data_4999 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H, 15N and 13C resonances of the nucleocapsid-binding domain of the Sendai virus Phosphoprotein ; _BMRB_accession_number 4999 _BMRB_flat_file_name bmr4999.str _Entry_type original _Submission_date 2001-04-26 _Accession_date 2001-04-26 _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 Marion Dominique . . 2 Tarbouriech Nicolas . . 3 Ruigrok Rob W.H. . 4 Burmeister Wilhelm P. . 5 Blanchard Laurence . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 598 "13C chemical shifts" 437 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-10-08 original author . stop_ _Original_release_date 2001-10-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of the 1H, 15N and 13C resonances of the nucleocapsid-binding domain of the Sendai virus Phosphoprotein ; _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 Marion Dominique . . 2 Tarbouriech Nicolas . . 3 Ruigrok Rob W.H. . 4 Burmeister Wilhelm P. . 5 Blanchard Laurence . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 21 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 75 _Page_last 76 _Year 2001 _Details . loop_ _Keyword 'heteronuclear NMR assignment' 'partially unfolded protein' phosphoprotein 'RNA polymerase' 'Sendai virus' stop_ save_ ################################## # Molecular system description # ################################## save_system_X-protein _Saveframe_category molecular_system _Mol_system_name 'nucleocapsid binding domain of the sendai virus phosphoprotein' _Abbreviation_common X-protein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label X-protein $X-protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function chaperone 'negative strand RNA virus polymerase cofactor' 'nucleocapsid binding domain' phosphoprotein stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_X-protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'X-protein of the sendai virus' _Abbreviation_common X-protein _Molecular_mass 12719 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; MRGSHHHHHHIEGRMKYKPD LIREDEFRDEIRNPVYQERD TEPRASNASRLLPSKEKPTM HSLRLVIESSPLSRAEKAAY VKSLSKCKTDQEVKAVMELV EEDIESLTN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 ILE 12 GLU 13 GLY 14 ARG 15 MET 16 LYS 17 TYR 18 LYS 19 PRO 20 ASP 21 LEU 22 ILE 23 ARG 24 GLU 25 ASP 26 GLU 27 PHE 28 ARG 29 ASP 30 GLU 31 ILE 32 ARG 33 ASN 34 PRO 35 VAL 36 TYR 37 GLN 38 GLU 39 ARG 40 ASP 41 THR 42 GLU 43 PRO 44 ARG 45 ALA 46 SER 47 ASN 48 ALA 49 SER 50 ARG 51 LEU 52 LEU 53 PRO 54 SER 55 LYS 56 GLU 57 LYS 58 PRO 59 THR 60 MET 61 HIS 62 SER 63 LEU 64 ARG 65 LEU 66 VAL 67 ILE 68 GLU 69 SER 70 SER 71 PRO 72 LEU 73 SER 74 ARG 75 ALA 76 GLU 77 LYS 78 ALA 79 ALA 80 TYR 81 VAL 82 LYS 83 SER 84 LEU 85 SER 86 LYS 87 CYS 88 LYS 89 THR 90 ASP 91 GLN 92 GLU 93 VAL 94 LYS 95 ALA 96 VAL 97 MET 98 GLU 99 LEU 100 VAL 101 GLU 102 GLU 103 ASP 104 ILE 105 GLU 106 SER 107 LEU 108 THR 109 ASN 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 DBJ BAD74220 "phosphoprotein [Sendai virus]" 87.16 568 98.95 98.95 9.18e-56 DBJ BAD74226 "phosphoprotein [Sendai virus]" 87.16 568 97.89 97.89 6.19e-54 DBJ BAF73480 "phosphoprotein [Sendai virus]" 87.16 568 98.95 98.95 9.37e-56 DBJ BAF73486 "phosphoprotein [Sendai virus]" 87.16 568 97.89 97.89 6.13e-54 DBJ BAH59026 "phosphoprotein [Sendai virus]" 87.16 568 98.95 98.95 9.37e-56 EMBL CAA24946 "unnamed protein product [Human parainfluenza virus 1]" 87.16 568 100.00 100.00 2.43e-56 EMBL CAA34867 "unnamed protein product [Human parainfluenza virus 1]" 87.16 568 98.95 98.95 1.02e-55 EMBL CAA34870 "unnamed protein product [Human parainfluenza virus 1]" 87.16 95 98.95 98.95 9.50e-60 EMBL CAA34871 "unnamed protein product [Human parainfluenza virus 1]" 87.16 568 98.95 100.00 8.72e-56 EMBL CAA34875 "unnamed protein product [Human parainfluenza virus 1]" 87.16 95 98.95 100.00 1.16e-59 GB AAB06197 "phosphoprotein [Sendai virus]" 87.16 568 100.00 100.00 2.48e-56 GB AAB06279 "phosphoprotein [Sendai virus]" 87.16 568 100.00 100.00 2.48e-56 GB AAB06285 "phosphoprotein [Sendai virus]" 87.16 568 100.00 100.00 2.67e-56 GB AAB06291 "phosphoprotein [Sendai virus]" 87.16 568 100.00 100.00 2.67e-56 GB AAX07439 "P protein [Sendai virus]" 87.16 568 98.95 98.95 1.81e-54 SP P04859 "RecName: Full=Phosphoprotein; Short=Protein P [Sendai virus (strain Harris)]" 87.16 568 100.00 100.00 2.76e-56 SP P04860 "RecName: Full=Phosphoprotein; Short=Protein P [Sendai virus (Z)]" 87.16 568 100.00 100.00 2.43e-56 SP P14251 "RecName: Full=Phosphoprotein; Short=Protein P [Sendai virus (strain 6/94)]" 87.16 568 98.95 98.95 1.02e-55 SP P14252 "RecName: Full=Phosphoprotein; Short=Protein P [Sendai virus (strain Fushimi)]" 87.16 568 98.95 100.00 8.72e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $X-protein 'Sendai virus (strain Harris)' 11196 . . Paramyxovirus 'Sendai virus' phosphoprotein 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 $X-protein 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' . 