data_11548 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DESIGNED ARMADILLO REPEAT PROTEIN FRAGMENT (MAII) ; _BMRB_accession_number 11548 _BMRB_flat_file_name bmr11548.str _Entry_type original _Submission_date 2013-12-09 _Accession_date 2013-12-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of the C-terminal fragment from a split Armadillo repeat protein"' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zerbe Oliver . . 2 Christen Martin T . 3 Plueckthun Andreas . . 4 Watson Randall W . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 374 "13C chemical shifts" 281 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-21 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11544 'Solution structure of the complex formed in solution by a split Armadillo repeat protein (YIIM2-MAII)' stop_ _Original_release_date 2014-07-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Spontaneous Self-Assembly of Fragments of Engineered Armadillo Repeat Proteins into Folded Proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24931467 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Watson Randall W . 2 Christen Martin T . 3 Ewald Christina . . 4 Bumback Fabian . . 5 Reichen Christian . . 6 Mihajlovic Maja . . 7 Schmidt E. . . 8 Guntert Peter . . 9 Caflisch Amedeo . . 10 Plueckthun Andreas . . 11 Zerbe Oliver . . stop_ _Journal_abbreviation Structure _Journal_volume 22 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 985 _Page_last 995 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MA $MA 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_MA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MA _Molecular_mass 9104.170 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GNEQIQAVIDAGALPALVQL LSSPNEQILQEALWALSNIA SGGNEQKQAVKEAGALEKLE QLQSHENEKIQKEAQEALEK LQSH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 116 GLY 2 117 ASN 3 118 GLU 4 119 GLN 5 120 ILE 6 121 GLN 7 122 ALA 8 123 VAL 9 124 ILE 10 125 ASP 11 126 ALA 12 127 GLY 13 128 ALA 14 129 LEU 15 130 PRO 16 131 ALA 17 132 LEU 18 133 VAL 19 134 GLN 20 135 LEU 21 136 LEU 22 137 SER 23 138 SER 24 139 PRO 25 140 ASN 26 141 GLU 27 142 GLN 28 143 ILE 29 144 LEU 30 145 GLN 31 146 GLU 32 147 ALA 33 148 LEU 34 149 TRP 35 150 ALA 36 151 LEU 37 152 SER 38 153 ASN 39 154 ILE 40 155 ALA 41 156 SER 42 157 GLY 43 158 GLY 44 159 ASN 45 160 GLU 46 161 GLN 47 162 LYS 48 163 GLN 49 164 ALA 50 165 VAL 51 166 LYS 52 167 GLU 53 168 ALA 54 169 GLY 55 170 ALA 56 171 LEU 57 172 GLU 58 173 LYS 59 174 LEU 60 175 GLU 61 176 GLN 62 177 LEU 63 178 GLN 64 179 SER 65 180 HIS 66 181 GLU 67 182 ASN 68 183 GLU 69 184 LYS 70 185 ILE 71 186 GLN 72 187 LYS 73 188 GLU 74 189 ALA 75 190 GLN 76 191 GLU 77 192 ALA 78 193 LEU 79 194 GLU 80 195 LYS 81 196 LEU 82 197 GLN 83 198 SER 84 199 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 2RU4 "Designed Armadillo Repeat Protein Self-assembled Complex (yiim2-maii)" 100.00 84 100.00 100.00 4.10e-47 PDB 2RU5 "Designed Armadillo Repeat Protein Fragment (maii)" 100.00 84 100.00 100.00 4.10e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MA . . . . . . 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 $MA 'recombinant technology' 'E. coli' Escherichia coli M15 pLIC_CR 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 $MA 0.75 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' glycerol 2 % 'natural abundance' TMSP 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 88 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version 2.3.