data_15554 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and Chemical Shift Assignment for the Eps15EH2-Stonin2 complex ; _BMRB_accession_number 15554 _BMRB_flat_file_name bmr15554.str _Entry_type original _Submission_date 2007-11-12 _Accession_date 2007-11-12 _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 Rumpf Julia . . 2 Simon Bernd . . 3 Jung Nadja . . 4 Maritzen Tanja . . 5 Haucke Volker . . 6 Sattler Michael . . 7 Groemping Yvonne . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 836 "13C chemical shifts" 483 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-21 update BMRB 'add PubMed ID' 2008-06-05 update BMRB 'complete entry citation' 2008-01-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_bmrb _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N chemical shift assignments for the Eps15-EH2-stonin 2 complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636924 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rumpf Julia . . 2 Simon Bernd . . 3 Groemping Yvonne . . 4 Sattler Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 55 _Page_last 58 _Year 2008 _Details . loop_ _Keyword 'EH domains' endocytosis Eps15 'protein-protein interactions' Stonin2 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Citation_pdb _Saveframe_category citation _Citation_full . _Citation_title 'Structure of the Eps15 Stonin2 complex' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rumpf Julia . . 2 Simon Bernd . . 3 Jung Nadja . . 4 Maritzen Tanja . . 5 Haucke Volker . . 6 Sattler Michael . . 7 Groemping Yvonne . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'EH domains' endocytosis Eps15 'protein-protein interactions' Stonin2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Eps15 EH2-Stonin2 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EH2 $EH2 Stonin $Stonin_peptide CA $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function endocytosis stop_ _Database_query_date . _Details 'Second EH domain of Eps15 in complex with the NPF region of Stonin 2' save_ ######################## # Monomeric polymers # ######################## save_EH2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EH2 _Molecular_mass 10985.906 _Mol_thiol_state 'all free' loop_ _Biological_function endocytosis stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GPLGSPWAVKPEDKAKYDAI FDSLSPVNGFLSGDKVKPVL LNSKLPVDILGRVWELSDID HDGMLDRDEFAVAMFLVYCA LEKEPVPMSLPPALVPPSKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 116 GLY 2 117 PRO 3 118 LEU 4 119 GLY 5 120 SER 6 121 PRO 7 122 TRP 8 123 ALA 9 124 VAL 10 125 LYS 11 126 PRO 12 127 GLU 13 128 ASP 14 129 LYS 15 130 ALA 16 131 LYS 17 132 TYR 18 133 ASP 19 134 ALA 20 135 ILE 21 136 PHE 22 137 ASP 23 138 SER 24 139 LEU 25 140 SER 26 141 PRO 27 142 VAL 28 143 ASN 29 144 GLY 30 145 PHE 31 146 LEU 32 