data_5560 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the conserved hypothetical protein TM1290 of Thermotoga maritima ; _BMRB_accession_number 5560 _BMRB_flat_file_name bmr5560.str _Entry_type original _Submission_date 2002-10-16 _Accession_date 2002-10-17 _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 Etezady-Esfarjani Touraj . . 2 Peti Wolfgang . . 3 Wuethrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 607 "13C chemical shifts" 435 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-05-12 update BMRB 'Links to related BMRB entries inserted' 2003-02-18 original author 'Original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 6198 'homologous T. maritima protein TM1816' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: NMR assignment of the conserved hypothetical protein TM1290 of Thermotoga maritima ; _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 Etezady-Esfarjani Touraj . . 2 Peti Wolfgang . . 3 Wuethrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 25 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 168 _Year 2003 _Details . loop_ _Keyword 'hypothetical protein' 'NMR assignment' 'structural genomic' 'Thermotoga Maritima' 'triple resonance experiments' stop_ save_ ################################## # Molecular system description # ################################## save_system_TM1290 _Saveframe_category molecular_system _Mol_system_name 'TM1290 conserved hypothetical protein' _Abbreviation_common TM1290 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TM1290 monomer' $Tm1290 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_Tm1290 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tm1290 _Abbreviation_common Tm1290 _Molecular_mass 12538 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; MARVAIPSVGKDLSSMVSDR FARAEYFIIYDTESGNVEVV ENTIADAHGTGPKVVQSLVS KGVEYLIASNVGRNAFETLK AAGVKVYRFEGGTVQEAIDA FSEGRLEELTTFTREG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ARG 4 VAL 5 ALA 6 ILE 7 PRO 8 SER 9 VAL 10 GLY 11 LYS 12 ASP 13 LEU 14 SER 15 SER 16 MET 17 VAL 18 SER 19 ASP 20 ARG 21 PHE 22 ALA 23 ARG 24 ALA 25 GLU 26 TYR 27 PHE 28 ILE 29 ILE 30 TYR 31 ASP 32 THR 33 GLU 34 SER 35 GLY 36 ASN 37 VAL 38 GLU 39 VAL 40 VAL 41 GLU 42 ASN 43 THR 44 ILE 45 ALA 46 ASP 47 ALA 48 HIS 49 GLY 50 THR 51 GLY 52 PRO 53 LYS 54 VAL 55 VAL 56 GLN 57 SER 58 LEU 59 VAL 60 SER 61 LYS 62 GLY 63 VAL 64 GLU 65 TYR 66 LEU 67 ILE 68 ALA 69 SER 70 ASN 71 VAL 72 GLY 73 ARG 74 ASN 75 ALA 76 PHE 77 GLU 78 THR 79 LEU 80 LYS 81 ALA 82 ALA 83 GLY 84 VAL 85 LYS 86 VAL 87 TYR 88 ARG 89 PHE 90 GLU 91 GLY 92 GLY 93 THR 94 VAL 95 GLN 96 GLU 97 ALA 98 ILE 99 ASP 100 ALA 101 PHE 102 SER 103 GLU 104 GLY 105 ARG 106 LEU 107 GLU 108 GLU 109 LEU 110 THR 111 THR 112 PHE 113 THR 114 ARG 115 GLU 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1RDU "Nmr Structure Of A Putative Nifb Protein From Thermotoga (Tm1290), Which Belongs To The Duf35 Family" 100.00 116 100.00 100.00 3.98e-76 GB AAD36364 "conserved hypothetical protein [Thermotoga maritima MSB8]" 100.00 116 100.00 100.00 3.98e-76 GB ACB09867 "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga sp. RQ2]" 100.00 116 100.00 100.00 3.98e-76 GB AGL50222 "Glycine-rich cell wall structural protein precursor [Thermotoga maritima MSB8]" 100.00 116 100.00 100.00 3.98e-76 GB AHD18807 "dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga maritima MSB8]" 100.00 116 100.00 100.00 3.98e-76 REF NP_229094 "hypothetical protein TM1290 [Thermotoga maritima MSB8]" 100.00 116 100.00 100.00 3.98e-76 REF WP_004079939 "MULTISPECIES: Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga]" 100.00 116 100.00 100.00 3.98e-76 REF YP_001739550 "dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga sp. RQ2]" 100.00 116 100.00 100.00 3.98e-76 REF YP_007977647 "Glycine-rich cell wall structural protein precursor [Thermotoga maritima MSB8]" 100.00 116 100.00 100.00 3.98e-76 REF YP_008991614 "dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga maritima MSB8]" 100.00 116 100.00 100.00 3.98e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tm1290 'Thermotoga Maritima' 2336 Eubacteria . Thermotoga maritima 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 $Tm1290 '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 _Isotopic_labeling $Tm1290 3.8 mM '[U-98% 13C; U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tm1290 2.3 mM '[U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_1H-1H-15N-resolved_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N-resolved NOESY' _Sample_label . save_ save_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N-resolved NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _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 6.0 0.1 na temperature 313 0.1 K 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 . . . 1.000000000 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N TOCSY' HNCACB HNCO CBCA(CO)NH '1H-13C NOESY' '1H-1H-15N-resolved NOESY' '1H-1H NOESY' '1H-15N HSQC' '1H-13C HSQC' stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'TM1290 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 ALA CA C 51.5 0.05 1 2 . 