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'Windows version' save_ save_UNIO _Saveframe_category software _Name UNIO _Version 2.0.2 loop_ _Vendor _Address _Electronic_address '(UNIO) Herrmann' . . stop_ loop_ _Task 'data analysis' 'peak picking' 'structure solution' stop_ _Details 'UNIO'10 interfaced with CYANA 3.96a' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.96a loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.32 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS-N _Saveframe_category software _Name TALOS-N _Version 4.01 loop_ _Vendor _Address _Electronic_address 'Shen and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Institute of Organic Chemistry, University of Zuerich' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Institute of Organic Chemistry, University of Zuerich' 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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 'ionic strength' 285 . mM pH 7.4 . pH pressure 1 . atm temperature 310 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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_MA_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' 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 MA _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 1 130 15 PRO HA H 4.191 0.03 1 2 130 15 PRO HB2 H 1.828 0.03 2 3 130 15 PRO HB3 H 2.355 0.03 2 4 130 15 PRO HG2 H 2.141 0.03 1 5 130 15 PRO HG3 H 2.141 0.03 1 6 130 15 PRO HD2 H 3.728 0.03 2 7 130 15 PRO HD3 H 3.625 0.03 2 8 130 15 PRO CA C 66.568 0.1 1 9 130 15 PRO CB C 30.684 0.1 1 10 130 15 PRO CG C 28.588 0.1 1 11 130 15 PRO CD C 50.138 0.1 1 12 131 16 ALA H H 7.195 0.03 1 13 131 16 ALA HA H 4.074 0.03 1 14 131 16 ALA HB H 1.398 0.03 1 15 131 16 ALA C C 179.923 0.1 1 16 131 16 ALA CA C 54.647 0.1 1 17 131 16 ALA CB C 18.324 0.1 1 18 131 16 ALA N N 118.736 0.3 1 19 132 17 LEU H H 7.688 0.03 1 20 132 17 LEU HA H 3.821 0.03 1 21 132 17 LEU HB2 H 1.692 0.03 2 22 132 17 LEU HB3 H 1.594 0.03 2 23 132 17 LEU HG H 1.383 0.03 1 24 132 17 LEU HD1 H 0.754 0.03 2 25 132 17 LEU HD2 H 0.871 0.03 2 26 132 17 LEU C C 178.348 0.1 1 27 132 17 LEU CA C 58.029 0.1 1 28 132 17 LEU CB C 42.184 0.1 1 29 132 17 LEU CG C 27.095 0.1 1 30 132 17 LEU CD1 C 24.145 0.1 2 31 132 17 LEU CD2 C 25.427 0.1 2 32 132 17 LEU N N 119.546 0.3 1 33 133 18 VAL H H 8.041 0.03 1 34 133 18 VAL HA H 3.313 0.03 1 35 133 18 VAL HB H 2.063 0.03 1 36 133 18 VAL HG1 H 0.735 0.03 2 37 133 18 VAL HG2 H 0.832 0.03 2 38 133 18 VAL C C 179.116 0.1 1 39 133 18 VAL CA C 66.675 0.1 1 40 133 18 VAL CB C 31.168 0.1 1 41 133 18 VAL CG1 C 23.794 0.1 2 42 133 18 VAL CG2 C 21.564 0.1 2 43 133 18 VAL N N 116.318 0.3 1 44 134 19 GLN H H 7.713 0.03 1 45 134 19 GLN HA H 3.976 0.03 1 46 134 19 GLN HB2 H 2.104 0.03 2 47 134 19 GLN HB3 H 2.163 0.03 2 48 134 19 GLN HG2 H 2.41 0.03 2 49 134 19 GLN HG3 H 2.414 0.03 2 50 134 19 GLN C C 179.131 0.1 1 51 134 19 GLN CA C 58.841 0.1 1 52 134 19 GLN CB C 28.503 0.1 1 53 134 19 GLN CG C 33.413 0.1 1 54 134 19 GLN N N 118.604 0.3 1 55 135 20 LEU H H 7.546 0.03 1 56 135 20 LEU HA H 4.017 0.03 1 57 135 20 LEU HB2 H 1.34 0.03 2 58 135 20 LEU HB3 H 2.043 0.03 2 59 135 20 LEU HG H 0.735 0.03 1 60 135 20 LEU HD1 H 0.829 0.03 2 61 135 20 LEU HD2 H 0.735 0.03 2 62 135 20 LEU C C 177.925 0.1 1 63 135 20 LEU CA C 56.957 0.1 1 64 135 20 LEU CB C 41.243 0.1 1 65 135 20 LEU CG C 25.963 0.1 1 66 135 20 LEU CD1 C 21.641 0.1 2 67 135 20 LEU CD2 C 21.587 0.1 2 68 135 20 LEU N N 119.746 0.3 1 69 136 21 LEU H H 7.449 0.03 1 70 136 21 LEU HA H 4.133 0.03 1 71 136 21 LEU HB2 H 1.417 0.03 2 72 136 21 LEU HB3 H 1.959 0.03 2 73 136 21 LEU HD1 H 0.617 0.03 2 74 136 