 40 LYS CB C 31.953 0.400 1 430 35 40 LYS HB2 H 1.765 0.020 2 431 35 40 LYS HB3 H 1.861 0.020 2 432 35 40 LYS CG C 24.713 0.400 1 433 35 40 LYS HG2 H 1.189 0.020 2 434 35 40 LYS HG3 H 1.189 0.020 2 435 35 40 LYS CD C 29.265 0.400 1 436 35 40 LYS HD2 H 1.709 0.020 2 437 35 40 LYS HD3 H 1.709 0.020 2 438 35 40 LYS CE C 41.651 0.400 1 439 35 40 LYS HE2 H 2.994 0.020 2 440 35 40 LYS HE3 H 2.994 0.020 2 441 35 40 LYS C C 177.362 0.400 1 442 36 41 GLN N N 114.637 0.400 1 443 36 41 GLN H H 9.017 0.020 1 444 36 41 GLN CA C 57.638 0.400 1 445 36 41 GLN HA H 3.719 0.020 1 446 36 41 GLN CB C 27.865 0.400 1 447 36 41 GLN HB2 H 2.125 0.020 2 448 36 41 GLN HB3 H 1.803 0.020 2 449 36 41 GLN CG C 33.062 0.400 1 450 36 41 GLN HG2 H 2.472 0.020 2 451 36 41 GLN HG3 H 2.351 0.020 2 452 36 41 GLN CD C 180.016 0.400 1 453 36 41 GLN NE2 N 116.890 0.400 1 454 36 41 GLN HE21 H 8.064 0.020 2 455 36 41 GLN HE22 H 6.908 0.020 2 456 36 41 GLN C C 176.975 0.400 1 457 37 42 ASP N N 115.984 0.400 1 458 37 42 ASP H H 7.049 0.020 1 459 37 42 ASP CA C 56.424 0.400 1 460 37 42 ASP HA H 4.303 0.020 1 461 37 42 ASP CB C 39.955 0.400 1 462 37 42 ASP HB2 H 2.973 0.020 2 463 37 42 ASP HB3 H 2.676 0.020 2 464 37 42 ASP C C 178.454 0.400 1 465 38 43 LEU N N 119.074 0.400 1 466 38 43 LEU H H 7.725 0.020 1 467 38 43 LEU CA C 57.716 0.400 1 468 38 43 LEU HA H 3.794 0.020 1 469 38 43 LEU CB C 40.211 0.400 1 470 38 43 LEU HB2 H 2.089 0.020 2 471 38 43 LEU HB3 H 1.269 0.020 2 472 38 43 LEU CG C 26.216 0.400 1 473 38 43 LEU HG H 1.718 0.020 1 474 38 43 LEU HD1 H 0.716 0.020 2 475 38 43 LEU HD2 H 0.371 0.020 2 476 38 43 LEU CD1 C 26.062 0.400 1 477 38 43 LEU CD2 C 21.205 0.400 1 478 38 43 LEU C C 177.872 0.400 1 479 39 44 ILE N N 118.343 0.400 1 480 39 44 ILE H H 7.867 0.020 1 481 39 44 ILE CA C 66.211 0.400 1 482 39 44 ILE HA H 3.319 0.020 1 483 39 44 ILE CB C 37.985 0.400 1 484 39 44 ILE HB H 1.793 0.020 1 485 39 44 ILE HG2 H 0.847 0.020 1 486 39 44 ILE CG2 C 16.202 0.400 1 487 39 44 ILE HD1 H 0.750 0.020 1 488 39 44 ILE CD1 C 13.332 0.400 1 489 39 44 ILE C C 177.711 0.400 1 490 40 45 ASP N N 118.535 0.400 1 491 40 45 ASP H H 8.503 0.020 1 492 40 45 ASP CA C 56.817 0.400 1 493 40 45 ASP HA H 4.256 0.020 1 494 40 45 ASP CB C 39.815 0.400 1 495 40 45 ASP HB2 H 2.614 0.020 2 496 40 45 ASP HB3 H 2.787 0.020 2 497 40 45 ASP C C 178.464 0.400 1 498 41 46 ARG N N 120.910 0.400 1 499 41 46 ARG H H 7.717 0.020 1 500 41 46 ARG CA C 59.054 0.400 1 501 41 46 ARG HA H 3.993 0.020 1 502 41 46 ARG CB C 29.778 0.400 1 503 41 46 ARG HB2 H 2.086 0.020 2 504 41 46 ARG HB3 H 2.086 0.020 2 505 41 46 ARG CG C 27.773 0.400 1 506 41 46 ARG HG2 H 1.806 0.020 2 507 41 46 ARG HG3 H 1.806 0.020 2 508 41 46 ARG CD C 43.916 0.400 1 509 41 46 ARG NE N 84.467 0.400 1 510 41 46 ARG HE H 7.278 0.020 1 511 41 46 ARG C C 177.565 0.400 1 512 42 47 VAL N N 117.438 0.400 1 513 42 47 VAL H H 7.445 0.020 1 514 42 47 VAL CA C 66.095 0.400 1 515 42 47 VAL HA H 3.446 0.020 1 516 42 47 VAL CB C 31.113 0.400 1 517 42 47 VAL HB H 2.106 0.020 1 518 42 47 VAL HG1 H 0.675 0.020 2 519 42 47 VAL HG2 H 0.894 0.020 2 520 42 47 VAL CG1 C 21.460 0.400 1 521 42 47 VAL CG2 C 22.323 0.400 1 522 42 47 VAL C C 177.710 0.400 1 523 43 48 LEU N N 117.085 0.400 1 524 43 48 LEU H H 8.466 0.020 1 525 43 48 LEU CA C 57.406 0.400 1 526 43 48 LEU HA H 3.851 0.020 1 527 43 48 LEU CB C 40.779 0.400 1 528 43 48 LEU HB2 H 1.800 0.020 2 