2 ALA HA H 4.46 0.02 1 3 . 2 ALA HB H 1.63 0.02 1 4 . 2 ALA CB C 20.4 0.05 1 5 . 2 ALA C C 173.7 0.05 1 6 . 3 ARG N N 122.2 0.02 1 7 . 3 ARG H H 9.26 0.02 1 8 . 3 ARG CA C 56.1 0.05 1 9 . 3 ARG HA H 5.25 0.02 1 10 . 3 ARG CB C 31.3 0.05 1 11 . 3 ARG HB2 H 1.93 0.02 2 12 . 3 ARG HB3 H 1.54 0.02 2 13 . 3 ARG CG C 28.0 0.05 1 14 . 3 ARG HG2 H 1.68 0.02 2 15 . 3 ARG HG3 H 1.45 0.02 2 16 . 3 ARG CD C 43.4 0.05 1 17 . 3 ARG HD2 H 3.24 0.02 2 18 . 3 ARG HD3 H 3.10 0.02 2 19 . 3 ARG C C 175.0 0.05 1 20 . 4 VAL N N 126.1 0.02 1 21 . 4 VAL H H 9.27 0.02 1 22 . 4 VAL CA C 58.9 0.05 1 23 . 4 VAL HA H 5.07 0.02 1 24 . 4 VAL CB C 34.8 0.05 1 25 . 4 VAL HB H 1.78 0.02 1 26 . 4 VAL HG1 H 0.52 0.02 2 27 . 4 VAL HG2 H 0.51 0.02 2 28 . 4 VAL CG1 C 21.2 0.05 1 29 . 4 VAL CG2 C 20.2 0.05 1 30 . 4 VAL C C 173.5 0.05 1 31 . 5 ALA N N 126.7 0.02 1 32 . 5 ALA H H 8.87 0.02 1 33 . 5 ALA CA C 49.8 0.05 1 34 . 5 ALA HA H 5.95 0.02 1 35 . 5 ALA HB H 1.39 0.02 1 36 . 5 ALA CB C 23.7 0.05 1 37 . 5 ALA C C 176.4 0.05 1 38 . 6 ILE N N 120.6 0.02 1 39 . 6 ILE H H 9.24 0.02 1 40 . 6 ILE CA C 59.0 0.05 1 41 . 6 ILE HA H 5.40 0.02 1 42 . 6 ILE CB C 43.6 0.05 1 43 . 6 ILE HB H 1.83 0.02 1 44 . 6 ILE HG2 H 1.02 0.02 1 45 . 6 ILE CG2 C 21.9 0.05 1 46 . 6 ILE CG1 C 30.1 0.05 1 47 . 6 ILE HG12 H 1.53 0.02 2 48 . 6 ILE HG13 H 0.90 0.02 2 49 . 6 ILE HD1 H 0.68 0.02 1 50 . 6 ILE CD1 C 16.5 0.05 1 51 . 7 PRO CD C 52.7 0.05 1 52 . 7 PRO CA C 61.9 0.05 1 53 . 7 PRO HA H 4.61 0.02 1 54 . 7 PRO CB C 32.3 0.05 1 55 . 7 PRO HB2 H 2.11 0.02 1 56 . 7 PRO HB3 H 2.11 0.02 1 57 . 7 PRO CG C 27.9 0.05 1 58 . 7 PRO HG2 H 2.80 0.02 2 59 . 7 PRO HG3 H 2.31 0.02 2 60 . 7 PRO HD2 H 4.26 0.02 2 61 . 7 PRO HD3 H 4.67 0.02 2 62 . 7 PRO C C 176.7 0.05 1 63 . 8 SER N N 118.4 0.02 1 64 . 8 SER H H 9.20 0.02 1 65 . 8 SER CA C 56.7 0.05 1 66 . 8 SER HA H 5.10 0.02 1 67 . 8 SER CB C 66.0 0.05 1 68 . 8 SER HB2 H 3.58 0.02 2 69 . 8 SER HB3 H 3.52 0.02 2 70 . 8 SER HG H 4.51 0.02 1 71 . 8 SER C C 173.9 0.05 1 72 . 9 VAL N N 117.8 0.02 1 73 . 9 VAL H H 7.94 0.02 1 74 . 9 VAL CA C 61.9 0.05 1 75 . 9 VAL HA H 4.75 0.02 1 76 . 9 VAL CB C 31.6 0.05 1 77 . 9 VAL HB H 2.38 0.02 1 78 . 9 VAL HG1 H 1.05 0.02 2 79 . 9 VAL HG2 H 1.06 0.02 2 80 . 9 VAL CG1 C 21.2 0.05 1 81 . 9 VAL CG2 C 20.2 0.05 1 82 . 9 VAL C C 176.4 0.05 1 83 . 10 GLY N N 107.7 0.02 1 84 . 10 GLY H H 8.05 0.02 1 85 . 10 GLY CA C 44.6 0.05 1 86 . 10 GLY HA2 H 4.38 0.02 2 87 . 10 GLY HA3 H 3.77 0.02 2 88 . 10 GLY C C 172.1 0.05 1 89 . 11 LYS N N 113.9 0.02 1 90 . 11 LYS H H 7.62 0.02 1 91 . 11 LYS CA C 55.8 0.05 1 92 . 11 LYS HA H 3.67 0.02 1 93 . 11 LYS CB C 32.9 0.05 1 94 . 11 LYS HB2 H 1.37 0.02 2 95 . 11 LYS HB3 H 1.29 0.02 2 96 . 11 LYS CG C 23.7 0.05 1 97 . 11 LYS HG2 H 0.69 0.02 2 98 . 11 LYS HG3 H 0.42 0.02 2 99 . 11 LYS CD C 29.5 0.05 1 100 . 11 LYS HD2 H 1.47 0.02 1 101 . 11 LYS HD3 H 1.47 0.02 1 102 . 11 LYS CE C 41.9 0.05 1 103 . 11 LYS HE2 H 2.82 0.02 1 104 . 11 LYS HE3 H 2.82 0.02 1 105 . 11 LYS C C 174.4 0.05 1 106 . 12 ASP N N 115.8 0.02 1 107 . 12 ASP H H 7.47 0.02 1 108 . 12 ASP CA C 52.6 0.05 1 109 . 12 ASP HA H 4.78 0.02 1 110 . 12 ASP CB C 44.2 0.05 1 111 . 12 ASP HB2 H 2.66 0.02 2 112 . 12 ASP HB3 H 2.59 0.02 2 113 . 12 ASP C C 175.4 0.05 1 114 . 13 LEU N N 119.1 0.02 1 115 . 13 LEU H H 8.37 0.02 1 116 . 13 LEU CA C 57.4 0.05 1 117 . 13 LEU HA H 3.91 0.02 1 118 . 13 LEU CB C 41.0 0.05 1 119 . 13 LEU HB2 H 1.75 0.02 2 120 . 13 LEU HB3 H 1.46 0.02 2 121 . 13 LEU CG C 27.5 0.05 1 122 . 13 LEU HG H 1.56 0.02 1 123 . 13 LEU HD1 H 0.89 0.02 2 124 . 13 LEU HD2 H 0.66 0.02 2 125 . 13 LEU CD1 C 24.9 0.05 1 126 . 13 LEU CD2 C 23.4 0.05 1 127 . 13 LEU C C 176.2 0.05 1 128 . 14 SER N N 109.4 0.02 1 129 . 14 SER H H 7.71 0.02 1 130 . 14 SER CA C 57.9 0.05 1 131 . 14 SER HA H 4.46 0.02 1 132 . 14 SER CB C 63.5 0.05 1 133 . 14 SER HB2 H 4.05 0.02 2 134 . 14 SER HB3 H 3.81 0.02 2 135 . 14 SER C C 174.4 0.05 1 136 . 15 SER N N 118.4 0.02 1 137 . 15 SER H H 7.55 0.02 1 138 . 15 SER CA C 59.2 0.05 1 139 . 15 SER HA H 4.31 0.02 1 140 . 15 SER CB C 64.3 0.05 1 141 . 15 SER HB2 H 3.91 0.02 2 142 . 15 SER HB3 H 3.70 0.02 2 143 . 15 SER C C 172.5 0.05 1 144 . 16 MET N N 119.6 0.02 1 145 . 16 MET H H 8.12 0.02 1 146 . 16 MET CA C 55.1 0.05 1 147 . 16 MET HA H 4.63 0.02 1 148 . 16 MET CB C 31.6 0.05 1 149 . 16 MET HB2 H 1.99 0.02 2 150 . 16 MET HB3 H 1.89 0.02 2 151 . 16 MET CG C 32.7 0.05 1 152 . 16 MET HG2 H 2.76 0.02 2 153 . 16 MET HG3 H 2.63 0.02 2 154 . 16 MET HE H 2.05 0.02 1 155 . 16 MET CE C 16.7 0.05 1 156 . 16 MET C C 177.0 0.05 1 157 . 17 VAL N N 121.9 0.02 1 158 . 17 VAL H H 8.63 0.02 1 159 . 17 VAL CA C 63.6 0.05 1 160 . 17 VAL HA H 4.25 0.02 1 161 . 17 VAL CB C 31.9 0.05 1 162 . 17 VAL HB H 2.13 0.02 1 163 . 17 VAL HG1 H 1.25 0.02 2 164 . 17 VAL HG2 H 0.91 0.02 2 165 . 17 VAL CG1 C 20.3 0.05 1 166 . 17 VAL CG2 C 23.5 0.05 1 167 . 17 VAL C C 177.8 0.05 1 168 . 