data_19366 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of region 2 of E. coli sigmaE ; _BMRB_accession_number 19366 _BMRB_flat_file_name bmr19366.str _Entry_type original _Submission_date 2013-07-16 _Accession_date 2013-07-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR structure of region 2 of E. coli sigmaE' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campagne Sebastien . . 2 Vorholt Julia A. . 3 Allain Frederic H-T . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 572 "13C chemical shifts" 334 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2014-02-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19367 'Complex formed by the region 2 of E. coli sigmaE and its cognate -10 non template element TGTCAAA' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for -10 promoter element melting by environmentally induced sigma factors.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24531660 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campagne Sebastien . . 2 Marsh May E. . 3 Capitani Guido . . 4 Vorholt Julia A. . 5 Allain 'Frederic H-T' . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 21 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 269 _Page_last 276 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'region 2 of E. coli sigmaE' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'region 2 of E. coli sigmaE' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12252.029 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; MSEQLTDQVLVERVQKGDQK AFNLLVVRYQHKVASLVSRY VPSGDVPDVVQEAFIKAYRA LDSFRGDSAFYTWLYRIAVN TAKNYLVAQGRRLELVPRGS HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 GLN 5 LEU 6 THR 7 ASP 8 GLN 9 VAL 10 LEU 11 VAL 12 GLU 13 ARG 14 VAL 15 GLN 16 LYS 17 GLY 18 ASP 19 GLN 20 LYS 21 ALA 22 PHE 23 ASN 24 LEU 25 LEU 26 VAL 27 VAL 28 ARG 29 TYR 30 GLN 31 HIS 32 LYS 33 VAL 34 ALA 35 SER 36 LEU 37 VAL 38 SER 39 ARG 40 TYR 41 VAL 42 PRO 43 SER 44 GLY 45 ASP 46 VAL 47 PRO 48 ASP 49 VAL 50 VAL 51 GLN 52 GLU 53 ALA 54 PHE 55 ILE 56 LYS 57 ALA 58 TYR 59 ARG 60 ALA 61 LEU 62 ASP 63 SER 64 PHE 65 ARG 66 GLY 67 ASP 68 SER 69 ALA 70 PHE 71 TYR 72 THR 73 TRP 74 LEU 75 TYR 76 ARG 77 ILE 78 ALA 79 VAL 80 ASN 81 THR 82 ALA 83 LYS 84 ASN 85 TYR 86 LEU 87 VAL 88 ALA 89 GLN 90 GLY 91 ARG 92 ARG 93 LEU 94 GLU 95 LEU 96 VAL 97 PRO 98 ARG 99 GLY 100 SER 101 HIS 102 HIS 103 HIS 104 HIS 105 HIS 106 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19367 entity_1 90.57 96 100.00 100.00 1.16e-61 PDB 1OR7 "Crystal Structure Of Escherichia Coli Sigmae With The Cytoplasmic Domain Of Its Anti-Sigma Rsea" 86.79 194 100.00 100.00 1.71e-58 PDB 2MAO "Nmr Structure Of Region 2 Of E. Coli Sigmae" 100.00 106 100.00 100.00 1.31e-70 PDB 2MAP "Solution Structure Of The Complex Formed By The Region 2 Of E. Coli Sigmae And Its Cognate -10 Promoter Element Non Template St" 90.57 96 100.00 100.00 1.16e-61 PDB 4LUP "Crystal Structure Of The Complex Formed By Region Of E. Coli Sigmae Bound To Its -10 Element Non Template Strand" 100.00 106 100.00 100.00 1.31e-70 DBJ BAA10920 "RNA polymerase sigma E [Escherichia coli K-12]" 86.79 202 100.00 100.00 2.65e-58 DBJ BAB36862 "RNA polymerase sigma-E factor [Escherichia coli O157:H7 str. Sakai]" 86.79 191 100.00 100.00 1.36e-58 DBJ BAE76749 "RNA polymerase, sigma 24 (sigma E) factor [Escherichia coli str. K12 substr. W3110]" 86.79 191 100.00 100.00 1.36e-58 DBJ BAG78385 "RNA polymerase sigma-E factor [Escherichia coli SE11]" 86.79 191 100.00 100.00 1.36e-58 DBJ BAI26818 "RNA polymerase, sigma 24 factor [Escherichia coli O26:H11 str. 11368]" 86.79 191 100.00 100.00 1.36e-58 EMBL CAD02789 "RNA polymerase sigma-E factor (sigma-24) [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 86.79 191 98.91 100.00 3.93e-58 EMBL CAP77019 "RNA polymerase sigma-E factor [Escherichia coli LF82]" 86.79 191 100.00 100.00 1.36e-58 EMBL CAQ32948 "RNA polymerase, sigma 24 (sigma E) factor, subunit of RNA polymerase sigma 24 [Escherichia coli BL21(DE3)]" 86.79 191 100.00 100.00 1.36e-58 EMBL CAQ88049 "RNA polymerase, sigma 24 (sigma E) factor [Escherichia fergusonii ATCC 35469]" 86.79 191 98.91 98.91 2.19e-57 EMBL CAQ99523 "RNA polymerase, sigma 24 (sigma E) factor [Escherichia coli IAI1]" 86.79 191 100.00 100.00 1.36e-58 GB AAA57186 "sigma factor [Salmonella enterica subsp. enterica serovar Typhimurium]" 86.79 191 98.91 100.00 3.93e-58 GB AAC45314 "RpoE [Escherichia coli str. K-12 substr. W3110]" 86.79 191 100.00 100.00 1.36e-58 GB AAC75626 "RNA polymerase sigma E factor [Escherichia coli str. K-12 substr. MG1655]" 86.79 191 100.00 100.00 1.36e-58 GB AAG57689 "RNA polymerase, sigma-E factor; heat shock and oxidative stress [Escherichia coli O157:H7 str. EDL933]" 86.79 191 100.00 100.00 1.36e-58 GB AAL21534 "sigma E (sigma 24) factor of RNA polymerase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 86.79 191 98.91 100.00 3.93e-58 PIR AI0829 "RNA polymerase sigma-E factor (sigma-24) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 86.79 191 98.91 100.00 3.93e-58 REF NP_311466 "RNA polymerase sigma factor RpoE [Escherichia coli O157:H7 str. Sakai]" 86.79 191 100.00 100.00 1.36e-58 REF NP_417068 "RNA polymerase sigma E factor [Escherichia coli str. K-12 substr. MG1655]" 86.79 191 100.00 100.00 1.36e-58 REF NP_457116 "RNA polymerase sigma-E factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 86.79 191 98.91 100.00 3.93e-58 REF NP_461575 "ECF RNA polymerase sigma factor RpoE [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 86.79 191 98.91 100.00 3.93e-58 REF NP_708425 "RNA polymerase sigma factor RpoE [Shigella flexneri 2a str. 301]" 86.79 191 100.00 100.00 1.36e-58 SP D0ZSY9 "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor" 86.79 191 98.91 100.00 3.93e-58 SP P0A2F0 "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor; AltName: Full=Sigma-24" 86.79 191 98.91 100.00 3.93e-58 SP P0A2F1 "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor; AltName: Full=Sigma-24" 86.79 191 98.91 100.00 3.93e-58 SP P0AGB6 "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor; AltName: Full=Sigma-24" 86.79 191 100.00 100.00 1.36e-58 SP P0AGB7 "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor; AltName: Full=Sigma-24" 86.79 191 100.00 100.00 1.36e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity 'E. coli' 562 Bacteria . Escherichia coli K12 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 $entity 'recombinant technology' . Escherichia coli . pET26BII stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaPO4 10 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.07 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . 'insert at center of experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'insert at center of experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'insert at center of experimental sample tube' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'region 2 of E. coli sigmaE' _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 4 4 GLN H H 8.497 0.020 1 2 4 4 GLN HA H 4.292 0.020 1 3 4 4 GLN HB2 H 1.995 0.020 2 4 4 4 GLN HB3 H 1.892 0.020 2 5 4 4 GLN CA C 56.432 0.3 1 6 4 4 GLN CB C 30.169 0.3 1 7 4 4 GLN CG C 33.439 0.3 1 8 4 4 GLN N N 121.836 0.3 1 9 5 5 LEU H H 8.542 0.020 1 10 5 5 LEU HA H 4.534 0.020 1 11 5 5 LEU HB2 H 1.647 0.020 2 12 5 5 LEU HB3 H 1.295 0.020 2 13 5 5 LEU HG H 1.586 0.020 1 14 5 5 LEU HD1 H 0.804 0.020 1 15 5 5 LEU HD2 H 0.836 0.020 1 16 5 5 LEU CA C 53.594 0.3 1 17 5 5 LEU CB C 41.733 0.3 1 18 5 5 LEU CG C 26.574 0.3 1 19 5 5 LEU CD1 C 23.163 0.3 1 20 5 5 LEU CD2 C 25.348 0.3 1 21 5 5 LEU N N 124.114 0.3 1 22 6 6 THR H H 7.954 0.020 1 23 6 6 THR HA H 4.322 0.020 1 24 6 6 THR HB H 4.743 0.020 1 25 6 6 THR HG2 H 1.361 0.020 1 26 6 6 THR CA C 60.949 0.3 1 27 6 6 THR CB C 70.373 0.3 1 28 6 6 THR CG2 C 22.140 0.3 1 29 6 6 THR N N 114.474 0.3 1 30 7 7 ASP H H 8.937 0.020 1 31 7 7 ASP HA H 4.082 0.020 1 32 7 7 ASP HB2 H 2.794 0.020 2 33 7 7 ASP HB3 H 2.330 0.020 2 34 7 7 ASP CA C 57.440 0.3 1 35 7 7 ASP CB C 39.539 0.3 1 36 7 7 ASP N N 120.521 0.3 1 37 8 8 GLN H H 8.410 0.020 1 38 8 8 GLN HA H 3.819 0.020 1 39 8 8 GLN HB2 H 2.198 0.020 2 40 8 8 GLN HB3 H 1.957 0.020 2 41 8 8 GLN HG2 H 2.418 0.020 2 42 8 8 GLN HG3 H 2.501 0.020 2 43 8 8 GLN HE21 H 7.739 0.020 1 44 8 8 GLN HE22 H 6.750 0.020 1 45 8 8 GLN CA C 59.484 0.3 1 46 8 8 GLN CB C 27.807 0.3 1 47 8 8 GLN CG C 33.440 0.3 1 48 8 8 GLN N N 116.091 0.3 1 49 8 8 GLN NE2 N 111.686 0.3 1 50 9 9 VAL H H 7.410 0.020 1 51 9 9 VAL HA H 3.706 0.020 1 52 9 9 VAL HB H 2.103 0.020 1 53 9 9 VAL HG1 H 1.037 0.020 1 54 9 9 VAL HG2 H 0.919 0.020 1 55 9 9 VAL CA C 65.917 0.3 1 56 9 9 VAL CB C 31.328 0.3 1 57 9 9 VAL CG1 C 23.334 0.3 1 58 9 9 VAL CG2 C 21.206 0.3 1 59 9 9 VAL N N 120.140 0.3 1 60 10 10 LEU H H 7.752 0.020 1 61 10 10 LEU HA H 3.891 0.020 1 62 10 10 LEU HB2 H 1.984 0.020 2 63 10 10 LEU HB3 H 1.115 0.020 2 64 10 10 LEU HG H 1.679 0.020 1 65 10 10 LEU HD1 H 0.867 0.020 1 66 10 10 LEU HD2 H 0.722 0.020 1 67 10 10 LEU CA C 58.097 0.3 1 68 10 10 LEU CB C 41.140 0.3 1 69 10 10 LEU CG C 26.605 0.3 1 70 10 10 LEU CD1 C 24.816 0.3 1 71 10 10 LEU CD2 C 24.819 0.3 1 72 10 10 LEU N N 119.430 0.3 1 73 11 11 VAL H H 8.597 0.020 1 74 11 11 VAL HA H 3.832 0.020 1 75 11 11 VAL HB H 2.022 0.020 1 76 11 11 VAL HG1 H 0.777 0.020 1 77 11 11 VAL HG2 H 0.448 0.020 1 78 11 11 VAL CA C 59.388 0.3 1 79 11 11 VAL CB C 31.333 0.3 1 80 11 11 VAL CG1 C 21.244 0.3 1 81 11 11 VAL CG2 C 23.937 0.3 1 82 11 11 VAL N N 119.067 0.3 1 83 12 12 GLU H H 7.849 0.020 1 84 12 12 GLU HA H 4.022 0.020 1 85 12 12 GLU HB2 H 2.131 0.020 2 86 12 12 GLU HB3 H 2.055 0.020 2 87 12 12 GLU HG2 H 2.478 0.020 2 88 12 12 GLU HG3 H 2.187 0.020 2 89 12 12 GLU CA C 59.513 0.3 1 90 12 12 GLU CB C 28.959 0.3 1 91 12 12 GLU CG C 36.625 0.3 1 92 12 12 GLU N N 118.911 0.3 1 93 13 13 ARG H H 7.964 0.020 1 94 13 13 ARG HA H 4.003 0.020 1 95 13 13 ARG HB2 H 1.708 0.020 2 96 13 13 ARG HB3 H 2.099 0.020 2 97 13 13 ARG HG2 H 1.980 0.020 1 98 13 13 ARG HG3 H 1.980 0.020 1 99 13 13 ARG HD2 H 3.048 0.020 1 100 13 13 ARG HD3 H 3.048 0.020 1 101 13 13 ARG CA C 59.782 