data_5758 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments for YqgF ; _BMRB_accession_number 5758 _BMRB_flat_file_name bmr5758.str _Entry_type original _Submission_date 2003-03-27 _Accession_date 2003-03-27 _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 Liu Dingjiang . . 2 Repaka Prasanti . . 3 Taremi Shane S. . 4 Wyss Daniel F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 624 "13C chemical shifts" 470 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-10-16 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5270 'backbone assignment of YqgF' stop_ _Original_release_date 2003-10-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the hypothetical protein YqgF from Escherichia coli reveals an RNAse H fold ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Dingjiang . . 2 Wang Yu-sen . . 3 Wyss Daniel F. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 389 _Page_last 392 _Year 2003 _Details . loop_ _Keyword YqgF 'structural genomics' 'NMR assignments' 'antibiotics resistance' anti-microbial stop_ save_ ################################## # Molecular system description # ################################## save_system_YqgF _Saveframe_category molecular_system _Mol_system_name YqgF _Abbreviation_common YqgF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YqgF $YqgF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YqgF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YqgF _Abbreviation_common YqgF _Molecular_mass . _Mol_thiol_state 'not present' _Details ; The construct used here including a N-terminal RGSMADIGS sequence which is not included in chemical shift data. ; ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; RGSMADIGSMSGTLLAFDFG TKSIGVAVGQRITGTARPLP AIKAQDGTPDWNIIERLLKE WQPDEIIVGLPLNMDGTEQP LTARARKFANRIHGRFGVEV KLHDERLSTVEARSGLFEQG GYRALNKGKVDSASAVIILE SYFEQGY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -9 ARG 2 -8 GLY 3 -7 SER 4 -6 MET 5 -5 ALA 6 -4 ASP 7 -3 ILE 8 -2 GLY 9 -1 SER 10 1 MET 11 2 SER 12 3 GLY 13 4 THR 14 5 LEU 15 6 LEU 16 7 ALA 17 8 PHE 18 9 ASP 19 10 PHE 20 11 GLY 21 12 THR 22 13 LYS 23 14 SER 24 15 ILE 25 16 GLY 26 17 VAL 27 18 ALA 28 19 VAL 29 20 GLY 30 21 GLN 31 22 ARG 32 23 ILE 33 24 THR 34 25 GLY 35 26 THR 36 27 ALA 37 28 ARG 38 29 PRO 39 30 LEU 40 31 PRO 41 32 ALA 42 33 ILE 43 34 LYS 44 35 ALA 45 36 GLN 46 37 ASP 47 38 GLY 48 39 THR 49 40 PRO 50 41 ASP 51 42 TRP 52 43 ASN 53 44 ILE 54 45 ILE 55 46 GLU 56 47 ARG 57 48 LEU 58 49 LEU 59 50 LYS 60 51 GLU 61 52 TRP 62 53 GLN 63 54 PRO 64 55 ASP 65 56 GLU 66 57 ILE 67 58 ILE 68 59 VAL 69 60 GLY 70 61 LEU 71 62 PRO 72 63 LEU 73 64 ASN 74 65 MET 75 66 ASP 76 67 GLY 77 68 THR 78 69 GLU 79 70 GLN 80 71 PRO 81 72 LEU 82 73 THR 83 74 ALA 84 75 ARG 85 76 ALA 86 77 ARG 87 78 LYS 88 79 PHE 89 80 ALA 90 81 ASN 91 82 ARG 92 83 ILE 93 84 HIS 94 85 GLY 95 86 ARG 96 87 PHE 97 88 GLY 98 89 VAL 99 90 GLU 100 91 VAL 101 92 LYS 102 93 LEU 103 94 HIS 104 95 ASP 105 96 GLU 106 97 ARG 107 98 LEU 108 99 SER 109 100 THR 110 101 VAL 111 102 GLU 112 103 ALA 113 104 ARG 114 105 SER 115 106 GLY 116 107 LEU 117 108 PHE 118 109 GLU 119 110 GLN 120 111 GLY 121 112 GLY 122 113 TYR 123 114 ARG 124 115 ALA 125 116 LEU 126 117 ASN 127 118 LYS 128 119 GLY 129 120 LYS 130 121 VAL 131 122 ASP 132 123 SER 133 124 ALA 134 125 SER 135 126 ALA 136 127 VAL 137 128 ILE 138 129 ILE 139 130 LEU 140 131 GLU 141 132 SER 142 133 TYR 143 134 PHE 144 135 GLU 145 136 GLN 146 137 GLY 147 138 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 5270 YqgF 100.00 147 100.00 100.00 8.07e-102 PDB 1NMN "Structure Of Yqgf From Escherichia Coli, A Hypothetical Protein" 93.88 138 100.00 100.00 3.72e-95 PDB 1NU0 "Structure Of The Double Mutant (L6m; F134m, Semet Form) Of Yqgf From Escherichia Coli, A Hypothetical Protein" 93.20 138 97.81 97.81 5.14e-91 PDB 1OVQ "Solution Structure Of The Hypothetical Protein Yqgf From Escherichia Coli" 93.20 138 100.00 100.00 5.23e-94 DBJ BAB37248 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 93.88 138 98.55 100.00 1.68e-94 DBJ BAE77012 "predicted Holliday junction resolvase [Escherichia coli str. K-12 substr. W3110]" 93.88 138 100.00 100.00 3.72e-95 DBJ BAG78741 "conserved hypothetical protein [Escherichia coli SE11]" 93.88 138 99.28 100.00 1.52e-94 DBJ BAI27233 "predicted Holliday junction resolvase [Escherichia coli O26:H11 str. 11368]" 93.88 138 99.28 100.00 9.11e-95 DBJ BAI32263 "predicted Holliday junction resolvase [Escherichia coli O103:H2 str. 12009]" 93.88 138 99.28 100.00 9.11e-95 EMBL CAP77386 "Holliday junction resolvase [Escherichia coli LF82]" 93.88 138 100.00 100.00 3.72e-95 EMBL CAQ33259 "predicted Holliday junction resolvase [Escherichia coli BL21(DE3)]" 93.88 138 99.28 99.28 4.25e-94 EMBL CAQ90381 "Holliday junction resolvase [Escherichia fergusonii ATCC 35469]" 93.88 138 99.28 100.00 9.11e-95 EMBL CAQ99897 "Holliday junction resolvase [Escherichia coli IAI1]" 93.88 138 99.28 100.00 9.11e-95 EMBL CAR04466 "Holliday junction resolvase [Escherichia coli S88]" 93.88 138 100.00 100.00 3.72e-95 GB AAA69116 "ORF_o180; was also ORF_o62p before splice [Escherichia coli str. K-12 substr. MG1655]" 93.88 180 100.00 100.00 1.99e-94 GB AAC75986 "putative Holliday junction resolvase [Escherichia coli str. K-12 substr. MG1655]" 93.88 138 100.00 100.00 3.72e-95 GB AAG58080 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 93.88 138 98.55 100.00 1.68e-94 GB AAN44421 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 93.88 138 99.28 100.00 9.11e-95 GB AAN81983 "Hypothetical protein yqgF [Escherichia coli CFT073]" 93.88 138 100.00 100.00 3.72e-95 REF NP_289521 "Holliday junction resolvase-like protein [Escherichia coli O157:H7 str. EDL933]" 93.88 138 98.55 100.00 1.68e-94 REF NP_311852 "Holliday junction resolvase-like protein [Escherichia coli O157:H7 str. Sakai]" 93.88 138 98.55 100.00 1.68e-94 REF NP_417424 "putative Holliday junction resolvase [Escherichia coli str. K-12 substr. MG1655]" 93.88 138 100.00 100.00 3.72e-95 REF NP_708714 "Holliday junction resolvase-like protein [Shigella flexneri 2a str. 301]" 93.88 138 99.28 100.00 9.11e-95 REF NP_755410 "Holliday junction resolvase-like protein [Escherichia coli CFT073]" 93.88 138 100.00 100.00 3.72e-95 SP A1AFD5 "RecName: Full=Putative Holliday junction resolvase [Escherichia coli APEC O1]" 93.88 138 100.00 100.00 3.72e-95 SP A7ZR72 "RecName: Full=Putative Holliday junction resolvase [Escherichia coli E24377A]" 93.88 138 99.28 100.00 9.11e-95 SP A8A489 "RecName: Full=Putative Holliday junction resolvase [Escherichia coli HS]" 93.88 138 100.00 100.00 3.72e-95 SP B1IT58 "RecName: Full=Putative Holliday junction resolvase [Escherichia coli ATCC 8739]" 93.88 138 100.00 100.00 3.72e-95 SP B1LDF8 "RecName: Full=Putative Holliday junction resolvase [Escherichia coli SMS-3-5]" 93.88 138 99.28 100.00 9.11e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YqgF 'E. coli' 562 Eubacteria . Escherichia coli 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 $YqgF 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $YqgF . mM 0.3 1.0 [U-15N] KiPO4 75 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $YqgF . mM 0.5 1.0 '[U-13C; U-15N]' KiPO4 75 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version 2000 loop_ _Task process stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HN(CO)_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO) _Sample_label . save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label . save_ save_13C/15N_edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/15N edited NOESY' _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO) _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/15N edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 n/a temperature 298 0.5 K 'ionic strength' 0.45 0.05 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_cs_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name YqgF _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 . 10 MET N N 121.787 0.20 1 2 . 10 MET H H 8.245 0.02 1 3 . 10 MET CA C 55.290 0.20 1 4 . 10 MET HA H 4.180 0.02 1 5 . 10 MET CB C 32.960 0.20 1 6 . 10 MET HB2 H 1.960 0.02 1 7 . 10 MET HB3 H 1.960 0.02 1 8 . 10 MET CE C 17.220 0.20 1 9 . 10 MET HE H 2.070 0.02 1 10 . 10 MET C C 176.356 0.20 1 11 . 11 SER N N 119.324 0.20 1 12 . 11 SER H H 9.463 0.02 1 13 . 11 SER CA C 59.001 0.20 1 14 . 11 SER HA H 4.529 0.02 1 15 . 11 SER CB C 64.500 0.20 1 16 . 11 SER HB2 H 4.020 0.02 2 17 . 11 SER HB3 H 3.990 0.02 2 18 . 11 SER C C 176.339 0.20 1 19 . 12 GLY N N 113.655 0.20 1 20 . 12 GLY H H 9.596 0.02 1 21 . 12 GLY CA C 46.076 0.20 1 22 . 12 GLY HA2 H 3.918 0.02 2 23 . 12 GLY HA3 H 4.301 0.02 2 24 . 12 GLY C C 174.229 0.20 1 25 . 13 THR N N 119.102 0.20 1 26 . 13 THR H H 8.591 0.02 1 27 . 13 THR CA C 62.020 0.20 1 28 . 13 THR HA H 5.024 0.02 1 29 . 13 THR CB C 69.975 0.20 1 30 . 13 THR HB H 4.158 0.02 1 31 . 13 THR CG2 C 23.270 0.20 1 32 . 13 THR HG2 H 1.285 0.02 1 33 . 13 THR C C 172.964 0.20 1 34 . 14 LEU N N 126.143 0.20 1 35 . 14 LEU H H 8.997 0.02 1 36 . 14 LEU CA C 54.753 0.20 1 37 . 14 LEU HA H 5.069 0.02 1 38 . 14 LEU CB C 46.179 0.20 1 39 . 14 LEU HB2 H 1.320 0.02 1 40 . 14 LEU HB3 H 1.320 0.02 1 41 . 14 LEU CG C 30.100 0.20 1 42 . 14 LEU HG H 1.830 0.02 1 43 . 14 LEU CD1 C 25.000 0.20 1 44 . 14 LEU HD1 H 0.990 0.02 2 45 . 14 LEU CD2 C 26.800 0.20 1 46 . 14 LEU HD2 H 0.900 0.02 2 47 . 14 LEU C C 174.826 0.20 1 48 . 15 LEU N N 118.018 0.20 1 49 . 15 LEU H H 7.010 0.02 1 50 . 15 LEU CA C 52.608 0.20 1 51 . 15 LEU HA H 5.102 0.02 1 52 . 15 LEU CB C 47.021 0.20 1 53 . 15 LEU HB2 H 1.138 0.02 1 54 . 15 LEU HB3 H 1.138 0.02 1 55 . 15 LEU CG C 27.500 0.20 1 56 . 15 LEU HG H 1.160 0.02 1 57 . 15 LEU CD1 C 26.071 0.20 2 58 . 15 LEU HD1 H 0.600 0.02 1 59 . 15 LEU CD2 C 24.776 0.20 2 60 . 15 LEU HD2 H 0.399 0.02 1 61 . 15 LEU C C 174.373 0.20 1 62 . 16 ALA N N 122.439 0.20 1 63 . 16 ALA H H 8.661 0.02 1 64 . 16 ALA CA C 48.841 0.20 1 65 . 16 ALA HA H 5.710 0.02 1 66 . 16 ALA CB C 24.655 0.20 1 67 . 16 ALA HB H 0.921 0.02 1 68 . 16 ALA C C 175.038 0.20 1 69 . 17 PHE N N 115.160 0.20 1 70 . 17 PHE H H 8.826 0.02 1 71 . 17 PHE CA C 54.925 0.20 1 72 . 17 PHE HA H 5.795 0.02 1 73 . 17 PHE CB C 43.663 0.20 1 74 . 17 PHE HB2 H 3.020 0.02 2 75 . 17 PHE HB3 H 2.870 0.02 2 76 . 17 PHE CD1 C 131.200 0.20 1 77 . 17 PHE HD1 H 7.190 0.02 1 78 . 17 PHE HE1 H 6.990 0.02 1 79 . 17 PHE CZ C 127.470 0.20 1 80 . 17 PHE HZ H 6.900 0.02 1 81 . 17 PHE HE2 H 6.990 0.02 1 82 . 17 PHE CD2 C 131.200 0.20 1 83 . 17 PHE HD2 H 7.190 0.02 1 84 . 17 PHE C C 174.119 0.20 1 85 . 18 ASP N N 121.026 0.20 1 86 . 18 ASP H H 8.562 0.02 1 87 . 18 ASP CA C 51.400 0.20 1 88 . 18 ASP HA H 5.114 0.02 1 89 . 18 ASP CB C 43.485 0.20 1 90 . 18 ASP HB2 H 1.969 0.02 2 91 . 18 ASP HB3 H 2.405 0.02 2 92 . 18 ASP C C 175.141 0.20 1 93 . 19 PHE N N 126.576 0.20 1 94 . 19 PHE H H 9.860 0.02 1 95 . 19 PHE CA C 60.888 0.20 1 96 . 19 PHE HA H 3.692 0.02 1 97 . 19 PHE CB C 39.472 0.20 1 98 . 19 PHE HB2 H 2.688 0.02 2 99 . 19 PHE HB3 H 3.034 0.02 2 100 . 19 PHE CD1 C 129.910 0.20 1 101 . 19 PHE HD1 H 6.380 0.02 1 102 . 19 PHE HE1 H 6.990 0.02 1 103 . 19 PHE HZ H 6.950 0.02 1 104 . 19 PHE HE2 H 6.990 0.02 1 105 . 19 PHE CD2 C 129.910 0.20 1 106 . 19 PHE HD2 H 6.380 0.02 1 107 . 19 PHE C C 173.425 0.20 1 108 . 20 GLY N N 114.556 0.20 1 109 . 20 GLY H H 5.987 0.02 1 110 . 20 GLY CA C 43.703 0.20 1 111 . 20 GLY HA2 H 3.680 0.02 2 112 . 20 GLY HA3 H 3.850 0.02 2 113 . 20 GLY C C 170.742 0.20 1 114 . 21 THR N N 106.402 0.20 1 115 . 21 THR H H 7.891 0.02 1 116 . 21 THR CA C 63.784 0.20 1 117 . 21 THR HA H 3.458 0.02 1 118 . 21 THR CB C 68.147 0.20 1 119 . 21 THR HB H 4.083 0.02 1 120 . 21 THR CG2 C 22.880 0.20 1 121 . 21 THR HG2 H 1.146 0.02 1 122 . 22 LYS CA C 55.977 0.20 1 123 . 22 LYS CB C 34.226 0.20 1 124 . 22 LYS C C 176.987 0.20 1 125 . 