18 SER N N 121.4 0.02 1 169 . 18 SER H H 8.02 0.02 1 170 . 18 SER CA C 58.0 0.05 1 171 . 18 SER HA H 4.22 0.02 1 172 . 18 SER CB C 63.7 0.05 1 173 . 18 SER HB2 H 3.58 0.02 2 174 . 18 SER HB3 H 3.64 0.02 2 175 . 18 SER C C 174.6 0.05 1 176 . 19 ASP N N 125.5 0.02 1 177 . 19 ASP H H 8.50 0.02 1 178 . 19 ASP CA C 54.5 0.05 1 179 . 19 ASP HA H 4.69 0.02 1 180 . 19 ASP CB C 40.3 0.05 1 181 . 19 ASP HB2 H 2.83 0.02 2 182 . 19 ASP HB3 H 2.72 0.02 2 183 . 19 ASP C C 175.4 0.05 1 184 . 20 ARG N N 119.4 0.02 1 185 . 20 ARG H H 8.38 0.02 1 186 . 20 ARG CA C 54.6 0.05 1 187 . 20 ARG HA H 4.63 0.02 1 188 . 20 ARG CB C 32.1 0.05 1 189 . 20 ARG HB2 H 1.81 0.02 2 190 . 20 ARG HB3 H 1.56 0.02 2 191 . 20 ARG CG C 26.1 0.05 1 192 . 20 ARG HG2 H 1.53 0.02 1 193 . 20 ARG HG3 H 1.53 0.02 1 194 . 20 ARG CD C 43.8 0.05 1 195 . 20 ARG HD2 H 3.06 0.02 2 196 . 20 ARG HD3 H 3.01 0.02 2 197 . 20 ARG C C 174.5 0.05 1 198 . 21 PHE N N 119.0 0.02 1 199 . 21 PHE H H 8.48 0.02 1 200 . 21 PHE CA C 60.8 0.05 1 201 . 21 PHE HA H 4.71 0.02 1 202 . 21 PHE CB C 40.4 0.05 1 203 . 21 PHE HB2 H 3.53 0.02 2 204 . 21 PHE HB3 H 3.36 0.02 2 205 . 21 PHE HD1 H 7.40 0.02 1 206 . 21 PHE HD2 H 7.40 0.02 1 207 . 21 PHE HE1 H 7.15 0.02 1 208 . 21 PHE HE2 H 7.15 0.02 1 209 . 21 PHE HZ H 6.73 0.02 1 210 . 21 PHE C C 174.5 0.05 1 211 . 22 ALA N N 123.0 0.02 1 212 . 22 ALA H H 9.11 0.02 1 213 . 22 ALA CA C 55.1 0.05 1 214 . 22 ALA HA H 3.67 0.02 1 215 . 22 ALA HB H 1.43 0.02 1 216 . 22 ALA CB C 18.0 0.05 1 217 . 22 ALA C C 178.4 0.05 1 218 . 23 ARG N N 110.9 0.02 1 219 . 23 ARG H H 7.78 0.02 1 220 . 23 ARG CA C 53.9 0.05 1 221 . 23 ARG HA H 4.30 0.02 1 222 . 23 ARG CB C 29.6 0.05 1 223 . 23 ARG HB2 H 2.09 0.02 2 224 . 23 ARG HB3 H 1.45 0.02 2 225 . 23 ARG CG C 27.1 0.05 1 226 . 23 ARG HG2 H 1.50 0.02 2 227 . 23 ARG HG3 H 1.63 0.02 2 228 . 23 ARG CD C 43.2 0.05 1 229 . 23 ARG HD2 H 3.17 0.02 1 230 . 23 ARG HD3 H 3.17 0.02 1 231 . 23 ARG C C 175.6 0.05 1 232 . 24 ALA N N 123.9 0.02 1 233 . 24 ALA H H 7.01 0.02 1 234 . 24 ALA CA C 53.2 0.05 1 235 . 24 ALA HA H 3.77 0.02 1 236 . 24 ALA HB H 1.03 0.02 1 237 . 24 ALA CB C 19.2 0.05 1 238 . 24 ALA C C 177.3 0.05 1 239 . 25 GLU N N 122.8 0.02 1 240 . 25 GLU H H 9.39 0.02 1 241 . 25 GLU CA C 61.4 0.05 1 242 . 25 GLU HA H 3.67 0.02 1 243 . 25 GLU CB C 29.8 0.05 1 244 . 25 GLU HB2 H 2.16 0.02 2 245 . 25 GLU HB3 H 1.44 0.02 2 246 . 25 GLU CG C 37.9 0.05 1 247 . 25 GLU HG2 H 2.18 0.02 2 248 . 25 GLU HG3 H 2.49 0.02 2 249 . 25 GLU C C 176.4 0.05 1 250 . 26 TYR N N 113.4 0.02 1 251 . 26 TYR H H 7.96 0.02 1 252 . 26 TYR CA C 55.9 0.05 1 253 . 26 TYR HA H 5.03 0.02 1 254 . 26 TYR CB C 43.0 0.05 1 255 . 26 TYR HB2 H 2.63 0.02 2 256 . 26 TYR HB3 H 2.55 0.02 2 257 . 26 TYR HD1 H 6.66 0.02 1 258 . 26 TYR HD2 H 6.66 0.02 1 259 . 26 TYR HE1 H 6.71 0.02 1 260 . 26 TYR HE2 H 6.71 0.02 1 261 . 26 TYR C C 174.3 0.05 1 262 . 27 PHE N N 115.7 0.02 1 263 . 27 PHE H H 9.11 0.02 1 264 . 27 PHE CA C 57.6 0.05 1 265 . 27 PHE HA H 5.04 0.02 1 266 . 27 PHE CB C 41.8 0.05 1 267 . 27 PHE HB2 H 2.64 0.02 2 268 . 27 PHE HB3 H 2.52 0.02 2 269 . 27 PHE HD1 H 6.77 0.02 1 270 . 27 PHE HD2 H 6.77 0.02 1 271 . 27 PHE HE1 H 6.96 0.02 1 272 . 27 PHE HE2 H 6.96 0.02 1 273 . 27 PHE HZ H 6.75 0.02 1 274 . 27 PHE C C 174.5 0.05 1 275 . 28 ILE N N 125.0 0.02 1 276 . 28 ILE H H 9.06 0.02 1 277 . 28 ILE CA C 59.8 0.05 1 278 . 28 ILE HA H 4.57 0.02 1 279 . 28 ILE CB C 38.1 0.05 1 280 . 28 ILE HB H 1.95 0.02 1 281 . 28 ILE HG2 H 0.77 0.02 1 282 . 28 ILE CG2 C 17.4 0.05 1 283 . 28 ILE CG1 C 28.7 0.05 1 284 . 28 ILE HG12 H 1.46 0.02 2 285 . 28 ILE HG13 H 1.34 0.02 2 286 . 28 ILE HD1 H 0.67 0.02 1 287 . 28 ILE CD1 C 11.8 0.05 1 288 . 28 ILE C C 175.3 0.05 1 289 . 29 ILE N N 127.1 0.02 1 290 . 29 ILE H H 9.34 0.02 1 291 . 29 ILE CA C 59.8 0.05 1 292 . 29 ILE HA H 5.06 0.02 1 293 . 29 ILE CB C 38.2 0.05 1 294 . 29 ILE HB H 1.91 0.02 1 295 . 29 ILE HG2 H 0.70 0.02 1 296 . 29 ILE CG2 C 17.7 0.05 1 297 . 29 ILE CG1 C 27.3 0.05 1 298 . 29 ILE HG12 H 1.49 0.02 2 299 . 29 ILE HG13 H 0.89 0.02 2 300 . 29 ILE HD1 H 0.67 0.02 1 301 . 29 ILE CD1 C 13.6 0.05 1 302 . 29 ILE C C 174.7 0.05 1 303 . 30 TYR N N 130.6 0.02 1 304 . 30 TYR H H 9.60 0.02 1 305 . 30 TYR CA C 56.1 0.05 1 306 . 30 TYR HA H 5.16 0.02 1 307 . 30 TYR CB C 42.3 0.05 1 308 . 30 TYR HB2 H 2.61 0.02 2 309 . 30 TYR HB3 H 2.50 0.02 2 310 . 30 TYR HD1 H 6.69 0.02 1 311 . 30 TYR HD2 H 6.69 0.02 1 312 . 30 TYR HE1 H 6.64 0.02 1 313 . 30 TYR HE2 H 6.64 0.02 1 314 . 30 TYR C C 173.1 0.05 1 315 . 31 ASP N N 127.7 0.02 1 316 . 31 ASP H H 7.58 0.02 1 317 . 31 ASP CA C 52.0 0.05 1 318 . 31 ASP HA H 5.23 0.02 1 319 . 31 ASP CB C 42.9 0.05 1 320 . 31 ASP HB2 H 2.92 0.02 2 321 . 31 ASP HB3 H 2.31 0.02 2 322 . 31 ASP C C 176.5 0.05 1 323 . 32 THR N N 114.8 0.02 1 324 . 32 THR H H 9.04 0.02 1 325 . 32 THR CA C 63.9 0.05 1 326 . 32 THR HA H 3.91 0.02 1 327 . 32 THR CB C 68.6 0.05 1 328 . 32 THR HB H 4.54 0.02 1 329 . 32 THR HG2 H 1.47 0.02 1 330 . 32 THR CG2 C 21.6 0.05 1 331 . 32 THR C C 176.2 0.05 1 332 . 33 GLU N N 120.5 0.02 1 333 . 