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 $X-protein 1.3 mM '[U-15N; U-13C]' 'potassium phosphate' 50 mM . NaCl 0.5 M . DTT 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . loop_ _Task 'data processing' 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_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_MQ-HNCOCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name MQ-HNCOCA _Sample_label . save_ save_MQ-COHNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name MQ-COHNCA _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_(HCA)CO(CA)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_H(CC)(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH-TOCSY _Sample_label . save_ save_(H)CC(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label . save_ save_HC(C)H-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name MQ-HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name MQ-COHNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 . M pH 6.0 0.2 n/a temperature 298 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name X-protein _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 HA H 4.43 0.05 1 2 . 2 ARG HB2 H 1.90 0.05 2 3 . 2 ARG HB3 H 1.85 0.05 2 4 . 2 ARG HG2 H 1.71 0.05 1 5 . 2 ARG HG3 H 1.71 0.05 1 6 . 2 ARG HD2 H 3.23 0.05 1 7 . 2 ARG HD3 H 3.23 0.05 1 8 . 2 ARG CA C 56.7 0.2 1 9 . 2 ARG CB C 30.8 0.2 1 10 . 2 ARG CG C 27.2 0.2 1 11 . 2 ARG CD C 43.5 0.2 1 12 . 3 GLY H H 8.62 0.02 1 13 . 3 GLY HA2 H 4.03 0.05 1 14 . 3 GLY HA3 H 4.03 0.05 1 15 . 3 GLY C C 174.0 0.2 1 16 . 3 GLY CA C 45.3 0.2 1 17 . 3 GLY N N 111.1 0.2 1 18 . 4 SER H H 8.21 0.02 1 19 . 4 SER HA H 4.42 0.05 1 20 . 4 SER HB2 H 3.81 0.05 1 21 . 4 SER HB3 H 3.81 0.05 1 22 . 4 SER C C 174.5 0.2 1 23 . 4 SER CA C 58.3 0.2 1 24 . 4 SER CB C 64.0 0.2 1 25 . 4 SER N N 115.3 0.2 1 26 . 5 HIS H H 8.5 0.2 1 27 . 5 HIS HA H 4.66 0.05 1 28 . 5 HIS HB2 H 3.19 0.05 2 29 . 5 HIS HB3 H 3.10 0.05 2 30 . 5 HIS C C 174.4 0.2 1 31 . 5 HIS CA C 55.7 0.2 1 32 . 5 HIS CB C 29.6 0.2 1 33 . 5 HIS N N 120.5 0.2 1 34 . 10 HIS HA H 4.71 0.05 1 35 . 10 HIS HB2 H 3.20 0.05 1 36 . 10 HIS HB3 H 3.20 0.05 1 37 . 10 HIS CA C 55.9 0.2 1 38 . 10 HIS CB C 29.6 0.2 1 39 . 11 ILE H H 8.27 0.02 1 40 . 11 ILE HA H 4.16 0.05 1 41 . 11 ILE HB H 1.81 0.05 1 42 . 11 ILE HG12 H 1.43 0.05 2 43 . 11 ILE HG13 H 1.14 0.05 2 44 . 11 ILE HG2 H 0.87 0.05 1 45 . 11 ILE HD1 H 0.83 0.05 1 46 . 11 ILE C C 175.9 0.2 1 47 . 11 ILE CA C 61.1 0.2 1 48 . 11 ILE CB C 38.9 0.2 1 49 . 11 ILE CG1 C 27.3 0.2 1 50 . 11 ILE CG2 C 17.6 0.2 1 51 . 11 ILE CD1 C 13.1 0.2 1 52 . 11 ILE N N 123.4 0.2 1 53 . 12 GLU H H 8.57 0.02 1 54 . 12 GLU HA H 4.30 0.05 1 55 . 12 GLU HB2 H 2.08 0.05 2 56 . 12 GLU HB3 H 1.98 0.05 2 57 . 12 GLU HG2 H 2.32 0.05 1 58 . 12 GLU HG3 H 2.32 0.05 1 59 . 12 GLU C C 176.9 0.2 1 60 . 12 GLU CA C 56.8 0.2 1 61 . 12 GLU CB C 30.3 0.2 1 62 . 12 GLU CG C 36.2 0.2 1 63 . 12 GLU N N 125.4 0.2 1 64 . 13 GLY H H 8.46 0.02 1 65 . 13 GLY HA2 H 3.99 0.05 1 66 . 13 GLY HA3 H 3.99 0.05 1 67 . 13 GLY C C 174.2 0.2 1 68 . 13 GLY CA C 45.6 0.2 1 69 . 13 GLY N N 110.5 0.2 1 70 . 14 ARG H H 8.18 0.02 1 71 . 14 ARG HA H 4.36 0.05 1 72 . 14 ARG HB2 H 1.89 0.05 2 73 . 14 ARG HB3 H 1.80 0.05 2 74 . 14 ARG HG2 H 1.63 0.05 1 75 . 14 ARG HG3 H 1.63 0.05 1 76 . 14 ARG HD2 H 3.21 0.05 1 77 . 14 ARG HD3 H 3.21 0.05 1 78 . 14 ARG C C 176.4 0.2 1 79 . 14 ARG CA C 56.2 0.2 1 80 . 14 ARG CB C 30.9 0.2 1 81 . 14 ARG CG C 27.2 0.2 1 82 . 14 ARG CD C 43.5 0.2 1 83 . 14 ARG N N 120.3 0.2 1 84 . 15 MET H H 8.41 0.02 1 85 . 15 MET HA H 4.45 0.05 1 86 . 15 MET HB2 H 2.02 0.05 2 87 . 15 MET HB3 H 1.96 0.05 2 88 . 15 MET HG2 H 2.58 0.05 2 89 . 15 MET HG3 H 2.52 0.05 2 90 . 15 MET C C 175.8 0.2 1 91 . 15 MET CA C 55.6 0.2 1 92 . 15 MET CB C 32.7 0.2 1 93 . 15 MET CG C 32.2 0.2 1 94 . 15 MET N N 121.2 0.2 1 95 . 16 LYS H H 8.27 0.02 1 96 . 16 LYS HA H 4.44 0.05 1 97 . 16 LYS HD2 H 2.44 0.05 2 98 . 16 LYS C C 175.5 0.2 1 99 . 16 LYS CA C 55.5 0.2 1 100 . 16 LYS CB C 32.9 0.2 1 101 . 16 LYS CD C 32.0 0.2 1 102 . 16 LYS N N 121.1 0.2 1 103 . 17 TYR H H 8.14 0.02 1 104 . 17 TYR HA H 4.60 0.05 1 105 . 17 TYR HB2 H 3.05 0.05 2 106 . 17 TYR HB3 H 2.96 0.05 2 107 . 17 TYR C C 175.0 0.2 1 108 . 17 TYR CA C 57.7 0.2 1 109 . 17 TYR CB C 39.0 0.2 1 110 . 17 TYR N N 121.4 0.2 1 111 . 18 LYS H H 8.09 0.02 1 112 . 18 LYS HA H 4.57 0.05 1 113 . 18 LYS HB2 H 1.87 0.05 2 114 . 18 LYS HB3 H 1.78 0.05 2 115 . 18 LYS HG2 H 1.52 0.05 1 116 . 18 LYS HG3 H 1.52 0.05 1 117 . 18 LYS HD2 H 1.73 0.05 1 118 . 18 LYS HD3 H 1.73 0.05 1 119 . 18 LYS HE2 H 3.04 0.05 1 120 . 18 LYS HE3 H 3.04 0.05 1 121 . 18 LYS C C 174.1 0.05 1 122 . 18 LYS CA C 53.9 0.2 1 123 . 18 LYS CB C 32.9 0.2 1 124 . 18 LYS CG C 24.8 0.2 1 125 . 18 LYS CD C 29.4 0.2 1 126 . 18 LYS CE C 42.1 0.2 1 127 . 18 LYS N N 124.8 0.2 1 128 . 19 PRO HA H 4.36 0.05 1 129 . 19 PRO HB2 H 2.30 0.05 2 130 . 19 PRO HB3 H 1.93 0.05 2 131 . 19 PRO HG2 H 1.99 0.05 1 132 . 19 PRO HG3 H 1.99 0.05 1 133 . 19 PRO HD2 H 3.59 0.05 1 134 . 19 PRO HD3 H 3.59 0.05 1 135 . 19 PRO C C 176.6 0.2 1 136 . 19 PRO CA C 63.5 0.2 1 137 . 