23 SER N N 114.295 0.20 1 126 . 23 SER H H 7.054 0.02 1 127 . 23 SER CA C 56.458 0.20 1 128 . 23 SER HA H 4.670 0.02 1 129 . 23 SER CB C 63.950 0.20 1 130 . 23 SER HB2 H 3.378 0.02 2 131 . 23 SER HB3 H 3.488 0.02 2 132 . 23 SER C C 171.862 0.20 1 133 . 24 ILE N N 125.484 0.20 1 134 . 24 ILE H H 9.072 0.02 1 135 . 24 ILE CA C 58.881 0.20 1 136 . 24 ILE HA H 4.494 0.02 1 137 . 24 ILE CB C 40.274 0.20 1 138 . 24 ILE HB H 1.503 0.02 1 139 . 24 ILE CG1 C 28.230 0.20 2 140 . 24 ILE HG12 H 0.330 0.02 9 141 . 24 ILE HG13 H 1.040 0.02 9 142 . 24 ILE CD1 C 13.962 0.20 1 143 . 24 ILE HD1 H 0.162 0.02 1 144 . 24 ILE CG2 C 18.000 0.20 2 145 . 24 ILE HG2 H 0.742 0.02 4 146 . 24 ILE C C 176.087 0.20 1 147 . 25 GLY N N 114.583 0.20 1 148 . 25 GLY H H 8.831 0.02 1 149 . 25 GLY CA C 45.385 0.20 1 150 . 25 GLY HA2 H 3.930 0.02 2 151 . 25 GLY HA3 H 4.220 0.02 2 152 . 25 GLY C C 173.227 0.20 1 153 . 26 VAL N N 120.752 0.20 1 154 . 26 VAL H H 8.760 0.02 1 155 . 26 VAL CA C 60.592 0.20 1 156 . 26 VAL HA H 5.014 0.02 1 157 . 26 VAL CB C 34.710 0.20 1 158 . 26 VAL HB H 1.630 0.02 1 159 . 26 VAL CG2 C 21.831 0.20 2 160 . 26 VAL HG2 H 0.920 0.02 1 161 . 26 VAL CG1 C 22.496 0.20 2 162 . 26 VAL HG1 H 0.652 0.02 1 163 . 26 VAL C C 173.356 0.20 1 164 . 27 ALA N N 126.426 0.20 1 165 . 27 ALA H H 8.521 0.02 1 166 . 27 ALA CA C 49.779 0.20 1 167 . 27 ALA HA H 4.932 0.02 1 168 . 27 ALA CB C 23.590 0.20 1 169 . 27 ALA HB H 0.890 0.02 1 170 . 27 ALA C C 173.946 0.20 1 171 . 28 VAL N N 116.347 0.20 1 172 . 28 VAL H H 8.420 0.02 1 173 . 28 VAL CA C 57.728 0.20 1 174 . 28 VAL HA H 5.005 0.02 1 175 . 28 VAL CB C 35.017 0.20 1 176 . 28 VAL HB H 0.955 0.02 1 177 . 28 VAL CG2 C 20.320 0.20 2 178 . 28 VAL HG2 H 0.021 0.02 1 179 . 28 VAL CG1 C 18.615 0.20 2 180 . 28 VAL HG1 H 0.044 0.02 1 181 . 28 VAL C C 173.665 0.20 1 182 . 29 GLY N N 112.296 0.20 1 183 . 29 GLY H H 8.502 0.02 1 184 . 29 GLY CA C 45.435 0.20 1 185 . 29 GLY HA2 H 3.880 0.02 2 186 . 29 GLY HA3 H 4.940 0.02 2 187 . 29 GLY C C 171.396 0.20 1 188 . 30 GLN N N 118.136 0.20 1 189 . 30 GLN H H 8.027 0.02 1 190 . 30 GLN CA C 53.954 0.20 1 191 . 30 GLN HA H 5.254 0.02 1 192 . 30 GLN CB C 31.400 0.20 1 193 . 30 GLN HB2 H 2.140 0.02 2 194 . 30 GLN HB3 H 2.060 0.02 2 195 . 30 GLN CG C 34.390 0.20 1 196 . 30 GLN HG2 H 2.364 0.02 2 197 . 30 GLN HG3 H 2.445 0.02 2 198 . 30 GLN NE2 N 111.580 0.20 1 199 . 30 GLN HE21 H 7.490 0.02 2 200 . 30 GLN HE22 H 6.790 0.02 2 201 . 30 GLN C C 175.508 0.20 1 202 . 31 ARG N N 124.839 0.20 1 203 . 31 ARG H H 8.608 0.02 1 204 . 31 ARG CA C 59.107 0.20 1 205 . 31 ARG HA H 3.040 0.02 1 206 . 31 ARG CB C 30.220 0.20 1 207 . 31 ARG HB2 H 1.670 0.02 1 208 . 31 ARG HB3 H 1.670 0.02 1 209 . 31 ARG CG C 27.800 0.20 1 210 . 31 ARG HG2 H 1.480 0.02 1 211 . 31 ARG HG3 H 1.480 0.02 1 212 . 31 ARG CD C 43.300 0.20 1 213 . 31 ARG HD2 H 3.130 0.02 1 214 . 31 ARG HD3 H 3.130 0.02 1 215 . 31 ARG C C 178.210 0.20 1 216 . 32 ILE N N 115.164 0.20 1 217 . 32 ILE H H 8.477 0.02 1 218 . 32 ILE CA C 63.590 0.20 1 219 . 32 ILE HA H 3.946 0.02 1 220 . 32 ILE CB C 37.560 0.20 1 221 . 32 ILE HB H 1.842 0.02 1 222 . 32 ILE CG1 C 28.790 0.20 2 223 . 32 ILE HG12 H 1.226 0.02 9 224 . 32 ILE HG13 H 1.428 0.02 9 225 . 32 ILE CD1 C 13.620 0.20 1 226 . 32 ILE HD1 H 0.867 0.02 1 227 . 32 ILE CG2 C 17.600 0.20 2 228 . 32 ILE HG2 H 0.908 0.02 4 229 . 32 ILE C C 176.433 0.20 1 230 . 33 THR N N 107.560 0.20 1 231 . 33 THR H H 6.781 0.02 1 232 . 33 THR CA C 61.460 0.20 1 233 . 33 THR HA H 4.360 0.02 1 234 . 33 THR CB C 69.760 0.20 1 235 . 33 THR HB H 4.250 0.02 1 236 . 33 THR CG2 C 22.540 0.20 1 237 . 33 THR HG2 H 1.180 0.02 1 238 . 33 THR C C 176.231 0.20 1 239 . 34 GLY N N 111.273 0.20 1 240 . 34 GLY H H 7.832 0.02 1 241 . 34 GLY CA C 46.275 0.20 1 242 . 34 GLY HA2 H 2.790 0.02 2 243 . 34 GLY HA3 H 3.750 0.02 2 244 . 34 GLY C C 173.613 0.20 1 245 . 35 THR N N 110.263 0.20 1 246 . 35 THR H H 7.344 0.02 1 247 . 35 THR CA C 59.803 0.20 1 248 . 35 THR HA H 4.688 0.02 1 249 . 35 THR CB C 72.090 0.20 1 250 . 35 THR HB H 4.100 0.02 1 251 . 35 THR CG2 C 21.620 0.20 1 252 . 35 THR HG2 H 1.105 0.02 1 253 . 35 THR C C 172.970 0.20 1 254 . 36 ALA N N 125.293 0.20 1 255 . 36 ALA H H 9.408 0.02 1 256 . 36 ALA CA C 50.166 0.20 1 257 . 36 ALA HA H 5.315 0.02 1 258 . 36 ALA CB C 24.850 0.20 1 259 . 36 ALA HB H 1.245 0.02 1 260 . 36 ALA C C 175.296 0.20 1 261 . 37 ARG N N 118.755 0.20 1 262 . 37 ARG H H 9.052 0.02 1 263 . 37 ARG CA C 52.344 0.20 1 264 . 37 ARG HA H 4.888 0.02 1 265 . 37 ARG CB C 31.549 0.20 1 266 . 37 ARG HB2 H 1.687 0.02 1 267 . 37 ARG HB3 H 1.687 0.02 1 268 . 37 ARG CG C 26.440 0.20 1 269 . 37 ARG HG2 H 1.560 0.02 2 270 . 37 ARG HG3 H 1.440 0.02 2 271 . 37 ARG CD C 43.540 0.20 1 272 . 37 ARG HD2 H 3.084 0.02 1 273 . 37 ARG HD3 H 3.084 0.02 1 274 . 38 PRO CA C 62.700 0.20 1 275 . 38 PRO HA H 4.520 0.02 1 276 . 38 PRO CB C 32.830 0.20 1 277 . 38 PRO HB2 H 1.820 0.02 2 278 . 38 PRO HB3 H 2.180 0.02 2 279 . 38 PRO CG C 27.300 0.20 1 280 . 38 PRO HG2 H 1.890 0.02 2 281 . 38 PRO HG3 H 2.110 0.02 2 282 . 38 PRO CD C 50.070 0.20 1 283 . 38 PRO HD2 H 3.630 0.02 2 284 . 38 PRO HD3 H 3.780 0.02 2 285 . 38 PRO C C 175.873 0.20 1 286 . 39 LEU N N 122.843 0.20 1 287 . 39 LEU H H 8.315 0.02 1 288 . 39 LEU CA C 51.927 0.20 1 289 . 39 LEU HA H 4.800 0.02 1 290 . 39 LEU CB C 41.337 0.20 1 291 . 39 LEU HB2 H 1.170 0.02 1 292 . 39 LEU HB3 H 1.170 0.02 1 293 . 39 LEU HG H 1.280 0.02 1 294 . 39 LEU CD1 C 25.861 0.20 2 295 . 39 LEU HD1 H 0.427 0.02 1 296 . 39 LEU CD2 C 22.240 0.20 2 297 . 39 LEU HD2 H 0.900 0.02 1 298 . 40 PRO CA C 64.228 0.20 1 299 . 40 PRO CB C 31.620 0.20 1 300 . 40 PRO C C 175.344 0.20 1 301 . 41 ALA N N 124.233 0.20 1 302 . 41 ALA H H 8.115 0.02 1 303 . 41 ALA CA C 52.040 0.20 1 304 . 41 ALA HA H 4.388 0.02 1 305 . 41 ALA CB C 19.001 0.20 1 306 . 41 ALA HB H 1.180 0.02 1 307 . 41 ALA C C 177.931 0.20 1 308 . 42 ILE N N 121.003 0.20 1 309 . 42 ILE H H 8.885 0.02 1 310 . 