0.3 1 102 13 13 ARG CB C 27.471 0.3 1 103 13 13 ARG CG C 27.769 0.3 1 104 13 13 ARG CD C 44.093 0.3 1 105 13 13 ARG N N 117.446 0.3 1 106 14 14 VAL H H 8.408 0.020 1 107 14 14 VAL HA H 3.741 0.020 1 108 14 14 VAL HB H 2.290 0.020 1 109 14 14 VAL HG1 H 1.283 0.020 1 110 14 14 VAL HG2 H 1.021 0.020 1 111 14 14 VAL CA C 66.155 0.3 1 112 14 14 VAL CB C 31.357 0.3 1 113 14 14 VAL CG1 C 23.627 0.3 1 114 14 14 VAL CG2 C 23.309 0.3 1 115 14 14 VAL N N 121.785 0.3 1 116 15 15 GLN H H 8.597 0.020 1 117 15 15 GLN HA H 4.058 0.020 1 118 15 15 GLN HB2 H 2.350 0.020 2 119 15 15 GLN HB3 H 1.986 0.020 2 120 15 15 GLN HG2 H 2.578 0.020 2 121 15 15 GLN HG3 H 2.202 0.020 2 122 15 15 GLN HE21 H 7.247 0.020 1 123 15 15 GLN HE22 H 6.664 0.020 1 124 15 15 GLN CA C 58.467 0.3 1 125 15 15 GLN CB C 28.006 0.3 1 126 15 15 GLN CG C 34.290 0.3 1 127 15 15 GLN N N 120.193 0.3 1 128 15 15 GLN NE2 N 110.203 0.3 1 129 16 16 LYS H H 7.578 0.020 1 130 16 16 LYS HA H 4.358 0.020 1 131 16 16 LYS HB2 H 2.109 0.020 2 132 16 16 LYS HB3 H 1.856 0.020 2 133 16 16 LYS HG2 H 1.624 0.020 2 134 16 16 LYS HG3 H 1.478 0.020 2 135 16 16 LYS HD2 H 1.666 0.020 2 136 16 16 LYS HD3 H 1.609 0.020 2 137 16 16 LYS HE2 H 2.939 0.020 1 138 16 16 LYS HE3 H 2.939 0.020 1 139 16 16 LYS CA C 55.965 0.3 1 140 16 16 LYS CB C 32.208 0.3 1 141 16 16 LYS CG C 25.397 0.3 1 142 16 16 LYS CD C 28.868 0.3 1 143 16 16 LYS CE C 42.031 0.3 1 144 16 16 LYS N N 117.100 0.3 1 145 17 17 GLY H H 7.908 0.020 1 146 17 17 GLY HA2 H 4.450 0.020 2 147 17 17 GLY HA3 H 3.738 0.020 2 148 17 17 GLY CA C 45.276 0.3 1 149 17 17 GLY N N 107.064 0.3 1 150 18 18 ASP H H 8.141 0.020 1 151 18 18 ASP HA H 4.738 0.020 1 152 18 18 ASP HB2 H 2.704 0.020 2 153 18 18 ASP HB3 H 2.442 0.020 2 154 18 18 ASP CA C 52.973 0.3 1 155 18 18 ASP CB C 40.799 0.3 1 156 18 18 ASP N N 121.345 0.3 1 157 19 19 GLN H H 8.442 0.020 1 158 19 19 GLN HA H 4.131 0.020 1 159 19 19 GLN HB2 H 2.212 0.020 2 160 19 19 GLN HB3 H 2.088 0.020 2 161 19 19 GLN HG2 H 2.467 0.020 2 162 19 19 GLN HG3 H 2.431 0.020 2 163 19 19 GLN HE21 H 6.717 0.020 1 164 19 19 GLN HE22 H 7.326 0.020 1 165 19 19 GLN CA C 58.628 0.3 1 166 19 19 GLN CB C 28.362 0.3 1 167 19 19 GLN CG C 33.703 0.3 1 168 19 19 GLN N N 125.111 0.3 1 169 19 19 GLN NE2 N 111.398 0.3 1 170 20 20 LYS H H 8.327 0.020 1 171 20 20 LYS HA H 4.119 0.020 1 172 20 20 LYS HB2 H 1.980 0.020 2 173 20 20 LYS HB3 H 1.839 0.020 2 174 20 20 LYS HG2 H 1.533 0.020 2 175 20 20 LYS HG3 H 1.436 0.020 2 176 20 20 LYS HD2 H 1.678 0.020 1 177 20 20 LYS HD3 H 1.678 0.020 1 178 20 20 LYS HE2 H 2.981 0.020 1 179 20 20 LYS HE3 H 2.981 0.020 1 180 20 20 LYS CA C 58.550 0.3 1 181 20 20 LYS CB C 31.343 0.3 1 182 20 20 LYS CG C 25.116 0.3 1 183 20 20 LYS CD C 28.754 0.3 1 184 20 20 LYS CE C 41.952 0.3 1 185 20 20 LYS N N 119.275 0.3 1 186 21 21 ALA H H 7.494 0.020 1 187 21 21 ALA HA H 3.993 0.020 1 188 21 21 ALA HB H 1.444 0.020 1 189 21 21 ALA CA C 54.323 0.3 1 190 21 21 ALA CB C 18.569 0.3 1 191 21 21 ALA N N 121.620 0.3 1 192 22 22 PHE H H 7.762 0.020 1 193 22 22 PHE HA H 4.038 0.020 1 194 22 22 PHE HB2 H 3.285 0.020 2 195 22 22 PHE HB3 H 3.150 0.020 2 196 22 22 PHE HD1 H 7.201 0.020 1 197 22 22 PHE HD2 H 7.201 0.020 1 198 22 22 PHE HE1 H 7.342 0.020 1 199 22 22 PHE HE2 H 7.342 0.020 1 200 22 22 PHE HZ H 7.730 0.020 1 201 22 22 PHE CA C 61.597 0.3 1 202 22 22 PHE CB C 38.194 0.3 1 203 22 22 PHE CD1 C 132.247 0.3 1 204 22 22 PHE CE1 C 130.926 0.3 1 205 22 22 PHE CZ C 129.747 0.3 1 206 22 22 PHE N N 117.609 0.3 1 207 23 23 ASN H H 7.737 0.020 1 208 23 23 ASN HA H 4.170 0.020 1 209 23 23 ASN HB2 H 2.850 0.020 2 210 23 23 ASN HB3 H 2.749 0.020 2 211 23 23 ASN HD21 H 7.566 0.020 1 212 23 23 ASN HD22 H 6.940 0.020 1 213 23 23 ASN CA C 56.208 0.3 1 214 23 23 ASN CB C 37.887 0.3 1 215 23 23 ASN N N 115.810 0.3 1 216 23 23 ASN ND2 N 111.926 0.3 1 217 24 24 LEU H H 7.385 0.020 1 218 24 24 LEU HA H 4.010 0.020 1 219 24 24 LEU HB2 H 2.011 0.020 2 220 24 24 LEU HB3 H 1.353 0.020 2 221 24 24 LEU HG H 1.692 0.020 1 222 24 24 LEU HD1 H 0.868 0.020 1 223 24 24 LEU HD2 H 0.813 0.020 1 224 24 24 LEU CA C 57.733 0.3 1 225 24 24 LEU CB C 41.369 0.3 1 226 24 24 LEU CG C 27.174 0.3 1 227 24 24 LEU CD1 C 24.925 0.3 1 228 24 24 LEU CD2 C 23.005 0.3 1 229 24 24 LEU N N 117.795 0.3 1 230 25 25 LEU H H 7.115 0.020 1 231 25 25 LEU HA H 3.961 0.020 1 232 25 25 LEU HB2 H 1.829 0.020 2 233 25 25 LEU HB3 H 1.168 0.020 2 234 25 25 LEU HG H 1.531 0.020 1 235 25 25 LEU HD1 H 0.626 0.020 1 236 25 25 LEU HD2 H 0.493 0.020 1 237 25 25 LEU CA C 57.770 0.3 1 238 25 25 LEU CB C 41.646 0.3 1 239 25 25 LEU CG C 26.345 0.3 1 240 25 25 LEU CD1 C 23.223 0.3 1 241 25 25 LEU CD2 C 24.513 0.3 1 242 25 25 LEU N N 120.574 0.3 1 243 26 26 VAL H H 7.513 0.020 1 244 26 26 VAL HA H 2.843 0.020 1 245 26 26 VAL HB H 1.765 0.020 1 246 26 26 VAL HG1 H 0.102 0.020 1 247 26 26 VAL HG2 H 0.136 0.020 1 248 26 26 VAL CA C 65.743 0.3 1 249 26 26 VAL CB C 30.577 0.3 1 250 26 26 VAL CG1 C 21.821 0.3 1 251 26 26 VAL CG2 C 20.071 0.3 1 252 26 26 VAL N N 119.626 0.3 1 253 27 27 VAL H H 7.822 0.020 1 254 