33 GLU H H 8.43 0.02 1 334 . 33 GLU CA C 57.9 0.05 1 335 . 33 GLU HA H 4.30 0.02 1 336 . 33 GLU CB C 29.9 0.05 1 337 . 33 GLU HB2 H 2.04 0.02 1 338 . 33 GLU HB3 H 2.04 0.02 1 339 . 33 GLU CG C 36.7 0.05 1 340 . 33 GLU HG2 H 2.24 0.02 2 341 . 33 GLU HG3 H 2.14 0.02 2 342 . 33 GLU C C 177.1 0.05 1 343 . 34 SER N N 111.5 0.02 1 344 . 34 SER H H 7.61 0.02 1 345 . 34 SER CA C 58.0 0.05 1 346 . 34 SER HA H 4.46 0.02 1 347 . 34 SER CB C 65.3 0.05 1 348 . 34 SER HB2 H 3.92 0.02 2 349 . 34 SER HB3 H 3.71 0.02 2 350 . 34 SER C C 175.9 0.05 1 351 . 35 GLY N N 112.8 0.02 1 352 . 35 GLY H H 8.34 0.02 1 353 . 35 GLY CA C 45.4 0.05 1 354 . 35 GLY HA2 H 4.11 0.02 2 355 . 35 GLY HA3 H 3.57 0.02 2 356 . 35 GLY C C 173.3 0.05 1 357 . 36 ASN N N 117.5 0.02 1 358 . 36 ASN H H 7.58 0.02 1 359 . 36 ASN CA C 53.9 0.05 1 360 . 36 ASN HA H 4.54 0.02 1 361 . 36 ASN CB C 39.8 0.05 1 362 . 36 ASN HB2 H 2.65 0.02 2 363 . 36 ASN HB3 H 2.57 0.02 2 364 . 36 ASN C C 174.0 0.05 1 365 . 37 VAL N N 120.2 0.02 1 366 . 37 VAL H H 8.06 0.02 1 367 . 37 VAL CA C 60.7 0.05 1 368 . 37 VAL HA H 5.04 0.02 1 369 . 37 VAL CB C 35.2 0.05 1 370 . 37 VAL HB H 1.94 0.02 1 371 . 37 VAL HG1 H 0.89 0.02 2 372 . 37 VAL HG2 H 1.07 0.02 2 373 . 37 VAL CG1 C 22.0 0.05 1 374 . 37 VAL CG2 C 21.7 0.05 1 375 . 37 VAL C C 175.4 0.05 1 376 . 38 GLU N N 127.5 0.02 1 377 . 38 GLU H H 9.10 0.02 1 378 . 38 GLU CA C 54.6 0.05 1 379 . 38 GLU HA H 4.67 0.02 1 380 . 38 GLU CB C 33.3 0.05 1 381 . 38 GLU HB2 H 1.95 0.02 2 382 . 38 GLU HB3 H 1.90 0.02 2 383 . 38 GLU CG C 36.3 0.05 1 384 . 38 GLU HG2 H 2.23 0.02 2 385 . 38 GLU HG3 H 2.08 0.02 2 386 . 38 GLU C C 174.1 0.05 1 387 . 39 VAL N N 124.2 0.02 1 388 . 39 VAL H H 8.66 0.02 1 389 . 39 VAL CA C 61.9 0.05 1 390 . 39 VAL HA H 4.67 0.02 1 391 . 39 VAL CB C 33.3 0.05 1 392 . 39 VAL HB H 2.00 0.02 1 393 . 39 VAL HG1 H 0.82 0.02 2 394 . 39 VAL HG2 H 0.90 0.02 2 395 . 39 VAL CG1 C 21.8 0.05 1 396 . 39 VAL CG2 C 21.2 0.05 1 397 . 39 VAL C C 175.9 0.05 1 398 . 40 VAL N N 129.4 0.02 1 399 . 40 VAL H H 9.44 0.02 1 400 . 40 VAL CA C 61.0 0.05 1 401 . 40 VAL HA H 4.40 0.02 1 402 . 40 VAL CB C 34.2 0.05 1 403 . 40 VAL HB H 2.26 0.02 1 404 . 40 VAL HG1 H 0.92 0.02 1 405 . 40 VAL HG2 H 0.92 0.02 1 406 . 40 VAL CG1 C 20.6 0.05 1 407 . 40 VAL CG2 C 20.9 0.05 1 408 . 40 VAL C C 175.4 0.05 1 409 . 41 GLU N N 127.9 0.02 1 410 . 41 GLU H H 8.93 0.02 1 411 . 41 GLU CA C 56.5 0.05 1 412 . 41 GLU HA H 4.32 0.02 1 413 . 41 GLU CB C 30.1 0.05 1 414 . 41 GLU HB2 H 2.02 0.02 1 415 . 41 GLU HB3 H 2.02 0.02 1 416 . 41 GLU CG C 36.3 0.05 1 417 . 41 GLU HG2 H 2.22 0.02 2 418 . 41 GLU HG3 H 2.12 0.02 2 419 . 41 GLU C C 175.7 0.05 1 420 . 42 ASN N N 124.7 0.02 1 421 . 42 ASN H H 8.06 0.02 1 422 . 42 ASN CA C 52.1 0.05 1 423 . 42 ASN HA H 4.86 0.02 1 424 . 42 ASN CB C 37.9 0.05 1 425 . 42 ASN HB2 H 3.16 0.02 2 426 . 42 ASN HB3 H 2.07 0.02 2 427 . 42 ASN C C 175.3 0.05 1 428 . 43 THR N N 116.0 0.02 1 429 . 43 THR H H 7.85 0.02 1 430 . 43 THR CA C 61.7 0.05 1 431 . 43 THR HA H 4.26 0.02 1 432 . 43 THR CB C 68.9 0.05 1 433 . 43 THR HB H 4.09 0.02 1 434 . 43 THR HG2 H 1.13 0.02 1 435 . 43 THR CG2 C 21.7 0.05 1 436 . 43 THR C C 174.9 0.05 1 437 . 44 ILE N N 121.9 0.02 1 438 . 44 ILE H H 7.69 0.02 1 439 . 44 ILE CA C 61.4 0.05 1 440 . 44 ILE HA H 4.05 0.02 1 441 . 44 ILE CB C 37.7 0.05 1 442 . 44 ILE HB H 1.89 0.02 1 443 . 44 ILE HG2 H 0.84 0.02 1 444 . 44 ILE CG2 C 18.3 0.05 1 445 . 44 ILE CG1 C 27.7 0.05 1 446 . 44 ILE HG12 H 1.41 0.02 2 447 . 44 ILE HG13 H 1.16 0.02 2 448 . 44 ILE HD1 H 0.80 0.02 1 449 . 44 ILE CD1 C 13.2 0.05 1 450 . 44 ILE C C 175.7 0.05 1 451 . 45 ALA N N 127.3 0.02 1 452 . 45 ALA H H 7.94 0.02 1 453 . 45 ALA CA C 52.6 0.05 1 454 . 45 ALA HA H 4.27 0.02 1 455 . 45 ALA HB H 1.31 0.02 1 456 . 45 ALA CB C 19.5 0.05 1 457 . 45 ALA C C 177.1 0.05 1 458 . 46 ASP N N 118.6 0.02 1 459 . 46 ASP H H 7.89 0.02 1 460 . 46 ASP CA C 54.3 0.05 1 461 . 46 ASP HA H 4.51 0.02 1 462 . 46 ASP CB C 41.4 0.05 1 463 . 46 ASP HB2 H 2.64 0.02 2 464 . 46 ASP HB3 H 2.56 0.02 2 465 . 47 ALA CA C 53.0 0.05 1 466 . 47 ALA HA H 4.19 0.02 1 467 . 47 ALA HB H 1.27 0.02 1 468 . 47 ALA CB C 19.1 0.05 1 469 . 48 HIS CD2 C 120.6 0.05 1 470 . 48 HIS CE1 C 138.5 0.05 1 471 . 48 HIS HD2 H 7.10 0.02 1 472 . 48 HIS HE1 H 8.05 0.02 1 473 . 52 PRO CD C 50.5 0.05 1 474 . 52 PRO CA C 65.5 0.05 1 475 . 52 PRO HA H 4.21 0.02 1 476 . 52 PRO CB C 31.9 0.05 1 477 . 52 PRO HB2 H 2.39 0.02 2 478 . 52 PRO HB3 H 1.90 0.02 2 479 . 52 PRO CG C 28.0 0.05 1 480 . 52 PRO HG2 H 2.12 0.02 2 481 . 52 PRO HG3 H 1.76 0.02 2 482 . 52 PRO HD2 H 3.70 0.02 2 483 . 52 PRO HD3 H 3.52 0.02 2 484 . 53 LYS CA C 58.8 0.05 1 485 . 53 LYS HA H 4.11 0.02 1 486 . 53 LYS CB C 32.1 0.05 1 487 . 53 LYS HB2 H 1.87 0.02 1 488 . 53 LYS HB3 H 1.87 0.02 1 489 . 53 LYS CG C 25.4 0.05 1 490 . 53 LYS HG2 H 1.43 0.02 2 491 . 53 LYS HG3 H 1.54 0.02 2 492 . 53 LYS CD C 29.1 0.05 1 493 . 53 LYS HD2 H 1.67 0.02 1 494 . 53 LYS HD3 H 1.67 0.02 1 495 . 53 LYS CE C 42.2 0.05 1 496 . 53 LYS HE2 H 2.98 0.02 1 497 . 53 LYS HE3 H 2.98 0.02 1 498 . 