data_27857 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments of RbfA ; _BMRB_accession_number 27857 _BMRB_flat_file_name bmr27857.str _Entry_type original _Submission_date 2019-03-29 _Accession_date 2019-03-29 _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 Schedlbauer Andreas . . 2 Kaminishi Tatsuya . . 3 Lopez-Alonso Jorge . . 4 Iturrioz Idoia . . 5 'Ochoa Lizarralde' Borja . . 6 Gil-Carton David . . 7 Fucini Paola . . 8 Connell Sean . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 683 "13C chemical shifts" 522 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-26 update BMRB 'update entry citation' 2019-04-01 original author 'original release' stop_ _Original_release_date 2019-03-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and sidechain NMR assignments for the ribosome maturation factor RbfA from Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32671633 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schedlbauer Andreas . . 2 Iturrioz Idoia . . 3 Ochoa-Lizarralde Borja . . 4 Capuni Retina . . 5 Han Xu . . 6 'de Astigarraga' Elisa . . 7 Diercks Tammo . . 8 Fucini Paola . . 9 Connell Sean R. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 14 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 317 _Page_last 321 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RbfA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RbfA $RbfA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RbfA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RbfA _Molecular_mass 15911.32 _Mol_thiol_state 'not present' loop_ _Biological_function 'Involved in the late maturation steps of the ribosomal 30S subunit' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; SAKEFGRPQRVAQEMQKEIA LILQREIKDPRLGMMTTVSG VEMSRDLAYAKVYVTFLNDK DEDAVKAGIKALQEASGFIR SLLGKAMRLRIVPELTFFYD NSLVEGMRMSNLVTSVVKHD EERRVNPDDSKEDALEVLFQ ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 LYS 4 GLU 5 PHE 6 GLY 7 ARG 8 PRO 9 GLN 10 ARG 11 VAL 12 ALA 13 GLN 14 GLU 15 MET 16 GLN 17 LYS 18 GLU 19 ILE 20 ALA 21 LEU 22 ILE 23 LEU 24 GLN 25 ARG 26 GLU 27 ILE 28 LYS 29 ASP 30 PRO 31 ARG 32 LEU 33 GLY 34 MET 35 MET 36 THR 37 THR 38 VAL 39 SER 40 GLY 41 VAL 42 GLU 43 MET 44 SER 45 ARG 46 ASP 47 LEU 48 ALA 49 TYR 50 ALA 51 LYS 52 VAL 53 TYR 54 VAL 55 THR 56 PHE 57 LEU 58 ASN 59 ASP 60 LYS 61 ASP 62 GLU 63 ASP 64 ALA 65 VAL 66 LYS 67 ALA 68 GLY 69 ILE 70 LYS 71 ALA 72 LEU 73 GLN 74 GLU 75 ALA 76 SER 77 GLY 78 PHE 79 ILE 80 ARG 81 SER 82 LEU 83 LEU 84 GLY 85 LYS 86 ALA 87 MET 88 ARG 89 LEU 90 ARG 91 ILE 92 VAL 93 PRO 94 GLU 95 LEU 96 THR 97 PHE 98 PHE 99 TYR 100 ASP 101 ASN 102 SER 103 LEU 104 VAL 105 GLU 106 GLY 107 MET 108 ARG 109 MET 110 SER 111 ASN 112 LEU 113 VAL 114 THR 115 SER 116 VAL 117 VAL 118 LYS 119 HIS 120 ASP 121 GLU 122 GLU 123 ARG 124 ARG 125 VAL 126 ASN 127 PRO 128 ASP 129 ASP 130 SER 131 LYS 132 GLU 133 ASP 134 ALA 135 LEU 136 GLU 137 VAL 138 LEU 139 PHE 140 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P0A7G2 '30S ribosome-binding factor A' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RbfA 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RbfA 'recombinant technology' . Escherichia coli . P7XC3GH 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 $RbfA 400 uM '[U-98% 13C; U-98% 15N]' HEPES 10 mM 'natural abundance' MgCl2 6 mM 'natural abundance' NH4Cl 30 mM 'natural abundance' TCEP 75 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 9.8 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CNH_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CNH NOESY' _Sample_label $sample_1 save_ save_3D_HNH_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNH NOESY' _Sample_label $sample_1 save_ save_3D_HCH_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCH NOESY' _Sample_label $sample_1 save_ save_3D_HNCAHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCAHA' _Sample_label $sample_1 save_ save_3D_HN(CO)CAHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CAHA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 na indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000 DSS N 15 'methyl protons' ppm 0.0 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HN(CA)CO' '3D HCCH-TOCSY' '3D CNH NOESY' '3D HNH NOESY' '3D HCH NOESY' '3D HNCAHA' '3D HN(CO)CAHA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RbfA _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 6 6 GLY HA2 H 3.94 0.02 1 2 6 6 GLY HA3 H 3.79 0.02 1 3 6 6 GLY CA C 44.9 0.3 1 4 8 8 PRO HA H 4.07 0.02 1 5 8 8 PRO HB2 H 2.12 0.02 1 6 8 8 PRO HB3 H 1.74 0.02 1 7 8 8 PRO HG2 H 2.01 0.02 1 8 8 8 PRO HG3 H 1.91 0.02 1 9 8 8 PRO HD2 H 3.75 0.02 1 10 8 8 PRO HD3 H 3.59 0.02 1 11 8 8 PRO CA C 65.4 0.3 1 12 8 8 PRO CB C 31.1 0.3 1 13 8 8 PRO CG C 28.2 0.3 1 14 8 8 PRO CD C 50.2 0.3 1 15 10 10 ARG HA H 4.07 0.02 1 16 10 10 ARG HB2 H 1.82 0.02 1 17 10 10 ARG HB3 H 1.82 0.02 1 18 10 10 ARG HG2 H 1.57 0.02 1 19 10 10 ARG HG3 H 1.57 0.02 1 20 10 10 ARG HD2 H 3.11 0.02 1 21 10 10 ARG HD3 H 3.11 0.02 1 22 10 10 ARG CA C 58.5 0.3 1 23 10 10 ARG CB C 29.8 0.3 1 24 10 10 ARG CG C 27.2 0.3 1 25 10 10 ARG CD C 43.0 0.3 1 26 11 11 VAL H H 8.16 0.02 1 27 11 11 VAL HA H 3.63 0.02 1 28 11 11 VAL HB H 1.94 0.02 1 29 11 11 VAL HG1 H 0.90 0.02 1 30 11 11 VAL HG2 H 0.82 0.02 1 31 11 11 VAL C C 177.7 0.3 1 32 11 11 VAL CA C 66.0 0.3 1 33 11 11 VAL CB C 31.6 0.3 1 34 11 11 VAL CG1 C 22.5 0.3 1 35 11 11 VAL CG2 C 21.2 0.3 1 36 11 11 VAL N N 120.3 0.3 1 37 12 12 ALA H H 8.05 0.02 1 38 12 12 ALA HA H 3.72 0.02 1 39 12 12 ALA HB H 1.40 0.02 1 40 12 12 ALA C C 179.4 0.3 1 41 12 12 ALA CA C 55.6 0.3 1 42 12 12 ALA CB C 18.4 0.3 1 43 12 12 ALA N N 122.0 0.3 1 44 13 13 GLN H H 7.67 0.02 1 45 13 13 GLN HA H 3.98 0.02 1 46 13 13 GLN HB2 H 2.17 0.02 1 47 13 13 GLN HB3 H 2.06 0.02 