data_10236 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode ; _BMRB_accession_number 10236 _BMRB_flat_file_name bmr10236.str _Entry_type new _Submission_date 2008-08-22 _Accession_date 2008-08-22 _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 Li H. . . 2 Koshiba S. . . 3 Tochio N. . . 4 Watanabe S. . . 5 Harada T. . . 6 Inoue M. . . 7 Kigawa T. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 919 "13C chemical shifts" 552 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-19 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode ; _Citation_status Published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18650440 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Koshiba S. . . 3 Hayashi F. . . 4 Tochio N. . . 5 Tomozawa T. . . 6 Kasai T. . . 7 Yabuki T. . . 8 Motoda Y. . . 9 Harada T. . . 10 Watanabe S. . . 11 Inoue M. . . 12 Hayashizaki Y. . . 13 Tanaka A. . . 14 Kigawa T. . . 15 Yokoyama S. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 283 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27165 _Page_last 27178 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'peptide from Amyloid beta A4 protein, Amyloid beta A4 precursor protein-binding family B member 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'peptide from Amyloid beta A4 protein' $entity_1 'C-terminal PID Domain' $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'peptide from Amyloid beta A4 protein' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; DAAVTPEERHLSKMQQNGYE NPTYKFFEQMQN ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 ALA 3 ALA 4 VAL 5 THR 6 PRO 7 GLU 8 GLU 9 ARG 10 HIS 11 LEU 12 SER 13 LYS 14 MET 15 GLN 16 GLN 17 ASN 18 GLY 19 TYR 20 GLU 21 ASN 22 PRO 23 THR 24 TYR 25 LYS 26 PHE 27 PHE 28 GLU 29 GLN 30 MET 31 GLN 32 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 10237 "PID domain and APP peptide" 100.00 185 100.00 100.00 4.17e-14 BMRB 10238 "APP peptide and PID domain" 100.00 176 100.00 100.00 4.23e-14 BMRB 10239 "APP peptide and PID domain" 100.00 185 100.00 100.00 4.17e-14 BMRB 15775 APP_C99 100.00 122 100.00 100.00 7.47e-15 PDB 2LP1 "The Solution Nmr Structure Of The Transmembrane C-Terminal Domain Of The Amyloid Precursor Protein (C99)" 100.00 122 100.00 100.00 7.47e-15 PDB 2ROZ "Structure Of The C-Terminal Pid Domain Of Fe65l1 Complexed With The Cytoplasmic Tail Of App Reveals A Novel Peptide Binding Mod" 100.00 32 100.00 100.00 2.44e-14 PDB 2YSZ "Solution Structure Of The Chimera Of The C-Terminal Pid Domain Of Fe65l And The C-Terminal Tail Peptide Of App" 100.00 185 100.00 100.00 4.17e-14 PDB 2YT0 "Solution Structure Of The Chimera Of The C-Terminal Tail Peptide Of App And The C-Terminal Pid Domain Of Fe65l" 100.00 176 100.00 100.00 4.23e-14 PDB 2YT1 "Solution Structure Of The Chimera Of The C-Terminal Tail Peptide Of App And The C-Terminal Pid Domain Of Fe65l" 100.00 185 100.00 100.00 4.17e-14 PDB 3DXC "Crystal Structure Of The Intracellular Domain Of Human App In Complex With Fe65-Ptb2" 100.00 35 100.00 100.00 2.08e-14 DBJ BAA22264 "amyloid precursor protein [Homo sapiens]" 100.00 770 100.00 100.00 7.92e-13 DBJ BAA24230 "EL amyloid precursor protein 699 [Narke japonica]" 100.00 699 100.00 100.00 7.68e-13 DBJ BAA84580 "amyloid precursor protein [Sus scrofa]" 100.00 770 100.00 100.00 7.76e-13 DBJ BAC34997 "unnamed protein product [Mus musculus]" 100.00 218 100.00 100.00 5.93e-14 DBJ BAC36369 "unnamed protein product [Mus musculus]" 100.00 384 100.00 100.00 2.48e-13 EMBL CAA30050 "amyloid A4 protein [Homo sapiens]" 100.00 751 100.00 100.00 8.49e-13 EMBL CAA30488 "unnamed protein product [Rattus rattus]" 100.00 695 100.00 100.00 6.68e-13 EMBL CAA31830 "A4 amyloid protein precursor [Homo sapiens]" 100.00 695 100.00 100.00 7.01e-13 EMBL CAA66230 "putative amyloid precursor protein [Cavia sp.]" 100.00 695 100.00 100.00 7.15e-13 EMBL CAA68374 "unnamed protein product [Homo sapiens]" 100.00 695 100.00 100.00 7.01e-13 GB AAA36829 "amyloid b-protein precursor [Macaca fascicularis]" 100.00 695 100.00 100.00 7.01e-13 GB AAA37139 "beta-amyloid protein [Mus musculus]" 100.00 695 100.00 100.00 6.55e-13 GB AAA51722 "amyloid beta-protein precursor, partial [Homo sapiens]" 100.00 412 100.00 100.00 2.85e-13 GB AAA51726 "beta-amyloid A4, partial [Homo sapiens]" 100.00 264 100.00 100.00 6.93e-14 GB AAB41502 "hippocampal amyloid precursor protein [Mus musculus]" 100.00 695 100.00 100.00 6.68e-13 PRF 1303338A "amyloid A4 protein precursor" 100.00 695 100.00 100.00 7.01e-13 PRF 1403400A "amyloid protein A4" 100.00 751 100.00 100.00 8.49e-13 PRF 1507304A "beta amyloid peptide precursor" 100.00 412 100.00 100.00 2.94e-13 PRF 1507304B "beta amyloid peptide precursor" 100.00 574 100.00 100.00 4.63e-13 PRF 1507304C "beta amyloid peptide precursor" 100.00 165 100.00 100.00 4.58e-14 REF NP_000475 "amyloid beta A4 protein isoform a precursor [Homo sapiens]" 100.00 770 100.00 100.00 7.92e-13 REF NP_001006601 "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" 100.00 770 100.00 100.00 7.26e-13 REF NP_001013036 "amyloid beta A4 protein precursor [Pan troglodytes]" 100.00 770 100.00 100.00 7.99e-13 REF NP_001070264 "amyloid beta A4 protein precursor [Bos taurus]" 100.00 695 100.00 100.00 6.48e-13 REF NP_001127014 "amyloid beta A4 protein precursor [Pongo abelii]" 100.00 695 100.00 100.00 7.15e-13 SP O73683 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 100.00 780 100.00 100.00 9.14e-13 SP P05067 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" 100.00 770 100.00 100.00 7.92e-13 SP P08592 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 100.00 770 100.00 100.00 7.99e-13 SP P12023 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 100.00 770 100.00 100.00 7.99e-13 SP P53601 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 100.00 770 100.00 100.00 8.07e-13 TPG DAA33655 "TPA: amyloid beta A4 protein [Bos taurus]" 100.00 695 100.00 100.00 6.48e-13 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C-terminal PID Domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 136 _Mol_residue_sequence ; GSSGSSGPTPKTELVQKFRV QYLGMLPVDRPVGMDTLNSA IENLMTSSSKEDWPSVNMNV ADATVTVISEKNEEEVLVEC RVRFLSFMGVGKDVHTFAFI MDTGNQRFECHVFWCEPNAA NVSEAVQAACSGPSSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 56 GLY 2 57 SER 3 58 SER 4 59 GLY 5 60 SER 6 61 SER 7 62 GLY 8 63 PRO 9 64 THR 10 65 PRO 11 66 LYS 12 67 THR 13 68 GLU 14 69 LEU 15 70 VAL 16 71 GLN 17 72 LYS 18 73 PHE 19 74 ARG 20 75 VAL 21 76 GLN 22 77 TYR 23 78 LEU 24 79 GLY 25 80 MET 26 81 LEU 27 82 PRO 28 83 VAL 29 84 ASP 30 85 ARG 31 86 PRO 32 87 VAL 33 88 GLY 34 89 MET 35 90 ASP 36 91 THR 37 92 LEU 38 93 ASN 39 94 SER 40 95 ALA 41 96 ILE 42 97 GLU 43 98 ASN 44 99 LEU 45 100 MET 46 101 THR 47 102 SER 48 103 SER 49 104 SER 50 105 LYS 51 106 GLU 52 107 ASP 53 108 TRP 54 109 PRO 55 110 SER 56 111 VAL 57 112 ASN 58 113 MET 59 114 ASN 60 115 VAL 61 116 ALA 62 117 ASP 63 118 ALA 64 119 THR 65 120 VAL 66 121 THR 67 122 VAL 68 123 ILE 69 124 SER 70 125 GLU 71 126 LYS 72 127 ASN 73 128 GLU 74 129 GLU 75 130 GLU 76 131 VAL 77 132 LEU 78 133 VAL 79 134 GLU 80 135 CYS 81 136 ARG 82 137 VAL 83 138 ARG 84 139 PHE 85 140 LEU 86 141 SER 87 142 PHE 88 143 MET 89 144 GLY 90 145 VAL 91 146 GLY 92 147 LYS 93 148 ASP 94 149 VAL 95 150 HIS 96 151 THR 97 152 PHE 98 153 ALA 99 154 PHE 100 155 ILE 101 156 MET 102 157 ASP 103 158 THR 104 159 GLY 105 160 ASN 106 161 GLN 107 162 ARG 108 163 PHE 109 164 GLU 110 165 CYS 111 166 HIS 112 167 VAL 113 168 PHE 114 169 TRP 115 170 CYS 116 171 GLU 117 172 PRO 118 173 ASN 119 174 ALA 120 175 ALA 121 176 ASN 122 177 VAL 123 178 SER 124 179 GLU 125 180 ALA 126 181 VAL 127 182 GLN 128 183 ALA 129 184 ALA 130 185 CYS 131 186 SER 132 187 GLY 133 188 PRO 134 189 SER 135 190 SER 136 191 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 10235 "Phosphotyrosine-Interaction Domain" 100.00 136 100.00 100.00 4.03e-95 BMRB 10237 "PID domain and APP peptide" 100.00 185 100.00 100.00 3.90e-95 BMRB 10238 "APP peptide and PID domain" 95.59 176 100.00 100.00 7.07e-91 BMRB 10239 "APP peptide and PID domain" 95.59 185 100.00 100.00 9.34e-91 PDB 1WGU "Solution Structure Of The C-Terminal Phosphotyrosine Interaction Domain Of Apbb2 From Mouse" 100.00 136 100.00 100.00 4.03e-95 PDB 2ROZ "Structure Of The C-Terminal Pid Domain Of Fe65l1 Complexed With The Cytoplasmic Tail Of App Reveals A Novel Peptide Binding Mod" 100.00 136 100.00 100.00 4.03e-95 PDB 2YSZ "Solution Structure Of The Chimera Of The C-Terminal Pid Domain Of Fe65l And The C-Terminal Tail Peptide Of App" 