27 27 VAL HA H 3.554 0.020 1 255 27 27 VAL HB H 1.974 0.020 1 256 27 27 VAL HG1 H 0.968 0.020 1 257 27 27 VAL HG2 H 0.890 0.020 1 258 27 27 VAL CA C 65.759 0.3 1 259 27 27 VAL CB C 31.638 0.3 1 260 27 27 VAL CG1 C 22.259 0.3 1 261 27 27 VAL CG2 C 20.921 0.3 1 262 27 27 VAL N N 117.230 0.3 1 263 28 28 ARG H H 7.547 0.020 1 264 28 28 ARG HA H 3.898 0.020 1 265 28 28 ARG HB2 H 1.922 0.020 2 266 28 28 ARG HB3 H 1.638 0.020 2 267 28 28 ARG HG2 H 1.457 0.020 2 268 28 28 ARG HG3 H 0.826 0.020 2 269 28 28 ARG HD2 H 3.227 0.020 2 270 28 28 ARG HD3 H 2.874 0.020 2 271 28 28 ARG CA C 58.939 0.3 1 272 28 28 ARG CB C 30.990 0.3 1 273 28 28 ARG CG C 26.155 0.3 1 274 28 28 ARG CD C 44.096 0.3 1 275 28 28 ARG N N 118.438 0.3 1 276 29 29 TYR H H 7.791 0.020 1 277 29 29 TYR HA H 4.844 0.020 1 278 29 29 TYR HB2 H 3.530 0.020 2 279 29 29 TYR HB3 H 2.881 0.020 2 280 29 29 TYR HD1 H 7.393 0.020 1 281 29 29 TYR HD2 H 7.393 0.020 1 282 29 29 TYR HE1 H 6.942 0.020 1 283 29 29 TYR HE2 H 6.942 0.020 1 284 29 29 TYR CA C 60.998 0.3 1 285 29 29 TYR CB C 40.847 0.3 1 286 29 29 TYR CD2 C 132.844 0.3 1 287 29 29 TYR CE2 C 118.287 0.3 1 288 29 29 TYR N N 112.829 0.3 1 289 30 30 GLN H H 9.056 0.020 1 290 30 30 GLN HA H 4.152 0.020 1 291 30 30 GLN HB2 H 2.230 0.020 2 292 30 30 GLN HB3 H 2.083 0.020 2 293 30 30 GLN HG2 H 1.965 0.020 2 294 30 30 GLN HG3 H 2.367 0.020 2 295 30 30 GLN HE21 H 7.205 0.020 1 296 30 30 GLN HE22 H 6.677 0.020 1 297 30 30 GLN CA C 61.284 0.3 1 298 30 30 GLN CB C 26.877 0.3 1 299 30 30 GLN CG C 32.219 0.3 1 300 30 30 GLN N N 123.084 0.3 1 301 30 30 GLN NE2 N 109.609 0.3 1 302 31 31 HIS H H 8.486 0.020 1 303 31 31 HIS HA H 4.476 0.020 1 304 31 31 HIS HB2 H 3.148 0.020 2 305 31 31 HIS HB3 H 3.111 0.020 2 306 31 31 HIS CA C 59.280 0.3 1 307 31 31 HIS CB C 29.558 0.3 1 308 31 31 HIS N N 122.297 0.3 1 309 32 32 LYS H H 7.801 0.020 1 310 32 32 LYS HA H 4.081 0.020 1 311 32 32 LYS HB2 H 2.122 0.020 2 312 32 32 LYS HB3 H 2.214 0.020 2 313 32 32 LYS HG2 H 1.537 0.020 1 314 32 32 LYS HG3 H 1.537 0.020 1 315 32 32 LYS HD2 H 1.749 0.020 1 316 32 32 LYS HD3 H 1.749 0.020 1 317 32 32 LYS HE2 H 2.917 0.020 1 318 32 32 LYS HE3 H 2.917 0.020 1 319 32 32 LYS CA C 58.919 0.3 1 320 32 32 LYS CB C 32.569 0.3 1 321 32 32 LYS CG C 25.601 0.3 1 322 32 32 LYS CD C 28.970 0.3 1 323 32 32 LYS CE C 41.999 0.3 1 324 32 32 LYS N N 122.300 0.3 1 325 33 33 VAL H H 8.773 0.020 1 326 33 33 VAL HA H 3.480 0.020 1 327 33 33 VAL HB H 2.192 0.020 1 328 33 33 VAL HG1 H 0.968 0.020 1 329 33 33 VAL HG2 H 0.671 0.020 1 330 33 33 VAL CA C 66.912 0.3 1 331 33 33 VAL CB C 31.020 0.3 1 332 33 33 VAL CG1 C 23.915 0.3 1 333 33 33 VAL CG2 C 22.097 0.3 1 334 33 33 VAL N N 119.668 0.3 1 335 34 34 ALA H H 8.489 0.020 1 336 34 34 ALA HA H 3.766 0.020 1 337 34 34 ALA HB H 1.458 0.020 1 338 34 34 ALA CA C 55.657 0.3 1 339 34 34 ALA CB C 17.538 0.3 1 340 34 34 ALA N N 122.504 0.3 1 341 35 35 SER H H 7.903 0.020 1 342 35 35 SER HA H 4.071 0.020 1 343 35 35 SER HB2 H 3.915 0.020 2 344 35 35 SER HB3 H 3.874 0.020 2 345 35 35 SER CA C 61.635 0.3 1 346 35 35 SER CB C 62.638 0.3 1 347 35 35 SER N N 113.320 0.3 1 348 36 36 LEU H H 7.518 0.020 1 349 36 36 LEU HA H 4.080 0.020 1 350 36 36 LEU HB2 H 1.655 0.020 2 351 36 36 LEU HB3 H 1.575 0.020 2 352 36 36 LEU HG H 1.403 0.020 1 353 36 36 LEU HD1 H 0.889 0.020 1 354 36 36 LEU HD2 H 0.612 0.020 1 355 36 36 LEU CA C 57.752 0.3 1 356 36 36 LEU CB C 42.334 0.3 1 357 36 36 LEU CG C 26.508 0.3 1 358 36 36 LEU CD1 C 25.772 0.3 1 359 36 36 LEU CD2 C 24.921 0.3 1 360 36 36 LEU N N 122.623 0.3 1 361 37 37 VAL H H 8.596 0.020 1 362 37 37 VAL HA H 3.751 0.020 1 363 37 37 VAL HB H 2.136 0.020 1 364 37 37 VAL HG1 H 0.913 0.020 1 365 37 37 VAL HG2 H 0.851 0.020 1 366 37 37 VAL CA C 65.776 0.3 1 367 37 37 VAL CB C 31.320 0.3 1 368 37 37 VAL CG1 C 21.960 0.3 1 369 37 37 VAL CG2 C 22.117 0.3 1 370 37 37 VAL N N 113.939 0.3 1 371 38 38 SER H H 8.179 0.020 1 372 38 38 SER HA H 4.265 0.020 1 373 38 38 SER HB2 H 4.073 0.020 2 374 38 38 SER HB3 H 4.026 0.020 2 375 38 38 SER CA C 60.714 0.3 1 376 38 38 SER CB C 63.063 0.3 1 377 38 38 SER N N 116.049 0.3 1 378 39 39 ARG H H 7.292 0.020 1 379 39 39 ARG HA H 4.022 0.020 1 380 39 39 ARG HB2 H 1.376 0.020 2 381 39 39 ARG HB3 H 1.506 0.020 2 382 39 39 ARG HG2 H 1.586 0.020 2 383 39 39 ARG HG3 H 1.375 0.020 2 384 39 39 ARG HD2 H 3.020 0.020 1 385 39 39 ARG HD3 H 3.020 0.020 1 386 39 39 ARG CA C 57.401 0.3 1 387 39 39 ARG CB C 29.566 0.3 1 388 39 39 ARG CG C 26.858 0.3 1 389 39 39 ARG CD C 43.390 0.3 1 390 39 39 ARG N N 118.931 0.3 1 391 40 40 TYR H H 7.809 0.020 1 392 40 40 TYR HA H 4.502 0.020 1 393 40 40 TYR HB2 H 3.093 0.020 2 394 40 40 TYR HB3 H 2.680 0.020 2 395 40 40 TYR HD1 H 7.096 0.020 1 396 40 40 TYR HD2 H 7.096 0.020 1 397 40 40 TYR HE1 H 6.665 0.020 1 398 40 40 TYR HE2 H 6.665 0.020 1 399 40 40 TYR CA C 58.976 0.3 1 400 40 40 TYR CB C 42.285 0.3 1 401 40 40 TYR CD1 C 133.203 0.3 1 402 40 40 TYR CE1 C 118.086 0.3 1 403 40 40 TYR N N 114.038 0.3 1 404 41 41 VAL H H 7.353 0.020 1 405 41 41 VAL HA H 4.907 0.020 1 406 41 41 VAL HB H 