529 43 48 LEU HB3 H 1.436 0.020 2 530 43 48 LEU CG C 26.036 0.400 1 531 43 48 LEU HG H 1.727 0.020 1 532 43 48 LEU HD1 H 0.845 0.020 2 533 43 48 LEU HD2 H 0.708 0.020 2 534 43 48 LEU CD1 C 22.809 0.400 1 535 43 48 LEU CD2 C 21.561 0.400 1 536 43 48 LEU C C 179.581 0.400 1 537 44 49 ALA N N 120.480 0.400 1 538 44 49 ALA H H 7.952 0.020 1 539 44 49 ALA CA C 53.998 0.400 1 540 44 49 ALA HA H 4.104 0.020 1 541 44 49 ALA HB H 1.469 0.020 1 542 44 49 ALA CB C 17.685 0.400 1 543 44 49 ALA C C 178.926 0.400 1 544 45 50 LEU N N 115.306 0.400 1 545 45 50 LEU H H 7.428 0.020 1 546 45 50 LEU CA C 55.650 0.400 1 547 45 50 LEU HA H 4.206 0.020 1 548 45 50 LEU CB C 41.937 0.400 1 549 45 50 LEU HB2 H 1.993 0.020 2 550 45 50 LEU HB3 H 1.993 0.020 2 551 45 50 LEU CG C 26.560 0.400 1 552 45 50 LEU HG H 1.614 0.020 1 553 45 50 LEU HD1 H 0.921 0.020 2 554 45 50 LEU HD2 H 0.789 0.020 2 555 45 50 LEU CD1 C 21.067 0.400 1 556 45 50 LEU CD2 C 22.850 0.400 1 557 45 50 LEU C C 177.840 0.400 1 558 46 51 LEU N N 115.880 0.400 1 559 46 51 LEU H H 7.642 0.020 1 560 46 51 LEU CA C 54.861 0.400 1 561 46 51 LEU HA H 4.260 0.020 1 562 46 51 LEU CB C 42.228 0.400 1 563 46 51 LEU HB2 H 1.963 0.020 2 564 46 51 LEU HB3 H 1.963 0.020 2 565 46 51 LEU CG C 26.558 0.400 1 566 46 51 LEU HG H 0.894 0.020 1 567 46 51 LEU HD2 H 0.834 0.020 2 568 46 51 LEU CD1 C 22.670 0.400 1 569 46 51 LEU CD2 C 23.187 0.400 1 570 46 51 LEU C C 176.015 0.400 1 571 47 52 THR N N 109.201 0.400 1 572 47 52 THR H H 7.515 0.020 1 573 47 52 THR CA C 60.972 0.400 1 574 47 52 THR HA H 4.345 0.020 1 575 47 52 THR CB C 69.620 0.400 1 576 47 52 THR HB H 4.293 0.020 1 577 47 52 THR HG2 H 1.187 0.020 1 578 47 52 THR CG2 C 20.922 0.400 1 579 47 52 THR C C 173.733 0.400 1 580 48 53 ASP N N 122.188 0.400 1 581 48 53 ASP H H 8.280 0.020 1 582 48 53 ASP CA C 54.205 0.400 1 583 48 53 ASP HA H 4.686 0.020 1 584 48 53 ASP CB C 40.766 0.400 1 585 48 53 ASP HB2 H 2.650 0.020 2 586 48 53 ASP HB3 H 2.775 0.020 2 587 48 53 ASP CG C 179.984 0.400 1 588 48 53 ASP C C 176.000 0.400 1 589 49 54 GLU N N 121.966 0.400 1 590 49 54 GLU H H 8.589 0.020 1 591 49 54 GLU CA C 56.448 0.400 1 592 49 54 GLU HA H 4.234 0.020 1 593 49 54 GLU CB C 29.642 0.400 1 594 49 54 GLU HB2 H 1.928 0.020 2 595 49 54 GLU HB3 H 2.039 0.020 2 596 49 54 GLU CG C 35.710 0.400 1 597 49 54 GLU HG2 H 2.273 0.020 2 598 49 54 GLU HG3 H 2.273 0.020 2 599 49 54 GLU C C 176.522 0.400 1 600 50 55 GLN N N 120.727 0.400 1 601 50 55 GLN H H 8.642 0.020 1 602 50 55 GLN CA C 56.251 0.400 1 603 50 55 GLN HA H 4.217 0.020 1 604 50 55 GLN CB C 28.555 0.400 1 605 50 55 GLN HB2 H 2.021 0.020 2 606 50 55 GLN HB3 H 2.130 0.020 2 607 50 55 GLN CG C 33.313 0.400 1 608 50 55 GLN HG2 H 2.366 0.020 2 609 50 55 GLN HG3 H 2.366 0.020 2 610 50 55 GLN CD C 179.851 0.400 1 611 50 55 GLN NE2 N 112.704 0.400 1 612 50 55 GLN HE21 H 7.627 0.020 2 613 50 55 GLN HE22 H 6.936 0.020 2 614 50 55 GLN C C 176.519 0.400 1 615 51 56 GLY N N 109.357 0.400 1 616 51 56 GLY H H 8.519 0.020 1 617 51 56 GLY CA C 45.276 0.400 1 618 51 56 GLY HA2 H 3.950 0.020 2 619 51 56 GLY HA3 H 3.809 0.020 2 620 51 56 GLY C C 174.146 0.400 1 621 52 57 GLN N N 119.207 0.400 1 622 52 57 GLN H H 8.263 0.020 1 623 52 57 GLN CA C 55.572 0.400 1 624 52 57 GLN HA H 4.203 0.020 1 625 52 57 GLN CB C 28.656 0.400 1 626 52 57 GLN HB2 H 1.928 0.020 2 627 52 57 GLN HB3 H 2.048 0.020 2 628 52 57 GLN CG C 33.358 0.400 