21 LEU HD2 H 0.636 0.03 2 75 136 21 LEU C C 176.56 0.1 1 76 136 21 LEU CA C 56.046 0.1 1 77 136 21 LEU CB C 40.713 0.1 1 78 136 21 LEU CG C 26.026 0.1 1 79 136 21 LEU CD1 C 22.591 0.1 2 80 136 21 LEU CD2 C 22.214 0.1 2 81 136 21 LEU N N 115.553 0.3 1 82 137 22 SER H H 7.35 0.03 1 83 137 22 SER HA H 4.601 0.03 1 84 137 22 SER HB2 H 3.859 0.03 2 85 137 22 SER HB3 H 3.957 0.03 2 86 137 22 SER C C 174.144 0.1 1 87 137 22 SER CA C 57.715 0.1 1 88 137 22 SER CB C 63.656 0.1 1 89 137 22 SER N N 111.03 0.3 1 90 138 23 SER H H 7.509 0.03 1 91 138 23 SER HA H 4.446 0.03 1 92 138 23 SER HB2 H 4.114 0.03 2 93 138 23 SER HB3 H 3.704 0.03 2 94 138 23 SER C C 174.714 0.1 1 95 138 23 SER CA C 56.795 0.1 1 96 138 23 SER CB C 65.085 0.1 1 97 138 23 SER N N 117.97 0.3 1 98 139 24 PRO HA H 4.563 0.03 1 99 139 24 PRO HB2 H 2.239 0.03 1 100 139 24 PRO HB3 H 2.239 0.03 1 101 139 24 PRO HG2 H 1.925 0.03 2 102 139 24 PRO HG3 H 2.006 0.03 2 103 139 24 PRO HD2 H 3.82 0.03 1 104 139 24 PRO HD3 H 3.82 0.03 1 105 139 24 PRO CA C 63.153 0.1 1 106 139 24 PRO CB C 31.769 0.1 1 107 139 24 PRO CG C 26.664 0.1 1 108 139 24 PRO CD C 50.797 0.1 1 109 140 25 ASN H H 8.203 0.03 1 110 140 25 ASN HA H 4.641 0.03 1 111 140 25 ASN HB2 H 2.609 0.03 2 112 140 25 ASN HB3 H 2.96 0.03 2 113 140 25 ASN C C 175.005 0.1 1 114 140 25 ASN CA C 52.725 0.1 1 115 140 25 ASN CB C 39.135 0.1 1 116 140 25 ASN N N 120.229 0.3 1 117 141 26 GLU H H 8.982 0.03 1 118 141 26 GLU HA H 3.801 0.03 1 119 141 26 GLU HB2 H 2.041 0.03 2 120 141 26 GLU HB3 H 1.964 0.03 2 121 141 26 GLU HG2 H 2.18 0.03 2 122 141 26 GLU HG3 H 2.434 0.03 2 123 141 26 GLU C C 177.837 0.1 1 124 141 26 GLU CA C 59.906 0.1 1 125 141 26 GLU CB C 29.641 0.1 1 126 141 26 GLU CG C 37.411 0.1 1 127 141 26 GLU N N 126.351 0.3 1 128 142 27 GLN H H 8.078 0.03 1 129 142 27 GLN HA H 4.006 0.03 1 130 142 27 GLN HB2 H 2.158 0.03 2 131 142 27 GLN HB3 H 2.061 0.03 2 132 142 27 GLN HG2 H 2.337 0.03 2 133 142 27 GLN HG3 H 2.317 0.03 2 134 142 27 GLN C C 178.354 0.1 1 135 142 27 GLN CA C 59.318 0.1 1 136 142 27 GLN CB C 27.987 0.1 1 137 142 27 GLN CG C 33.702 0.1 1 138 142 27 GLN N N 119.317 0.3 1 139 143 28 ILE H H 7.268 0.03 1 140 143 28 ILE HA H 3.605 0.03 1 141 143 28 ILE HB H 2.024 0.03 1 142 143 28 ILE HG12 H 1.477 0.03 2 143 143 28 ILE HG13 H 1.085 0.03 2 144 143 28 ILE HG2 H 0.93 0.03 1 145 143 28 ILE HD1 H 0.793 0.03 1 146 143 28 ILE C C 177.835 0.1 1 147 143 28 ILE CA C 64.047 0.1 1 148 143 28 ILE CB C 37.118 0.1 1 149 143 28 ILE CG1 C 28.585 0.1 1 150 143 28 ILE CG2 C 18.119 0.1 1 151 143 28 ILE CD1 C 11.87 0.1 1 152 143 28 ILE N N 121.254 0.3 1 153 144 29 LEU H H 8.045 0.03 1 154 144 29 LEU HA H 3.898 0.03 1 155 144 29 LEU HB2 H 1.781 0.03 2 156 144 29 LEU HB3 H 1.378 0.03 2 157 144 29 LEU HG H 2.042 0.03 1 158 144 29 LEU HD1 H 0.905 0.03 2 159 144 29 LEU HD2 H 0.871 0.03 2 160 144 29 LEU C C 178.86 0.1 1 161 144 29 LEU CA C 58.797 0.1 1 162 144 29 LEU CB C 43.025 0.1 1 163 144 29 LEU CG C 27.625 0.1 1 164 144 29 LEU CD1 C 25.862 0.1 2 165 144 29 LEU CD2 C 26.111 0.1 2 166 144 29 LEU N N 120.375 0.3 1 167 145 30 GLN H H 7.905 0.03 1 168 145 30 GLN HA H 3.545 0.03 1 169 145 30 GLN HB2 H 1.793 0.03 2 170 145 30 GLN HB3 H 1.887 0.03 2 171 145 30 GLN HG2 H 1.829 0.03 2 172 145 30 GLN HG3 H 1.965 0.03 2 173 145 30 GLN C C 177.875 0.1 1 174 145 30 GLN CA C 59.735 0.1 1 175 145 30 GLN CB C 28.985 0.1 1 176 145 30 GLN CG C 35.023 0.1 1 177 145 30 GLN N N 116.019 0.3 1 178 146 31 GLU H H 7.655 0.03 1 179 146 31 GLU HA H 3.564 0.03 1 180 146 31 GLU HB2 H 2.161 0.03 2 181 146 31 GLU HB3 H 2.238 0.03 2 182 146 31 