19 PRO CB C 32.1 0.2 1 138 . 19 PRO CG C 27.3 0.2 1 139 . 19 PRO CD C 50.7 0.2 1 140 . 20 ASP H H 8.37 0.02 1 141 . 20 ASP HA H 4.56 0.05 1 142 . 20 ASP HB2 H 2.72 0.05 2 143 . 20 ASP HB3 H 2.63 0.05 2 144 . 20 ASP C C 176.1 0.2 1 145 . 20 ASP CA C 54.5 0.2 1 146 . 20 ASP CB C 40.9 0.2 1 147 . 20 ASP N N 119.2 0.2 1 148 . 21 LEU H H 7.99 0.02 1 149 . 21 LEU HA H 4.35 0.05 1 150 . 21 LEU HB2 H 1.62 0.05 1 151 . 21 LEU HB3 H 1.62 0.05 1 152 . 21 LEU HG H 1.62 0.05 1 153 . 21 LEU HD1 H 0.93 0.05 2 154 . 21 LEU HD2 H 0.87 0.05 2 155 . 21 LEU C C 177.1 0.2 1 156 . 21 LEU CA C 55.4 0.2 1 157 . 21 LEU CB C 42.5 0.2 1 158 . 21 LEU CG C 27.1 0.2 1 159 . 21 LEU CD1 C 25.1 0.2 2 160 . 21 LEU CD2 C 23.1 0.2 2 161 . 21 LEU N N 121.6 0.2 1 162 . 22 ILE H H 8.05 0.02 1 163 . 22 ILE HA H 4.16 0.05 1 164 . 22 ILE HB H 1.90 0.05 1 165 . 22 ILE HG12 H 1.49 0.05 2 166 . 22 ILE HG13 H 1.20 0.05 2 167 . 22 ILE HG2 H 0.90 0.05 1 168 . 22 ILE HD1 H 0.86 0.05 1 169 . 22 ILE C C 176.2 0.2 1 170 . 22 ILE CA C 61.2 0.2 1 171 . 22 ILE CB C 38.4 0.2 1 172 . 22 ILE CG1 C 27.3 0.2 1 173 . 22 ILE CG2 C 17.6 0.2 1 174 . 22 ILE CD1 C 12.9 0.2 1 175 . 22 ILE N N 121.7 0.2 1 176 . 23 ARG H H 8.38 0.02 1 177 . 23 ARG HA H 4.39 0.05 1 178 . 23 ARG HB2 H 1.90 0.05 2 179 . 23 ARG HB3 H 1.78 0.05 2 180 . 23 ARG HG2 H 1.66 0.05 2 181 . 23 ARG HG3 H 1.62 0.05 2 182 . 23 ARG HD2 H 3.21 0.05 1 183 . 23 ARG HD3 H 3.21 0.05 1 184 . 23 ARG C C 176.5 0.2 1 185 . 23 ARG CA C 56.1 0.2 1 186 . 23 ARG CB C 31.1 0.2 1 187 . 23 ARG CG C 27.3 0.2 1 188 . 23 ARG CD C 43.4 0.2 1 189 . 23 ARG N N 125.1 0.2 1 190 . 24 GLU H H 8.54 0.02 1 191 . 24 GLU HA H 4.25 0.05 1 192 . 24 GLU HB2 H 2.09 0.05 2 193 . 24 GLU HB3 H 1.98 0.05 2 194 . 24 GLU HG2 H 2.31 0.05 1 195 . 24 GLU HG3 H 2.31 0.05 1 196 . 24 GLU C C 176.4 0.2 1 197 . 24 GLU CA C 57.2 0.2 1 198 . 24 GLU CB C 30.2 0.2 1 199 . 24 GLU CG C 36.3 0.2 1 200 . 24 GLU N N 122.1 0.2 1 201 . 25 ASP H H 8.36 0.02 1 202 . 25 ASP HA H 4.57 0.05 1 203 . 25 ASP HB2 H 2.68 0.05 1 204 . 25 ASP HB3 H 2.68 0.05 1 205 . 25 ASP C C 176.4 0.2 1 206 . 25 ASP CA C 54.7 0.2 1 207 . 25 ASP CB C 41.1 0.2 1 208 . 25 ASP N N 120.2 0.2 1 209 . 26 GLU H H 8.20 0.02 1 210 . 26 GLU HA H 4.18 0.05 1 211 . 26 GLU HB2 H 1.90 0.05 1 212 . 26 GLU HB3 H 1.90 0.05 1 213 . 26 GLU HG2 H 2.14 0.05 2 214 . 26 GLU HG3 H 2.05 0.05 2 215 . 26 GLU C C 176.3 0.2 1 216 . 26 GLU CA C 57.1 0.2 1 217 . 26 GLU CB C 30.2 0.2 1 218 . 26 GLU CG C 36.1 0.2 1 219 . 26 GLU N N 120.5 0.2 1 220 . 27 PHE H H 8.19 0.02 1 221 . 27 PHE HA H 4.63 0.05 1 222 . 27 PHE HB2 H 3.19 0.05 2 223 . 27 PHE HB3 H 3.03 0.05 2 224 . 27 PHE C C 175.8 0.2 1 225 . 27 PHE CA C 57.9 0.2 1 226 . 27 PHE CB C 39.2 0.2 1 227 . 27 PHE N N 120.2 0.2 1 228 . 28 ARG H H 8.02 0.02 1 229 . 28 ARG HA H 4.29 0.05 1 230 . 28 ARG HB2 H 1.87 0.05 2 231 . 28 ARG HB3 H 1.77 0.05 2 232 . 28 ARG HG2 H 1.60 0.05 1 233 . 28 ARG HG3 H 1.60 0.05 1 234 . 28 ARG HD2 H 3.21 0.05 1 235 . 28 ARG HD3 H 3.21 0.05 1 236 . 28 ARG C C 176.1 0.2 1 237 . 28 ARG CA C 56.2 0.2 1 238 . 28 ARG CB C 31.1 0.2 1 239 . 28 ARG CG C 27.1 0.2 1 240 . 28 ARG CD C 43.5 0.2 1 241 . 28 ARG N N 122.2 0.2 1 242 . 29 ASP H H 8.29 0.02 1 243 . 29 ASP HA H 4.57 0.05 1 244 . 29 ASP HB2 H 2.75 0.05 2 245 . 29 ASP HB3 H 2.62 0.05 2 246 . 29 ASP C C 176.2 0.2 1 247 . 29 ASP CA C 54.7 0.2 1 248 . 29 ASP CB C 41.3 0.2 1 249 . 29 ASP N N 121.5 0.2 1 250 . 30 GLU H H 8.33 0.02 1 251 . 30 GLU HA H 4.28 0.05 1 252 . 30 GLU HB2 H 2.07 0.05 2 253 . 30 GLU HB3 H 1.96 0.05 2 254 . 30 GLU HG2 H 2.30 0.05 2 255 . 30 GLU HG3 H 2.25 0.05 2 256 . 30 GLU C C 176.4 0.2 1 257 . 30 GLU CA C 56.8 0.2 1 258 . 30 GLU CB C 30.3 0.2 1 259 . 30 GLU CG C 36.15 0.2 1 260 . 30 GLU N N 120.7 0.2 1 261 . 31 ILE H H 8.09 0.02 1 262 . 31 ILE HA H 4.12 0.05 1 263 . 31 ILE HB H 1.90 0.05 1 264 . 31 ILE HG12 H 1.49 0.05 1 265 . 31 ILE HG13 H 1.21 0.05 1 266 . 31 ILE HG2 H 0.89 0.05 1 267 . 31 ILE HD1 H 0.86 0.05 1 268 . 31 ILE C C 176.3 0.2 1 269 . 31 ILE CA C 61.4 0.2 1 270 . 31 ILE CB C 38.2 0.2 1 271 . 31 ILE CG1 C 27.6 0.2 1 272 . 31 ILE CG2 C 17.6 0.2 1 273 . 31 ILE CD1 C 12.9 0.2 1 274 . 31 ILE N N 121.3 0.2 1 275 . 32 ARG H H 8.27 0.02 1 276 . 32 ARG HA H 4.35 0.05 1 277 . 32 ARG HB2 H 1.84 0.05 2 278 . 32 ARG HB3 H 1.76 0.05 2 279 . 32 ARG HG2 H 1.63 0.05 2 280 . 32 ARG HG3 H 1.59 0.05 2 281 . 32 ARG HD2 H 3.18 0.05 1 282 . 32 ARG HD3 H 3.18 0.05 1 283 . 32 ARG C C 175.7 0.2 1 284 . 32 ARG CA C 56.0 0.2 1 285 . 32 ARG CB C 31.0 0.2 1 286 . 32 ARG CG C 27.3 0.2 1 287 . 32 ARG CD C 43.4 0.2 1 288 . 32 ARG N N 124.2 0.2 1 289 . 33 ASN H H 8.38 0.02 1 290 . 33 ASN HA H 4.98 0.05 1 291 . 33 ASN HB2 H 2.84 0.05 2 292 . 33 ASN HB3 H 2.72 0.05 2 293 . 33 ASN HD21 H 7.67 0.02 1 294 . 33 ASN HD22 H 6.93 0.02 1 295 . 33 ASN C C 173.2 0.2 1 296 . 33 ASN CA C 51.1 0.2 1 297 . 33 ASN CB C 39.0 0.2 1 298 . 33 ASN N N 120.7 0.2 1 299 . 33 ASN ND2 N 113.3 0.2 1 300 . 34 PRO HA H 4.43 0.05 1 301 . 34 PRO HB2 H 2.25 0.05 2 302 . 34 PRO HB3 H 1.81 0.05 2 303 . 34 PRO HG2 H 2.01 0.05 1 304 . 