data_5341 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone assignment of an extended N-terminal, DNA-binding domain construct of the replication initiation protein from a geminivirus ; _BMRB_accession_number 5341 _BMRB_flat_file_name bmr5341.str _Entry_type original _Submission_date 2002-04-09 _Accession_date 2002-04-09 _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 Campos-Olivas Ramon . . 2 Louis John M. . 3 Gronenborn Bruno . . 4 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 172 "13C chemical shifts" 290 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-11-04 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5297 'shorter protein, containing Rep4-121.' stop_ _Original_release_date 2002-11-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N assignment of the N-terminal, catalytic domain of the replication initiation protein from the geminivirus TYLCV ; _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 Campos-Olivas Ramon . . 2 Louis John M. . 3 Clerot D. . . 4 Gronenborn Bruno . . 5 Gronenborn Angela M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 24 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 73 _Page_last 74 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_NTD-Rep _Saveframe_category molecular_system _Mol_system_name 'N-terminal DNA-binding domain of Rep protein from a geminivirus' _Abbreviation_common 'NTD-Rep, DBD-Rep, Rep' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NTD-Rep, H6_rep1-136' $H6_rep1-136 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Initiation of geminiviral replication (nuclease)' 'Termination of replication (ligase)' 'genome replication specificity determinant' 'Transcriptional autorepressor' 'Transcriptional Activator' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_H6_rep1-136 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'N-terminal DNA-binding domain of Rep protein from a geminivirus' _Name_variant H6_rep1-136 _Abbreviation_common 'NTD-Rep, DBD-Rep, Rep' _Molecular_mass 17922.92 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; MRGSHHHHHHGIPGSGSGDD DDKMPRSGRFSIKAKNYFLT YPKCDLTKENALSQITNLQT PTNKLFIKICRELHENGEPH LHILIQFEGKYNCTNQRFFD LVSPTRSAHFHPNIQGAKSS SDVKSYIDKDGDVLEWGTFQ IDGRSARGGQQTANDAYAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -23 MET 2 -22 ARG 3 -21 GLY 4 -20 SER 5 -19 HIS 6 -18 HIS 7 -17 HIS 8 -16 HIS 9 -15 HIS 10 -14 HIS 11 -13 GLY 12 -12 ILE 13 -11 PRO 14 -10 GLY 15 -9 SER 16 -8 GLY 17 -7 SER 18 -6 GLY 19 -5 ASP 20 -4 ASP 21 -3 ASP 22 -2 ASP 23 -1 LYS 24 1 MET 25 2 PRO 26 3 ARG 27 4 SER 28 5 GLY 29 6 ARG 30 7 PHE 31 8 SER 32 9 ILE 33 10 LYS 34 11 ALA 35 12 LYS 36 13 ASN 37 14 TYR 38 15 PHE 39 16 LEU 40 17 THR 41 18 TYR 42 19 PRO 43 20 LYS 44 21 CYS 45 22 ASP 46 23 LEU 47 24 THR 48 25 LYS 49 26 GLU 50 27 ASN 51 28 ALA 52 29 LEU 53 30 SER 54 31 GLN 55 32 ILE 56 33 THR 57 34 ASN 58 35 LEU 59 36 GLN 60 37 THR 61 38 PRO 62 39 THR 63 40 ASN 64 41 LYS 65 42 LEU 66 43 PHE 67 44 ILE 68 45 LYS 69 46 ILE 70 47 CYS 71 48 ARG 72 49 GLU 73 50 LEU 74 51 HIS 75 52 GLU 76 53 ASN 77 54 GLY 78 55 GLU 79 56 PRO 80 57 HIS 81 58 LEU 82 59 HIS 83 60 ILE 84 61 LEU 85 62 ILE 86 63 GLN 87 64 PHE 88 65 GLU 89 66 GLY 90 67 LYS 91 68 TYR 92 69 ASN 93 70 CYS 94 71 THR 95 72 ASN 96 73 GLN 97 74 ARG 98 75 PHE 99 76 PHE 100 77 ASP 101 78 LEU 102 79 VAL 103 80 SER 104 81 PRO 105 82 THR 106 83 ARG 107 84 SER 108 85 ALA 109 86 HIS 110 87 