data_6799 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignments for Methanococcus Maripaludis Protein Mmp0443: The Northeast Structural Genomics Consortium Target Mrr16 ; _BMRB_accession_number 6799 _BMRB_flat_file_name bmr6799.str _Entry_type original _Submission_date 2005-08-30 _Accession_date 2005-08-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Resonance Assignments for Methanococcus Maripaludis Protein Mmp0443: The Northeast Structural Genomics Consortium Target Mrr16 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Chih-Sheng . . 2 Acton Tom . . 3 Shen Yang . . 4 Ma Li-Chung . . 5 Liu Gaohua . . 6 Xiao Rong . . 7 Montelione Gaetano . . 8 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 600 "13C chemical shifts" 437 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-09-05 original author . stop_ _Original_release_date 2006-09-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance Assignments for Methanococcus Maripaludis Protein Mmp0443: The Northeast Structural Genomics Consortium Target Mrr16 ; _Citation_status 'in preparation' _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 Yang Chih-Sheng . . 2 Shen Yang . . 3 Liu Gaohua . . 4 Acton Tom . . 5 Ma Li-Chung . . 6 Xiao Rong . . 7 Montelione Gaetano . . 8 Szyperski Thomas . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MrR16 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MrR16 $MrR16 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MrR16 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MrR16 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; MDISIISDRNNPLLQRREIK FTVSFDAATPSIKDVKMKLV AVLNANKQVLVVDTLDQIFG KLEAEGYAKIYNDEKAMATI ETKSVLEKNKIEEEAEAEVA EE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ILE 4 SER 5 ILE 6 ILE 7 SER 8 ASP 9 ARG 10 ASN 11 ASN 12 PRO 13 LEU 14 LEU 15 GLN 16 ARG 17 ARG 18 GLU 19 ILE 20 LYS 21 PHE 22 THR 23 VAL 24 SER 25 PHE 26 ASP 27 ALA 28 ALA 29 THR 30 PRO 31 SER 32 ILE 33 LYS 34 ASP 35 VAL 36 LYS 37 MET 38 LYS 39 LEU 40 VAL 41 ALA 42 VAL 43 LEU 44 ASN 45 ALA 46 ASN 47 LYS 48 GLN 49 VAL 50 LEU 51 VAL 52 VAL 53 ASP 54 THR 55 LEU 56 ASP 57 GLN 58 ILE 59 PHE 60 GLY 61 LYS 62 LEU 63 GLU 64 ALA 65 GLU 66 GLY 67 TYR 68 ALA 69 LYS 70 ILE 71 TYR 72 ASN 73 ASP 74 GLU 75 LYS 76 ALA 77 MET 78 ALA 79 THR 80 ILE 81 GLU 82 THR 83 LYS 84 SER 85 VAL 86 LEU 87 GLU 88 LYS 89 ASN 90 LYS 91 ILE 92 GLU 93 GLU 94 GLU 95 ALA 96 GLU 97 ALA 98 GLU 99 VAL 100 ALA 101 GLU 102 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YWX "Solution Structure Of Methanococcus Maripaludis Protein Mmp0443: The Northeast Structural Genomics Consortium Target Mrr16" 100.00 102 100.00 100.00 3.41e-64 DBJ BAP60581 "30S ribosomal protein S24e [Methanococcus maripaludis KA1]" 100.00 102 100.00 100.00 3.41e-64 DBJ BAP62545 "30S ribosomal protein S24e [Methanococcus maripaludis OS7]" 100.00 102 100.00 100.00 3.41e-64 EMBL CAF29999 "SSU ribosomal protein S24E [Methanococcus maripaludis S2]" 100.00 102 100.00 100.00 3.41e-64 GB AEK19341 "30S ribosomal protein S24e [Methanococcus maripaludis X1]" 100.00 102 100.00 100.00 3.41e-64 REF NP_987563 "30S ribosomal protein S24e [Methanococcus maripaludis S2]" 100.00 102 100.00 100.00 3.41e-64 REF WP_011170387 "30S ribosomal protein S24 [Methanococcus maripaludis]" 100.00 102 100.00 100.00 3.41e-64 REF YP_004742084 "30S ribosomal protein S24e [Methanococcus maripaludis X1]" 100.00 102 100.00 100.00 3.41e-64 SP P61193 "RecName: Full=30S ribosomal protein S24e [Methanococcus maripaludis S2]" 100.00 102 100.00 100.00 3.41e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MrR16 'Methanococcus Maripaludis' 39152 Eukaryota 'Not applicable' Methanococcus Maripaludis 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 $MrR16 'chemical synthesis' . . . . . 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 $MrR16 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_GFT_(4,3)D_HNNCABCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCABCA' _Sample_label . save_ save_GFT_(4,3)D_CABCA(CO)NHN_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CABCA(CO)NHN' _Sample_label . save_ save_GFT_(4,3)D_HABCAB(CO)NHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HABCAB(CO)NHN' _Sample_label . save_ save_GFT_(4,3)D_HCCH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HCCH' _Sample_label . save_ save_simultaneous_3D_hetronuclear-resolved_[1H,1H]_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'simultaneous 3D hetronuclear-resolved [1H,1H] NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH pressure 1 0 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name MrR16 _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 1 1 MET HA H 4.53 0.01 1 2 1 1 MET HB2 H 2.33 0.01 2 3 1 1 MET HB3 H 2.22 0.01 2 4 1 1 MET HG2 H 2.35 0.01 2 5 1 1 MET HG3 H 2.48 0.01 2 6 1 1 MET C C 171.3 0.1 1 7 1 1 MET CA C 55.0 0.1 1 8 1 1 MET CB C 33.7 0.1 1 9 1 1 MET CG C 30.5 0.1 1 10 2 2 ASP H H 8.68 0.01 1 11 2 2 ASP HA H 5.14 0.01 1 12 2 2 ASP HB2 H 2.68 0.01 2 13 