34 PRO HG3 H 2.01 0.05 1 305 . 34 PRO HD2 H 3.75 0.05 1 306 . 34 PRO HD3 H 3.75 0.05 1 307 . 34 PRO C C 176.8 0.2 1 308 . 34 PRO CA C 63.5 0.2 1 309 . 34 PRO CB C 32.2 0.2 1 310 . 34 PRO CG C 27.4 0.2 1 311 . 34 PRO CD C 50.8 0.2 1 312 . 35 VAL H H 8.08 0.02 1 313 . 35 VAL HA H 4.03 0.05 1 314 . 35 VAL HB H 1.99 0.05 1 315 . 35 VAL HG1 H 0.91 0.05 1 316 . 35 VAL HG2 H 0.84 0.05 1 317 . 35 VAL C C 176.1 0.2 1 318 . 35 VAL CA C 62.6 0.2 1 319 . 35 VAL CB C 32.6 0.2 1 320 . 35 VAL CG1 C 21.0 0.2 1 321 . 35 VAL CG2 C 21.0 0.2 1 322 . 35 VAL N N 119.3 0.2 1 323 . 36 TYR H H 8.09 0.02 1 324 . 36 TYR HA H 4.60 0.05 1 325 . 36 TYR HB2 H 3.07 0.05 2 326 . 36 TYR HB3 H 2.96 0.05 2 327 . 36 TYR C C 175.6 0.2 1 328 . 36 TYR CA C 57.9 0.2 1 329 . 36 TYR CB C 38.8 0.2 1 330 . 36 TYR N N 123.2 0.2 1 331 . 37 GLN H H 8.13 0.02 1 332 . 37 GLN HA H 4.31 0.05 1 333 . 37 GLN HB2 H 2.05 0.05 2 334 . 37 GLN HB3 H 1.94 0.05 2 335 . 37 GLN HG2 H 2.31 0.05 1 336 . 37 GLN HG3 H 2.31 0.05 1 337 . 37 GLN HE21 H 7.53 0.02 2 338 . 37 GLN HE22 H 6.85 0.02 2 339 . 37 GLN C C 175.4 0.2 1 340 . 37 GLN CA C 55.6 0.2 1 341 . 37 GLN CB C 29.9 0.2 1 342 . 37 GLN CG C 33.8 0.2 1 343 . 37 GLN N N 122.4 0.2 1 344 . 37 GLN NE2 N 112.5 0.2 1 345 . 38 GLU H H 8.38 0.02 1 346 . 38 GLU HA H 4.25 0.05 1 347 . 38 GLU HB2 H 2.07 0.05 2 348 . 38 GLU HB3 H 1.97 0.05 2 349 . 38 GLU HG2 H 2.31 0.05 1 350 . 38 GLU HG3 H 2.31 0.05 1 351 . 38 GLU C C 176.5 0.2 1 352 . 38 GLU CA C 56.8 0.2 1 353 . 38 GLU CB C 30.1 0.2 1 354 . 38 GLU CG C 36.3 0.2 1 355 . 38 GLU N N 122.5 0.2 1 356 . 39 ARG H H 8.34 0.02 1 357 . 39 ARG HA H 4.38 0.05 1 358 . 39 ARG HB2 H 1.89 0.05 2 359 . 39 ARG HB3 H 1.80 0.05 2 360 . 39 ARG HG2 H 1.66 0.05 1 361 . 39 ARG HG3 H 1.66 0.05 1 362 . 39 ARG HD2 H 3.21 0.05 1 363 . 39 ARG HD3 H 3.21 0.05 1 364 . 39 ARG C C 175.8 0.2 1 365 . 39 ARG CA C 56.4 0.2 1 366 . 39 ARG CB C 31.0 0.2 1 367 . 39 ARG CG C 27.2 0.2 1 368 . 39 ARG CD C 43.51 0.2 1 369 . 39 ARG N N 121.7 0.2 1 370 . 40 ASP H H 8.46 0.02 1 371 . 40 ASP HA H 4.68 0.05 1 372 . 40 ASP HB2 H 2.77 0.05 2 373 . 40 ASP HB3 H 2.68 0.05 2 374 . 40 ASP C C 176.4 0.2 1 375 . 40 ASP CA C 54.6 0.2 1 376 . 40 ASP CB C 41.1 0.2 1 377 . 40 ASP N N 121.3 0.2 1 378 . 41 THR H H 8.04 0.02 1 379 . 41 THR HA H 4.33 0.05 1 380 . 41 THR HB H 4.27 0.05 1 381 . 41 THR HG2 H 1.20 0.05 1 382 . 41 THR C C 174.5 0.2 1 383 . 41 THR CA C 61.7 0.2 1 384 . 41 THR CB C 69.9 0.2 1 385 . 41 THR CG2 C 21.8 0.2 1 386 . 41 THR N N 113.4 0.2 1 387 . 42 GLU H H 8.29 0.02 1 388 . 42 GLU HA H 4.62 0.05 1 389 . 42 GLU HB2 H 2.08 0.05 2 390 . 42 GLU HB3 H 1.97 0.05 2 391 . 42 GLU HG2 H 2.31 0.05 1 392 . 42 GLU HG3 H 2.31 0.05 1 393 . 42 GLU C C 177.1 0.2 1 394 . 42 GLU CA C 54.3 0.2 1 395 . 42 GLU CB C 29.7 0.2 1 396 . 42 GLU CG C 35.9 0.2 1 397 . 42 GLU N N 124.3 0.2 1 398 . 43 PRO HA H 4.44 0.05 1 399 . 43 PRO HB2 H 2.31 0.05 2 400 . 43 PRO HB3 H 1.93 0.05 2 401 . 43 PRO HG2 H 2.04 0.05 1 402 . 43 PRO HG3 H 2.04 0.05 1 403 . 43 PRO HD2 H 3.83 0.05 2 404 . 43 PRO HD3 H 3.72 0.05 2 405 . 43 PRO C C 177.0 0.2 1 406 . 43 PRO CA C 63.4 0.2 1 407 . 43 PRO CB C 32.0 0.2 1 408 . 43 PRO CG C 27.4 0.2 1 409 . 43 PRO CD C 50.8 0.2 1 410 . 44 ARG H H 8.44 0.02 1 411 . 44 ARG HA H 4.35 0.05 1 412 . 44 ARG HB2 H 1.89 0.05 2 413 . 44 ARG HB3 H 1.80 0.05 2 414 . 44 ARG HG2 H 1.69 0.05 1 415 . 44 ARG HG3 H 1.69 0.05 1 416 . 44 ARG HD2 H 3.23 0.05 1 417 . 44 ARG HD3 H 3.23 0.05 1 418 . 44 ARG C C 176.3 0.2 1 419 . 44 ARG CA C 56.1 0.2 1 420 . 44 ARG CB C 30.9 0.2 1 421 . 44 ARG CG C 27.3 0.2 1 422 . 44 ARG CD C 43.5 0.2 1 423 . 44 ARG N N 121.4 0.2 1 424 . 45 ALA H H 8.38 0.02 1 425 . 45 ALA HA H 4.36 0.05 1 426 . 45 ALA HB H 1.43 0.05 1 427 . 45 ALA C C 178.0 0.2 1 428 . 45 ALA CA C 52.7 0.2 1 429 . 45 ALA CB C 19.3 0.2 1 430 . 45 ALA N N 125.3 0.2 1 431 . 46 SER H H 8.34 0.02 1 432 . 46 SER HA H 4.45 0.05 1 433 . 46 SER HB2 H 3.95 0.05 2 434 . 46 SER HB3 H 3.89 0.05 2 435 . 46 SER C C 174.7 0.2 1 436 . 46 SER CA C 58.5 0.2 1 437 . 46 SER CB C 63.8 0.2 1 438 . 46 SER N N 115.1 0.2 1 439 . 47 ASN H H 8.45 0.02 1 440 . 47 ASN HA H 4.74 0.05 1 441 . 47 ASN HB2 H 2.86 0.05 1 442 . 47 ASN HB3 H 2.86 0.05 1 443 . 47 ASN HD21 H 7.64 0.02 2 444 . 47 ASN HD22 H 6.96 0.02 2 445 . 47 ASN C C 175.3 0.2 1 446 . 47 ASN CA C 53.5 0.2 1 447 . 47 ASN CB C 38.8 0.2 1 448 . 47 ASN N N 120.7 0.2 1 449 . 47 ASN ND2 N 113.1 0.2 1 450 . 48 ALA H H 8.22 0.02 1 451 . 48 ALA HA H 4.31 0.05 1 452 . 48 ALA HB H 1.43 0.05 1 453 . 48 ALA C C 178.0 0.2 1 454 . 48 ALA CA C 53.2 0.2 1 455 . 48 ALA CB C 19.2 0.2 1 456 . 48 ALA N N 123.9 0.2 1 457 . 49 SER H H 8.23 0.02 1 458 . 49 SER HA H 4.42 0.05 1 459 . 49 SER HB2 H 3.91 0.05 1 460 . 49 SER HB3 H 3.91 0.05 1 461 . 49 SER C C 174.8 0.2 1 462 . 49 SER CA C 58.8 0.2 1 463 . 49 SER CB C 63.7 0.2 1 464 . 49 SER N N 114.5 0.2 1 465 . 50 ARG H H 8.18 0.02 1 466 . 50 ARG HA H 4.36 0.05 1 467 . 50 ARG HB2 H 1.90 0.05 2 468 . 50 ARG HB3 H 1.80 0.05 2 469 . 50 ARG HG2 H 1.66 0.05 1 470 . 50 ARG HG3 H 1.66 0.05 1 471 . 50 ARG HD2 H 3.22 0.05 1 472 . 50 ARG HD3 H 3.22 0.05 1 473 . 