PHE 111 88 HIS 112 89 PRO 113 90 ASN 114 91 ILE 115 92 GLN 116 93 GLY 117 94 ALA 118 95 LYS 119 96 SER 120 97 SER 121 98 SER 122 99 ASP 123 100 VAL 124 101 LYS 125 102 SER 126 103 TYR 127 104 ILE 128 105 ASP 129 106 LYS 130 107 ASP 131 108 GLY 132 109 ASP 133 110 VAL 134 111 LEU 135 112 GLU 136 113 TRP 137 114 GLY 138 115 THR 139 116 PHE 140 117 GLN 141 118 ILE 142 119 ASP 143 120 GLY 144 121 ARG 145 122 SER 146 123 ALA 147 124 ARG 148 125 GLY 149 126 GLY 150 127 GLN 151 128 GLN 152 129 THR 153 130 ALA 154 131 ASN 155 132 ASP 156 133 ALA 157 134 TYR 158 135 ALA 159 136 LYS 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 5297 rep4-121 74.21 118 100.00 100.00 5.43e-82 PDB 1L2M "Minimized Average Structure Of The N-Terminal, Dna-Binding Domain Of The Replication Initiation Protein From A Geminivirus (Tom" 74.21 118 100.00 100.00 5.43e-82 PDB 1L5I "30-Conformer Nmr Ensemble Of The N-Terminal, Dna-Binding Domain Of The Replication Initiation Protein From A Geminivirus (Tomat" 74.21 118 100.00 100.00 5.43e-82 EMBL CAA43466 "Rep protein [Tomato yellow leaf curl Sardinia virus]" 85.53 359 100.00 100.00 6.19e-94 GB ACE02956 "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" 52.20 93 98.80 100.00 4.01e-54 GB ACE02974 "replication-associated protein [Tomato yellow leaf curl Sardinia virus]" 52.20 93 98.80 100.00 4.01e-54 GB ADF43040 "Rep protein [Tomato yellow leaf curl Sardinia virus]" 85.53 359 98.53 99.26 1.04e-92 GB AFQ00071 "C1 [Tomato yellow leaf curl Sardinia virus]" 85.53 359 100.00 100.00 6.19e-94 REF NP_620741 "Rep protein [Tomato yellow leaf curl Sardinia virus]" 85.53 359 100.00 100.00 6.19e-94 SP P27260 "RecName: Full=Replication-associated protein; Short=Rep; AltName: Full=Protein C1 [Tomato yellow leaf curl Sardinia virus]" 85.53 359 100.00 100.00 6.19e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $H6_rep1-136 'Tomato yellow leaf curl virus - Sardinia' 123735 Viruses . Begomovirus 'Tomato yellow leaf curl virus - Sardinia' Sardinia 'rep, ac1, c1' 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 _Details $H6_rep1-136 'recombinant technology' . . . . . ; DNA coding for rep1-136 was inserted into plasmid pQE-32 and overexpressed in E.coli strain M15pRep4 (Qiagen), resulting in production of H6_rep1-136, that contains a non-native N-terminal tag of 23 residues, including a row of 6 his. For the complete assignment, the shorter construct rep4-121 was produced by proteolysis of H6-rep1-136 with factor Xa. These are reported in the related entry BMRB-5297. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $H6_rep1-136 . mM 0.6 0.8 '[10%-13C; U-99% 15N]' 'sodium phosphate' 20 mM . . . NaCl 300 mM . . . DTT 1 mM . . . D2O 8 % . . . H2O 92 % . . . stop_ save_ save_sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $H6_rep1-136 . mM 0.6 0.8 '[U-13C; U-99% 15N]' 'sodium phosphate' 20 mM . . . NaCl 300 mM . . . DTT 1 mM . . . D2O 8 % . . . H2O 92 % . . . stop_ save_ save_sample3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $H6_rep1-136 . mM 0.6 0.8 '[U-10% 13C; U-99% 15N]' 'sodium phosphate' 20 mM . . . NaCl 300 mM . . . DTT 1 mM . . . D2O 100 % . . . stop_ save_ save_sample4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $H6_rep1-136 . mM 0.6 0.8 '[U-13C; U-99% 15N]' 'sodium phosphate' 20 mM . . . NaCl 300 mM . . . DTT 1 mM . . . D2O 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Saveframe_category