2 2 ASP HB3 H 2.51 0.01 2 14 2 2 ASP C C 174.7 0.1 1 15 2 2 ASP CA C 53.1 0.1 1 16 2 2 ASP CB C 43.6 0.1 1 17 2 2 ASP N N 122.5 0.1 1 18 3 3 ILE H H 8.96 0.01 1 19 3 3 ILE HA H 5.19 0.01 1 20 3 3 ILE HB H 1.71 0.01 1 21 3 3 ILE HG12 H 1.43 0.01 2 22 3 3 ILE HG13 H 1.20 0.01 2 23 3 3 ILE HG2 H 0.74 0.01 1 24 3 3 ILE HD1 H 0.60 0.01 1 25 3 3 ILE C C 175.2 0.1 1 26 3 3 ILE CA C 58.8 0.1 1 27 3 3 ILE CB C 40.4 0.1 1 28 3 3 ILE CG1 C 28.3 0.1 1 29 3 3 ILE CG2 C 17.3 0.1 1 30 3 3 ILE CD1 C 12.7 0.1 1 31 3 3 ILE N N 122.4 0.1 1 32 4 4 SER H H 8.85 0.01 1 33 4 4 SER HA H 4.78 0.01 1 34 4 4 SER HB2 H 3.75 0.01 2 35 4 4 SER HB3 H 3.76 0.01 2 36 4 4 SER C C 173.4 0.1 1 37 4 4 SER CA C 56.8 0.1 1 38 4 4 SER CB C 64.2 0.1 1 39 4 4 SER N N 122.1 0.1 1 40 5 5 ILE H H 9.12 0.01 1 41 5 5 ILE HA H 4.14 0.01 1 42 5 5 ILE HB H 2.11 0.01 1 43 5 5 ILE HG12 H 1.44 0.01 2 44 5 5 ILE HG13 H 1.38 0.01 2 45 5 5 ILE HG2 H 0.90 0.01 1 46 5 5 ILE HD1 H 0.58 0.01 1 47 5 5 ILE C C 176.2 0.1 1 48 5 5 ILE CA C 60.3 0.1 1 49 5 5 ILE CB C 36.0 0.1 1 50 5 5 ILE CG1 C 26.6 0.1 1 51 5 5 ILE CG2 C 17.2 0.1 1 52 5 5 ILE CD1 C 10.4 0.1 1 53 5 5 ILE N N 126.5 0.1 1 54 6 6 ILE H H 9.13 0.01 1 55 6 6 ILE HA H 4.12 0.01 1 56 6 6 ILE HB H 1.64 0.01 1 57 6 6 ILE HG12 H 1.47 0.01 1 58 6 6 ILE HG13 H 1.17 0.01 1 59 6 6 ILE HG2 H 0.90 0.01 1 60 6 6 ILE HD1 H 0.76 0.01 1 61 6 6 ILE C C 176.4 0.1 1 62 6 6 ILE CA C 61.8 0.1 1 63 6 6 ILE CB C 38.4 0.1 1 64 6 6 ILE CG1 C 27.5 0.1 1 65 6 6 ILE CG2 C 17.3 0.1 1 66 6 6 ILE CD1 C 12.1 0.1 1 67 6 6 ILE N N 129.3 0.1 1 68 7 7 SER H H 7.93 0.01 1 69 7 7 SER HA H 4.60 0.01 1 70 7 7 SER HB2 H 3.78 0.01 2 71 7 7 SER HB3 H 3.79 0.01 2 72 7 7 SER C C 172.0 0.1 1 73 7 7 SER CA C 57.3 0.1 1 74 7 7 SER CB C 64.5 0.1 1 75 7 7 SER N N 111.7 0.1 1 76 8 8 ASP H H 8.34 0.01 1 77 8 8 ASP HA H 5.06 0.01 1 78 8 8 ASP HB2 H 2.36 0.01 1 79 8 8 ASP HB3 H 2.35 0.01 1 80 8 8 ASP C C 174.8 0.1 1 81 8 8 ASP CA C 53.2 0.1 1 82 8 8 ASP CB C 41.7 0.1 1 83 8 8 ASP N N 124.2 0.1 1 84 9 9 ARG H H 8.67 0.01 1 85 9 9 ARG HA H 4.79 0.01 1 86 9 9 ARG HB2 H 1.88 0.01 1 87 9 9 ARG HB3 H 1.80 0.01 1 88 9 9 ARG HG2 H 1.65 0.01 1 89 9 9 ARG HG3 H 1.65 0.01 1 90 9 9 ARG HD2 H 3.24 0.01 1 91 9 9 ARG HD3 H 3.24 0.01 1 92 9 9 ARG C C 175.0 0.1 1 93 9 9 ARG CA C 53.6 0.1 1 94 9 9 ARG CB C 33.8 0.1 1 95 9 9 ARG CG C 27.0 0.1 1 96 9 9 ARG CD C 43.4 0.1 1 97 9 9 ARG N N 123.0 0.1 1 98 10 10 ASN H H 9.04 0.01 1 99 10 10 ASN HA H 4.78 0.01 1 100 10 10 ASN HB2 H 2.72 0.01 2 101 10 10 ASN HB3 H 2.73 0.01 2 102 10 10 ASN HD21 H 7.62 0.01 1 103 10 10 ASN HD22 H 6.85 0.01 1 104 10 10 ASN C C 174.5 0.1 1 105 10 10 ASN CA C 53.5 0.1 1 106 10 10 ASN CB C 39.4 0.1 1 107 10 10 ASN N N 122.9 0.1 1 108 10 10 ASN ND2 N 112.3 0.1 1 109 11 11 ASN H H 9.09 0.01 1 110 11 11 ASN HA H 5.15 0.01 1 111 11 11 ASN HB2 H 3.17 0.01 2 112 11 11 ASN HB3 H 2.37 0.01 2 113 11 11 ASN HD21 H 7.66 0.01 2 114 11 11 ASN HD22 H 6.91 0.01 2 115 11 11 ASN CA C 49.1 0.1 1 116 11 11 ASN CB C 38.2 0.1 1 117 11 11 ASN N N 123.0 0.1 1 118 11 11 ASN ND2 N 111.7 0.1 1 119 12 12 PRO HA H 4.32 0.01 1 120 12 12 PRO HB2 H 2.31 0.01 1 121 12 12 PRO HB3 H 1.97 0.01 1 122 12 12 PRO HG2 H 2.02 0.01 2 123 12 12 PRO HG3 H 2.03 0.01 2 124 12 12 PRO HD2 H 3.59 0.01 1 125 12 12 PRO HD3 H 3.95 0.01 1 126 12 12 PRO C C 178.9 0.1 1 127 12 12 PRO CA C 63.9 0.1 1 128 12 12 PRO CB C 31.9 0.1 1 129 12 12 PRO CG C 27.0 0.1 1 130 12 12 PRO CD C 50.6 0.1 1 131 13 13 LEU H H 7.54 0.01 1 132 13 13 LEU HA H 4.06 0.01 1 133 13 13 LEU HB2 H 1.75 0.01 1 134 13 13 LEU HB3 H 1.58 0.01 1 135 13 13 LEU HG H 1.61 0.01 1 136 13 13 LEU HD1 H 0.87 0.01 1 137 13 13 LEU HD2 H 0.94 0.01 1 138 13 13 LEU C C 177.8 0.1 1 139 13 13 LEU CA C 56.9 0.1 1 140 13 13 LEU CB C 41.3 0.1 1 141 13 13 LEU CG C 27.0 0.1 1 142 13 13 LEU CD1 C 23.4 0.1 1 143 13 13 LEU CD2 C 24.3 0.1 1 144 13 13 LEU N N 117.9 0.1 1 145 14 14 LEU H H 6.59 0.01 1 146 14 14 LEU HA H 4.47 0.01 1 147 14 14 LEU HB2 H 1.78 0.01 2 148 14 14 LEU HB3 H 1.14 0.01 2 149 14 14 LEU HG H 1.46 0.01 1 150 14 14 LEU HD1 H 0.84 0.01 2 151 14 14 LEU HD2 H 0.86 0.01 2 152 14 14 LEU C C 173.8 0.1 1 153 14 14 LEU CA C 52.9 0.1 1 154 14 14 LEU CB C 41.0 0.1 1 155 14 14 LEU CG C 26.8 0.1 1 156 14 14 LEU CD1 C 22.1 0.1 2 157 14 14 LEU CD2 C 25.3 0.1 2 158 14 14 LEU N N 114.8 0.1 1 159 15 15 GLN H H 7.29 0.01 1 160 15 15 GLN HA H 4.07 0.01 1 161 15 15 GLN HB2 H 3.49 0.01 2 162 15 15 GLN HB3 H 3.27 0.01 2 163 15 15 GLN HG2 H 3.27 0.01 2 164 15 15 GLN HG3 H 3.49 0.01 2 165 15 15 GLN HE21 H 7.03 0.01 2 166 15 15 GLN HE22 H 7.01 0.01 2 167 15 15 GLN C C 173.6 0.1 1 168 15 15 GLN CA C 55.7 0.1 1 169 15 15 GLN CB C 26.5 0.1 1 170 15 15 GLN CG C 26.6 0.1 1 171 15 15 GLN N N 111.0 0.1 1 172 15 15 GLN NE2 N 111.2 0.1 1 173 16 16 ARG H H 7.60 0.01 1 174 16 16 ARG HA H 5.08 0.01 1 175 16 16 ARG HB2 H 1.05 0.01 2 176 16 16 ARG HB3 H 0.68 0.01 2 177 16 16 ARG HG2 H 1.30 0.01 2 178 16 16 ARG HG3 H 1.03 0.01 2 179 16 16 ARG HD2 H 2.91 0.01 1 180 16 16 ARG HD3 H 2.91 0.01 1 181 16 16 ARG C C 173.1 