53 LYS C C 179.3 0.05 1 499 . 54 VAL N N 121.7 0.02 1 500 . 54 VAL H H 8.14 0.02 1 501 . 54 VAL CA C 66.2 0.05 1 502 . 54 VAL HA H 3.54 0.02 1 503 . 54 VAL CB C 31.1 0.05 1 504 . 54 VAL HB H 2.09 0.02 1 505 . 54 VAL HG1 H 0.99 0.02 2 506 . 54 VAL HG2 H 0.41 0.02 2 507 . 54 VAL CG1 C 22.6 0.05 1 508 . 54 VAL CG2 C 21.9 0.05 1 509 . 54 VAL C C 178.5 0.05 1 510 . 55 VAL N N 119.1 0.02 1 511 . 55 VAL H H 8.03 0.02 1 512 . 55 VAL CA C 68.0 0.05 1 513 . 55 VAL HA H 3.30 0.02 1 514 . 55 VAL CB C 31.1 0.05 1 515 . 55 VAL HB H 2.21 0.02 1 516 . 55 VAL HG1 H 0.74 0.02 2 517 . 55 VAL HG2 H 1.14 0.02 2 518 . 55 VAL CG1 C 21.2 0.05 1 519 . 55 VAL CG2 C 23.4 0.05 1 520 . 55 VAL C C 177.4 0.05 1 521 . 56 GLN N N 117.8 0.02 1 522 . 56 GLN H H 7.99 0.02 1 523 . 56 GLN CA C 59.1 0.05 1 524 . 56 GLN HA H 3.90 0.02 1 525 . 56 GLN CB C 27.8 0.05 1 526 . 56 GLN HB2 H 2.13 0.02 1 527 . 56 GLN HB3 H 2.13 0.02 1 528 . 56 GLN CG C 33.7 0.05 1 529 . 56 GLN HG2 H 2.41 0.02 1 530 . 56 GLN HG3 H 2.41 0.02 1 531 . 56 GLN C C 178.8 0.05 1 532 . 57 SER N N 115.9 0.02 1 533 . 57 SER H H 7.80 0.02 1 534 . 57 SER CA C 61.5 0.05 1 535 . 57 SER HA H 4.17 0.02 1 536 . 57 SER CB C 62.8 0.05 1 537 . 57 SER HB2 H 3.94 0.02 2 538 . 57 SER HB3 H 3.87 0.02 2 539 . 57 SER C C 176.3 0.05 1 540 . 58 LEU N N 120.2 0.02 1 541 . 58 LEU H H 7.68 0.02 1 542 . 58 LEU CA C 57.5 0.05 1 543 . 58 LEU HA H 3.88 0.02 1 544 . 58 LEU CB C 40.9 0.05 1 545 . 58 LEU HB2 H 1.87 0.02 2 546 . 58 LEU HB3 H 0.93 0.02 2 547 . 58 LEU CG C 25.7 0.05 1 548 . 58 LEU HG H 1.58 0.02 1 549 . 58 LEU HD1 H 0.29 0.02 2 550 . 58 LEU HD2 H 0.25 0.02 2 551 . 58 LEU CD1 C 25.1 0.05 1 552 . 58 LEU CD2 C 21.0 0.05 1 553 . 58 LEU C C 179.4 0.05 1 554 . 59 VAL N N 120.8 0.02 1 555 . 59 VAL H H 8.57 0.02 1 556 . 59 VAL CA C 66.7 0.05 1 557 . 59 VAL HA H 3.64 0.02 1 558 . 59 VAL CB C 31.5 0.05 1 559 . 59 VAL HB H 2.09 0.02 1 560 . 59 VAL HG1 H 0.86 0.02 2 561 . 59 VAL HG2 H 0.91 0.02 2 562 . 59 VAL CG1 C 22.4 0.05 1 563 . 59 VAL CG2 C 21.0 0.05 1 564 . 59 VAL C C 180.7 0.05 1 565 . 60 SER N N 117.1 0.02 1 566 . 60 SER H H 8.22 0.02 1 567 . 60 SER CA C 61.4 0.05 1 568 . 60 SER HA H 4.31 0.02 1 569 . 60 SER CB C 62.9 0.05 1 570 . 60 SER HB2 H 4.02 0.02 1 571 . 60 SER HB3 H 4.02 0.02 1 572 . 60 SER C C 175.2 0.05 1 573 . 61 LYS N N 119.9 0.02 1 574 . 61 LYS H H 7.24 0.02 1 575 . 61 LYS CA C 55.6 0.05 1 576 . 61 LYS HA H 4.41 0.02 1 577 . 61 LYS CB C 32.6 0.05 1 578 . 61 LYS HB2 H 2.00 0.02 2 579 . 61 LYS HB3 H 1.78 0.02 2 580 . 61 LYS CG C 28.8 0.05 1 581 . 61 LYS HG2 H 1.61 0.02 2 582 . 61 LYS HG3 H 1.48 0.02 2 583 . 61 LYS CD C 25.0 0.05 1 584 . 61 LYS HD2 H 1.46 0.02 1 585 . 61 LYS HD3 H 1.46 0.02 1 586 . 61 LYS CE C 42.2 0.05 1 587 . 61 LYS HE2 H 2.89 0.02 1 588 . 61 LYS HE3 H 2.89 0.02 1 589 . 61 LYS C C 176.4 0.05 1 590 . 62 GLY N N 107.4 0.02 1 591 . 62 GLY H H 8.01 0.02 1 592 . 62 GLY CA C 46.0 0.05 1 593 . 62 GLY HA2 H 4.00 0.02 2 594 . 62 GLY HA3 H 3.84 0.02 2 595 . 62 GLY C C 174.4 0.05 1 596 . 63 VAL N N 118.1 0.02 1 597 . 63 VAL H H 7.10 0.02 1 598 . 63 VAL CA C 64.6 0.05 1 599 . 63 VAL HA H 3.46 0.02 1 600 . 63 VAL CB C 32.1 0.05 1 601 . 63 VAL HB H 1.57 0.02 1 602 . 63 VAL HG1 H 0.89 0.02 2 603 . 63 VAL HG2 H 0.83 0.02 2 604 . 63 VAL CG1 C 22.2 0.05 1 605 . 63 VAL CG2 C 24.1 0.05 1 606 . 63 VAL C C 174.6 0.05 1 607 . 64 GLU N N 124.1 0.02 1 608 . 64 GLU H H 8.21 0.02 1 609 . 64 GLU CA C 56.6 0.05 1 610 . 64 GLU HA H 4.34 0.02 1 611 . 64 GLU CB C 33.9 0.05 1 612 . 64 GLU HB2 H 1.96 0.02 2 613 . 64 GLU HB3 H 1.80 0.02 2 614 . 64 GLU CG C 37.2 0.05 1 615 . 64 GLU HG2 H 2.31 0.02 2 616 . 64 GLU HG3 H 2.11 0.02 2 617 . 64 GLU C C 175.1 0.05 1 618 . 65 TYR N N 116.6 0.02 1 619 . 65 TYR H H 7.70 0.02 1 620 . 65 TYR CA C 55.9 0.05 1 621 . 65 TYR HA H 5.61 0.02 1 622 . 65 TYR CB C 43.5 0.05 1 623 . 65 TYR HB2 H 2.80 0.02 2 624 . 65 TYR HB3 H 2.56 0.02 2 625 . 65 TYR HD1 H 7.17 0.02 1 626 . 65 TYR HD2 H 7.17 0.02 1 627 . 65 TYR HE1 H 6.96 0.02 1 628 . 65 TYR HE2 H 6.96 0.02 1 629 . 65 TYR C C 172.9 0.05 1 630 . 66 LEU N N 124.4 0.02 1 631 . 66 LEU H H 9.13 0.02 1 632 . 66 LEU CA C 52.7 0.05 1 633 . 66 LEU HA H 5.38 0.02 1 634 . 66 LEU CB C 46.8 0.05 1 635 . 66 LEU HB2 H 1.73 0.02 2 636 . 66 LEU HB3 H 1.08 0.02 2 637 . 66 LEU CG C 28.0 0.05 1 638 . 66 LEU HG H 1.58 0.02 1 639 . 66 LEU HD1 H 1.09 0.02 2 640 . 66 LEU HD2 H 0.64 0.02 2 641 . 66 LEU CD1 C 24.4 0.05 1 642 . 66 LEU CD2 C 27.9 0.05 1 643 . 66 LEU C C 174.1 0.05 1 644 . 67 ILE N N 128.0 0.02 1 645 . 67 ILE H H 8.67 0.02 1 646 . 67 ILE CA C 60.1 0.05 1 647 . 67 ILE HA H 4.94 0.02 1 648 . 67 ILE CB C 39.0 0.05 1 649 . 67 ILE HB H 1.71 0.02 1 650 . 67 ILE HG2 H 0.74 0.02 1 651 . 67 ILE CG2 C 19.5 0.05 1 652 . 67 ILE CG1 C 26.4 0.05 1 653 . 67 ILE HG12 H 1.23 0.02 2 654 . 67 ILE HG13 H 0.67 0.02 2 655 . 67 ILE HD1 H 0.33 0.02 1 656 . 67 ILE CD1 C 14.2 0.05 1 657 . 67 ILE C C 173.3 0.05 1 658 . 68 ALA N N 123.1 0.02 1 659 . 68 ALA H H 8.83 0.02 1 660 . 68 ALA CA C 50.5 0.05 1 661 . 68 ALA HA H 4.84 0.02 1 662 . 68 ALA HB H 1.23 0.02 1 663 . 