1 48 13 13 GLN HG2 H 2.48 0.02 1 49 13 13 GLN HG3 H 2.34 0.02 1 50 13 13 GLN HE21 H 7.44 0.02 1 51 13 13 GLN HE22 H 6.68 0.02 1 52 13 13 GLN C C 179.1 0.3 1 53 13 13 GLN CA C 59.0 0.3 1 54 13 13 GLN CB C 28.6 0.3 1 55 13 13 GLN CG C 34.4 0.3 1 56 13 13 GLN N N 116.7 0.3 1 57 13 13 GLN NE2 N 111.5 0.3 1 58 14 14 GLU H H 7.87 0.02 1 59 14 14 GLU HA H 4.00 0.02 1 60 14 14 GLU HB2 H 2.03 0.02 1 61 14 14 GLU HB3 H 1.90 0.02 1 62 14 14 GLU HG2 H 2.35 0.02 1 63 14 14 GLU HG3 H 2.20 0.02 1 64 14 14 GLU CA C 59.2 0.3 1 65 14 14 GLU CB C 29.4 0.3 1 66 14 14 GLU CG C 36.2 0.3 1 67 14 14 GLU N N 120.8 0.3 1 68 15 15 MET H H 8.76 0.02 1 69 15 15 MET HA H 3.92 0.02 1 70 15 15 MET HB2 H 2.56 0.02 1 71 15 15 MET HB3 H 2.25 0.02 1 72 15 15 MET HG2 H 2.44 0.02 1 73 15 15 MET HG3 H 2.44 0.02 1 74 15 15 MET HE H 1.96 0.02 1 75 15 15 MET C C 177.7 0.3 1 76 15 15 MET CA C 59.2 0.3 1 77 15 15 MET CB C 32.8 0.3 1 78 15 15 MET CG C 31.7 0.3 1 79 15 15 MET CE C 17.0 0.3 1 80 15 15 MET N N 118.7 0.3 1 81 16 16 GLN H H 8.29 0.02 1 82 16 16 GLN HA H 3.47 0.02 1 83 16 16 GLN HB2 H 2.23 0.02 1 84 16 16 GLN HB3 H 1.95 0.02 1 85 16 16 GLN HG2 H 2.18 0.02 1 86 16 16 GLN HG3 H 1.99 0.02 1 87 16 16 GLN C C 176.6 0.3 1 88 16 16 GLN CA C 60.1 0.3 1 89 16 16 GLN CB C 27.9 0.3 1 90 16 16 GLN CG C 32.4 0.3 1 91 16 16 GLN N N 119.4 0.3 1 92 17 17 LYS H H 7.08 0.02 1 93 17 17 LYS HA H 3.92 0.02 1 94 17 17 LYS HB2 H 1.87 0.02 1 95 17 17 LYS HB3 H 1.87 0.02 1 96 17 17 LYS HG2 H 1.48 0.02 1 97 17 17 LYS HG3 H 1.48 0.02 1 98 17 17 LYS HD2 H 1.58 0.02 1 99 17 17 LYS HD3 H 1.58 0.02 1 100 17 17 LYS HE2 H 2.83 0.02 1 101 17 17 LYS HE3 H 2.83 0.02 1 102 17 17 LYS C C 179.3 0.3 1 103 17 17 LYS CA C 59.0 0.3 1 104 17 17 LYS CB C 32.4 0.3 1 105 17 17 LYS CG C 24.7 0.3 1 106 17 17 LYS CD C 29.4 0.3 1 107 17 17 LYS CE C 42.0 0.3 1 108 17 17 LYS N N 117.2 0.3 1 109 18 18 GLU H H 8.06 0.02 1 110 18 18 GLU HA H 4.15 0.02 1 111 18 18 GLU HB2 H 1.93 0.02 1 112 18 18 GLU HB3 H 1.93 0.02 1 113 18 18 GLU HG2 H 2.35 0.02 1 114 18 18 GLU HG3 H 2.35 0.02 1 115 18 18 GLU C C 180.4 0.3 1 116 18 18 GLU CA C 58.2 0.3 1 117 18 18 GLU CB C 29.1 0.3 1 118 18 18 GLU CG C 34.9 0.3 1 119 18 18 GLU N N 117.7 0.3 1 120 19 19 ILE H H 9.05 0.02 1 121 19 19 ILE HA H 3.51 0.02 1 122 19 19 ILE HB H 1.71 0.02 1 123 19 19 ILE HG12 H 1.95 0.02 1 124 19 19 ILE HG13 H 0.60 0.02 1 125 19 19 ILE HG2 H 0.81 0.02 1 126 19 19 ILE HD1 H 0.62 0.02 1 127 19 19 ILE C C 176.9 0.3 1 128 19 19 ILE CA C 66.1 0.3 1 129 19 19 ILE CB C 37.5 0.3 1 130 19 19 ILE CG1 C 31.3 0.3 1 131 19 19 ILE CG2 C 17.5 0.3 1 132 19 19 ILE CD1 C 14.5 0.3 1 133 19 19 ILE N N 119.5 0.3 1 134 20 20 ALA H H 7.80 0.02 1 135 20 20 ALA HA H 3.87 0.02 1 136 20 20 ALA HB H 1.47 0.02 1 137 20 20 ALA C C 180.0 0.3 1 138 20 20 ALA CA C 56.0 0.3 1 139 20 20 ALA CB C 18.2 0.3 1 140 20 20 ALA N N 121.4 0.3 1 141 21 21 LEU H H 7.34 0.02 1 142 21 21 LEU HA H 4.00 0.02 1 143 21 21 LEU HB2 H 1.78 0.02 1 144 21 21 LEU HB3 H 1.52 0.02 1 145 21 21 LEU HG H 1.64 0.02 1 146 21 21 LEU HD1 H 0.80 0.02 1 147 21 21 LEU HD2 H 0.78 0.02 1 148 21 21 LEU C C 179.3 0.3 1 149 21 21 LEU CA C 58.0 0.3 1 150 21 21 LEU CB C 41.9 0.3 1 151 21 21 LEU CG C 26.8 0.3 1 152 21 21 LEU CD1 C 24.7 0.3 1 153 21 21 LEU CD2 C 23.4 0.3 1 154 21 21 LEU N N 117.7 0.3 1 155 22 22 ILE H H 7.69 0.02 1 156 22 22 ILE HA H 3.46 0.02 1 157 22 22 ILE HB H 1.83 0.02 1 158 22 22 ILE HG12 H 1.74 0.02 1 159 22 22 ILE HG13 H 0.84 0.02 1 160 22 22 ILE HG2 H 0.71 0.02 1 161 22 22 ILE HD1 H 0.64 0.02 1 162 22 22 ILE C C 178.4 0.3 1 163 22 22 ILE CA C 65.7 0.3 1 164 22 22 ILE CB C 38.5 0.3 1 165 22 22 ILE CG1 C 30.0 0.3 1 166 22 22 ILE CG2 C 18.4 0.3 1 167 22 22 ILE CD1 C 15.0 0.3 1 168 22 22 ILE N N 120.7 0.3 1 169 23 23 LEU H H 8.43 0.02 1 170 23 23 LEU HA H 3.79 0.02 1 171 23 23 LEU HG H 1.38 0.02 1 172 23 23 LEU HD1 H 0.64 0.02 1 173 23 23 LEU HD2 H 0.59 0.02 1 174 23 23 LEU C C 178.2 0.3 1 175 23 23 LEU CA C 57.9 0.3 1 176 23 23 LEU CB C 40.9 0.3 1 177 23 23 LEU CG C 26.9 0.3 1 178 23 23 LEU CD1 C 25.4 0.3 1 179 23 23 LEU CD2 C 23.3 0.3 1 180 23 23 LEU N N 118.4 0.3 1 181 24 24 GLN H H 7.58 0.02 1 182 24 24 GLN HA H 4.07 0.02 1 183 24 24 GLN HB2 H 2.11 0.02 1 184 24 24 GLN HB3 H 2.07 0.02 1 185 24 24 GLN HG2 H 2.50 0.02 1 186 24 24 GLN HG3 H 2.34 0.02 1 187 24 24 GLN HE21 H 7.36 0.02 1 188 24 24 GLN HE22 H 6.69 0.02 1 189 24 24 GLN C C 177.9 0.3 1 190 24 24 GLN CA C 58.0 0.3 1 191 24 24 GLN CB C 29.4 0.3 1 192 24 24 GLN CG C 34.1 0.3 1 193 24 24 GLN N N 114.9 0.3 1 194 24 24 GLN NE2 N 110.7 0.3 1 195 25 25 ARG H H 8.02 0.02 1 196 25 25 ARG HA H 4.32 0.02 1 197 25 25 ARG HB2 H 1.78 0.02 1 198 25 25 ARG HB3 H 1.78 0.02 1 199 25 25 ARG HG2 H 1.72 0.02 1 200 25 25 ARG HG3 H 1.48 0.02 1 201 25 25 ARG HD2 H 3.06 0.02 1 202 25 25 ARG HD3 H 3.06 0.02 1 203 25 25 ARG C C 177.7 0.3 1 204 25 25 ARG CA C 58.0 0.3 1 205 25 25 ARG CB C 33.0 0.3 1 206 25 25 ARG CG C 27.5 0.3 1 207 25 25 ARG CD C 43.4 0.3 1 208 25 25 ARG N N 115.6 0.3 1 209 26 26 GLU H H 8.36 0.02 1 210 26 26 GLU HA H 4.59 0.02 1 211 26 26 GLU HB2 H 2.18 0.02 1 212 26 26 GLU HB3 H 2.18 0.02 1 213 26 26 GLU HG2 H 2.14 0.02 1 214 26 26 GLU HG3 H 2.14 0.02 1 215 26 26 GLU C C 176.5 0.3 1 216 26 26 GLU CA C 56.3 0.3 1 217 26 26 GLU CB C 31.1 0.3 1 218 26 26 GLU CG C 34.9 0.3 1 219 26 26 GLU N N 114.1 0.3 1 220 27 27 ILE H H 7.08 0.02 1 221 27 27 ILE HA H 4.16 0.02 1 222 27 27 ILE HB H 2.10 0.02 1 223 27 27 ILE HG12 H 1.41 0.02 1 224 27 27 ILE HG13 H 1.12 0.02 1 225 27 27 ILE HG2 H 0.70 0.02 1 226 27 27 ILE HD1 H 0.65 0.02 1 227 27 27 ILE C C 175.1 0.3 1 228 27 27 ILE CA C 59.2 0.3 1 229 27 27 ILE CB C 36.3 0.3 1 230 27 27 ILE CG1 C 27.4 0.3 1 231 27 27 ILE CG2 C 17.3 0.3 1 232 27 27 ILE CD1 C 10.5 0.3 1 233 27 27 ILE N N 118.3 0.3 1 234 28 28 LYS HA H 4.32 0.02 1 235 28 28 LYS HB2 