0.1 1 182 16 16 ARG CA C 53.6 0.1 1 183 16 16 ARG CB C 31.9 0.1 1 184 16 16 ARG CG C 25.2 0.1 1 185 16 16 ARG CD C 44.4 0.1 1 186 16 16 ARG N N 109.9 0.1 1 187 17 17 ARG H H 8.48 0.01 1 188 17 17 ARG HA H 4.94 0.01 1 189 17 17 ARG HB2 H 1.87 0.01 2 190 17 17 ARG HB3 H 1.45 0.01 2 191 17 17 ARG HG2 H 1.50 0.01 2 192 17 17 ARG HG3 H 1.73 0.01 2 193 17 17 ARG HD2 H 3.19 0.01 2 194 17 17 ARG HD3 H 2.88 0.01 2 195 17 17 ARG C C 176.0 0.1 1 196 17 17 ARG CA C 54.2 0.1 1 197 17 17 ARG CB C 33.7 0.1 1 198 17 17 ARG CG C 25.2 0.1 1 199 17 17 ARG CD C 44.9 0.1 1 200 17 17 ARG N N 120.5 0.1 1 201 18 18 GLU H H 9.27 0.01 1 202 18 18 GLU HA H 4.70 0.01 1 203 18 18 GLU HB2 H 2.14 0.01 2 204 18 18 GLU HB3 H 2.16 0.01 2 205 18 18 GLU HG2 H 2.21 0.01 2 206 18 18 GLU HG3 H 2.32 0.01 2 207 18 18 GLU C C 175.9 0.1 1 208 18 18 GLU CA C 55.3 0.1 1 209 18 18 GLU CB C 30.6 0.1 1 210 18 18 GLU CG C 36.5 0.1 1 211 18 18 GLU N N 123.1 0.1 1 212 19 19 ILE H H 9.55 0.01 1 213 19 19 ILE HA H 5.33 0.01 1 214 19 19 ILE HB H 1.81 0.01 1 215 19 19 ILE HG12 H 1.28 0.01 2 216 19 19 ILE HG13 H 1.16 0.01 2 217 19 19 ILE HG2 H 1.01 0.01 1 218 19 19 ILE HD1 H 0.64 0.01 1 219 19 19 ILE C C 175.4 0.1 1 220 19 19 ILE CA C 59.1 0.1 1 221 19 19 ILE CB C 41.2 0.1 1 222 19 19 ILE CG1 C 27.4 0.1 1 223 19 19 ILE CG2 C 18.5 0.1 1 224 19 19 ILE CD1 C 13.8 0.1 1 225 19 19 ILE N N 126.9 0.1 1 226 20 20 LYS H H 8.85 0.01 1 227 20 20 LYS HA H 5.45 0.01 1 228 20 20 LYS HB2 H 1.89 0.01 2 229 20 20 LYS HB3 H 1.88 0.01 2 230 20 20 LYS HG2 H 1.48 0.01 2 231 20 20 LYS HG3 H 1.34 0.01 2 232 20 20 LYS HD2 H 1.48 0.01 2 233 20 20 LYS HD3 H 1.35 0.01 2 234 20 20 LYS C C 176.2 0.1 1 235 20 20 LYS CA C 54.4 0.1 1 236 20 20 LYS CB C 33.7 0.1 1 237 20 20 LYS CG C 24.9 0.1 1 238 20 20 LYS CD C 25.2 0.1 1 239 20 20 LYS N N 127.7 0.1 1 240 21 21 PHE H H 8.52 0.01 1 241 21 21 PHE HA H 5.70 0.01 1 242 21 21 PHE HB2 H 3.21 0.01 1 243 21 21 PHE HB3 H 2.82 0.01 1 244 21 21 PHE HD1 H 6.92 0.01 1 245 21 21 PHE HD2 H 6.92 0.01 1 246 21 21 PHE HE1 H 6.97 0.01 1 247 21 21 PHE HE2 H 6.97 0.01 1 248 21 21 PHE HZ H 6.95 0.01 1 249 21 21 PHE C C 172.5 0.1 1 250 21 21 PHE CA C 55.5 0.1 1 251 21 21 PHE CB C 42.6 0.1 1 252 21 21 PHE CD1 C 132.6 0.1 1 253 21 21 PHE CE1 C 130.1 0.1 1 254 21 21 PHE CZ C 128.9 0.1 1 255 21 21 PHE N N 121.0 0.1 1 256 22 22 THR H H 9.44 0.01 1 257 22 22 THR HA H 5.31 0.01 1 258 22 22 THR HB H 4.17 0.01 1 259 22 22 THR HG2 H 1.16 0.01 1 260 22 22 THR CA C 60.1 0.1 1 261 22 22 THR CB C 71.0 0.1 1 262 22 22 THR CG2 C 21.6 0.1 1 263 22 22 THR N N 113.2 0.1 1 264 23 23 VAL H H 9.27 0.01 1 265 23 23 VAL HA H 5.45 0.01 1 266 23 23 VAL HB H 2.11 0.01 1 267 23 23 VAL HG1 H 1.15 0.01 1 268 23 23 VAL HG2 H 1.15 0.01 1 269 23 23 VAL C C 173.7 0.1 1 270 23 23 VAL CA C 58.7 0.1 1 271 23 23 VAL CB C 35.4 0.1 1 272 23 23 VAL CG1 C 22.5 0.1 1 273 23 23 VAL CG2 C 22.6 0.1 1 274 23 23 VAL N N 121.0 0.1 1 275 24 24 SER H H 9.03 0.01 1 276 24 24 SER HA H 5.07 0.01 1 277 24 24 SER HB2 H 3.89 0.01 2 278 24 24 SER HB3 H 3.88 0.01 2 279 24 24 SER C C 173.3 0.1 1 280 24 24 SER CA C 56.8 0.1 1 281 24 24 SER CB C 64.5 0.1 1 282 24 24 SER N N 122.1 0.1 1 283 25 25 PHE H H 7.37 0.01 1 284 25 25 PHE HA H 5.13 0.01 1 285 25 25 PHE HB2 H 2.86 0.01 2 286 25 25 PHE HB3 H 3.48 0.01 2 287 25 25 PHE HD1 H 6.81 0.01 1 288 25 25 PHE HD2 H 6.81 0.01 1 289 25 25 PHE HE1 H 7.08 0.01 1 290 25 25 PHE HE2 H 7.08 0.01 1 291 25 25 PHE C C 173.4 0.1 1 292 25 25 PHE CA C 55.2 0.1 1 293 25 25 PHE CB C 39.5 0.1 1 294 25 25 PHE CD1 C 133.0 0.1 1 295 25 25 PHE CE1 C 130.4 0.1 1 296 25 25 PHE N N 119.5 0.1 1 297 26 26 ASP H H 8.27 0.01 1 298 26 26 ASP HA H 4.77 0.01 1 299 26 26 ASP HB2 H 2.67 0.01 2 300 26 26 ASP HB3 H 2.69 0.01 2 301 26 26 ASP C C 176.4 0.1 1 302 26 26 ASP CA C 54.7 0.1 1 303 26 26 ASP CB C 41.9 0.1 1 304 26 26 ASP N N 115.7 0.1 1 305 27 27 ALA H H 8.52 0.01 1 306 27 27 ALA HA H 4.42 0.01 1 307 27 27 ALA HB H 1.44 0.01 1 308 27 27 ALA C C 175.4 0.1 1 309 27 27 ALA CA C 53.4 0.1 1 310 27 27 ALA CB C 19.0 0.1 1 311 27 27 ALA N N 124.2 0.1 1 312 28 28 ALA H H 7.93 0.01 1 313 28 28 ALA HA H 4.40 0.01 1 314 28 28 ALA HB H 1.31 0.01 1 315 28 28 ALA C C 176.6 0.1 1 316 28 28 ALA CA C 51.5 0.1 1 317 28 28 ALA CB C 19.7 0.1 1 318 28 28 ALA N N 122.7 0.1 1 319 29 29 THR H H 8.12 0.01 1 320 29 29 THR HA H 2.95 0.01 1 321 29 29 THR HB H 3.70 0.01 1 322 29 29 THR HG2 H 1.00 0.01 1 323 29 29 THR CA C 60.4 0.1 1 324 29 29 THR CB C 69.0 0.1 1 325 29 29 THR CG2 C 26.533 0.1 1 326 29 29 THR N N 118.5 0.1 1 327 30 30 PRO HA H 4.36 0.01 1 328 30 30 PRO HB2 H 1.73 0.01 2 329 30 30 PRO HB3 H 2.18 0.01 2 330 30 30 PRO HG2 H 1.65 0.01 1 331 30 30 PRO HG3 H 1.58 0.01 1 332 30 30 PRO HD2 H 2.69 0.01 2 333 30 30 PRO HD3 H 2.56 0.01 2 334 30 30 PRO C C 175.0 0.1 1 335 30 30 PRO CA C 61.7 0.1 1 336 30 30 PRO CB C 32.4 0.1 1 337 30 30 PRO CG C 26.9 0.1 1 338 30 30 PRO CD C 50.3 0.1 1 339 31 31 SER H H 8.64 0.01 1 340 31 31 SER HA H 4.38 0.01 1 341 31 31 SER HB2 H 4.30 0.01 2 342 31 31 SER HB3 H 3.99 0.01 2 343 