software _Name nmrpipe _Version . loop_ _Task processing stop_ _Details http://spin.niddk.nih.gov/bax/ save_ save_nmrview _Saveframe_category software _Name nmrview _Version 4.1.1 loop_ _Task assignment stop_ _Details http://www.nmrview.com/index.html save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_HSQC/HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label . save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCOCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label . save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label . save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_15N-edited_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label . save_ save_4D_13C,13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C,13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C,13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_H2O _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 0.1 n/a temperature 298 0.5 K 'ionic strength' 1.0 0.02 M stop_ save_ save_cond_D2O _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.6 0.1 n/a temperature 298 0.5 K 'ionic strength' 1.0 0.02 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 H2O H 1 protons ppm 4.774 internal direct . . . 1.0 H2O N 15 protons ppm 0.0 . indirect . . . 0.101329118 H2O C 13 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_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample1 $sample2 $sample3 $sample4 stop_ _Sample_conditions_label $cond_H2O _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NTD-Rep, H6_rep1-136' _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 ARG CA C 56.52 0.1 1 2 . 2 ARG C C 176.30 0.1 1 3 . 3 GLY N N 110.94 0.05 1 4 . 3 GLY H H 8.64 0.04 1 5 . 3 GLY CA C 45.18 0.1 1 6 . 3 GLY C C 173.64 0.1 1 7 . 4 SER N N 121.51 0.05 1 8 . 4 SER H H 8.11 0.04 1 9 . 4 SER CA C 58.76 0.1 1 10 . 10 HIS CA C 56.18 0.1 1 11 . 10 HIS C C 175.46 0.1 1 12 . 11 GLY N N 110.14 0.05 1 13 . 11 GLY H H 8.43 0.04 1 14 . 11 GLY CA C 45.16 0.1 1 15 . 11 GLY C C 172.73 0.1 1 16 . 12 ILE N N 119.68 0.05 1 17 . 12 ILE H H 7.83 0.04 1 18 . 12 ILE CA C 58.07 0.1 1 19 . 13 PRO CA C 63.70 0.1 1 20 . 13 PRO C C 177.50 0.1 1 21 . 14 GLY N N 110.10 0.05 1 22 . 14 GLY H H 8.58 0.04 1 23 . 14 GLY CA C 45.40 0.1 1 24 . 14 GLY C C 174.49 0.1 1 25 . 15 SER N N 115.40 0.05 1 26 . 15 SER H H 8.27 0.04 1 27 . 15 SER CA C 58.58 0.1 1 28 . 15 SER C C 175.10 0.1 1 29 . 16 GLY N N 110.78 0.05 1 30 . 16 GLY H H 8.46 0.04 1 31 . 16 GLY CA C 45.42 0.1 1 32 . 16 GLY C C 174.33 0.1 1 33 . 17 SER N N 115.63 0.05 1 34 . 17 SER H H 8.35 0.04 1 35 . 17 SER CA C 58.51 0.1 1 36 . 17 SER C C 175.15 0.1 1 37 . 18 GLY N N 111.10 0.05 1 38 . 18 GLY H H 8.56 0.04 1 39 . 18 GLY CA C 45.48 0.1 1 40 . 19 ASP C C 176.34 0.1 1 41 . 20 ASP N N 120.25 0.05 1 42 . 20 ASP H H 8.28 0.04 1 43 . 20 ASP CA C 54.76 0.1 1 44 . 20 ASP C C 176.19 0.1 1 45 . 21 ASP N N 120.08 0.05 1 46 . 21 ASP H H 8.35 0.04 1 47 . 21 ASP CA C 54.60 0.1 1 48 . 21 ASP C C 176.29 0.1 1 49 . 22 ASP N N 120.44 0.05 1 50 . 22 ASP H H 8.27 0.04 1 51 . 22 ASP CA C 54.75 0.1 1 52 . 22 ASP C C 176.43 0.1 1 53 . 23 LYS N N 119.87 0.05 1 54 . 23 LYS H H 8.13 0.04 1 55 . 23 LYS CA C 56.33 0.1 1 56 . 23 LYS C C 176.69 0.1 1 57 . 24 MET N N 121.36 0.05 1 58 . 24 MET H H 8.16 0.04 1 59 . 24 MET CA C 53.52 0.1 1 60 . 25 PRO CA C 63.24 0.1 1 61 . 25 PRO C C 177.19 0.1 1 62 . 26 ARG N N 121.69 0.05 1 63 . 