2.088 0.020 1 407 41 41 VAL HG1 H 0.843 0.020 1 408 41 41 VAL HG2 H 0.651 0.020 1 409 41 41 VAL CA C 57.713 0.3 1 410 41 41 VAL CB C 32.855 0.3 1 411 41 41 VAL CG1 C 21.675 0.3 1 412 41 41 VAL CG2 C 19.227 0.3 1 413 41 41 VAL N N 112.714 0.3 1 414 42 42 PRO HA H 4.421 0.020 1 415 42 42 PRO HB2 H 1.976 0.020 2 416 42 42 PRO HB3 H 2.390 0.020 2 417 42 42 PRO HG2 H 2.105 0.020 2 418 42 42 PRO HG3 H 1.959 0.020 2 419 42 42 PRO HD2 H 3.847 0.020 1 420 42 42 PRO HD3 H 3.847 0.020 1 421 42 42 PRO CA C 62.479 0.3 1 422 42 42 PRO CB C 32.542 0.3 1 423 42 42 PRO CG C 27.840 0.3 1 424 42 42 PRO CD C 50.896 0.3 1 425 43 43 SER H H 8.647 0.020 1 426 43 43 SER HA H 4.021 0.020 1 427 43 43 SER CA C 61.940 0.3 1 428 43 43 SER CB C 58.147 0.3 1 429 43 43 SER N N 116.960 0.3 1 430 44 44 GLY H H 8.839 0.020 1 431 44 44 GLY HA2 H 3.884 0.020 2 432 44 44 GLY HA3 H 3.823 0.020 2 433 44 44 GLY CA C 46.165 0.3 1 434 44 44 GLY N N 107.725 0.3 1 435 45 45 ASP H H 7.763 0.020 1 436 45 45 ASP HA H 4.881 0.020 1 437 45 45 ASP HB2 H 2.677 0.020 2 438 45 45 ASP HB3 H 2.371 0.020 2 439 45 45 ASP CA C 54.731 0.3 1 440 45 45 ASP CB C 42.329 0.3 1 441 45 45 ASP N N 117.523 0.3 1 442 46 46 VAL H H 7.184 0.020 1 443 46 46 VAL HA H 3.251 0.020 1 444 46 46 VAL HB H 2.315 0.020 1 445 46 46 VAL HG1 H 0.913 0.020 1 446 46 46 VAL HG2 H 0.824 0.020 1 447 46 46 VAL CA C 68.653 0.3 1 448 46 46 VAL CB C 29.555 0.3 1 449 46 46 VAL CG1 C 25.067 0.3 1 450 46 46 VAL CG2 C 21.229 0.3 1 451 46 46 VAL N N 119.354 0.3 1 452 47 47 PRO HA H 4.134 0.020 1 453 47 47 PRO HB2 H 1.869 0.020 2 454 47 47 PRO HB3 H 2.272 0.020 2 455 47 47 PRO HG2 H 1.898 0.020 2 456 47 47 PRO HG3 H 2.100 0.020 2 457 47 47 PRO HD2 H 3.683 0.020 2 458 47 47 PRO HD3 H 3.537 0.020 2 459 47 47 PRO CA C 66.325 0.3 1 460 47 47 PRO CB C 30.646 0.3 1 461 47 47 PRO CG C 28.695 0.3 1 462 47 47 PRO CD C 49.135 0.3 1 463 48 48 ASP H H 7.504 0.020 1 464 48 48 ASP HA H 4.406 0.020 1 465 48 48 ASP HB2 H 2.701 0.020 2 466 48 48 ASP HB3 H 2.671 0.020 2 467 48 48 ASP CA C 57.138 0.3 1 468 48 48 ASP CB C 40.514 0.3 1 469 48 48 ASP N N 116.915 0.3 1 470 49 49 VAL H H 7.759 0.020 1 471 49 49 VAL HA H 3.343 0.020 1 472 49 49 VAL HB H 1.768 0.020 1 473 49 49 VAL HG1 H 0.624 0.020 1 474 49 49 VAL HG2 H 0.254 0.020 1 475 49 49 VAL CA C 66.090 0.3 1 476 49 49 VAL CB C 30.616 0.3 1 477 49 49 VAL CG1 C 22.124 0.3 1 478 49 49 VAL CG2 C 22.461 0.3 1 479 49 49 VAL N N 121.927 0.3 1 480 50 50 VAL H H 8.706 0.020 1 481 50 50 VAL HA H 3.230 0.020 1 482 50 50 VAL HB H 2.216 0.020 1 483 50 50 VAL HG1 H 1.118 0.020 1 484 50 50 VAL HG2 H 0.929 0.020 1 485 50 50 VAL CA C 67.236 0.3 1 486 50 50 VAL CB C 31.468 0.3 1 487 50 50 VAL CG1 C 21.501 0.3 1 488 50 50 VAL CG2 C 24.030 0.3 1 489 50 50 VAL N N 120.541 0.3 1 490 51 51 GLN H H 7.753 0.020 1 491 51 51 GLN HA H 4.228 0.020 1 492 51 51 GLN HB2 H 2.248 0.020 1 493 51 51 GLN HB3 H 2.248 0.020 1 494 51 51 GLN HG2 H 2.498 0.020 2 495 51 51 GLN HG3 H 2.471 0.020 2 496 51 51 GLN HE21 H 7.465 0.020 1 497 51 51 GLN HE22 H 6.818 0.020 1 498 51 51 GLN CA C 59.226 0.3 1 499 51 51 GLN CB C 28.364 0.3 1 500 51 51 GLN CG C 33.929 0.3 1 501 51 51 GLN N N 116.338 0.3 1 502 51 51 GLN NE2 N 111.370 0.3 1 503 52 52 GLU H H 7.980 0.020 1 504 52 52 GLU HA H 4.093 0.020 1 505 52 52 GLU HB2 H 2.141 0.020 2 506 52 52 GLU HB3 H 2.011 0.020 2 507 52 52 GLU HG2 H 2.308 0.020 2 508 52 52 GLU HG3 H 2.219 0.020 2 509 52 52 GLU CA C 59.077 0.3 1 510 52 52 GLU CB C 28.924 0.3 1 511 52 52 GLU CG C 35.815 0.3 1 512 52 52 GLU N N 119.610 0.3 1 513 53 53 ALA H H 8.710 0.020 1 514 53 53 ALA HA H 3.914 0.020 1 515 53 53 ALA HB H 1.112 0.020 1 516 53 53 ALA CA C 55.080 0.3 1 517 53 53 ALA CB C 16.773 0.3 1 518 53 53 ALA N N 121.821 0.3 1 519 54 54 PHE H H 8.039 0.020 1 520 54 54 PHE HA H 4.449 0.020 1 521 54 54 PHE HB2 H 3.339 0.020 2 522 54 54 PHE HB3 H 3.187 0.020 2 523 54 54 PHE HD1 H 7.419 0.020 1 524 54 54 PHE HD2 H 7.419 0.020 1 525 54 54 PHE HE1 H 7.078 0.020 1 526 54 54 PHE HE2 H 7.078 0.020 1 527 54 54 PHE HZ H 6.901 0.020 1 528 54 54 PHE CA C 63.361 0.3 1 529 54 54 PHE CB C 38.747 0.3 1 530 54 54 PHE CD1 C 132.355 0.3 1 531 54 54 PHE CE1 C 130.324 0.3 1 532 54 54 PHE CZ C 128.601 0.3 1 533 54 54 PHE N N 114.149 0.3 1 534 55 55 ILE H H 8.213 0.020 1 535 55 55 ILE HA H 3.956 0.020 1 536 55 55 ILE HB H 2.052 0.020 1 537 55 55 ILE HG12 H 1.762 0.020 2 538 55 55 ILE HG13 H 1.220 0.020 2 539 55 55 ILE HG2 H 0.959 0.020 1 540 55 55 ILE HD1 H 0.857 0.020 1 541 55 55 ILE CA C 64.891 0.3 1 542 55 55 ILE CB C 37.487 0.3 1 543 55 55 ILE CG1 C 29.232 0.3 1 544 55 55 ILE CG2 C 17.094 0.3 1 545 55 55 ILE CD1 C 12.911 0.3 1 546 55 55 ILE N N 122.502 0.3 1 547 56 56 LYS H H 8.500 0.020 1 548 56 56 LYS HA H 3.879 0.020 1 549 56 56 LYS HB2 H 1.844 0.020 2 550 56 56 LYS HB3 H 1.611 0.020 2 551 56 56 LYS HG2 H 1.401 0.020 1 552 56 56 LYS HG3 H 1.401 0.020 1 553 56 56 LYS HD2 H 1.569 0.020 1 554 56 56 LYS HD3 H 1.569 0.020 1 555 56 56 LYS HE2 H 2.912 0.020 1 556 56 56 LYS HE3 H 2.912 0.020 1 557 56 56 LYS CA C 59.203 0.3 1 558 56 56 LYS CB C 31.382 0.3 1 