GLU HG2 H 2.414 0.03 2 183 146 31 GLU HG3 H 2.374 0.03 2 184 146 31 GLU C C 179.458 0.1 1 185 146 31 GLU CA C 59.59 0.1 1 186 146 31 GLU CB C 28.736 0.1 1 187 146 31 GLU CG C 34.029 0.1 1 188 146 31 GLU N N 119.099 0.3 1 189 147 32 ALA H H 8.485 0.03 1 190 147 32 ALA HA H 4.01 0.03 1 191 147 32 ALA HB H 1.515 0.03 1 192 147 32 ALA C C 179.081 0.1 1 193 147 32 ALA CA C 55.206 0.1 1 194 147 32 ALA CB C 17.918 0.1 1 195 147 32 ALA N N 123.843 0.3 1 196 148 33 LEU H H 8.428 0.03 1 197 148 33 LEU HA H 3.763 0.03 1 198 148 33 LEU HB2 H 1.594 0.03 2 199 148 33 LEU HB3 H 1.494 0.03 2 200 148 33 LEU HG H 1.769 0.03 1 201 148 33 LEU HD1 H 0.753 0.03 2 202 148 33 LEU HD2 H 0.675 0.03 2 203 148 33 LEU C C 178.984 0.1 1 204 148 33 LEU CA C 58.351 0.1 1 205 148 33 LEU CB C 42.004 0.1 1 206 148 33 LEU CG C 26.826 0.1 1 207 148 33 LEU CD1 C 25.492 0.1 1 208 148 33 LEU CD2 C 25.492 0.1 1 209 148 33 LEU N N 119.291 0.3 1 210 149 34 TRP H H 8.261 0.03 1 211 149 34 TRP HA H 4.328 0.03 1 212 149 34 TRP HB2 H 3.293 0.03 2 213 149 34 TRP HB3 H 3.332 0.03 2 214 149 34 TRP C C 178.973 0.1 1 215 149 34 TRP CA C 60.099 0.1 1 216 149 34 TRP CB C 28.496 0.1 1 217 149 34 TRP N N 120.836 0.3 1 218 150 35 ALA H H 8.057 0.03 1 219 150 35 ALA HA H 4.017 0.03 1 220 150 35 ALA HB H 1.365 0.03 1 221 150 35 ALA C C 180.491 0.1 1 222 150 35 ALA CA C 55.264 0.1 1 223 150 35 ALA CB C 18.389 0.1 1 224 150 35 ALA N N 121.683 0.3 1 225 151 36 LEU H H 8.592 0.03 1 226 151 36 LEU HA H 3.994 0.03 1 227 151 36 LEU HB2 H 1.516 0.03 2 228 151 36 LEU HB3 H 1.788 0.03 2 229 151 36 LEU HG H 1.512 0.03 1 230 151 36 LEU HD1 H 0.618 0.03 2 231 151 36 LEU HD2 H 0.764 0.03 2 232 151 36 LEU C C 178.608 0.1 1 233 151 36 LEU CA C 57.91 0.1 1 234 151 36 LEU CB C 42.123 0.1 1 235 151 36 LEU CG C 27.024 0.1 1 236 151 36 LEU CD1 C 25.474 0.1 2 237 151 36 LEU CD2 C 23.608 0.1 2 238 151 36 LEU N N 119.006 0.3 1 239 152 37 SER H H 8.498 0.03 1 240 152 37 SER HB2 H 3.86 0.03 1 241 152 37 SER HB3 H 3.86 0.03 1 242 152 37 SER C C 176.97 0.1 1 243 152 37 SER CA C 61.683 0.1 1 244 152 37 SER CB C 63.117 0.1 1 245 152 37 SER N N 114.706 0.3 1 246 153 38 ASN H H 7.729 0.03 1 247 153 38 ASN HA H 4.25 0.03 1 248 153 38 ASN HB2 H 2.451 0.03 2 249 153 38 ASN HB3 H 2.531 0.03 2 250 153 38 ASN C C 178.479 0.1 1 251 153 38 ASN CA C 56.298 0.1 1 252 153 38 ASN CB C 38.347 0.1 1 253 153 38 ASN N N 118.607 0.3 1 254 154 39 ILE H H 8.007 0.03 1 255 154 39 ILE HA H 3.626 0.03 1 256 154 39 ILE HB H 1.789 0.03 1 257 154 39 ILE HG12 H 0.988 0.03 1 258 154 39 ILE HG13 H 0.988 0.03 1 259 154 39 ILE HG2 H 0.734 0.03 1 260 154 39 ILE HD1 H 0.657 0.03 1 261 154 39 ILE C C 178.381 0.1 1 262 154 39 ILE CA C 64.965 0.1 1 263 154 39 ILE CB C 38.288 0.1 1 264 154 39 ILE CG1 C 29.206 0.1 1 265 154 39 ILE CG2 C 17.554 0.1 1 266 154 39 ILE CD1 C 13.756 0.1 1 267 154 39 ILE N N 122.229 0.3 1 268 155 40 ALA H H 8.243 0.03 1 269 155 40 ALA HA H 3.744 0.03 1 270 155 40 ALA HB H 1.36 0.03 1 271 155 40 ALA C C 176.53 0.1 1 272 155 40 ALA CA C 54.031 0.1 1 273 155 40 ALA CB C 18.55 0.1 1 274 155 40 ALA N N 119.939 0.3 1 275 156 41 SER H H 7.316 0.03 1 276 156 41 SER HA H 4.348 0.03 1 277 156 41 SER HB2 H 3.958 0.03 1 278 156 41 SER HB3 H 3.958 0.03 1 279 156 41 SER C C 174.748 0.1 1 280 156 41 SER CA C 59.599 0.1 1 281 156 41 SER CB C 63.736 0.1 1 282 156 41 SER N N 110.947 0.3 1 283 157 42 GLY H H 7.827 0.03 1 284 157 42 GLY HA2 H 3.742 0.03 2 285 157 42 GLY HA3 H 4.133 0.03 2 286 157 42 GLY CA C 45.346 0.1 1 287 157 42 GLY N N 108.836 0.3 1 288 158 43 GLY H H 7.638 0.03 1 289 158 43 GLY HA2 H 4.035 0.03 2 290 