100.00 185 100.00 100.00 3.90e-95 PDB 2YT0 "Solution Structure Of The Chimera Of The C-Terminal Tail Peptide Of App And The C-Terminal Pid Domain Of Fe65l" 95.59 176 100.00 100.00 7.07e-91 PDB 2YT1 "Solution Structure Of The Chimera Of The C-Terminal Tail Peptide Of App And The C-Terminal Pid Domain Of Fe65l" 95.59 185 100.00 100.00 9.34e-91 DBJ BAB23568 "unnamed protein product [Mus musculus]" 90.44 760 100.00 100.00 9.36e-80 DBJ BAE31851 "unnamed protein product [Mus musculus]" 90.44 738 100.00 100.00 4.38e-80 DBJ BAE39700 "unnamed protein product [Mus musculus]" 90.44 758 100.00 100.00 8.60e-80 DBJ BAE41482 "unnamed protein product [Mus musculus]" 90.44 736 100.00 100.00 4.90e-80 DBJ BAE42990 "unnamed protein product [Mus musculus]" 90.44 210 100.00 100.00 1.25e-85 GB AAD55360 "FE65-like protein [Mus musculus]" 61.03 141 97.59 98.80 1.52e-52 GB AAH76587 "Apbb2 protein [Mus musculus]" 90.44 737 100.00 100.00 4.39e-80 GB EDL37768 "amyloid beta (A4) precursor protein-binding, family B, member 2, isoform CRA_a [Mus musculus]" 90.44 731 100.00 100.00 4.84e-80 GB EDL90042 "similar to amyloid beta (A4) precursor protein-binding, family B, member 2 (predicted) [Rattus norvegicus]" 90.44 731 97.56 99.19 1.72e-78 GB EGW02447 "Amyloid beta A4 precursor protein-binding family B member 2 [Cricetulus griseus]" 90.44 468 97.56 99.19 1.35e-79 REF NP_001188342 "amyloid beta A4 precursor protein-binding family B member 2 isoform 2 [Mus musculus]" 90.44 758 100.00 100.00 8.60e-80 REF NP_001188343 "amyloid beta A4 precursor protein-binding family B member 2 isoform 3 [Mus musculus]" 90.44 738 100.00 100.00 4.29e-80 REF NP_001188344 "amyloid beta A4 precursor protein-binding family B member 2 isoform 4 [Mus musculus]" 90.44 737 100.00 100.00 4.39e-80 REF NP_001188345 "amyloid beta A4 precursor protein-binding family B member 2 isoform 5 [Mus musculus]" 90.44 210 100.00 100.00 1.25e-85 REF NP_033816 "amyloid beta A4 precursor protein-binding family B member 2 isoform 1 [Mus musculus]" 90.44 760 100.00 100.00 9.36e-80 SP Q9DBR4 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 2 [Mus musculus]" 90.44 760 100.00 100.00 9.36e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus $entity_2 mouse 10090 Eukaryota Metazoa Mus musculus 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 $entity_1 'chemical synthesis' . . . . . $entity_2 'recombinant technology' . . . . . 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 $entity_2 0.37 mM '[U-13C; U-15N]' $entity_1 0.37 mM 'natural abundance' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.8 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_13C,15N_F1-FILTERED_13C_F3-EDITED_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N F1-FILTERED 13C F3-EDITED NOESY' _Sample_label $sample_1 save_ save_3D_13C,15N_F1-FILTERED_15N_F3-EDITED_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N F1-FILTERED 15N F3-EDITED NOESY' _Sample_label $sample_1 save_ save_2D_F2_13C,15N-_FILTERED_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F2 13C,15N- FILTERED NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.120 0.1 M pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 13C,15N F1-FILTERED 13C F3-EDITED NOESY' '3D 13C,15N F1-FILTERED 15N F3-EDITED NOESY' '2D F2 13C,15N- FILTERED NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'peptide from Amyloid beta A4 protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ASP HB2 H 2.652 0.030 2 2 1 1 ASP HB3 H 2.533 0.030 2 3 2 2 ALA H H 8.056 0.030 1 4 2 2 ALA HA H 4.330 0.030 1 5 3 3 ALA H H 8.369 0.030 1 6 3 3 ALA HA H 4.328 0.030 1 7 3 3 ALA HB H 1.353 0.030 1 8 4 4 VAL H H 8.188 0.030 1 9 4 4 VAL HA H 4.284 0.030 1 10 4 4 VAL HB H 2.069 0.030 1 11 4 4 VAL HG1 H 0.945 0.030 1 12 4 4 VAL HG2 H 0.932 0.030 1 13 5 5 THR H H 8.480 0.030 1 14 5 5 THR HA H 4.682 0.030 1 15 5 5 THR HB H 4.682 0.030 1 16 5 5 THR HG2 H 1.343 0.030 1 17 6 6 PRO HA H 4.194 0.030 1 18 6 6 PRO HB2 H 2.357 0.030 2 19 6 6 PRO HB3 H 1.959 0.030 2 20 6 6 PRO HD2 H 3.918 0.030 1 21 6 6 PRO HD3 H 3.918 0.030 1 22 6 6 PRO HG2 H 2.212 0.030 1 23 6 6 PRO HG3 H 2.212 0.030 1 24 7 7 GLU H H 8.560 0.030 1 25 7 7 GLU HA H 4.054 0.030 1 26 7 7 GLU HB2 H 2.097 0.030 2 27 7 7 GLU HB3 H 1.818 0.030 2 28 7 7 GLU HG2 H 2.126 0.030 1 29 7 7 GLU HG3 H 2.126 0.030 1 30 8 8 GLU H H 7.815 0.030 1 31 8 8 GLU HA H 3.918 0.030 1 32 8 8 GLU HB2 H 2.008 0.030 2 33 8 8 GLU HB3 H 2.257 0.030 2 34 8 8 GLU HG2 H 2.326 0.030 1 35 8 8 GLU HG3 H 2.326 0.030 1 36 9 9 ARG H H 8.383 0.030 1 37 9 9 ARG HA H 4.008 0.030 1 38 9 9 ARG HB2 H 1.882 0.030 1 39 9 9 ARG HB3 H 1.882 0.030 1 40 9 9 ARG HD2 H 3.175 0.030 2 41 9 9 ARG HD3 H 3.239 0.030 2 42 9 9 ARG HG2 H 1.596 0.030 2 43 9 9 ARG HG3 H 1.713 0.030 2 44 10 10 HIS H H 8.220 0.030 1 45 10 10 HIS HA H 4.276 0.030 1 46 10 10 HIS HB2 H 3.135 0.030 1 47 10 10 HIS HB3 H 3.135 0.030 1 48 10 10 HIS HD2 H 6.418 0.030 1 49 10 10 HIS HE1 H 7.431 0.030 1 50 11 11 LEU H H 8.439 0.030 1 51 11 11 LEU HA H 3.578 0.030 1 52 11 11 LEU HB2 H 1.868 0.030 2 53 11 11 LEU HB3 H 1.318 0.030 2 54 11 11 LEU HD1 H 0.744 0.030 1 55 11 11 LEU HD2 H 0.710 0.030 1 56 11 11 LEU HG H 1.673 0.030 1 57 12 12 SER H H 8.111 0.030 1 58 12 12 SER HA H 4.328 0.030 1 59 12 12 SER HB2 H 3.972 0.030 1 60 12 12 SER HB3 H 3.972 0.030 1 61 13 13 LYS H H 7.720 0.030 1 62 13 13 LYS HA H 4.176 0.030 1 63 13 13 LYS HB2 H 1.979 0.030 2 64 13 13 LYS HB3 H 1.931 0.030 2 65 13 13 LYS HD2 H 1.747 0.030 1 66 13 13 LYS HD3 H 1.747 0.030 1 67 13 13 LYS HE2 H 3.003 0.030 1 68 13 13 LYS HE3 H 3.003 0.030 1 69 13 13 LYS HG2 H 1.498 0.030 2 70 13 13 LYS HG3 H 1.642 0.030 2 71 14 14 MET H H 8.164 0.030 1 72 14 14 MET HA H 4.124 0.030 1 73 14 14 MET HB2 H 1.618 0.030 2 74 14 14 MET HB3 H 2.172 0.030 2 75 14 14 MET HE H 1.855 0.030 1 76 14 14 MET HG2 H 2.330 0.030 2 77 14 14 MET HG3 H 1.943 0.030 2 78 15 15 GLN H H 8.118 0.030 1 79 15 15 GLN HA H 4.875 0.030 1 80 15 15 GLN HB2 H 1.848 0.030 2 81 15 15 GLN HB3 H 2.224 0.030 2 82 15 15 GLN HE21 H 6.173 0.030 2 83 15 15 GLN HE22 H 8.246 0.030 2 84 15 15 GLN HG2 H 2.348 0.030 2 85 15 15 GLN HG3 H 2.179 0.030 2 86 16 16 GLN H H 7.285 0.030 1 87 16 16 GLN HA H 4.204 0.030 1 88 16 16 GLN HB2 H 2.100 0.030 2 89 16 16 GLN HB3 H 1.965 0.030 2 90 16 16 GLN HE21 H 7.430 0.030 2 91 16 16 GLN HE22 H 6.820 0.030 2 92 16 16 GLN HG2 H 2.318 0.030 2 93 16 16 GLN HG3 H 2.546 0.030 2 94 17 17 ASN H H 8.289 0.030 1 95 17 17 ASN HA H 5.032 0.030 1 96 17 17 ASN HB2 H 3.000 0.030 2 97 17 17 ASN HB3 H 2.812 0.030 2 98 17 17 ASN HD21 H 7.044 0.030 2 99 17 17 ASN HD22 H 7.625 0.030 2 100 18 18 GLY H H 7.858 0.030 1 101 18 18 GLY HA2 H 4.266 0.030 2 102 18 18 GLY HA3 H 3.984 0.030 2 103 19 19 TYR H H 8.019 0.030 1 104 19 19 TYR HA H 4.663 0.030 1 105 19 19 TYR HB2 H 2.678 0.030 2 106 19 19 TYR HB3 H 2.456 0.030 2 107 19 19 TYR HD1 H 7.001 0.030 1 108 19 19 TYR HD2 H 7.001 0.030 1 109 19 19 TYR HE1 H 6.768 0.030 1 110 19 19 TYR HE2 H 6.768 0.030 1 111 20 20 GLU H H 8.243 0.030 1 112 20 20 GLU HA H 4.644 0.030 1 113 20 20 GLU HB2 H 2.068 0.030 2 114 20 20 GLU HB3 H 1.968 0.030 2 115 20 20 GLU HG2 H 2.319 0.030 2 116 20 20 GLU HG3 H 2.578 0.030 2 117 21 21 ASN H H 7.083 0.030 1 118 21 21 ASN HA H 4.469 0.030 1 119 21 21 ASN HB2 H 2.620 0.030 2 120 21 21 ASN HB3 H 3.378 0.030 2 121 21 21 ASN HD21 H 6.080 0.030 2 122 21 21 ASN HD22 H 9.446 0.030 2 123 22 22 PRO HA H 3.816 0.030 1 124 22 22 PRO HB2 H 2.034 0.030 2 125 22 22 PRO HD2 H 4.131 0.030 1 126 22 22 PRO HD3 H 4.131 0.030 1 127 23 23 THR H H 7.908 0.030 1 128 23 23 THR HA H 4.195 0.030 1 129 23 23 THR HB H 4.314 0.030 1 130 23 23 THR HG2 H 1.232 0.030 1 131 24 24 TYR H H 7.016 0.030 1 132 24 24 TYR HA H 4.518 0.030 1 133 24 24 TYR HB2 H 3.364 0.030 2 134 24 24 TYR HB3 H 3.023 0.030 2 135 24 24 TYR HD1 H 7.283 0.030 1 136 24 24 TYR HD2 H 7.283 0.030 1 137 24 24 TYR HE1 H 6.968 0.030 1 138 24 24 TYR HE2 H 6.968 0.030 1 139 25 25 LYS H H 8.103 0.030 1 140 25 25 LYS HA H 3.828 0.030 1 141 25 25 LYS HB2 H 1.385 0.030 2 142 25 25 LYS HB3 H 1.273 0.030 2 143 25 25 LYS HD2 H 1.449 0.030 1 144 25 25 LYS HD3 H 1.449 0.030 1 145 25 25 LYS HE2 H 2.820 0.030 1 146 25 25 LYS HE3 H 2.820 0.030 1 147 25 25 LYS HG2 H 0.979 0.030 2 148 25 25 LYS HG3 H 0.794 0.030 2 149 26 26 PHE H H 7.278 0.030 1 150 26 26 PHE HA H 4.552 0.030 1 151 26 26 PHE HB2 H 3.171 0.030 2 152 26 26 PHE HB3 H 2.803 0.030 2 153 26 26 PHE HD1 H 7.106 0.030 1 154 26 26 PHE HD2 H 7.106 0.030 1 155 26 26 PHE HE1 H 7.319 0.030 1 156 26 26 PHE HE2 H 7.319 0.030 1 157 27 27 PHE H H 7.746 0.030 1 158 27 27 PHE HA H 4.381 