H 1.66 0.02 1 236 28 28 LYS HB3 H 1.54 0.02 1 237 28 28 LYS HG2 H 1.19 0.02 1 238 28 28 LYS HG3 H 1.13 0.02 1 239 28 28 LYS HD2 H 1.52 0.02 1 240 28 28 LYS HD3 H 1.52 0.02 1 241 28 28 LYS HE2 H 2.84 0.02 1 242 28 28 LYS HE3 H 2.84 0.02 1 243 28 28 LYS C C 175.3 0.3 1 244 28 28 LYS CA C 54.8 0.3 1 245 28 28 LYS CB C 32.3 0.3 1 246 28 28 LYS CG C 24.4 0.3 1 247 28 28 LYS CD C 28.7 0.3 1 248 28 28 LYS CE C 41.9 0.3 1 249 29 29 ASP H H 7.74 0.02 1 250 29 29 ASP HA H 4.74 0.02 1 251 29 29 ASP HB2 H 2.37 0.02 1 252 29 29 ASP HB3 H 2.37 0.02 1 253 29 29 ASP CA C 51.5 0.3 1 254 29 29 ASP CB C 43.8 0.3 1 255 29 29 ASP N N 122.8 0.3 1 256 30 30 PRO HA H 4.25 0.02 1 257 30 30 PRO HB2 H 2.23 0.02 1 258 30 30 PRO HB3 H 1.86 0.02 1 259 30 30 PRO HG2 H 1.87 0.02 1 260 30 30 PRO HG3 H 1.87 0.02 1 261 30 30 PRO HD2 H 3.66 0.02 1 262 30 30 PRO HD3 H 3.66 0.02 1 263 30 30 PRO C C 178.0 0.3 1 264 30 30 PRO CA C 64.3 0.3 1 265 30 30 PRO CB C 32.0 0.3 1 266 30 30 PRO CG C 26.8 0.3 1 267 30 30 PRO CD C 50.6 0.3 1 268 31 31 ARG H H 8.82 0.02 1 269 31 31 ARG HA H 3.89 0.02 1 270 31 31 ARG HG2 H 1.52 0.02 1 271 31 31 ARG HG3 H 1.52 0.02 1 272 31 31 ARG C C 176.7 0.3 1 273 31 31 ARG CA C 57.6 0.3 1 274 31 31 ARG CB C 30.3 0.3 1 275 31 31 ARG CG C 26.4 0.3 1 276 31 31 ARG N N 117.6 0.3 1 277 32 32 LEU H H 7.60 0.02 1 278 32 32 LEU HA H 4.20 0.02 1 279 32 32 LEU HB2 H 1.52 0.02 1 280 32 32 LEU HB3 H 1.44 0.02 1 281 32 32 LEU HG H 1.17 0.02 1 282 32 32 LEU HD1 H 0.69 0.02 1 283 32 32 LEU HD2 H 0.68 0.02 1 284 32 32 LEU C C 177.6 0.3 1 285 32 32 LEU CA C 54.4 0.3 1 286 32 32 LEU CB C 42.4 0.3 1 287 32 32 LEU CG C 26.9 0.3 1 288 32 32 LEU CD1 C 24.9 0.3 1 289 32 32 LEU CD2 C 23.4 0.3 1 290 32 32 LEU N N 117.8 0.3 1 291 33 33 GLY H H 7.77 0.02 1 292 33 33 GLY HA2 H 3.83 0.02 1 293 33 33 GLY HA3 H 3.83 0.02 1 294 33 33 GLY C C 174.7 0.3 1 295 33 33 GLY CA C 45.8 0.3 1 296 33 33 GLY N N 107.1 0.3 1 297 36 36 THR HA H 4.68 0.02 1 298 36 36 THR HB H 3.81 0.02 1 299 36 36 THR HG2 H 0.95 0.02 1 300 36 36 THR CA C 62.9 0.3 1 301 36 36 THR CB C 69.9 0.3 1 302 36 36 THR CG2 C 22.3 0.3 1 303 37 37 THR HA H 4.48 0.02 1 304 37 37 THR HB H 3.88 0.02 1 305 37 37 THR HG2 H 0.87 0.02 1 306 37 37 THR CA C 60.8 0.3 1 307 37 37 THR CB C 70.7 0.3 1 308 37 37 THR CG2 C 20.7 0.3 1 309 38 38 VAL HA H 4.49 0.02 1 310 38 38 VAL HB H 2.03 0.02 1 311 38 38 VAL HG1 H 0.88 0.02 1 312 38 38 VAL HG2 H 0.78 0.02 1 313 38 38 VAL C C 175.5 0.3 1 314 38 38 VAL CA C 61.4 0.3 1 315 38 38 VAL CB C 31.7 0.3 1 316 38 38 VAL CG1 C 22.6 0.3 1 317 38 38 VAL CG2 C 21.4 0.3 1 318 39 39 SER H H 9.17 0.02 1 319 39 39 SER HA H 4.25 0.02 1 320 39 39 SER HB2 H 3.74 0.02 1 321 39 39 SER HB3 H 3.74 0.02 1 322 39 39 SER C C 175.7 0.3 1 323 39 39 SER CA C 58.7 0.3 1 324 39 39 SER CB C 63.7 0.3 1 325 39 39 SER N N 125.4 0.3 1 326 40 40 GLY H H 7.50 0.02 1 327 40 40 GLY HA2 H 3.93 0.02 1 328 40 40 GLY HA3 H 3.93 0.02 1 329 40 40 GLY C C 178.7 0.3 1 330 40 40 GLY CA C 46.0 0.3 1 331 40 40 GLY N N 108.2 0.3 1 332 41 41 VAL H H 8.16 0.02 1 333 41 41 VAL HA H 4.99 0.02 1 334 41 41 VAL HB H 1.85 0.02 1 335 41 41 VAL HG1 H 0.71 0.02 1 336 41 41 VAL HG2 H 0.65 0.02 1 337 41 41 VAL C C 174.1 0.3 1 338 41 41 VAL CA C 60.7 0.3 1 339 41 41 VAL CB C 35.8 0.3 1 340 41 41 VAL CG1 C 22.4 0.3 1 341 41 41 VAL CG2 C 21.7 0.3 1 342 41 41 VAL N N 120.4 0.3 1 343 42 42 GLU H H 9.14 0.02 1 344 42 42 GLU HA H 4.56 0.02 1 345 42 42 GLU HB2 H 1.88 0.02 1 346 42 42 GLU HB3 H 1.88 0.02 1 347 42 42 GLU HG2 H 2.12 0.02 1 348 42 42 GLU HG3 H 1.98 0.02 1 349 42 42 GLU C C 175.5 0.3 1 350 42 42 GLU CA C 54.4 0.3 1 351 42 42 GLU CB C 33.0 0.3 1 352 42 42 GLU CG C 36.1 0.3 1 353 42 42 GLU N N 126.1 0.3 1 354 43 43 MET H H 9.01 0.02 1 355 43 43 MET HA H 5.10 0.02 1 356 43 43 MET HB2 H 2.03 0.02 1 357 43 43 MET HB3 H 2.03 0.02 1 358 43 43 MET HG2 H 2.52 0.02 1 359 43 43 MET HG3 H 2.24 0.02 1 360 43 43 MET HE H 1.95 0.02 1 361 43 43 MET C C 176.5 0.3 1 362 43 43 MET CA C 53.1 0.3 1 363 43 43 MET CB C 33.9 0.3 1 364 43 43 MET CG C 32.0 0.3 1 365 43 43 MET CE C 17.0 0.3 1 366 43 43 MET N N 125.3 0.3 1 367 44 44 SER H H 8.64 0.02 1 368 44 44 SER HA H 4.26 0.02 1 369 44 44 SER HB2 H 3.42 0.02 1 370 44 44 SER HB3 H 3.42 0.02 1 371 44 44 SER CA C 58.6 0.3 1 372 44 44 SER CB C 63.8 0.3 1 373 44 44 SER N N 118.5 0.3 1 374 45 45 ARG HA H 3.87 0.02 1 375 45 45 ARG HB2 H 1.77 0.02 1 376 45 45 ARG HB3 H 1.77 0.02 1 377 45 45 ARG HG2 H 1.60 0.02 1 378 45 45 ARG HG3 H 1.60 0.02 1 379 45 45 ARG HD2 H 3.09 0.02 1 380 45 45 ARG HD3 H 3.09 0.02 1 381 45 45 ARG C C 176.7 0.3 1 382 45 45 ARG CA C 59.2 0.3 1 383 45 45 ARG CB C 29.7 0.3 1 384 45 45 ARG CG C 27.2 0.3 1 385 45 45 ARG CD C 43.1 0.3 1 386 46 46 ASP H H 7.81 0.02 1 387 46 46 ASP HA H 4.29 0.02 1 388 46 46 ASP HB2 H 2.93 0.02 1 389 46 46 ASP HB3 H 2.46 0.02 1 390 46 46 ASP C C 176.1 0.3 1 391 46 46 ASP CA C 52.8 0.3 1 392 46 46 ASP CB C 40.2 0.3 1 393 46 46 ASP N N 114.3 0.3 1 394 47 47 LEU H H 7.90 0.02 1 395 47 47 LEU HA H 3.56 0.02 1 396 47 47 LEU HB2 H 1.96 0.02 1 397 47 47 LEU HB3 H 1.96 0.02 1 398 47 47 LEU HG H 0.76 0.02 1 399 47 47 LEU HD1 H 0.76 0.02 1 400 47 47 LEU C C 174.6 0.3 1 401 47 47 LEU CA C 56.8 0.3 1 402 47 47 LEU CB C 38.6 0.3 1 403 47 47 LEU CG C 25.8 0.3 1 404 47 47 LEU CD1 C 23.4 0.3 1 405 47 47 LEU CD2 C 23.4 0.3 1 406 47 47 LEU N N 114.2 0.3 1 407 48 48 ALA H H 7.43 0.02 1 408 48 48 ALA HA H 3.84 0.02 1 409 48 48 ALA HB H 0.97 0.02 1 410 48 48 ALA C C 177.2 0.3 1 411 48 48 ALA CA C 53.2 0.3 1 412 48 48 ALA CB C 19.7 0.3 1 413 48 48 ALA N N 118.5 0.3 1 414 49 49 TYR H H 7.86 0.02 1 415 49 49 TYR HA H 4.87 0.02 1 416 49 49 TYR HB2 H 2.88 0.02 1 417 49 49 TYR HB3 H 2.59 0.02 1 418 49 49 TYR HD1 H 6.94 0.02 1 419 49 49 TYR C C 173.2 0.3 1 420 49 49 TYR CA C 56.6 0.3 1 421 49 49 TYR CB C 41.7 0.3 1 422 