50 ARG C C 176.0 0.2 1 474 . 50 ARG CA C 56.3 0.2 1 475 . 50 ARG CB C 30.7 0.2 1 476 . 50 ARG CG C 27.2 0.2 1 477 . 50 ARG CD C 43.5 0.2 1 478 . 50 ARG N N 122.5 0.2 1 479 . 51 LEU H H 8.13 0.02 1 480 . 51 LEU HA H 4.36 0.05 1 481 . 51 LEU HB2 H 1.63 0.05 2 482 . 51 LEU HB3 H 1.59 0.05 2 483 . 51 LEU HG H 1.63 0.05 1 484 . 51 LEU HD1 H 0.92 0.05 2 485 . 51 LEU HD2 H 0.86 0.05 2 486 . 51 LEU C C 176.8 0.2 1 487 . 51 LEU CA C 55.1 0.2 1 488 . 51 LEU CB C 42.4 0.2 1 489 . 51 LEU CG C 27.1 0.2 1 490 . 51 LEU CD1 C 25.0 0.2 2 491 . 51 LEU CD2 C 23.6 0.2 2 492 . 51 LEU N N 122.4 0.2 1 493 . 52 LEU H H 8.09 0.02 1 494 . 52 LEU HA H 4.66 0.05 1 495 . 52 LEU HB2 H 1.64 0.05 2 496 . 52 LEU HB3 H 1.58 0.05 2 497 . 52 LEU HG H 1.70 0.05 1 498 . 52 LEU HD1 H 0.96 0.05 2 499 . 52 LEU HD2 H 0.93 0.05 2 500 . 52 LEU C C 175.1 0.2 1 501 . 52 LEU CA C 52.7 0.2 1 502 . 52 LEU CB C 42.0 0.2 1 503 . 52 LEU CG C 27.4 0.2 1 504 . 52 LEU CD1 C 25.3 0.2 2 505 . 52 LEU CD2 C 23.5 0.2 2 506 . 52 LEU N N 123.8 0.2 1 507 . 53 PRO HA H 4.46 0.05 1 508 . 53 PRO HB2 H 2.33 0.05 2 509 . 53 PRO HB3 H 1.95 0.05 2 510 . 53 PRO HG2 H 2.05 0.05 1 511 . 53 PRO HG3 H 2.05 0.05 1 512 . 53 PRO HD2 H 3.85 0.05 2 513 . 53 PRO HD3 H 3.67 0.05 2 514 . 53 PRO C C 177.0 0.2 1 515 . 53 PRO CA C 63.3 0.2 1 516 . 53 PRO CB C 32.1 0.2 1 517 . 53 PRO CG C 27.5 0.2 1 518 . 53 PRO CD C 50.6 0.2 1 519 . 54 SER H H 8.33 0.02 1 520 . 54 SER HA H 4.45 0.05 1 521 . 54 SER HB2 H 3.94 0.05 2 522 . 54 SER HB3 H 3.87 0.05 2 523 . 54 SER C C 174.8 0.2 1 524 . 54 SER CA C 58.1 0.2 1 525 . 54 SER CB C 63.9 0.2 1 526 . 54 SER N N 115.9 0.2 1 527 . 55 LYS H H 8.37 0.02 1 528 . 55 LYS HA H 4.35 0.05 1 529 . 55 LYS HB2 H 1.90 0.05 2 530 . 55 LYS HB3 H 1.80 0.05 2 531 . 55 LYS HG2 H 1.46 0.05 1 532 . 55 LYS HG3 H 1.46 0.05 1 533 . 55 LYS HD2 H 1.72 0.05 1 534 . 55 LYS HD3 H 1.72 0.05 1 535 . 55 LYS HE2 H 3.03 0.05 1 536 . 55 LYS HE3 H 3.03 0.05 1 537 . 55 LYS C C 176.5 0.2 1 538 . 55 LYS CA C 56.5 0.2 1 539 . 55 LYS CB C 32.9 0.2 1 540 . 55 LYS CG C 24.9 0.2 1 541 . 55 LYS CD C 29.1 0.2 1 542 . 55 LYS CE C 42.2 0.2 1 543 . 55 LYS N N 122.7 0.2 1 544 . 56 GLU H H 8.24 0.02 1 545 . 56 GLU HA H 4.32 0.05 1 546 . 56 GLU HB2 H 2.05 0.05 2 547 . 56 GLU HB3 H 1.93 0.05 2 548 . 56 GLU HG2 H 2.28 0.05 1 549 . 56 GLU HG3 H 2.28 0.05 1 550 . 56 GLU C C 176.1 0.2 1 551 . 56 GLU CA C 56.3 0.2 1 552 . 56 GLU CB C 30.6 0.2 1 553 . 56 GLU CG C 36.3 0.2 1 554 . 56 GLU N N 121.2 0.2 1 555 . 57 LYS H H 8.40 0.02 1 556 . 57 LYS HA H 4.57 0.05 1 557 . 57 LYS HB2 H 1.81 0.05 2 558 . 57 LYS HB3 H 1.70 0.05 2 559 . 57 LYS HG2 H 1.40 0.05 1 560 . 57 LYS HG3 H 1.40 0.05 1 561 . 57 LYS HD2 H 1.70 0.05 1 562 . 57 LYS HD3 H 1.70 0.05 1 563 . 57 LYS HE2 H 3.01 0.05 1 564 . 57 LYS HE3 H 3.01 0.05 1 565 . 57 LYS C C 174.7 0.2 1 566 . 57 LYS CA C 54.4 0.2 1 567 . 57 LYS CB C 32.3 0.2 1 568 . 57 LYS CG C 24.7 0.2 1 569 . 57 LYS CD C 29.4 0.2 1 570 . 57 LYS CE C 42.1 0.2 1 571 . 57 LYS N N 123.9 0.2 1 572 . 58 PRO HA H 4.54 0.05 1 573 . 58 PRO HB2 H 2.32 0.05 2 574 . 58 PRO HB3 H 1.89 0.05 2 575 . 58 PRO HG2 H 2.06 0.05 1 576 . 58 PRO HG3 H 2.06 0.05 1 577 . 58 PRO HD2 H 3.86 0.05 2 578 . 58 PRO HD3 H 3.73 0.05 2 579 . 58 PRO C C 177.2 0.2 1 580 . 58 PRO CA C 63.5 0.2 1 581 . 58 PRO CB C 32.1 0.2 1 582 . 58 PRO CG C 27.6 0.2 1 583 . 58 PRO CD C 50.7 0.2 1 584 . 59 THR H H 8.24 0.02 1 585 . 59 THR HA H 4.45 0.05 1 586 . 59 THR HB H 4.57 0.05 1 587 . 59 THR HG2 H 1.37 0.05 1 588 . 59 THR C C 175.7 0.2 1 589 . 59 THR CA C 61.4 0.2 1 590 . 59 THR CB C 70.9 0.2 1 591 . 59 THR CG2 C 22.1 0.2 1 592 . 59 THR N N 112.2 0.2 1 593 . 60 MET H H 8.70 0.02 1 594 . 60 MET HA H 4.33 0.05 1 595 . 60 MET HB2 H 2.22 0.05 2 596 . 60 MET HB3 H 2.11 0.05 2 597 . 60 MET HG2 H 2.67 0.05 1 598 . 60 MET HG3 H 2.67 0.05 1 599 . 60 MET C C 178.2 0.2 1 600 . 60 MET CA C 58.1 0.2 1 601 . 60 MET CB C 31.6 0.2 1 602 . 60 MET CG C 32.8 0.2 1 603 . 60 MET N N 121.0 0.2 1 604 . 61 HIS H H 8.46 0.02 1 605 . 61 HIS HA H 4.33 0.05 1 606 . 61 HIS HB2 H 3.31 0.05 2 607 . 61 HIS HB3 H 3.22 0.05 2 608 . 61 HIS C C 176.8 0.05 1 609 . 61 HIS CA C 59.4 0.05 1 610 . 61 HIS CB C 29.2 0.05 1 611 . 61 HIS N N 117.6 0.05 1 612 . 62 SER H H 8.16 0.02 1 613 . 62 SER HA H 4.10 0.05 1 614 . 62 SER HB2 H 4.03 0.05 2 615 . 62 SER HB3 H 3.98 0.05 2 616 . 62 SER C C 177.0 0.2 1 617 . 62 SER CA C 61.7 0.2 1 618 . 62 SER CB C 62.6 0.2 1 619 . 62 SER N N 115.5 0.2 1 620 . 63 LEU H H 8.03 0.02 1 621 . 63 LEU HA H 4.13 0.05 1 622 . 63 LEU HB2 H 1.87 0.05 2 623 . 63 LEU HB3 H 1.75 0.05 2 624 . 63 LEU HD1 H 0.88 0.05 1 625 . 63 LEU HD2 H 0.88 0.05 1 626 . 63 LEU C C 178.9 0.2 1 627 . 63 LEU CA C 57.7 0.2 1 628 . 63 LEU CB C 41.0 0.2 1 629 . 63 LEU CD1 C 25.8 0.2 2 630 . 63 LEU CD2 C 22.9 0.2 2 631 . 63 LEU N N 123.5 0.2 1 632 . 64 ARG H H 8.28 0.02 1 633 . 64 ARG HA H 3.79 0.05 1 634 . 64 ARG HB2 H 1.99 0.05 2 635 . 64 ARG HB3 H 1.93 0.05 2 636 . 64 ARG HG2 H 1.73 0.05 2 637 . 64 ARG HG3 H 1.55 0.05 2 638 . 64 ARG HD2 H 3.23 0.05 1 639 . 64 ARG HD3 H 3.23 0.05 1 640 . 