68 ALA CB C 22.6 0.05 1 664 . 68 ALA C C 175.7 0.05 1 665 . 69 SER N N 114.1 0.02 1 666 . 69 SER H H 8.73 0.02 1 667 . 69 SER CA C 59.4 0.05 1 668 . 69 SER HA H 4.88 0.02 1 669 . 69 SER CB C 64.4 0.05 1 670 . 69 SER HB2 H 4.00 0.02 2 671 . 69 SER HB3 H 3.88 0.02 2 672 . 69 SER C C 174.2 0.05 1 673 . 70 ASN N N 117.1 0.02 1 674 . 70 ASN H H 7.78 0.02 1 675 . 70 ASN CA C 53.1 0.05 1 676 . 70 ASN HA H 4.92 0.02 1 677 . 70 ASN CB C 42.7 0.05 1 678 . 70 ASN HB2 H 2.70 0.02 2 679 . 70 ASN HB3 H 2.60 0.02 2 680 . 70 ASN C C 173.0 0.05 1 681 . 71 VAL N N 116.7 0.02 1 682 . 71 VAL H H 7.84 0.02 1 683 . 71 VAL CA C 62.0 0.05 1 684 . 71 VAL HA H 4.09 0.02 1 685 . 71 VAL CB C 34.9 0.05 1 686 . 71 VAL HB H 1.83 0.02 1 687 . 71 VAL HG1 H 0.71 0.02 2 688 . 71 VAL HG2 H 0.58 0.02 2 689 . 71 VAL CG1 C 21.7 0.05 1 690 . 71 VAL CG2 C 21.7 0.05 1 691 . 71 VAL C C 174.3 0.05 1 692 . 72 GLY N N 114.0 0.02 1 693 . 72 GLY H H 8.75 0.02 1 694 . 72 GLY CA C 44.7 0.05 1 695 . 72 GLY HA2 H 4.54 0.02 2 696 . 72 GLY HA3 H 3.90 0.02 2 697 . 72 GLY C C 176.2 0.05 1 698 . 73 ARG N N 120.2 0.02 1 699 . 73 ARG H H 8.43 0.02 1 700 . 73 ARG CA C 57.9 0.05 1 701 . 73 ARG HA H 4.30 0.02 1 702 . 73 ARG CB C 29.9 0.05 1 703 . 73 ARG HB2 H 2.24 0.02 2 704 . 73 ARG HB3 H 2.04 0.02 2 705 . 73 ARG CG C 29.4 0.05 1 706 . 73 ARG HG2 H 2.14 0.02 1 707 . 73 ARG HG3 H 2.14 0.02 1 708 . 75 ALA CA C 55.3 0.05 1 709 . 75 ALA HA H 3.81 0.02 1 710 . 75 ALA HB H 1.30 0.02 1 711 . 75 ALA CB C 18.5 0.05 1 712 . 75 ALA C C 178.0 0.05 1 713 . 76 PHE N N 119.3 0.02 1 714 . 76 PHE H H 8.85 0.02 1 715 . 76 PHE CA C 62.8 0.05 1 716 . 76 PHE HA H 3.75 0.02 1 717 . 76 PHE CB C 40.2 0.05 1 718 . 76 PHE HB2 H 3.15 0.02 2 719 . 76 PHE HB3 H 3.01 0.02 2 720 . 76 PHE HD1 H 6.97 0.02 1 721 . 76 PHE HD2 H 6.97 0.02 1 722 . 76 PHE HE1 H 7.16 0.02 1 723 . 76 PHE HE2 H 7.16 0.02 1 724 . 76 PHE HZ H 7.07 0.02 1 725 . 76 PHE C C 176.9 0.05 1 726 . 77 GLU N N 116.8 0.02 1 727 . 77 GLU H H 8.57 0.02 1 728 . 77 GLU CA C 59.6 0.05 1 729 . 77 GLU HA H 3.84 0.02 1 730 . 77 GLU CB C 29.4 0.05 1 731 . 77 GLU HB2 H 2.14 0.02 2 732 . 77 GLU HB3 H 2.06 0.02 2 733 . 77 GLU CG C 36.8 0.05 1 734 . 77 GLU HG2 H 2.58 0.02 2 735 . 77 GLU HG3 H 2.39 0.02 2 736 . 77 GLU C C 179.8 0.05 1 737 . 78 THR N N 116.6 0.02 1 738 . 78 THR H H 7.70 0.02 1 739 . 78 THR CA C 66.7 0.05 1 740 . 78 THR HA H 3.91 0.02 1 741 . 78 THR CB C 68.4 0.05 1 742 . 78 THR HB H 4.16 0.02 1 743 . 78 THR HG2 H 1.23 0.02 1 744 . 78 THR CG2 C 21.8 0.05 1 745 . 78 THR C C 176.6 0.05 1 746 . 79 LEU N N 124.4 0.02 1 747 . 79 LEU H H 8.37 0.02 1 748 . 79 LEU CA C 58.4 0.05 1 749 . 79 LEU HA H 3.55 0.02 1 750 . 79 LEU CB C 40.9 0.05 1 751 . 79 LEU HB2 H 1.73 0.02 2 752 . 79 LEU HB3 H 0.97 0.02 2 753 . 79 LEU CG C 26.0 0.05 1 754 . 79 LEU HG H 1.59 0.02 1 755 . 79 LEU HD1 H 0.36 0.02 2 756 . 79 LEU HD2 H 0.57 0.02 2 757 . 79 LEU CD1 C 26.2 0.05 1 758 . 79 LEU CD2 C 24.1 0.05 1 759 . 79 LEU C C 178.0 0.05 1 760 . 80 LYS N N 118.7 0.02 1 761 . 80 LYS H H 8.11 0.02 1 762 . 80 LYS CA C 58.4 0.05 1 763 . 80 LYS HA H 3.86 0.02 1 764 . 80 LYS CB C 30.9 0.05 1 765 . 80 LYS HB2 H 1.58 0.02 2 766 . 80 LYS HB3 H 1.48 0.02 2 767 . 80 LYS CG C 23.5 0.05 1 768 . 80 LYS HG2 H 1.16 0.02 2 769 . 80 LYS HG3 H 1.05 0.02 2 770 . 80 LYS CD C 28.4 0.05 1 771 . 80 LYS HD2 H 1.51 0.02 1 772 . 80 LYS HD3 H 1.51 0.02 1 773 . 80 LYS CE C 41.6 0.05 1 774 . 80 LYS HE2 H 2.91 0.02 2 775 . 80 LYS HE3 H 2.86 0.02 2 776 . 80 LYS C C 181.0 0.05 1 777 . 81 ALA N N 122.5 0.02 1 778 . 81 ALA H H 7.76 0.02 1 779 . 81 ALA CA C 54.4 0.05 1 780 . 81 ALA HA H 4.08 0.02 1 781 . 81 ALA HB H 1.46 0.02 1 782 . 81 ALA CB C 17.8 0.05 1 783 . 81 ALA C C 178.6 0.05 1 784 . 82 ALA N N 118.2 0.02 1 785 . 82 ALA H H 7.37 0.02 1 786 . 82 ALA CA C 51.8 0.05 1 787 . 82 ALA HA H 4.34 0.02 1 788 . 82 ALA HB H 1.41 0.02 1 789 . 82 ALA CB C 19.3 0.05 1 790 . 82 ALA C C 177.3 0.05 1 791 . 83 GLY N N 106.6 0.02 1 792 . 83 GLY H H 7.70 0.02 1 793 . 83 GLY CA C 45.6 0.05 1 794 . 83 GLY HA2 H 4.06 0.02 2 795 . 83 GLY HA3 H 3.66 0.02 2 796 . 83 GLY C C 174.2 0.05 1 797 . 84 VAL N N 122.2 0.02 1 798 . 84 VAL H H 7.67 0.02 1 799 . 84 VAL CA C 61.9 0.05 1 800 . 84 VAL HA H 3.69 0.02 1 801 . 84 VAL CB C 31.9 0.05 1 802 . 84 VAL HB H 1.57 0.02 1 803 . 84 VAL HG1 H 0.46 0.02 2 804 . 84 VAL HG2 H 0.63 0.02 2 805 . 84 VAL CG1 C 21.5 0.05 1 806 . 84 VAL CG2 C 21.3 0.05 1 807 . 84 VAL C C 175.1 0.05 1 808 . 85 LYS N N 127.5 0.02 1 809 . 85 LYS H H 7.39 0.02 1 810 . 85 LYS CA C 56.2 0.05 1 811 . 85 LYS HA H 4.27 0.02 1 812 . 85 LYS CB C 34.2 0.05 1 813 . 85 LYS HB2 H 1.86 0.02 1 814 . 85 LYS HB3 H 1.86 0.02 1 815 . 85 LYS CG C 25.6 0.05 1 816 . 85 LYS HG2 H 1.51 0.02 2 817 . 85 LYS HG3 H 1.37 0.02 2 818 . 85 LYS CD C 29.2 0.05 1 819 . 85 LYS HD2 H 1.75 0.02 1 820 . 85 LYS HD3 H 1.75 0.02 1 821 . 85 LYS CE C 42.2 0.05 1 822 . 85 LYS HE2 H 2.99 0.02 1 823 . 85 LYS HE3 H 2.99 0.02 1 824 . 85 LYS C C 174.8 0.05 1 825 . 86 VAL N N 123.8 0.02 1 826 . 86 VAL H H 8.51 0.02 1 827 . 86 VAL CA C 60.5 0.05 1 828 . 