158 43 GLY HA3 H 4.289 0.03 2 291 158 43 GLY C C 174.347 0.1 1 292 158 43 GLY CA C 44.617 0.1 1 293 158 43 GLY N N 105.443 0.3 1 294 162 47 LYS H H 7.92 0.03 1 295 162 47 LYS HA H 3.625 0.03 1 296 162 47 LYS HB2 H 1.984 0.03 2 297 162 47 LYS HB3 H 1.808 0.03 2 298 162 47 LYS HG2 H 1.613 0.03 2 299 162 47 LYS HG3 H 1.281 0.03 2 300 162 47 LYS HD2 H 1.789 0.03 2 301 162 47 LYS HD3 H 1.653 0.03 2 302 162 47 LYS HE2 H 3.019 0.03 2 303 162 47 LYS HE3 H 2.844 0.03 2 304 162 47 LYS C C 178.557 0.1 1 305 162 47 LYS CA C 60.658 0.1 1 306 162 47 LYS CB C 32.794 0.1 1 307 162 47 LYS CG C 26.134 0.1 1 308 162 47 LYS CD C 29.809 0.1 1 309 162 47 LYS CE C 42.503 0.1 1 310 162 47 LYS N N 118.811 0.3 1 311 163 48 GLN H H 8.13 0.03 1 312 163 48 GLN HA H 4.015 0.03 1 313 163 48 GLN HB2 H 2.121 0.03 2 314 163 48 GLN HB3 H 2.16 0.03 2 315 163 48 GLN HG2 H 2.336 0.03 2 316 163 48 GLN HG3 H 2.414 0.03 2 317 163 48 GLN C C 177.881 0.1 1 318 163 48 GLN CA C 58.629 0.1 1 319 163 48 GLN CB C 27.663 0.1 1 320 163 48 GLN CG C 33.723 0.1 1 321 163 48 GLN N N 117.534 0.3 1 322 164 49 ALA H H 7.681 0.03 1 323 164 49 ALA HA H 4.076 0.03 1 324 164 49 ALA HB H 1.437 0.03 1 325 164 49 ALA C C 180.825 0.1 1 326 164 49 ALA CA C 55.125 0.1 1 327 164 49 ALA CB C 17.903 0.1 1 328 164 49 ALA N N 121.673 0.3 1 329 165 50 VAL H H 7.905 0.03 1 330 165 50 VAL HA H 3.51 0.03 1 331 165 50 VAL HB H 2.234 0.03 1 332 165 50 VAL HG1 H 0.99 0.03 2 333 165 50 VAL HG2 H 0.833 0.03 2 334 165 50 VAL C C 177.825 0.1 1 335 165 50 VAL CA C 66.627 0.1 1 336 165 50 VAL CB C 31.326 0.1 1 337 165 50 VAL CG1 C 23.573 0.1 1 338 165 50 VAL CG2 C 23.573 0.1 1 339 165 50 VAL N N 117.681 0.3 1 340 166 51 LYS H H 7.832 0.03 1 341 166 51 LYS HA H 3.898 0.03 1 342 166 51 LYS HB2 H 1.984 0.03 1 343 166 51 LYS HB3 H 1.984 0.03 1 344 166 51 LYS HG2 H 1.203 0.03 2 345 166 51 LYS HG3 H 1.733 0.03 2 346 166 51 LYS HD2 H 1.692 0.03 1 347 166 51 LYS HD3 H 1.692 0.03 1 348 166 51 LYS HE2 H 2.843 0.03 1 349 166 51 LYS HE3 H 2.843 0.03 1 350 166 51 LYS C C 181.173 0.1 1 351 166 51 LYS CA C 60.377 0.1 1 352 166 51 LYS CB C 31.877 0.1 1 353 166 51 LYS CG C 26.404 0.1 1 354 166 51 LYS CD C 29.551 0.1 1 355 166 51 LYS CE C 42.364 0.1 1 356 166 51 LYS N N 119.875 0.3 1 357 167 52 GLU H H 8.736 0.03 1 358 167 52 GLU HA H 4.035 0.03 1 359 167 52 GLU HB2 H 2.003 0.03 2 360 167 52 GLU HB3 H 2.062 0.03 2 361 167 52 GLU HG2 H 2.454 0.03 2 362 167 52 GLU HG3 H 2.277 0.03 2 363 167 52 GLU C C 177.229 0.1 1 364 167 52 GLU CA C 58.877 0.1 1 365 167 52 GLU CB C 29.159 0.1 1 366 167 52 GLU CG C 36.568 0.1 1 367 167 52 GLU N N 121.504 0.3 1 368 168 53 ALA H H 7.375 0.03 1 369 168 53 ALA HA H 4.348 0.03 1 370 168 53 ALA HB H 1.397 0.03 1 371 168 53 ALA C C 176.863 0.1 1 372 168 53 ALA CA C 52.159 0.1 1 373 168 53 ALA CB C 18.882 0.1 1 374 168 53 ALA N N 118.66 0.3 1 375 169 54 GLY H H 7.711 0.03 1 376 169 54 GLY HA2 H 3.937 0.03 2 377 169 54 GLY HA3 H 4.261 0.03 2 378 169 54 GLY C C 176.339 0.1 1 379 169 54 GLY CA C 45.489 0.1 1 380 169 54 GLY N N 103.807 0.3 1 381 170 55 ALA H H 7.259 0.03 1 382 170 55 ALA HA H 3.723 0.03 1 383 170 55 ALA HB H 1.105 0.03 1 384 170 55 ALA C C 178.634 0.1 1 385 170 55 ALA CA C 55.248 0.1 1 386 170 55 ALA CB C 20.396 0.1 1 387 170 55 ALA N N 117.5 0.3 1 388 171 56 LEU H H 8.855 0.03 1 389 171 56 LEU HA H 3.704 0.03 1 390 171 56 LEU HB2 H 1.712 0.03 2 391 171 56 LEU HB3 H 1.495 0.03 2 392 171 56 LEU HG H 1.633 0.03 1 393 171 56 LEU HD1 H 0.754 0.03 2 394 171 56 LEU HD2 H 0.871 0.03 2 395 171 56 LEU C C 178.673 0.1 1 396 171 56 LEU CA C 59.671 0.1 1 397 171 56 LEU CB C 40.246 