0.030 1 159 27 27 PHE HB2 H 3.118 0.030 2 160 27 27 PHE HB3 H 2.968 0.030 2 161 27 27 PHE HD1 H 7.258 0.030 1 162 27 27 PHE HD2 H 7.258 0.030 1 163 27 27 PHE HE1 H 7.283 0.030 1 164 27 27 PHE HE2 H 7.283 0.030 1 165 28 28 GLU H H 8.203 0.030 1 166 28 28 GLU HA H 4.222 0.030 1 167 28 28 GLU HB2 H 2.104 0.030 1 168 28 28 GLU HB3 H 2.104 0.030 1 169 28 28 GLU HG2 H 2.408 0.030 2 170 28 28 GLU HG3 H 2.558 0.030 2 171 29 29 GLN HA H 4.232 0.030 1 172 29 29 GLN HB2 H 2.101 0.030 2 173 29 29 GLN HB3 H 1.976 0.030 2 174 29 29 GLN HE21 H 7.568 0.030 2 175 29 29 GLN HE22 H 6.844 0.030 2 176 29 29 GLN HG2 H 2.355 0.030 1 177 29 29 GLN HG3 H 2.355 0.030 1 178 30 30 MET H H 8.040 0.030 1 179 30 30 MET HA H 4.044 0.030 1 180 30 30 MET HB2 H 1.968 0.030 2 181 30 30 MET HB3 H 2.103 0.030 2 182 30 30 MET HE H 1.800 0.030 1 183 30 30 MET HG2 H 2.352 0.030 1 184 30 30 MET HG3 H 2.352 0.030 1 185 31 31 GLN H H 8.248 0.030 1 186 31 31 GLN HE21 H 7.513 0.030 2 187 31 31 GLN HE22 H 6.815 0.030 2 188 31 31 GLN HG2 H 2.322 0.030 1 189 31 31 GLN HG3 H 2.322 0.030 1 stop_ save_ save_chemical_shift_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 13C,15N F1-FILTERED 13C F3-EDITED NOESY' '3D 13C,15N F1-FILTERED 15N F3-EDITED NOESY' '2D F2 13C,15N- FILTERED NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'C-terminal PID Domain' _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 63 8 PRO HA H 4.460 0.030 1 2 63 8 PRO HB2 H 1.886 0.030 2 3 63 8 PRO HB3 H 2.245 0.030 2 4 63 8 PRO HD2 H 3.609 0.030 1 5 63 8 PRO HD3 H 3.609 0.030 1 6 63 8 PRO HG2 H 1.984 0.030 1 7 63 8 PRO HG3 H 1.984 0.030 1 8 63 8 PRO C C 177.111 0.300 1 9 63 8 PRO CA C 63.177 0.300 1 10 63 8 PRO CB C 32.104 0.300 1 11 63 8 PRO CD C 49.856 0.300 1 12 63 8 PRO CG C 27.089 0.300 1 13 64 9 THR H H 8.353 0.030 1 14 64 9 THR HA H 4.540 0.030 1 15 64 9 THR HB H 4.098 0.030 1 16 64 9 THR HG2 H 1.236 0.030 1 17 64 9 THR CA C 59.889 0.300 1 18 64 9 THR CB C 69.757 0.300 1 19 64 9 THR CG2 C 21.560 0.300 1 20 64 9 THR N N 117.904 0.300 1 21 65 10 PRO HA H 4.391 0.030 1 22 65 10 PRO HB2 H 1.867 0.030 2 23 65 10 PRO HB3 H 2.283 0.030 2 24 65 10 PRO HD2 H 3.850 0.030 2 25 65 10 PRO HD3 H 3.668 0.030 2 26 65 10 PRO HG2 H 2.009 0.030 2 27 65 10 PRO HG3 H 1.956 0.030 2 28 65 10 PRO C C 176.796 0.300 1 29 65 10 PRO CA C 63.177 0.300 1 30 65 10 PRO CB C 32.268 0.300 1 31 65 10 PRO CD C 51.144 0.300 1 32 65 10 PRO CG C 27.500 0.300 1 33 66 11 LYS H H 8.479 0.030 1 34 66 11 LYS HA H 4.304 0.030 1 35 66 11 LYS HB2 H 1.818 0.030 2 36 66 11 LYS HB3 H 1.761 0.030 2 37 66 11 LYS HD2 H 1.657 0.030 2 38 66 11 LYS HG2 H 1.438 0.030 2 39 66 11 LYS C C 176.917 0.300 1 40 66 11 LYS CA C 56.272 0.300 1 41 66 11 LYS CB C 32.926 0.300 1 42 66 11 LYS CD C 29.062 0.300 1 43 66 11 LYS CE C 41.968 0.300 1 44 66 11 LYS CG C 24.787 0.300 1 45 66 11 LYS N N 122.224 0.300 1 46 67 12 THR H H 8.160 0.030 1 47 67 12 THR HA H 4.260 0.030 1 48 67 12 THR HB H 4.150 0.030 1 49 67 12 THR HG2 H 1.160 0.030 1 50 67 12 THR C C 174.398 0.300 1 51 67 12 THR CA C 61.698 0.300 1 52 67 12 THR CB C 69.688 0.300 1 53 67 12 THR CG2 C 21.664 0.300 1 54 67 12 THR N N 115.677 0.300 1 55 68 13 GLU H H 8.418 0.030 1 56 68 13 GLU HA H 4.300 0.030 1 57 68 13 GLU HB2 H 1.868 0.030 2 58 68 13 GLU HB3 H 2.022 0.030 2 59 68 13 GLU HG2 H 2.228 0.030 1 60 68 13 GLU HG3 H 2.228 0.030 1 61 68 13 GLU C C 175.948 0.300 1 62 68 13 GLU CA C 56.443 0.300 1 63 68 13 GLU CB C 30.373 0.300 1 64 68 13 GLU CG C 36.049 0.300 1 65 68 13 GLU N N 123.472 0.300 1 66 69 14 LEU H H 8.257 0.030 1 67 69 14 LEU HA H 4.317 0.030 1 68 69 14 LEU HB2 H 1.578 0.030 1 69 69 14 LEU HB3 H 1.578 0.030 1 70 69 14 LEU HD1 H 0.872 0.030 1 71 69 14 LEU HD2 H 0.815 0.030 1 72 69 14 LEU HG H 1.530 0.030 1 73 69 14 LEU C C 176.578 0.300 1 74 69 14 LEU CA C 55.121 0.300 1 75 69 14 LEU CB C 42.317 0.300 1 76 69 14 LEU CD1 C 24.870 0.300 2 77 69 14 LEU CD2 C 23.717 0.300 2 78 69 14 LEU CG C 27.089 0.300 1 79 69 14 LEU N N 123.785 0.300 1 80 70 15 VAL H H 8.050 0.030 1 81 70 15 VAL HA H 4.241 0.030 1 82 70 15 VAL HB H 1.889 0.030 1 83 70 15 VAL HG1 H 0.726 0.030 1 84 70 15 VAL HG2 H 0.837 0.030 1 85 70 15 VAL C C 175.512 0.300 1 86 70 15 VAL CA C 61.780 0.300 1 87 70 15 VAL CB C 33.402 0.300 1 88 70 15 VAL CG1 C 21.006 0.300 2 89 70 15 VAL CG2 C 21.006 0.300 2 90 70 15 VAL N N 122.571 0.300 1 91 71 16 GLN H H 8.298 0.030 1 92 71 16 GLN HA H 4.322 0.030 1 93 71 16 GLN HB2 H 1.878 0.030 1 94 71 16 GLN HB3 H 1.878 0.030 1 95 71 16 GLN HE21 H 6.921 0.030 2 96 71 16 GLN HE22 H 7.494 0.030 2 97 71 16 GLN HG2 H 2.118 0.030 2 98 71 16 GLN HG3 H 2.249 0.030 2 99 71 16 GLN C C 173.357 0.300 1 100 71 16 GLN CA C 55.257 0.300 1 101 71 16 GLN CB C 31.551 0.300 1 102 71 16 GLN CG C 34.420 0.300 1 103 71 16 GLN N N 125.313 0.300 1 104 71 16 GLN NE2 N 111.668 0.300 1 105 72 17 LYS H H 7.748 0.030 1 106 72 17 LYS HA H 5.089 0.030 1 107 72 17 LYS HB2 H 1.515 0.030 2 108 72 17 LYS HB3 H 1.435 0.030 2 109 72 17 LYS HD2 H 1.499 0.030 1 110 72 17 LYS HD3 H 1.499 0.030 1 111 72 17 LYS HE2 H 2.791 0.030 1 112 72 17 LYS HE3 H 2.791 0.030 1 113 72 17 LYS HG2 H 1.168 0.030 2 114 72 17 LYS HG3 H 1.096 0.030 2 115 72 17 LYS C C 175.198 0.300 1 116 72 17 LYS CA C 55.106 0.300 1 117 72 17 LYS CB C 35.063 0.300 1 118 72 17 LYS CD C 29.510 0.300 1 119 72 17 LYS CE C 41.804 0.300 1 120 72 17 LYS CG C 24.705 0.300 1 121 72 17 LYS N N 122.892 0.300 1 122 73 18 PHE H H 8.912 0.030 1 123 73 18 PHE HA H 4.716 0.030 1 124 73 18 PHE HB2 H 3.052 0.030 2 125 73 18 PHE HB3 H 2.614 0.030 2 126 73 18 PHE HD1 H 7.077 0.030 1 127 73 18 PHE HD2 H 7.077 0.030 1 128 73 18 PHE HE1 H 6.888 0.030 1 129 73 18 PHE HE2 H 6.888 0.030 1 130 73 18 PHE C C 174.325 0.300 1 131 73 18 PHE CA C 56.354 0.300 1 132 73 18 PHE CB C 42.544 0.300 1 133 73 18 PHE CD1 C 132.402 0.300 1 134 73 18 PHE CD2 C 132.402 0.300 1 135 73 18 PHE CE1 C 130.161 0.300 1 136 73 18 PHE CE2 C 130.161 0.300 1 137 73 18 PHE N N 122.498 0.300 1 138 74 19 ARG H H 8.873 0.030 1 139 74 19 ARG HA H 5.295 0.030 1 140 74 19 ARG HB2 H 2.001 0.030 2 141 74 19 ARG HB3 H 1.806 0.030 2 142 74 19 ARG HD2 H 3.253 0.030 1 143 74 19 ARG HD3 H 3.253 0.030 1 144 74 19 ARG HE H 7.819 0.030 1 145 74 19 ARG HG2 H 1.638 0.030 1 146 74 19 ARG HG3 H 1.638 0.030 1 147 74 19 ARG C C 176.457 0.300 1 148 74 19 ARG CA C 56.175 0.300 1 149 74 19 ARG CB C 30.110 0.300 1 150 74 19 ARG CD C 43.201 0.300 1 151 74 19 ARG CG C 27.480 0.300 1 152 74 19 ARG N N 126.869 0.300 1 153 74 19 ARG NE N 85.527 0.300 1 154 75 20 VAL H H 8.899 0.030 1 155 75 20 VAL HA H 5.319 0.030 1 156 75 20 VAL HB H 2.813 0.030 1 157 75 20 VAL HG1 H 1.005 0.030 1 158 75 20 VAL HG2 H 0.804 0.030 1 159 75 20 VAL C C 174.737 0.300 1 160 75 20 VAL CA C 59.483 0.300 1 161 75 20 VAL CB C 36.184 0.300 1 162 75 20 VAL CG1 C 24.049 0.300 2 163 75 20 VAL CG2 C 20.102 0.300 2 164 75 20 VAL N N 120.661 0.300 1 165 76 21 GLN H H 9.113 0.030 1 166 76 21 GLN HA H 5.782 0.030 1 167 76 21 GLN HB2 H 2.484 0.030 2 168 76 21 GLN HB3 H 2.268 0.030 2 169 76 21 GLN HE21 H 6.641 0.030 2 170 76 21 GLN HE22 H 8.053 0.030 2 171 76 21 GLN HG2 H 2.522 0.030 1 172 76 21 GLN HG3 H 2.522 0.030 1 173 76 21 GLN C C 175.973 0.300 1 174 76 21 GLN CA C 54.920 0.300 1 175 76 21 GLN CB C 34.323 0.300 1 176 76 21 GLN CG C 36.508 0.300 1 177 76 21 GLN N N 116.487 0.300 1 178 76 21 GLN NE2 N 112.869 0.300 1 179 77 22 TYR H H 8.870 0.030 1 180 77 22 TYR HA H 5.117 0.030 1 181 77 22 TYR HB2 H 2.931 0.030 1 182 77 22 TYR HB3 H 2.931 0.030 1 183 77 22 TYR HD1 H 6.679 0.030 1 184 77 22 TYR HD2 H 6.679 0.030 1 185 77 22 TYR HE1 H 6.539 0.030 1 186 77 22 TYR HE2 H 6.539 0.030 1 187 77 22 TYR C C 173.623 0.300 1 188 77 22 TYR CA C 54.463 0.300 1 189 77 22 TYR CB C 41.311 0.300 1 190 77 22 TYR CD1 C 132.496 0.300 1 191 77 22 TYR CD2 C 132.496 0.300 1 192 77 22 TYR CE1 C 117.981 0.300 1 193 77 22 TYR CE2 C 117.981 0.300 1 194 77 22 TYR N N 123.700 0.300 1 195 78 23 LEU H H 8.356 0.030 1 196 78 23 LEU HA H 3.303 0.030 1 197 78 23 LEU HB2 H 0.898 0.030 2 198 78 23 LEU HB3 H 0.496 0.030 2 199 78 23 LEU HD1 H -0.043 0.030 1 200 78 23 LEU HD2 H -0.009 0.030 1 201 78 23 LEU HG H -0.880 0.030 1 202 78 23 LEU C C 175.658 0.300 1 203 78 23 LEU CA C 58.932 0.300 1 204 78 23 LEU CB C 41.779 0.300 1 205 78 23 LEU CD1 C 25.586 0.300 2 206 78 23 LEU CD2 C 26.507 0.300 2 207 78 23 LEU CG C 30.360 0.300 1 208 78 23 LEU N N 129.909 0.300 1 209 79 24 GLY H H 5.511 0.030 1 210 79 24 GLY HA2 H 4.028 0.030 2 211 79 24 GLY HA3 H 2.289 0.030 2 212 79 24 GLY C C 169.069 0.300 1 213 79 24 GLY CA C 43.323 0.300 1 214 79 24 GLY N N 103.273 