26 ARG H H 8.58 0.04 1 64 . 26 ARG CA C 56.39 0.1 1 65 . 26 ARG C C 176.71 0.1 1 66 . 27 SER N N 116.22 0.05 1 67 . 27 SER H H 8.38 0.04 1 68 . 27 SER CA C 58.53 0.1 1 69 . 27 SER C C 175.26 0.1 1 70 . 28 GLY N N 111.22 0.05 1 71 . 28 GLY H H 8.61 0.04 1 72 . 28 GLY CA C 45.39 0.1 1 73 . 28 GLY C C 173.98 0.1 1 74 . 29 ARG N N 120.43 0.05 1 75 . 29 ARG H H 8.14 0.04 1 76 . 29 ARG CA C 56.02 0.1 1 77 . 29 ARG C C 175.57 0.1 1 78 . 30 PHE N N 125.00 0.05 1 79 . 30 PHE H H 8.57 0.04 1 80 . 30 PHE CA C 58.67 0.1 1 81 . 30 PHE C C 174.70 0.1 1 82 . 31 SER N N 120.34 0.05 1 83 . 31 SER H H 7.64 0.04 1 84 . 31 SER CA C 57.73 0.1 1 85 . 31 SER C C 173.01 0.1 1 86 . 32 ILE N N 127.17 0.05 1 87 . 32 ILE H H 8.09 0.04 1 88 . 32 ILE CA C 60.17 0.1 1 89 . 32 ILE C C 174.19 0.1 1 90 . 33 LYS N N 127.18 0.05 1 91 . 33 LYS H H 8.62 0.04 1 92 . 33 LYS CA C 55.74 0.1 1 93 . 33 LYS C C 174.47 0.1 1 94 . 34 ALA N N 124.00 0.05 1 95 . 34 ALA H H 7.89 0.04 1 96 . 34 ALA CA C 52.02 0.1 1 97 . 34 ALA C C 175.59 0.1 1 98 . 35 LYS N N 121.76 0.05 1 99 . 35 LYS H H 8.94 0.04 1 100 . 35 LYS CA C 58.19 0.1 1 101 . 35 LYS C C 174.60 0.1 1 102 . 36 ASN N N 114.91 0.05 1 103 . 36 ASN H H 7.81 0.04 1 104 . 36 ASN CA C 51.85 0.1 1 105 . 36 ASN ND2 N 113.06 0.05 1 106 . 36 ASN HD21 H 7.23 0.04 1 107 . 36 ASN HD22 H 7.14 0.04 1 108 . 36 ASN C C 173.55 0.1 1 109 . 37 TYR N N 123.57 0.05 1 110 . 37 TYR H H 9.61 0.04 1 111 . 37 TYR CA C 57.70 0.1 1 112 . 37 TYR C C 173.93 0.1 1 113 . 38 PHE N N 120.13 0.05 1 114 . 38 PHE H H 9.12 0.04 1 115 . 38 PHE CA C 56.44 0.1 1 116 . 38 PHE C C 174.58 0.1 1 117 . 39 LEU N N 126.37 0.05 1 118 . 39 LEU H H 9.43 0.04 1 119 . 39 LEU CA C 52.83 0.1 1 120 . 39 LEU C C 176.27 0.1 1 121 . 40 THR N N 117.77 0.05 1 122 . 40 THR H H 8.09 0.04 1 123 . 40 THR CA C 61.81 0.1 1 124 . 40 THR C C 172.56 0.1 1 125 . 41 TYR N N 126.86 0.05 1 126 . 41 TYR H H 9.70 0.04 1 127 . 41 TYR CA C 54.79 0.1 1 128 . 42 PRO CA C 61.85 0.1 1 129 . 42 PRO C C 176.95 0.1 1 130 . 43 LYS N N 119.26 0.05 1 131 . 43 LYS H H 7.43 0.04 1 132 . 43 LYS CA C 57.53 0.1 1 133 . 43 LYS C C 174.77 0.1 1 134 . 44 CYS N N 118.89 0.05 1 135 . 44 CYS H H 7.57 0.04 1 136 . 44 CYS CA C 58.01 0.1 1 137 . 44 CYS C C 172.69 0.1 1 138 . 45 ASP N N 126.41 0.05 1 139 . 45 ASP H H 7.74 0.04 1 140 . 45 ASP CA C 53.05 0.1 1 141 . 45 ASP C C 175.86 0.1 1 142 . 46 LEU N N 119.28 0.05 1 143 . 46 LEU H H 6.65 0.04 1 144 . 46 LEU CA C 55.02 0.1 1 145 . 46 LEU C C 177.38 0.1 1 146 . 47 THR N N 110.71 0.05 1 147 . 47 THR H H 8.37 0.04 1 148 . 47 THR CA C 60.99 0.1 1 149 . 47 THR C C 175.62 0.1 1 150 . 48 LYS N N 119.73 0.05 1 151 . 48 LYS H H 8.85 0.04 1 152 . 48 LYS CA C 60.15 0.1 1 153 . 48 LYS C C 177.90 0.1 1 154 . 49 GLU N N 116.56 0.05 1 155 . 49 GLU H H 9.25 0.04 1 156 . 49 GLU CA C 60.58 0.1 1 157 . 49 GLU C C 179.02 0.1 1 158 . 50 ASN N N 120.80 0.05 1 159 . 50 ASN H H 7.96 0.04 1 160 . 50 ASN CA C 56.46 0.1 1 161 . 50 ASN ND2 N 110.69 0.05 1 162 . 50 ASN HD21 H 7.66 0.04 1 163 . 50 ASN HD22 H 7.11 0.04 1 164 . 50 ASN C C 177.94 0.1 1 165 . 51 ALA N N 120.99 0.05 1 166 . 51 ALA H H 8.02 0.04 1 167 . 51 ALA CA C 55.66 0.1 1 168 . 51 ALA C C 178.44 0.1 1 169 . 52 LEU N N 116.53 0.05 1 170 . 52 LEU H H 8.29 0.04 1 171 . 52 LEU CA C 58.50 0.1 1 172 . 52 LEU C C 178.75 0.1 1 173 . 53 SER N N 114.64 0.05 1 174 . 53 SER H H 7.80 0.04 1 175 . 53 SER CA C 61.34 0.1 1 176 . 53 SER C C 176.36 0.1 1 177 . 