1 629 52 57 GLN HG2 H 2.295 0.020 2 630 52 57 GLN HG3 H 2.295 0.020 2 631 52 57 GLN CD C 179.875 0.400 1 632 52 57 GLN NE2 N 112.550 0.400 1 633 52 57 GLN HE21 H 7.551 0.020 2 634 52 57 GLN HE22 H 6.934 0.020 2 635 52 57 GLN C C 175.872 0.400 1 636 53 58 ARG N N 120.525 0.400 1 637 53 58 ARG H H 8.279 0.020 1 638 53 58 ARG CA C 55.883 0.400 1 639 53 58 ARG HA H 4.176 0.020 1 640 53 58 ARG CB C 30.031 0.400 1 641 53 58 ARG HB2 H 1.676 0.020 2 642 53 58 ARG HB3 H 1.676 0.020 2 643 53 58 ARG CG C 26.777 0.400 1 644 53 58 ARG HG2 H 1.533 0.020 2 645 53 58 ARG HG3 H 1.482 0.020 2 646 53 58 ARG CD C 42.741 0.400 1 647 53 58 ARG HD2 H 3.081 0.020 2 648 53 58 ARG HD3 H 3.081 0.020 2 649 53 58 ARG NE N 84.322 0.400 1 650 53 58 ARG HE H 7.229 0.020 1 651 53 58 ARG C C 175.820 0.400 1 652 54 59 HIS N N 118.905 0.400 1 653 54 59 HIS H H 8.398 0.020 1 654 54 59 HIS CA C 54.908 0.400 1 655 54 59 HIS HA H 4.548 0.020 1 656 54 59 HIS CB C 28.953 0.400 1 657 54 59 HIS HB2 H 3.069 0.020 2 658 54 59 HIS HB3 H 2.947 0.020 2 659 54 59 HIS C C 174.136 0.400 1 660 55 60 HIS N N 119.527 0.400 1 661 55 60 HIS H H 8.493 0.020 1 662 55 60 HIS CA C 55.274 0.400 1 663 55 60 HIS HA H 4.552 0.020 1 664 55 60 HIS CB C 28.913 0.400 1 665 55 60 HIS HB2 H 3.082 0.020 2 666 55 60 HIS HB3 H 2.963 0.020 2 667 55 60 HIS C C 174.595 0.400 1 668 56 61 GLY N N 110.215 0.400 1 669 56 61 GLY H H 8.604 0.020 1 670 56 61 GLY CA C 44.977 0.400 1 671 56 61 GLY HA2 H 3.956 0.020 2 672 56 61 GLY HA3 H 3.831 0.020 2 673 56 61 GLY C C 173.752 0.400 1 674 57 62 TRP N N 120.700 0.400 1 675 57 62 TRP H H 8.175 0.020 1 676 57 62 TRP CA C 56.929 0.400 1 677 57 62 TRP HA H 4.663 0.020 1 678 57 62 TRP CB C 29.142 0.400 1 679 57 62 TRP HB2 H 3.249 0.020 2 680 57 62 TRP HB3 H 3.326 0.020 2 681 57 62 TRP CD1 C 126.268 0.400 1 682 57 62 TRP CE3 C 120.528 0.400 1 683 57 62 TRP NE1 N 129.289 0.400 1 684 57 62 TRP HD1 H 7.218 0.020 1 685 57 62 TRP HE3 H 7.553 0.020 1 686 57 62 TRP CZ3 C 121.555 0.400 1 687 57 62 TRP CZ2 C 113.985 0.400 1 688 57 62 TRP HE1 H 10.230 0.020 1 689 57 62 TRP HZ3 H 7.079 0.020 1 690 57 62 TRP CH2 C 124.060 0.400 1 691 57 62 TRP HZ2 H 7.364 0.020 1 692 57 62 TRP HH2 H 7.107 0.020 1 693 57 62 TRP C C 176.442 0.400 1 694 58 63 GLY N N 110.195 0.400 1 695 58 63 GLY H H 8.452 0.020 1 696 58 63 GLY CA C 45.052 0.400 1 697 58 63 GLY HA2 H 3.925 0.020 2 698 58 63 GLY HA3 H 3.833 0.020 2 699 58 63 GLY C C 173.738 0.400 1 700 59 64 ARG N N 120.374 0.400 1 701 59 64 ARG H H 8.136 0.020 1 702 59 64 ARG CA C 55.799 0.400 1 703 59 64 ARG HA H 4.287 0.020 1 704 59 64 ARG CB C 30.371 0.400 1 705 59 64 ARG HB2 H 1.855 0.020 2 706 59 64 ARG HB3 H 1.721 0.020 2 707 59 64 ARG CG C 26.748 0.400 1 708 59 64 ARG HG2 H 1.587 0.020 2 709 59 64 ARG HG3 H 1.587 0.020 2 710 59 64 ARG CD C 42.789 0.400 1 711 59 64 ARG HD2 H 3.160 0.020 2 712 59 64 ARG HD3 H 3.160 0.020 2 713 59 64 ARG NE N 84.319 0.400 1 714 59 64 ARG HE H 7.233 0.020 1 715 59 64 ARG C C 176.287 0.400 1 716 60 65 LYS N N 121.593 0.400 1 717 60 65 LYS H H 8.483 0.020 1 718 60 65 LYS CA C 56.353 0.400 1 719 60 65 LYS HA H 4.218 0.020 1 720 60 65 LYS CB C 32.260 0.400 1 721 60 65 LYS HB2 H 1.782 0.020 2 722 60 65 LYS HB3 H 1.782 0.020 2 723 60 65 LYS CG C 24.337 0.400 1 724 60 65 LYS HG2 H 1.432 0.020 2 725 60 65 LYS HG3 H 1.432 0.020 2 726 60 65 LYS C C 176.102 0.400 1 727 61 66 ASN N N 118.654 0.400 1 728 61 66 ASN H H 