0.300 1 215 80 25 MET H H 7.571 0.030 1 216 80 25 MET HA H 5.177 0.030 1 217 80 25 MET HB2 H 1.417 0.030 2 218 80 25 MET HB3 H 1.339 0.030 2 219 80 25 MET HE H 1.876 0.030 1 220 80 25 MET HG2 H 1.622 0.030 2 221 80 25 MET HG3 H 1.964 0.030 2 222 80 25 MET C C 175.585 0.300 1 223 80 25 MET CA C 52.133 0.300 1 224 80 25 MET CB C 34.022 0.300 1 225 80 25 MET CE C 17.497 0.300 1 226 80 25 MET CG C 32.102 0.300 1 227 80 25 MET N N 116.984 0.300 1 228 81 26 LEU H H 8.559 0.030 1 229 81 26 LEU HA H 4.772 0.030 1 230 81 26 LEU HB2 H 1.438 0.030 2 231 81 26 LEU HB3 H 1.104 0.030 2 232 81 26 LEU HD1 H 0.893 0.030 1 233 81 26 LEU HD2 H 0.902 0.030 1 234 81 26 LEU HG H 1.538 0.030 1 235 81 26 LEU CA C 51.833 0.300 1 236 81 26 LEU CB C 46.653 0.300 1 237 81 26 LEU CD1 C 24.814 0.300 2 238 81 26 LEU CD2 C 25.995 0.300 2 239 81 26 LEU CG C 26.516 0.300 1 240 81 26 LEU N N 125.808 0.300 1 241 82 27 PRO HA H 4.954 0.030 1 242 82 27 PRO HB2 H 2.339 0.030 2 243 82 27 PRO HB3 H 1.895 0.030 2 244 82 27 PRO HD2 H 3.595 0.030 2 245 82 27 PRO HD3 H 3.760 0.030 2 246 82 27 PRO HG2 H 2.103 0.030 2 247 82 27 PRO HG3 H 1.874 0.030 2 248 82 27 PRO C C 176.699 0.300 1 249 82 27 PRO CA C 62.273 0.300 1 250 82 27 PRO CB C 32.102 0.300 1 251 82 27 PRO CD C 51.179 0.300 1 252 82 27 PRO CG C 27.648 0.300 1 253 83 28 VAL H H 8.008 0.030 1 254 83 28 VAL HA H 4.829 0.030 1 255 83 28 VAL HB H 2.135 0.030 1 256 83 28 VAL HG1 H 0.764 0.030 1 257 83 28 VAL HG2 H 0.666 0.030 1 258 83 28 VAL C C 176.118 0.300 1 259 83 28 VAL CA C 58.903 0.300 1 260 83 28 VAL CB C 36.217 0.300 1 261 83 28 VAL CG1 C 23.143 0.300 2 262 83 28 VAL CG2 C 19.249 0.300 2 263 83 28 VAL N N 112.846 0.300 1 264 84 29 ASP H H 8.496 0.030 1 265 84 29 ASP HA H 4.744 0.030 1 266 84 29 ASP HB2 H 2.742 0.030 1 267 84 29 ASP HB3 H 2.742 0.030 1 268 84 29 ASP C C 175.924 0.300 1 269 84 29 ASP CA C 54.792 0.300 1 270 84 29 ASP CB C 41.823 0.300 1 271 84 29 ASP N N 117.022 0.300 1 272 85 30 ARG H H 7.071 0.030 1 273 85 30 ARG HA H 4.559 0.030 1 274 85 30 ARG HB2 H 1.730 0.030 2 275 85 30 ARG HB3 H 1.647 0.030 2 276 85 30 ARG HD2 H 3.117 0.030 1 277 85 30 ARG HD3 H 3.117 0.030 1 278 85 30 ARG HE H 7.253 0.030 1 279 85 30 ARG HG2 H 1.531 0.030 1 280 85 30 ARG HG3 H 1.531 0.030 1 281 85 30 ARG CA C 52.309 0.300 1 282 85 30 ARG CB C 32.761 0.300 1 283 85 30 ARG CD C 43.219 0.300 1 284 85 30 ARG CG C 26.392 0.300 1 285 85 30 ARG N N 116.738 0.300 1 286 85 30 ARG NE N 85.574 0.300 1 287 86 31 PRO HA H 3.462 0.030 1 288 86 31 PRO HB2 H 1.275 0.030 2 289 86 31 PRO HB3 H 1.422 0.030 2 290 86 31 PRO HD2 H 2.912 0.030 2 291 86 31 PRO HD3 H 3.480 0.030 2 292 86 31 PRO HG2 H 1.822 0.030 2 293 86 31 PRO HG3 H 1.732 0.030 2 294 86 31 PRO C C 176.021 0.300 1 295 86 31 PRO CA C 62.181 0.300 1 296 86 31 PRO CB C 31.610 0.300 1 297 86 31 PRO CD C 49.474 0.300 1 298 86 31 PRO CG C 26.046 0.300 1 299 87 32 VAL H H 6.267 0.030 1 300 87 32 VAL HA H 3.685 0.030 1 301 87 32 VAL HB H 1.606 0.030 1 302 87 32 VAL HG1 H 0.715 0.030 1 303 87 32 VAL HG2 H 0.520 0.030 1 304 87 32 VAL C C 174.156 0.300 1 305 87 32 VAL CA C 58.051 0.300 1 306 87 32 VAL CB C 36.900 0.300 1 307 87 32 VAL CG1 C 21.466 0.300 2 308 87 32 VAL CG2 C 18.362 0.300 2 309 87 32 VAL N N 106.871 0.300 1 310 88 33 GLY H H 3.385 0.030 1 311 88 33 GLY HA2 H 4.229 0.030 2 312 88 33 GLY HA3 H 3.168 0.030 2 313 88 33 GLY C C 173.647 0.300 1 314 88 33 GLY CA C 44.738 0.300 1 315 88 33 GLY N N 105.710 0.300 1 316 89 34 MET H H 8.949 0.030 1 317 89 34 MET HA H 4.748 0.030 1 318 89 34 MET HB2 H 2.037 0.030 1 319 89 34 MET HB3 H 2.037 0.030 1 320 89 34 MET HE H 2.059 0.030 1 321 89 34 MET HG2 H 2.468 0.030 2 322 89 34 MET HG3 H 2.591 0.030 2 323 89 34 MET C C 178.880 0.300 1 324 89 34 MET CA C 55.532 0.300 1 325 89 34 MET CB C 29.300 0.300 1 326 89 34 MET CE C 16.100 0.300 1 327 89 34 MET CG C 32.368 0.300 1 328 89 34 MET N N 125.155 0.300 1 329 90 35 ASP H H 8.948 0.030 1 330 90 35 ASP HA H 4.376 0.030 1 331 90 35 ASP HB2 H 2.698 0.030 2 332 90 35 ASP HB3 H 2.610 0.030 2 333 90 35 ASP C C 179.194 0.300 1 334 90 35 ASP CA C 56.930 0.300 1 335 90 35 ASP CB C 38.523 0.300 1 336 90 35 ASP N N 120.225 0.300 1 337 91 36 THR H H 7.481 0.030 1 338 91 36 THR HA H 3.704 0.030 1 339 91 36 THR HB H 3.802 0.030 1 340 91 36 THR HG2 H 1.066 0.030 1 341 91 36 THR C C 176.409 0.300 1 342 91 36 THR CA C 66.244 0.300 1 343 91 36 THR CB C 68.473 0.300 1 344 91 36 THR CG2 C 21.828 0.300 1 345 91 36 THR N N 119.852 0.300 1 346 92 37 LEU H H 7.930 0.030 1 347 92 37 LEU HA H 3.739 0.030 1 348 92 37 LEU HB2 H 1.859 0.030 2 349 92 37 LEU HB3 H 1.608 0.030 2 350 92 37 LEU HD1 H 0.713 0.030 1 351 92 37 LEU HD2 H 0.596 0.030 1 352 92 37 LEU HG H 1.366 0.030 1 353 92 37 LEU C C 178.443 0.300 1 354 92 37 LEU CA C 58.765 0.300 1 355 92 37 LEU CB C 44.194 0.300 1 356 92 37 LEU CD1 C 26.451 0.300 2 357 92 37 LEU CD2 C 25.600 0.300 2 358 92 37 LEU CG C 26.360 0.300 1 359 92 37 LEU N N 122.219 0.300 1 360 93 38 ASN H H 9.103 0.030 1 361 93 38 ASN HA H 4.549 0.030 1 362 93 38 ASN HB2 H 2.930 0.030 2 363 93 38 ASN HB3 H 2.562 0.030 2 364 93 38 ASN HD21 H 7.688 0.030 2 365 93 38 ASN HD22 H 7.247 0.030 2 366 93 38 ASN C C 178.080 0.300 1 367 93 38 ASN CA C 56.518 0.300 1 368 93 38 ASN CB C 38.007 0.300 1 369 93 38 ASN N N 114.770 0.300 1 370 93 38 ASN ND2 N 112.398 0.300 1 371 94 39 SER H H 7.742 0.030 1 372 94 39 SER HA H 4.191 0.030 1 373 94 39 SER HB2 H 3.959 0.030 2 374 94 39 SER HB3 H 3.910 0.030 2 375 94 39 SER C C 176.530 0.300 1 376 94 39 SER CA C 61.847 0.300 1 377 94 39 SER CB C 62.535 0.300 1 378 94 39 SER N N 114.879 0.300 1 379 95 40 ALA H H 7.205 0.030 1 380 95 40 ALA HA H 4.083 0.030 1 381 95 40 ALA HB H 1.292 0.030 1 382 95 40 ALA C C 178.758 0.300 1 383 95 40 ALA CA C 55.074 0.300 1 384 95 40 ALA CB C 18.544 0.300 1 385 95 40 ALA N N 124.158 0.300 1 386 96 41 ILE H H 8.197 0.030 1 387 96 41 ILE HA H 3.326 0.030 1 388 96 41 ILE HB H 1.945 0.030 1 389 96 41 ILE HD1 H 0.640 0.030 1 390 96 41 ILE HG12 H 1.754 0.030 2 391 96 41 ILE HG13 H 0.727 0.030 2 392 96 41 ILE HG2 H 0.926 0.030 1 393 96 41 ILE C C 177.862 0.300 1 394 96 41 ILE CA C 66.535 0.300 1 395 96 41 ILE CB C 38.949 0.300 1 396 96 41 ILE CD1 C 12.929 0.300 1 397 96 41 ILE CG1 C 28.972 0.300 1 398 96 41 ILE CG2 C 17.708 0.300 1 399 96 41 ILE N N 116.775 0.300 1 400 97 42 GLU H H 8.469 0.030 1 401 97 42 GLU HA H 3.899 0.030 1 402 97 42 GLU HB2 H 2.033 0.030 1 403 97 42 GLU HB3 H 2.033 0.030 1 404 97 42 GLU HG2 H 2.342 0.030 2 405 97 42 GLU HG3 H 2.483 0.030 2 406 97 42 GLU C C 179.485 0.300 1 407 97 42 GLU CA C 59.446 0.300 1 408 97 42 GLU CB C 29.048 0.300 1 409 97 42 GLU CG C 36.781 0.300 1 410 97 42 GLU N N 116.152 0.300 1 411 98 43 ASN H H 7.834 0.030 1 412 98 43 ASN HA H 4.339 0.030 1 413 98 43 ASN HB2 H 2.862 0.030 2 414 98 43 ASN HB3 H 2.780 0.030 2 415 98 43 ASN HD21 H 7.282 0.030 2 416 98 43 ASN HD22 H 6.771 0.030 2 417 98 43 ASN C C 178.661 0.300 1 418 98 43 ASN CA C 56.436 0.300 1 419 98 43 ASN CB C 38.844 0.300 1 420 98 43 ASN N N 118.649 0.300 1 421 98 43 ASN ND2 N 111.703 0.300 1 422 99 44 LEU H H 7.941 0.030 1 423 99 44 LEU HA H 4.081 0.030 1 424 99 44 LEU HB2 H 1.564 0.030 2 425 99 44 LEU HB3 H 0.961 0.030 2 426 99 44 LEU HD1 H 0.233 0.030 1 427 99 44 LEU HD2 H 0.599 0.030 1 428 99 44 LEU HG H 1.528 0.030 1 429 99 44 LEU C C 179.848 0.300 1 430 99 44 LEU CA C 57.882 0.300 1 431 99 44 LEU CB C 41.899 0.300 1 432 99 44 LEU CD1 C 25.395 0.300 2 433 99 44 LEU CD2 C 22.306 0.300 2 434 99 44 LEU CG C 26.925 0.300 1 435 99 44 LEU N N 119.745 0.300 1 436 100 45 MET H H 8.598 0.030 1 437 100 45 MET HA H 4.248 0.030 1 438 100 45 MET HB2 H 2.297 0.030 2 439 100 45 MET HB3 H 2.201 0.030 2 440 100 45 MET HE H 2.340 0.030 1 441 100 45 MET HG2 H 2.461 0.030 2 442 100 45 MET HG3 H 2.761 0.030 2 443 100 45 MET C C 177.305 0.300 1 444 100 45 MET CA C 58.703 0.300 1 445 100 45 MET CB C 33.669 0.300 1 446 100 45 MET CE C 17.079 0.300 1 447 100 45 MET CG C 33.001 0.300 1 448 100 45 MET N N 118.449 0.300 1 449 101 46 THR H H 7.766 0.030 1 450 101 46 THR HA H 4.428 0.030 1 451 101 46 THR HB H 4.429 0.030 1 452 101 46 THR HG2 H 1.346 0.030 1 453 101 46 THR C C 175.730 0.300 1 454 101 46 THR CA C 63.533 0.300 1 455 101 46 THR CB C 69.835 0.300 1 456 101 46 THR CG2 C 21.585 0.300 1 457 101 46 THR N N 108.370 0.300 1 458 102 47 SER H H 7.747 0.030 1 459 102 47 SER HA H 4.553 0.030 1 460 102 47 SER HB2 H 4.057 0.030 2 461 102 47 SER HB3 H 3.956 0.030 2 462 102 47 SER C C 173.453 0.300 1 463 102 47 SER CA C 59.067 0.300 1 464 102 47 SER CB C 64.328 0.300 1 465 102 47 SER N N 115.310 