49 49 TYR N N 116.2 0.3 1 423 50 50 ALA H H 8.79 0.02 1 424 50 50 ALA HA H 5.08 0.02 1 425 50 50 ALA HB H 0.88 0.02 1 426 50 50 ALA C C 175.5 0.3 1 427 50 50 ALA CA C 50.4 0.3 1 428 50 50 ALA CB C 22.3 0.3 1 429 50 50 ALA N N 123.5 0.3 1 430 51 51 LYS H H 8.72 0.02 1 431 51 51 LYS HA H 4.67 0.02 1 432 51 51 LYS HB2 H 1.56 0.02 1 433 51 51 LYS HB3 H 1.56 0.02 1 434 51 51 LYS HG2 H 1.40 0.02 1 435 51 51 LYS HG3 H 1.40 0.02 1 436 51 51 LYS C C 174.4 0.3 1 437 51 51 LYS CA C 55.1 0.3 1 438 51 51 LYS CB C 34.0 0.3 1 439 51 51 LYS CG C 25.4 0.3 1 440 51 51 LYS CD C 29.5 0.3 1 441 51 51 LYS CE C 42.7 0.3 1 442 51 51 LYS N N 123.3 0.3 1 443 52 52 VAL H H 8.72 0.02 1 444 52 52 VAL HA H 4.17 0.02 1 445 52 52 VAL HB H 1.26 0.02 1 446 52 52 VAL HG1 H 0.77 0.02 1 447 52 52 VAL HG2 H 0.26 0.02 1 448 52 52 VAL C C 173.6 0.3 1 449 52 52 VAL CA C 61.1 0.3 1 450 52 52 VAL CB C 32.3 0.3 1 451 52 52 VAL CG1 C 22.5 0.3 1 452 52 52 VAL CG2 C 20.6 0.3 1 453 52 52 VAL N N 124.2 0.3 1 454 53 53 TYR H H 8.74 0.02 1 455 53 53 TYR HA H 5.18 0.02 1 456 53 53 TYR HB2 H 3.05 0.02 1 457 53 53 TYR HB3 H 2.84 0.02 1 458 53 53 TYR HD1 H 6.57 0.02 1 459 53 53 TYR C C 176.1 0.3 1 460 53 53 TYR CA C 57.3 0.3 1 461 53 53 TYR CB C 39.5 0.3 1 462 53 53 TYR N N 127.2 0.3 1 463 54 54 VAL H H 8.61 0.02 1 464 54 54 VAL HA H 5.38 0.02 1 465 54 54 VAL HB H 1.96 0.02 1 466 54 54 VAL HG1 H 0.76 0.02 1 467 54 54 VAL HG2 H 0.59 0.02 1 468 54 54 VAL C C 174.5 0.3 1 469 54 54 VAL CA C 58.5 0.3 1 470 54 54 VAL CB C 35.8 0.3 1 471 54 54 VAL CG1 C 22.0 0.3 1 472 54 54 VAL CG2 C 19.1 0.3 1 473 54 54 VAL N N 115.3 0.3 1 474 55 55 THR H H 8.50 0.02 1 475 55 55 THR HA H 4.30 0.02 1 476 55 55 THR HB H 4.03 0.02 1 477 55 55 THR HG2 H 0.95 0.02 1 478 55 55 THR CA C 60.2 0.3 1 479 55 55 THR CB C 71.1 0.3 1 480 55 55 THR CG2 C 21.5 0.3 1 481 55 55 THR N N 112.0 0.3 1 482 56 56 PHE HD1 H 6.87 0.02 1 483 57 57 LEU HA H 4.14 0.02 1 484 57 57 LEU HB2 H 1.59 0.02 1 485 57 57 LEU HB3 H 1.59 0.02 1 486 57 57 LEU HG H 1.59 0.02 1 487 57 57 LEU HD1 H 0.83 0.02 1 488 57 57 LEU HD2 H 0.79 0.02 1 489 57 57 LEU C C 177.4 0.3 1 490 57 57 LEU CA C 56.6 0.3 1 491 57 57 LEU CB C 42.5 0.3 1 492 57 57 LEU CG C 27.0 0.3 1 493 57 57 LEU CD1 C 24.8 0.3 1 494 57 57 LEU CD2 C 23.8 0.3 1 495 58 58 ASN H H 8.14 0.02 1 496 58 58 ASN HA H 4.75 0.02 1 497 58 58 ASN HB2 H 2.86 0.02 1 498 58 58 ASN HB3 H 2.56 0.02 1 499 58 58 ASN C C 174.2 0.3 1 500 58 58 ASN CA C 52.4 0.3 1 501 58 58 ASN CB C 37.9 0.3 1 502 58 58 ASN N N 116.1 0.3 1 503 59 59 ASP H H 7.98 0.02 1 504 59 59 ASP HA H 4.32 0.02 1 505 59 59 ASP HB2 H 2.58 0.02 1 506 59 59 ASP HB3 H 2.58 0.02 1 507 59 59 ASP C C 176.4 0.3 1 508 59 59 ASP CA C 53.7 0.3 1 509 59 59 ASP CB C 40.7 0.3 1 510 59 59 ASP N N 119.5 0.3 1 511 60 60 LYS H H 7.90 0.02 1 512 60 60 LYS HA H 4.07 0.02 1 513 60 60 LYS HB2 H 1.75 0.02 1 514 60 60 LYS HB3 H 1.69 0.02 1 515 60 60 LYS HG2 H 1.36 0.02 1 516 60 60 LYS HG3 H 1.36 0.02 1 517 60 60 LYS HD2 H 1.48 0.02 1 518 60 60 LYS HD3 H 1.48 0.02 1 519 60 60 LYS HE2 H 2.83 0.02 1 520 60 60 LYS HE3 H 2.83 0.02 1 521 60 60 LYS C C 176.1 0.3 1 522 60 60 LYS CA C 56.6 0.3 1 523 60 60 LYS CB C 32.5 0.3 1 524 60 60 LYS CG C 24.7 0.3 1 525 60 60 LYS CD C 28.6 0.3 1 526 60 60 LYS CE C 41.7 0.3 1 527 60 60 LYS N N 117.9 0.3 1 528 61 61 ASP H H 7.57 0.02 1 529 61 61 ASP HA H 4.54 0.02 1 530 61 61 ASP HB2 H 2.56 0.02 1 531 61 61 ASP HB3 H 2.52 0.02 1 532 61 61 ASP C C 175.5 0.3 1 533 61 61 ASP CA C 52.5 0.3 1 534 61 61 ASP CB C 41.4 0.3 1 535 61 61 ASP N N 118.8 0.3 1 536 62 62 GLU HA H 3.71 0.02 1 537 62 62 GLU HB2 H 1.89 0.02 1 538 62 62 GLU HB3 H 1.89 0.02 1 539 62 62 GLU HG2 H 2.14 0.02 1 540 62 62 GLU HG3 H 2.14 0.02 1 541 62 62 GLU C C 178.5 0.3 1 542 62 62 GLU CA C 59.6 0.3 1 543 62 62 GLU CB C 29.8 0.3 1 544 62 62 GLU CG C 36.4 0.3 1 545 63 63 ASP H H 8.14 0.02 1 546 63 63 ASP HA H 4.25 0.02 1 547 63 63 ASP HB2 H 2.58 0.02 1 548 63 63 ASP HB3 H 2.45 0.02 1 549 63 63 ASP C C 178.6 0.3 1 550 63 63 ASP CA C 57.3 0.3 1 551 63 63 ASP CB C 40.0 0.3 1 552 63 63 ASP N N 118.9 0.3 1 553 64 64 ALA H H 7.82 0.02 1 554 64 64 ALA HA H 3.95 0.02 1 555 64 64 ALA HB H 1.29 0.02 1 556 64 64 ALA C C 181.1 0.3 1 557 64 64 ALA CA C 54.6 0.3 1 558 64 64 ALA CB C 18.0 0.3 1 559 64 64 ALA N N 124.9 0.3 1 560 65 65 VAL H H 7.80 0.02 1 561 65 65 VAL HA H 3.14 0.02 1 562 65 65 VAL HB H 1.72 0.02 1 563 65 65 VAL HG1 H 0.44 0.02 1 564 65 65 VAL HG2 H 0.21 0.02 1 565 65 65 VAL C C 177.5 0.3 1 566 65 65 VAL CA C 66.4 0.3 1 567 65 65 VAL CB C 31.4 0.3 1 568 65 65 VAL CG1 C 22.2 0.3 1 569 65 65 VAL CG2 C 20.7 0.3 1 570 65 65 VAL N N 120.4 0.3 1 571 66 66 LYS H H 7.80 0.02 1 572 66 66 LYS HA H 3.71 0.02 1 573 66 66 LYS HB2 H 1.72 0.02 1 574 66 66 LYS HB3 H 1.72 0.02 1 575 66 66 LYS HG2 H 1.53 0.02 1 576 66 66 LYS HG3 H 1.29 0.02 1 577 66 66 LYS HD2 H 1.59 0.02 1 578 66 66 LYS HD3 H 1.54 0.02 1 579 66 66 LYS HE2 H 2.84 0.02 1 580 66 66 LYS HE3 H 2.84 0.02 1 581 66 66 LYS C C 179.7 0.3 1 582 66 66 LYS CA C 59.9 0.3 1 583 66 66 LYS CB C 32.4 0.3 1 584 66 66 LYS CG C 25.8 0.3 1 585 66 66 LYS CD C 29.5 0.3 1 586 66 66 LYS CE C 42.0 0.3 1 587 66 66 LYS N N 118.0 0.3 1 588 67 67 ALA H H 7.83 0.02 1 589 67 67 ALA HA H 4.01 0.02 1 590 67 67 ALA HB H 1.28 0.02 1 591 67 67 ALA C C 179.5 0.3 1 592 67 67 ALA CA C 54.6 0.3 1 593 67 67 ALA CB C 17.9 0.3 1 594 67 67 ALA N N 121.1 0.3 1 595 68 68 GLY H H 7.95 0.02 1 596 68 68 GLY HA2 H 3.30 0.02 1 597 68 68 GLY HA3 H 3.29 0.02 1 598 68 68 GLY C C 175.0 0.3 1 599 68 68 GLY CA C 47.1 0.3 1 600 68 68 GLY N N 107.7 0.3 1 601 69 69 ILE H H 8.15 0.02 1 602 69 69 ILE HA H 3.68 0.02 1 603 69 69 ILE HB H 2.04 0.02 1 604 69 69 ILE HG12 H 1.78 0.02 1 605 69 69 ILE HG13 H 1.48 0.02 1 606 69 69 ILE HG2 H 0.75 0.02 1 607 69 69 ILE HD1 H 0.62 0.02 1 608 69 69 ILE C C 177.8 0.3 1 