8.413 0.020 1 729 61 66 ASN CA C 53.055 0.400 1 730 61 66 ASN HA H 4.639 0.020 1 731 61 66 ASN CB C 38.385 0.400 1 732 61 66 ASN HB2 H 2.794 0.020 2 733 61 66 ASN HB3 H 2.723 0.020 2 734 61 66 ASN CG C 176.400 0.400 1 735 61 66 ASN ND2 N 113.118 0.400 1 736 61 66 ASN HD21 H 7.681 0.020 2 737 61 66 ASN HD22 H 6.925 0.020 2 738 61 66 ASN C C 174.531 0.400 1 739 62 67 SER N N 115.491 0.400 1 740 62 67 SER H H 8.288 0.020 1 741 62 67 SER CA C 57.980 0.400 1 742 62 67 SER HA H 4.283 0.020 1 743 62 67 SER CB C 63.205 0.400 1 744 62 67 SER HB2 H 3.825 0.020 2 745 62 67 SER HB3 H 3.825 0.020 2 746 62 67 SER C C 173.864 0.400 1 747 63 68 LEU N N 123.549 0.400 1 748 63 68 LEU H H 8.063 0.020 1 749 63 68 LEU CA C 54.098 0.400 1 750 63 68 LEU HA H 4.481 0.020 1 751 63 68 LEU CB C 42.494 0.400 1 752 63 68 LEU HB2 H 1.589 0.020 2 753 63 68 LEU HB3 H 1.480 0.020 2 754 63 68 LEU CG C 26.710 0.400 1 755 63 68 LEU HG H 1.620 0.020 1 756 63 68 LEU HD1 H 0.875 0.020 2 757 63 68 LEU HD2 H 0.839 0.020 2 758 63 68 LEU CD1 C 25.495 0.400 1 759 63 68 LEU CD2 C 23.466 0.400 1 760 63 68 LEU C C 176.532 0.400 1 761 64 69 THR N N 112.637 0.400 1 762 64 69 THR H H 7.797 0.020 1 763 64 69 THR CA C 59.915 0.400 1 764 64 69 THR HA H 4.490 0.020 1 765 64 69 THR CB C 70.852 0.400 1 766 64 69 THR HB H 4.753 0.020 1 767 64 69 THR HG2 H 1.340 0.020 1 768 64 69 THR CG2 C 21.600 0.400 1 769 64 69 THR C C 174.998 0.400 1 770 65 70 LYS N N 120.128 0.400 1 771 65 70 LYS H H 9.059 0.020 1 772 65 70 LYS CA C 59.535 0.400 1 773 65 70 LYS HA H 3.909 0.020 1 774 65 70 LYS CB C 31.890 0.400 1 775 65 70 LYS HB2 H 1.836 0.020 2 776 65 70 LYS HB3 H 1.836 0.020 2 777 65 70 LYS CG C 24.520 0.400 1 778 65 70 LYS CD C 29.282 0.400 1 779 65 70 LYS CE C 41.385 0.400 1 780 65 70 LYS HE2 H 3.018 0.020 2 781 65 70 LYS HE3 H 3.018 0.020 2 782 65 70 LYS C C 177.536 0.400 1 783 66 71 GLU N N 117.667 0.400 1 784 66 71 GLU H H 8.699 0.020 1 785 66 71 GLU CA C 60.199 0.400 1 786 66 71 GLU HA H 3.806 0.020 1 787 66 71 GLU CB C 27.986 0.400 1 788 66 71 GLU HB2 H 2.080 0.020 2 789 66 71 GLU HB3 H 1.882 0.020 2 790 66 71 GLU CG C 36.965 0.400 1 791 66 71 GLU HG2 H 2.476 0.020 2 792 66 71 GLU HG3 H 2.175 0.020 2 793 66 71 GLU CD C 183.610 0.400 1 794 66 71 GLU C C 178.416 0.400 1 795 67 72 ALA N N 123.924 0.400 1 796 67 72 ALA H H 7.992 0.020 1 797 67 72 ALA CA C 54.477 0.400 1 798 67 72 ALA HA H 4.110 0.020 1 799 67 72 ALA HB H 1.552 0.020 1 800 67 72 ALA CB C 18.301 0.400 1 801 67 72 ALA C C 178.721 0.400 1 802 68 73 VAL N N 119.434 0.400 1 803 68 73 VAL H H 8.044 0.020 1 804 68 73 VAL CA C 66.089 0.400 1 805 68 73 VAL HA H 3.473 0.020 1 806 68 73 VAL CB C 31.150 0.400 1 807 68 73 VAL HB H 2.171 0.020 1 808 68 73 VAL HG1 H 0.809 0.020 2 809 68 73 VAL HG2 H 1.041 0.020 2 810 68 73 VAL CG1 C 20.919 0.400 1 811 68 73 VAL CG2 C 22.730 0.400 1 812 68 73 VAL C C 177.001 0.400 1 813 69 74 ALA N N 120.671 0.400 1 814 69 74 ALA H H 8.407 0.020 1 815 69 74 ALA CA C 54.727 0.400 1 816 69 74 ALA HA H 3.968 0.020 1 817 69 74 ALA HB H 1.364 0.020 1 818 69 74 ALA CB C 18.066 0.400 1 819 69 74 ALA C C 178.820 0.400 1 820 70 75 LYS N N 118.624 0.400 1 821 70 75 LYS H H 7.930 0.020 1 822 70 75 LYS CA C 58.807 0.400 1 823 70 75 LYS HA H 4.086 0.020 1 824 70 75 LYS CB C 31.776 0.400 1 825 70 75 LYS HB2 H 1.939 0.020 2 826 70 75 LYS HB3 H 1.901 0.020 2 827 70 75 LYS CG C 24.448 0.400 1 828 70 75 LYS HG2 H 