54 GLN N N 118.44 0.05 1 178 . 54 GLN H H 7.82 0.04 1 179 . 54 GLN CA C 60.18 0.1 1 180 . 54 GLN NE2 N 114.52 0.05 1 181 . 54 GLN HE21 H 7.74 0.04 1 182 . 54 GLN HE22 H 7.68 0.04 1 183 . 54 GLN C C 179.23 0.1 1 184 . 55 ILE N N 118.70 0.05 1 185 . 55 ILE H H 8.21 0.04 1 186 . 55 ILE CA C 61.80 0.1 1 187 . 55 ILE C C 178.86 0.1 1 188 . 56 THR N N 111.09 0.05 1 189 . 56 THR H H 8.50 0.04 1 190 . 56 THR CA C 65.56 0.1 1 191 . 56 THR C C 176.00 0.1 1 192 . 57 ASN N N 117.12 0.05 1 193 . 57 ASN H H 7.12 0.04 1 194 . 57 ASN CA C 53.87 0.1 1 195 . 57 ASN ND2 N 113.35 0.05 1 196 . 57 ASN HD21 H 7.63 0.04 1 197 . 57 ASN HD22 H 6.82 0.04 1 198 . 57 ASN C C 175.16 0.1 1 199 . 58 LEU N N 121.64 0.05 1 200 . 58 LEU H H 7.26 0.04 1 201 . 58 LEU CA C 55.12 0.1 1 202 . 58 LEU C C 176.97 0.1 1 203 . 59 GLN N N 126.82 0.05 1 204 . 59 GLN H H 8.97 0.04 1 205 . 59 GLN CA C 55.99 0.1 1 206 . 59 GLN NE2 N 112.98 0.05 1 207 . 59 GLN HE21 H 7.50 0.04 1 208 . 59 GLN HE22 H 6.89 0.04 1 209 . 59 GLN C C 175.58 0.1 1 210 . 60 THR N N 114.78 0.05 1 211 . 60 THR H H 8.39 0.04 1 212 . 60 THR CA C 57.66 0.1 1 213 . 61 PRO CA C 64.07 0.1 1 214 . 61 PRO C C 175.54 0.1 1 215 . 62 THR N N 111.14 0.05 1 216 . 62 THR H H 6.75 0.04 1 217 . 62 THR CA C 58.81 0.1 1 218 . 62 THR C C 173.29 0.1 1 219 . 63 ASN N N 125.56 0.05 1 220 . 63 ASN H H 8.95 0.04 1 221 . 63 ASN CA C 54.07 0.1 1 222 . 63 ASN ND2 N 114.28 0.05 1 223 . 63 ASN HD21 H 7.93 0.04 1 224 . 63 ASN HD22 H 7.10 0.04 1 225 . 63 ASN C C 175.14 0.1 1 226 . 64 LYS N N 121.11 0.05 1 227 . 64 LYS H H 8.82 0.04 1 228 . 64 LYS CA C 56.51 0.1 1 229 . 64 LYS C C 175.27 0.1 1 230 . 65 LEU N N 121.66 0.05 1 231 . 65 LEU H H 9.31 0.04 1 232 . 65 LEU CA C 55.64 0.1 1 233 . 65 LEU C C 177.10 0.1 1 234 . 66 PHE N N 117.88 0.05 1 235 . 66 PHE H H 7.74 0.04 1 236 . 66 PHE CA C 56.74 0.1 1 237 . 66 PHE C C 173.38 0.1 1 238 . 67 ILE N N 126.71 0.05 1 239 . 67 ILE H H 8.80 0.04 1 240 . 67 ILE CA C 59.32 0.1 1 241 . 67 ILE C C 173.55 0.1 1 242 . 68 LYS N N 123.18 0.05 1 243 . 68 LYS H H 8.68 0.04 1 244 . 68 LYS CA C 55.01 0.1 1 245 . 68 LYS C C 175.08 0.1 1 246 . 69 ILE N N 131.17 0.05 1 247 . 69 ILE H H 9.57 0.04 1 248 . 69 ILE CA C 59.99 0.1 1 249 . 69 ILE C C 174.26 0.1 1 250 . 70 CYS N N 125.76 0.05 1 251 . 70 CYS H H 9.50 0.04 1 252 . 70 CYS CA C 56.83 0.1 1 253 . 70 CYS C C 173.18 0.1 1 254 . 71 ARG N N 105.38 0.05 1 255 . 71 ARG H H 8.85 0.04 1 256 . 71 ARG CA C 55.16 0.1 1 257 . 71 ARG C C 174.80 0.1 1 258 . 72 GLU N N 126.94 0.05 1 259 . 72 GLU H H 8.94 0.04 1 260 . 72 GLU CA C 54.60 0.1 1 261 . 72 GLU C C 174.13 0.1 1 262 . 73 LEU N N 123.57 0.05 1 263 . 73 LEU H H 8.71 0.04 1 264 . 73 LEU CA C 54.09 0.1 1 265 . 73 LEU C C 177.48 0.1 1 266 . 74 HIS N N 123.57 0.05 1 267 . 74 HIS H H 8.70 0.04 1 268 . 74 HIS CA C 55.42 0.1 1 269 . 75 GLU CA C 59.22 0.1 1 270 . 75 GLU C C 176.99 0.1 1 271 . 76 ASN N N 117.01 0.05 1 272 . 76 ASN H H 9.00 0.04 1 273 . 76 ASN CA C 53.29 0.1 1 274 . 76 ASN ND2 N 110.84 0.05 1 275 . 76 ASN HD21 H 7.53 0.04 1 276 . 76 ASN HD22 H 6.80 0.04 1 277 . 76 ASN C C 176.11 0.1 1 278 . 77 GLY N N 107.56 0.05 1 279 . 77 GLY H H 8.35 0.04 1 280 . 77 GLY CA C 45.43 0.1 1 281 . 77 GLY C C 173.79 0.1 1 282 . 78 GLU N N 120.69 0.05 1 283 . 78 GLU H H 7.83 0.04 1 284 . 78 GLU CA C 54.08 0.1 1 285 . 79 PRO CA C 62.48 0.1 1 286 . 79 PRO C C 176.28 0.1 1 287 . 80 HIS N N 119.78 0.05 1 288 . 80 HIS H H 9.07 0.04 1 289 . 