64 ARG C C 178.4 0.2 1 641 . 64 ARG CA C 60.4 0.2 1 642 . 64 ARG CB C 29.5 0.2 1 643 . 64 ARG CG C 28.5 0.2 1 644 . 64 ARG CD C 43.6 0.2 1 645 . 64 ARG N N 119.4 0.2 1 646 . 65 LEU H H 7.59 0.02 1 647 . 65 LEU HA H 4.07 0.05 1 648 . 65 LEU HB2 H 1.78 0.05 2 649 . 65 LEU HB3 H 1.58 0.05 2 650 . 65 LEU HG H 1.58 0.05 1 651 . 65 LEU HD1 H 0.82 0.05 1 652 . 65 LEU HD2 H 0.82 0.05 1 653 . 65 LEU C C 180.3 0.2 1 654 . 65 LEU CA C 58.0 0.2 1 655 . 65 LEU CB C 41.3 0.2 1 656 . 65 LEU CG C 27.1 0.2 1 657 . 65 LEU CD1 C 24.7 0.2 2 658 . 65 LEU CD2 C 23.3 0.2 2 659 . 65 LEU N N 118.4 0.2 1 660 . 66 VAL H H 7.67 0.02 1 661 . 66 VAL HA H 3.59 0.05 1 662 . 66 VAL HB H 2.37 0.05 1 663 . 66 VAL HG1 H 1.09 0.05 2 664 . 66 VAL HG2 H 0.81 0.05 2 665 . 66 VAL C C 178.8 0.2 1 666 . 66 VAL CA C 66.5 0.2 1 667 . 66 VAL CB C 31.5 0.2 1 668 . 66 VAL CG1 C 22.5 0.2 2 669 . 66 VAL CG2 C 20.7 0.2 2 670 . 66 VAL N N 121.8 0.2 1 671 . 67 ILE H H 7.74 0.02 1 672 . 67 ILE HA H 3.36 0.05 1 673 . 67 ILE HB H 1.99 0.05 1 674 . 67 ILE HG12 H 1.80 0.05 2 675 . 67 ILE HG13 H 0.85 0.05 2 676 . 67 ILE HG2 H 1.00 0.05 1 677 . 67 ILE HD1 H 0.79 0.05 1 678 . 67 ILE C C 180.0 0.2 1 679 . 67 ILE CA C 66.1 0.2 1 680 . 67 ILE CB C 38.6 0.2 1 681 . 67 ILE CG1 C 29.8 0.2 1 682 . 67 ILE CG2 C 19.0 0.2 1 683 . 67 ILE CD1 C 14.4 0.2 1 684 . 67 ILE N N 118.5 0.2 1 685 . 68 GLU H H 8.93 0.02 1 686 . 68 GLU HA H 4.01 0.05 1 687 . 68 GLU HB2 H 2.13 0.05 1 688 . 68 GLU HB3 H 2.13 0.05 1 689 . 68 GLU HG2 H 2.46 0.05 2 690 . 68 GLU HG3 H 2.29 0.05 2 691 . 68 GLU C C 177.8 0.2 1 692 . 68 GLU CA C 59.8 0.2 1 693 . 68 GLU CB C 29.6 0.2 1 694 . 68 GLU CG C 36.7 0.2 1 695 . 68 GLU N N 119.5 0.2 1 696 . 69 SER H H 7.94 0.02 1 697 . 69 SER HA H 4.60 0.05 1 698 . 69 SER HB2 H 4.04 0.05 1 699 . 69 SER HB3 H 4.04 0.05 1 700 . 69 SER C C 174.0 0.2 1 701 . 69 SER CA C 58.8 0.2 1 702 . 69 SER CB C 63.9 0.2 1 703 . 69 SER N N 112.4 0.2 1 704 . 70 SER H H 7.40 0.2 1 705 . 70 SER C C 172.6 0.2 1 706 . 70 SER CB C 63.6 0.2 1 707 . 70 SER N N 119.3 0.2 1 708 . 71 PRO HA H 4.89 0.05 1 709 . 71 PRO HB2 H 2.28 0.05 2 710 . 71 PRO HB3 H 2.19 0.05 2 711 . 71 PRO HG2 H 2.11 0.05 2 712 . 71 PRO HG3 H 1.81 0.05 2 713 . 71 PRO HD2 H 3.95 0.05 2 714 . 71 PRO HD3 H 3.48 0.05 2 715 . 71 PRO C C 176.3 0.2 1 716 . 71 PRO CA C 62.8 0.2 1 717 . 71 PRO CB C 30.5 0.2 1 718 . 71 PRO CG C 27.6 0.2 1 719 . 71 PRO CD C 50.5 0.2 1 720 . 72 LEU H H 6.91 0.02 1 721 . 72 LEU HA H 4.24 0.05 1 722 . 72 LEU HB2 H 1.75 0.05 2 723 . 72 LEU HB3 H 1.62 0.05 2 724 . 72 LEU HG H 1.72 0.05 1 725 . 72 LEU HD1 H 1.02 0.05 2 726 . 72 LEU HD2 H 0.95 0.05 2 727 . 72 LEU C C 175.7 0.2 1 728 . 72 LEU CA C 55.1 0.2 1 729 . 72 LEU CB C 42.9 0.2 1 730 . 72 LEU CD1 C 25.9 0.2 2 731 . 72 LEU CD2 C 22.5 0.2 2 732 . 72 LEU N N 117.9 0.2 1 733 . 73 SER H H 8.67 0.02 1 734 . 73 SER HA H 4.51 0.05 1 735 . 73 SER HB2 H 4.42 0.05 2 736 . 73 SER HB3 H 4.13 0.05 2 737 . 73 SER C C 174.9 0.2 1 738 . 73 SER CA C 58.2 0.2 1 739 . 73 SER CB C 65.1 0.2 1 740 . 73 SER N N 115.9 0.2 1 741 . 74 ARG H H 8.96 0.02 1 742 . 74 ARG HA H 3.95 0.05 1 743 . 74 ARG HB2 H 2.05 0.05 2 744 . 74 ARG HB3 H 1.93 0.05 2 745 . 74 ARG HG2 H 1.87 0.05 2 746 . 74 ARG HG3 H 1.75 0.05 2 747 . 74 ARG HD2 H 3.31 0.05 1 748 . 74 ARG HD3 H 3.31 0.05 1 749 . 74 ARG C C 179.1 0.2 1 750 . 74 ARG CA C 60.4 0.2 1 751 . 74 ARG CB C 29.7 0.2 1 752 . 74 ARG CG C 27.2 0.2 1 753 . 74 ARG CD C 43.4 0.2 1 754 . 74 ARG N N 121.9 0.2 1 755 . 75 ALA H H 8.63 0.02 1 756 . 75 ALA HA H 4.17 0.05 1 757 . 75 ALA HB H 1.45 0.05 1 758 . 75 ALA C C 181.2 0.2 1 759 . 75 ALA CA C 55.1 0.2 1 760 . 75 ALA CB C 18.5 0.2 1 761 . 75 ALA N N 120.9 0.2 1 762 . 76 GLU H H 7.73 0.02 1 763 . 76 GLU HA H 3.99 0.05 1 764 . 76 GLU HB2 H 2.03 0.05 1 765 . 76 GLU HB3 H 2.03 0.05 1 766 . 76 GLU HG2 H 2.31 0.05 1 767 . 76 GLU HG3 H 2.31 0.05 1 768 . 76 GLU C C 179.1 0.2 1 769 . 76 GLU CA C 59.0 0.2 1 770 . 76 GLU CB C 30.9 0.2 1 771 . 76 GLU CG C 37.4 0.2 1 772 . 76 GLU N N 119.8 0.2 1 773 . 77 LYS H H 8.69 0.02 1 774 . 77 LYS HA H 3.77 0.05 1 775 . 77 LYS HB2 H 1.98 0.05 2 776 . 77 LYS HB3 H 1.76 0.05 2 777 . 77 LYS HE2 H 3.13 0.05 1 778 . 77 LYS HE3 H 3.13 0.05 1 779 . 77 LYS C C 178.0 0.2 1 780 . 77 LYS CA C 60.8 0.2 1 781 . 77 LYS CB C 33.3 0.2 1 782 . 77 LYS CG C 26.8 0.2 1 783 . 77 LYS CD C 30.8 0.2 1 784 . 77 LYS CE C 42.6 0.2 1 785 . 77 LYS N N 119.1 0.2 1 786 . 78 ALA H H 7.97 0.02 1 787 . 78 ALA HA H 4.10 0.05 1 788 . 78 ALA HB H 1.49 0.05 1 789 . 78 ALA C C 180.8 0.2 1 790 . 78 ALA CA C 55.0 0.2 1 791 . 78 ALA CB C 17.9 0.2 1 792 . 78 ALA N N 119.1 0.2 1 793 . 79 ALA H H 7.73 0.02 1 794 . 79 ALA HA H 4.12 0.05 1 795 . 79 ALA HB H 1.34 0.05 1 796 . 79 ALA C C 181.3 0.2 1 797 . 79 ALA CA C 55.1 0.2 1 798 . 79 ALA CB C 18.0 0.2 1 799 . 79 ALA N N 120.9 0.2 1 800 . 80 TYR H H 8.33 0.02 1 801 . 80 TYR HA H 4.57 0.05 1 802 . 80 TYR HB2 H 2.94 0.05 2 803 . 80 TYR HB3 H 2.89 0.05 2 804 . 80 TYR C C 178.8 0.2 1 805 . 80 TYR CA C 62.1 0.2 1 806 . 80 TYR CB C 38.0 0.2 1 807 . 80 TYR N N 118.7 0.2 1 808 . 81 VAL H H 8.79 0.02 1 809 . 