0.300 1 466 103 48 SER H H 7.736 0.030 1 467 103 48 SER HA H 4.714 0.030 1 468 103 48 SER HB2 H 4.118 0.030 1 469 103 48 SER HB3 H 4.118 0.030 1 470 103 48 SER C C 172.170 0.300 1 471 103 48 SER CA C 57.669 0.300 1 472 103 48 SER CB C 65.726 0.300 1 473 103 48 SER N N 114.470 0.300 1 474 104 49 SER H H 8.586 0.030 1 475 104 49 SER HA H 4.401 0.030 1 476 104 49 SER HB2 H 3.630 0.030 2 477 104 49 SER HB3 H 3.594 0.030 2 478 104 49 SER C C 173.453 0.300 1 479 104 49 SER CA C 56.867 0.300 1 480 104 49 SER CB C 65.008 0.300 1 481 104 49 SER N N 115.051 0.300 1 482 105 50 LYS H H 7.634 0.030 1 483 105 50 LYS HA H 1.311 0.030 1 484 105 50 LYS HB2 H 0.885 0.030 2 485 105 50 LYS HB3 H 0.717 0.030 2 486 105 50 LYS HD2 H 1.032 0.030 2 487 105 50 LYS HD3 H 0.919 0.030 2 488 105 50 LYS HE2 H 2.275 0.030 2 489 105 50 LYS HE3 H 2.493 0.030 2 490 105 50 LYS HG2 H 0.580 0.030 2 491 105 50 LYS HG3 H 0.718 0.030 2 492 105 50 LYS C C 177.232 0.300 1 493 105 50 LYS CA C 57.258 0.300 1 494 105 50 LYS CB C 32.098 0.300 1 495 105 50 LYS CD C 29.144 0.300 1 496 105 50 LYS CE C 41.557 0.300 1 497 105 50 LYS CG C 23.719 0.300 1 498 105 50 LYS N N 123.341 0.300 1 499 106 51 GLU H H 7.930 0.030 1 500 106 51 GLU HA H 3.764 0.030 1 501 106 51 GLU HB2 H 1.814 0.030 2 502 106 51 GLU HB3 H 1.663 0.030 2 503 106 51 GLU HG2 H 2.099 0.030 2 504 106 51 GLU HG3 H 2.059 0.030 2 505 106 51 GLU C C 176.966 0.300 1 506 106 51 GLU CA C 58.090 0.300 1 507 106 51 GLU CB C 28.651 0.300 1 508 106 51 GLU CG C 36.296 0.300 1 509 106 51 GLU N N 115.372 0.300 1 510 107 52 ASP H H 7.760 0.030 1 511 107 52 ASP HA H 4.564 0.030 1 512 107 52 ASP HB2 H 2.848 0.030 2 513 107 52 ASP HB3 H 2.704 0.030 2 514 107 52 ASP C C 176.796 0.300 1 515 107 52 ASP CA C 54.628 0.300 1 516 107 52 ASP CB C 41.807 0.300 1 517 107 52 ASP N N 117.376 0.300 1 518 108 53 TRP H H 7.020 0.030 1 519 108 53 TRP HA H 5.249 0.030 1 520 108 53 TRP HB2 H 3.378 0.030 2 521 108 53 TRP HB3 H 2.801 0.030 2 522 108 53 TRP HD1 H 6.930 0.030 1 523 108 53 TRP HE1 H 9.868 0.030 1 524 108 53 TRP HE3 H 6.919 0.030 1 525 108 53 TRP HH2 H 6.584 0.030 1 526 108 53 TRP HZ2 H 7.276 0.030 1 527 108 53 TRP HZ3 H 5.890 0.030 1 528 108 53 TRP CA C 53.061 0.300 1 529 108 53 TRP CB C 28.379 0.300 1 530 108 53 TRP CD1 C 124.770 0.300 1 531 108 53 TRP CE3 C 120.107 0.300 1 532 108 53 TRP CH2 C 123.917 0.300 1 533 108 53 TRP CZ2 C 114.437 0.300 1 534 108 53 TRP CZ3 C 121.504 0.300 1 535 108 53 TRP N N 123.772 0.300 1 536 108 53 TRP NE1 N 129.586 0.300 1 537 109 54 PRO HA H 4.619 0.030 1 538 109 54 PRO HB2 H 2.460 0.030 2 539 109 54 PRO HB3 H 1.992 0.030 2 540 109 54 PRO HD2 H 4.218 0.030 2 541 109 54 PRO HD3 H 4.735 0.030 2 542 109 54 PRO HG2 H 2.299 0.030 2 543 109 54 PRO HG3 H 2.255 0.030 2 544 109 54 PRO C C 176.821 0.300 1 545 109 54 PRO CA C 63.050 0.300 1 546 109 54 PRO CB C 32.519 0.300 1 547 109 54 PRO CD C 51.372 0.300 1 548 109 54 PRO CG C 27.512 0.300 1 549 110 55 SER H H 8.741 0.030 1 550 110 55 SER HA H 5.025 0.030 1 551 110 55 SER HB2 H 3.884 0.030 1 552 110 55 SER HB3 H 3.884 0.030 1 553 110 55 SER C C 174.544 0.300 1 554 110 55 SER CA C 59.126 0.300 1 555 110 55 SER CB C 63.339 0.300 1 556 110 55 SER N N 117.469 0.300 1 557 111 56 VAL H H 9.419 0.030 1 558 111 56 VAL HA H 5.021 0.030 1 559 111 56 VAL HB H 2.145 0.030 1 560 111 56 VAL HG1 H 0.869 0.030 1 561 111 56 VAL HG2 H 0.745 0.030 1 562 111 56 VAL C C 173.550 0.300 1 563 111 56 VAL CA C 58.734 0.300 1 564 111 56 VAL CB C 35.857 0.300 1 565 111 56 VAL CG1 C 22.321 0.300 2 566 111 56 VAL CG2 C 20.595 0.300 2 567 111 56 VAL N N 118.720 0.300 1 568 112 57 ASN H H 9.085 0.030 1 569 112 57 ASN HA H 5.607 0.030 1 570 112 57 ASN HB2 H 2.514 0.030 2 571 112 57 ASN HB3 H 2.393 0.030 2 572 112 57 ASN HD21 H 7.357 0.030 2 573 112 57 ASN HD22 H 6.987 0.030 2 574 112 57 ASN C C 174.253 0.300 1 575 112 57 ASN CA C 52.080 0.300 1 576 112 57 ASN CB C 41.146 0.300 1 577 112 57 ASN N N 117.546 0.300 1 578 112 57 ASN ND2 N 112.806 0.300 1 579 113 58 MET H H 9.601 0.030 1 580 113 58 MET HA H 4.940 0.030 1 581 113 58 MET HB2 H 2.026 0.030 2 582 113 58 MET HB3 H 1.581 0.030 2 583 113 58 MET HE H 0.958 0.030 1 584 113 58 MET HG2 H 1.897 0.030 1 585 113 58 MET HG3 H 1.897 0.030 1 586 113 58 MET C C 173.696 0.300 1 587 113 58 MET CA C 54.381 0.300 1 588 113 58 MET CB C 35.895 0.300 1 589 113 58 MET CE C 15.121 0.300 1 590 113 58 MET CG C 31.610 0.300 1 591 113 58 MET N N 124.796 0.300 1 592 114 59 ASN H H 9.463 0.030 1 593 114 59 ASN HA H 5.414 0.030 1 594 114 59 ASN HB2 H 2.765 0.030 2 595 114 59 ASN HB3 H 2.422 0.030 2 596 114 59 ASN HD21 H 6.852 0.030 2 597 114 59 ASN HD22 H 6.609 0.030 2 598 114 59 ASN C C 174.640 0.300 1 599 114 59 ASN CA C 51.833 0.300 1 600 114 59 ASN CB C 40.468 0.300 1 601 114 59 ASN N N 127.206 0.300 1 602 114 59 ASN ND2 N 109.280 0.300 1 603 115 60 VAL H H 9.231 0.030 1 604 115 60 VAL HA H 4.515 0.030 1 605 115 60 VAL HB H 2.132 0.030 1 606 115 60 VAL HG1 H 0.733 0.030 1 607 115 60 VAL HG2 H 0.782 0.030 1 608 115 60 VAL C C 174.374 0.300 1 609 115 60 VAL CA C 62.092 0.300 1 610 115 60 VAL CB C 32.645 0.300 1 611 115 60 VAL CG1 C 21.572 0.300 2 612 115 60 VAL CG2 C 20.820 0.300 2 613 115 60 VAL N N 125.429 0.300 1 614 116 61 ALA H H 8.440 0.030 1 615 116 61 ALA HA H 4.706 0.030 1 616 116 61 ALA HB H 1.439 0.030 1 617 116 61 ALA C C 175.876 0.300 1 618 116 61 ALA CA C 51.175 0.300 1 619 116 61 ALA CB C 22.061 0.300 1 620 116 61 ALA N N 129.729 0.300 1 621 117 62 ASP H H 8.937 0.030 1 622 117 62 ASP HA H 4.299 0.030 1 623 117 62 ASP HB2 H 2.567 0.030 2 624 117 62 ASP HB3 H 2.800 0.030 2 625 117 62 ASP C C 176.821 0.300 1 626 117 62 ASP CA C 56.108 0.300 1 627 117 62 ASP CB C 39.831 0.300 1 628 117 62 ASP N N 119.246 0.300 1 629 118 63 ALA H H 8.842 0.030 1 630 118 63 ALA HA H 4.148 0.030 1 631 118 63 ALA HB H 1.501 0.030 1 632 118 63 ALA C C 177.571 0.300 1 633 118 63 ALA CA C 52.773 0.300 1 634 118 63 ALA CB C 18.902 0.300 1 635 118 63 ALA N N 117.584 0.300 1 636 119 64 THR H H 7.656 0.030 1 637 119 64 THR HA H 4.954 0.030 1 638 119 64 THR HB H 4.012 0.030 1 639 119 64 THR HG2 H 1.040 0.030 1 640 119 64 THR C C 171.903 0.300 1 641 119 64 THR CA C 61.862 0.300 1 642 119 64 THR CB C 72.577 0.300 1 643 119 64 THR CG2 C 21.692 0.300 1 644 119 64 THR N N 114.028 0.300 1 645 120 65 VAL H H 8.780 0.030 1 646 120 65 VAL HA H 4.678 0.030 1 647 120 65 VAL HB H 1.691 0.030 1 648 120 65 VAL HG1 H 0.614 0.030 1 649 120 65 VAL HG2 H 0.614 0.030 1 650 120 65 VAL C C 174.592 0.300 1 651 120 65 VAL CA C 61.411 0.300 1 652 120 65 VAL CB C 33.635 0.300 1 653 120 65 VAL CG1 C 20.759 0.300 2 654 120 65 VAL CG2 C 20.759 0.300 2 655 120 65 VAL N N 126.126 0.300 1 656 121 66 THR H H 8.969 0.030 1 657 121 66 THR HA H 5.076 0.030 1 658 121 66 THR HB H 3.928 0.030 1 659 121 66 THR HG2 H 1.267 0.030 1 660 121 66 THR C C 173.357 0.300 1 661 121 66 THR CA C 61.140 0.300 1 662 121 66 THR CB C 70.729 0.300 1 663 121 66 THR CG2 C 22.704 0.300 1 664 121 66 THR N N 122.255 0.300 1 665 122 67 VAL H H 9.151 0.030 1 666 122 67 VAL HA H 4.816 0.030 1 667 122 67 VAL HB H 1.912 0.030 1 668 122 67 VAL HG1 H 0.658 0.030 1 669 122 67 VAL HG2 H 0.771 0.030 1 670 122 67 VAL C C 174.374 0.300 1 671 122 67 VAL CA C 61.286 0.300 1 672 122 67 VAL CB C 32.597 0.300 1 673 122 67 VAL CG1 C 21.854 0.300 2 674 122 67 VAL CG2 C 21.664 0.300 2 675 122 67 VAL N N 126.629 0.300 1 676 123 68 ILE H H 9.105 0.030 1 677 123 68 ILE HA H 4.866 0.030 1 678 123 68 ILE HB H 1.746 0.030 1 679 123 68 ILE HD1 H 0.831 0.030 1 680 123 68 ILE HG12 H 1.461 0.030 2 681 123 68 ILE HG13 H 1.038 0.030 2 682 123 68 ILE HG2 H 1.017 0.030 1 683 123 68 ILE C C 175.391 0.300 1 684 123 68 ILE CA C 59.807 0.300 1 685 123 68 ILE CB C 41.574 0.300 1 686 123 68 ILE CD1 C 13.462 0.300 1 687 123 68 ILE CG1 C 28.340 0.300 1 688 123 68 ILE CG2 C 18.292 0.300 1 689 123 68 ILE N N 128.076 0.300 1 690 124 69 SER H H 8.451 0.030 1 691 124 69 SER HA H 4.368 0.030 1 692 124 69 SER HB2 H 4.335 0.030 2 693 124 69 SER HB3 H 4.158 0.030 2 694 124 69 SER C C 174.955 0.300 1 695 124 69 SER CA C 58.903 0.300 1 696 124 69 SER CB C 63.907 0.300 1 697 124 69 SER N N 120.215 0.300 1 698 125 70 GLU H H 8.341 0.030 1 699 125 70 GLU HA H 4.191 0.030 1 700 125 70 GLU HB2 H 1.966 0.030 2 701 125 70 GLU HB3 H 1.851 0.030 2 702 125 70 GLU HG2 H 2.201 0.030 1 703 125 70 GLU HG3 H 2.201 0.030 1 704 125 70 GLU C C 177.135 0.300 1 705 125 70 GLU CA C 58.343 0.300 1 706 125 70 GLU CB C 29.994 0.300 1 707 125 70 GLU CG C 36.543 0.300 1 708 125 70 GLU N N 124.471 0.300 1 709 126 71 LYS H H 8.108 0.030 1 