80 HIS CA C 55.18 0.1 1 290 . 80 HIS C C 173.85 0.1 1 291 . 81 LEU N N 120.75 0.05 1 292 . 81 LEU H H 8.07 0.04 1 293 . 81 LEU CA C 53.44 0.1 1 294 . 81 LEU C C 174.98 0.1 1 295 . 82 HIS N N 124.68 0.05 1 296 . 82 HIS H H 9.28 0.04 1 297 . 82 HIS CA C 54.48 0.1 1 298 . 82 HIS C C 175.01 0.1 1 299 . 83 ILE N N 121.53 0.05 1 300 . 83 ILE H H 9.60 0.04 1 301 . 83 ILE CA C 61.33 0.1 1 302 . 83 ILE C C 173.96 0.1 1 303 . 84 LEU N N 128.47 0.05 1 304 . 84 LEU H H 8.67 0.04 1 305 . 84 LEU CA C 53.01 0.1 1 306 . 84 LEU C C 175.48 0.1 1 307 . 85 ILE N N 123.87 0.05 1 308 . 85 ILE H H 9.08 0.04 1 309 . 85 ILE CA C 60.35 0.1 1 310 . 85 ILE C C 174.63 0.1 1 311 . 86 GLN N N 124.50 0.05 1 312 . 86 GLN H H 9.25 0.04 1 313 . 86 GLN CA C 54.98 0.1 1 314 . 86 GLN NE2 N 109.77 0.05 1 315 . 86 GLN HE21 H 7.12 0.04 1 316 . 86 GLN HE22 H 6.44 0.04 1 317 . 86 GLN C C 175.58 0.1 1 318 . 87 PHE N N 125.48 0.05 1 319 . 87 PHE H H 9.50 0.04 1 320 . 87 PHE CA C 58.11 0.1 1 321 . 87 PHE C C 175.34 0.1 1 322 . 88 GLU N N 120.04 0.05 1 323 . 88 GLU H H 8.94 0.04 1 324 . 88 GLU CA C 58.20 0.1 1 325 . 88 GLU C C 176.02 0.1 1 326 . 89 GLY N N 108.11 0.05 1 327 . 89 GLY H H 7.68 0.04 1 328 . 89 GLY CA C 43.31 0.1 1 329 . 89 GLY C C 171.57 0.1 1 330 . 90 LYS N N 115.35 0.05 1 331 . 90 LYS H H 8.23 0.04 1 332 . 90 LYS CA C 57.45 0.1 1 333 . 90 LYS C C 176.19 0.1 1 334 . 91 TYR N N 124.55 0.05 1 335 . 91 TYR H H 8.30 0.04 1 336 . 91 TYR CA C 55.84 0.1 1 337 . 91 TYR C C 175.26 0.1 1 338 . 92 ASN N N 132.64 0.05 1 339 . 92 ASN H H 8.68 0.04 1 340 . 92 ASN CA C 50.14 0.1 1 341 . 92 ASN ND2 N 110.27 0.05 1 342 . 92 ASN HD21 H 6.94 0.04 1 343 . 92 ASN HD22 H 6.68 0.04 1 344 . 92 ASN C C 171.00 0.1 1 345 . 93 CYS N N 126.47 0.05 1 346 . 93 CYS H H 8.44 0.04 1 347 . 93 CYS CA C 58.81 0.1 1 348 . 93 CYS C C 174.37 0.1 1 349 . 94 THR N N 117.02 0.05 1 350 . 94 THR H H 8.43 0.04 1 351 . 94 THR CA C 60.87 0.1 1 352 . 94 THR C C 173.76 0.1 1 353 . 95 ASN N N 120.97 0.05 1 354 . 95 ASN H H 7.77 0.04 1 355 . 95 ASN CA C 51.74 0.1 1 356 . 95 ASN ND2 N 111.59 0.05 1 357 . 95 ASN HD21 H 7.86 0.04 1 358 . 95 ASN HD22 H 7.18 0.04 1 359 . 95 ASN C C 175.36 0.1 1 360 . 96 GLN N N 124.53 0.05 1 361 . 96 GLN H H 9.18 0.04 1 362 . 96 GLN CA C 58.16 0.1 1 363 . 96 GLN NE2 N 111.90 0.05 1 364 . 96 GLN HE21 H 7.29 0.04 1 365 . 96 GLN HE22 H 6.91 0.04 1 366 . 96 GLN C C 176.57 0.1 1 367 . 97 ARG N N 116.79 0.05 1 368 . 97 ARG H H 8.22 0.04 1 369 . 97 ARG CA C 55.94 0.1 1 370 . 97 ARG C C 178.19 0.1 1 371 . 98 PHE N N 121.78 0.05 1 372 . 98 PHE H H 7.90 0.04 1 373 . 98 PHE CA C 62.52 0.1 1 374 . 98 PHE C C 175.15 0.1 1 375 . 99 PHE N N 110.25 0.05 1 376 . 99 PHE H H 8.36 0.04 1 377 . 99 PHE CA C 56.60 0.1 1 378 . 99 PHE C C 174.81 0.1 1 379 . 100 ASP N N 122.67 0.05 1 380 . 100 ASP H H 7.58 0.04 1 381 . 100 ASP CA C 56.17 0.1 1 382 . 100 ASP C C 176.30 0.1 1 383 . 101 LEU N N 121.75 0.05 1 384 . 101 LEU H H 8.70 0.04 1 385 . 101 LEU CA C 53.05 0.1 1 386 . 101 LEU C C 176.59 0.1 1 387 . 102 VAL N N 118.36 0.05 1 388 . 102 VAL H H 9.17 0.04 1 389 . 102 VAL CA C 60.48 0.1 1 390 . 102 VAL C C 176.22 0.1 1 391 . 103 SER N N 118.46 0.05 1 392 . 103 SER H H 8.38 0.04 1 393 . 103 SER CA C 55.51 0.1 1 394 . 104 PRO CA C 64.33 0.1 1 395 . 104 PRO C C 177.79 0.1 1 396 . 105 THR N N 107.18 0.05 1 397 . 105 THR H H 7.83 0.04 1 398 . 105 THR CA C 61.69 0.1 1 399 . 105 THR C C 174.34 0.1 1 400 . 106 ARG N N 119.06 0.05 1 401 . 