559 56 56 LYS CG C 25.407 0.3 1 560 56 56 LYS CD C 28.651 0.3 1 561 56 56 LYS CE C 42.019 0.3 1 562 56 56 LYS N N 120.433 0.3 1 563 57 57 ALA H H 8.542 0.020 1 564 57 57 ALA HA H 4.023 0.020 1 565 57 57 ALA HB H 1.608 0.020 1 566 57 57 ALA CA C 54.768 0.3 1 567 57 57 ALA CB C 17.986 0.3 1 568 57 57 ALA N N 121.318 0.3 1 569 58 58 TYR H H 8.447 0.020 1 570 58 58 TYR HA H 3.629 0.020 1 571 58 58 TYR HB2 H 2.998 0.020 2 572 58 58 TYR HB3 H 2.606 0.020 2 573 58 58 TYR HD1 H 6.226 0.020 1 574 58 58 TYR HD2 H 6.226 0.020 1 575 58 58 TYR HE1 H 6.555 0.020 1 576 58 58 TYR HE2 H 6.555 0.020 1 577 58 58 TYR CA C 61.601 0.3 1 578 58 58 TYR CB C 37.707 0.3 1 579 58 58 TYR CD1 C 132.355 0.3 1 580 58 58 TYR CE1 C 117.900 0.3 1 581 58 58 TYR N N 117.483 0.3 1 582 59 59 ARG H H 8.128 0.020 1 583 59 59 ARG HA H 3.896 0.020 1 584 59 59 ARG HB2 H 1.947 0.020 2 585 59 59 ARG HB3 H 1.888 0.020 2 586 59 59 ARG HG2 H 1.776 0.020 1 587 59 59 ARG HG3 H 1.776 0.020 1 588 59 59 ARG HD2 H 3.178 0.020 2 589 59 59 ARG HD3 H 3.129 0.020 2 590 59 59 ARG CA C 58.265 0.3 1 591 59 59 ARG CB C 30.045 0.3 1 592 59 59 ARG CG C 27.765 0.3 1 593 59 59 ARG CD C 43.214 0.3 1 594 59 59 ARG N N 116.176 0.3 1 595 60 60 ALA H H 7.881 0.020 1 596 60 60 ALA HA H 4.773 0.020 1 597 60 60 ALA HB H 1.591 0.020 1 598 60 60 ALA CA C 51.517 0.3 1 599 60 60 ALA CB C 19.135 0.3 1 600 60 60 ALA N N 119.750 0.3 1 601 61 61 LEU H H 7.582 0.020 1 602 61 61 LEU HA H 4.100 0.020 1 603 61 61 LEU HB2 H 1.983 0.020 2 604 61 61 LEU HB3 H 1.577 0.020 2 605 61 61 LEU HG H 2.053 0.020 1 606 61 61 LEU HD1 H 0.913 0.020 1 607 61 61 LEU HD2 H 0.890 0.020 1 608 61 61 LEU CA C 58.031 0.3 1 609 61 61 LEU CB C 42.026 0.3 1 610 61 61 LEU CG C 26.876 0.3 1 611 61 61 LEU CD1 C 25.067 0.3 1 612 61 61 LEU CD2 C 25.698 0.3 1 613 61 61 LEU N N 124.006 0.3 1 614 62 62 ASP H H 8.503 0.020 1 615 62 62 ASP HA H 4.326 0.020 1 616 62 62 ASP HB2 H 2.629 0.020 1 617 62 62 ASP HB3 H 2.629 0.020 1 618 62 62 ASP CA C 56.466 0.3 1 619 62 62 ASP CB C 39.677 0.3 1 620 62 62 ASP N N 117.570 0.3 1 621 63 63 SER H H 8.295 0.020 1 622 63 63 SER HA H 4.451 0.020 1 623 63 63 SER HB2 H 4.220 0.020 2 624 63 63 SER HB3 H 4.019 0.020 2 625 63 63 SER CA C 58.356 0.3 1 626 63 63 SER CB C 64.568 0.3 1 627 63 63 SER N N 112.949 0.3 1 628 64 64 PHE H H 7.564 0.020 1 629 64 64 PHE HA H 4.171 0.020 1 630 64 64 PHE HB2 H 2.579 0.020 2 631 64 64 PHE HB3 H 1.587 0.020 2 632 64 64 PHE HD1 H 6.420 0.020 1 633 64 64 PHE HD2 H 6.420 0.020 1 634 64 64 PHE HE1 H 7.143 0.020 1 635 64 64 PHE HE2 H 7.143 0.020 1 636 64 64 PHE HZ H 7.348 0.020 1 637 64 64 PHE CA C 57.702 0.3 1 638 64 64 PHE CB C 37.881 0.3 1 639 64 64 PHE CD2 C 131.972 0.3 1 640 64 64 PHE CE2 C 130.950 0.3 1 641 64 64 PHE CZ C 129.479 0.3 1 642 64 64 PHE N N 124.863 0.3 1 643 65 65 ARG H H 8.242 0.020 1 644 65 65 ARG HA H 4.195 0.020 1 645 65 65 ARG HB2 H 1.784 0.020 2 646 65 65 ARG HB3 H 1.491 0.020 2 647 65 65 ARG HG2 H 1.419 0.020 1 648 65 65 ARG HG3 H 1.419 0.020 1 649 65 65 ARG HD2 H 3.087 0.020 1 650 65 65 ARG HD3 H 3.087 0.020 1 651 65 65 ARG CA C 54.515 0.3 1 652 65 65 ARG CB C 30.465 0.3 1 653 65 65 ARG CG C 26.583 0.3 1 654 65 65 ARG CD C 42.868 0.3 1 655 65 65 ARG N N 127.111 0.3 1 656 66 66 GLY H H 5.936 0.020 1 657 66 66 GLY HA2 H 3.775 0.020 2 658 66 66 GLY HA3 H 3.363 0.020 2 659 66 66 GLY CA C 46.157 0.3 1 660 66 66 GLY N N 104.341 0.3 1 661 67 67 ASP H H 8.128 0.020 1 662 67 67 ASP HA H 4.370 0.020 1 663 67 67 ASP HB2 H 2.701 0.020 2 664 67 67 ASP HB3 H 2.488 0.020 2 665 67 67 ASP CA C 53.900 0.3 1 666 67 67 ASP CB C 39.634 0.3 1 667 67 67 ASP N N 117.451 0.3 1 668 68 68 SER H H 7.584 0.020 1 669 68 68 SER HA H 4.545 0.020 1 670 68 68 SER HB2 H 3.909 0.020 2 671 68 68 SER HB3 H 3.764 0.020 2 672 68 68 SER CA C 56.581 0.3 1 673 68 68 SER CB C 66.045 0.3 1 674 68 68 SER N N 112.731 0.3 1 675 69 69 ALA H H 8.469 0.020 1 676 69 69 ALA HA H 4.420 0.020 1 677 69 69 ALA HB H 1.232 0.020 1 678 69 69 ALA CA C 52.389 0.3 1 679 69 69 ALA CB C 18.257 0.3 1 680 69 69 ALA N N 122.244 0.3 1 681 70 70 PHE H H 9.250 0.020 1 682 70 70 PHE HA H 3.899 0.020 1 683 70 70 PHE HB2 H 3.071 0.020 2 684 70 70 PHE HB3 H 2.969 0.020 2 685 70 70 PHE HD1 H 6.352 0.020 1 686 70 70 PHE HD2 H 6.352 0.020 1 687 70 70 PHE HE1 H 6.881 0.020 1 688 70 70 PHE HE2 H 6.881 0.020 1 689 70 70 PHE HZ H 6.941 0.020 1 690 70 70 PHE CA C 61.855 0.3 1 691 70 70 PHE CB C 38.164 0.3 1 692 70 70 PHE CD2 C 131.487 0.3 1 693 70 70 PHE CE2 C 131.300 0.3 1 694 70 70 PHE CZ C 127.797 0.3 1 695 70 70 PHE N N 125.361 0.3 1 696 71 71 TYR H H 8.315 0.020 1 697 71 71 TYR HA H 3.247 0.020 1 698 71 71 TYR HB2 H 2.948 0.020 2 699 71 71 TYR HB3 H 2.608 0.020 2 700 71 71 TYR HD1 H 6.986 0.020 1 701 71 71 TYR HD2 H 6.986 0.020 1 702 71 71 TYR HE1 H 6.804 0.020 1 703 71 71 TYR HE2 H 6.804 0.020 1 704 71 71 TYR CA C 60.095 0.3 1 705 71 71 TYR CB C 35.773 0.3 1 706 71 71 TYR CD1 C 133.929 0.3 1 707 71 71 TYR CE1 C 118.164 0.3 1 708 71 71 TYR N N 114.896 0.3 1 709 72 72 THR H H 5.906 0.020 1 710 72 72 THR HA H 3.477 0.020 1 711 72 72 THR HB H 