1.429 0.020 2 829 70 75 LYS HG3 H 1.429 0.020 2 830 70 75 LYS CD C 28.534 0.400 1 831 70 75 LYS CE C 41.724 0.400 1 832 70 75 LYS HE2 H 2.787 0.020 2 833 70 75 LYS HE3 H 2.787 0.020 2 834 70 75 LYS C C 177.424 0.400 1 835 71 76 ILE N N 120.234 0.400 1 836 71 76 ILE H H 7.478 0.020 1 837 71 76 ILE CA C 64.885 0.400 1 838 71 76 ILE HA H 3.960 0.020 1 839 71 76 ILE CB C 37.810 0.400 1 840 71 76 ILE HB H 2.035 0.020 1 841 71 76 ILE HG2 H 0.879 0.020 1 842 71 76 ILE CG2 C 17.197 0.400 1 843 71 76 ILE CG1 C 29.460 0.400 1 844 71 76 ILE HG12 H 1.743 0.020 2 845 71 76 ILE HG13 H 1.177 0.020 2 846 71 76 ILE HD1 H 0.800 0.020 1 847 71 76 ILE CD1 C 13.511 0.400 1 848 71 76 ILE C C 179.734 0.400 1 849 72 77 VAL N N 122.502 0.400 1 850 72 77 VAL H H 8.325 0.020 1 851 72 77 VAL CA C 67.450 0.400 1 852 72 77 VAL HA H 3.576 0.020 1 853 72 77 VAL CB C 30.928 0.400 1 854 72 77 VAL HB H 2.409 0.020 1 855 72 77 VAL HG1 H 1.007 0.020 2 856 72 77 VAL HG2 H 0.981 0.020 2 857 72 77 VAL CG1 C 21.631 0.400 1 858 72 77 VAL CG2 C 22.693 0.400 1 859 72 77 VAL C C 176.906 0.400 1 860 73 78 ASP N N 120.524 0.400 1 861 73 78 ASP H H 8.798 0.020 1 862 73 78 ASP CA C 58.206 0.400 1 863 73 78 ASP HA H 4.379 0.020 1 864 73 78 ASP CB C 41.420 0.400 1 865 73 78 ASP HB2 H 2.802 0.020 2 866 73 78 ASP HB3 H 2.761 0.020 2 867 73 78 ASP CG C 178.692 0.400 1 868 73 78 ASP C C 178.068 0.400 1 869 74 79 ASP N N 119.761 0.400 1 870 74 79 ASP H H 9.318 0.020 1 871 74 79 ASP CA C 57.025 0.400 1 872 74 79 ASP HA H 4.404 0.020 1 873 74 79 ASP CB C 40.007 0.400 1 874 74 79 ASP HB2 H 2.908 0.020 2 875 74 79 ASP HB3 H 2.647 0.020 2 876 74 79 ASP CG C 178.649 0.400 1 877 74 79 ASP C C 178.813 0.400 1 878 75 80 THR N N 117.342 0.400 1 879 75 80 THR H H 8.084 0.020 1 880 75 80 THR CA C 66.977 0.400 1 881 75 80 THR HA H 3.826 0.020 1 882 75 80 THR CB C 67.725 0.400 1 883 75 80 THR HB H 4.263 0.020 1 884 75 80 THR HG2 H 0.860 0.020 1 885 75 80 THR CG2 C 20.570 0.400 1 886 75 80 THR C C 175.367 0.400 1 887 76 81 TYR N N 123.732 0.400 1 888 76 81 TYR H H 8.830 0.020 1 889 76 81 TYR CA C 61.713 0.400 1 890 76 81 TYR HA H 4.265 0.020 1 891 76 81 TYR CB C 38.849 0.400 1 892 76 81 TYR HB2 H 3.440 0.020 2 893 76 81 TYR HB3 H 3.210 0.020 2 894 76 81 TYR CD1 C 132.542 0.400 1 895 76 81 TYR HD1 H 6.995 0.020 1 896 76 81 TYR CE1 C 118.013 0.400 1 897 76 81 TYR HE1 H 6.468 0.020 1 898 76 81 TYR HE2 H 6.468 0.020 1 899 76 81 TYR HD2 H 6.995 0.020 1 900 76 81 TYR C C 176.700 0.400 1 901 77 82 ARG N N 118.508 0.400 1 902 77 82 ARG H H 8.754 0.020 1 903 77 82 ARG CA C 58.792 0.400 1 904 77 82 ARG HA H 3.890 0.020 1 905 77 82 ARG CB C 29.498 0.400 1 906 77 82 ARG HB2 H 1.927 0.020 2 907 77 82 ARG HB3 H 1.927 0.020 2 908 77 82 ARG CG C 27.731 0.400 1 909 77 82 ARG HG2 H 1.901 0.020 2 910 77 82 ARG HG3 H 1.696 0.020 2 911 77 82 ARG CD C 42.715 0.400 1 912 77 82 ARG HD2 H 3.239 0.020 2 913 77 82 ARG HD3 H 3.239 0.020 2 914 77 82 ARG NE N 84.609 0.400 1 915 77 82 ARG HE H 7.540 0.020 1 916 77 82 ARG CZ C 159.043 0.400 1 917 77 82 ARG HH11 H 7.018 0.020 2 918 77 82 ARG HH12 H 7.018 0.020 2 919 77 82 ARG HH21 H 6.629 0.020 2 920 77 82 ARG HH22 H 6.629 0.020 2 921 77 82 ARG C C 178.748 0.400 1 922 78 83 LYS N N 118.079 0.400 1 923 78 83 LYS H H 7.696 0.020 1 924 78 83 LYS CA C 58.671 0.400 1 925 78 83 LYS HA H 4.024 0.020 1 926 78 83 LYS CB C 32.057 0.400 1 927 78 83 LYS HB2 H 1.913 0.020 2 928 78 