106 ARG H H 7.91 0.04 1 402 . 106 ARG CA C 55.57 0.1 1 403 . 107 SER CA C 58.46 0.1 1 404 . 107 SER C C 173.75 0.1 1 405 . 108 ALA N N 124.49 0.05 1 406 . 108 ALA H H 7.54 0.04 1 407 . 108 ALA CA C 51.72 0.1 1 408 . 108 ALA C C 175.56 0.1 1 409 . 109 HIS N N 118.59 0.05 1 410 . 109 HIS H H 8.26 0.04 1 411 . 109 HIS CA C 54.45 0.1 1 412 . 109 HIS C C 174.19 0.1 1 413 . 110 PHE N N 120.47 0.05 1 414 . 110 PHE H H 9.39 0.04 1 415 . 110 PHE CA C 57.18 0.1 1 416 . 110 PHE C C 174.19 0.1 1 417 . 111 HIS N N 125.54 0.05 1 418 . 111 HIS H H 9.14 0.04 1 419 . 111 HIS CA C 51.26 0.1 1 420 . 112 PRO CA C 61.69 0.1 1 421 . 112 PRO C C 176.62 0.1 1 422 . 113 ASN N N 114.89 0.05 1 423 . 113 ASN H H 8.47 0.04 1 424 . 113 ASN CA C 53.46 0.1 1 425 . 113 ASN ND2 N 112.78 0.05 1 426 . 113 ASN HD21 H 7.64 0.04 1 427 . 113 ASN HD22 H 7.03 0.04 1 428 . 113 ASN C C 174.98 0.1 1 429 . 114 ILE N N 126.33 0.05 1 430 . 114 ILE H H 8.54 0.04 1 431 . 114 ILE CA C 61.63 0.1 1 432 . 114 ILE C C 174.80 0.1 1 433 . 115 GLN N N 124.72 0.05 1 434 . 115 GLN H H 8.79 0.04 1 435 . 115 GLN CA C 54.62 0.1 1 436 . 115 GLN NE2 N 112.17 0.05 1 437 . 115 GLN HE21 H 7.65 0.04 1 438 . 115 GLN HE22 H 6.90 0.04 1 439 . 115 GLN C C 174.98 0.1 1 440 . 116 GLY N N 110.96 0.05 1 441 . 116 GLY H H 8.86 0.04 1 442 . 116 GLY CA C 44.16 0.1 1 443 . 116 GLY C C 173.62 0.1 1 444 . 117 ALA N N 125.98 0.05 1 445 . 117 ALA H H 8.29 0.04 1 446 . 117 ALA CA C 52.11 0.1 1 447 . 117 ALA C C 178.08 0.1 1 448 . 118 LYS N N 122.86 0.05 1 449 . 118 LYS H H 9.06 0.04 1 450 . 118 LYS CA C 57.43 0.1 1 451 . 118 LYS C C 176.79 0.1 1 452 . 119 SER N N 113.03 0.05 1 453 . 119 SER H H 8.09 0.04 1 454 . 119 SER CA C 57.00 0.1 1 455 . 121 SER CA C 61.32 0.1 1 456 . 121 SER C C 176.59 0.1 1 457 . 122 ASP N N 122.23 0.05 1 458 . 122 ASP H H 7.83 0.04 1 459 . 122 ASP CA C 57.03 0.1 1 460 . 122 ASP C C 178.59 0.1 1 461 . 123 VAL N N 117.93 0.05 1 462 . 123 VAL H H 7.57 0.04 1 463 . 123 VAL CA C 65.40 0.1 1 464 . 123 VAL C C 176.82 0.1 1 465 . 124 LYS N N 120.92 0.05 1 466 . 124 LYS H H 7.95 0.04 1 467 . 124 LYS CA C 59.45 0.1 1 468 . 124 LYS C C 177.70 0.1 1 469 . 125 SER N N 112.53 0.05 1 470 . 125 SER H H 8.18 0.04 1 471 . 125 SER CA C 61.41 0.1 1 472 . 125 SER C C 176.26 0.1 1 473 . 126 TYR N N 121.16 0.05 1 474 . 126 TYR H H 7.58 0.04 1 475 . 126 TYR CA C 61.08 0.1 1 476 . 126 TYR C C 178.53 0.1 1 477 . 127 ILE N N 121.11 0.05 1 478 . 127 ILE H H 8.27 0.04 1 479 . 127 ILE CA C 64.30 0.1 1 480 . 127 ILE C C 177.16 0.1 1 481 . 128 ASP N N 118.87 0.05 1 482 . 128 ASP H H 7.90 0.04 1 483 . 128 ASP CA C 55.35 0.1 1 484 . 128 ASP C C 176.65 0.1 1 485 . 129 LYS N N 120.78 0.05 1 486 . 129 LYS H H 7.09 0.04 1 487 . 129 LYS CA C 57.91 0.1 1 488 . 129 LYS C C 175.91 0.1 1 489 . 130 ASP N N 125.48 0.05 1 490 . 130 ASP H H 8.42 0.04 1 491 . 130 ASP CA C 52.60 0.1 1 492 . 130 ASP C C 175.12 0.1 1 493 . 131 GLY N N 107.21 0.05 1 494 . 131 GLY H H 8.22 0.04 1 495 . 131 GLY CA C 45.60 0.1 1 496 . 131 GLY C C 172.88 0.1 1 497 . 132 ASP N N 127.22 0.05 1 498 . 132 ASP H H 9.01 0.04 1 499 . 132 ASP CA C 53.43 0.1 1 500 . 132 ASP C C 174.92 0.1 1 501 . 133 VAL N N 115.64 0.05 1 502 . 133 VAL H H 7.76 0.04 1 503 . 133 VAL CA C 58.84 0.1 1 504 . 133 VAL C C 175.81 0.1 1 505 . 134 LEU N N 124.28 0.05 1 506 . 134 LEU H H 8.89 0.04 1 507 . 134 LEU CA C 55.15 0.1 1 508 . 134 LEU C C 173.96 0.1 1 509 . 135 GLU N N 125.14 0.05 1 510 . 