147 SER 33 148 GLY 34 149 ASP 35 150 LYS 36 151 VAL 37 152 LYS 38 153 PRO 39 154 VAL 40 155 LEU 41 156 LEU 42 157 ASN 43 158 SER 44 159 LYS 45 160 LEU 46 161 PRO 47 162 VAL 48 163 ASP 49 164 ILE 50 165 LEU 51 166 GLY 52 167 ARG 53 168 VAL 54 169 TRP 55 170 GLU 56 171 LEU 57 172 SER 58 173 ASP 59 174 ILE 60 175 ASP 61 176 HIS 62 177 ASP 63 178 GLY 64 179 MET 65 180 LEU 66 181 ASP 67 182 ARG 68 183 ASP 69 184 GLU 70 185 PHE 71 186 ALA 72 187 VAL 73 188 ALA 74 189 MET 75 190 PHE 76 191 LEU 77 192 VAL 78 193 TYR 79 194 CYS 80 195 ALA 81 196 LEU 82 197 GLU 83 198 LYS 84 199 GLU 85 200 PRO 86 201 VAL 87 202 PRO 88 203 MET 89 204 SER 90 205 LEU 91 206 PRO 92 207 PRO 93 208 ALA 94 209 LEU 95 210 VAL 96 211 PRO 97 212 PRO 98 213 SER 99 214 LYS 100 215 ARG 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 BMRB 4184 "eps15 homology domain" 95.00 95 100.00 100.00 2.85e-59 PDB 1EH2 "Structure Of The Second Eps15 Homology Domain Of Human Eps15, Nmr, 20 Structures" 97.00 106 100.00 100.00 1.05e-60 PDB 1F8H "Structure Of The Second Eps15 Homology Domain Of Human Eps15 In Complex With Ptgssstnpfr" 95.00 95 100.00 100.00 2.85e-59 PDB 1FF1 "Structure Of The Second Eps15 Homology Domain Of Human Eps15 In Complex With Ptgssstnpfl" 94.00 95 100.00 100.00 2.63e-58 PDB 2JXC "Structure Of The Eps15-eh2 Stonin2 Complex" 100.00 100 100.00 100.00 5.64e-63 GB ELK26712 "Epidermal growth factor receptor substrate 15 [Myotis davidii]" 95.00 699 98.95 98.95 1.09e-53 stop_ save_ save_Stonin_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Stonin_peptide _Molecular_mass 4998.502 _Mol_thiol_state 'not present' loop_ _Biological_function endocytosis stop_ _Details . _Residue_count 45 _Mol_residue_sequence ; GPLGSPSVTEASPWRATNPF LNETLQDVQPSPINPFSAFF EEQER ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 296 GLY 2 297 PRO 3 298 LEU 4 299 GLY 5 300 SER 6 301 PRO 7 302 SER 8 303 VAL 9 304 THR 10 305 GLU 11 306 ALA 12 307 SER 13 308 PRO 14 309 TRP 15 310 ARG 16 311 ALA 17 312 THR 18 313 ASN 19 314 PRO 20 315 PHE 21 316 LEU 22 317 ASN 23 318 GLU 24 319 THR 25 320 LEU 26 321 GLN 27 322 ASP 28 323 VAL 29 324 GLN 30 325 PRO 31 326 SER 32 327 PRO 33 328 ILE 34 329 ASN 35 330 PRO 36 331 PHE 37 332 SER 38 333 ALA 39 334 PHE 40 335 PHE 41 336 GLU 42 337 GLU 43 338 GLN 44 339 GLU 45 340 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2JXC "Structure Of The Eps15-eh2 Stonin2 Complex" 100.00 45 100.00 100.00 1.88e-22 GB AAH69359 "Stonin 2 [Homo sapiens]" 91.11 905 97.56 100.00 3.23e-17 GB AAK57558 "stonin 2 [Homo sapiens]" 91.11 702 97.56 100.00 2.56e-17 GB AAL47008 "endocytosis protein HSTNB variant [Homo sapiens]" 91.11 905 97.56 100.00 3.33e-17 REF NP_001243359 "stonin-2 isoform 2 [Homo sapiens]" 91.11 920 97.56 100.00 2.88e-17 REF NP_149095 "stonin-2 isoform 1 [Homo sapiens]" 91.11 905 97.56 100.00 