83 LYS HB3 H 1.913 0.020 2 929 78 83 LYS CE C 41.258 0.400 1 930 78 83 LYS HE2 H 2.900 0.020 2 931 78 83 LYS HE3 H 2.900 0.020 2 932 78 83 LYS C C 177.743 0.400 1 933 79 84 MET N N 118.241 0.400 1 934 79 84 MET H H 7.748 0.020 1 935 79 84 MET CA C 57.209 0.400 1 936 79 84 MET HA H 4.170 0.020 1 937 79 84 MET CB C 32.320 0.400 1 938 79 84 MET HB2 H 2.135 0.020 2 939 79 84 MET HB3 H 2.068 0.020 2 940 79 84 MET CG C 31.544 0.400 1 941 79 84 MET HG2 H 2.659 0.020 2 942 79 84 MET HG3 H 2.492 0.020 2 943 79 84 MET HE H 1.946 0.020 1 944 79 84 MET CE C 16.692 0.400 1 945 79 84 MET C C 177.036 0.400 1 946 80 85 GLN N N 117.242 0.400 1 947 80 85 GLN H H 7.843 0.020 1 948 80 85 GLN CA C 56.523 0.400 1 949 80 85 GLN HA H 3.993 0.020 1 950 80 85 GLN CB C 28.240 0.400 1 951 80 85 GLN HB2 H 1.929 0.020 2 952 80 85 GLN HB3 H 1.929 0.020 2 953 80 85 GLN CG C 33.091 0.400 1 954 80 85 GLN HG2 H 1.978 0.020 2 955 80 85 GLN HG3 H 1.978 0.020 2 956 80 85 GLN CD C 179.508 0.400 1 957 80 85 GLN NE2 N 112.034 0.400 1 958 80 85 GLN HE21 H 6.624 0.020 2 959 80 85 GLN HE22 H 6.483 0.020 2 960 80 85 GLN C C 176.690 0.400 1 961 81 86 ILE N N 119.178 0.400 1 962 81 86 ILE H H 7.715 0.020 1 963 81 86 ILE CA C 62.073 0.400 1 964 81 86 ILE HA H 3.934 0.020 1 965 81 86 ILE CB C 37.966 0.400 1 966 81 86 ILE HB H 1.820 0.020 1 967 81 86 ILE HG2 H 0.845 0.020 1 968 81 86 ILE CG2 C 17.029 0.400 1 969 81 86 ILE CG1 C 27.469 0.400 1 970 81 86 ILE HG12 H 1.483 0.020 2 971 81 86 ILE HG13 H 1.131 0.020 2 972 81 86 ILE HD1 H 0.791 0.020 1 973 81 86 ILE CD1 C 12.662 0.400 1 974 81 86 ILE C C 176.673 0.400 1 975 82 87 GLN N N 121.386 0.400 1 976 82 87 GLN H H 8.164 0.020 1 977 82 87 GLN CA C 55.968 0.400 1 978 82 87 GLN HA H 4.214 0.020 1 979 82 87 GLN CB C 28.735 0.400 1 980 82 87 GLN HB2 H 2.127 0.020 2 981 82 87 GLN HB3 H 2.047 0.020 2 982 82 87 GLN CG C 33.352 0.400 1 983 82 87 GLN HG2 H 2.437 0.020 2 984 82 87 GLN HG3 H 2.346 0.020 2 985 82 87 GLN NE2 N 112.687 0.400 1 986 82 87 GLN HE21 H 7.606 0.020 2 987 82 87 GLN HE22 H 6.934 0.020 2 988 82 87 GLN C C 175.836 0.400 1 989 83 88 CYS N N 118.663 0.400 1 990 83 88 CYS H H 8.238 0.020 1 991 83 88 CYS CA C 57.997 0.400 1 992 83 88 CYS HA H 4.467 0.020 1 993 83 88 CYS CB C 27.582 0.400 1 994 83 88 CYS HB2 H 2.915 0.020 2 995 83 88 CYS HB3 H 2.863 0.020 2 996 83 88 CYS C C 173.432 0.400 1 997 84 89 ALA N N 127.014 0.400 1 998 84 89 ALA H H 8.249 0.020 1 999 84 89 ALA CA C 50.607 0.400 1 1000 84 89 ALA HA H 4.544 0.020 1 1001 84 89 ALA HB H 1.372 0.020 1 1002 84 89 ALA CB C 17.658 0.400 1 1003 84 89 ALA C C 175.125 0.400 1 1004 85 90 PRO CD C 50.072 0.400 1 1005 85 90 PRO CA C 62.995 0.400 1 1006 85 90 PRO HA H 4.373 0.020 1 1007 85 90 PRO CB C 31.692 0.400 1 1008 85 90 PRO HB2 H 2.260 0.020 2 1009 85 90 PRO HB3 H 1.860 0.020 2 1010 85 90 PRO CG C 26.955 0.400 1 1011 85 90 PRO HG2 H 1.980 0.020 2 1012 85 90 PRO HG3 H 1.980 0.020 2 1013 85 90 PRO HD2 H 3.748 0.020 2 1014 85 90 PRO HD3 H 3.643 0.020 2 1015 85 90 PRO C C 176.407 0.400 1 1016 86 91 ASP N N 119.209 0.400 1 1017 86 91 ASP H H 8.429 0.020 1 1018 86 91 ASP CA C 53.752 0.400 1 1019 86 91 ASP HA H 4.394 0.020 1 1020 86 91 ASP CB C 40.319 0.400 1 1021 86 91 ASP HB2 H 2.695 0.020 2 1022 86 91 ASP HB3 H 2.654 0.020 2 1023 86 91 ASP C C 176.101 0.400 1 1024 87 92 LEU N N 122.571 0.400 1 1025 87 92 LEU H H 8.208 0.020 1 1026 87 92 LEU CA C 55.286 0.400 1 1027 