42 ILE CA C 60.042 0.20 1 311 . 42 ILE HA H 4.181 0.02 1 312 . 42 ILE CB C 40.459 0.20 1 313 . 42 ILE HB H 1.660 0.02 1 314 . 42 ILE CD1 C 14.930 0.20 1 315 . 42 ILE HD1 H 0.740 0.02 1 316 . 42 ILE CG2 C 17.600 0.20 2 317 . 42 ILE HG2 H 0.890 0.02 4 318 . 42 ILE C C 175.564 0.20 1 319 . 43 LYS N N 127.052 0.20 1 320 . 43 LYS H H 8.583 0.02 1 321 . 43 LYS CA C 57.281 0.20 1 322 . 43 LYS HA H 4.067 0.02 1 323 . 43 LYS CB C 32.533 0.20 1 324 . 43 LYS HB2 H 1.700 0.02 1 325 . 43 LYS HB3 H 1.700 0.02 1 326 . 43 LYS HG2 H 1.400 0.02 1 327 . 43 LYS HG3 H 1.400 0.02 1 328 . 43 LYS CD C 25.000 0.20 1 329 . 43 LYS HD2 H 1.540 0.02 1 330 . 43 LYS HD3 H 1.540 0.02 1 331 . 43 LYS CE C 41.500 0.20 1 332 . 43 LYS HE2 H 2.940 0.02 1 333 . 43 LYS HE3 H 2.940 0.02 1 334 . 43 LYS C C 175.080 0.20 1 335 . 44 ALA N N 124.091 0.20 1 336 . 44 ALA H H 7.509 0.02 1 337 . 44 ALA CA C 49.829 0.20 1 338 . 44 ALA HA H 4.482 0.02 1 339 . 44 ALA CB C 20.846 0.20 1 340 . 44 ALA HB H 0.496 0.02 1 341 . 44 ALA C C 174.896 0.20 1 342 . 45 GLN N N 118.816 0.20 1 343 . 45 GLN H H 7.940 0.02 1 344 . 45 GLN CA C 54.704 0.20 1 345 . 45 GLN HA H 4.490 0.02 1 346 . 45 GLN CB C 29.400 0.20 1 347 . 45 GLN HB2 H 1.950 0.02 2 348 . 45 GLN HB3 H 2.000 0.02 2 349 . 45 GLN CG C 33.290 0.20 1 350 . 45 GLN HG2 H 2.250 0.02 1 351 . 45 GLN HG3 H 2.250 0.02 1 352 . 45 GLN NE2 N 112.200 0.20 1 353 . 45 GLN HE21 H 7.550 0.02 2 354 . 45 GLN HE22 H 6.790 0.02 2 355 . 46 ASP CA C 55.380 0.20 1 356 . 46 ASP CB C 39.879 0.20 1 357 . 46 ASP C C 176.752 0.20 1 358 . 47 GLY N N 106.356 0.20 1 359 . 47 GLY H H 8.840 0.02 1 360 . 47 GLY CA C 45.135 0.20 1 361 . 47 GLY HA2 H 3.450 0.02 2 362 . 47 GLY HA3 H 4.240 0.02 2 363 . 47 GLY C C 173.027 0.20 1 364 . 48 THR N N 117.350 0.20 1 365 . 48 THR H H 7.808 0.02 1 366 . 48 THR CA C 59.467 0.20 1 367 . 48 THR HA H 4.690 0.02 1 368 . 48 THR CB C 69.510 0.20 1 369 . 48 THR HB H 4.280 0.02 1 370 . 48 THR CG2 C 21.826 0.20 1 371 . 48 THR HG2 H 1.400 0.02 1 372 . 49 PRO CA C 61.059 0.20 1 373 . 49 PRO HA H 4.710 0.02 1 374 . 49 PRO CB C 32.407 0.20 1 375 . 49 PRO HB2 H 1.460 0.02 2 376 . 49 PRO HB3 H 1.250 0.02 2 377 . 49 PRO CD C 50.460 0.20 1 378 . 49 PRO HD2 H 3.160 0.02 2 379 . 49 PRO HD3 H 3.550 0.02 2 380 . 49 PRO C C 173.772 0.20 1 381 . 50 ASP N N 115.770 0.20 1 382 . 50 ASP H H 7.448 0.02 1 383 . 50 ASP CA C 53.257 0.20 1 384 . 50 ASP HA H 4.566 0.02 1 385 . 50 ASP CB C 39.584 0.20 1 386 . 50 ASP HB2 H 2.593 0.02 2 387 . 50 ASP HB3 H 2.900 0.02 2 388 . 50 ASP C C 177.556 0.20 1 389 . 51 TRP N N 128.346 0.20 1 390 . 51 TRP H H 8.049 0.02 1 391 . 51 TRP CA C 59.873 0.20 1 392 . 51 TRP HA H 4.360 0.02 1 393 . 51 TRP CB C 29.396 0.20 1 394 . 51 TRP HB2 H 3.160 0.02 2 395 . 51 TRP HB3 H 3.520 0.02 2 396 . 51 TRP HD1 H 7.420 0.02 1 397 . 51 TRP NE1 N 129.600 0.20 1 398 . 51 TRP HE1 H 10.308 0.02 2 399 . 51 TRP HZ2 H 7.580 0.02 2 400 . 51 TRP HH2 H 6.810 0.02 1 401 . 51 TRP HZ3 H 7.020 0.02 2 402 . 51 TRP HE3 H 7.310 0.02 2 403 . 51 TRP C C 178.209 0.20 1 404 . 52 ASN N N 117.372 0.20 1 405 . 52 ASN H H 8.718 0.02 1 406 . 52 ASN CA C 56.498 0.20 1 407 . 52 ASN HA H 4.640 0.02 1 408 . 52 ASN CB C 37.826 0.20 1 409 . 52 ASN HB2 H 3.128 0.02 2 410 . 52 ASN HB3 H 2.796 0.02 2 411 . 52 ASN ND2 N 115.241 0.20 1 412 . 52 ASN HD21 H 7.080 0.02 2 413 . 52 ASN HD22 H 8.100 0.02 2 414 . 52 ASN C C 178.458 0.20 1 415 . 53 ILE N N 120.929 0.20 1 416 . 53 ILE H H 7.642 0.02 1 417 . 53 ILE CA C 64.169 0.20 1 418 . 53 ILE HA H 3.740 0.02 1 419 . 53 ILE CB C 37.238 0.20 1 420 . 53 ILE HB H 2.065 0.02 1 421 . 53 ILE CG1 C 28.900 0.20 2 422 . 53 ILE HG12 H 1.640 0.02 9 423 . 53 ILE HG13 H 1.210 0.02 9 424 . 53 ILE CD1 C 12.689 0.20 1 425 . 53 ILE HD1 H 0.986 0.02 1 426 . 53 ILE CG2 C 17.291 0.20 2 427 . 53 ILE HG2 H 0.990 0.02 4 428 . 53 ILE C C 178.374 0.20 1 429 . 54 ILE N N 118.784 0.20 1 430 . 54 ILE H H 6.969 0.02 1 431 . 54 ILE CA C 65.240 0.20 1 432 . 54 ILE HA H 3.685 0.02 1 433 . 54 ILE CB C 36.790 0.20 1 434 . 54 ILE HB H 2.280 0.02 1 435 . 54 ILE CG1 C 29.200 0.20 2 436 . 54 ILE HG12 H 1.590 0.02 9 437 . 54 ILE HG13 H 1.137 0.02 9 438 . 54 ILE CD1 C 12.190 0.20 1 439 . 54 ILE HD1 H 0.565 0.02 1 440 . 54 ILE CG2 C 17.730 0.20 2 441 . 54 ILE HG2 H 0.822 0.02 4 442 . 54 ILE C C 176.669 0.20 1 443 . 55 GLU N N 119.757 0.20 1 444 . 55 GLU H H 8.468 0.02 1 445 . 55 GLU CA C 60.052 0.20 1 446 . 55 GLU HA H 3.410 0.02 1 447 . 55 GLU CB C 29.574 0.20 1 448 . 55 GLU HB2 H 2.310 0.02 2 449 . 55 GLU HB3 H 2.410 0.02 2 450 . 55 GLU CG C 36.600 0.20 1 451 . 55 GLU HG2 H 2.230 0.02 1 452 . 55 GLU HG3 H 2.230 0.02 1 453 . 55 GLU C C 178.323 0.20 1 454 . 56 ARG N N 118.007 0.20 1 455 . 56 ARG H H 7.678 0.02 1 456 . 56 ARG CA C 59.604 0.20 1 457 . 56 ARG HA H 3.997 0.02 1 458 . 56 ARG CB C 29.613 0.20 1 459 . 56 ARG HB2 H 1.980 0.02 1 460 . 56 ARG HB3 H 1.980 0.02 1 461 . 56 ARG CG C 27.680 0.20 1 462 . 56 ARG HG2 H 1.640 0.02 1 463 . 56 ARG HG3 H 1.640 0.02 1 464 . 56 ARG CD C 43.350 0.20 1 465 . 56 ARG HD2 H 3.189 0.02 1 466 . 56 ARG HD3 H 3.189 0.02 1 467 . 56 ARG C C 179.047 0.20 1 468 . 57 LEU N N 120.830 0.20 1 469 . 57 LEU H H 8.101 0.02 1 470 . 57 LEU CA C 58.170 0.20 1 471 . 57 LEU HA H 4.380 0.02 1 472 . 57 LEU CB C 42.872 0.20 1 473 . 57 LEU HB2 H 1.470 0.02 2 474 . 57 LEU HB3 H 2.250 0.02 2 475 . 57 LEU CG C 27.000 0.20 1 476 . 57 LEU HG H 1.980 0.02 1 477 . 57 LEU CD1 C 26.759 0.20 2 478 . 57 LEU HD1 H 1.075 0.02 1 479 . 57 LEU CD2 C 24.494 0.20 2 480 . 57 LEU HD2 H 1.103 0.02 1 481 . 57 LEU C C 179.372 0.20 1 482 . 58 LEU N N 118.911 0.20 1 483 . 58 LEU H H 8.109 0.02 1 484 . 58 LEU CA C 58.600 0.20 1 485 . 58 LEU HA H 3.760 0.02 1 486 . 58 LEU CB C 39.160 0.20 1 487 . 58 LEU HB2 H 1.640 0.02 2 488 . 58 LEU HB3 H 1.906 0.02 2 489 . 58 LEU CG C 28.400 0.20 1 490 . 58 LEU HG H 1.600 0.02 1 491 . 58 LEU CD1 C 24.644 0.20 1 492 . 58 LEU HD1 H 0.400 0.02 2 493 . 58 LEU CD2 C 24.140 0.20 1 494 . 