3.33e-17 REF XP_002825044 "PREDICTED: LOW QUALITY PROTEIN: stonin-2 [Pongo abelii]" 88.89 776 97.50 97.50 3.31e-16 REF XP_004624764 "PREDICTED: stonin-2 [Octodon degus]" 86.67 894 97.44 97.44 1.85e-15 REF XP_005390296 "PREDICTED: stonin-2 [Chinchilla lanigera]" 86.67 894 97.44 97.44 1.96e-15 SP Q8WXE9 "RecName: Full=Stonin-2; AltName: Full=Stoned B [Homo sapiens]" 91.11 905 97.56 100.00 3.33e-17 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $EH2 Human 9606 Eukaryota Metazoa Homo sapiens EPS15 $Stonin_peptide Human 9606 Eukaryota Metazoa Homo sapiens STN2 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $EH2 'recombinant technology' . Escherichia coli 'BL 21' 'DE 3' pGEX6P1 $Stonin_peptide 'recombinant technology' . Escherichia coli 'BL 21' 'DE 3' pGEX6P1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; in 10 mM perdeuterated Tris 100 mM NaCl 2 mM CaCl2 1 mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EH2 0.5-1 mM '[U-99% 13C; U-99% 15N]' $Stonin_peptide 0.5-1 mM 'natural abundance' $CA 2 mM 'natural abundance' 'perdeuterated Tris' 10 mM 'natural abundance' NaCl 100 mM 'natural abundance' CaCl2 2 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; in 10 mM perdeuterated Tris pH 7 100 mM NaCl 2 mM CaCl2 1 mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EH2 0.5-1 mM 'natural abundance' $Stonin_peptide 0.5-1 mM '[U-99% 13C; U-99% 15N]' $CA 2 mM 'natural abundance' 'perdeuterated Tris' 10 mM 'natural abundance' NaCl 100 mM 'natural abundance' CaCl2 2 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 10 mM perdeuterated Tris pH 7 100 mM NaCl 2 mM CaCl2 1 mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EH2 0.5-1 mM '[U-99% 13C; U-99% 15N]' $Stonin_peptide 0.5-1 mM 'natural abundance' $CA 2 mM 'natural abundance' 'perdeuterated Tris' 10 mM 'natural abundance' NaCl 100 mM 'natural abundance' CaCl2 2 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 10 mM perdeuterated Tris pH 7 100 mM NaCl 2 mM CaCl2 1 mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EH2 0.5-1 mM 'natural abundance' $Stonin_peptide 0.5-1 mM '[U-99% 13C; U-99% 15N]' $CA 2 mM 'natural abundance' 'perdeuterated Tris' 10 mM 'natural abundance' NaCl 100 mM 'natural abundance' CaCl2 2 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details ; 10 mM perdeuterated Tris pH 7 100 mM NaCl 2 mM CaCl2 1 mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EH2 0.6 mM 'natural abundance' $Stonin_peptide 0.6 mM 'natural abundance' $CA 2 mM 'natural abundance' 'perdeuterated Tris' 10 mM 'natural abundance' NaCl 100 mM 'natural abundance' CaCl2 2 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_5 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 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' 0.1 . M pH 7 . pH pressure 1 . atm temperature 295 . 