87 92 LEU HA H 4.204 0.020 1 1028 87 92 LEU CB C 41.786 0.400 1 1029 87 92 LEU HB2 H 1.646 0.020 2 1030 87 92 LEU HB3 H 1.575 0.020 2 1031 87 92 LEU CG C 26.463 0.400 1 1032 87 92 LEU HG H 1.617 0.020 1 1033 87 92 LEU HD1 H 0.877 0.020 2 1034 87 92 LEU HD2 H 0.811 0.020 2 1035 87 92 LEU CD1 C 24.375 0.400 1 1036 87 92 LEU CD2 C 23.100 0.400 1 1037 87 92 LEU C C 177.406 0.400 1 1038 88 93 ALA N N 123.131 0.400 1 1039 88 93 ALA H H 8.305 0.020 1 1040 88 93 ALA CA C 52.876 0.400 1 1041 88 93 ALA HA H 4.263 0.020 1 1042 88 93 ALA HB H 1.395 0.020 1 1043 88 93 ALA CB C 18.672 0.400 1 1044 88 93 ALA C C 178.033 0.400 1 1045 89 94 THR N N 112.097 0.400 1 1046 89 94 THR H H 7.994 0.020 1 1047 89 94 THR CA C 61.640 0.400 1 1048 89 94 THR HA H 4.251 0.020 1 1049 89 94 THR CB C 69.063 0.400 1 1050 89 94 THR HB H 4.222 0.020 1 1051 89 94 THR HG2 H 1.186 0.020 1 1052 89 94 THR CG2 C 21.162 0.400 1 1053 89 94 THR C C 174.493 0.400 1 1054 90 95 ARG N N 122.704 0.400 1 1055 90 95 ARG H H 8.211 0.020 1 1056 90 95 ARG CA C 55.718 0.400 1 1057 90 95 ARG HA H 4.324 0.020 1 1058 90 95 ARG CB C 30.309 0.400 1 1059 90 95 ARG HB2 H 1.742 0.020 2 1060 90 95 ARG HB3 H 1.839 0.020 2 1061 90 95 ARG CG C 26.651 0.400 1 1062 90 95 ARG HG2 H 1.603 0.020 2 1063 90 95 ARG HG3 H 1.603 0.020 2 1064 90 95 ARG CD C 42.852 0.400 1 1065 90 95 ARG HD2 H 3.130 0.020 2 1066 90 95 ARG HD3 H 3.130 0.020 2 1067 90 95 ARG NE N 84.345 0.400 1 1068 90 95 ARG HE H 7.232 0.020 1 1069 90 95 ARG C C 175.927 0.400 1 1070 91 96 SER N N 116.390 0.400 1 1071 91 96 SER H H 8.365 0.020 1 1072 91 96 SER CA C 57.823 0.400 1 1073 91 96 SER HA H 4.356 0.020 1 1074 91 96 SER CB C 63.214 0.400 1 1075 91 96 SER HB2 H 3.818 0.020 2 1076 91 96 SER HB3 H 3.818 0.020 2 1077 91 96 SER C C 174.011 0.400 1 1078 92 97 HIS N N 120.507 0.400 1 1079 92 97 HIS H H 8.541 0.020 1 1080 92 97 HIS CA C 54.960 0.400 1 1081 92 97 HIS HA H 4.704 0.020 1 1082 92 97 HIS CB C 28.518 0.400 1 1083 92 97 HIS HB2 H 3.253 0.020 2 1084 92 97 HIS HB3 H 3.158 0.020 2 1085 92 97 HIS CD2 C 119.523 0.400 1 1086 92 97 HIS HD2 H 7.261 0.020 1 1087 92 97 HIS C C 174.186 0.400 1 1088 93 98 SER N N 116.801 0.400 1 1089 93 98 SER H H 8.455 0.020 1 1090 93 98 SER CA C 57.880 0.400 1 1091 93 98 SER HA H 4.445 0.020 1 1092 93 98 SER CB C 63.434 0.400 1 1093 93 98 SER HB2 H 3.853 0.020 2 1094 93 98 SER HB3 H 3.853 0.020 2 1095 93 98 SER C C 174.508 0.400 1 1096 94 99 GLY N N 111.114 0.400 1 1097 94 99 GLY H H 8.597 0.020 1 1098 94 99 GLY CA C 44.888 0.400 1 1099 94 99 GLY HA2 H 3.998 0.020 2 1100 94 99 GLY HA3 H 3.998 0.020 2 1101 94 99 GLY C C 173.856 0.400 1 1102 95 100 SER N N 115.398 0.400 1 1103 95 100 SER H H 8.311 0.020 1 1104 95 100 SER CA C 57.888 0.400 1 1105 95 100 SER HA H 4.408 0.020 1 1106 95 100 SER CB C 63.328 0.400 1 1107 95 100 SER HB2 H 3.776 0.020 2 1108 95 100 SER HB3 H 3.776 0.020 2 1109 95 100 SER C C 173.725 0.400 1 1110 96 101 ASP N N 121.810 0.400 1 1111 96 101 ASP H H 8.380 0.020 1 1112 96 101 ASP CA C 53.813 0.400 1 1113 96 101 ASP HA H 4.536 0.020 1 1114 96 101 ASP CB C 40.438 0.400 1 1115 96 101 ASP HB2 H 2.518 0.020 2 1116 96 101 ASP HB3 H 2.632 0.020 2 1117 96 101 ASP C C 175.524 0.400 1 1118 97 102 PHE N N 120.706 0.400 1 1119 97 102 PHE H H 8.249 0.020 1 1120 97 102 PHE CA C 57.323 0.400 1 1121 97 102 PHE HA H 4.527 0.020 1 1122 97 102 PHE CB C 38.989 0.400 1 1123 97 102 PHE HB2 H 3.088 0.020 