609 69 69 ILE CA C 62.2 0.3 1 610 69 69 ILE CB C 35.2 0.3 1 611 69 69 ILE CG1 C 26.7 0.3 1 612 69 69 ILE CG2 C 17.4 0.3 1 613 69 69 ILE CD1 C 10.0 0.3 1 614 69 69 ILE N N 121.2 0.3 1 615 70 70 LYS H H 7.70 0.02 1 616 70 70 LYS HA H 3.93 0.02 1 617 70 70 LYS HB2 H 1.84 0.02 1 618 70 70 LYS HB3 H 1.73 0.02 1 619 70 70 LYS HG2 H 1.37 0.02 1 620 70 70 LYS HG3 H 1.38 0.02 1 621 70 70 LYS HD2 H 1.52 0.02 1 622 70 70 LYS HD3 H 1.52 0.02 1 623 70 70 LYS HE2 H 2.84 0.02 1 624 70 70 LYS HE3 H 2.84 0.02 1 625 70 70 LYS C C 178.2 0.3 1 626 70 70 LYS CA C 59.2 0.3 1 627 70 70 LYS CB C 32.2 0.3 1 628 70 70 LYS CG C 24.7 0.3 1 629 70 70 LYS CD C 28.8 0.3 1 630 70 70 LYS CE C 42.1 0.3 1 631 70 70 LYS N N 120.2 0.3 1 632 71 71 ALA H H 7.83 0.02 1 633 71 71 ALA HA H 3.80 0.02 1 634 71 71 ALA HB H 1.18 0.02 1 635 71 71 ALA C C 180.8 0.3 1 636 71 71 ALA CA C 55.1 0.3 1 637 71 71 ALA CB C 18.0 0.3 1 638 71 71 ALA N N 120.6 0.3 1 639 72 72 LEU H H 7.55 0.02 1 640 72 72 LEU HA H 3.37 0.02 1 641 72 72 LEU HB2 H 2.58 0.02 1 642 72 72 LEU HB3 H 2.46 0.02 1 643 72 72 LEU HG H 0.54 0.02 1 644 72 72 LEU HD1 H 0.26 0.02 1 645 72 72 LEU HD2 H 0.26 0.02 1 646 72 72 LEU C C 177.6 0.3 1 647 72 72 LEU CA C 57.4 0.3 1 648 72 72 LEU CB C 39.9 0.3 1 649 72 72 LEU CG C 26.8 0.3 1 650 72 72 LEU CD1 C 23.4 0.3 1 651 72 72 LEU CD2 C 23.4 0.3 1 652 72 72 LEU N N 119.1 0.3 1 653 73 73 GLN H H 8.35 0.02 1 654 73 73 GLN HA H 3.92 0.02 1 655 73 73 GLN HB2 H 2.15 0.02 1 656 73 73 GLN HB3 H 2.15 0.02 1 657 73 73 GLN HG2 H 2.41 0.02 1 658 73 73 GLN HG3 H 2.41 0.02 1 659 73 73 GLN HE21 H 7.44 0.02 1 660 73 73 GLN HE22 H 6.68 0.02 1 661 73 73 GLN C C 181.3 0.3 1 662 73 73 GLN CA C 58.9 0.3 1 663 73 73 GLN CB C 28.6 0.3 1 664 73 73 GLN CG C 34.2 0.3 1 665 73 73 GLN N N 118.3 0.3 1 666 73 73 GLN NE2 N 111.5 0.3 1 667 74 74 GLU H H 8.69 0.02 1 668 74 74 GLU HA H 4.00 0.02 1 669 74 74 GLU HB2 H 2.03 0.02 1 670 74 74 GLU HB3 H 2.03 0.02 1 671 74 74 GLU HG2 H 2.51 0.02 1 672 74 74 GLU HG3 H 2.22 0.02 1 673 74 74 GLU C C 178.2 0.3 1 674 74 74 GLU CA C 59.1 0.3 1 675 74 74 GLU CB C 29.5 0.3 1 676 74 74 GLU CG C 36.9 0.3 1 677 74 74 GLU N N 120.0 0.3 1 678 75 75 ALA H H 7.41 0.02 1 679 75 75 ALA HA H 4.62 0.02 1 680 75 75 ALA HB H 1.41 0.02 1 681 75 75 ALA C C 178.1 0.3 1 682 75 75 ALA CA C 51.7 0.3 1 683 75 75 ALA CB C 18.3 0.3 1 684 75 75 ALA N N 120.3 0.3 1 685 76 76 SER H H 7.71 0.02 1 686 76 76 SER HA H 3.87 0.02 1 687 76 76 SER HB2 H 3.88 0.02 1 688 76 76 SER HB3 H 3.88 0.02 1 689 76 76 SER CA C 63.4 0.3 1 690 76 76 SER CB C 63.0 0.3 1 691 76 76 SER N N 116.3 0.3 1 692 77 77 GLY H H 8.73 0.02 1 693 77 77 GLY HA2 H 3.65 0.02 1 694 77 77 GLY HA3 H 3.56 0.02 1 695 77 77 GLY C C 176.3 0.3 1 696 77 77 GLY CA C 47.4 0.3 1 697 77 77 GLY N N 111.2 0.3 1 698 78 78 PHE H H 7.99 0.02 1 699 78 78 PHE HA H 4.41 0.02 1 700 78 78 PHE HB2 H 3.16 0.02 1 701 78 78 PHE HB3 H 3.11 0.02 1 702 78 78 PHE HD1 H 7.08 0.02 1 703 78 78 PHE C C 178.0 0.3 1 704 78 78 PHE CA C 59.8 0.3 1 705 78 78 PHE CB C 39.1 0.3 1 706 78 78 PHE N N 125.9 0.3 1 707 79 79 ILE H H 8.73 0.02 1 708 79 79 ILE HA H 3.20 0.02 1 709 79 79 ILE HB H 1.81 0.02 1 710 79 79 ILE HG12 H 1.91 0.02 1 711 79 79 ILE HG13 H 0.68 0.02 1 712 79 79 ILE HG2 H 0.79 0.02 1 713 79 79 ILE HD1 H 0.67 0.02 1 714 79 79 ILE C C 177.5 0.3 1 715 79 79 ILE CA C 66.2 0.3 1 716 79 79 ILE CB C 38.2 0.3 1 717 79 79 ILE CG1 C 29.6 0.3 1 718 79 79 ILE CG2 C 17.3 0.3 1 719 79 79 ILE CD1 C 14.4 0.3 1 720 79 79 ILE N N 119.7 0.3 1 721 80 80 ARG H H 8.76 0.02 1 722 80 80 ARG HA H 3.62 0.02 1 723 80 80 ARG HB2 H 1.84 0.02 1 724 80 80 ARG HB3 H 1.84 0.02 1 725 80 80 ARG HG2 H 1.48 0.02 1 726 80 80 ARG HG3 H 1.48 0.02 1 727 80 80 ARG HD2 H 3.11 0.02 1 728 80 80 ARG HD3 H 3.11 0.02 1 729 80 80 ARG C C 178.1 0.3 1 730 80 80 ARG CA C 60.6 0.3 1 731 80 80 ARG CB C 30.4 0.3 1 732 80 80 ARG CG C 26.7 0.3 1 733 80 80 ARG CD C 43.2 0.3 1 734 80 80 ARG N N 118.6 0.3 1 735 81 81 SER H H 7.77 0.02 1 736 81 81 SER HA H 4.08 0.02 1 737 81 81 SER HB2 H 3.92 0.02 1 738 81 81 SER HB3 H 3.92 0.02 1 739 81 81 SER C C 177.5 0.3 1 740 81 81 SER CA C 61.3 0.3 1 741 81 81 SER CB C 62.4 0.3 1 742 81 81 SER N N 115.0 0.3 1 743 82 82 LEU H H 7.55 0.02 1 744 82 82 LEU HA H 3.88 0.02 1 745 82 82 LEU HB2 H 1.61 0.02 1 746 82 82 LEU HB3 H 1.61 0.02 1 747 82 82 LEU HG H 0.23 0.02 1 748 82 82 LEU HD1 H 0.44 0.02 1 749 82 82 LEU HD2 H 0.54 0.02 1 750 82 82 LEU C C 180.4 0.3 1 751 82 82 LEU CA C 57.6 0.3 1 752 82 82 LEU CB C 41.6 0.3 1 753 82 82 LEU CG C 26.4 0.3 1 754 82 82 LEU CD1 C 22.3 0.3 1 755 82 82 LEU CD2 C 22.3 0.3 1 756 82 82 LEU N N 122.5 0.3 1 757 83 83 LEU H H 8.71 0.02 1 758 83 83 LEU HA H 3.78 0.02 1 759 83 83 LEU HB2 H 1.52 0.02 1 760 83 83 LEU HB3 H 1.52 0.02 1 761 83 83 LEU HG H 1.51 0.02 1 762 83 83 LEU HD1 H 0.73 0.02 1 763 83 83 LEU HD2 H 0.66 0.02 1 764 83 83 LEU C C 178.6 0.3 1 765 83 83 LEU CA C 57.8 0.3 1 766 83 83 LEU CB C 42.6 0.3 1 767 83 83 LEU CG C 26.7 0.3 1 768 83 83 LEU CD1 C 24.9 0.3 1 769 83 83 LEU CD2 C 23.3 0.3 1 770 83 83 LEU N N 123.4 0.3 1 771 84 84 GLY H H 8.21 0.02 1 772 84 84 GLY HA2 H 3.63 0.02 1 773 84 84 GLY HA3 H 3.68 0.02 1 774 84 84 GLY C C 175.5 0.3 1 775 84 84 GLY CA C 47.5 0.3 1 776 84 84 GLY N N 104.5 0.3 1 777 85 85 LYS H H 7.01 0.02 1 778 85 85 LYS HA H 4.07 0.02 1 779 85 85 LYS HB2 H 1.77 0.02 1 780 85 85 LYS HB3 H 1.30 0.02 1 781 85 85 LYS HG2 H 1.44 0.02 1 782 85 85 LYS HG3 H 1.44 0.02 1 783 85 85 LYS HD2 H 1.52 0.02 1 784 85 85 LYS HD3 H 1.52 0.02 1 785 85 85 LYS C C 178.2 0.3 1 786 85 85 LYS CA C 58.0 0.3 1 787 85 85 LYS CB C 32.8 0.3 1 788 85 85 LYS CG C 24.9 0.3 1 789 85 85 LYS CD C 29.3 0.3 1 790 85 85 LYS N N 118.3 0.3 1 791 86 86 ALA H H 7.78 0.02 1 792 86 86 ALA HA H 4.05 0.02 1 793 86 86 ALA HB H 1.33 0.02 1 794 86 86 ALA C C 178.9 0.3 1 795 86 86 ALA