58 LEU HD2 H 0.573 0.02 2 495 . 58 LEU C C 180.642 0.20 1 496 . 59 LYS N N 120.178 0.20 1 497 . 59 LYS H H 8.001 0.02 1 498 . 59 LYS CA C 58.980 0.20 1 499 . 59 LYS HA H 4.100 0.02 1 500 . 59 LYS CB C 32.660 0.20 1 501 . 59 LYS HB2 H 1.880 0.02 1 502 . 59 LYS HB3 H 1.880 0.02 1 503 . 59 LYS CG C 28.700 0.20 1 504 . 59 LYS HG2 H 1.630 0.02 1 505 . 59 LYS HG3 H 1.630 0.02 1 506 . 59 LYS CD C 25.500 0.20 1 507 . 59 LYS HD2 H 1.420 0.02 2 508 . 59 LYS HD3 H 1.560 0.02 2 509 . 59 LYS CE C 42.620 0.20 1 510 . 59 LYS HE2 H 2.880 0.02 1 511 . 59 LYS HE3 H 2.880 0.02 1 512 . 59 LYS C C 178.345 0.20 1 513 . 60 GLU N N 118.289 0.20 1 514 . 60 GLU H H 8.159 0.02 1 515 . 60 GLU CA C 58.959 0.20 1 516 . 60 GLU HA H 3.821 0.02 1 517 . 60 GLU CB C 30.267 0.20 1 518 . 60 GLU HB2 H 1.530 0.02 2 519 . 60 GLU HB3 H 1.870 0.02 2 520 . 60 GLU CG C 35.530 0.20 1 521 . 60 GLU HG2 H 1.280 0.02 2 522 . 60 GLU HG3 H 1.750 0.02 2 523 . 60 GLU C C 178.345 0.20 1 524 . 61 TRP N N 115.163 0.20 1 525 . 61 TRP H H 7.937 0.02 1 526 . 61 TRP CA C 57.900 0.20 1 527 . 61 TRP HA H 4.560 0.02 1 528 . 61 TRP CB C 30.506 0.20 1 529 . 61 TRP HB2 H 2.870 0.02 2 530 . 61 TRP HB3 H 2.960 0.02 2 531 . 61 TRP HD1 H 7.390 0.02 1 532 . 61 TRP NE1 N 128.800 0.20 1 533 . 61 TRP HE1 H 10.027 0.02 2 534 . 61 TRP HZ2 H 7.370 0.02 2 535 . 61 TRP HH2 H 7.060 0.02 1 536 . 61 TRP HZ3 H 6.980 0.02 2 537 . 61 TRP HE3 H 7.600 0.02 2 538 . 61 TRP C C 175.410 0.20 1 539 . 62 GLN N N 113.761 0.20 1 540 . 62 GLN H H 8.000 0.02 1 541 . 62 GLN CA C 55.429 0.20 1 542 . 62 GLN HA H 4.121 0.02 1 543 . 62 GLN CB C 27.824 0.20 1 544 . 62 GLN HB2 H 2.050 0.02 2 545 . 62 GLN HB3 H 2.030 0.02 2 546 . 62 GLN CG C 36.280 0.20 1 547 . 62 GLN HG2 H 2.270 0.02 1 548 . 62 GLN HG3 H 2.270 0.02 1 549 . 63 PRO CA C 62.414 0.20 1 550 . 63 PRO HA H 4.430 0.02 1 551 . 63 PRO CB C 32.795 0.20 1 552 . 63 PRO HD2 H 3.800 0.02 2 553 . 63 PRO C C 176.978 0.20 1 554 . 64 ASP N N 120.232 0.20 1 555 . 64 ASP H H 9.149 0.02 1 556 . 64 ASP CA C 56.448 0.20 1 557 . 64 ASP HA H 4.562 0.02 1 558 . 64 ASP CB C 41.935 0.20 1 559 . 64 ASP HB2 H 2.520 0.02 2 560 . 64 ASP HB3 H 2.880 0.02 2 561 . 64 ASP C C 176.774 0.20 1 562 . 65 GLU N N 111.978 0.20 1 563 . 65 GLU H H 7.302 0.02 1 564 . 65 GLU CA C 54.352 0.20 1 565 . 65 GLU HA H 4.667 0.02 1 566 . 65 GLU CB C 33.791 0.20 1 567 . 65 GLU HB2 H 1.719 0.02 2 568 . 65 GLU HB3 H 1.940 0.02 2 569 . 65 GLU CG C 35.900 0.20 1 570 . 65 GLU HG2 H 2.083 0.02 2 571 . 65 GLU HG3 H 1.930 0.02 2 572 . 65 GLU C C 173.620 0.20 1 573 . 66 ILE N N 120.549 0.20 1 574 . 66 ILE H H 8.490 0.02 1 575 . 66 ILE CA C 58.590 0.20 1 576 . 66 ILE HA H 4.926 0.02 1 577 . 66 ILE CB C 40.092 0.20 1 578 . 66 ILE HB H 1.820 0.02 1 579 . 66 ILE CG1 C 28.600 0.20 2 580 . 66 ILE HG12 H 1.430 0.02 9 581 . 66 ILE HG13 H 1.030 0.02 9 582 . 66 ILE CD1 C 14.670 0.20 1 583 . 66 ILE HD1 H 0.785 0.02 1 584 . 66 ILE CG2 C 19.020 0.20 2 585 . 66 ILE HG2 H 0.885 0.02 4 586 . 66 ILE C C 173.315 0.20 1 587 . 67 ILE N N 127.044 0.20 1 588 . 67 ILE H H 8.920 0.02 1 589 . 67 ILE CA C 57.791 0.20 1 590 . 67 ILE HA H 4.861 0.02 1 591 . 67 ILE CB C 37.930 0.20 1 592 . 67 ILE HB H 1.430 0.02 1 593 . 67 ILE CG1 C 28.430 0.20 2 594 . 67 ILE HG12 H 0.260 0.02 9 595 . 67 ILE HG13 H 0.730 0.02 9 596 . 67 ILE CD1 C 11.000 0.20 1 597 . 67 ILE HD1 H -0.185 0.02 1 598 . 67 ILE CG2 C 18.820 0.20 2 599 . 67 ILE HG2 H 0.290 0.02 4 600 . 67 ILE C C 175.062 0.20 1 601 . 68 VAL N N 126.604 0.20 1 602 . 68 VAL H H 8.914 0.02 1 603 . 68 VAL CA C 60.167 0.20 1 604 . 68 VAL HA H 5.108 0.02 1 605 . 68 VAL CB C 34.702 0.20 1 606 . 68 VAL HB H 1.900 0.02 1 607 . 68 VAL CG2 C 23.126 0.20 1 608 . 68 VAL HG2 H 1.010 0.02 2 609 . 68 VAL CG1 C 20.749 0.20 1 610 . 68 VAL HG1 H 1.298 0.02 2 611 . 68 VAL C C 176.423 0.20 1 612 . 69 GLY N N 113.048 0.20 1 613 . 69 GLY H H 8.326 0.02 1 614 . 69 GLY CA C 46.061 0.20 1 615 . 69 GLY HA2 H 3.985 0.02 2 616 . 69 GLY HA3 H 4.301 0.02 2 617 . 69 GLY C C 172.497 0.20 1 618 . 70 LEU N N 125.728 0.20 1 619 . 70 LEU H H 8.507 0.02 1 620 . 70 LEU CA C 50.520 0.20 1 621 . 70 LEU HA H 5.030 0.02 1 622 . 70 LEU CB C 43.700 0.20 1 623 . 70 LEU HB2 H 1.850 0.02 2 624 . 70 LEU CD1 C 25.050 0.20 1 625 . 70 LEU HD1 H 0.870 0.02 2 626 . 70 LEU CD2 C 26.200 0.20 1 627 . 70 LEU HD2 H 0.840 0.02 2 628 . 71 PRO CA C 62.340 0.20 1 629 . 71 PRO HA H 4.170 0.02 1 630 . 71 PRO CB C 31.445 0.20 1 631 . 71 PRO HB2 H 2.170 0.02 2 632 . 71 PRO HB3 H 1.820 0.02 2 633 . 71 PRO C C 176.039 0.20 1 634 . 72 LEU N N 123.764 0.20 1 635 . 72 LEU H H 7.899 0.02 1 636 . 72 LEU CA C 54.030 0.20 1 637 . 72 LEU HA H 4.550 0.02 1 638 . 72 LEU CB C 47.541 0.20 1 639 . 72 LEU HB2 H 1.390 0.02 1 640 . 72 LEU HB3 H 1.390 0.02 1 641 . 72 LEU HD1 H 0.710 0.02 1 642 . 72 LEU CD2 C 26.000 0.20 2 643 . 72 LEU HD2 H 0.770 0.02 1 644 . 72 LEU C C 177.079 0.20 1 645 . 73 ASN N N 116.561 0.20 1 646 . 73 ASN H H 8.602 0.02 1 647 . 73 ASN CA C 53.510 0.20 1 648 . 73 ASN HA H 4.780 0.02 1 649 . 73 ASN CB C 39.143 0.20 1 650 . 73 ASN HB2 H 2.810 0.02 1 651 . 73 ASN HB3 H 2.810 0.02 1 652 . 73 ASN ND2 N 116.909 0.20 1 653 . 73 ASN HD21 H 7.460 0.02 2 654 . 73 ASN HD22 H 6.790 0.02 2 655 . 74 MET CA C 58.308 0.20 1 656 . 74 MET HA H 4.130 0.02 1 657 . 74 MET CB C 31.610 0.20 1 658 . 74 MET HB2 H 2.650 0.02 2 659 . 74 MET HB3 H 2.550 0.02 2 660 . 74 MET HG2 H 3.250 0.02 2 661 . 74 MET CE C 16.590 0.20 1 662 . 74 MET HE H 2.040 0.02 1 663 . 74 MET C C 176.970 0.20 1 664 . 75 ASP N N 115.789 0.20 1 665 . 75 ASP H H 7.813 0.02 1 666 . 75 ASP CA C 53.059 0.20 1 667 . 75 ASP HA H 4.470 0.02 1 668 . 75 ASP CB C 39.672 0.20 1 669 . 75 ASP HB2 H 3.066 0.02 2 670 . 75 ASP HB3 H 2.569 0.02 2 671 . 75 ASP C C 177.233 0.20 1 672 . 76 GLY N N 108.279 0.20 1 673 . 76 GLY H H 8.209 0.02 1 674 . 76 GLY CA C 45.126 0.20 1 675 . 76 GLY HA2 H 3.381 0.02 2 676 . 76 GLY HA3 H 4.246 0.02 2 677 . 76 GLY C C 174.141 0.20 1 678 . 77 THR N N 110.956 0.20 1 679 . 