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 water C 13 protons ppm 4.803 internal indirect . . . 0.251449530 water H 1 protons ppm 4.803 internal direct . . . 1 water N 15 protons ppm 4.803 internal indirect . . . 0.1011329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView $TOPSPIN $NMRPipe stop_ loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D C(CO)NH' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D H(CCO)NH' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_5 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name EH2 _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 1 117 2 PRO HA H 4.508 0.02 1 2 117 2 PRO HB2 H 2.379 0.02 2 3 117 2 PRO HB3 H 2.373 0.02 2 4 117 2 PRO HD2 H 3.600 0.02 2 5 117 2 PRO HD3 H 3.601 0.02 2 6 117 2 PRO HG2 H 2.082 0.02 2 7 117 2 PRO HG3 H 1.895 0.02 2 8 117 2 PRO CA C 63.081 0.2 1 9 117 2 PRO CB C 32.372 0.2 1 10 117 2 PRO CD C 49.630 0.2 1 11 117 2 PRO CG C 28.057 0.2 1 12 118 3 LEU H H 8.624 0.02 1 13 118 3 LEU HA H 4.368 0.02 1 14 118 3 LEU HB2 H 1.662 0.02 2 15 118 3 LEU HB3 H 1.633 0.02 2 16 118 3 LEU HD1 H 0.920 0.02 2 17 118 3 LEU HD2 H 0.855 0.02 2 18 118 3 LEU HG H 1.565 0.02 1 19 118 3 LEU CA C 53.014 0.2 1 20 118 3 LEU CB C 42.016 0.2 1 21 118 3 LEU CD1 C 24.758 0.2 2 22 118 3 LEU CD2 C 23.743 0.2 2 23 118 3 LEU N N 122.272 0.2 1 24 119 4 GLY H H 8.393 0.02 1 25 119 4 GLY HA2 H 3.980 0.02 2 26 119 4 GLY HA3 H 3.980 0.02 2 27 119 4 GLY CA C 44.808 0.2 1 28 119 4 GLY N N 109.640 0.2 1 29 120 5 SER H H 8.252 0.02 1 30 120 5 SER HA H 4.750 0.02 1 31 120 5 SER HB2 H 3.898 0.02 2 32 120 5 SER HB3 H 3.761 0.02 2 33 120 5 SER CA C 56.736 0.2 1 34 120 5 SER CB C 63.081 0.2 1 35 120 5 SER N N 117.026 0.2 1 36 121 6 PRO HA H 4.504 0.02 1 37 121 6 PRO HB2 H 2.331 0.02 2 38 121 6 PRO HB3 H 1.904 0.02 2 39 121 6 PRO HD2 H 3.886 0.02 2 40 121 6 PRO HD3 H 3.705 0.02 2 41 121 6 PRO HG2 H 2.068 0.02 2 42 121 6 PRO HG3 H 2.070 0.02 2 43 121 6 PRO CA C 63.334 0.2 1 44 121 6 PRO CB C 32.118 0.2 1 45 121 6 PRO CD C 50.899 0.2 1 46 121 6 PRO CG C 27.550 0.2 1 47 122 7 TRP H H 8.903 0.02 1 48 122 7 TRP HA H 5.048 0.02 1 49 122 7 TRP HB2 H 3.482 0.02 2 50 122 7 TRP HB3 H 2.893 0.02 2 51 122 7 TRP HD1 H 7.851 0.02 1 52 122 7 TRP HE1 H 9.372 0.02 1 53 122 7 TRP HE3 H 7.746 0.02 1 54 122 7 TRP HH2 H 7.165 0.02 1 55 122 7 TRP HZ2 H 7.470 0.02 1 56 122 7 TRP HZ3 H 7.030 0.02 1 57 122 7 TRP CA C 54.452 0.2 1 58 122 7 TRP CB C 29.834 0.2 1 59 122 7 TRP CD1 C 125.260 0.2 1 60 122 7 TRP CE3 C 122.722 0.2 1 61 122 7 TRP CH2 C 125.006 0.2 1 62 122 7 TRP CZ2 C 113.500 0.2 1 63 122 7 TRP CZ3 C 121.453 0.2 1 64 122 7 TRP N N 123.342 0.2 1 65 122 7 TRP NE1 N 127.410 0.2 1 66 123 8 ALA H H 8.015 0.02 1 67 123 8 ALA HA H 3.864 0.02 1 68 123 8 ALA HB H 0.946 0.02 1 69 123 8 ALA CA C 53.436 0.2 1 70 123 8 ALA CB C 19.174 0.2 1 71 123 8 