CA C 54.4 0.3 1 796 86 86 ALA CB C 19.5 0.3 1 797 86 86 ALA N N 121.3 0.3 1 798 87 87 MET H H 8.01 0.02 1 799 87 87 MET HA H 4.27 0.02 1 800 87 87 MET HB2 H 2.11 0.02 1 801 87 87 MET HB3 H 2.11 0.02 1 802 87 87 MET HG2 H 2.36 0.02 1 803 87 87 MET HG3 H 2.28 0.02 1 804 87 87 MET HE H 1.91 0.02 1 805 87 87 MET C C 174.5 0.3 1 806 87 87 MET CA C 55.4 0.3 1 807 87 87 MET CB C 34.5 0.3 1 808 87 87 MET CG C 32.6 0.3 1 809 87 87 MET CE C 10.4 0.3 1 810 87 87 MET N N 112.8 0.3 1 811 88 88 ARG H H 7.77 0.02 1 812 88 88 ARG HA H 3.95 0.02 1 813 88 88 ARG HB2 H 1.51 0.02 1 814 88 88 ARG HB3 H 1.51 0.02 1 815 88 88 ARG HG2 H 1.41 0.02 1 816 88 88 ARG HG3 H 1.41 0.02 1 817 88 88 ARG HD2 H 3.05 0.02 1 818 88 88 ARG HD3 H 3.05 0.02 1 819 88 88 ARG C C 175.6 0.3 1 820 88 88 ARG CA C 56.2 0.3 1 821 88 88 ARG CB C 27.1 0.3 1 822 88 88 ARG CG C 27.0 0.3 1 823 88 88 ARG CD C 43.3 0.3 1 824 88 88 ARG N N 118.3 0.3 1 825 89 89 LEU H H 7.66 0.02 1 826 89 89 LEU HA H 4.32 0.02 1 827 89 89 LEU HB2 H 1.34 0.02 1 828 89 89 LEU HB3 H 1.26 0.02 1 829 89 89 LEU HG H 0.77 0.02 1 830 89 89 LEU HD1 H 0.76 0.02 1 831 89 89 LEU CA C 53.6 0.3 1 832 89 89 LEU CB C 44.3 0.3 1 833 89 89 LEU CG C 25.7 0.3 1 834 89 89 LEU CD1 C 23.0 0.3 1 835 89 89 LEU CD2 C 23.0 0.3 1 836 89 89 LEU N N 119.7 0.3 1 837 90 90 ARG HA H 3.94 0.02 1 838 90 90 ARG HB2 H 1.48 0.02 1 839 90 90 ARG HB3 H 1.48 0.02 1 840 90 90 ARG HD2 H 3.04 0.02 1 841 90 90 ARG HD3 H 3.04 0.02 1 842 90 90 ARG C C 176.4 0.3 1 843 90 90 ARG CA C 58.1 0.3 1 844 90 90 ARG CB C 30.5 0.3 1 845 90 90 ARG CG C 27.3 0.3 1 846 90 90 ARG CD C 43.1 0.3 1 847 91 91 ILE H H 7.44 0.02 1 848 91 91 ILE HA H 4.02 0.02 1 849 91 91 ILE HB H 1.53 0.02 1 850 91 91 ILE HG12 H 1.21 0.02 1 851 91 91 ILE HG13 H 0.86 0.02 1 852 91 91 ILE HG2 H 0.55 0.02 1 853 91 91 ILE HD1 H 0.65 0.02 1 854 91 91 ILE C C 174.2 0.3 1 855 91 91 ILE CA C 59.3 0.3 1 856 91 91 ILE CB C 39.6 0.3 1 857 91 91 ILE CG1 C 26.9 0.3 1 858 91 91 ILE CG2 C 16.9 0.3 1 859 91 91 ILE CD1 C 12.6 0.3 1 860 91 91 ILE N N 117.4 0.3 1 861 92 92 VAL H H 8.62 0.02 1 862 92 92 VAL HA H 4.14 0.02 1 863 92 92 VAL HB H 1.78 0.02 1 864 92 92 VAL HG1 H 0.91 0.02 1 865 92 92 VAL C C 174.5 0.3 1 866 92 92 VAL CA C 59.2 0.3 1 867 92 92 VAL CB C 32.5 0.3 1 868 92 92 VAL CG1 C 21.6 0.3 1 869 92 92 VAL CG2 C 21.6 0.3 1 870 92 92 VAL N N 128.1 0.3 1 871 93 93 PRO HA H 3.98 0.02 1 872 93 93 PRO HB2 H 1.77 0.02 1 873 93 93 PRO HB3 H 1.31 0.02 1 874 93 93 PRO HG2 H 1.70 0.02 1 875 93 93 PRO HG3 H 1.48 0.02 1 876 93 93 PRO HD2 H 3.67 0.02 1 877 93 93 PRO HD3 H 3.67 0.02 1 878 93 93 PRO C C 176.1 0.3 1 879 93 93 PRO CA C 62.8 0.3 1 880 93 93 PRO CB C 31.4 0.3 1 881 93 93 PRO CG C 26.8 0.3 1 882 93 93 PRO CD C 50.8 0.3 1 883 94 94 GLU H H 7.52 0.02 1 884 94 94 GLU HA H 3.90 0.02 1 885 94 94 GLU HB2 H 1.91 0.02 1 886 94 94 GLU HB3 H 1.79 0.02 1 887 94 94 GLU HG2 H 2.10 0.02 1 888 94 94 GLU HG3 H 2.10 0.02 1 889 94 94 GLU C C 175.9 0.3 1 890 94 94 GLU CA C 56.8 0.3 1 891 94 94 GLU CB C 30.3 0.3 1 892 94 94 GLU CG C 36.0 0.3 1 893 94 94 GLU N N 119.8 0.3 1 894 95 95 LEU H H 8.44 0.02 1 895 95 95 LEU HA H 4.88 0.02 1 896 95 95 LEU HB2 H 1.54 0.02 1 897 95 95 LEU HB3 H 1.54 0.02 1 898 95 95 LEU HD1 H 0.32 0.02 1 899 95 95 LEU C C 176.7 0.3 1 900 95 95 LEU CA C 53.7 0.3 1 901 95 95 LEU CB C 44.4 0.3 1 902 95 95 LEU CG C 26.5 0.3 1 903 95 95 LEU CD1 C 23.5 0.3 1 904 95 95 LEU CD2 C 23.5 0.3 1 905 95 95 LEU N N 123.0 0.3 1 906 96 96 THR H H 7.98 0.02 1 907 96 96 THR HA H 4.57 0.02 1 908 96 96 THR HB H 3.71 0.02 1 909 96 96 THR HG2 H 0.80 0.02 1 910 96 96 THR CA C 61.4 0.3 1 911 96 96 THR CB C 70.7 0.3 1 912 96 96 THR CG2 C 22.7 0.3 1 913 96 96 THR N N 117.8 0.3 1 914 97 97 PHE H H 8.35 0.02 1 915 97 97 PHE HA H 5.06 0.02 1 916 97 97 PHE HB2 H 3.07 0.02 1 917 97 97 PHE HB3 H 2.87 0.02 1 918 97 97 PHE HD1 H 6.83 0.02 1 919 97 97 PHE C C 174.2 0.3 1 920 97 97 PHE CA C 57.5 0.3 1 921 97 97 PHE CB C 41.3 0.3 1 922 97 97 PHE N N 123.8 0.3 1 923 98 98 PHE H H 8.97 0.02 1 924 98 98 PHE HA H 4.51 0.02 1 925 98 98 PHE HB2 H 2.06 0.02 1 926 98 98 PHE HB3 H 2.87 0.02 1 927 98 98 PHE C C 174.1 0.3 1 928 98 98 PHE CA C 56.5 0.3 1 929 98 98 PHE CB C 44.1 0.3 1 930 98 98 PHE N N 119.1 0.3 1 931 99 99 TYR H H 8.98 0.02 1 932 99 99 TYR HA H 4.72 0.02 1 933 99 99 TYR HB2 H 2.92 0.02 1 934 99 99 TYR HB3 H 2.87 0.02 1 935 99 99 TYR HD1 H 6.85 0.02 1 936 99 99 TYR C C 175.3 0.3 1 937 99 99 TYR CA C 57.7 0.3 1 938 99 99 TYR CB C 39.3 0.3 1 939 99 99 TYR N N 122.7 0.3 1 940 100 100 ASP H H 8.42 0.02 1 941 100 100 ASP HA H 4.42 0.02 1 942 100 100 ASP HB2 H 2.57 0.02 1 943 100 100 ASP HB3 H 2.54 0.02 1 944 100 100 ASP CA C 53.2 0.3 1 945 100 100 ASP CB C 40.9 0.3 1 946 100 100 ASP N N 128.0 0.3 1 947 101 101 ASN H H 7.92 0.02 1 948 101 101 ASN HA H 4.45 0.02 1 949 101 101 ASN HB2 H 2.74 0.02 1 950 101 101 ASN HB3 H 2.64 0.02 1 951 101 101 ASN C C 176.0 0.3 1 952 101 101 ASN CA C 52.8 0.3 1 953 101 101 ASN CB C 38.7 0.3 1 954 101 101 ASN N N 122.9 0.3 1 955 102 102 SER H H 8.23 0.02 1 956 102 102 SER HA H 4.04 0.02 1 957 102 102 SER HB2 H 3.69 0.02 1 958 102 102 SER HB3 H 3.69 0.02 1 959 102 102 SER C C 174.1 0.3 1 960 102 102 SER CA C 60.2 0.3 1 961 102 102 SER CB C 63.3 0.3 1 962 102 102 SER N N 115.8 0.3 1 963 103 103 LEU H H 7.91 0.02 1 964 103 103 LEU HA H 4.17 0.02 1 965 103 103 LEU HB2 H 1.50 0.02 1 966 103 103 LEU HB3 H 1.43 0.02 1 967 103 103 LEU HG H 1.48 0.02 1 968 103 103 LEU HD1 H 0.72 0.02 1 969 103 103 LEU HD2 H 0.67 0.02 1 970 103 103 LEU C C 177.7 0.3 1 971 103 103 LEU CA C 55.7 0.3 1 972 103 103 LEU CB C 41.9 0.3 1 973 103 103 LEU CG C 26.9 0.3 1 974 103 103 LEU CD1 C 24.8 0.3 1 975 103 103 LEU CD2 C 23.5 0.3 1 976 103 103 LEU N N 122.9 0.3 1 977 104 104 VAL H H 7.73 0.02 1 978 104 104 VAL HA H 3.88 0.02 1 979 104 104 VAL HB