0.1 1 398 171 56 LEU CG C 27.65 0.1 1 399 171 56 LEU CD1 C 24.174 0.1 2 400 171 56 LEU CD2 C 25.304 0.1 2 401 171 56 LEU N N 115.839 0.3 1 402 172 57 GLU H H 8.156 0.03 1 403 172 57 GLU HA H 3.997 0.03 1 404 172 57 GLU HB2 H 1.887 0.03 2 405 172 57 GLU HB3 H 2.004 0.03 2 406 172 57 GLU HG2 H 2.258 0.03 2 407 172 57 GLU HG3 H 2.237 0.03 2 408 172 57 GLU C C 179.3 0.1 1 409 172 57 GLU CA C 59.619 0.1 1 410 172 57 GLU CB C 29.109 0.1 1 411 172 57 GLU CG C 36.546 0.1 1 412 172 57 GLU N N 116.995 0.3 1 413 173 58 LYS H H 6.795 0.03 1 414 173 58 LYS HA H 4.092 0.03 1 415 173 58 LYS HB2 H 1.652 0.03 2 416 173 58 LYS HB3 H 1.769 0.03 2 417 173 58 LYS HG2 H 1.437 0.03 2 418 173 58 LYS HG3 H 1.378 0.03 2 419 173 58 LYS HD2 H 1.515 0.03 2 420 173 58 LYS HD3 H 1.496 0.03 2 421 173 58 LYS HE2 H 2.958 0.03 2 422 173 58 LYS HE3 H 2.824 0.03 2 423 173 58 LYS C C 179.289 0.1 1 424 173 58 LYS CA C 57.199 0.1 1 425 173 58 LYS CB C 32.627 0.1 1 426 173 58 LYS CG C 24.562 0.1 1 427 173 58 LYS CD C 27.955 0.1 1 428 173 58 LYS CE C 42.13 0.1 1 429 173 58 LYS N N 115.847 0.3 1 430 174 59 LEU H H 8.34 0.03 1 431 174 59 LEU HA H 3.918 0.03 1 432 174 59 LEU HB2 H 1.26 0.03 2 433 174 59 LEU HB3 H 1.984 0.03 2 434 174 59 LEU HG H 0.597 0.03 1 435 174 59 LEU HD1 H 0.793 0.03 2 436 174 59 LEU HD2 H 0.754 0.03 2 437 174 59 LEU C C 179.171 0.1 1 438 174 59 LEU CA C 58.04 0.1 1 439 174 59 LEU CB C 41.883 0.1 1 440 174 59 LEU CG C 26.065 0.1 1 441 174 59 LEU CD1 C 23.538 0.1 1 442 174 59 LEU CD2 C 23.538 0.1 1 443 174 59 LEU N N 119.604 0.3 1 444 175 60 GLU H H 8.19 0.03 1 445 175 60 GLU HA H 4.012 0.03 1 446 175 60 GLU HB2 H 1.964 0.03 2 447 175 60 GLU HB3 H 2.043 0.03 2 448 175 60 GLU HG2 H 2.1 0.03 2 449 175 60 GLU HG3 H 2.336 0.03 2 450 175 60 GLU C C 180.128 0.1 1 451 175 60 GLU CA C 59.539 0.1 1 452 175 60 GLU CB C 29.337 0.1 1 453 175 60 GLU CG C 36.649 0.1 1 454 175 60 GLU N N 117.963 0.3 1 455 176 61 GLN H H 7.327 0.03 1 456 176 61 GLN HA H 4.094 0.03 1 457 176 61 GLN HB2 H 2.161 0.03 2 458 176 61 GLN HB3 H 2.12 0.03 2 459 176 61 GLN HG2 H 2.317 0.03 2 460 176 61 GLN HG3 H 2.414 0.03 2 461 176 61 GLN C C 178.761 0.1 1 462 176 61 GLN CA C 58.346 0.1 1 463 176 61 GLN CB C 28.01 0.1 1 464 176 61 GLN CG C 34.085 0.1 1 465 176 61 GLN N N 118.033 0.3 1 466 177 62 LEU H H 7.743 0.03 1 467 177 62 LEU HA H 4.289 0.03 1 468 177 62 LEU HB2 H 1.378 0.03 2 469 177 62 LEU HB3 H 1.87 0.03 2 470 177 62 LEU HG H 1.613 0.03 1 471 177 62 LEU HD1 H 1.007 0.03 2 472 177 62 LEU HD2 H 0.988 0.03 2 473 177 62 LEU C C 177.521 0.1 1 474 177 62 LEU CA C 56.369 0.1 1 475 177 62 LEU CB C 42.464 0.1 1 476 177 62 LEU CG C 27.123 0.1 1 477 177 62 LEU CD1 C 23.467 0.1 2 478 177 62 LEU CD2 C 23.541 0.1 2 479 177 62 LEU N N 119.482 0.3 1 480 178 63 GLN H H 7.441 0.03 1 481 178 63 GLN HA H 4.094 0.03 1 482 178 63 GLN HB2 H 2.16 0.03 1 483 178 63 GLN HB3 H 2.16 0.03 1 484 178 63 GLN HG2 H 2.531 0.03 2 485 178 63 GLN HG3 H 2.298 0.03 2 486 178 63 GLN C C 175.691 0.1 1 487 178 63 GLN CA C 58.559 0.1 1 488 178 63 GLN CB C 28.922 0.1 1 489 178 63 GLN CG C 34.988 0.1 1 490 178 63 GLN N N 116.106 0.3 1 491 179 64 SER H H 7.496 0.03 1 492 179 64 SER HA H 4.6 0.03 1 493 179 64 SER HB2 H 3.858 0.03 2 494 179 64 SER HB3 H 3.883 0.03 2 495 179 64 SER C C 174.019 0.1 1 496 179 64 SER CA C 56.985 0.1 1 497 179 64 SER CB C 63.605 0.1 1 498 179 64 SER N N 110.91 0.3 1 499 180 65 HIS H H 7.531 0.03 1 500 180 65 HIS HA H 3.885 0.03 1 501 180 65 HIS HB2 H 2.765 0.03 2 502 180 65 HIS HB3 H 3.195 0.03 2 503 180 65 HIS C C 174.687 0.1 1 504 180 65 HIS CA C 59.674 0.1 1 505 180 65 HIS