31 31 SER C C 175.0 0.1 1 344 31 31 SER CA C 56.5 0.1 1 345 31 31 SER CB C 65.0 0.1 1 346 31 31 SER N N 115.2 0.1 1 347 32 32 ILE H H 8.61 0.01 1 348 32 32 ILE HA H 3.56 0.01 1 349 32 32 ILE HB H 1.94 0.01 1 350 32 32 ILE HG12 H 1.58 0.01 1 351 32 32 ILE HG13 H 1.34 0.01 1 352 32 32 ILE HG2 H 0.82 0.01 1 353 32 32 ILE HD1 H 0.81 0.01 1 354 32 32 ILE C C 177.6 0.1 1 355 32 32 ILE CA C 64.5 0.1 1 356 32 32 ILE CB C 36.4 0.1 1 357 32 32 ILE CG1 C 29.2 0.1 1 358 32 32 ILE CG2 C 17.0 0.1 1 359 32 32 ILE CD1 C 11.6 0.1 1 360 32 32 ILE N N 121.4 0.1 1 361 33 33 LYS H H 8.18 0.01 1 362 33 33 LYS HA H 3.83 0.01 1 363 33 33 LYS HB2 H 1.83 0.01 2 364 33 33 LYS HB3 H 1.72 0.01 2 365 33 33 LYS HG2 H 1.27 0.01 2 366 33 33 LYS HG3 H 1.54 0.01 2 367 33 33 LYS HD2 H 1.68 0.01 2 368 33 33 LYS HD3 H 1.70 0.01 2 369 33 33 LYS HE2 H 2.95 0.01 2 370 33 33 LYS HE3 H 2.96 0.01 2 371 33 33 LYS C C 178.1 0.1 1 372 33 33 LYS CA C 60.1 0.1 1 373 33 33 LYS CB C 31.9 0.1 1 374 33 33 LYS CG C 25.6 0.1 1 375 33 33 LYS CD C 29.3 0.1 1 376 33 33 LYS CE C 41.8 0.1 1 377 33 33 LYS N N 118.5 0.1 1 378 34 34 ASP H H 7.73 0.01 1 379 34 34 ASP HA H 4.34 0.01 1 380 34 34 ASP HB2 H 2.83 0.01 2 381 34 34 ASP HB3 H 2.48 0.01 2 382 34 34 ASP C C 179.0 0.1 1 383 34 34 ASP CA C 56.9 0.1 1 384 34 34 ASP CB C 39.9 0.1 1 385 34 34 ASP N N 119.0 0.1 1 386 35 35 VAL H H 8.23 0.01 1 387 35 35 VAL HA H 3.51 0.01 1 388 35 35 VAL HB H 2.10 0.01 1 389 35 35 VAL HG1 H 0.89 0.01 2 390 35 35 VAL HG2 H 1.04 0.01 2 391 35 35 VAL C C 177.0 0.1 1 392 35 35 VAL CA C 66.3 0.1 1 393 35 35 VAL CB C 31.4 0.1 1 394 35 35 VAL CG1 C 22.5 0.1 2 395 35 35 VAL CG2 C 23.8 0.1 2 396 35 35 VAL N N 121.0 0.1 1 397 36 36 LYS H H 9.05 0.01 1 398 36 36 LYS HA H 3.54 0.01 1 399 36 36 LYS HB2 H 2.08 0.01 2 400 36 36 LYS HB3 H 1.85 0.01 2 401 36 36 LYS HG2 H 1.07 0.01 2 402 36 36 LYS HG3 H 1.36 0.01 2 403 36 36 LYS HD2 H 1.85 0.01 2 404 36 36 LYS HD3 H 2.09 0.01 2 405 36 36 LYS HE2 H 2.94 0.01 2 406 36 36 LYS HE3 H 2.96 0.01 2 407 36 36 LYS C C 177.6 0.1 1 408 36 36 LYS CA C 60.5 0.1 1 409 36 36 LYS CB C 31.2 0.1 1 410 36 36 LYS CG C 26.0 0.1 1 411 36 36 LYS CD C 31.3 0.1 1 412 36 36 LYS CE C 41.8 0.1 1 413 36 36 LYS N N 120.9 0.1 1 414 37 37 MET H H 7.94 0.01 1 415 37 37 MET HA H 4.32 0.01 1 416 37 37 MET HB2 H 2.16 0.01 1 417 37 37 MET HB3 H 2.08 0.01 1 418 37 37 MET HG2 H 2.85 0.01 2 419 37 37 MET HG3 H 2.69 0.01 2 420 37 37 MET C C 179.5 0.1 1 421 37 37 MET CA C 57.0 0.1 1 422 37 37 MET CB C 30.1 0.1 1 423 37 37 MET CG C 31.9 0.1 1 424 37 37 MET N N 113.8 0.1 1 425 38 38 LYS H H 7.69 0.01 1 426 38 38 LYS HA H 4.31 0.01 1 427 38 38 LYS HB2 H 1.87 0.01 2 428 38 38 LYS HB3 H 2.08 0.01 2 429 38 38 LYS HG2 H 1.01 0.01 2 430 38 38 LYS HG3 H 1.00 0.01 2 431 38 38 LYS HD2 H 2.09 0.01 1 432 38 38 LYS HD3 H 1.85 0.01 1 433 38 38 LYS HE2 H 2.98 0.01 2 434 38 38 LYS HE3 H 2.96 0.01 2 435 38 38 LYS C C 178.1 0.1 1 436 38 38 LYS CA C 57.5 0.1 1 437 38 38 LYS CB C 31.8 0.1 1 438 38 38 LYS CG C 24.3 0.1 1 439 38 38 LYS CD C 32.0 0.1 1 440 38 38 LYS CE C 42.0 0.1 1 441 38 38 LYS N N 122.2 0.1 1 442 39 39 LEU H H 8.48 0.01 1 443 39 39 LEU HA H 3.68 0.01 1 444 39 39 LEU HB2 H 1.69 0.01 1 445 39 39 LEU HB3 H 1.04 0.01 1 446 39 39 LEU HG H 1.22 0.01 1 447 39 39 LEU HD1 H 0.02 0.01 2 448 39 39 LEU HD2 H 0.06 0.01 2 449 39 39 LEU C C 178.6 0.1 1 450 39 39 LEU CA C 57.6 0.1 1 451 39 39 LEU CB C 42.2 0.1 1 452 39 39 LEU CG C 26.1 0.1 1 453 39 39 LEU CD1 C 23.3 0.1 2 454 39 39 LEU CD2 C 26.1 0.1 2 455 39 39 LEU N N 119.5 0.1 1 456 40 40 VAL H H 8.37 0.01 1 457 40 40 VAL HA H 3.25 0.01 1 458 40 40 VAL HB H 2.31 0.01 1 459 40 40 VAL HG1 H 1.00 0.01 2 460 40 40 VAL HG2 H 1.00 0.01 2 461 40 40 VAL C C 177.7 0.1 1 462 40 40 VAL CA C 66.8 0.1 1 463 40 40 VAL CB C 31.5 0.1 1 464 40 40 VAL CG1 C 20.6 0.1 2 465 40 40 VAL CG2 C 21.0 0.1 2 466 40 40 VAL N N 117.9 0.1 1 467 41 41 ALA H H 7.11 0.01 1 468 41 41 ALA HA H 4.27 0.01 1 469 41 41 ALA HB H 1.59 0.01 1 470 41 41 ALA C C 180.7 0.1 1 471 41 41 ALA CA C 54.2 0.1 1 472 41 41 ALA CB C 18.4 0.1 1 473 41 41 ALA N N 119.5 0.1 1 474 42 42 VAL H H 8.41 0.01 1 475 42 42 VAL HA H 3.81 0.01 1 476 42 42 VAL HB H 2.02 0.01 1 477 42 42 VAL HG1 H 0.92 0.01 2 478 42 42 VAL HG2 H 0.92 0.01 2 479 42 42 VAL C C 177.9 0.1 1 480 42 42 VAL CA C 65.2 0.1 1 481 42 42 VAL CB C 32.4 0.1 1 482 42 42 VAL CG1 C 20.9 0.1 1 483 42 42 VAL CG2 C 20.9 0.1 1 484 42 42 VAL N N 116.9 0.1 1 485 43 43 LEU H H 8.21 0.01 1 486 43 43 LEU HA H 4.32 0.01 1 487 43 43 LEU HB2 H 1.55 0.01 1 488 43 43 LEU HB3 H 1.37 0.01 1 489 43 43 LEU HG H 0.61 0.01 1 490 43 43 LEU HD1 H 0.75 0.01 2 491 43 43 LEU HD2 H 0.76 0.01 2 492 43 43 LEU C C 176.7 0.1 1 493 43 43 LEU CA C 53.9 0.1 1 494 43 43 LEU CB C 41.6 0.1 1 495 43 43 LEU CG C 26.8 0.1 1 496 43 43 LEU CD1 C 22.1 0.1 2 497 43 43 LEU CD2 C 22.0 0.1 2 498 43 43 LEU N N 115.5 0.1 1 499 44 44 ASN H H 7.79 0.01 1 500 44 44 ASN HA H 4.42 0.01 1 501 44 44 ASN HB2 H 2.67 0.01 1 502 44 44 ASN HB3 H 3.11 0.01 1 503 44 44 ASN HD21 H 7.49 0.01 1 504 44 