77 THR H H 7.867 0.02 1 680 . 77 THR CA C 61.392 0.20 1 681 . 77 THR HA H 4.350 0.02 1 682 . 77 THR CB C 71.228 0.20 1 683 . 77 THR HB H 4.280 0.02 1 684 . 77 THR CG2 C 21.990 0.20 1 685 . 77 THR HG2 H 1.180 0.02 1 686 . 77 THR C C 174.151 0.20 1 687 . 78 GLU N N 117.751 0.20 1 688 . 78 GLU H H 8.441 0.02 1 689 . 78 GLU CA C 57.321 0.20 1 690 . 78 GLU HA H 4.216 0.02 1 691 . 78 GLU CB C 30.120 0.20 1 692 . 78 GLU HB2 H 1.910 0.02 2 693 . 78 GLU HB3 H 2.060 0.02 2 694 . 78 GLU CG C 37.400 0.20 1 695 . 78 GLU HG2 H 2.550 0.02 2 696 . 78 GLU HG3 H 2.150 0.02 2 697 . 78 GLU C C 176.271 0.20 1 698 . 79 GLN N N 118.826 0.20 1 699 . 79 GLN H H 8.708 0.02 1 700 . 79 GLN CA C 53.676 0.20 1 701 . 79 GLN HA H 4.929 0.02 1 702 . 79 GLN CB C 28.798 0.20 1 703 . 79 GLN HB2 H 2.040 0.02 2 704 . 79 GLN HB3 H 1.880 0.02 2 705 . 79 GLN CG C 33.290 0.20 1 706 . 79 GLN HG2 H 2.250 0.02 2 707 . 79 GLN HG3 H 2.020 0.02 2 708 . 79 GLN NE2 N 110.000 0.20 1 709 . 79 GLN HE21 H 6.610 0.02 2 710 . 79 GLN HE22 H 6.990 0.02 2 711 . 80 PRO CA C 66.450 0.20 1 712 . 80 PRO HA H 4.320 0.02 1 713 . 80 PRO CB C 32.120 0.20 1 714 . 80 PRO HB2 H 1.870 0.02 2 715 . 80 PRO HB3 H 2.020 0.02 2 716 . 80 PRO HG2 H 2.440 0.02 2 717 . 80 PRO HD2 H 3.840 0.02 2 718 . 80 PRO C C 178.682 0.20 1 719 . 81 LEU N N 112.632 0.20 1 720 . 81 LEU H H 8.113 0.02 1 721 . 81 LEU CA C 55.917 0.20 1 722 . 81 LEU HA H 4.280 0.02 1 723 . 81 LEU CB C 42.294 0.20 1 724 . 81 LEU HB2 H 1.790 0.02 1 725 . 81 LEU HB3 H 1.790 0.02 1 726 . 81 LEU HG H 1.670 0.02 1 727 . 81 LEU CD1 C 25.030 0.20 1 728 . 81 LEU HD1 H 0.990 0.02 2 729 . 81 LEU CD2 C 24.020 0.20 1 730 . 81 LEU HD2 H 0.930 0.02 2 731 . 81 LEU C C 177.859 0.20 1 732 . 82 THR N N 117.937 0.20 1 733 . 82 THR H H 8.142 0.02 1 734 . 82 THR CA C 68.511 0.20 1 735 . 82 THR HA H 4.220 0.02 1 736 . 82 THR CB C 68.860 0.20 1 737 . 82 THR HB H 3.610 0.02 1 738 . 82 THR CG2 C 22.933 0.20 1 739 . 82 THR HG2 H 1.309 0.02 1 740 . 82 THR C C 175.915 0.20 1 741 . 83 ALA N N 121.115 0.20 1 742 . 83 ALA H H 8.457 0.02 1 743 . 83 ALA CA C 55.052 0.20 1 744 . 83 ALA HA H 4.030 0.02 1 745 . 83 ALA CB C 18.170 0.20 1 746 . 83 ALA HB H 1.460 0.02 1 747 . 83 ALA C C 181.000 0.20 1 748 . 84 ARG N N 117.219 0.20 1 749 . 84 ARG H H 7.429 0.02 1 750 . 84 ARG CA C 58.458 0.20 1 751 . 84 ARG HA H 3.880 0.02 1 752 . 84 ARG CB C 30.171 0.20 1 753 . 84 ARG HB3 H 1.850 0.02 2 754 . 84 ARG HG2 H 1.700 0.02 2 755 . 84 ARG HD2 H 3.140 0.02 2 756 . 84 ARG C C 178.289 0.20 1 757 . 85 ALA N N 125.328 0.20 1 758 . 85 ALA H H 8.224 0.02 1 759 . 85 ALA CA C 55.233 0.20 1 760 . 85 ALA HA H 3.347 0.02 1 761 . 85 ALA CB C 17.637 0.20 1 762 . 85 ALA HB H 1.559 0.02 1 763 . 85 ALA C C 179.168 0.20 1 764 . 86 ARG N N 116.029 0.20 1 765 . 86 ARG H H 7.892 0.02 1 766 . 86 ARG CA C 60.048 0.20 1 767 . 86 ARG HA H 3.875 0.02 1 768 . 86 ARG CB C 29.918 0.20 1 769 . 86 ARG HB2 H 1.766 0.02 2 770 . 86 ARG HG2 H 1.460 0.02 2 771 . 86 ARG HD3 H 3.060 0.02 2 772 . 86 ARG C C 178.951 0.20 1 773 . 87 LYS N N 119.532 0.20 1 774 . 87 LYS H H 7.785 0.02 1 775 . 87 LYS CA C 59.386 0.20 1 776 . 87 LYS HA H 4.065 0.02 1 777 . 87 LYS CB C 31.946 0.20 1 778 . 87 LYS HB3 H 1.900 0.02 2 779 . 87 LYS HG2 H 1.540 0.02 2 780 . 87 LYS HD2 H 1.440 0.02 2 781 . 87 LYS C C 178.499 0.20 1 782 . 88 PHE N N 121.380 0.20 1 783 . 88 PHE H H 7.897 0.02 1 784 . 88 PHE CA C 60.565 0.20 1 785 . 88 PHE HA H 4.420 0.02 1 786 . 88 PHE CB C 39.072 0.20 1 787 . 88 PHE HB2 H 3.036 0.02 2 788 . 88 PHE HB3 H 2.930 0.02 2 789 . 88 PHE CD1 C 131.870 0.20 1 790 . 88 PHE HD1 H 7.340 0.02 1 791 . 88 PHE CE1 C 130.090 0.20 1 792 . 88 PHE HE1 H 6.760 0.02 1 793 . 88 PHE CZ C 128.370 0.20 1 794 . 88 PHE HZ H 6.230 0.02 1 795 . 88 PHE CE2 C 130.090 0.20 1 796 . 88 PHE HE2 H 6.760 0.02 1 797 . 88 PHE CD2 C 131.870 0.20 1 798 . 88 PHE HD2 H 7.340 0.02 1 799 . 88 PHE C C 179.047 0.20 1 800 . 89 ALA N N 120.396 0.20 1 801 . 89 ALA H H 8.107 0.02 1 802 . 89 ALA CA C 55.360 0.20 1 803 . 89 ALA HA H 3.710 0.02 1 804 . 89 ALA CB C 18.600 0.20 1 805 . 89 ALA HB H 1.452 0.02 1 806 . 89 ALA C C 179.079 0.20 1 807 . 90 ASN N N 115.514 0.20 1 808 . 90 ASN H H 7.968 0.02 1 809 . 90 ASN CA C 55.893 0.20 1 810 . 90 ASN HA H 4.440 0.02 1 811 . 90 ASN CB C 38.562 0.20 1 812 . 90 ASN HB2 H 2.900 0.02 2 813 . 90 ASN HB3 H 2.860 0.02 2 814 . 90 ASN ND2 N 112.450 0.20 1 815 . 90 ASN HD21 H 6.900 0.02 2 816 . 90 ASN HD22 H 7.630 0.02 2 817 . 90 ASN C C 178.590 0.20 1 818 . 91 ARG N N 122.298 0.20 1 819 . 91 ARG H H 8.576 0.02 1 820 . 91 ARG CA C 58.583 0.20 1 821 . 91 ARG HA H 4.027 0.02 1 822 . 91 ARG CB C 30.124 0.20 1 823 . 91 ARG HB2 H 1.650 0.02 1 824 . 91 ARG HB3 H 1.650 0.02 1 825 . 91 ARG HG2 H 1.578 0.02 2 826 . 91 ARG HG3 H 1.410 0.02 2 827 . 91 ARG HD3 H 3.140 0.02 2 828 . 91 ARG C C 178.964 0.20 1 829 . 92 ILE N N 119.632 0.20 1 830 . 92 ILE H H 8.126 0.02 1 831 . 92 ILE CA C 65.056 0.20 1 832 . 92 ILE HA H 3.650 0.02 1 833 . 92 ILE CB C 37.310 0.20 1 834 . 92 ILE HB H 1.850 0.02 1 835 . 92 ILE CG1 C 29.000 0.20 2 836 . 92 ILE HG12 H 1.460 0.02 9 837 . 92 ILE HG13 H 1.460 0.02 9 838 . 92 ILE CD1 C 13.600 0.20 1 839 . 92 ILE HD1 H 0.200 0.02 1 840 . 92 ILE CG2 C 18.260 0.20 2 841 . 92 ILE HG2 H 0.830 0.02 4 842 . 92 ILE C C 178.033 0.20 1 843 . 93 HIS N N 119.156 0.20 1 844 . 93 HIS H H 7.779 0.02 1 845 . 93 HIS CA C 59.940 0.20 1 846 . 93 HIS HA H 4.320 0.02 1 847 . 93 HIS CB C 29.598 0.20 1 848 . 93 HIS HB3 H 3.230 0.02 2 849 . 93 HIS CD2 C 120.900 0.20 1 850 . 93 HIS HD2 H 7.030 0.02 2 851 . 93 HIS CE1 C 137.610 0.20 1 852 . 93 HIS HE1 H 7.430 0.02 2 853 . 93 HIS C C 178.785 0.20 1 854 . 94 GLY N N 106.229 0.20 1 855 . 94 GLY H H 8.542 0.02 1 856 . 94 GLY CA C 46.480 0.20 1 857 . 94 GLY HA2 H 3.507 0.02 2 858 . 94 GLY HA3 H 3.683 0.02 2 859 . 94 GLY C C 175.159 0.20 1 860 . 95 ARG N N 118.283 0.20 1 861 . 95 ARG H H 7.788 0.02 1 862 . 95 ARG CA C 57.740 0.20 1 863 . 