CB C 31.971 0.1 1 506 180 65 HIS N N 125.068 0.3 1 507 181 66 GLU H H 7.9 0.03 1 508 181 66 GLU HA H 4.094 0.03 1 509 181 66 GLU HB2 H 1.886 0.03 2 510 181 66 GLU HB3 H 1.902 0.03 2 511 181 66 GLU HG2 H 2.16 0.03 1 512 181 66 GLU HG3 H 2.16 0.03 1 513 181 66 GLU C C 177.1 0.1 1 514 181 66 GLU CA C 58.385 0.1 1 515 181 66 GLU CB C 29.758 0.1 1 516 181 66 GLU CG C 36.174 0.1 1 517 181 66 GLU N N 124.028 0.3 1 518 182 67 ASN H H 11.465 0.03 1 519 182 67 ASN HA H 4.711 0.03 1 520 182 67 ASN HB2 H 2.941 0.03 2 521 182 67 ASN HB3 H 3.291 0.03 2 522 182 67 ASN C C 176.197 0.1 1 523 182 67 ASN CA C 53.16 0.1 1 524 182 67 ASN CB C 38.887 0.1 1 525 182 67 ASN N N 124.572 0.3 1 526 183 68 GLU H H 8.971 0.03 1 527 183 68 GLU HA H 3.937 0.03 1 528 183 68 GLU HB2 H 2.044 0.03 2 529 183 68 GLU HB3 H 2.001 0.03 2 530 183 68 GLU HG2 H 2.355 0.03 2 531 183 68 GLU HG3 H 2.26 0.03 2 532 183 68 GLU C C 177.94 0.1 1 533 183 68 GLU CA C 59.487 0.1 1 534 183 68 GLU CB C 29.632 0.1 1 535 183 68 GLU CG C 36.448 0.1 1 536 183 68 GLU N N 127.789 0.3 1 537 184 69 LYS H H 8.141 0.03 1 538 184 69 LYS HA H 4.034 0.03 1 539 184 69 LYS HB2 H 1.812 0.03 1 540 184 69 LYS HB3 H 1.812 0.03 1 541 184 69 LYS HG2 H 1.378 0.03 2 542 184 69 LYS HG3 H 1.476 0.03 2 543 184 69 LYS HD2 H 2.959 0.03 1 544 184 69 LYS HD3 H 2.959 0.03 1 545 184 69 LYS C C 179.215 0.1 1 546 184 69 LYS CA C 59.255 0.1 1 547 184 69 LYS CB C 32.081 0.1 1 548 184 69 LYS CG C 25.177 0.1 1 549 184 69 LYS CD C 29.077 0.1 1 550 184 69 LYS CE C 42.217 0.1 1 551 184 69 LYS N N 119.595 0.3 1 552 185 70 ILE H H 7.138 0.03 1 553 185 70 ILE HA H 3.392 0.03 1 554 185 70 ILE HB H 1.751 0.03 1 555 185 70 ILE HG12 H 1.125 0.03 2 556 185 70 ILE HG13 H 0.754 0.03 2 557 185 70 ILE HG2 H 0.422 0.03 1 558 185 70 ILE HD1 H 0.439 0.03 1 559 185 70 ILE C C 177.039 0.1 1 560 185 70 ILE CA C 64.002 0.1 1 561 185 70 ILE CB C 36.459 0.1 1 562 185 70 ILE CG1 C 28.945 0.1 1 563 185 70 ILE CG2 C 17.11 0.1 1 564 185 70 ILE CD1 C 11.387 0.1 1 565 185 70 ILE N N 120.094 0.3 1 566 186 71 GLN H H 8.048 0.03 1 567 186 71 GLN HA H 3.957 0.03 1 568 186 71 GLN HB2 H 2.237 0.03 2 569 186 71 GLN HB3 H 2.159 0.03 2 570 186 71 GLN HG2 H 2.605 0.03 2 571 186 71 GLN HG3 H 2.5 0.03 2 572 186 71 GLN C C 178.899 0.1 1 573 186 71 GLN CA C 59.625 0.1 1 574 186 71 GLN CB C 28.686 0.1 1 575 186 71 GLN CG C 33.723 0.1 1 576 186 71 GLN N N 118.078 0.3 1 577 187 72 LYS H H 7.737 0.03 1 578 187 72 LYS HA H 4.017 0.03 1 579 187 72 LYS HB2 H 1.89 0.03 2 580 187 72 LYS HB3 H 1.941 0.03 2 581 187 72 LYS HG2 H 1.437 0.03 2 582 187 72 LYS HG3 H 1.554 0.03 2 583 187 72 LYS HD2 H 1.653 0.03 1 584 187 72 LYS HD3 H 1.653 0.03 1 585 187 72 LYS HE2 H 2.946 0.03 2 586 187 72 LYS HE3 H 2.825 0.03 2 587 187 72 LYS C C 179.257 0.1 1 588 187 72 LYS CA C 59.159 0.1 1 589 187 72 LYS CB C 32.487 0.1 1 590 187 72 LYS CG C 24.881 0.1 1 591 187 72 LYS CD C 29.074 0.1 1 592 187 72 LYS CE C 42.163 0.1 1 593 187 72 LYS N N 117.532 0.3 1 594 188 73 GLU H H 7.956 0.03 1 595 188 73 GLU HA H 4.033 0.03 1 596 188 73 GLU HB2 H 1.983 0.03 1 597 188 73 GLU HB3 H 1.983 0.03 1 598 188 73 GLU HG2 H 2.309 0.03 2 599 188 73 GLU HG3 H 2.532 0.03 2 600 188 73 GLU C C 179.789 0.1 1 601 188 73 GLU CA C 59.016 0.1 1 602 188 73 GLU CB C 28.995 0.1 1 603 188 73 GLU CG C 34.939 0.1 1 604 188 73 GLU N N 119.619 0.3 1 605 189 74 ALA H H 8.848 0.03 1 606 189 74 ALA HA H 3.939 0.03 1 607 189 74 ALA HB H 1.359 0.03 1 608 189 74 ALA C C 178.933 0.1 1 609 189 74 ALA CA C 55.395 0.1 1 610 189 74 ALA CB C 18.464 0.1 1 611 189 74 ALA N N 122.474 0.3 1 612 190 75 GLN H H 8.088 0.03 