ALA N N 128.053 0.2 1 72 124 9 VAL H H 5.029 0.02 1 73 124 9 VAL HA H 3.497 0.02 1 74 124 9 VAL HB H -0.526 0.02 1 75 124 9 VAL HG1 H 0.483 0.02 2 76 124 9 VAL HG2 H -0.035 0.02 2 77 124 9 VAL CA C 61.304 0.2 1 78 124 9 VAL CB C 29.834 0.2 1 79 124 9 VAL CG1 C 21.966 0.2 2 80 124 9 VAL CG2 C 20.443 0.2 2 81 124 9 VAL N N 113.760 0.2 1 82 125 10 LYS H H 8.812 0.02 1 83 125 10 LYS HA H 4.383 0.02 1 84 125 10 LYS HB2 H 2.035 0.02 2 85 125 10 LYS HB3 H 1.744 0.02 2 86 125 10 LYS HD2 H 1.733 0.02 2 87 125 10 LYS HD3 H 1.736 0.02 2 88 125 10 LYS HE2 H 3.053 0.02 2 89 125 10 LYS HE3 H 3.055 0.02 2 90 125 10 LYS HG2 H 1.594 0.02 2 91 125 10 LYS HG3 H 1.588 0.02 2 92 125 10 LYS CA C 54.959 0.2 1 93 125 10 LYS CB C 30.849 0.2 1 94 125 10 LYS CD C 28.819 0.2 1 95 125 10 LYS CE C 42.016 0.2 1 96 125 10 LYS CG C 25.266 0.2 1 97 125 10 LYS N N 129.016 0.2 1 98 126 11 PRO HA H 4.229 0.02 1 99 126 11 PRO HB2 H 2.419 0.02 2 100 126 11 PRO HB3 H 1.954 0.02 2 101 126 11 PRO HD2 H 3.886 0.02 2 102 126 11 PRO HD3 H 3.869 0.02 2 103 126 11 PRO HG2 H 2.199 0.02 2 104 126 11 PRO HG3 H 2.195 0.02 2 105 126 11 PRO CA C 65.872 0.2 1 106 126 11 PRO CB C 32.118 0.2 1 107 126 11 PRO CD C 50.645 0.2 1 108 126 11 PRO CG C 27.803 0.2 1 109 127 12 GLU H H 9.749 0.02 1 110 127 12 GLU HA H 4.075 0.02 1 111 127 12 GLU HB2 H 1.926 0.02 2 112 127 12 GLU HB3 H 1.925 0.02 2 113 127 12 GLU HG2 H 2.268 0.02 2 114 127 12 GLU HG3 H 2.268 0.02 2 115 127 12 GLU CA C 59.464 0.2 1 116 127 12 GLU CB C 28.565 0.2 1 117 127 12 GLU CG C 36.179 0.2 1 118 127 12 GLU N N 117.669 0.2 1 119 128 13 ASP H H 6.907 0.02 1 120 128 13 ASP HA H 4.115 0.02 1 121 128 13 ASP HB2 H 2.181 0.02 2 122 128 13 ASP HB3 H 2.438 0.02 2 123 128 13 ASP CA C 56.482 0.2 1 124 128 13 ASP CB C 40.239 0.2 1 125 128 13 ASP N N 120.880 0.2 1 126 129 14 LYS H H 8.162 0.02 1 127 129 14 LYS HA H 3.645 0.02 1 128 129 14 LYS HB2 H 2.064 0.02 2 129 129 14 LYS HB3 H 1.519 0.02 2 130 129 14 LYS HD2 H 2.386 0.02 2 131 129 14 LYS HD3 H 1.515 0.02 2 132 129 14 LYS HE2 H 3.312 0.02 2 133 129 14 LYS HE3 H 3.312 0.02 2 134 129 14 LYS HG2 H 1.705 0.02 2 135 129 14 LYS HG3 H 1.627 0.02 2 136 129 14 LYS CA C 58.512 0.2 1 137 129 14 LYS CB C 32.118 0.2 1 138 129 14 LYS CD C 27.803 0.2 1 139 129 14 LYS CE C 42.523 0.2 1 140 129 14 LYS CG C 24.250 0.2 1 141 129 14 LYS N N 120.161 0.2 1 142 130 15 ALA H H 7.836 0.02 1 143 130 15 ALA HA H 4.254 0.02 1 144 130 15 ALA HB H 1.432 0.02 1 145 130 15 ALA CA C 55.213 0.2 1 146 130 15 ALA CB C 17.906 0.2 1 147 130 15 ALA N N 118.204 0.2 1 148 131 16 LYS H H 7.055 0.02 1 149 131 16 LYS HA H 4.128 0.02 1 150 131 16 LYS HB2 H 1.893 0.02 2 151 131 16 LYS HB3 H 1.897 0.02 2 152 131 16 LYS HD2 H 1.666 0.02 2 153 131 16 LYS HD3 H 1.669 0.02 2 154 131 16 LYS HE2 H 2.908 0.02 2 155 131 16 LYS HE3 H 2.912 0.02 2 156 131 16 LYS HG2 H 1.671 