135 GLU H H 8.87 0.04 1 511 . 135 GLU CA C 54.78 0.1 1 512 . 135 GLU C C 174.31 0.1 1 513 . 136 TRP N N 124.57 0.05 1 514 . 136 TRP H H 8.83 0.04 1 515 . 136 TRP CA C 57.51 0.1 1 516 . 136 TRP NE1 N 129.18 0.05 1 517 . 136 TRP HE1 H 10.17 0.04 1 518 . 136 TRP C C 174.64 0.1 1 519 . 137 GLY N N 113.61 0.05 1 520 . 137 GLY H H 7.95 0.04 1 521 . 137 GLY CA C 44.69 0.1 1 522 . 137 GLY C C 174.94 0.1 1 523 . 138 THR N N 116.22 0.05 1 524 . 138 THR H H 8.06 0.04 1 525 . 138 THR CA C 61.56 0.1 1 526 . 138 THR C C 172.50 0.1 1 527 . 139 PHE N N 129.02 0.05 1 528 . 139 PHE H H 8.17 0.04 1 529 . 139 PHE CA C 57.67 0.1 1 530 . 139 PHE C C 174.76 0.1 1 531 . 140 GLN N N 127.19 0.05 1 532 . 140 GLN H H 9.24 0.04 1 533 . 140 GLN CA C 54.22 0.1 1 534 . 140 GLN NE2 N 114.55 0.05 1 535 . 140 GLN HE21 H 7.47 0.04 1 536 . 140 GLN HE22 H 6.97 0.04 1 537 . 140 GLN C C 174.72 0.1 1 538 . 141 ILE N N 123.43 0.05 1 539 . 141 ILE H H 8.12 0.04 1 540 . 141 ILE CA C 60.64 0.1 1 541 . 141 ILE C C 175.50 0.1 1 542 . 142 ASP N N 124.72 0.05 1 543 . 142 ASP H H 8.41 0.04 1 544 . 142 ASP CA C 54.60 0.1 1 545 . 142 ASP C C 176.67 0.1 1 546 . 143 GLY N N 109.70 0.05 1 547 . 143 GLY H H 8.46 0.04 1 548 . 143 GLY CA C 45.60 0.1 1 549 . 143 GLY C C 174.42 0.1 1 550 . 144 ARG N N 120.25 0.05 1 551 . 144 ARG H H 8.17 0.04 1 552 . 144 ARG CA C 56.34 0.1 1 553 . 144 ARG C C 176.63 0.1 1 554 . 145 SER N N 116.72 0.05 1 555 . 145 SER H H 8.38 0.04 1 556 . 145 SER CA C 58.50 0.1 1 557 . 145 SER C C 174.45 0.1 1 558 . 146 ALA N N 126.01 0.05 1 559 . 146 ALA H H 8.34 0.04 1 560 . 146 ALA CA C 52.75 0.1 1 561 . 146 ALA C C 177.79 0.1 1 562 . 147 ARG N N 119.78 0.05 1 563 . 147 ARG H H 8.29 0.04 1 564 . 147 ARG CA C 56.25 0.1 1 565 . 147 ARG C C 176.98 0.1 1 566 . 148 GLY N N 109.76 0.05 1 567 . 148 GLY H H 8.39 0.04 1 568 . 148 GLY CA C 45.48 0.1 1 569 . 148 GLY C C 174.75 0.1 1 570 . 149 GLY N N 108.66 0.05 1 571 . 149 GLY H H 8.31 0.04 1 572 . 149 GLY CA C 45.38 0.1 1 573 . 149 GLY C C 174.34 0.1 1 574 . 150 GLN N N 119.69 0.05 1 575 . 150 GLN H H 8.33 0.04 1 576 . 150 GLN CA C 56.02 0.1 1 577 . 150 GLN NE2 N 112.45 0.05 1 578 . 150 GLN HE21 H 7.54 0.04 1 579 . 150 GLN HE22 H 6.87 0.04 1 580 . 150 GLN C C 176.17 0.1 1 581 . 151 GLN N N 121.59 0.05 1 582 . 151 GLN H H 8.55 0.04 1 583 . 151 GLN CA C 56.14 0.1 1 584 . 151 GLN C C 176.22 0.1 1 585 . 152 THR N N 115.22 0.05 1 586 . 152 THR H H 8.24 0.04 1 587 . 152 THR CA C 61.77 0.1 1 588 . 152 THR C C 174.39 0.1 1 589 . 153 ALA N N 126.01 0.05 1 590 . 153 ALA H H 8.39 0.04 1 591 . 153 ALA CA C 52.75 0.1 1 592 . 153 ALA C C 177.53 0.1 1 593 . 154 ASN N N 117.86 0.05 1 594 . 154 ASN H H 8.38 0.04 1 595 . 154 ASN CA C 53.51 0.1 1 596 . 154 ASN ND2 N 112.78 0.05 1 597 . 154 ASN HD21 H 7.61 0.04 1 598 . 154 ASN HD22 H 6.93 0.04 1 599 . 154 ASN C C 175.15 0.1 1 600 . 155 ASP N N 120.68 0.05 1 601 . 155 ASP H H 8.23 0.04 1 602 . 155 ASP CA C 54.47 0.1 1 603 . 155 ASP C C 176.16 0.1 1 604 . 156 ALA N N 123.47 0.05 1 605 . 156 ALA H H 8.12 0.04 1 606 . 156 ALA CA C 52.96 0.1 1 607 . 156 ALA C C 177.51 0.1 1 608 . 157 TYR N N 118.08 0.05 1 609 . 157 TYR H H 7.99 0.04 1 610 . 157 TYR CA C 57.63 0.1 1 611 . 157 TYR C C 175.41 0.1 1 612 . 158 ALA N N 125.58 0.05 1 613 . 158 ALA H H 7.93 0.04 1 614 . 158 ALA CA C 52.44 0.1 1 615 . 158 ALA C C 176.38 0.1 1 616 . 159 LYS N N 126.04 0.05 1 617 . 159 LYS H H 7.82 0.04 1 618 . 159 LYS CA C 57.70 0.1 1 stop_ save_