710 126 71 LYS HA H 4.266 0.030 1 711 126 71 LYS HB2 H 1.876 0.030 2 712 126 71 LYS HB3 H 1.782 0.030 2 713 126 71 LYS HD2 H 1.720 0.030 1 714 126 71 LYS HD3 H 1.720 0.030 1 715 126 71 LYS HE2 H 3.040 0.030 1 716 126 71 LYS HE3 H 3.040 0.030 1 717 126 71 LYS HG2 H 1.514 0.030 2 718 126 71 LYS HG3 H 1.448 0.030 2 719 126 71 LYS C C 176.384 0.300 1 720 126 71 LYS CA C 56.765 0.300 1 721 126 71 LYS CB C 33.255 0.300 1 722 126 71 LYS CD C 29.062 0.300 1 723 126 71 LYS CE C 42.114 0.300 1 724 126 71 LYS CG C 25.116 0.300 1 725 126 71 LYS N N 117.217 0.300 1 726 127 72 ASN H H 7.474 0.030 1 727 127 72 ASN HA H 4.715 0.030 1 728 127 72 ASN HB2 H 2.892 0.030 2 729 127 72 ASN HB3 H 2.768 0.030 2 730 127 72 ASN HD21 H 7.718 0.030 2 731 127 72 ASN HD22 H 7.016 0.030 2 732 127 72 ASN C C 174.616 0.300 1 733 127 72 ASN CA C 52.984 0.300 1 734 127 72 ASN CB C 38.804 0.300 1 735 127 72 ASN N N 116.255 0.300 1 736 127 72 ASN ND2 N 112.490 0.300 1 737 128 73 GLU H H 8.671 0.030 1 738 128 73 GLU HA H 4.155 0.030 1 739 128 73 GLU HB2 H 2.072 0.030 2 740 128 73 GLU HB3 H 1.999 0.030 2 741 128 73 GLU HG2 H 2.271 0.030 1 742 128 73 GLU HG3 H 2.271 0.030 1 743 128 73 GLU C C 175.682 0.300 1 744 128 73 GLU CA C 57.974 0.300 1 745 128 73 GLU CB C 29.242 0.300 1 746 128 73 GLU CG C 36.509 0.300 1 747 128 73 GLU N N 121.359 0.300 1 748 129 74 GLU H H 8.038 0.030 1 749 129 74 GLU HA H 4.191 0.030 1 750 129 74 GLU HB2 H 2.125 0.030 2 751 129 74 GLU HB3 H 1.951 0.030 2 752 129 74 GLU HG2 H 2.271 0.030 2 753 129 74 GLU HG3 H 2.178 0.030 2 754 129 74 GLU C C 176.239 0.300 1 755 129 74 GLU CA C 56.478 0.300 1 756 129 74 GLU CB C 29.484 0.300 1 757 129 74 GLU CG C 36.715 0.300 1 758 129 74 GLU N N 115.559 0.300 1 759 130 75 GLU H H 7.968 0.030 1 760 130 75 GLU HA H 4.319 0.030 1 761 130 75 GLU HB2 H 2.244 0.030 2 762 130 75 GLU HB3 H 1.898 0.030 2 763 130 75 GLU HG2 H 2.066 0.030 2 764 130 75 GLU HG3 H 2.146 0.030 2 765 130 75 GLU C C 173.914 0.300 1 766 130 75 GLU CA C 55.861 0.300 1 767 130 75 GLU CB C 30.202 0.300 1 768 130 75 GLU CG C 36.378 0.300 1 769 130 75 GLU N N 122.554 0.300 1 770 131 76 VAL H H 8.304 0.030 1 771 131 76 VAL HA H 4.047 0.030 1 772 131 76 VAL HB H 1.998 0.030 1 773 131 76 VAL HG1 H 0.894 0.030 1 774 131 76 VAL HG2 H 0.779 0.030 1 775 131 76 VAL C C 176.602 0.300 1 776 131 76 VAL CA C 62.766 0.300 1 777 131 76 VAL CB C 31.782 0.300 1 778 131 76 VAL CG1 C 21.046 0.300 2 779 131 76 VAL CG2 C 21.605 0.300 2 780 131 76 VAL N N 127.106 0.300 1 781 132 77 LEU H H 9.059 0.030 1 782 132 77 LEU HA H 4.358 0.030 1 783 132 77 LEU HB2 H 1.498 0.030 2 784 132 77 LEU HB3 H 1.318 0.030 2 785 132 77 LEU HD1 H 0.895 0.030 1 786 132 77 LEU HD2 H 0.878 0.030 1 787 132 77 LEU HG H 1.688 0.030 1 788 132 77 LEU C C 177.523 0.300 1 789 132 77 LEU CA C 56.625 0.300 1 790 132 77 LEU CB C 42.856 0.300 1 791 132 77 LEU CD1 C 25.856 0.300 2 792 132 77 LEU CD2 C 23.089 0.300 2 793 132 77 LEU CG C 27.893 0.300 1 794 132 77 LEU N N 129.817 0.300 1 795 133 78 VAL H H 7.364 0.030 1 796 133 78 VAL HA H 4.198 0.030 1 797 133 78 VAL HB H 1.727 0.030 1 798 133 78 VAL HG1 H 0.519 0.030 1 799 133 78 VAL HG2 H 0.571 0.030 1 800 133 78 VAL C C 172.848 0.300 1 801 133 78 VAL CA C 61.225 0.300 1 802 133 78 VAL CB C 35.773 0.300 1 803 133 78 VAL CG1 C 19.729 0.300 2 804 133 78 VAL CG2 C 21.319 0.300 2 805 133 78 VAL N N 115.069 0.300 1 806 134 79 GLU H H 8.730 0.030 1 807 134 79 GLU HA H 4.816 0.030 1 808 134 79 GLU HB2 H 1.988 0.030 2 809 134 79 GLU HB3 H 1.784 0.030 2 810 134 79 GLU HG2 H 1.861 0.030 2 811 134 79 GLU HG3 H 2.035 0.030 2 812 134 79 GLU C C 173.696 0.300 1 813 134 79 GLU CA C 55.450 0.300 1 814 134 79 GLU CB C 32.021 0.300 1 815 134 79 GLU CG C 36.794 0.300 1 816 134 79 GLU N N 127.983 0.300 1 817 135 80 CYS H H 9.268 0.030 1 818 135 80 CYS HA H 4.952 0.030 1 819 135 80 CYS HB2 H 2.871 0.030 2 820 135 80 CYS HB3 H 2.518 0.030 2 821 135 80 CYS C C 174.931 0.300 1 822 135 80 CYS CA C 57.136 0.300 1 823 135 80 CYS CB C 29.146 0.300 1 824 135 80 CYS N N 127.044 0.300 1 825 136 81 ARG H H 9.201 0.030 1 826 136 81 ARG HA H 4.729 0.030 1 827 136 81 ARG HB2 H 2.178 0.030 2 828 136 81 ARG HB3 H 1.997 0.030 2 829 136 81 ARG HD2 H 3.279 0.030 1 830 136 81 ARG HD3 H 3.279 0.030 1 831 136 81 ARG HG2 H 1.898 0.030 1 832 136 81 ARG HG3 H 1.898 0.030 1 833 136 81 ARG C C 178.783 0.300 1 834 136 81 ARG CA C 56.354 0.300 1 835 136 81 ARG CB C 29.850 0.300 1 836 136 81 ARG CD C 43.390 0.300 1 837 136 81 ARG CG C 27.580 0.300 1 838 136 81 ARG N N 130.439 0.300 1 839 137 82 VAL H H 8.486 0.030 1 840 137 82 VAL HA H 3.697 0.030 1 841 137 82 VAL HB H 2.314 0.030 1 842 137 82 VAL HG1 H 0.829 0.030 1 843 137 82 VAL HG2 H 0.908 0.030 1 844 137 82 VAL C C 177.014 0.300 1 845 137 82 VAL CA C 66.481 0.300 1 846 137 82 VAL CB C 31.028 0.300 1 847 137 82 VAL CG1 C 21.834 0.300 2 848 137 82 VAL CG2 C 20.266 0.300 2 849 137 82 VAL N N 122.335 0.300 1 850 138 83 ARG H H 8.056 0.030 1 851 138 83 ARG HA H 4.094 0.030 1 852 138 83 ARG HB2 H 1.667 0.030 2 853 138 83 ARG HB3 H 1.357 0.030 2 854 138 83 ARG HD2 H 2.908 0.030 2 855 138 83 ARG HD3 H 2.766 0.030 2 856 138 83 ARG HG2 H 1.153 0.030 2 857 138 83 ARG HG3 H 0.758 0.030 2 858 138 83 ARG C C 175.246 0.300 1 859 138 83 ARG CA C 57.669 0.300 1 860 138 83 ARG CB C 29.614 0.300 1 861 138 83 ARG CD C 43.087 0.300 1 862 138 83 ARG CG C 26.267 0.300 1 863 138 83 ARG N N 117.722 0.300 1 864 139 84 PHE H H 8.224 0.030 1 865 139 84 PHE HA H 5.063 0.030 1 866 139 84 PHE HB2 H 4.461 0.030 2 867 139 84 PHE HB3 H 2.971 0.030 2 868 139 84 PHE HD1 H 7.428 0.030 1 869 139 84 PHE HD2 H 7.428 0.030 1 870 139 84 PHE HE1 H 7.346 0.030 1 871 139 84 PHE HE2 H 7.346 0.030 1 872 139 84 PHE C C 172.969 0.300 1 873 139 84 PHE CA C 57.702 0.300 1 874 139 84 PHE CB C 39.429 0.300 1 875 139 84 PHE CD1 C 131.581 0.300 1 876 139 84 PHE CD2 C 131.581 0.300 1 877 139 84 PHE CE1 C 131.249 0.300 1 878 139 84 PHE CE2 C 131.249 0.300 1 879 139 84 PHE N N 115.735 0.300 1 880 140 85 LEU H H 7.760 0.030 1 881 140 85 LEU HA H 4.829 0.030 1 882 140 85 LEU HB2 H 1.976 0.030 2 883 140 85 LEU HB3 H 1.446 0.030 2 884 140 85 LEU HD1 H 0.223 0.030 1 885 140 85 LEU HD2 H 0.757 0.030 1 886 140 85 LEU HG H 1.646 0.030 1 887 140 85 LEU C C 175.706 0.300 1 888 140 85 LEU CA C 55.450 0.300 1 889 140 85 LEU CB C 43.231 0.300 1 890 140 85 LEU CD1 C 26.283 0.300 2 891 140 85 LEU CD2 C 25.230 0.300 2 892 140 85 LEU CG C 28.820 0.300 1 893 140 85 LEU N N 125.824 0.300 1 894 141 86 SER H H 9.012 0.030 1 895 141 86 SER HA H 3.931 0.030 1 896 141 86 SER HB2 H 3.166 0.030 2 897 141 86 SER HB3 H 2.257 0.030 2 898 141 86 SER C C 176.724 0.300 1 899 141 86 SER CA C 60.597 0.300 1 900 141 86 SER CB C 62.766 0.300 1 901 141 86 SER N N 120.941 0.300 1 902 142 87 PHE H H 7.672 0.030 1 903 142 87 PHE HA H 5.499 0.030 1 904 142 87 PHE HB2 H 3.690 0.030 2 905 142 87 PHE HB3 H 2.626 0.030 2 906 142 87 PHE HD1 H 6.993 0.030 1 907 142 87 PHE HD2 H 6.993 0.030 1 908 142 87 PHE HE1 H 7.268 0.030 1 909 142 87 PHE HE2 H 7.268 0.030 1 910 142 87 PHE HZ H 7.399 0.030 1 911 142 87 PHE C C 172.048 0.300 1 912 142 87 PHE CA C 57.247 0.300 1 913 142 87 PHE CB C 46.293 0.300 1 914 142 87 PHE CE1 C 130.514 0.300 1 915 142 87 PHE CE2 C 130.514 0.300 1 916 142 87 PHE N N 124.616 0.300 1 917 143 88 MET H H 7.678 0.030 1 918 143 88 MET HA H 5.276 0.030 1 919 143 88 MET HB2 H 2.365 0.030 2 920 143 88 MET HB3 H 2.096 0.030 2 921 143 88 MET HE H 2.045 0.030 1 922 143 88 MET HG2 H 2.686 0.030 2 923 143 88 MET HG3 H 2.309 0.030 2 924 143 88 MET C C 171.273 0.300 1 925 143 88 MET CA C 54.309 0.300 1 926 143 88 MET CB C 36.872 0.300 1 927 143 88 MET CE C 20.030 0.300 1 928 143 88 MET CG C 31.610 0.300 1 929 143 88 MET N N 121.692 0.300 1 930 144 89 GLY H H 8.096 0.030 1 931 144 89 GLY HA2 H 4.146 0.030 2 932 144 89 GLY HA3 H 3.797 0.030 2 933 144 89 GLY C C 168.996 0.300 1 934 144 89 GLY CA C 46.096 0.300 1 935 144 89 GLY N N 103.003 0.300 1 936 145 90 VAL H H 6.858 0.030 1 937 145 90 VAL HA H 4.888 0.030 1 938 145 90 VAL HB H 1.284 0.030 1 939 145 90 VAL HG1 H 0.924 0.030 1 940 145 90 VAL HG2 H 1.279 0.030 1 941 145 90 VAL C C 175.004 0.300 1 942 145 90 VAL CA C 59.524 0.300 1 943 145 90 VAL CB C 35.730 0.300 1 944 145 90 VAL CG1 C 23.081 0.300 2 945 145 90 VAL CG2 C 20.266 0.300 2 946 145 90 VAL N N 119.130 0.300 1 947 146 91 GLY H H 7.511 0.030 1 948 146 91 GLY HA2 H 4.644 0.030 2 949 146 91 GLY HA3 H 3.738 0.030 2 950 146 91 GLY C C 172.242 0.300 1 951 146 91 GLY CA C 44.882 0.300 1 952 146 91 GLY N N 110.889 0.300 1 953 147 92 LYS H H 8.108 0.030 1 954 147 92 