44 ASN HD22 H 6.77 0.01 1 505 44 44 ASN C C 174.4 0.1 1 506 44 44 ASN CA C 53.9 0.1 1 507 44 44 ASN CB C 36.8 0.1 1 508 44 44 ASN N N 119.0 0.1 1 509 44 44 ASN ND2 N 111.7 0.1 1 510 45 45 ALA H H 7.69 0.01 1 511 45 45 ALA HA H 4.54 0.01 1 512 45 45 ALA HB H 1.14 0.01 1 513 45 45 ALA C C 175.6 0.1 1 514 45 45 ALA CA C 50.3 0.1 1 515 45 45 ALA CB C 22.0 0.1 1 516 45 45 ALA N N 118.6 0.1 1 517 46 46 ASN H H 8.18 0.01 1 518 46 46 ASN HA H 4.65 0.01 1 519 46 46 ASN HB2 H 2.82 0.01 2 520 46 46 ASN HB3 H 2.81 0.01 2 521 46 46 ASN HD21 H 7.76 0.01 1 522 46 46 ASN HD22 H 7.14 0.01 1 523 46 46 ASN C C 176.3 0.1 1 524 46 46 ASN CA C 52.6 0.1 1 525 46 46 ASN CB C 38.6 0.1 1 526 46 46 ASN N N 118.1 0.1 1 527 46 46 ASN ND2 N 112.3 0.1 1 528 47 47 LYS H H 8.82 0.01 1 529 47 47 LYS HA H 3.87 0.01 1 530 47 47 LYS HB2 H 1.86 0.01 2 531 47 47 LYS HB3 H 1.87 0.01 2 532 47 47 LYS HG2 H 0.99 0.01 2 533 47 47 LYS HG3 H 1.00 0.01 2 534 47 47 LYS HD2 H 1.70 0.01 2 535 47 47 LYS HD3 H 1.71 0.01 2 536 47 47 LYS HE2 H 3.01 0.01 2 537 47 47 LYS HE3 H 3.03 0.01 2 538 47 47 LYS C C 176.5 0.1 1 539 47 47 LYS CA C 58.4 0.1 1 540 47 47 LYS CB C 32.8 0.1 1 541 47 47 LYS CG C 24.3 0.1 1 542 47 47 LYS CD C 29.7 0.1 1 543 47 47 LYS CE C 41.8 0.1 1 544 47 47 LYS N N 123.5 0.1 1 545 48 48 GLN H H 8.30 0.01 1 546 48 48 GLN HA H 4.16 0.01 1 547 48 48 GLN HB2 H 1.99 0.01 1 548 48 48 GLN HB3 H 2.10 0.01 1 549 48 48 GLN HG2 H 2.41 0.01 2 550 48 48 GLN HG3 H 2.51 0.01 2 551 48 48 GLN HE21 H 7.66 0.01 2 552 48 48 GLN HE22 H 6.91 0.01 2 553 48 48 GLN CA C 57.3 0.1 1 554 48 48 GLN CB C 29.4 0.1 1 555 48 48 GLN CG C 34.1 0.1 1 556 48 48 GLN N N 116.3 0.1 1 557 48 48 GLN NE2 N 111.7 0.1 1 558 49 49 VAL HA H 5.02 0.01 1 559 49 49 VAL HB H 2.72 0.01 1 560 49 49 VAL HG1 H 0.62 0.01 2 561 49 49 VAL HG2 H 0.91 0.01 2 562 49 49 VAL C C 177.9 0.1 1 563 49 49 VAL CA C 59.9 0.1 1 564 49 49 VAL CB C 31.8 0.1 1 565 49 49 VAL CG1 C 21.0 0.1 2 566 49 49 VAL CG2 C 19.3 0.1 2 567 50 50 LEU H H 8.38 0.01 1 568 50 50 LEU HA H 5.32 0.01 1 569 50 50 LEU HB2 H 1.45 0.01 2 570 50 50 LEU HB3 H 1.30 0.01 2 571 50 50 LEU HG H 1.45 0.01 1 572 50 50 LEU HD1 H 0.67 0.01 2 573 50 50 LEU HD2 H 0.58 0.01 2 574 50 50 LEU C C 175.6 0.1 1 575 50 50 LEU CA C 54.2 0.1 1 576 50 50 LEU CB C 44.4 0.1 1 577 50 50 LEU CG C 28.3 0.1 1 578 50 50 LEU CD1 C 25.7 0.1 2 579 50 50 LEU CD2 C 27.0 0.1 2 580 50 50 LEU N N 123.7 0.1 1 581 51 51 VAL H H 9.19 0.01 1 582 51 51 VAL HA H 4.45 0.01 1 583 51 51 VAL HB H 1.79 0.01 1 584 51 51 VAL HG1 H 0.79 0.01 1 585 51 51 VAL HG2 H 0.94 0.01 1 586 51 51 VAL C C 174.7 0.1 1 587 51 51 VAL CA C 58.7 0.1 1 588 51 51 VAL CB C 35.1 0.1 1 589 51 51 VAL CG1 C 22.5 0.1 1 590 51 51 VAL CG2 C 19.8 0.1 1 591 51 51 VAL N N 120.0 0.1 1 592 52 52 VAL H H 9.44 0.01 1 593 52 52 VAL HA H 4.10 0.01 1 594 52 52 VAL HB H 2.18 0.01 1 595 52 52 VAL HG1 H 0.79 0.01 2 596 52 52 VAL HG2 H 0.93 0.01 2 597 52 52 VAL C C 174.4 0.1 1 598 52 52 VAL CA C 62.6 0.1 1 599 52 52 VAL CB C 31.4 0.1 1 600 52 52 VAL CG1 C 21.6 0.1 1 601 52 52 VAL CG2 C 21.6 0.1 1 602 52 52 VAL N N 124.6 0.1 1 603 53 53 ASP H H 9.03 0.01 1 604 53 53 ASP HA H 4.57 0.01 1 605 53 53 ASP HB2 H 2.71 0.01 1 606 53 53 ASP HB3 H 2.07 0.01 1 607 53 53 ASP C C 175.2 0.1 1 608 53 53 ASP CA C 55.6 0.1 1 609 53 53 ASP CB C 44.5 0.1 1 610 53 53 ASP N N 128.8 0.1 1 611 54 54 THR H H 7.47 0.01 1 612 54 54 THR HA H 4.58 0.01 1 613 54 54 THR HB H 4.15 0.01 1 614 54 54 THR HG2 H 1.24 0.01 1 615 54 54 THR C C 172.4 0.1 1 616 54 54 THR CA C 60.5 0.1 1 617 54 54 THR CB C 72.1 0.1 1 618 54 54 THR CG2 C 21.6 0.1 1 619 54 54 THR N N 108.2 0.1 1 620 55 55 LEU H H 8.37 0.01 1 621 55 55 LEU HA H 4.68 0.01 1 622 55 55 LEU HB2 H 1.25 0.01 1 623 55 55 LEU HB3 H 1.65 0.01 1 624 55 55 LEU HG H 1.25 0.01 1 625 55 55 LEU HD1 H 0.74 0.01 2 626 55 55 LEU HD2 H 0.73 0.01 2 627 55 55 LEU C C 174.2 0.1 1 628 55 55 LEU CA C 55.0 0.1 1 629 55 55 LEU CB C 44.0 0.1 1 630 55 55 LEU CG C 27.2 0.1 1 631 55 55 LEU CD1 C 24.8 0.1 1 632 55 55 LEU CD2 C 24.8 0.1 1 633 55 55 LEU N N 123.7 0.1 1 634 56 56 ASP H H 8.92 0.01 1 635 56 56 ASP HA H 5.15 0.01 1 636 56 56 ASP HB2 H 2.50 0.01 2 637 56 56 ASP HB3 H 2.65 0.01 2 638 56 56 ASP C C 175.1 0.1 1 639 56 56 ASP CA C 53.2 0.1 1 640 56 56 ASP CB C 43.5 0.1 1 641 56 56 ASP N N 125.6 0.1 1 642 57 57 GLN H H 9.06 0.01 1 643 57 57 GLN HA H 4.35 0.01 1 644 57 57 GLN HB2 H 2.12 0.01 1 645 57 57 GLN HB3 H 2.10 0.01 1 646 57 57 GLN HG2 H 2.59 0.01 2 647 57 57 GLN HG3 H 2.68 0.01 2 648 57 57 GLN HE21 H 7.94 0.01 2 649 57 57 GLN HE22 H 6.88 0.01 2 650 57 57 GLN CA C 56.4 0.1 1 651 57 57 GLN CB C 28.8 0.1 1 652 57 57 GLN CG C 33.3 0.1 1 653 57 57 GLN N N 125.7 0.1 1 654 57 57 GLN NE2 N 111.2 0.1 1 655 58 58 ILE H H 8.70 0.01 1 656 58 58 ILE HA H 4.09 0.01 1 657 58 58 ILE HB H 1.68 0.01 1 658 58 58 ILE HG12 H 1.52 0.01 1 659 58 58 ILE HG13 H 1.17 0.01 1 660 58 58 ILE HG2 H 0.91 0.01 1 661 58 58 ILE HD1 H 0.77 0.01 1 662 58 58 ILE C C 175.6 0.1 1 663 58 58 ILE CA C 60.5 0.1 1 664 58 58 ILE CB C 37.7 0.1 1 665 58 