2 1124 97 102 PHE HB3 H 2.922 0.020 2 1125 97 102 PHE CD1 C 131.320 0.400 1 1126 97 102 PHE HD1 H 7.146 0.020 1 1127 97 102 PHE HD2 H 7.146 0.020 1 1128 97 102 PHE C C 175.246 0.400 1 1129 98 103 SER N N 116.992 0.400 1 1130 98 103 SER H H 8.167 0.020 1 1131 98 103 SER CA C 57.883 0.400 1 1132 98 103 SER HA H 4.317 0.020 1 1133 98 103 SER CB C 63.301 0.400 1 1134 98 103 SER HB2 H 3.728 0.020 2 1135 98 103 SER HB3 H 3.728 0.020 2 1136 98 103 SER C C 173.244 0.400 1 1137 99 104 PHE N N 122.000 0.400 1 1138 99 104 PHE H H 8.170 0.020 1 1139 99 104 PHE CA C 57.236 0.400 1 1140 99 104 PHE HA H 4.529 0.020 1 1141 99 104 PHE CB C 38.997 0.400 1 1142 99 104 PHE HB2 H 3.027 0.020 2 1143 99 104 PHE HB3 H 3.027 0.020 2 1144 99 104 PHE CD1 C 131.356 0.400 1 1145 99 104 PHE HD1 H 7.187 0.020 1 1146 99 104 PHE HD2 H 7.187 0.020 1 1147 99 104 PHE C C 174.632 0.400 1 1148 100 105 ARG N N 124.796 0.400 1 1149 100 105 ARG H H 8.101 0.020 1 1150 100 105 ARG CA C 52.969 0.400 1 1151 100 105 ARG HA H 4.516 0.020 1 1152 100 105 ARG CB C 30.069 0.400 1 1153 100 105 ARG HB2 H 1.708 0.020 2 1154 100 105 ARG HB3 H 1.603 0.020 2 1155 100 105 ARG CG C 26.241 0.400 1 1156 100 105 ARG HG2 H 1.542 0.020 2 1157 100 105 ARG HG3 H 1.542 0.020 2 1158 100 105 ARG CD C 42.895 0.400 1 1159 100 105 ARG HD2 H 3.117 0.020 2 1160 100 105 ARG HD3 H 3.117 0.020 2 1161 100 105 ARG C C 172.924 0.400 1 1162 101 106 PRO CD C 50.206 0.400 1 1163 101 106 PRO CA C 62.673 0.400 1 1164 101 106 PRO HA H 4.351 0.020 1 1165 101 106 PRO CB C 31.726 0.400 1 1166 101 106 PRO HB2 H 2.262 0.020 2 1167 101 106 PRO HB3 H 1.853 0.020 2 1168 101 106 PRO CG C 26.981 0.400 1 1169 101 106 PRO HG2 H 1.961 0.020 2 1170 101 106 PRO HG3 H 1.961 0.020 2 1171 101 106 PRO HD2 H 3.594 0.020 2 1172 101 106 PRO HD3 H 3.551 0.020 2 1173 101 106 PRO C C 176.395 0.400 1 1174 102 107 ILE N N 121.380 0.400 1 1175 102 107 ILE H H 8.350 0.020 1 1176 102 107 ILE CA C 60.940 0.400 1 1177 102 107 ILE HA H 4.039 0.020 1 1178 102 107 ILE CB C 38.204 0.400 1 1179 102 107 ILE HB H 1.808 0.020 1 1180 102 107 ILE HG2 H 0.877 0.020 1 1181 102 107 ILE CG2 C 17.141 0.400 1 1182 102 107 ILE CG1 C 27.108 0.400 1 1183 102 107 ILE HG12 H 1.469 0.020 2 1184 102 107 ILE HG13 H 1.176 0.020 2 1185 102 107 ILE HD1 H 0.835 0.020 1 1186 102 107 ILE CD1 C 12.605 0.400 1 1187 102 107 ILE C C 175.990 0.400 1 1188 103 108 GLU N N 124.836 0.400 1 1189 103 108 GLU H H 8.578 0.020 1 1190 103 108 GLU CA C 55.883 0.400 1 1191 103 108 GLU HA H 4.280 0.020 1 1192 103 108 GLU CB C 29.902 0.400 1 1193 103 108 GLU HB2 H 1.906 0.020 2 1194 103 108 GLU HB3 H 1.906 0.020 2 1195 103 108 GLU CG C 35.729 0.400 1 1196 103 108 GLU HG2 H 2.239 0.020 2 1197 103 108 GLU HG3 H 2.239 0.020 2 1198 103 108 GLU C C 175.670 0.400 1 1199 104 109 GLU N N 122.847 0.400 1 1200 104 109 GLU H H 8.459 0.020 1 1201 104 109 GLU CA C 55.902 0.400 1 1202 104 109 GLU HA H 4.267 0.020 1 1203 104 109 GLU CB C 29.985 0.400 1 1204 104 109 GLU HB3 H 1.879 0.020 2 1205 104 109 GLU CG C 35.721 0.400 1 1206 104 109 GLU HG2 H 2.234 0.020 2 1207 104 109 GLU HG3 H 2.234 0.020 2 1208 104 109 GLU C C 174.661 0.400 1 1209 105 110 ALA N N 131.124 0.400 1 1210 105 110 ALA H H 8.096 0.020 1 1211 105 110 ALA CA C 53.369 0.400 1 1212 105 110 ALA HA H 4.061 0.020 1 1213 105 110 ALA HB H 1.306 0.020 1 1214 105 110 ALA CB C 19.571 0.400 1 1215 105 110 ALA C C 182.321 0.400 1 stop_ save_