LYS HA H 3.809 0.030 1 955 147 92 LYS HB2 H 1.744 0.030 1 956 147 92 LYS HB3 H 1.744 0.030 1 957 147 92 LYS HD2 H 1.661 0.030 1 958 147 92 LYS HD3 H 1.661 0.030 1 959 147 92 LYS HE2 H 2.961 0.030 2 960 147 92 LYS HE3 H 2.926 0.030 2 961 147 92 LYS HG2 H 1.422 0.030 1 962 147 92 LYS HG3 H 1.422 0.030 1 963 147 92 LYS C C 177.983 0.300 1 964 147 92 LYS CA C 59.207 0.300 1 965 147 92 LYS CB C 32.268 0.300 1 966 147 92 LYS CD C 29.062 0.300 1 967 147 92 LYS CE C 42.215 0.300 1 968 147 92 LYS CG C 25.034 0.300 1 969 147 92 LYS N N 117.776 0.300 1 970 148 93 ASP H H 8.410 0.030 1 971 148 93 ASP HA H 4.933 0.030 1 972 148 93 ASP HB2 H 2.867 0.030 2 973 148 93 ASP HB3 H 2.449 0.030 2 974 148 93 ASP C C 178.129 0.300 1 975 148 93 ASP CA C 52.907 0.300 1 976 148 93 ASP CB C 42.544 0.300 1 977 148 93 ASP N N 116.611 0.300 1 978 149 94 VAL H H 8.440 0.030 1 979 149 94 VAL HA H 3.798 0.030 1 980 149 94 VAL HB H 2.278 0.030 1 981 149 94 VAL HG1 H 0.973 0.030 1 982 149 94 VAL HG2 H 0.677 0.030 1 983 149 94 VAL C C 175.246 0.300 1 984 149 94 VAL CA C 63.588 0.300 1 985 149 94 VAL CB C 31.702 0.300 1 986 149 94 VAL CG1 C 21.303 0.300 2 987 149 94 VAL CG2 C 17.553 0.300 2 988 149 94 VAL N N 121.383 0.300 1 989 150 95 HIS H H 9.007 0.030 1 990 150 95 HIS HA H 3.941 0.030 1 991 150 95 HIS HB2 H 1.458 0.030 2 992 150 95 HIS HB3 H 0.649 0.030 2 993 150 95 HIS HD2 H 7.026 0.030 1 994 150 95 HIS HE1 H 8.632 0.030 1 995 150 95 HIS C C 176.312 0.300 1 996 150 95 HIS CA C 58.150 0.300 1 997 150 95 HIS CB C 25.814 0.300 1 998 150 95 HIS CD2 C 121.166 0.300 1 999 150 95 HIS CE1 C 134.680 0.300 1 1000 150 95 HIS N N 117.184 0.300 1 1001 151 96 THR H H 8.478 0.030 1 1002 151 96 THR HA H 5.164 0.030 1 1003 151 96 THR HB H 3.898 0.030 1 1004 151 96 THR HG2 H 1.347 0.030 1 1005 151 96 THR C C 172.170 0.300 1 1006 151 96 THR CA C 60.464 0.300 1 1007 151 96 THR CB C 71.934 0.300 1 1008 151 96 THR CG2 C 24.265 0.300 1 1009 151 96 THR N N 109.497 0.300 1 1010 152 97 PHE H H 8.741 0.030 1 1011 152 97 PHE HA H 5.295 0.030 1 1012 152 97 PHE HB2 H 3.202 0.030 2 1013 152 97 PHE HB3 H 2.451 0.030 2 1014 152 97 PHE HD1 H 6.960 0.030 1 1015 152 97 PHE HD2 H 6.960 0.030 1 1016 152 97 PHE HE1 H 7.003 0.030 1 1017 152 97 PHE HE2 H 7.003 0.030 1 1018 152 97 PHE HZ H 7.167 0.030 1 1019 152 97 PHE C C 172.484 0.300 1 1020 152 97 PHE CA C 54.826 0.300 1 1021 152 97 PHE CB C 44.723 0.300 1 1022 152 97 PHE CD1 C 131.917 0.300 1 1023 152 97 PHE CD2 C 131.917 0.300 1 1024 152 97 PHE CE1 C 130.664 0.300 1 1025 152 97 PHE CE2 C 130.664 0.300 1 1026 152 97 PHE CZ C 129.250 0.300 1 1027 152 97 PHE N N 121.438 0.300 1 1028 153 98 ALA H H 7.971 0.030 1 1029 153 98 ALA HA H 5.484 0.030 1 1030 153 98 ALA HB H 0.994 0.030 1 1031 153 98 ALA C C 174.204 0.300 1 1032 153 98 ALA CA C 49.898 0.300 1 1033 153 98 ALA CB C 25.203 0.300 1 1034 153 98 ALA N N 127.498 0.300 1 1035 154 99 PHE H H 8.037 0.030 1 1036 154 99 PHE HA H 5.467 0.030 1 1037 154 99 PHE HB2 H 3.378 0.030 2 1038 154 99 PHE HB3 H 2.731 0.030 2 1039 154 99 PHE HD1 H 7.048 0.030 1 1040 154 99 PHE HD2 H 7.048 0.030 1 1041 154 99 PHE HE1 H 7.169 0.030 1 1042 154 99 PHE HE2 H 7.169 0.030 1 1043 154 99 PHE HZ H 6.778 0.030 1 1044 154 99 PHE C C 172.412 0.300 1 1045 154 99 PHE CA C 54.967 0.300 1 1046 154 99 PHE CB C 43.213 0.300 1 1047 154 99 PHE CD1 C 132.258 0.300 1 1048 154 99 PHE CD2 C 132.258 0.300 1 1049 154 99 PHE CE1 C 130.895 0.300 1 1050 154 99 PHE CE2 C 130.895 0.300 1 1051 154 99 PHE CZ C 127.756 0.300 1 1052 154 99 PHE N N 111.373 0.300 1 1053 155 100 ILE H H 9.321 0.030 1 1054 155 100 ILE HA H 5.044 0.030 1 1055 155 100 ILE HB H 1.731 0.030 1 1056 155 100 ILE HD1 H 0.605 0.030 1 1057 155 100 ILE HG12 H 0.592 0.030 2 1058 155 100 ILE HG13 H 1.687 0.030 2 1059 155 100 ILE HG2 H 0.856 0.030 1 1060 155 100 ILE C C 173.986 0.300 1 1061 155 100 ILE CA C 60.629 0.300 1 1062 155 100 ILE CB C 39.881 0.300 1 1063 155 100 ILE CD1 C 13.032 0.300 1 1064 155 100 ILE CG1 C 28.623 0.300 1 1065 155 100 ILE CG2 C 18.844 0.300 1 1066 155 100 ILE N N 121.231 0.300 1 1067 156 101 MET H H 9.528 0.030 1 1068 156 101 MET HA H 5.796 0.030 1 1069 156 101 MET HB2 H 2.374 0.030 2 1070 156 101 MET HB3 H 2.330 0.030 2 1071 156 101 MET HE H 2.221 0.030 1 1072 156 101 MET HG2 H 2.703 0.030 1 1073 156 101 MET HG3 H 2.703 0.030 1 1074 156 101 MET C C 173.986 0.300 1 1075 156 101 MET CA C 53.236 0.300 1 1076 156 101 MET CB C 38.043 0.300 1 1077 156 101 MET CE C 17.693 0.300 1 1078 156 101 MET CG C 31.939 0.300 1 1079 156 101 MET N N 123.897 0.300 1 1080 157 102 ASP H H 9.482 0.030 1 1081 157 102 ASP HA H 5.067 0.030 1 1082 157 102 ASP HB2 H 3.627 0.030 2 1083 157 102 ASP HB3 H 2.994 0.030 2 1084 157 102 ASP C C 177.039 0.300 1 1085 157 102 ASP CA C 52.883 0.300 1 1086 157 102 ASP CB C 43.531 0.300 1 1087 157 102 ASP N N 124.672 0.300 1 1088 158 103 THR H H 8.548 0.030 1 1089 158 103 THR HA H 4.280 0.030 1 1090 158 103 THR HB H 4.502 0.030 1 1091 158 103 THR HG2 H 1.217 0.030 1 1092 158 103 THR C C 175.125 0.300 1 1093 158 103 THR CA C 62.015 0.300 1 1094 158 103 THR CB C 68.745 0.300 1 1095 158 103 THR CG2 C 21.992 0.300 1 1096 158 103 THR N N 116.352 0.300 1 1097 159 104 GLY H H 9.047 0.030 1 1098 159 104 GLY HA2 H 4.310 0.030 2 1099 159 104 GLY HA3 H 3.527 0.030 2 1100 159 104 GLY C C 173.938 0.300 1 1101 159 104 GLY CA C 44.826 0.300 1 1102 159 104 GLY N N 113.007 0.300 1 1103 160 105 ASN H H 8.740 0.030 1 1104 160 105 ASN HA H 4.462 0.030 1 1105 160 105 ASN HB2 H 2.572 0.030 2 1106 160 105 ASN HB3 H 2.849 0.030 2 1107 160 105 ASN HD21 H 6.849 0.030 2 1108 160 105 ASN HD22 H 7.479 0.030 2 1109 160 105 ASN C C 173.986 0.300 1 1110 160 105 ASN CA C 53.471 0.300 1 1111 160 105 ASN CB C 37.863 0.300 1 1112 160 105 ASN N N 118.345 0.300 1 1113 160 105 ASN ND2 N 112.871 0.300 1 1114 161 106 GLN H H 9.060 0.030 1 1115 161 106 GLN HA H 3.273 0.030 1 1116 161 106 GLN HB2 H 2.211 0.030 2 1117 161 106 GLN HB3 H 2.131 0.030 2 1118 161 106 GLN HE21 H 6.718 0.030 2 1119 161 106 GLN HE22 H 7.671 0.030 2 1120 161 106 GLN HG2 H 2.215 0.030 1 1121 161 106 GLN HG3 H 2.215 0.030 1 1122 161 106 GLN C C 173.865 0.300 1 1123 161 106 GLN CA C 57.027 0.300 1 1124 161 106 GLN CB C 25.838 0.300 1 1125 161 106 GLN CG C 34.991 0.300 1 1126 161 106 GLN N N 112.699 0.300 1 1127 161 106 GLN NE2 N 112.947 0.300 1 1128 162 107 ARG H H 6.814 0.030 1 1129 162 107 ARG HA H 4.278 0.030 1 1130 162 107 ARG HB2 H 1.679 0.030 2 1131 162 107 ARG HB3 H 1.634 0.030 2 1132 162 107 ARG HD2 H 3.117 0.030 1 1133 162 107 ARG HD3 H 3.117 0.030 1 1134 162 107 ARG HG2 H 1.387 0.030 2 1135 162 107 ARG HG3 H 1.534 0.030 2 1136 162 107 ARG C C 174.834 0.300 1 1137 162 107 ARG CA C 54.655 0.300 1 1138 162 107 ARG CB C 30.331 0.300 1 1139 162 107 ARG CD C 43.366 0.300 1 1140 162 107 ARG CG C 27.124 0.300 1 1141 162 107 ARG N N 117.791 0.300 1 1142 163 108 PHE H H 8.286 0.030 1 1143 163 108 PHE HA H 5.624 0.030 1 1144 163 108 PHE HB2 H 2.821 0.030 2 1145 163 108 PHE HB3 H 2.674 0.030 2 1146 163 108 PHE HD1 H 6.899 0.030 1 1147 163 108 PHE HD2 H 6.899 0.030 1 1148 163 108 PHE HE1 H 7.288 0.030 1 1149 163 108 PHE HE2 H 7.288 0.030 1 1150 163 108 PHE HZ H 7.258 0.030 1 1151 163 108 PHE C C 176.288 0.300 1 1152 163 108 PHE CA C 56.465 0.300 1 1153 163 108 PHE CB C 41.188 0.300 1 1154 163 108 PHE CD1 C 131.452 0.300 1 1155 163 108 PHE CD2 C 131.452 0.300 1 1156 163 108 PHE CE1 C 131.279 0.300 1 1157 163 108 PHE CE2 C 131.279 0.300 1 1158 163 108 PHE CZ C 129.265 0.300 1 1159 163 108 PHE N N 122.971 0.300 1 1160 164 109 GLU H H 9.270 0.030 1 1161 164 109 GLU HA H 4.623 0.030 1 1162 164 109 GLU HB2 H 1.920 0.030 2 1163 164 109 GLU HB3 H 1.665 0.030 2 1164 164 109 GLU HG2 H 2.266 0.030 2 1165 164 109 GLU HG3 H 2.204 0.030 2 1166 164 109 GLU C C 174.204 0.300 1 1167 164 109 GLU CA C 55.034 0.300 1 1168 164 109 GLU CB C 34.189 0.300 1 1169 164 109 GLU CG C 36.299 0.300 1 1170 164 109 GLU N N 121.118 0.300 1 1171 165 110 CYS H H 8.940 0.030 1 1172 165 110 CYS HA H 5.434 0.030 1 1173 165 110 CYS HB2 H 2.617 0.030 2 1174 165 110 CYS HB3 H 2.407 0.030 2 1175 165 110 CYS C C 172.654 0.300 1 1176 165 110 CYS CA C 56.415 0.300 1 1177 165 110 CYS CB C 29.168 0.300 1 1178 165 110 CYS N N 124.138 0.300 1 1179 166 111 HIS H H 8.428 0.030 1 1180 166 111 HIS HA H 4.691 0.030 1 1181 166 111 HIS HB2 H 2.603 0.030 2 1182 166 111 HIS HB3 H 1.724 0.030 2 1183 166 111 HIS HD2 H 6.491 0.030 1 1184 166 111 HIS HE1 H 7.707 0.030 1 1185 166 111 HIS C C 174.253 0.300 1 1186 166 111 HIS CA C 55.532 0.300 1 1187 166 111 HIS CB C 34.012 0.300 1 1188 166 111 HIS CD2 C 