58 ILE CG1 C 27.5 0.1 1 666 58 58 ILE CG2 C 17.2 0.1 1 667 58 58 ILE CD1 C 12.2 0.1 1 668 58 58 ILE N N 129.6 0.1 1 669 59 59 PHE H H 8.65 0.01 1 670 59 59 PHE HA H 4.21 0.01 1 671 59 59 PHE HB2 H 3.22 0.01 2 672 59 59 PHE HB3 H 2.95 0.01 2 673 59 59 PHE HD1 H 7.26 0.01 1 674 59 59 PHE HD2 H 7.26 0.01 1 675 59 59 PHE HE1 H 7.38 0.01 1 676 59 59 PHE HE2 H 7.38 0.01 1 677 59 59 PHE C C 177.1 0.1 1 678 59 59 PHE CA C 60.4 0.1 1 679 59 59 PHE CB C 38.6 0.1 1 680 59 59 PHE CD1 C 131.6 0.1 1 681 59 59 PHE CE1 C 131.4 0.1 1 682 59 59 PHE N N 128.3 0.1 1 683 60 60 GLY H H 8.42 0.01 1 684 60 60 GLY HA2 H 3.34 0.01 2 685 60 60 GLY HA3 H 3.84 0.01 2 686 60 60 GLY C C 173.7 0.1 1 687 60 60 GLY CA C 44.8 0.1 1 688 60 60 GLY N N 114.3 0.1 1 689 61 61 LYS H H 8.08 0.01 1 690 61 61 LYS HA H 4.63 0.01 1 691 61 61 LYS HB2 H 1.69 0.01 1 692 61 61 LYS HB3 H 1.63 0.01 1 693 61 61 LYS HG2 H 1.24 0.01 1 694 61 61 LYS HG3 H 1.35 0.01 1 695 61 61 LYS HD2 H 1.54 0.01 2 696 61 61 LYS HD3 H 1.55 0.01 2 697 61 61 LYS HE2 H 2.89 0.01 2 698 61 61 LYS HE3 H 2.90 0.01 2 699 61 61 LYS C C 176.0 0.1 1 700 61 61 LYS CA C 54.1 0.1 1 701 61 61 LYS CB C 36.4 0.1 1 702 61 61 LYS CG C 24.8 0.1 1 703 61 61 LYS CD C 28.8 0.1 1 704 61 61 LYS CE C 41.7 0.1 1 705 61 61 LYS N N 118.4 0.1 1 706 62 62 LEU H H 8.51 0.01 1 707 62 62 LEU HA H 4.12 0.01 1 708 62 62 LEU HB2 H 1.33 0.01 2 709 62 62 LEU HB3 H 1.32 0.01 2 710 62 62 LEU HG H 1.31 0.01 1 711 62 62 LEU HD1 H 0.85 0.01 1 712 62 62 LEU HD2 H 0.73 0.01 1 713 62 62 LEU C C 175.0 0.1 1 714 62 62 LEU CA C 52.6 0.1 1 715 62 62 LEU CB C 37.6 0.1 1 716 62 62 LEU CG C 37.7 0.1 1 717 62 62 LEU CD1 C 25.6 0.1 1 718 62 62 LEU CD2 C 23.0 0.1 1 719 62 62 LEU N N 126.7 0.1 1 720 63 63 GLU H H 7.09 0.01 1 721 63 63 GLU HA H 5.09 0.01 1 722 63 63 GLU HB2 H 1.81 0.01 2 723 63 63 GLU HB3 H 1.61 0.01 2 724 63 63 GLU HG2 H 1.98 0.01 2 725 63 63 GLU HG3 H 2.08 0.01 2 726 63 63 GLU C C 174.8 0.1 1 727 63 63 GLU CA C 53.7 0.1 1 728 63 63 GLU CB C 35.0 0.1 1 729 63 63 GLU CG C 36.4 0.1 1 730 63 63 GLU N N 115.3 0.1 1 731 64 64 ALA H H 9.16 0.01 1 732 64 64 ALA HA H 5.20 0.01 1 733 64 64 ALA HB H 1.20 0.01 1 734 64 64 ALA C C 174.9 0.1 1 735 64 64 ALA CA C 50.3 0.1 1 736 64 64 ALA CB C 22.2 0.1 1 737 64 64 ALA N N 122.0 0.1 1 738 65 65 GLU H H 8.69 0.01 1 739 65 65 GLU HA H 4.84 0.01 1 740 65 65 GLU HB2 H 1.96 0.01 1 741 65 65 GLU HB3 H 1.94 0.01 1 742 65 65 GLU HG2 H 2.10 0.01 1 743 65 65 GLU HG3 H 2.12 0.01 1 744 65 65 GLU C C 175.5 0.1 1 745 65 65 GLU CA C 54.5 0.1 1 746 65 65 GLU CB C 32.0 0.1 1 747 65 65 GLU CG C 36.0 0.1 1 748 65 65 GLU N N 120.0 0.1 1 749 66 66 GLY H H 8.55 0.01 1 750 66 66 GLY HA2 H 2.57 0.01 2 751 66 66 GLY HA3 H 4.71 0.01 2 752 66 66 GLY C C 171.3 0.1 1 753 66 66 GLY CA C 44.4 0.1 1 754 66 66 GLY N N 111.8 0.1 1 755 67 67 TYR H H 8.09 0.01 1 756 67 67 TYR HA H 5.81 0.01 1 757 67 67 TYR HB2 H 3.02 0.01 2 758 67 67 TYR HB3 H 3.01 0.01 2 759 67 67 TYR HD1 H 7.18 0.01 1 760 67 67 TYR HD2 H 7.18 0.01 1 761 67 67 TYR HE1 H 6.68 0.01 1 762 67 67 TYR HE2 H 6.68 0.01 1 763 67 67 TYR CA C 54.4 0.1 1 764 67 67 TYR CB C 41.3 0.1 1 765 67 67 TYR CD1 C 132.7 0.1 1 766 67 67 TYR CE1 C 117.837 0.1 1 767 67 67 TYR N N 120.5 0.1 1 768 68 68 ALA H H 9.97 0.01 1 769 68 68 ALA HA H 5.40 0.01 1 770 68 68 ALA HB H 1.24 0.01 1 771 68 68 ALA C C 174.2 0.1 1 772 68 68 ALA CA C 49.3 0.1 1 773 68 68 ALA CB C 23.6 0.1 1 774 68 68 ALA N N 129.3 0.1 1 775 69 69 LYS H H 9.02 0.01 1 776 69 69 LYS HA H 5.30 0.01 1 777 69 69 LYS HB2 H 1.25 0.01 2 778 69 69 LYS HB3 H 1.27 0.01 2 779 69 69 LYS HG2 H 1.47 0.01 2 780 69 69 LYS HG3 H 0.78 0.01 2 781 69 69 LYS HD2 H 0.67 0.01 2 782 69 69 LYS HD3 H 0.66 0.01 2 783 69 69 LYS HE2 H 3.05 0.01 2 784 69 69 LYS HE3 H 2.95 0.01 2 785 69 69 LYS C C 174.9 0.1 1 786 69 69 LYS CA C 53.7 0.1 1 787 69 69 LYS CB C 37.8 0.1 1 788 69 69 LYS CG C 24.8 0.1 1 789 69 69 LYS CD C 25.7 0.1 1 790 69 69 LYS CE C 43.5 0.1 1 791 69 69 LYS N N 118.1 0.1 1 792 70 70 ILE H H 8.37 0.01 1 793 70 70 ILE HA H 4.93 0.01 1 794 70 70 ILE HB H 1.50 0.01 1 795 70 70 ILE HG12 H 1.31 0.01 2 796 70 70 ILE HG13 H 1.33 0.01 2 797 70 70 ILE HG2 H 0.84 0.01 1 798 70 70 ILE HD1 H 0.68 0.01 1 799 70 70 ILE C C 177.2 0.1 1 800 70 70 ILE CA C 59.7 0.1 1 801 70 70 ILE CB C 40.4 0.1 1 802 70 70 ILE CG1 C 27.9 0.1 1 803 70 70 ILE CG2 C 18.4 0.1 1 804 70 70 ILE CD1 C 14.4 0.1 1 805 70 70 ILE N N 118.6 0.1 1 806 71 71 TYR H H 9.30 0.01 1 807 71 71 TYR HA H 4.67 0.01 1 808 71 71 TYR HB2 H 3.28 0.01 2 809 71 71 TYR HB3 H 2.93 0.01 2 810 71 71 TYR C C 175.8 0.1 1 811 71 71 TYR CA C 59.5 0.1 1 812 71 71 TYR CB C 41.5 0.1 1 813 71 71 TYR N N 128.7 0.1 1 814 72 72 ASN H H 8.97 0.01 1 815 72 72 ASN HA H 4.49 0.01 1 816 72 72 ASN HB2 H 2.81 0.01 2 817 72 72 ASN HB3 H 2.95 0.01 2 818 72 72 ASN HD21 H 7.78 0.01 2 819 72 72 ASN HD22 H 7.02 0.01 2 820 72 72 ASN C C 178.3 0.1 1 821 72 72 ASN CA C 54.6 0.1 1 822 72 72 ASN CB C 38.7 0.1 1 823 72 72 ASN N N 116.4 0.1 1 824 72 72 ASN ND2 N 111.2 0.1 1 825 73 73 ASP H H 7.50 0.01 1 826 