86 VAL HA H 5.20 0.02 1 829 . 86 VAL CB C 33.2 0.05 1 830 . 86 VAL HB H 2.11 0.02 1 831 . 86 VAL HG1 H 0.93 0.02 2 832 . 86 VAL HG2 H 0.78 0.02 2 833 . 86 VAL CG1 C 22.8 0.05 1 834 . 86 VAL CG2 C 22.2 0.05 1 835 . 86 VAL C C 174.5 0.05 1 836 . 87 TYR N N 127.2 0.02 1 837 . 87 TYR H H 9.51 0.02 1 838 . 87 TYR CA C 57.4 0.05 1 839 . 87 TYR HA H 4.94 0.02 1 840 . 87 TYR CB C 42.1 0.05 1 841 . 87 TYR HB2 H 2.97 0.02 2 842 . 87 TYR HB3 H 2.70 0.02 2 843 . 87 TYR HD1 H 6.96 0.02 1 844 . 87 TYR HD2 H 6.96 0.02 1 845 . 87 TYR HE1 H 6.88 0.02 1 846 . 87 TYR HE2 H 6.88 0.02 1 847 . 87 TYR C C 173.9 0.05 1 848 . 88 ARG N N 121.6 0.02 1 849 . 88 ARG H H 8.67 0.02 1 850 . 88 ARG CA C 55.2 0.05 1 851 . 88 ARG HA H 5.19 0.02 1 852 . 88 ARG CB C 32.2 0.05 1 853 . 88 ARG HB2 H 1.94 0.02 2 854 . 88 ARG HB3 H 1.62 0.02 2 855 . 88 ARG CG C 28.0 0.05 1 856 . 88 ARG HG2 H 1.58 0.02 2 857 . 88 ARG HG3 H 1.69 0.02 2 858 . 88 ARG CD C 43.6 0.05 1 859 . 88 ARG HD2 H 3.20 0.02 1 860 . 88 ARG HD3 H 3.20 0.02 1 861 . 88 ARG C C 175.4 0.05 1 862 . 89 PHE N N 125.7 0.02 1 863 . 89 PHE H H 8.08 0.02 1 864 . 89 PHE CA C 56.6 0.05 1 865 . 89 PHE HA H 4.89 0.02 1 866 . 89 PHE CB C 43.8 0.05 1 867 . 89 PHE HB2 H 3.04 0.02 2 868 . 89 PHE HB3 H 2.42 0.02 2 869 . 89 PHE HD1 H 7.11 0.02 1 870 . 89 PHE HD2 H 7.11 0.02 1 871 . 89 PHE HE1 H 7.39 0.02 1 872 . 89 PHE HE2 H 7.39 0.02 1 873 . 89 PHE HZ H 6.95 0.02 1 874 . 89 PHE C C 174.2 0.05 1 875 . 90 GLU N N 125.2 0.02 1 876 . 90 GLU H H 8.21 0.02 1 877 . 90 GLU CA C 56.7 0.05 1 878 . 90 GLU HA H 4.12 0.02 1 879 . 90 GLU CB C 31.2 0.05 1 880 . 90 GLU HB2 H 1.92 0.02 2 881 . 90 GLU HB3 H 1.78 0.02 2 882 . 90 GLU CG C 36.0 0.05 1 883 . 90 GLU HG2 H 2.08 0.02 1 884 . 90 GLU HG3 H 2.08 0.02 1 885 . 90 GLU C C 175.7 0.05 1 886 . 91 GLY N N 105.1 0.02 1 887 . 91 GLY H H 6.40 0.02 1 888 . 91 GLY CA C 45.7 0.05 1 889 . 91 GLY HA2 H 4.04 0.02 2 890 . 91 GLY HA3 H 3.54 0.02 2 891 . 91 GLY C C 172.5 0.05 1 892 . 92 GLY N N 108.1 0.02 1 893 . 92 GLY H H 7.72 0.02 1 894 . 92 GLY CA C 44.5 0.05 1 895 . 92 GLY HA2 H 4.49 0.02 2 896 . 92 GLY HA3 H 4.21 0.02 2 897 . 92 GLY C C 172.4 0.05 1 898 . 93 THR N N 111.5 0.02 1 899 . 93 THR H H 8.88 0.02 1 900 . 93 THR CA C 61.0 0.05 1 901 . 93 THR HA H 4.98 0.02 1 902 . 93 THR CB C 71.9 0.05 1 903 . 93 THR HB H 4.53 0.02 1 904 . 93 THR HG2 H 1.21 0.02 1 905 . 93 THR CG2 C 22.4 0.05 1 906 . 93 THR C C 175.6 0.05 1 907 . 94 VAL N N 121.3 0.02 1 908 . 94 VAL H H 8.72 0.02 1 909 . 94 VAL CA C 67.1 0.05 1 910 . 94 VAL HA H 3.25 0.02 1 911 . 94 VAL CB C 31.0 0.05 1 912 . 94 VAL HB H 2.23 0.02 1 913 . 94 VAL HG1 H 0.81 0.02 2 914 . 94 VAL HG2 H 0.94 0.02 2 915 . 94 VAL CG1 C 22.1 0.05 1 916 . 94 VAL CG2 C 22.0 0.05 1 917 . 94 VAL C C 178.0 0.05 1 918 . 95 GLN N N 117.7 0.02 1 919 . 95 GLN H H 8.43 0.02 1 920 . 95 GLN CA C 58.4 0.05 1 921 . 95 GLN HA H 3.60 0.02 1 922 . 95 GLN CB C 28.8 0.05 1 923 . 95 GLN HB2 H 2.02 0.02 2 924 . 95 GLN HB3 H 1.77 0.02 2 925 . 95 GLN CG C 33.2 0.05 1 926 . 95 GLN HG2 H 2.13 0.02 1 927 . 95 GLN HG3 H 2.13 0.02 1 928 . 95 GLN C C 177.3 0.05 1 929 . 96 GLU N N 118.6 0.02 1 930 . 96 GLU H H 7.71 0.02 1 931 . 96 GLU CA C 59.4 0.05 1 932 . 96 GLU HA H 3.95 0.02 1 933 . 96 GLU CB C 29.6 0.05 1 934 . 96 GLU HB2 H 2.56 0.02 2 935 . 96 GLU HB3 H 2.08 0.02 2 936 . 96 GLU CG C 37.9 0.05 1 937 . 96 GLU HG2 H 2.42 0.02 2 938 . 96 GLU HG3 H 2.34 0.02 2 939 . 96 GLU C C 179.4 0.05 1 940 . 97 ALA N N 124.6 0.02 1 941 . 97 ALA H H 7.85 0.02 1 942 . 97 ALA CA C 55.3 0.05 1 943 . 97 ALA HA H 2.91 0.02 1 944 . 97 ALA HB H 0.68 0.02 1 945 . 97 ALA CB C 17.2 0.05 1 946 . 97 ALA C C 178.7 0.05 1 947 . 98 ILE N N 118.7 0.02 1 948 . 98 ILE H H 7.97 0.02 1 949 . 98 ILE CA C 65.6 0.05 1 950 . 98 ILE HA H 3.12 0.02 1 951 . 98 ILE CB C 37.9 0.05 1 952 . 98 ILE HB H 1.52 0.02 1 953 . 98 ILE HG2 H 0.28 0.02 1 954 . 98 ILE CG2 C 16.9 0.05 1 955 . 98 ILE CG1 C 29.4 0.05 1 956 . 98 ILE HG12 H 1.35 0.02 2 957 . 98 ILE HG13 H 0.15 0.02 2 958 . 98 ILE HD1 H 0.06 0.02 1 959 . 98 ILE CD1 C 13.7 0.05 1 960 . 98 ILE C C 178.9 0.05 1 961 . 99 ASP N N 123.0 0.02 1 962 . 99 ASP H H 8.62 0.02 1 963 . 99 ASP CA C 57.7 0.05 1 964 . 99 ASP HA H 4.26 0.02 1 965 . 99 ASP CB C 39.7 0.05 1 966 . 99 ASP HB2 H 2.62 0.02 2 967 . 99 ASP HB3 H 2.56 0.02 2 968 . 99 ASP C C 178.2 0.05 1 969 . 100 ALA N N 121.7 0.02 1 970 . 100 ALA H H 8.04 0.02 1 971 . 100 ALA CA C 55.5 0.05 1 972 . 100 ALA HA H 3.92 0.02 1 973 . 100 ALA HB H 1.43 0.02 1 974 . 100 ALA CB C 18.5 0.05 1 975 . 100 ALA C C 179.9 0.05 1 976 . 101 PHE N N 119.4 0.02 1 977 . 101 PHE H H 8.45 0.02 1 978 . 101 PHE CA C 60.8 0.05 1 979 . 101 PHE HA H 3.89 0.02 1 980 . 101 PHE CB C 39.4 0.05 1 981 . 101 PHE HB2 H 3.09 0.02 2 982 . 101 PHE HB3 H 2.95 0.02 2 983 . 101 PHE HD1 H 6.64 0.02 1 984 . 101 PHE HD2 H 6.64 0.02 1 985 . 101 PHE HE1 H 6.53 0.02 1 986 . 101 PHE HE2 H 6.53 0.02 1 987 . 101 PHE HZ H 5.95 0.02 1 988 . 101 PHE C C 179.6 0.05 1 989 . 102 SER N N 118.0 0.02 1 990 . 102 SER H H 8.82 0.02 1 991 . 102 SER CA C 61.7 0.05 1 992 . 