H 1.94 0.02 1 980 104 104 VAL HG1 H 0.81 0.02 1 981 104 104 VAL C C 176.7 0.3 1 982 104 104 VAL CA C 63.0 0.3 1 983 104 104 VAL CB C 32.5 0.3 1 984 104 104 VAL CG1 C 21.0 0.3 1 985 104 104 VAL CG2 C 21.0 0.3 1 986 104 104 VAL N N 120.0 0.3 1 987 105 105 GLU H H 8.36 0.02 1 988 105 105 GLU HA H 4.01 0.02 1 989 105 105 GLU HB2 H 1.89 0.02 1 990 105 105 GLU HB3 H 1.82 0.02 1 991 105 105 GLU HG2 H 2.12 0.02 1 992 105 105 GLU HG3 H 2.12 0.02 1 993 105 105 GLU C C 177.4 0.3 1 994 105 105 GLU CA C 57.4 0.3 1 995 105 105 GLU CB C 29.6 0.3 1 996 105 105 GLU CG C 36.2 0.3 1 997 105 105 GLU N N 123.5 0.3 1 998 106 106 GLY H H 8.22 0.02 1 999 106 106 GLY HA2 H 3.83 0.02 1 1000 106 106 GLY HA3 H 3.75 0.02 1 1001 106 106 GLY C C 174.5 0.3 1 1002 106 106 GLY CA C 45.5 0.3 1 1003 106 106 GLY N N 108.7 0.3 1 1004 107 107 MET H H 7.91 0.02 1 1005 107 107 MET HA H 4.29 0.02 1 1006 107 107 MET HB2 H 1.93 0.02 1 1007 107 107 MET HB3 H 1.93 0.02 1 1008 107 107 MET HG2 H 2.45 0.02 1 1009 107 107 MET HG3 H 2.38 0.02 1 1010 107 107 MET C C 176.3 0.3 1 1011 107 107 MET CA C 55.7 0.3 1 1012 107 107 MET CB C 32.8 0.3 1 1013 107 107 MET CG C 32.0 0.3 1 1014 107 107 MET N N 119.5 0.3 1 1015 111 111 ASN HA H 4.57 0.02 1 1016 111 111 ASN C C 174.9 0.3 1 1017 111 111 ASN CA C 53.4 0.3 1 1018 111 111 ASN CB C 38.6 0.3 1 1019 112 112 LEU H H 7.94 0.02 1 1020 112 112 LEU HA H 4.20 0.02 1 1021 112 112 LEU HB2 H 1.51 0.02 1 1022 112 112 LEU HB3 H 1.43 0.02 1 1023 112 112 LEU HG H 1.47 0.02 1 1024 112 112 LEU HD1 H 0.78 0.02 1 1025 112 112 LEU C C 177.2 0.3 1 1026 112 112 LEU CA C 55.3 0.3 1 1027 112 112 LEU CB C 42.2 0.3 1 1028 112 112 LEU CG C 26.9 0.3 1 1029 112 112 LEU CD1 C 24.7 0.3 1 1030 112 112 LEU CD2 C 24.7 0.3 1 1031 112 112 LEU N N 121.5 0.3 1 1032 113 113 VAL H H 7.98 0.02 1 1033 113 113 VAL HA H 4.03 0.02 1 1034 113 113 VAL HB H 1.94 0.02 1 1035 113 113 VAL HG1 H 0.81 0.02 1 1036 113 113 VAL HG2 H 0.75 0.02 1 1037 113 113 VAL C C 176.2 0.3 1 1038 113 113 VAL CA C 62.4 0.3 1 1039 113 113 VAL CB C 32.5 0.3 1 1040 113 113 VAL CG1 C 20.7 0.3 1 1041 113 113 VAL CG2 C 21.1 0.3 1 1042 113 113 VAL N N 120.9 0.3 1 1043 114 114 THR H H 8.08 0.02 1 1044 114 114 THR HA H 4.25 0.02 1 1045 114 114 THR HB H 4.08 0.02 1 1046 114 114 THR HG2 H 1.05 0.02 1 1047 114 114 THR CA C 61.6 0.3 1 1048 114 114 THR CB C 69.7 0.3 1 1049 114 114 THR CG2 C 21.4 0.3 1 1050 114 114 THR N N 117.6 0.3 1 1051 115 115 SER HA H 4.36 0.02 1 1052 115 115 SER HB2 H 3.70 0.02 1 1053 115 115 SER HB3 H 3.70 0.02 1 1054 115 115 SER C C 174.1 0.3 1 1055 115 115 SER CA C 58.1 0.3 1 1056 115 115 SER CB C 63.7 0.3 1 1057 116 116 VAL H H 8.02 0.02 1 1058 116 116 VAL HA H 4.00 0.02 1 1059 116 116 VAL HB H 1.93 0.02 1 1060 116 116 VAL HG1 H 0.80 0.02 1 1061 116 116 VAL C C 175.9 0.3 1 1062 116 116 VAL CA C 62.3 0.3 1 1063 116 116 VAL CB C 32.6 0.3 1 1064 116 116 VAL CG1 C 20.6 0.3 1 1065 116 116 VAL CG2 C 20.6 0.3 1 1066 116 116 VAL N N 122.0 0.3 1 1067 117 117 VAL H H 8.08 0.02 1 1068 117 117 VAL HA H 3.89 0.02 1 1069 117 117 VAL HB H 1.88 0.02 1 1070 117 117 VAL HG1 H 0.77 0.02 1 1071 117 117 VAL C C 175.7 0.3 1 1072 117 117 VAL CA C 62.2 0.3 1 1073 117 117 VAL CB C 32.6 0.3 1 1074 117 117 VAL CG1 C 20.7 0.3 1 1075 117 117 VAL CG2 C 20.7 0.3 1 1076 117 117 VAL N N 124.7 0.3 1 1077 118 118 LYS H H 8.29 0.02 1 1078 118 118 LYS HA H 4.18 0.02 1 1079 118 118 LYS HB2 H 1.63 0.02 1 1080 118 118 LYS HB3 H 1.56 0.02 1 1081 118 118 LYS HG2 H 1.27 0.02 1 1082 118 118 LYS HG3 H 1.21 0.02 1 1083 118 118 LYS HD2 H 1.52 0.02 1 1084 118 118 LYS HD3 H 1.52 0.02 1 1085 118 118 LYS HE2 H 2.84 0.02 1 1086 118 118 LYS HE3 H 2.83 0.02 1 1087 118 118 LYS C C 176.0 0.3 1 1088 118 118 LYS CA C 55.8 0.3 1 1089 118 118 LYS CB C 33.0 0.3 1 1090 118 118 LYS CG C 24.6 0.3 1 1091 118 118 LYS CD C 29.0 0.3 1 1092 118 118 LYS CE C 42.1 0.3 1 1093 118 118 LYS N N 126.0 0.3 1 1094 120 120 ASP HA H 4.41 0.02 1 1095 120 120 ASP C C 176.2 0.3 1 1096 120 120 ASP CA C 54.4 0.3 1 1097 120 120 ASP CB C 40.9 0.3 1 1098 121 121 GLU H H 8.29 0.02 1 1099 121 121 GLU HA H 4.07 0.02 1 1100 121 121 GLU HB2 H 1.84 0.02 1 1101 121 121 GLU HB3 H 1.84 0.02 1 1102 121 121 GLU HG2 H 2.12 0.02 1 1103 121 121 GLU HG3 H 2.12 0.02 1 1104 121 121 GLU C C 176.6 0.3 1 1105 121 121 GLU CA C 56.7 0.3 1 1106 121 121 GLU CB C 30.0 0.3 1 1107 121 121 GLU CG C 36.2 0.3 1 1108 121 121 GLU N N 121.2 0.3 1 1109 122 122 GLU H H 8.26 0.02 1 1110 122 122 GLU HA H 4.07 0.02 1 1111 122 122 GLU HB2 H 1.84 0.02 1 1112 122 122 GLU HB3 H 1.84 0.02 1 1113 122 122 GLU HG2 H 2.12 0.02 1 1114 122 122 GLU HG3 H 2.12 0.02 1 1115 122 122 GLU C C 176.4 0.3 1 1116 122 122 GLU CA C 56.7 0.3 1 1117 122 122 GLU CB C 29.9 0.3 1 1118 122 122 GLU CG C 36.2 0.3 1 1119 122 122 GLU N N 121.5 0.3 1 1120 123 123 ARG H H 8.13 0.02 1 1121 123 123 ARG HA H 4.16 0.02 1 1122 123 123 ARG HB2 H 1.68 0.02 1 1123 123 123 ARG HB3 H 1.61 0.02 1 1124 123 123 ARG HG2 H 1.45 0.02 1 1125 123 123 ARG HG3 H 1.45 0.02 1 1126 123 123 ARG HD2 H 3.04 0.02 1 1127 123 123 ARG HD3 H 3.04 0.02 1 1128 123 123 ARG C C 175.9 0.3 1 1129 123 123 ARG CA C 55.9 0.3 1 1130 123 123 ARG CB C 30.5 0.3 1 1131 123 123 ARG CG C 26.9 0.3 1 1132 123 123 ARG CD C 43.2 0.3 1 1133 123 123 ARG N N 122.1 0.3 1 1134 124 124 ARG H H 8.21 0.02 1 1135 124 124 ARG HA H 4.21 0.02 1 1136 124 124 ARG HB2 H 1.68 0.02 1 1137 124 124 ARG HB3 H 1.61 0.02 1 1138 124 124 ARG HG2 H 1.45 0.02 1 1139 124 124 ARG HG3 H 1.45 0.02 1 1140 124 124 ARG HD2 H 3.04 0.02 1 1141 124 124 ARG HD3 H 3.04 0.02 1 1142 124 124 ARG C C 176.1 0.3 1 1143 124 124 ARG CA C 55.9 0.3 1 1144 124 124 ARG CB C 30.6 0.3 1 1145 124 124 ARG CG C 26.9 0.3 1 1146 124 124 ARG CD C 43.0 0.3 1 1147 124 124 ARG N N 122.8 0.3 1 1148 125 125 VAL H H 8.12 0.02 1 1149 125 125 VAL HA H 3.93 0.02 1 1150 125 125 VAL