73 73 ASP HA H 4.63 0.01 1 827 73 73 ASP HB2 H 2.91 0.01 2 828 73 73 ASP HB3 H 2.88 0.01 2 829 73 73 ASP C C 175.3 0.1 1 830 73 73 ASP CA C 53.0 0.1 1 831 73 73 ASP CB C 42.9 0.1 1 832 73 73 ASP N N 110.9 0.1 1 833 74 74 GLU H H 9.25 0.01 1 834 74 74 GLU HA H 3.85 0.01 1 835 74 74 GLU HB2 H 2.03 0.01 2 836 74 74 GLU HB3 H 1.96 0.01 2 837 74 74 GLU HG2 H 2.21 0.01 2 838 74 74 GLU HG3 H 2.20 0.01 2 839 74 74 GLU C C 177.9 0.1 1 840 74 74 GLU CA C 59.5 0.1 1 841 74 74 GLU CB C 29.7 0.1 1 842 74 74 GLU CG C 36.8 0.1 1 843 74 74 GLU N N 120.8 0.1 1 844 75 75 LYS H H 8.26 0.01 1 845 75 75 LYS HA H 4.05 0.01 1 846 75 75 LYS HB2 H 1.83 0.01 2 847 75 75 LYS HB3 H 1.85 0.01 2 848 75 75 LYS HG2 H 1.35 0.01 2 849 75 75 LYS HG3 H 1.43 0.01 2 850 75 75 LYS HD2 H 1.63 0.01 2 851 75 75 LYS HD3 H 1.66 0.01 2 852 75 75 LYS HE2 H 2.94 0.01 2 853 75 75 LYS HE3 H 2.93 0.01 2 854 75 75 LYS C C 179.4 0.1 1 855 75 75 LYS CA C 58.7 0.1 1 856 75 75 LYS CB C 31.1 0.1 1 857 75 75 LYS CG C 24.8 0.1 1 858 75 75 LYS CD C 28.8 0.1 1 859 75 75 LYS CE C 41.8 0.1 1 860 75 75 LYS N N 122.3 0.1 1 861 76 76 ALA H H 8.53 0.01 1 862 76 76 ALA HA H 4.03 0.01 1 863 76 76 ALA HB H 1.59 0.01 1 864 76 76 ALA C C 179.1 0.1 1 865 76 76 ALA CA C 54.7 0.1 1 866 76 76 ALA CB C 18.5 0.1 1 867 76 76 ALA N N 124.1 0.1 1 868 77 77 MET H H 7.05 0.01 1 869 77 77 MET HA H 2.26 0.01 1 870 77 77 MET HB2 H 2.09 0.01 1 871 77 77 MET HB3 H 1.35 0.01 1 872 77 77 MET HG2 H 1.77 0.01 1 873 77 77 MET HG3 H 1.67 0.01 1 874 77 77 MET C C 176.6 0.1 1 875 77 77 MET CA C 58.6 0.1 1 876 77 77 MET CB C 34.0 0.1 1 877 77 77 MET CG C 31.0 0.1 1 878 77 77 MET N N 115.9 0.1 1 879 78 78 ALA H H 7.65 0.01 1 880 78 78 ALA HA H 3.94 0.01 1 881 78 78 ALA HB H 1.42 0.01 1 882 78 78 ALA C C 178.9 0.1 1 883 78 78 ALA CA C 53.7 0.1 1 884 78 78 ALA CB C 18.2 0.1 1 885 78 78 ALA N N 116.9 0.1 1 886 79 79 THR H H 7.59 0.01 1 887 79 79 THR HA H 4.14 0.01 1 888 79 79 THR HB H 4.26 0.01 1 889 79 79 THR HG2 H 1.24 0.01 1 890 79 79 THR C C 175.3 0.1 1 891 79 79 THR CA C 64.0 0.1 1 892 79 79 THR CB C 69.6 0.1 1 893 79 79 THR CG2 C 21.0 0.1 1 894 79 79 THR N N 110.3 0.1 1 895 80 80 ILE H H 7.61 0.01 1 896 80 80 ILE HA H 4.00 0.01 1 897 80 80 ILE HB H 1.80 0.01 1 898 80 80 ILE HG12 H 1.71 0.01 1 899 80 80 ILE HG13 H 1.25 0.01 1 900 80 80 ILE HG2 H 1.05 0.01 1 901 80 80 ILE HD1 H 1.01 0.01 1 902 80 80 ILE C C 177.2 0.1 1 903 80 80 ILE CA C 62.6 0.1 1 904 80 80 ILE CB C 39.6 0.1 1 905 80 80 ILE CG1 C 28.8 0.1 1 906 80 80 ILE CG2 C 18.9 0.1 1 907 80 80 ILE CD1 C 13.4 0.1 1 908 80 80 ILE N N 120.9 0.1 1 909 81 81 GLU H H 7.95 0.01 1 910 81 81 GLU HA H 4.16 0.01 1 911 81 81 GLU HB2 H 2.07 0.01 2 912 81 81 GLU HB3 H 1.78 0.01 2 913 81 81 GLU HG2 H 2.17 0.01 2 914 81 81 GLU HG3 H 2.16 0.01 2 915 81 81 GLU C C 176.2 0.1 1 916 81 81 GLU CA C 56.0 0.1 1 917 81 81 GLU CB C 29.8 0.1 1 918 81 81 GLU CG C 36.4 0.1 1 919 81 81 GLU N N 118.8 0.1 1 920 82 82 THR H H 8.24 0.01 1 921 82 82 THR HA H 4.32 0.01 1 922 82 82 THR HB H 4.55 0.01 1 923 82 82 THR HG2 H 1.38 0.01 1 924 82 82 THR C C 175.5 0.1 1 925 82 82 THR CA C 60.8 0.1 1 926 82 82 THR CB C 70.4 0.1 1 927 82 82 THR CG2 C 22.1 0.1 1 928 82 82 THR N N 111.5 0.1 1 929 83 83 LYS H H 8.70 0.01 1 930 83 83 LYS HA H 3.97 0.01 1 931 83 83 LYS HB2 H 1.91 0.01 2 932 83 83 LYS HB3 H 1.88 0.01 2 933 83 83 LYS HG2 H 1.45 0.01 2 934 83 83 LYS HG3 H 1.46 0.01 2 935 83 83 LYS HD2 H 1.88 0.01 2 936 83 83 LYS HD3 H 1.92 0.01 2 937 83 83 LYS HE2 H 3.00 0.01 1 938 83 83 LYS HE3 H 3.00 0.01 1 939 83 83 LYS C C 178.6 0.1 1 940 83 83 LYS CA C 59.2 0.1 1 941 83 83 LYS CB C 32.3 0.1 1 942 83 83 LYS CG C 24.7 0.1 1 943 83 83 LYS CD C 32.5 0.1 1 944 83 83 LYS CE C 41.8 0.1 1 945 83 83 LYS N N 122.4 0.1 1 946 84 84 SER H H 8.39 0.01 1 947 84 84 SER HA H 4.25 0.01 1 948 84 84 SER HB2 H 3.92 0.01 2 949 84 84 SER HB3 H 3.91 0.01 2 950 84 84 SER C C 177.2 0.1 1 951 84 84 SER CA C 60.9 0.1 1 952 84 84 SER CB C 62.3 0.1 1 953 84 84 SER N N 112.3 0.1 1 954 85 85 VAL H H 7.41 0.01 1 955 85 85 VAL HA H 3.69 0.01 1 956 85 85 VAL HB H 2.23 0.01 1 957 85 85 VAL HG1 H 0.82 0.01 1 958 85 85 VAL HG2 H 0.82 0.01 1 959 85 85 VAL C C 176.7 0.1 1 960 85 85 VAL CA C 66.3 0.1 1 961 85 85 VAL CB C 31.9 0.1 1 962 85 85 VAL CG1 C 21.0 0.1 1 963 85 85 VAL CG2 C 21.0 0.1 1 964 85 85 VAL N N 122.5 0.1 1 965 86 86 LEU H H 8.23 0.01 1 966 86 86 LEU HA H 3.94 0.01 1 967 86 86 LEU HB2 H 1.90 0.01 1 968 86 86 LEU HB3 H 1.42 0.01 1 969 86 86 LEU HG H 1.44 0.01 1 970 86 86 LEU HD1 H 0.80 0.01 2 971 86 86 LEU HD2 H 0.70 0.01 2 972 86 86 LEU C C 180.5 0.1 1 973 86 86 LEU CA C 58.1 0.1 1 974 86 86 LEU CB C 40.8 0.1 1 975 86 86 LEU CG C 26.08 0.1 1 976 86 86 LEU CD1 C 25.2 0.1 2 977 86 86 LEU CD2 C 22.6 0.1 2 978 86 86 LEU N N 121.0 0.1 1 979 87 87 GLU H H 8.63 0.01 1 980 87 87 GLU HA H 4.01 0.01 1 981 87 87 GLU HB2 H 2.13 0.01 2 982 87 87 GLU HB3 H 2.06 0.01 2 983 87 87 GLU HG2 H 2.40 0.01 2 984 87 87 GLU HG3 H 2.41 0.01 2 985 87 87 GLU C C 179.4 0.1 1 986 87 87 GLU CA C 59.2 0.1 1 987 87 87 GLU CB