1 613 190 75 GLN HA H 3.976 0.03 1 614 190 75 GLN HB2 H 2.162 0.03 2 615 190 75 GLN HB3 H 2.119 0.03 2 616 190 75 GLN HG2 H 2.316 0.03 2 617 190 75 GLN HG3 H 2.492 0.03 2 618 190 75 GLN C C 178.623 0.1 1 619 190 75 GLN CA C 59.355 0.1 1 620 190 75 GLN CB C 28.266 0.1 1 621 190 75 GLN CG C 33.765 0.1 1 622 190 75 GLN N N 118.223 0.3 1 623 191 76 GLU H H 8.119 0.03 1 624 191 76 GLU HA H 4.037 0.03 1 625 191 76 GLU HB2 H 2.044 0.03 2 626 191 76 GLU HB3 H 1.985 0.03 2 627 191 76 GLU HG2 H 2.318 0.03 2 628 191 76 GLU HG3 H 2.413 0.03 2 629 191 76 GLU C C 179.089 0.1 1 630 191 76 GLU CA C 59.224 0.1 1 631 191 76 GLU CB C 29.385 0.1 1 632 191 76 GLU CG C 33.937 0.1 1 633 191 76 GLU N N 119.276 0.3 1 634 192 77 ALA H H 8.051 0.03 1 635 192 77 ALA HA H 3.928 0.03 1 636 192 77 ALA HB H 1.318 0.03 1 637 192 77 ALA C C 179.06 0.1 1 638 192 77 ALA CA C 55.288 0.1 1 639 192 77 ALA CB C 17.783 0.1 1 640 192 77 ALA N N 121.598 0.3 1 641 193 78 LEU H H 8.175 0.03 1 642 193 78 LEU HA H 3.742 0.03 1 643 193 78 LEU HB2 H 1.65 0.03 2 644 193 78 LEU HB3 H 1.358 0.03 2 645 193 78 LEU HG H 1.593 0.03 1 646 193 78 LEU HD1 H 0.773 0.03 2 647 193 78 LEU HD2 H 0.858 0.03 2 648 193 78 LEU C C 178.977 0.1 1 649 193 78 LEU CA C 58.417 0.1 1 650 193 78 LEU CB C 41.985 0.1 1 651 193 78 LEU CG C 26.905 0.1 1 652 193 78 LEU CD1 C 24.856 0.1 2 653 193 78 LEU CD2 C 24.758 0.1 2 654 193 78 LEU N N 118.563 0.3 1 655 194 79 GLU H H 7.964 0.03 1 656 194 79 GLU HA H 3.936 0.03 1 657 194 79 GLU HB2 H 2.024 0.03 1 658 194 79 GLU HB3 H 2.024 0.03 1 659 194 79 GLU HG2 H 2.384 0.03 2 660 194 79 GLU HG3 H 1.984 0.03 2 661 194 79 GLU C C 179.888 0.1 1 662 194 79 GLU CA C 59.387 0.1 1 663 194 79 GLU CB C 28.882 0.1 1 664 194 79 GLU CG C 32.923 0.1 1 665 194 79 GLU N N 118.485 0.3 1 666 195 80 LYS H H 7.731 0.03 1 667 195 80 LYS HA H 3.996 0.03 1 668 195 80 LYS HB2 H 1.733 0.03 2 669 195 80 LYS HB3 H 1.876 0.03 2 670 195 80 LYS HG2 H 1.379 0.03 2 671 195 80 LYS HG3 H 1.614 0.03 2 672 195 80 LYS HD2 H 1.494 0.03 2 673 195 80 LYS HD3 H 1.577 0.03 2 674 195 80 LYS HE2 H 2.823 0.03 2 675 195 80 LYS HE3 H 2.961 0.03 2 676 195 80 LYS C C 178.883 0.1 1 677 195 80 LYS CA C 59.165 0.1 1 678 195 80 LYS CB C 32.701 0.1 1 679 195 80 LYS CG C 25.479 0.1 1 680 195 80 LYS CD C 29.62 0.1 1 681 195 80 LYS CE C 42.121 0.1 1 682 195 80 LYS N N 118.446 0.3 1 683 196 81 LEU H H 7.84 0.03 1 684 196 81 LEU HA H 4.016 0.03 1 685 196 81 LEU HB2 H 1.787 0.03 2 686 196 81 LEU HB3 H 1.373 0.03 2 687 196 81 LEU HG H 1.926 0.03 1 688 196 81 LEU HD1 H 0.617 0.03 2 689 196 81 LEU HD2 H 0.775 0.03 2 690 196 81 LEU C C 177.147 0.1 1 691 196 81 LEU CA C 56.528 0.1 1 692 196 81 LEU CB C 42.752 0.1 1 693 196 81 LEU CG C 26.907 0.1 1 694 196 81 LEU CD1 C 23.438 0.1 2 695 196 81 LEU CD2 C 25.865 0.1 2 696 196 81 LEU N N 117.315 0.3 1 697 197 82 GLN H H 7.641 0.03 1 698 197 82 GLN HA H 4.29 0.03 1 699 197 82 GLN HG2 H 2.377 0.03 2 700 197 82 GLN HG3 H 2.246 0.03 2 701 197 82 GLN C C 175.977 0.1 1 702 197 82 GLN CA C 56.016 0.1 1 703 197 82 GLN CB C 29.491 0.1 1 704 197 82 GLN CG C 34.076 0.1 1 705 197 82 GLN N N 115.899 0.3 1 706 198 83 SER HA H 4.347 0.03 1 707 198 83 SER HB2 H 3.859 0.03 1 708 198 83 SER HB3 H 3.859 0.03 1 709 198 83 SER HG H 3.858 0.03 1 710 198 83 SER CA C 58.504 0.1 1 711 198 83 SER CB C 64.003 0.1 1 712 199 84 HIS H H 7.979 0.03 1 713 199 84 HIS HA H 4.386 0.03 1 714 199 84 HIS HB2 H 2.961 0.03 2 715 199 84 HIS HB3 H 3.098 0.03 2 716 199 84 HIS C C 179.86 0.1 1 717 199 84 HIS CA C 57.689 0.1 1 718 199 84 HIS CB C 31.085 0.1 1 719 199 84 HIS N N 126.531 0.3 1 stop_ save_