3.897 0.020 1 712 72 72 THR HG2 H 1.123 0.020 1 713 72 72 THR CA C 65.532 0.3 1 714 72 72 THR CB C 68.433 0.3 1 715 72 72 THR CG2 C 21.838 0.3 1 716 72 72 THR N N 115.281 0.3 1 717 73 73 TRP H H 7.083 0.020 1 718 73 73 TRP HA H 3.905 0.020 1 719 73 73 TRP HB2 H 3.152 0.020 2 720 73 73 TRP HB3 H 3.076 0.020 2 721 73 73 TRP HD1 H 7.352 0.020 1 722 73 73 TRP HE1 H 9.984 0.020 1 723 73 73 TRP HE3 H 6.569 0.020 1 724 73 73 TRP HZ2 H 7.204 0.020 1 725 73 73 TRP HZ3 H 6.670 0.020 1 726 73 73 TRP HH2 H 7.438 0.020 1 727 73 73 TRP CA C 61.371 0.3 1 728 73 73 TRP CB C 28.997 0.3 1 729 73 73 TRP CD1 C 127.176 0.3 1 730 73 73 TRP CE3 C 120.252 0.3 1 731 73 73 TRP CZ2 C 114.314 0.3 1 732 73 73 TRP CZ3 C 121.467 0.3 1 733 73 73 TRP CH2 C 124.711 0.3 1 734 73 73 TRP N N 123.677 0.3 1 735 73 73 TRP NE1 N 128.352 0.3 1 736 74 74 LEU H H 8.175 0.020 1 737 74 74 LEU HA H 3.217 0.020 1 738 74 74 LEU HB2 H 1.107 0.020 2 739 74 74 LEU HB3 H 0.437 0.020 2 740 74 74 LEU HG H 0.960 0.020 1 741 74 74 LEU HD1 H 0.432 0.020 1 742 74 74 LEU HD2 H 0.515 0.020 1 743 74 74 LEU CA C 56.839 0.3 1 744 74 74 LEU CB C 41.119 0.3 1 745 74 74 LEU CG C 26.833 0.3 1 746 74 74 LEU CD1 C 21.831 0.3 1 747 74 74 LEU CD2 C 26.021 0.3 1 748 74 74 LEU N N 120.351 0.3 1 749 75 75 TYR H H 8.632 0.020 1 750 75 75 TYR HA H 3.886 0.020 1 751 75 75 TYR HB2 H 3.018 0.020 2 752 75 75 TYR HB3 H 2.864 0.020 2 753 75 75 TYR HD1 H 6.767 0.020 1 754 75 75 TYR HD2 H 6.767 0.020 1 755 75 75 TYR HE1 H 6.701 0.020 1 756 75 75 TYR HE2 H 6.701 0.020 1 757 75 75 TYR CA C 58.091 0.3 1 758 75 75 TYR CB C 36.073 0.3 1 759 75 75 TYR CD1 C 131.468 0.3 1 760 75 75 TYR CE1 C 117.542 0.3 1 761 75 75 TYR N N 118.772 0.3 1 762 76 76 ARG H H 7.322 0.020 1 763 76 76 ARG HA H 3.811 0.020 1 764 76 76 ARG HB2 H 1.692 0.020 2 765 76 76 ARG HB3 H 1.460 0.020 2 766 76 76 ARG HG2 H 1.747 0.020 1 767 76 76 ARG HG3 H 1.747 0.020 1 768 76 76 ARG HD2 H 3.116 0.020 1 769 76 76 ARG HD3 H 3.116 0.020 1 770 76 76 ARG CA C 59.508 0.3 1 771 76 76 ARG CB C 27.174 0.3 1 772 76 76 ARG CG C 29.230 0.3 1 773 76 76 ARG CD C 43.127 0.3 1 774 76 76 ARG N N 118.716 0.3 1 775 77 77 ILE H H 6.962 0.020 1 776 77 77 ILE HA H 3.410 0.020 1 777 77 77 ILE HB H 1.462 0.020 1 778 77 77 ILE HG12 H 0.754 0.020 2 779 77 77 ILE HG13 H 0.398 0.020 2 780 77 77 ILE HG2 H 0.483 0.020 1 781 77 77 ILE HD1 H -0.422 0.020 1 782 77 77 ILE CA C 64.284 0.3 1 783 77 77 ILE CB C 37.244 0.3 1 784 77 77 ILE CG1 C 28.316 0.3 1 785 77 77 ILE CG2 C 16.641 0.3 1 786 77 77 ILE CD1 C 11.038 0.3 1 787 77 77 ILE N N 119.825 0.3 1 788 78 78 ALA H H 8.718 0.020 1 789 78 78 ALA HA H 3.606 0.020 1 790 78 78 ALA HB H 1.163 0.020 1 791 78 78 ALA CA C 55.641 0.3 1 792 78 78 ALA CB C 18.236 0.3 1 793 78 78 ALA N N 125.399 0.3 1 794 79 79 VAL H H 8.312 0.020 1 795 79 79 VAL HA H 3.068 0.020 1 796 79 79 VAL HB H 1.832 0.020 1 797 79 79 VAL HG1 H 0.860 0.020 1 798 79 79 VAL HG2 H 0.599 0.020 1 799 79 79 VAL CA C 67.057 0.3 1 800 79 79 VAL CB C 31.370 0.3 1 801 79 79 VAL CG1 C 23.319 0.3 1 802 79 79 VAL CG2 C 20.629 0.3 1 803 79 79 VAL N N 117.922 0.3 1 804 80 80 ASN H H 7.845 0.020 1 805 80 80 ASN HA H 4.170 0.020 1 806 80 80 ASN HB2 H 2.710 0.020 2 807 80 80 ASN HB3 H 2.597 0.020 2 808 80 80 ASN HD21 H 6.776 0.020 1 809 80 80 ASN HD22 H 7.402 0.020 1 810 80 80 ASN CA C 56.242 0.3 1 811 80 80 ASN CB C 37.888 0.3 1 812 80 80 ASN N N 117.896 0.3 1 813 80 80 ASN ND2 N 112.125 0.3 1 814 81 81 THR H H 8.199 0.020 1 815 81 81 THR HA H 3.769 0.020 1 816 81 81 THR HB H 4.107 0.020 1 817 81 81 THR HG2 H 1.107 0.020 1 818 81 81 THR CA C 66.887 0.3 1 819 81 81 THR CB C 68.135 0.3 1 820 81 81 THR CG2 C 20.899 0.3 1 821 81 81 THR N N 116.982 0.3 1 822 82 82 ALA H H 8.104 0.020 1 823 82 82 ALA HA H 3.800 0.020 1 824 82 82 ALA HB H 1.315 0.020 1 825 82 82 ALA CA C 55.079 0.3 1 826 82 82 ALA CB C 18.012 0.3 1 827 82 82 ALA N N 124.705 0.3 1 828 83 83 LYS H H 8.257 0.020 1 829 83 83 LYS HA H 4.165 0.020 1 830 83 83 LYS HB2 H 1.702 0.020 2 831 83 83 LYS HB3 H 1.648 0.020 2 832 83 83 LYS HG2 H 1.252 0.020 2 833 83 83 LYS HG3 H 1.120 0.020 2 834 83 83 LYS HD2 H 1.462 0.020 1 835 83 83 LYS HD3 H 1.462 0.020 1 836 83 83 LYS HE2 H 2.785 0.020 2 837 83 83 LYS HE3 H 2.676 0.020 2 838 83 83 LYS CA C 56.256 0.3 1 839 83 83 LYS CB C 31.906 0.3 1 840 83 83 LYS CG C 25.604 0.3 1 841 83 83 LYS CD C 29.253 0.3 1 842 83 83 LYS CE C 41.716 0.3 1 843 83 83 LYS N N 115.777 0.3 1 844 84 84 ASN H H 7.770 0.020 1 845 84 84 ASN HA H 4.494 0.020 1 846 84 84 ASN HB2 H 2.768 0.020 1 847 84 84 ASN HB3 H 2.768 0.020 1 848 84 84 ASN HD21 H 7.530 0.020 1 849 84 84 ASN HD22 H 6.801 0.020 1 850 84 84 ASN CA C 55.013 0.3 1 851 84 84 ASN CB C 38.672 0.3 1 852 84 84 ASN N N 116.514 0.3 1 853 84 84 ASN ND2 N 112.707 0.3 1 854 85 85 TYR H H 7.895 0.020 1 855 85 85 TYR HA H 4.154 0.020 1 856 85 85 TYR HB2 H 3.154 0.020 2 857 85 85 TYR HB3 H 3.114 0.020 2 858 85 85 TYR HD1 H 6.937 0.020 1 859 85 85 TYR HD2 H 6.937 0.020 1 860 85 85 TYR HE1 H 6.669 0.020 1 861 85 85 TYR HE2 H 6.669 0.020 1 862 85 85 TYR CA C 61.126 0.3 1 863 85 85 TYR CB C 