81 VAL HA H 3.64 0.05 1 810 . 81 VAL HB H 2.23 0.05 1 811 . 81 VAL HG1 H 1.17 0.05 2 812 . 81 VAL HG2 H 1.00 0.05 2 813 . 81 VAL C C 178.9 0.2 1 814 . 81 VAL CA C 67.9 0.2 1 815 . 81 VAL CB C 31.5 0.2 1 816 . 81 VAL CG1 C 23.8 0.2 2 817 . 81 VAL CG2 C 21.5 0.2 2 818 . 81 VAL N N 120.8 0.2 1 819 . 82 LYS H H 8.00 0.02 1 820 . 82 LYS HA H 4.13 0.05 1 821 . 82 LYS HB2 H 1.99 0.05 1 822 . 82 LYS HB3 H 1.99 0.05 1 823 . 82 LYS HG2 H 1.55 0.05 2 824 . 82 LYS HG3 H 1.46 0.05 2 825 . 82 LYS HD2 H 1.73 0.05 1 826 . 82 LYS HD3 H 1.73 0.05 1 827 . 82 LYS HE2 H 2.99 0.05 1 828 . 82 LYS HE3 H 2.99 0.05 1 829 . 82 LYS C C 180.1 0.2 1 830 . 82 LYS CA C 59.8 0.2 1 831 . 82 LYS CB C 31.8 0.2 1 832 . 82 LYS CG C 25.1 0.2 1 833 . 82 LYS CD C 29.3 0.2 1 834 . 82 LYS CE C 42.2 0.2 1 835 . 82 LYS N N 121.6 0.2 1 836 . 83 SER H H 8.33 0.02 1 837 . 83 SER HA H 4.19 0.05 1 838 . 83 SER HB2 H 4.01 0.05 1 839 . 83 SER HB3 H 4.01 0.05 1 840 . 83 SER C C 177.9 0.2 1 841 . 83 SER CA C 62.5 0.2 1 842 . 83 SER CB C 62.5 0.2 1 843 . 83 SER N N 116.7 0.2 1 844 . 84 LEU H H 8.78 0.02 1 845 . 84 LEU HA H 4.43 0.05 1 846 . 84 LEU HB2 H 1.81 0.05 1 847 . 84 LEU HB3 H 1.81 0.05 1 848 . 84 LEU HG H 1.89 0.05 1 849 . 84 LEU HD1 H 0.99 0.05 2 850 . 84 LEU C C 179.3 0.2 1 851 . 84 LEU CA C 58.2 0.2 1 852 . 84 LEU CB C 42.4 0.2 1 853 . 84 LEU CD1 C 25.3 0.2 2 854 . 84 LEU N N 123.5 0.2 1 855 . 85 SER H H 8.02 0.02 1 856 . 85 SER HA H 4.33 0.05 1 857 . 85 SER HB2 H 4.13 0.05 1 858 . 85 SER HB3 H 4.13 0.05 1 859 . 85 SER C C 174.8 0.2 1 860 . 85 SER CA C 61.3 0.2 1 861 . 85 SER CB C 63.4 0.2 1 862 . 85 SER N N 113.4 0.2 1 863 . 86 LYS H H 7.30 0.02 1 864 . 86 LYS HA H 4.45 0.05 1 865 . 86 LYS HB2 H 2.11 0.05 2 866 . 86 LYS HB3 H 1.90 0.05 2 867 . 86 LYS HG2 H 1.64 0.05 2 868 . 86 LYS HG3 H 1.57 0.05 2 869 . 86 LYS HD2 H 1.71 0.05 1 870 . 86 LYS HD3 H 1.71 0.05 1 871 . 86 LYS HE2 H 3.00 0.05 1 872 . 86 LYS HE3 H 3.00 0.05 1 873 . 86 LYS C C 177.3 0.2 1 874 . 86 LYS CA C 56.0 0.2 1 875 . 86 LYS CB C 33.1 0.2 1 876 . 86 LYS CG C 25.0 0.2 1 877 . 86 LYS CD C 29.1 0.2 1 878 . 86 LYS CE C 42.2 0.2 1 879 . 86 LYS N N 118.9 0.2 1 880 . 87 CYS H H 7.52 0.02 1 881 . 87 CYS HA H 4.36 0.05 1 882 . 87 CYS HB2 H 3.25 0.05 2 883 . 87 CYS HB3 H 2.59 0.05 2 884 . 87 CYS C C 175.7 0.2 1 885 . 87 CYS CA C 61.9 0.2 1 886 . 87 CYS CB C 29.9 0.2 1 887 . 87 CYS N N 118.5 0.2 1 888 . 88 LYS H H 9.32 0.02 1 889 . 88 LYS HA H 4.57 0.05 1 890 . 88 LYS HB2 H 2.00 0.05 1 891 . 88 LYS HB3 H 2.00 0.05 1 892 . 88 LYS HG2 H 1.64 0.05 2 893 . 88 LYS HG3 H 1.55 0.05 2 894 . 88 LYS HD2 H 1.78 0.05 1 895 . 88 LYS HD3 H 1.78 0.05 1 896 . 88 LYS HE2 H 3.10 0.05 1 897 . 88 LYS HE3 H 3.10 0.05 1 898 . 88 LYS C C 176.7 0.2 1 899 . 88 LYS CA C 56.5 0.2 1 900 . 88 LYS CB C 34.7 0.2 1 901 . 88 LYS CG C 24.9 0.2 1 902 . 88 LYS CD C 28.9 0.2 1 903 . 88 LYS CE C 42.2 0.2 1 904 . 88 LYS N N 121.6 0.2 1 905 . 89 THR H H 7.49 0.02 1 906 . 89 THR HA H 4.89 0.05 1 907 . 89 THR HB H 4.72 0.05 1 908 . 89 THR HG2 H 1.25 0.05 1 909 . 89 THR C C 175.0 0.2 1 910 . 89 THR CA C 58.9 0.2 1 911 . 89 THR CB C 73.1 0.2 1 912 . 89 THR CG2 C 21.8 0.2 1 913 . 89 THR N N 107.6 0.2 1 914 . 90 ASP H H 9.04 0.02 1 915 . 90 ASP HA H 4.41 0.05 1 916 . 90 ASP HB2 H 2.72 0.05 1 917 . 90 ASP HB3 H 2.72 0.05 1 918 . 90 ASP C C 178.7 0.2 1 919 . 90 ASP CA C 57.4 0.2 1 920 . 90 ASP CB C 40.5 0.2 1 921 . 90 ASP N N 121.7 0.2 1 922 . 91 GLN H H 8.48 0.02 1 923 . 91 GLN HA H 4.04 0.05 1 924 . 91 GLN HB2 H 2.17 0.05 2 925 . 91 GLN HB3 H 2.08 0.05 2 926 . 91 GLN HG2 H 2.53 0.05 1 927 . 91 GLN HG3 H 2.53 0.05 1 928 . 91 GLN HE21 H 7.58 0.02 2 929 . 91 GLN HE22 H 6.95 0.02 2 930 . 91 GLN C C 178.9 0.2 1 931 . 91 GLN CA C 59.4 0.2 1 932 . 91 GLN CB C 28.1 0.2 1 933 . 91 GLN CG C 34.2 0.2 1 934 . 91 GLN N N 119.6 0.2 1 935 . 91 GLN NE2 N 112.7 0.2 1 936 . 92 GLU H H 7.77 0.02 1 937 . 92 GLU HA H 4.10 0.05 1 938 . 92 GLU HB2 H 2.18 0.05 2 939 . 92 GLU HB3 H 2.08 0.05 2 940 . 92 GLU HG2 H 2.48 0.05 2 941 . 92 GLU HG3 H 2.37 0.05 2 942 . 92 GLU C C 179.1 0.2 1 943 . 92 GLU CA C 59.5 0.2 1 944 . 92 GLU CB C 29.5 0.2 1 945 . 92 GLU CG C 37.3 0.2 1 946 . 92 GLU N N 120.7 0.2 1 947 . 93 VAL H H 7.71 0.02 1 948 . 93 VAL HA H 3.76 0.05 1 949 . 93 VAL HB H 2.22 0.05 1 950 . 93 VAL HG1 H 1.06 0.05 2 951 . 93 VAL HG2 H 0.84 0.05 2 952 . 93 VAL C C 177.9 0.2 1 953 . 93 VAL CA C 66.9 0.2 1 954 . 93 VAL CB C 32.1 0.2 1 955 . 93 VAL CG1 C 23.4 0.2 2 956 . 93 VAL CG2 C 22.0 0.2 2 957 . 93 VAL N N 120.5 0.2 1 958 . 94 LYS H H 8.11 0.02 1 959 . 94 LYS HA H 3.87 0.05 1 960 . 94 LYS HB2 H 1.92 0.05 1 961 . 94 LYS HB3 H 1.92 0.05 1 962 . 94 LYS HG2 H 1.56 0.05 2 963 . 94 LYS HG3 H 1.43 0.05 2 964 . 94 LYS HD2 H 1.69 0.05 1 965 . 94 LYS HD3 H 1.69 0.05 1 966 . 94 LYS HE2 H 3.01 0.05 1 967 . 94 LYS HE3 H 3.01 0.05 1 968 . 94 LYS C C 178.5 0.2 1 969 . 94 LYS CA C 59.6 0.2 1 970 . 94 LYS CB C 32.4 0.2 1 971 . 94 LYS CG C 25.4 0.2 1 972 . 94 LYS CD C 29.5 0.2 1 973 . 94 LYS CE C 42.4 0.2 1 974 . 94 LYS N N 119.2 0.2 1 975 . 95 ALA H H 7.67 0.02 1 976 . 95 ALA HA H 4.23 0.05 1 977 . 