0.02 2 157 131 16 LYS HG3 H 1.386 0.02 2 158 131 16 LYS CA C 59.274 0.2 1 159 131 16 LYS CB C 31.864 0.2 1 160 131 16 LYS CD C 29.580 0.2 1 161 131 16 LYS CE C 42.016 0.2 1 162 131 16 LYS CG C 25.012 0.2 1 163 131 16 LYS N N 119.703 0.2 1 164 132 17 TYR H H 8.606 0.02 1 165 132 17 TYR HA H 4.812 0.02 1 166 132 17 TYR HB2 H 3.322 0.02 2 167 132 17 TYR HB3 H 3.510 0.02 2 168 132 17 TYR HD1 H 6.827 0.02 3 169 132 17 TYR HE1 H 6.712 0.02 3 170 132 17 TYR CA C 58.005 0.2 1 171 132 17 TYR CB C 35.417 0.2 1 172 132 17 TYR CD1 C 131.351 0.2 3 173 132 17 TYR CE1 C 118.154 0.2 3 174 132 17 TYR N N 122.165 0.2 1 175 133 18 ASP H H 9.404 0.02 1 176 133 18 ASP HA H 4.456 0.02 1 177 133 18 ASP HB2 H 2.975 0.02 2 178 133 18 ASP HB3 H 2.678 0.02 2 179 133 18 ASP CA C 57.497 0.2 1 180 133 18 ASP CB C 40.493 0.2 1 181 133 18 ASP N N 121.201 0.2 1 182 134 19 ALA H H 7.360 0.02 1 183 134 19 ALA HA H 4.383 0.02 1 184 134 19 ALA HB H 0.934 0.02 1 185 134 19 ALA CA C 54.959 0.2 1 186 134 19 ALA CB C 17.906 0.2 1 187 134 19 ALA N N 120.666 0.2 1 188 135 20 ILE H H 7.778 0.02 1 189 135 20 ILE HA H 3.795 0.02 1 190 135 20 ILE HB H 2.466 0.02 1 191 135 20 ILE HD1 H 1.106 0.02 1 192 135 20 ILE HG12 H 1.234 0.02 2 193 135 20 ILE HG13 H 2.091 0.02 2 194 135 20 ILE HG2 H 1.106 0.02 1 195 135 20 ILE CA C 64.857 0.2 1 196 135 20 ILE CB C 38.463 0.2 1 197 135 20 ILE CD1 C 18.159 0.2 1 198 135 20 ILE CG1 C 28.311 0.2 1 199 135 20 ILE CG2 C 14.352 0.2 1 200 135 20 ILE N N 120.238 0.2 1 201 136 21 PHE H H 9.262 0.02 1 202 136 21 PHE HA H 3.195 0.02 1 203 136 21 PHE HB2 H 3.241 0.02 2 204 136 21 PHE HB3 H 3.128 0.02 2 205 136 21 PHE HD1 H 6.952 0.02 3 206 136 21 PHE HE1 H 6.953 0.02 3 207 136 21 PHE HZ H 7.181 0.02 1 208 136 21 PHE CA C 62.065 0.2 1 209 136 21 PHE CB C 38.970 0.2 1 210 136 21 PHE CD1 C 131.351 0.2 3 211 136 21 PHE CE1 C 131.351 0.2 3 212 136 21 PHE CZ C 129.574 0.2 1 213 136 21 PHE N N 123.878 0.2 1 214 137 22 ASP H H 8.410 0.02 1 215 137 22 ASP HA H 4.287 0.02 1 216 137 22 ASP HB2 H 2.771 0.02 2 217 137 22 ASP HB3 H 2.762 0.02 2 218 137 22 ASP CA C 57.497 0.2 1 219 137 22 ASP CB C 40.493 0.2 1 220 137 22 ASP N N 115.420 0.2 1 221 138 23 SER H H 7.946 0.02 1 222 138 23 SER HA H 4.475 0.02 1 223 138 23 SER HB2 H 4.132 0.02 2 224 138 23 SER HB3 H 4.024 0.02 2 225 138 23 SER CA C 60.543 0.2 1 226 138 23 SER CB C 63.334 0.2 1 227 138 23 SER N N 117.133 0.2 1 228 139 24 LEU H H 7.338 0.02 1 229 139 24 LEU HA H 4.333 0.02 1 230 139 24 LEU HB2 H 1.475 0.02 2 231 139 24 LEU HB3 H 1.653 0.02 2 232 139 24 LEU HD1 H 0.976 0.02 2 233 139 24 LEU HD2 H 0.876 0.02 2 234 139 24 LEU HG H 1.783 0.02 1 235 139 24 LEU CA C 54.452 0.2 1 236 139 24 LEU CB C 42.016 0.2 1 237 139 24 LEU CD1 C 26.281 0.2 2 238 139 24 LEU CD2 C 23.743 0.2 2 239 139 24 LEU CG C 26.281 0.2 1 240 139 24 LEU N N 123.003 0.2 1 241 140 