38.175 0.3 1 864 85 85 TYR CD1 C 133.409 0.3 1 865 85 85 TYR CE1 C 118.253 0.3 1 866 85 85 TYR N N 122.857 0.3 1 867 86 86 LEU H H 7.790 0.020 1 868 86 86 LEU HA H 4.014 0.020 1 869 86 86 LEU HB2 H 1.906 0.020 2 870 86 86 LEU HB3 H 1.531 0.020 2 871 86 86 LEU HG H 1.883 0.020 1 872 86 86 LEU HD1 H 1.049 0.020 1 873 86 86 LEU HD2 H 1.030 0.020 1 874 86 86 LEU CA C 57.177 0.3 1 875 86 86 LEU CB C 41.702 0.3 1 876 86 86 LEU CG C 26.628 0.3 1 877 86 86 LEU CD1 C 25.293 0.3 1 878 86 86 LEU CD2 C 23.054 0.3 1 879 86 86 LEU N N 119.289 0.3 1 880 87 87 VAL H H 7.680 0.020 1 881 87 87 VAL HA H 3.789 0.020 1 882 87 87 VAL HB H 2.100 0.020 1 883 87 87 VAL HG1 H 1.014 0.020 1 884 87 87 VAL HG2 H 0.894 0.020 1 885 87 87 VAL CA C 64.856 0.3 1 886 87 87 VAL CB C 31.934 0.3 1 887 87 87 VAL CG1 C 21.732 0.3 1 888 87 87 VAL CG2 C 20.925 0.3 1 889 87 87 VAL N N 118.882 0.3 1 890 88 88 ALA H H 7.972 0.020 1 891 88 88 ALA HA H 4.085 0.020 1 892 88 88 ALA HB H 1.344 0.020 1 893 88 88 ALA CA C 53.879 0.3 1 894 88 88 ALA CB C 18.287 0.3 1 895 88 88 ALA N N 123.754 0.3 1 896 89 89 GLN H H 7.946 0.020 1 897 89 89 GLN HA H 4.042 0.020 1 898 89 89 GLN HB2 H 2.054 0.020 2 899 89 89 GLN HB3 H 2.133 0.020 2 900 89 89 GLN HG2 H 2.072 0.020 1 901 89 89 GLN HG3 H 2.072 0.020 1 902 89 89 GLN HE21 H 7.068 0.020 1 903 89 89 GLN HE22 H 6.706 0.020 1 904 89 89 GLN CA C 56.515 0.3 1 905 89 89 GLN CB C 29.054 0.3 1 906 89 89 GLN CG C 33.376 0.3 1 907 89 89 GLN N N 116.479 0.3 1 908 89 89 GLN NE2 N 112.159 0.3 1 909 90 90 GLY H H 7.999 0.020 1 910 90 90 GLY HA2 H 3.883 0.020 1 911 90 90 GLY HA3 H 3.883 0.020 1 912 90 90 GLY CA C 45.563 0.3 1 913 90 90 GLY N N 107.603 0.3 1 914 91 91 ARG H H 7.837 0.020 1 915 91 91 ARG HA H 4.278 0.020 1 916 91 91 ARG HB2 H 1.834 0.020 1 917 91 91 ARG HB3 H 1.834 0.020 1 918 91 91 ARG HG2 H 1.606 0.020 2 919 91 91 ARG HG3 H 1.554 0.020 2 920 91 91 ARG HD2 H 3.132 0.020 1 921 91 91 ARG HD3 H 3.132 0.020 1 922 91 91 ARG CA C 55.967 0.3 1 923 91 91 ARG CB C 31.151 0.3 1 924 91 91 ARG CG C 26.883 0.3 1 925 91 91 ARG CD C 43.467 0.3 1 926 91 91 ARG N N 119.511 0.3 1 927 92 92 ARG H H 8.035 0.020 1 928 92 92 ARG HA H 4.229 0.020 1 929 92 92 ARG HB2 H 1.818 0.020 2 930 92 92 ARG HB3 H 1.747 0.020 2 931 92 92 ARG HG2 H 1.614 0.020 2 932 92 92 ARG HG3 H 1.553 0.020 2 933 92 92 ARG HD2 H 3.140 0.020 1 934 92 92 ARG HD3 H 3.140 0.020 1 935 92 92 ARG CA C 56.322 0.3 1 936 92 92 ARG CB C 30.481 0.3 1 937 92 92 ARG CG C 27.082 0.3 1 938 92 92 ARG CD C 43.206 0.3 1 939 92 92 ARG N N 120.571 0.3 1 940 93 93 LEU H H 8.136 0.020 1 941 93 93 LEU HA H 4.219 0.020 1 942 93 93 LEU HB2 H 1.606 0.020 1 943 93 93 LEU HB3 H 1.606 0.020 1 944 93 93 LEU HD1 H 0.853 0.020 1 945 93 93 LEU HD2 H 0.853 0.020 1 946 93 93 LEU CA C 56.360 0.3 1 947 93 93 LEU CB C 42.290 0.3 1 948 93 93 LEU CD2 C 24.818 0.3 1 949 93 93 LEU N N 122.014 0.3 1 950 94 94 GLU H H 8.212 0.020 1 951 94 94 GLU HA H 4.238 0.020 1 952 94 94 GLU HB2 H 2.003 0.020 2 953 94 94 GLU HB3 H 1.912 0.020 2 954 94 94 GLU HG2 H 2.224 0.020 2 955 94 94 GLU HG3 H 2.179 0.020 2 956 94 94 GLU CA C 56.275 0.3 1 957 94 94 GLU CB C 29.198 0.3 1 958 94 94 GLU CG C 36.071 0.3 1 959 94 94 GLU N N 120.835 0.3 1 960 95 95 LEU H H 8.055 0.020 1 961 95 95 LEU HA H 4.289 0.020 1 962 95 95 LEU HB2 H 1.607 0.020 2 963 95 95 LEU HB3 H 1.529 0.020 2 964 95 95 LEU HG H 1.821 0.020 1 965 95 95 LEU CA C 55.350 0.3 1 966 95 95 LEU CB C 42.072 0.3 1 967 95 95 LEU N N 122.207 0.3 1 968 96 96 VAL H H 7.862 0.020 1 969 96 96 VAL HA H 4.287 0.020 1 970 96 96 VAL HB H 2.025 0.020 1 971 96 96 VAL HG1 H 0.874 0.020 1 972 96 96 VAL HG2 H 0.874 0.020 1 973 96 96 VAL CA C 55.222 0.3 1 974 96 96 VAL CB C 32.434 0.3 1 975 96 96 VAL CG1 C 20.073 0.3 1 976 96 96 VAL N N 121.465 0.3 1 977 97 97 PRO HA H 4.350 0.020 1 978 97 97 PRO HB2 H 1.836 0.020 2 979 97 97 PRO HB3 H 2.230 0.020 2 980 97 97 PRO HG2 H 1.995 0.020 2 981 97 97 PRO HG3 H 1.912 0.020 2 982 97 97 PRO HD2 H 3.807 0.020 2 983 97 97 PRO HD3 H 3.620 0.020 2 984 97 97 PRO CA C 63.059 0.3 1 985 97 97 PRO CB C 31.840 0.3 1 986 97 97 PRO CG C 27.174 0.3 1 987 97 97 PRO CD C 50.905 0.3 1 988 98 98 ARG H H 8.432 0.020 1 989 98 98 ARG CA C 59.001 0.3 1 990 98 98 ARG CB C 33.200 0.3 1 991 98 98 ARG N N 121.912 0.3 1 992 99 99 GLY H H 8.430 0.020 1 993 99 99 GLY CA C 47.700 0.3 1 994 99 99 GLY N N 109.968 0.3 1 995 100 100 SER H H 8.115 0.020 1 996 100 100 SER CA C 60.831 0.3 1 997 100 100 SER CB C 66.378 0.3 1 998 100 100 SER N N 115.520 0.3 1 999 101 101 HIS H H 8.090 0.020 1 1000 101 101 HIS CA C 64.846 0.3 1 1001 101 101 HIS CB C 35.097 0.3 1 1002 101 101 HIS N N 121.084 0.3 1 1003 102 102 HIS H H 8.332 0.020 1 1004 102 102 HIS CA C 58.566 0.3 1 1005 102 102 HIS CB C 32.746 0.3 1 1006 102 102 HIS N N 123.773 0.3 1 1007 103 103 HIS H H 8.234 0.020 1 1008 103 103 HIS CA C 58.566 0.3 1 1009 103 103 HIS CB C 32.746 0.3 1 1010 103 103 HIS N N 120.819 0.3 1 1011 104 104 HIS H H 8.032 0.020 1 1012 104 104 HIS CA C 59.771 0.3 1 1013 104 104 HIS CB C 32.682 0.3 1 1014 104 104 HIS N N 125.271 0.3 1 stop_ save_