95 ALA HB H 1.58 0.05 1 978 . 95 ALA C C 180.9 0.2 1 979 . 95 ALA CA C 55.1 0.2 1 980 . 95 ALA CB C 18.1 0.2 1 981 . 95 ALA N N 120.4 0.2 1 982 . 96 VAL H H 7.71 0.02 1 983 . 96 VAL HA H 3.76 0.05 1 984 . 96 VAL HB H 2.22 0.05 1 985 . 96 VAL HG1 H 1.03 0.05 2 986 . 96 VAL HG2 H 0.99 0.05 2 987 . 96 VAL C C 177.9 0.2 1 988 . 96 VAL CA C 66.9 0.2 1 989 . 96 VAL CB C 31.7 0.2 1 990 . 96 VAL CG1 C 24.0 0.2 2 991 . 96 VAL CG2 C 21.8 0.2 2 992 . 96 VAL N N 119.0 0.2 1 993 . 97 MET H H 8.27 0.02 1 994 . 97 MET HA H 4.30 0.05 1 995 . 97 MET HB2 H 2.14 0.05 2 996 . 97 MET HB3 H 2.07 0.05 2 997 . 97 MET HG2 H 2.68 0.05 2 998 . 97 MET HG3 H 2.62 0.05 2 999 . 97 MET C C 179.3 0.2 1 1000 . 97 MET CA C 56.6 0.2 1 1001 . 97 MET CB C 29.1 0.2 1 1002 . 97 MET CG C 31.6 0.2 1 1003 . 97 MET N N 116.5 0.2 1 1004 . 98 GLU H H 8.27 0.02 1 1005 . 98 GLU HA H 4.08 0.05 1 1006 . 98 GLU HB2 H 2.19 0.05 2 1007 . 98 GLU HB3 H 2.08 0.05 2 1008 . 98 GLU HG2 H 2.54 0.05 2 1009 . 98 GLU HG3 H 2.31 0.05 2 1010 . 98 GLU C C 179.3 0.2 1 1011 . 98 GLU CA C 59.6 0.2 1 1012 . 98 GLU CB C 29.4 0.2 1 1013 . 98 GLU CG C 36.5 0.2 1 1014 . 98 GLU N N 120.1 0.2 1 1015 . 99 LEU H H 7.37 0.02 1 1016 . 99 LEU HA H 4.13 0.05 1 1017 . 99 LEU HB2 H 2.28 0.05 2 1018 . 99 LEU HB3 H 1.93 0.05 2 1019 . 99 LEU HG H 2.01 0.05 1 1020 . 99 LEU HD1 H 1.08 0.05 2 1021 . 99 LEU HD2 H 0.93 0.05 2 1022 . 99 LEU C C 179.4 0.2 1 1023 . 99 LEU CA C 58.1 0.2 1 1024 . 99 LEU CB C 41.1 0.2 1 1025 . 99 LEU CG C 26.3 0.2 1 1026 . 99 LEU CD1 C 25.9 0.2 2 1027 . 99 LEU CD2 C 22.8 0.2 2 1028 . 99 LEU N N 121.2 0.2 1 1029 . 100 VAL H H 7.91 0.02 1 1030 . 100 VAL HA H 3.03 0.05 1 1031 . 100 VAL HB H 2.03 0.05 1 1032 . 100 VAL HG1 H 0.65 0.05 2 1033 . 100 VAL HG2 H 0.17 0.05 2 1034 . 100 VAL C C 177.9 0.2 1 1035 . 100 VAL CA C 66.4 0.2 1 1036 . 100 VAL CB C 31.6 0.2 1 1037 . 100 VAL CG1 C 21.2 0.2 1 1038 . 100 VAL CG2 C 21.2 0.2 1 1039 . 100 VAL N N 119.8 0.2 1 1040 . 101 GLU H H 8.21 0.02 1 1041 . 101 GLU HA H 3.91 0.05 1 1042 . 101 GLU HB2 H 2.15 0.05 2 1043 . 101 GLU HB3 H 2.08 0.05 2 1044 . 101 GLU HG2 H 2.45 0.05 2 1045 . 101 GLU HG3 H 2.31 0.05 2 1046 . 101 GLU C C 179.0 0.2 1 1047 . 101 GLU CA C 59.5 0.05 1 1048 . 101 GLU CB C 28.8 0.05 1 1049 . 101 GLU CG C 35.5 0.05 1 1050 . 101 GLU N N 117.4 0.2 1 1051 . 102 GLU H H 7.95 0.02 1 1052 . 102 GLU HA H 4.08 0.05 1 1053 . 102 GLU HB2 H 2.22 0.05 1 1054 . 102 GLU HB3 H 2.22 0.05 1 1055 . 102 GLU HG2 H 2.55 0.05 2 1056 . 102 GLU HG3 H 2.39 0.05 2 1057 . 102 GLU C C 179.3 0.2 1 1058 . 102 GLU CA C 59.4 0.2 1 1059 . 102 GLU CB C 29.2 0.2 1 1060 . 102 GLU CG C 36.0 0.2 1 1061 . 102 GLU N N 119.9 0.2 1 1062 . 103 ASP H H 8.22 0.02 1 1063 . 103 ASP HA H 4.57 0.05 1 1064 . 103 ASP HB2 H 3.05 0.05 2 1065 . 103 ASP HB3 H 2.78 0.05 2 1066 . 103 ASP C C 179.7 0.2 1 1067 . 103 ASP CA C 57.1 0.2 1 1068 . 103 ASP CB C 40.5 0.2 1 1069 . 103 ASP N N 121.9 0.2 1 1070 . 104 ILE H H 8.61 0.02 1 1071 . 104 ILE HA H 3.57 0.05 1 1072 . 104 ILE HB H 1.93 0.05 1 1073 . 104 ILE HG12 H 2.05 0.05 2 1074 . 104 ILE HG13 H 0.78 0.05 2 1075 . 104 ILE HG2 H 0.91 0.05 1 1076 . 104 ILE HD1 H 0.85 0.05 1 1077 . 104 ILE C C 179.2 0.2 1 1078 . 104 ILE CA C 66.3 0.2 1 1079 . 104 ILE CB C 38.3 0.2 1 1080 . 104 ILE CG1 C 30.0 0.2 1 1081 . 104 ILE CG2 C 17.4 0.2 1 1082 . 104 ILE CD1 C 14.5 0.2 1 1083 . 104 ILE N N 120.9 0.2 1 1084 . 105 GLU H H 8.38 0.02 1 1085 . 105 GLU HA H 4.07 0.05 1 1086 . 105 GLU HB2 H 2.17 0.05 1 1087 . 105 GLU HB3 H 2.17 0.05 1 1088 . 105 GLU HG2 H 2.50 0.05 2 1089 . 105 GLU HG3 H 2.39 0.05 2 1090 . 105 GLU C C 178.6 0.2 1 1091 . 105 GLU CA C 59.2 0.2 1 1092 . 105 GLU CB C 29.0 0.2 1 1093 . 105 GLU CG C 36.1 0.2 1 1094 . 105 GLU N N 120.7 0.2 1 1095 . 106 SER H H 7.93 0.02 1 1096 . 106 SER HA H 4.42 0.05 1 1097 . 106 SER HB2 H 4.10 0.05 1 1098 . 106 SER HB3 H 4.10 0.05 1 1099 . 106 SER C C 175.3 0.2 1 1100 . 106 SER CA C 60.5 0.2 1 1101 . 106 SER CB C 63.6 0.2 1 1102 . 106 SER N N 113.9 0.2 1 1103 . 107 LEU H H 7.57 0.02 1 1104 . 107 LEU HA H 4.40 0.05 1 1105 . 107 LEU HB2 H 1.93 0.05 2 1106 . 107 LEU HB3 H 1.67 0.05 2 1107 . 107 LEU HG H 1.93 0.05 1 1108 . 107 LEU HD1 H 0.93 0.05 1 1109 . 107 LEU HD2 H 0.93 0.05 1 1110 . 107 LEU C C 178.1 0.2 1 1111 . 107 LEU CA C 56.1 0.2 1 1112 . 107 LEU CB C 42.8 0.2 1 1113 . 107 LEU CG C 26.4 0.2 1 1114 . 107 LEU CD1 C 25.9 0.2 2 1115 . 107 LEU CD2 C 23.1 0.2 2 1116 . 107 LEU N N 121.1 0.2 1 1117 . 108 THR H H 7.79 0.02 1 1118 . 108 THR HA H 4.46 0.05 1 1119 . 108 THR HB H 4.37 0.05 1 1120 . 108 THR HG2 H 1.26 0.05 1 1121 . 108 THR C C 173.7 0.2 1 1122 . 108 THR CA C 62.0 0.2 1 1123 . 108 THR CB C 70.2 0.2 1 1124 . 108 THR CG2 C 21.6 0.2 1 1125 . 108 THR N N 111.7 0.2 1 1126 . 109 ASN H H 7.93 0.02 1 1127 . 109 ASN HA H 4.56 0.05 1 1128 . 109 ASN HB2 H 2.81 0.05 2 1129 . 109 ASN HB3 H 2.75 0.05 2 1130 . 109 ASN HD21 H 7.56 0.02 2 1131 . 109 ASN HD22 H 6.84 0.02 2 1132 . 109 ASN C C 179.7 0.2 1 1133 . 109 ASN CA C 54.8 0.2 1 1134 . 109 ASN CB C 40.5 0.2 1 1135 . 109 ASN N N 126.7 0.2 1 1136 . 109 ASN ND2 N 113 0.2 1 stop_ save_