HB H 1.86 0.02 1 1151 125 125 VAL HG1 H 0.76 0.02 1 1152 125 125 VAL HG2 H 0.76 0.02 1 1153 125 125 VAL C C 175.4 0.3 1 1154 125 125 VAL CA C 62.1 0.3 1 1155 125 125 VAL CB C 32.7 0.3 1 1156 125 125 VAL CG1 C 20.6 0.3 1 1157 125 125 VAL CG2 C 21.0 0.3 1 1158 125 125 VAL N N 121.6 0.3 1 1159 126 126 ASN H H 8.54 0.02 1 1160 126 126 ASN HA H 4.86 0.02 1 1161 126 126 ASN HB2 H 2.78 0.02 1 1162 126 126 ASN HB3 H 2.56 0.02 1 1163 126 126 ASN HD21 H 7.56 0.02 1 1164 126 126 ASN HD22 H 7.56 0.02 1 1165 126 126 ASN CA C 50.9 0.3 1 1166 126 126 ASN CB C 38.8 0.3 1 1167 126 126 ASN N N 123.9 0.3 1 1168 126 126 ASN ND2 N 113.3 0.3 1 1169 127 127 PRO HA H 4.24 0.02 1 1170 127 127 PRO HB2 H 2.15 0.02 1 1171 127 127 PRO HB3 H 1.84 0.02 1 1172 127 127 PRO HG2 H 1.88 0.02 1 1173 127 127 PRO HG3 H 1.88 0.02 1 1174 127 127 PRO HD2 H 3.68 0.02 1 1175 127 127 PRO HD3 H 3.68 0.02 1 1176 127 127 PRO C C 176.7 0.3 1 1177 127 127 PRO CA C 63.7 0.3 1 1178 127 127 PRO CB C 32.0 0.3 1 1179 127 127 PRO CG C 27.1 0.3 1 1180 127 127 PRO CD C 50.7 0.3 1 1181 128 128 ASP H H 8.14 0.02 1 1182 128 128 ASP HA H 4.44 0.02 1 1183 128 128 ASP HB2 H 2.58 0.02 1 1184 128 128 ASP HB3 H 2.46 0.02 1 1185 128 128 ASP C C 176.1 0.3 1 1186 128 128 ASP CA C 54.5 0.3 1 1187 128 128 ASP CB C 40.7 0.3 1 1188 128 128 ASP N N 118.8 0.3 1 1189 129 129 ASP H H 7.94 0.02 1 1190 129 129 ASP HA H 4.45 0.02 1 1191 129 129 ASP HB2 H 2.57 0.02 1 1192 129 129 ASP HB3 H 2.46 0.02 1 1193 129 129 ASP C C 176.4 0.3 1 1194 129 129 ASP CA C 54.4 0.3 1 1195 129 129 ASP CB C 40.8 0.3 1 1196 129 129 ASP N N 120.7 0.3 1 1197 130 130 SER H H 8.09 0.02 1 1198 130 130 SER HA H 4.26 0.02 1 1199 130 130 SER HB2 H 3.75 0.02 1 1200 130 130 SER HB3 H 3.75 0.02 1 1201 130 130 SER C C 174.7 0.3 1 1202 130 130 SER CA C 58.6 0.3 1 1203 130 130 SER CB C 63.7 0.3 1 1204 130 130 SER N N 115.9 0.3 1 1205 131 131 LYS H H 8.16 0.02 1 1206 131 131 LYS HA H 4.20 0.02 1 1207 131 131 LYS HB2 H 1.72 0.02 1 1208 131 131 LYS HB3 H 1.63 0.02 1 1209 131 131 LYS HG2 H 1.27 0.02 1 1210 131 131 LYS HG3 H 1.27 0.02 1 1211 131 131 LYS HD2 H 1.52 0.02 1 1212 131 131 LYS HD3 H 1.52 0.02 1 1213 131 131 LYS HE2 H 2.51 0.02 1 1214 131 131 LYS HE3 H 2.51 0.02 1 1215 131 131 LYS C C 176.6 0.3 1 1216 131 131 LYS CA C 56.2 0.3 1 1217 131 131 LYS CB C 32.8 0.3 1 1218 131 131 LYS CG C 24.6 0.3 1 1219 131 131 LYS CD C 29.0 0.3 1 1220 131 131 LYS CE C 42.0 0.3 1 1221 131 131 LYS N N 123.0 0.3 1 1222 132 132 GLU H H 8.28 0.02 1 1223 132 132 GLU HA H 4.10 0.02 1 1224 132 132 GLU HB2 H 1.89 0.02 1 1225 132 132 GLU HB3 H 1.80 0.02 1 1226 132 132 GLU HG2 H 2.11 0.02 1 1227 132 132 GLU HG3 H 2.11 0.02 1 1228 132 132 GLU C C 176.4 0.3 1 1229 132 132 GLU CA C 56.6 0.3 1 1230 132 132 GLU CB C 30.1 0.3 1 1231 132 132 GLU CG C 36.2 0.3 1 1232 132 132 GLU N N 121.6 0.3 1 1233 133 133 ASP H H 8.24 0.02 1 1234 133 133 ASP HA H 4.42 0.02 1 1235 133 133 ASP HB2 H 2.56 0.02 1 1236 133 133 ASP HB3 H 2.46 0.02 1 1237 133 133 ASP C C 176.0 0.3 1 1238 133 133 ASP CA C 54.3 0.3 1 1239 133 133 ASP CB C 41.0 0.3 1 1240 133 133 ASP N N 121.4 0.3 1 1241 134 134 ALA H H 8.06 0.02 1 1242 134 134 ALA HA H 4.16 0.02 1 1243 134 134 ALA HB H 1.25 0.02 1 1244 134 134 ALA C C 177.6 0.3 1 1245 134 134 ALA CA C 52.5 0.3 1 1246 134 134 ALA CB C 19.1 0.3 1 1247 134 134 ALA N N 124.1 0.3 1 1248 135 135 LEU H H 8.05 0.02 1 1249 135 135 LEU HA H 4.15 0.02 1 1250 135 135 LEU HB2 H 1.51 0.02 1 1251 135 135 LEU HB3 H 1.43 0.02 1 1252 135 135 LEU HG H 1.48 0.02 1 1253 135 135 LEU HD1 H 0.79 0.02 1 1254 135 135 LEU HD2 H 0.73 0.02 1 1255 135 135 LEU C C 177.4 0.3 1 1256 135 135 LEU CA C 55.2 0.3 1 1257 135 135 LEU CB C 42.2 0.3 1 1258 135 135 LEU CG C 26.9 0.3 1 1259 135 135 LEU CD1 C 24.9 0.3 1 1260 135 135 LEU CD2 C 23.4 0.3 1 1261 135 135 LEU N N 120.8 0.3 1 1262 136 136 GLU H H 8.15 0.02 1 1263 136 136 GLU HA H 4.11 0.02 1 1264 136 136 GLU HB2 H 1.85 0.02 1 1265 136 136 GLU HB3 H 1.79 0.02 1 1266 136 136 GLU HG2 H 2.11 0.02 1 1267 136 136 GLU HG3 H 2.11 0.02 1 1268 136 136 GLU C C 176.2 0.3 1 1269 136 136 GLU CA C 56.6 0.3 1 1270 136 136 GLU CB C 30.0 0.3 1 1271 136 136 GLU CG C 36.1 0.3 1 1272 136 136 GLU N N 121.6 0.3 1 1273 137 137 VAL H H 7.96 0.02 1 1274 137 137 VAL HA H 3.88 0.02 1 1275 137 137 VAL HB H 1.85 0.02 1 1276 137 137 VAL HG1 H 0.76 0.02 1 1277 137 137 VAL HG2 H 0.67 0.02 1 1278 137 137 VAL C C 175.7 0.3 1 1279 137 137 VAL CA C 62.2 0.3 1 1280 137 137 VAL CB C 32.5 0.3 1 1281 137 137 VAL CG1 C 20.6 0.3 1 1282 137 137 VAL CG2 C 21.1 0.3 1 1283 137 137 VAL N N 121.4 0.3 1 1284 138 138 LEU H H 8.05 0.02 1 1285 138 138 LEU HA H 4.16 0.02 1 1286 138 138 LEU HB2 H 1.39 0.02 1 1287 138 138 LEU HB3 H 1.23 0.02 1 1288 138 138 LEU HG H 1.36 0.02 1 1289 138 138 LEU HD1 H 0.73 0.02 1 1290 138 138 LEU HD2 H 0.66 0.02 1 1291 138 138 LEU C C 176.7 0.3 1 1292 138 138 LEU CA C 54.9 0.3 1 1293 138 138 LEU CB C 42.5 0.3 1 1294 138 138 LEU CG C 26.8 0.3 1 1295 138 138 LEU CD1 C 24.7 0.3 1 1296 138 138 LEU CD2 C 23.3 0.3 1 1297 138 138 LEU N N 125.3 0.3 1 1298 139 139 PHE H H 8.05 0.02 1 1299 139 139 PHE HA H 4.50 0.02 1 1300 139 139 PHE HB2 H 3.06 0.02 1 1301 139 139 PHE HB3 H 2.85 0.02 1 1302 139 139 PHE C C 174.6 0.3 1 1303 139 139 PHE CA C 57.5 0.3 1 1304 139 139 PHE CB C 39.4 0.3 1 1305 139 139 PHE N N 120.7 0.3 1 1306 140 140 GLN H H 7.69 0.02 1 1307 140 140 GLN HA H 4.00 0.02 1 1308 140 140 GLN HB2 H 1.94 0.02 1 1309 140 140 GLN HB3 H 1.76 0.02 1 1310 140 140 GLN HG2 H 2.10 0.02 1 1311 140 140 GLN HG3 H 2.10 0.02 1 1312 140 140 GLN HE21 H 7.41 0.02 1 1313 140 140 GLN HE22 H 6.70 0.02 1 1314 140 140 GLN C C 180.1 0.3 1 1315 140 140 GLN CA C 57.2 0.3 1 1316 140 140 GLN CB C 30.5 0.3 1 1317 140 140 GLN CG C 34.1 0.3 1 1318 140 140 GLN N N 126.1 0.3 1 1319 140 140 GLN NE2 N 112.2 0.3 1 stop_ save_