95 ARG HA H 3.720 0.02 1 864 . 95 ARG CB C 30.224 0.20 1 865 . 95 ARG HB2 H 0.434 0.02 2 866 . 95 ARG HB3 H 0.841 0.02 2 867 . 95 ARG CG C 27.870 0.20 1 868 . 95 ARG HG2 H 0.355 0.02 2 869 . 95 ARG HG3 H 0.759 0.02 2 870 . 95 ARG CD C 42.300 0.20 1 871 . 95 ARG HD2 H 1.663 0.02 2 872 . 95 ARG HD3 H 1.906 0.02 2 873 . 95 ARG C C 177.968 0.20 1 874 . 96 PHE N N 112.170 0.20 1 875 . 96 PHE H H 7.552 0.02 1 876 . 96 PHE CA C 57.531 0.20 1 877 . 96 PHE HA H 4.870 0.02 1 878 . 96 PHE CB C 40.497 0.20 1 879 . 96 PHE HB2 H 2.680 0.02 2 880 . 96 PHE HB3 H 3.370 0.02 2 881 . 96 PHE HD1 H 7.410 0.02 2 882 . 96 PHE HE1 H 7.290 0.02 2 883 . 96 PHE CZ C 132.000 0.20 1 884 . 96 PHE HZ H 7.490 0.02 1 885 . 96 PHE C C 176.963 0.20 1 886 . 97 GLY N N 109.281 0.20 1 887 . 97 GLY H H 8.061 0.02 1 888 . 97 GLY CA C 46.478 0.20 1 889 . 97 GLY HA2 H 3.589 0.02 2 890 . 97 GLY HA3 H 3.918 0.02 2 891 . 97 GLY C C 173.561 0.20 1 892 . 98 VAL N N 115.036 0.20 1 893 . 98 VAL H H 6.568 0.02 1 894 . 98 VAL CA C 59.320 0.20 1 895 . 98 VAL HA H 4.343 0.02 1 896 . 98 VAL CB C 33.475 0.20 1 897 . 98 VAL HB H 1.940 0.02 1 898 . 98 VAL CG2 C 20.645 0.20 2 899 . 98 VAL HG2 H 0.851 0.02 1 900 . 98 VAL CG1 C 21.484 0.20 2 901 . 98 VAL HG1 H 0.877 0.02 1 902 . 98 VAL C C 174.603 0.20 1 903 . 99 GLU N N 126.592 0.20 1 904 . 99 GLU H H 8.677 0.02 1 905 . 99 GLU CA C 57.479 0.20 1 906 . 99 GLU HA H 4.201 0.02 1 907 . 99 GLU CB C 29.780 0.20 1 908 . 99 GLU HB2 H 2.060 0.02 2 909 . 99 GLU HG2 H 2.270 0.02 2 910 . 99 GLU C C 175.003 0.20 1 911 . 100 VAL N N 124.581 0.20 1 912 . 100 VAL H H 8.030 0.02 1 913 . 100 VAL CA C 59.825 0.20 1 914 . 100 VAL HA H 5.090 0.02 1 915 . 100 VAL CB C 34.249 0.20 1 916 . 100 VAL HB H 1.760 0.02 1 917 . 100 VAL CG2 C 21.617 0.20 2 918 . 100 VAL HG2 H 0.977 0.02 1 919 . 100 VAL CG1 C 22.556 0.20 2 920 . 100 VAL HG1 H 0.822 0.02 1 921 . 100 VAL C C 175.806 0.20 1 922 . 101 LYS N N 126.982 0.20 1 923 . 101 LYS H H 9.098 0.02 1 924 . 101 LYS CA C 53.828 0.20 1 925 . 101 LYS HA H 4.598 0.02 1 926 . 101 LYS CB C 34.740 0.20 1 927 . 101 LYS HB2 H 1.534 0.02 2 928 . 101 LYS HG2 H 1.695 0.02 2 929 . 101 LYS C C 174.853 0.20 1 930 . 102 LEU N N 122.619 0.20 1 931 . 102 LEU H H 8.410 0.02 1 932 . 102 LEU CA C 53.133 0.20 1 933 . 102 LEU HA H 5.306 0.02 1 934 . 102 LEU CB C 42.755 0.20 1 935 . 102 LEU HB2 H 1.789 0.02 2 936 . 102 LEU HB3 H 1.820 0.02 2 937 . 102 LEU HG H 1.330 0.02 1 938 . 102 LEU CD1 C 26.280 0.20 2 939 . 102 LEU HD1 H 0.946 0.02 1 940 . 102 LEU CD2 C 23.670 0.20 2 941 . 102 LEU HD2 H 0.786 0.02 1 942 . 102 LEU C C 177.074 0.20 1 943 . 103 HIS N N 123.770 0.20 1 944 . 103 HIS H H 8.507 0.02 1 945 . 103 HIS CA C 55.368 0.20 1 946 . 103 HIS HA H 4.964 0.02 1 947 . 103 HIS CB C 33.895 0.20 1 948 . 103 HIS HB2 H 2.666 0.02 2 949 . 103 HIS HB3 H 2.451 0.02 2 950 . 103 HIS C C 173.579 0.20 1 951 . 104 ASP N N 129.180 0.20 1 952 . 104 ASP H H 8.175 0.02 1 953 . 104 ASP CA C 54.358 0.20 1 954 . 104 ASP HA H 4.460 0.02 1 955 . 104 ASP CB C 40.981 0.20 1 956 . 104 ASP HB2 H 2.420 0.02 2 957 . 104 ASP C C 175.849 0.20 1 958 . 105 GLU N N 126.130 0.20 1 959 . 105 GLU H H 8.364 0.02 1 960 . 105 GLU CA C 57.174 0.20 1 961 . 105 GLU HA H 4.061 0.02 1 962 . 105 GLU CB C 30.491 0.20 1 963 . 105 GLU HB2 H 1.830 0.02 2 964 . 105 GLU HB3 H 2.050 0.02 2 965 . 105 GLU CG C 36.000 0.20 1 966 . 105 GLU HG2 H 2.140 0.02 2 967 . 105 GLU C C 176.994 0.20 1 968 . 106 ARG N N 120.418 0.20 1 969 . 106 ARG H H 8.612 0.02 1 970 . 106 ARG CA C 56.860 0.20 1 971 . 106 ARG HA H 4.214 0.02 1 972 . 106 ARG CB C 30.050 0.20 1 973 . 106 ARG HB2 H 1.680 0.02 2 974 . 106 ARG HG2 H 1.520 0.02 2 975 . 106 ARG HD2 H 3.090 0.02 1 976 . 106 ARG C C 177.656 0.20 1 977 . 107 LEU N N 119.453 0.20 1 978 . 107 LEU H H 7.894 0.02 1 979 . 107 LEU CA C 55.726 0.20 1 980 . 107 LEU HA H 4.250 0.02 1 981 . 107 LEU CB C 42.200 0.20 1 982 . 107 LEU HB2 H 1.660 0.02 2 983 . 107 LEU HG H 1.480 0.02 1 984 . 107 LEU CD1 C 25.600 0.20 1 985 . 107 LEU HD1 H 0.820 0.02 2 986 . 107 LEU CD2 C 22.830 0.20 1 987 . 107 LEU HD2 H 0.790 0.02 2 988 . 107 LEU C C 177.572 0.20 1 989 . 108 SER N N 114.865 0.20 1 990 . 108 SER H H 8.009 0.02 1 991 . 108 SER CA C 58.228 0.20 1 992 . 108 SER HA H 4.470 0.02 1 993 . 108 SER CB C 63.728 0.20 1 994 . 108 SER HB2 H 3.900 0.02 2 995 . 108 SER HB3 H 3.780 0.02 2 996 . 108 SER C C 174.878 0.20 1 997 . 109 THR N N 114.578 0.20 1 998 . 109 THR H H 7.970 0.02 1 999 . 109 THR CA C 61.477 0.20 1 1000 . 109 THR HA H 4.397 0.02 1 1001 . 109 THR CB C 69.497 0.20 1 1002 . 109 THR HB H 4.320 0.02 1 1003 . 109 THR CG2 C 21.700 0.20 1 1004 . 109 THR HG2 H 1.199 0.02 1 1005 . 109 THR C C 174.934 0.20 1 1006 . 110 VAL N N 121.445 0.20 1 1007 . 110 VAL H H 8.062 0.02 1 1008 . 110 VAL CA C 63.234 0.20 1 1009 . 110 VAL HA H 3.971 0.02 1 1010 . 110 VAL CB C 32.249 0.20 1 1011 . 110 VAL HB H 2.040 0.02 1 1012 . 110 VAL CG2 C 21.060 0.20 2 1013 . 110 VAL HG2 H 0.913 0.02 1 1014 . 110 VAL CG1 C 21.200 0.20 2 1015 . 110 VAL HG1 H 0.910 0.02 1 1016 . 110 VAL C C 176.900 0.20 1 1017 . 111 GLU N N 123.056 0.20 1 1018 . 111 GLU H H 8.465 0.02 1 1019 . 111 GLU CA C 57.268 0.20 1 1020 . 111 GLU HA H 4.110 0.02 1 1021 . 111 GLU CB C 29.674 0.20 1 1022 . 111 GLU HB2 H 1.940 0.02 1 1023 . 111 GLU HB3 H 1.940 0.02 1 1024 . 111 GLU CG C 36.300 0.20 1 1025 . 111 GLU HG2 H 2.200 0.02 2 1026 . 111 GLU C C 176.940 0.20 1 1027 . 112 ALA N N 124.237 0.20 1 1028 . 112 ALA H H 8.170 0.02 1 1029 . 112 ALA CA C 53.209 0.20 1 1030 . 112 ALA HA H 4.180 0.02 1 1031 . 112 ALA CB C 19.000 0.20 1 1032 . 112 ALA HB H 1.350 0.02 1 1033 . 114 SER CA C 59.340 0.20 1 1034 . 114 SER CB C 63.810 0.20 1 1035 . 115 GLY N N 110.379 0.20 1 1036 . 115 GLY H H 8.261 0.02 1 1037 . 115 GLY CA C 45.530 0.20 1 1038 . 115 GLY C C 174.295 0.20 1 1039 . 116 LEU N N 120.928 0.20 1 1040 . 116 LEU H H 7.863 0.02 1 1041 . 116 LEU CA C 55.630 0.20 1 1042 . 116 LEU HA H 4.150 0.02 1 1043 . 