25 SER H H 7.698 0.02 1 242 140 25 SER HA H 4.036 0.02 1 243 140 25 SER HB2 H 4.011 0.02 2 244 140 25 SER HB3 H 4.008 0.02 2 245 140 25 SER HG H 1.601 0.02 1 246 140 25 SER CA C 58.005 0.2 1 247 140 25 SER CB C 60.796 0.2 1 248 140 25 SER N N 109.104 0.2 1 249 141 26 PRO HA H 4.114 0.02 1 250 141 26 PRO HB2 H 1.209 0.02 2 251 141 26 PRO HB3 H 1.509 0.02 2 252 141 26 PRO HD2 H 3.648 0.02 2 253 141 26 PRO HD3 H 3.583 0.02 2 254 141 26 PRO HG2 H 1.829 0.02 2 255 141 26 PRO HG3 H 1.492 0.02 2 256 141 26 PRO CA C 62.827 0.2 1 257 141 26 PRO CB C 32.650 0.2 1 258 141 26 PRO CD C 50.391 0.2 1 259 141 26 PRO CG C 27.296 0.2 1 260 142 27 VAL H H 8.410 0.02 1 261 142 27 VAL HA H 4.297 0.02 1 262 142 27 VAL HB H 2.016 0.02 1 263 142 27 VAL HG1 H 1.016 0.02 2 264 142 27 VAL HG2 H 1.020 0.02 2 265 142 27 VAL CA C 61.812 0.2 1 266 142 27 VAL CB C 33.641 0.2 1 267 142 27 VAL CG1 C 20.878 0.2 1 268 142 27 VAL CG2 C 20.799 0.2 1 269 142 27 VAL N N 120.987 0.2 1 270 143 28 ASN H H 9.694 0.02 1 271 143 28 ASN HA H 4.425 0.02 1 272 143 28 ASN HB2 H 3.330 0.02 2 273 143 28 ASN HB3 H 2.980 0.02 2 274 143 28 ASN HD21 H 7.843 0.02 2 275 143 28 ASN HD22 H 7.020 0.02 2 276 143 28 ASN CA C 54.198 0.2 1 277 143 28 ASN CB C 37.701 0.2 1 278 143 28 ASN N N 127.946 0.2 1 279 143 28 ASN ND2 N 113.065 0.2 1 280 144 29 GLY H H 8.410 0.02 1 281 144 29 GLY HA2 H 3.582 0.02 2 282 144 29 GLY HA3 H 3.976 0.02 2 283 144 29 GLY CA C 44.808 0.2 1 284 144 29 GLY N N 99.790 0.2 1 285 145 30 PHE H H 7.749 0.02 1 286 145 30 PHE HA H 5.476 0.02 1 287 145 30 PHE HB2 H 3.030 0.02 2 288 145 30 PHE HB3 H 3.025 0.02 2 289 145 30 PHE HD1 H 7.185 0.02 3 290 145 30 PHE HE1 H 7.566 0.02 3 291 145 30 PHE HZ H 7.400 0.02 1 292 145 30 PHE CA C 56.736 0.2 1 293 145 30 PHE CB C 44.554 0.2 1 294 145 30 PHE CD1 C 132.620 0.2 3 295 145 30 PHE CE1 C 131.858 0.2 3 296 145 30 PHE CZ C 129.574 0.2 1 297 145 30 PHE N N 115.206 0.2 1 298 146 31 LEU H H 9.492 0.02 1 299 146 31 LEU HA H 4.765 0.02 1 300 146 31 LEU HB2 H 1.290 0.02 2 301 146 31 LEU HB3 H 1.820 0.02 2 302 146 31 LEU HD1 H 0.290 0.02 2 303 146 31 LEU HD2 H 0.333 0.02 2 304 146 31 LEU HG H 0.878 0.02 1 305 146 31 LEU CA C 52.929 0.2 1 306 146 31 LEU CB C 45.569 0.2 1 307 146 31 LEU CD1 C 28.819 0.2 2 308 146 31 LEU CD2 C 24.250 0.2 1 309 146 31 LEU CG C 25.773 0.2 1 310 146 31 LEU N N 121.522 0.2 1 311 147 32 SER H H 7.822 0.02 1 312 147 32 SER HA H 4.951 0.02 1 313 147 32 SER HB2 H 4.472 0.02 2 314 147 32 SER HB3 H 4.037 0.02 2 315 147 32 SER CA C 57.243 0.2 1 316 147 32 SER CB C 64.603 0.2 1 317 147 32 SER N N 116.938 0.2 1 318 148 33 GLY H H 9.072 0.02 1 319 148 33 GLY HA2 H 3.689 0.02 2 320 148 33 GLY HA3 H 3.690 0.02 2 321 148 33 GLY CA C 48.614 0.2 1 322 148 33 GLY N N 109.104 0.2 1 323 149 34 ASP H H 8.600 0.02 1 324 149 34 ASP HA H 4.222 0.02 1 325 149 34 ASP HB2 H 