C 29.5 0.1 1 988 87 87 GLU CG C 36.4 0.1 1 989 87 87 GLU N N 118.8 0.1 1 990 88 88 LYS H H 7.69 0.01 1 991 88 88 LYS HA H 4.31 0.01 1 992 88 88 LYS HB2 H 2.08 0.01 2 993 88 88 LYS HB3 H 1.89 0.01 2 994 88 88 LYS HG2 H 1.50 0.01 2 995 88 88 LYS HG3 H 1.78 0.01 2 996 88 88 LYS HD2 H 1.70 0.01 2 997 88 88 LYS HD3 H 1.71 0.01 2 998 88 88 LYS HE2 H 2.98 0.01 1 999 88 88 LYS HE3 H 2.98 0.01 1 1000 88 88 LYS C C 176.3 0.1 1 1001 88 88 LYS CA C 57.5 0.1 1 1002 88 88 LYS CB C 32.0 0.1 1 1003 88 88 LYS CG C 24.8 0.1 1 1004 88 88 LYS CD C 29.6 0.1 1 1005 88 88 LYS CE C 42.2 0.1 1 1006 88 88 LYS N N 116.9 0.1 1 1007 89 89 ASN H H 7.41 0.01 1 1008 89 89 ASN HA H 4.53 0.01 1 1009 89 89 ASN HB2 H 2.74 0.01 2 1010 89 89 ASN HB3 H 2.67 0.01 2 1011 89 89 ASN C C 174.1 0.1 1 1012 89 89 ASN CA C 54.2 0.1 1 1013 89 89 ASN CB C 41.7 0.1 1 1014 89 89 ASN N N 115.5 0.1 1 1015 90 90 LYS H H 7.31 0.01 1 1016 90 90 LYS HA H 4.20 0.01 1 1017 90 90 LYS HB2 H 1.84 0.01 1 1018 90 90 LYS HB3 H 1.88 0.01 1 1019 90 90 LYS HG2 H 1.35 0.01 1 1020 90 90 LYS HG3 H 1.47 0.01 1 1021 90 90 LYS HD2 H 1.70 0.01 2 1022 90 90 LYS HD3 H 1.69 0.01 2 1023 90 90 LYS HE2 H 2.94 0.01 1 1024 90 90 LYS HE3 H 2.94 0.01 1 1025 90 90 LYS C C 175.8 0.1 1 1026 90 90 LYS CA C 57.3 0.1 1 1027 90 90 LYS CB C 32.3 0.1 1 1028 90 90 LYS CG C 24.5 0.1 1 1029 90 90 LYS CD C 29.2 0.1 1 1030 90 90 LYS CE C 41.8 0.1 1 1031 90 90 LYS N N 122.6 0.1 1 1032 91 91 ILE H H 8.52 0.01 1 1033 91 91 ILE HA H 4.22 0.01 1 1034 91 91 ILE HB H 1.91 0.01 1 1035 91 91 ILE HG12 H 1.51 0.01 2 1036 91 91 ILE HG13 H 1.31 0.01 2 1037 91 91 ILE HG2 H 0.92 0.01 1 1038 91 91 ILE HD1 H 0.83 0.01 1 1039 91 91 ILE C C 176.2 0.1 1 1040 91 91 ILE CA C 60.2 0.1 1 1041 91 91 ILE CB C 38.2 0.1 1 1042 91 91 ILE CG1 C 27.0 0.1 1 1043 91 91 ILE CG2 C 17.4 0.1 1 1044 91 91 ILE CD1 C 12.4 0.1 1 1045 91 91 ILE N N 125.3 0.1 1 1046 92 92 GLU H H 8.63 0.01 1 1047 92 92 GLU HA H 4.26 0.01 1 1048 92 92 GLU HB2 H 2.04 0.01 2 1049 92 92 GLU HB3 H 1.92 0.01 2 1050 92 92 GLU HG2 H 2.26 0.01 1 1051 92 92 GLU HG3 H 2.27 0.01 1 1052 92 92 GLU C C 176.5 0.1 1 1053 92 92 GLU CA C 56.5 0.1 1 1054 92 92 GLU CB C 30.2 0.1 1 1055 92 92 GLU CG C 36.0 0.1 1 1056 92 92 GLU N N 125.8 0.1 1 1057 93 93 GLU H H 8.52 0.01 1 1058 93 93 GLU HA H 4.27 0.01 1 1059 93 93 GLU HB2 H 2.06 0.01 1 1060 93 93 GLU HB3 H 1.92 0.01 1 1061 93 93 GLU HG2 H 2.26 0.01 2 1062 93 93 GLU HG3 H 2.27 0.01 2 1063 93 93 GLU C C 176.8 0.1 1 1064 93 93 GLU CA C 56.4 0.1 1 1065 93 93 GLU CB C 30.2 0.1 1 1066 93 93 GLU CG C 36.0 0.1 1 1067 93 93 GLU N N 122.1 0.1 1 1068 94 94 GLU H H 8.37 0.01 1 1069 94 94 GLU HA H 4.25 0.01 1 1070 94 94 GLU HB2 H 2.04 0.01 1 1071 94 94 GLU HB3 H 1.92 0.01 1 1072 94 94 GLU HG2 H 2.25 0.01 2 1073 94 94 GLU HG3 H 2.27 0.01 2 1074 94 94 GLU C C 177.2 0.1 1 1075 94 94 GLU CA C 56.5 0.1 1 1076 94 94 GLU CB C 30.1 0.1 1 1077 94 94 GLU CG C 36.0 0.1 1 1078 94 94 GLU N N 120.5 0.1 1 1079 95 95 ALA H H 8.36 0.01 1 1080 95 95 ALA HA H 4.29 0.01 1 1081 95 95 ALA HB H 1.38 0.01 1 1082 95 95 ALA C C 177.8 0.1 1 1083 95 95 ALA CA C 52.4 0.1 1 1084 95 95 ALA CB C 19.1 0.1 1 1085 95 95 ALA N N 120.4 0.1 1 1086 96 96 GLU H H 8.36 0.01 1 1087 96 96 GLU HA H 4.27 0.01 1 1088 96 96 GLU HB2 H 1.91 0.01 1 1089 96 96 GLU HB3 H 2.04 0.01 1 1090 96 96 GLU HG2 H 2.24 0.01 2 1091 96 96 GLU HG3 H 2.27 0.01 2 1092 96 96 GLU C C 176.4 0.1 1 1093 96 96 GLU CA C 56.5 0.1 1 1094 96 96 GLU CB C 30.1 0.1 1 1095 96 96 GLU CG C 36.0 0.1 1 1096 96 96 GLU N N 120.4 0.1 1 1097 97 97 ALA H H 8.34 0.01 1 1098 97 97 ALA HA H 4.27 0.01 1 1099 97 97 ALA HB H 1.38 0.01 1 1100 97 97 ALA C C 176.3 0.1 1 1101 97 97 ALA CA C 52.5 0.1 1 1102 97 97 ALA CB C 19.1 0.1 1 1103 97 97 ALA N N 125.1 0.1 1 1104 98 98 GLU H H 8.35 0.01 1 1105 98 98 GLU HA H 4.25 0.01 1 1106 98 98 GLU HB2 H 2.03 0.01 2 1107 98 98 GLU HB3 H 1.93 0.01 2 1108 98 98 GLU HG2 H 2.28 0.01 2 1109 98 98 GLU HG3 H 2.25 0.01 2 1110 98 98 GLU C C 176.8 0.1 1 1111 98 98 GLU CA C 56.5 0.1 1 1112 98 98 GLU CB C 30.1 0.1 1 1113 98 98 GLU CG C 36.1 0.1 1 1114 98 98 GLU N N 125.0 0.1 1 1115 99 99 VAL H H 8.16 0.01 1 1116 99 99 VAL HA H 4.07 0.01 1 1117 99 99 VAL HB H 2.06 0.01 1 1118 99 99 VAL HG1 H 0.92 0.01 2 1119 99 99 VAL HG2 H 0.94 0.01 2 1120 99 99 VAL C C 176.1 0.1 1 1121 99 99 VAL CA C 62.1 0.1 1 1122 99 99 VAL CB C 32.7 0.1 1 1123 99 99 VAL CG1 C 20.9 0.1 2 1124 99 99 VAL CG2 C 20.8 0.1 2 1125 99 99 VAL N N 121.5 0.1 1 1126 100 100 ALA H H 8.37 0.01 1 1127 100 100 ALA N N 127.7 0.1 1 1128 101 101 GLU HA H 4.25 0.01 1 1129 101 101 GLU HB2 H 1.91 0.01 1 1130 101 101 GLU HB3 H 1.91 0.01 1 1131 101 101 GLU HG2 H 2.25 0.01 2 1132 101 101 GLU HG3 H 2.27 0.01 2 1133 101 101 GLU C C 176.6 0.1 1 1134 101 101 GLU CA C 56.5 0.1 1 1135 101 101 GLU CB C 30.2 0.1 1 1136 101 101 GLU CG C 36.0 0.1 1 1137 102 102 GLU H H 8.51 0.01 1 1138 102 102 GLU HG2 H 2.30 0.01 2 1139 102 102 GLU HG3 H 2.40 0.01 2 1140 102 102 GLU C C 176.8 0.1 1 1141 102 102 GLU CG C 36.0 0.1 1 1142 102 102 GLU N N 122.1 0.1 1 stop_ save_