116 LEU CB C 41.980 0.20 1 1044 . 116 LEU HB2 H 1.380 0.02 2 1045 . 117 PHE N N 119.265 0.20 1 1046 . 117 PHE H H 8.109 0.02 1 1047 . 117 PHE CA C 57.950 0.20 1 1048 . 117 PHE HA H 4.540 0.02 1 1049 . 117 PHE CB C 38.980 0.20 1 1050 . 117 PHE HB2 H 2.930 0.02 2 1051 . 117 PHE HB3 H 3.150 0.02 2 1052 . 117 PHE HD1 H 7.150 0.02 2 1053 . 118 GLU N N 121.442 0.20 1 1054 . 118 GLU H H 8.244 0.02 1 1055 . 118 GLU CA C 55.630 0.20 1 1056 . 118 GLU HA H 4.190 0.02 1 1057 . 118 GLU CB C 30.020 0.20 1 1058 . 118 GLU HB2 H 1.870 0.02 2 1059 . 118 GLU HG2 H 2.150 0.02 2 1060 . 132 SER CA C 58.890 0.20 1 1061 . 132 SER CB C 64.030 0.20 1 1062 . 132 SER C C 174.360 0.20 1 1063 . 133 ALA N N 124.164 0.20 1 1064 . 133 ALA H H 7.972 0.02 1 1065 . 133 ALA CA C 55.213 0.20 1 1066 . 133 ALA HA H 3.910 0.02 1 1067 . 133 ALA CB C 18.990 0.20 1 1068 . 133 ALA HB H 1.373 0.02 1 1069 . 133 ALA C C 180.494 0.20 1 1070 . 134 SER N N 113.681 0.20 1 1071 . 134 SER H H 8.432 0.02 1 1072 . 134 SER CA C 61.891 0.20 1 1073 . 134 SER HA H 4.144 0.02 1 1074 . 134 SER HB2 H 3.730 0.02 2 1075 . 134 SER HB3 H 3.940 0.02 2 1076 . 134 SER C C 176.156 0.20 1 1077 . 135 ALA N N 124.311 0.20 1 1078 . 135 ALA H H 7.624 0.02 1 1079 . 135 ALA CA C 54.743 0.20 1 1080 . 135 ALA HA H 3.744 0.02 1 1081 . 135 ALA CB C 17.122 0.20 1 1082 . 135 ALA HB H 1.100 0.02 1 1083 . 135 ALA C C 177.896 0.20 1 1084 . 136 VAL N N 117.449 0.20 1 1085 . 136 VAL H H 7.146 0.02 1 1086 . 136 VAL CA C 66.045 0.20 1 1087 . 136 VAL HA H 2.923 0.02 1 1088 . 136 VAL CB C 31.155 0.20 1 1089 . 136 VAL HB H 2.204 0.02 1 1090 . 136 VAL CG2 C 23.050 0.20 2 1091 . 136 VAL HG2 H 0.729 0.02 1 1092 . 136 VAL CG1 C 21.200 0.20 2 1093 . 136 VAL HG1 H 0.739 0.02 1 1094 . 136 VAL C C 176.694 0.20 1 1095 . 137 ILE N N 118.599 0.20 1 1096 . 137 ILE H H 6.986 0.02 1 1097 . 137 ILE CA C 64.357 0.20 1 1098 . 137 ILE HA H 3.680 0.02 1 1099 . 137 ILE CB C 37.073 0.20 1 1100 . 137 ILE HB H 1.890 0.02 1 1101 . 137 ILE HG12 H 1.487 0.02 9 1102 . 137 ILE CD1 C 12.900 0.20 1 1103 . 137 ILE HD1 H 0.770 0.02 1 1104 . 137 ILE CG2 C 17.540 0.20 1 1105 . 137 ILE HG2 H 0.870 0.02 1 1106 . 137 ILE C C 179.150 0.20 1 1107 . 138 ILE N N 120.518 0.20 1 1108 . 138 ILE H H 7.856 0.02 1 1109 . 138 ILE CA C 65.052 0.20 1 1110 . 138 ILE HA H 3.480 0.02 1 1111 . 138 ILE CB C 38.070 0.20 1 1112 . 138 ILE HB H 1.660 0.02 1 1113 . 138 ILE CG1 C 29.000 0.20 2 1114 . 138 ILE HG13 H 1.040 0.02 9 1115 . 138 ILE CD1 C 13.770 0.20 1 1116 . 138 ILE HD1 H 0.780 0.02 1 1117 . 138 ILE CG2 C 17.080 0.20 2 1118 . 138 ILE HG2 H 0.602 0.02 4 1119 . 138 ILE C C 176.972 0.20 1 1120 . 139 LEU N N 119.508 0.20 1 1121 . 139 LEU H H 7.365 0.02 1 1122 . 139 LEU CA C 56.938 0.20 1 1123 . 139 LEU HA H 3.480 0.02 1 1124 . 139 LEU CB C 39.729 0.20 1 1125 . 139 LEU HB2 H 1.260 0.02 2 1126 . 139 LEU HB3 H 1.050 0.02 2 1127 . 139 LEU CG C 26.300 0.20 1 1128 . 139 LEU HG H 0.830 0.02 1 1129 . 139 LEU CD1 C 23.360 0.20 2 1130 . 139 LEU HD1 H 0.210 0.02 1 1131 . 139 LEU CD2 C 25.150 0.20 2 1132 . 139 LEU HD2 H 0.310 0.02 1 1133 . 139 LEU C C 177.618 0.20 1 1134 . 140 GLU N N 116.692 0.20 1 1135 . 140 GLU H H 8.475 0.02 1 1136 . 140 GLU CA C 60.338 0.20 1 1137 . 140 GLU HA H 3.810 0.02 1 1138 . 140 GLU CB C 28.692 0.20 1 1139 . 140 GLU HB2 H 2.180 0.02 2 1140 . 140 GLU HB3 H 1.970 0.02 2 1141 . 140 GLU CG C 38.100 0.20 1 1142 . 140 GLU HG2 H 2.530 0.02 2 1143 . 140 GLU C C 179.712 0.20 1 1144 . 141 SER N N 114.511 0.20 1 1145 . 141 SER H H 8.146 0.02 1 1146 . 141 SER CA C 60.369 0.20 1 1147 . 141 SER HA H 4.312 0.02 1 1148 . 141 SER CB C 62.276 0.20 1 1149 . 141 SER HB2 H 4.110 0.02 2 1150 . 141 SER HB3 H 4.020 0.02 2 1151 . 141 SER C C 176.940 0.20 1 1152 . 142 TYR N N 124.170 0.20 1 1153 . 142 TYR H H 8.142 0.02 1 1154 . 142 TYR CA C 62.362 0.20 1 1155 . 142 TYR HA H 3.470 0.02 1 1156 . 142 TYR CB C 37.940 0.20 1 1157 . 142 TYR HB2 H 2.660 0.02 2 1158 . 142 TYR HB3 H 2.100 0.02 2 1159 . 142 TYR CD1 C 131.889 0.20 1 1160 . 142 TYR HD1 H 6.490 0.02 2 1161 . 142 TYR CE1 C 119.090 0.20 1 1162 . 142 TYR HE1 H 6.590 0.02 1 1163 . 142 TYR CE2 C 119.090 0.20 1 1164 . 142 TYR HE2 H 6.590 0.02 1 1165 . 142 TYR CD2 C 131.889 0.20 1 1166 . 142 TYR HD2 H 6.500 0.02 2 1167 . 142 TYR C C 179.003 0.20 1 1168 . 143 PHE N N 118.290 0.20 1 1169 . 143 PHE H H 8.360 0.02 1 1170 . 143 PHE CA C 57.714 0.20 1 1171 . 143 PHE HA H 4.391 0.02 1 1172 . 143 PHE CB C 37.558 0.20 1 1173 . 143 PHE HB2 H 3.170 0.02 2 1174 . 143 PHE HD1 H 7.020 0.20 2 1175 . 143 PHE HZ H 6.930 0.02 1 1176 . 143 PHE C C 178.492 0.20 1 1177 . 144 GLU N N 119.069 0.20 1 1178 . 144 GLU H H 7.904 0.02 1 1179 . 144 GLU CA C 58.230 0.20 1 1180 . 144 GLU HA H 4.070 0.02 1 1181 . 144 GLU CB C 29.655 0.20 1 1182 . 144 GLU HB2 H 2.195 0.02 2 1183 . 144 GLU HB3 H 2.280 0.02 2 1184 . 144 GLU CG C 36.320 0.20 1 1185 . 144 GLU HG2 H 2.420 0.02 2 1186 . 144 GLU HG3 H 2.290 0.02 2 1187 . 144 GLU C C 178.044 0.20 1 1188 . 145 GLN N N 116.649 0.20 1 1189 . 145 GLN H H 7.917 0.02 1 1190 . 145 GLN CA C 56.724 0.20 1 1191 . 145 GLN HA H 4.134 0.02 1 1192 . 145 GLN CB C 28.554 0.20 1 1193 . 145 GLN HB2 H 1.910 0.02 2 1194 . 145 GLN CG C 34.000 0.20 1 1195 . 145 GLN HG2 H 2.400 0.02 2 1196 . 145 GLN HG3 H 2.520 0.02 2 1197 . 145 GLN NE2 N 112.261 0.20 1 1198 . 145 GLN HE21 H 6.870 0.02 2 1199 . 145 GLN HE22 H 7.600 0.02 2 1200 . 145 GLN C C 177.536 0.20 1 1201 . 146 GLY N N 107.376 0.20 1 1202 . 146 GLY H H 7.825 0.02 1 1203 . 146 GLY CA C 45.736 0.20 1 1204 . 146 GLY HA2 H 3.730 0.02 2 1205 . 146 GLY C C 174.526 0.20 1 1206 . 147 TYR N N 119.893 0.20 1 1207 . 147 TYR H H 7.744 0.02 1 1208 . 147 TYR CA C 58.277 0.20 1 1209 . 147 TYR HA H 4.454 0.02 1 1210 . 147 TYR CB C 38.093 0.20 1 1211 . 147 TYR HB2 H 3.050 0.02 2 1212 . 147 TYR HB3 H 2.930 0.02 2 1213 . 147 TYR HD1 H 6.930 0.02 2 1214 . 147 TYR CE1 C 117.780 0.20 2 1215 . 147 TYR HE1 H 7.160 0.02 2 1216 . 147 TYR C C 176.425 0.20 1 stop_ save_