102 SER HA H 4.12 0.02 1 993 . 102 SER CB C 62.9 0.05 1 994 . 102 SER HB2 H 3.95 0.02 2 995 . 102 SER HB3 H 3.89 0.02 2 996 . 102 SER C C 175.3 0.05 1 997 . 103 GLU N N 118.1 0.02 1 998 . 103 GLU H H 7.62 0.02 1 999 . 103 GLU CA C 56.0 0.05 1 1000 . 103 GLU HA H 4.22 0.02 1 1001 . 103 GLU CB C 30.4 0.05 1 1002 . 103 GLU HB2 H 2.19 0.02 2 1003 . 103 GLU HB3 H 1.87 0.02 2 1004 . 103 GLU CG C 36.3 0.05 1 1005 . 103 GLU HG2 H 2.46 0.02 2 1006 . 103 GLU HG3 H 2.26 0.02 2 1007 . 104 GLY N N 108.5 0.02 1 1008 . 104 GLY H H 7.61 0.02 1 1009 . 104 GLY CA C 46.6 0.05 1 1010 . 104 GLY HA2 H 3.89 0.02 2 1011 . 104 GLY HA3 H 3.79 0.02 2 1012 . 104 GLY C C 176.0 0.05 1 1013 . 105 ARG N N 115.4 0.02 1 1014 . 105 ARG H H 7.93 0.02 1 1015 . 105 ARG CA C 56.1 0.05 1 1016 . 105 ARG HA H 4.42 0.02 1 1017 . 105 ARG CB C 31.4 0.05 1 1018 . 105 ARG HB2 H 2.03 0.02 2 1019 . 105 ARG HB3 H 1.69 0.02 2 1020 . 105 ARG CG C 28.1 0.05 1 1021 . 105 ARG HG2 H 1.60 0.02 2 1022 . 105 ARG HG3 H 1.55 0.02 2 1023 . 105 ARG CD C 43.4 0.05 1 1024 . 105 ARG HD2 H 3.28 0.02 2 1025 . 105 ARG HD3 H 3.24 0.02 2 1026 . 105 ARG HE H 7.07 0.02 1 1027 . 105 ARG C C 176.2 0.05 1 1028 . 106 LEU N N 117.7 0.02 1 1029 . 106 LEU H H 7.75 0.02 1 1030 . 106 LEU CA C 53.7 0.05 1 1031 . 106 LEU HA H 4.89 0.02 1 1032 . 106 LEU CB C 42.8 0.05 1 1033 . 106 LEU HB2 H 1.89 0.02 2 1034 . 106 LEU HB3 H 1.84 0.02 2 1035 . 106 LEU CG C 26.9 0.05 1 1036 . 106 LEU HG H 1.37 0.02 1 1037 . 106 LEU HD1 H 0.95 0.02 2 1038 . 106 LEU HD2 H 1.24 0.02 2 1039 . 106 LEU CD1 C 27.0 0.05 1 1040 . 106 LEU CD2 C 22.8 0.05 1 1041 . 106 LEU C C 176.6 0.05 1 1042 . 107 GLU N N 122.7 0.02 1 1043 . 107 GLU H H 9.15 0.02 1 1044 . 107 GLU CA C 54.8 0.05 1 1045 . 107 GLU HA H 4.57 0.02 1 1046 . 107 GLU CB C 31.8 0.05 1 1047 . 107 GLU HB2 H 2.11 0.02 2 1048 . 107 GLU HB3 H 2.02 0.02 2 1049 . 107 GLU CG C 36.3 0.05 1 1050 . 107 GLU HG2 H 2.35 0.02 1 1051 . 107 GLU HG3 H 2.35 0.02 1 1052 . 107 GLU C C 175.9 0.05 1 1053 . 108 GLU N N 123.8 0.02 1 1054 . 108 GLU H H 8.66 0.02 1 1055 . 108 GLU CA C 56.7 0.05 1 1056 . 108 GLU HA H 3.99 0.02 1 1057 . 108 GLU CB C 30.2 0.05 1 1058 . 108 GLU HB2 H 1.81 0.02 2 1059 . 108 GLU HB3 H 1.76 0.02 2 1060 . 108 GLU CG C 36.6 0.05 1 1061 . 108 GLU HG2 H 2.06 0.02 2 1062 . 108 GLU HG3 H 1.84 0.02 2 1063 . 108 GLU C C 176.5 0.05 1 1064 . 109 LEU N N 128.4 0.02 1 1065 . 109 LEU H H 8.96 0.02 1 1066 . 109 LEU CA C 54.6 0.05 1 1067 . 109 LEU HA H 4.47 0.02 1 1068 . 109 LEU CB C 42.7 0.05 1 1069 . 109 LEU HB2 H 1.76 0.02 2 1070 . 109 LEU HB3 H 1.18 0.02 2 1071 . 109 LEU CG C 27.1 0.05 1 1072 . 109 LEU HG H 1.62 0.02 1 1073 . 109 LEU HD1 H 0.89 0.02 2 1074 . 109 LEU HD2 H 0.77 0.02 2 1075 . 109 LEU CD1 C 25.0 0.05 1 1076 . 109 LEU CD2 C 25.6 0.05 1 1077 . 109 LEU C C 176.4 0.05 1 1078 . 110 THR N N 115.1 0.02 1 1079 . 110 THR H H 8.43 0.02 1 1080 . 110 THR CA C 62.0 0.05 1 1081 . 110 THR HA H 4.45 0.02 1 1082 . 110 THR CB C 69.5 0.05 1 1083 . 110 THR HB H 4.32 0.02 1 1084 . 110 THR HG2 H 1.12 0.02 1 1085 . 110 THR CG2 C 21.7 0.05 1 1086 . 110 THR C C 174.0 0.05 1 1087 . 111 THR N N 114.7 0.02 1 1088 . 111 THR H H 7.16 0.02 1 1089 . 111 THR CA C 59.3 0.05 1 1090 . 111 THR HA H 3.85 0.02 1 1091 . 111 THR CB C 69.5 0.05 1 1092 . 111 THR HB H 3.73 0.02 1 1093 . 111 THR HG2 H 0.85 0.02 1 1094 . 111 THR CG2 C 19.0 0.05 1 1095 . 111 THR C C 170.9 0.05 1 1096 . 112 PHE N N 116.9 0.02 1 1097 . 112 PHE H H 6.69 0.02 1 1098 . 112 PHE CA C 55.5 0.05 1 1099 . 112 PHE HA H 4.26 0.02 1 1100 . 112 PHE CB C 39.4 0.05 1 1101 . 112 PHE HB2 H 3.21 0.02 2 1102 . 112 PHE HB3 H 2.53 0.02 2 1103 . 112 PHE HD1 H 7.01 0.02 1 1104 . 112 PHE HD2 H 7.01 0.02 1 1105 . 112 PHE HE1 H 7.28 0.02 1 1106 . 112 PHE HE2 H 7.28 0.02 1 1107 . 112 PHE C C 174.9 0.05 1 1108 . 113 THR N N 111.1 0.02 1 1109 . 113 THR H H 8.57 0.02 1 1110 . 113 THR CA C 60.6 0.05 1 1111 . 113 THR HA H 4.47 0.02 1 1112 . 113 THR CB C 69.6 0.05 1 1113 . 113 THR HB H 4.40 0.02 1 1114 . 113 THR HG2 H 1.18 0.02 1 1115 . 113 THR CG2 C 22.3 0.05 1 1116 . 113 THR C C 174.3 0.05 1 1117 . 114 ARG N N 121.2 0.02 1 1118 . 114 ARG H H 8.27 0.02 1 1119 . 114 ARG CA C 56.0 0.05 1 1120 . 114 ARG HA H 4.53 0.02 1 1121 . 114 ARG CB C 31.5 0.05 1 1122 . 114 ARG HB2 H 1.92 0.02 2 1123 . 114 ARG HB3 H 1.81 0.02 2 1124 . 114 ARG CG C 26.3 0.05 1 1125 . 114 ARG HG2 H 1.58 0.02 1 1126 . 114 ARG HG3 H 1.58 0.02 1 1127 . 114 ARG CD C 43.4 0.05 1 1128 . 114 ARG HD2 H 3.17 0.02 1 1129 . 114 ARG HD3 H 3.17 0.02 1 1130 . 114 ARG C C 175.2 0.05 1 1131 . 115 GLU N N 121.0 0.02 1 1132 . 115 GLU H H 8.42 0.02 1 1133 . 115 GLU CA C 56.3 0.05 1 1134 . 115 GLU HA H 4.33 0.02 1 1135 . 115 GLU CB C 30.6 0.05 1 1136 . 115 GLU HB2 H 2.13 0.02 2 1137 . 115 GLU HB3 H 1.95 0.02 2 1138 . 115 GLU CG C 36.3 0.05 1 1139 . 115 GLU HG2 H 2.36 0.02 1 1140 . 115 GLU HG3 H 2.36 0.02 1 1141 . 115 GLU C C 175.8 0.05 1 1142 . 116 GLY N N 116.6 0.02 1 1143 . 116 GLY H H 8.11 0.02 1 1144 . 116 GLY CA C 46.3 0.05 1 1145 . 116 GLY HA2 H 3.95 0.02 2 1146 . 116 GLY HA3 H 3.75 0.02 2 stop_ save_