116.435 0.300 1 1189 166 111 HIS CE1 C 138.945 0.300 1 1190 166 111 HIS N N 128.884 0.300 1 1191 167 112 VAL H H 7.580 0.030 1 1192 167 112 VAL HA H 4.577 0.030 1 1193 167 112 VAL HB H 1.421 0.030 1 1194 167 112 VAL HG1 H 0.854 0.030 1 1195 167 112 VAL HG2 H 0.601 0.030 1 1196 167 112 VAL C C 173.478 0.300 1 1197 167 112 VAL CA C 61.526 0.300 1 1198 167 112 VAL CB C 33.552 0.300 1 1199 167 112 VAL CG1 C 24.005 0.300 2 1200 167 112 VAL CG2 C 22.462 0.300 2 1201 167 112 VAL N N 119.874 0.300 1 1202 168 113 PHE H H 9.502 0.030 1 1203 168 113 PHE HA H 5.443 0.030 1 1204 168 113 PHE HB2 H 3.218 0.030 2 1205 168 113 PHE HB3 H 2.792 0.030 2 1206 168 113 PHE HD1 H 7.254 0.030 1 1207 168 113 PHE HD2 H 7.254 0.030 1 1208 168 113 PHE HE1 H 6.904 0.030 1 1209 168 113 PHE HE2 H 6.904 0.030 1 1210 168 113 PHE HZ H 6.778 0.030 1 1211 168 113 PHE C C 173.381 0.300 1 1212 168 113 PHE CA C 56.847 0.300 1 1213 168 113 PHE CB C 43.228 0.300 1 1214 168 113 PHE CD1 C 132.490 0.300 1 1215 168 113 PHE CD2 C 132.490 0.300 1 1216 168 113 PHE CE1 C 131.673 0.300 1 1217 168 113 PHE CE2 C 131.673 0.300 1 1218 168 113 PHE CZ C 128.010 0.300 1 1219 168 113 PHE N N 124.064 0.300 1 1220 169 114 TRP H H 9.308 0.030 1 1221 169 114 TRP HA H 4.864 0.030 1 1222 169 114 TRP HB2 H 2.919 0.030 2 1223 169 114 TRP HB3 H 3.209 0.030 2 1224 169 114 TRP HD1 H 7.302 0.030 1 1225 169 114 TRP HE1 H 10.655 0.030 1 1226 169 114 TRP HE3 H 7.248 0.030 1 1227 169 114 TRP HH2 H 7.163 0.030 1 1228 169 114 TRP HZ2 H 6.556 0.030 1 1229 169 114 TRP HZ3 H 7.010 0.030 1 1230 169 114 TRP C C 176.094 0.300 1 1231 169 114 TRP CA C 56.683 0.300 1 1232 169 114 TRP CB C 31.282 0.300 1 1233 169 114 TRP CD1 C 127.241 0.300 1 1234 169 114 TRP CE3 C 120.476 0.300 1 1235 169 114 TRP CH2 C 124.650 0.300 1 1236 169 114 TRP CZ2 C 114.143 0.300 1 1237 169 114 TRP CZ3 C 121.421 0.300 1 1238 169 114 TRP N N 122.423 0.300 1 1239 169 114 TRP NE1 N 131.731 0.300 1 1240 170 115 CYS H H 9.324 0.030 1 1241 170 115 CYS HA H 4.816 0.030 1 1242 170 115 CYS HB2 H 2.814 0.030 2 1243 170 115 CYS HB3 H 2.389 0.030 2 1244 170 115 CYS C C 172.993 0.300 1 1245 170 115 CYS CA C 57.094 0.300 1 1246 170 115 CYS CB C 30.788 0.300 1 1247 170 115 CYS N N 129.667 0.300 1 1248 171 116 GLU H H 8.838 0.030 1 1249 171 116 GLU HA H 4.696 0.030 1 1250 171 116 GLU HB2 H 1.942 0.030 2 1251 171 116 GLU HB3 H 2.164 0.030 2 1252 171 116 GLU HG2 H 2.493 0.030 2 1253 171 116 GLU HG3 H 2.648 0.030 2 1254 171 116 GLU CA C 53.559 0.300 1 1255 171 116 GLU CB C 30.953 0.300 1 1256 171 116 GLU CG C 35.014 0.300 1 1257 171 116 GLU N N 120.031 0.300 1 1258 172 117 PRO HA H 5.097 0.030 1 1259 172 117 PRO HB2 H 2.153 0.030 2 1260 172 117 PRO HB3 H 2.500 0.030 2 1261 172 117 PRO HD2 H 3.581 0.030 2 1262 172 117 PRO HD3 H 3.892 0.030 2 1263 172 117 PRO HG2 H 1.788 0.030 2 1264 172 117 PRO HG3 H 2.110 0.030 2 1265 172 117 PRO C C 175.319 0.300 1 1266 172 117 PRO CA C 64.241 0.300 1 1267 172 117 PRO CB C 33.830 0.300 1 1268 172 117 PRO CD C 49.815 0.300 1 1269 172 117 PRO CG C 24.717 0.300 1 1270 173 118 ASN H H 7.398 0.030 1 1271 173 118 ASN HA H 3.837 0.030 1 1272 173 118 ASN HB2 H 2.938 0.030 2 1273 173 118 ASN HB3 H 2.246 0.030 2 1274 173 118 ASN HD21 H 7.802 0.030 2 1275 173 118 ASN HD22 H 7.328 0.030 2 1276 173 118 ASN C C 174.398 0.300 1 1277 173 118 ASN CA C 52.577 0.300 1 1278 173 118 ASN CB C 38.509 0.300 1 1279 173 118 ASN N N 110.784 0.300 1 1280 173 118 ASN ND2 N 117.654 0.300 1 1281 174 119 ALA H H 8.550 0.030 1 1282 174 119 ALA HA H 4.192 0.030 1 1283 174 119 ALA HB H 1.275 0.030 1 1284 174 119 ALA C C 177.693 0.300 1 1285 174 119 ALA CA C 52.629 0.300 1 1286 174 119 ALA CB C 20.711 0.300 1 1287 174 119 ALA N N 116.042 0.300 1 1288 175 120 ALA H H 9.090 0.030 1 1289 175 120 ALA HA H 3.593 0.030 1 1290 175 120 ALA HB H 1.391 0.030 1 1291 175 120 ALA C C 177.596 0.300 1 1292 175 120 ALA CA C 57.695 0.300 1 1293 175 120 ALA CB C 18.257 0.300 1 1294 175 120 ALA N N 125.370 0.300 1 1295 176 121 ASN H H 8.500 0.030 1 1296 176 121 ASN HA H 4.258 0.030 1 1297 176 121 ASN HB2 H 2.872 0.030 2 1298 176 121 ASN HB3 H 2.756 0.030 2 1299 176 121 ASN HD21 H 7.679 0.030 2 1300 176 121 ASN HD22 H 7.005 0.030 2 1301 176 121 ASN C C 178.250 0.300 1 1302 176 121 ASN CA C 56.108 0.300 1 1303 176 121 ASN CB C 37.200 0.300 1 1304 176 121 ASN N N 116.653 0.300 1 1305 176 121 ASN ND2 N 111.299 0.300 1 1306 177 122 VAL H H 8.200 0.030 1 1307 177 122 VAL HA H 2.188 0.030 1 1308 177 122 VAL HB H 1.060 0.030 1 1309 177 122 VAL HG1 H -0.179 0.030 1 1310 177 122 VAL HG2 H 0.159 0.030 1 1311 177 122 VAL C C 176.239 0.300 1 1312 177 122 VAL CA C 65.343 0.300 1 1313 177 122 VAL CB C 31.629 0.300 1 1314 177 122 VAL CG1 C 20.844 0.300 2 1315 177 122 VAL CG2 C 23.023 0.300 2 1316 177 122 VAL N N 121.984 0.300 1 1317 178 123 SER H H 7.311 0.030 1 1318 178 123 SER HA H 3.221 0.030 1 1319 178 123 SER HB2 H 3.667 0.030 2 1320 178 123 SER HB3 H 3.588 0.030 2 1321 178 123 SER C C 176.288 0.300 1 1322 178 123 SER CA C 61.286 0.300 1 1323 178 123 SER CB C 63.394 0.300 1 1324 178 123 SER N N 112.229 0.300 1 1325 179 124 GLU H H 7.979 0.030 1 1326 179 124 GLU HA H 3.640 0.030 1 1327 179 124 GLU HB2 H 1.754 0.030 2 1328 179 124 GLU HB3 H 1.493 0.030 2 1329 179 124 GLU HG2 H 1.830 0.030 2 1330 179 124 GLU HG3 H 1.670 0.030 2 1331 179 124 GLU C C 178.298 0.300 1 1332 179 124 GLU CA C 59.971 0.300 1 1333 179 124 GLU CB C 29.394 0.300 1 1334 179 124 GLU CG C 35.925 0.300 1 1335 179 124 GLU N N 122.726 0.300 1 1336 180 125 ALA H H 7.490 0.030 1 1337 180 125 ALA HA H 4.108 0.030 1 1338 180 125 ALA HB H 1.439 0.030 1 1339 180 125 ALA C C 180.672 0.300 1 1340 180 125 ALA CA C 54.823 0.300 1 1341 180 125 ALA CB C 18.858 0.300 1 1342 180 125 ALA N N 121.488 0.300 1 1343 181 126 VAL H H 8.118 0.030 1 1344 181 126 VAL HA H 3.325 0.030 1 1345 181 126 VAL HB H 1.871 0.030 1 1346 181 126 VAL HG1 H 0.725 0.030 1 1347 181 126 VAL HG2 H 0.745 0.030 1 1348 181 126 VAL C C 177.523 0.300 1 1349 181 126 VAL CA C 66.928 0.300 1 1350 181 126 VAL CB C 31.244 0.300 1 1351 181 126 VAL CG1 C 23.560 0.300 2 1352 181 126 VAL CG2 C 23.143 0.300 2 1353 181 126 VAL N N 119.481 0.300 1 1354 182 127 GLN H H 8.230 0.030 1 1355 182 127 GLN HA H 3.429 0.030 1 1356 182 127 GLN HB2 H 1.738 0.030 2 1357 182 127 GLN HB3 H 1.928 0.030 2 1358 182 127 GLN HE21 H 6.456 0.030 2 1359 182 127 GLN HE22 H 5.947 0.030 2 1360 182 127 GLN HG2 H 1.559 0.030 2 1361 182 127 GLN HG3 H 0.914 0.030 2 1362 182 127 GLN C C 178.686 0.300 1 1363 182 127 GLN CA C 60.334 0.300 1 1364 182 127 GLN CB C 28.491 0.300 1 1365 182 127 GLN CG C 32.697 0.300 1 1366 182 127 GLN N N 120.995 0.300 1 1367 182 127 GLN NE2 N 108.499 0.300 1 1368 183 128 ALA H H 8.115 0.030 1 1369 183 128 ALA HA H 3.998 0.030 1 1370 183 128 ALA HB H 1.398 0.030 1 1371 183 128 ALA C C 180.406 0.300 1 1372 183 128 ALA CA C 54.801 0.300 1 1373 183 128 ALA CB C 17.795 0.300 1 1374 183 128 ALA N N 121.344 0.300 1 1375 184 129 ALA H H 7.570 0.030 1 1376 184 129 ALA HA H 4.166 0.030 1 1377 184 129 ALA HB H 1.355 0.030 1 1378 184 129 ALA C C 179.073 0.300 1 1379 184 129 ALA CA C 54.141 0.300 1 1380 184 129 ALA CB C 17.662 0.300 1 1381 184 129 ALA N N 120.893 0.300 1 1382 185 130 CYS H H 7.513 0.030 1 1383 185 130 CYS HA H 4.126 0.030 1 1384 185 130 CYS HB2 H 3.334 0.030 2 1385 185 130 CYS HB3 H 3.212 0.030 2 1386 185 130 CYS C C 174.883 0.300 1 1387 185 130 CYS CA C 61.862 0.300 1 1388 185 130 CYS CB C 28.526 0.300 1 1389 185 130 CYS N N 114.315 0.300 1 1390 186 131 SER H H 7.738 0.030 1 1391 186 131 SER HA H 4.409 0.030 1 1392 186 131 SER HB2 H 3.950 0.030 1 1393 186 131 SER HB3 H 3.950 0.030 1 1394 186 131 SER C C 175.004 0.300 1 1395 186 131 SER CA C 59.229 0.300 1 1396 186 131 SER CB C 64.179 0.300 1 1397 186 131 SER N N 112.130 0.300 1 1398 187 132 GLY H H 7.930 0.030 1 1399 187 132 GLY HA2 H 4.141 0.030 2 1400 187 132 GLY HA3 H 4.073 0.030 2 1401 187 132 GLY CA C 44.991 0.300 1 1402 187 132 GLY N N 110.009 0.300 1 1403 188 133 PRO HA H 4.458 0.030 1 1404 188 133 PRO HB2 H 1.939 0.030 2 1405 188 133 PRO HB3 H 2.259 0.030 2 1406 188 133 PRO HD2 H 3.603 0.030 1 1407 188 133 PRO HD3 H 3.603 0.030 1 1408 188 133 PRO HG2 H 1.987 0.030 1 1409 188 133 PRO HG3 H 1.987 0.030 1 1410 188 133 PRO C C 177.353 0.300 1 1411 188 133 PRO CA C 63.111 0.300 1 1412 188 133 PRO CB C 32.021 0.300 1 1413 188 133 PRO CD C 49.942 0.300 1 1414 188 133 PRO CG C 27.171 0.300 1 1415 189 134 SER H H 8.514 0.030 1 1416 189 134 SER CA C 58.080 0.300 1 1417 189 134 SER CB C 64.081 0.300 1 1418 189 134 SER N N 116.401 0.300 1 stop_ save_