2.655 0.02 2 326 149 34 ASP HB3 H 2.571 0.02 2 327 149 34 ASP CA C 56.228 0.2 1 328 149 34 ASP CB C 39.985 0.2 1 329 149 34 ASP N N 117.454 0.2 1 330 150 35 LYS H H 7.453 0.02 1 331 150 35 LYS HA H 4.352 0.02 1 332 150 35 LYS HB2 H 1.996 0.02 2 333 150 35 LYS HB3 H 1.858 0.02 2 334 150 35 LYS HD2 H 1.952 0.02 2 335 150 35 LYS HD3 H 1.734 0.02 2 336 150 35 LYS HE2 H 3.062 0.02 2 337 150 35 LYS HE3 H 3.059 0.02 2 338 150 35 LYS HG2 H 1.526 0.02 2 339 150 35 LYS HG3 H 1.528 0.02 2 340 150 35 LYS CA C 57.497 0.2 1 341 150 35 LYS CB C 34.402 0.2 1 342 150 35 LYS CD C 29.834 0.2 1 343 150 35 LYS CE C 42.270 0.2 1 344 150 35 LYS CG C 26.027 0.2 1 345 150 35 LYS N N 117.347 0.2 1 346 151 36 VAL H H 7.691 0.02 1 347 151 36 VAL HA H 3.979 0.02 1 348 151 36 VAL HB H 2.333 0.02 1 349 151 36 VAL HG1 H 1.375 0.02 2 350 151 36 VAL HG2 H 1.378 0.02 2 351 151 36 VAL CA C 65.365 0.2 1 352 151 36 VAL CB C 33.894 0.2 1 353 151 36 VAL CG1 C 24.491 0.2 2 354 151 36 VAL CG2 C 22.220 0.2 2 355 151 36 VAL N N 116.919 0.2 1 356 152 37 LYS H H 8.610 0.02 1 357 152 37 LYS HA H 4.100 0.02 1 358 152 37 LYS HB2 H 1.795 0.02 2 359 152 37 LYS HD2 H 1.103 0.02 2 360 152 37 LYS HD3 H 1.003 0.02 2 361 152 37 LYS HE2 H 2.650 0.02 2 362 152 37 LYS HE3 H 2.563 0.02 2 363 152 37 LYS HG2 H 0.864 0.02 2 364 152 37 LYS HG3 H 0.869 0.02 2 365 152 37 LYS CA C 58.005 0.2 1 366 152 37 LYS CB C 29.834 0.2 1 367 152 37 LYS CD C 29.580 0.2 1 368 152 37 LYS CE C 41.508 0.2 1 369 152 37 LYS CG C 26.027 0.2 1 370 152 37 LYS N N 120.916 0.2 1 371 153 38 PRO HA H 4.248 0.02 1 372 153 38 PRO HB2 H 2.595 0.02 2 373 153 38 PRO HB3 H 1.872 0.02 2 374 153 38 PRO HD2 H 3.635 0.02 2 375 153 38 PRO HD3 H 3.529 0.02 2 376 153 38 PRO HG2 H 2.172 0.02 2 377 153 38 PRO HG3 H 2.040 0.02 2 378 153 38 PRO CA C 66.380 0.2 1 379 153 38 PRO CB C 31.610 0.2 1 380 153 38 PRO CD C 50.645 0.2 1 381 153 38 PRO CG C 28.565 0.2 1 382 154 39 VAL H H 7.059 0.02 1 383 154 39 VAL HA H 4.100 0.02 1 384 154 39 VAL HB H 2.455 0.02 1 385 154 39 VAL HG1 H 1.301 0.02 2 386 154 39 VAL HG2 H 1.145 0.02 2 387 154 39 VAL CA C 65.872 0.2 1 388 154 39 VAL CB C 32.118 0.2 1 389 154 39 VAL CG1 C 23.489 0.2 2 390 154 39 VAL CG2 C 20.697 0.2 2 391 154 39 VAL N N 116.812 0.2 1 392 155 40 LEU H H 8.203 0.02 1 393 155 40 LEU HA H 4.206 0.02 1 394 155 40 LEU HB2 H 2.175 0.02 2 395 155 40 LEU HB3 H 1.689 0.02 2 396 155 40 LEU HD1 H 1.670 0.02 2 397 155 40 LEU HD2 H 1.070 0.02 2 398 155 40 LEU HG H 2.078 0.02 1 399 155 40 LEU CA C 62.070 0.2 1 400 155 40 LEU CB C 42.121 0.2 1 401 155 40 LEU CD2 C 24.758 0.2 2 402 155 40 LEU CG C 27.803 0.2 1 403 155 40 LEU N N 117.561 0.2 1 404 156 41 LEU H H 8.629 0.02 1 405 156 41 LEU HA H 4.141 0.02 1 406 156 41 LEU HB2 H 1.889 0.02 2 407 156 41 LEU HB3 H 1.597 0.02 2 408 156 41 LEU HD1 H 0.973 0.02 2 409 156 41 LEU HD2 H 0.716 0.02 2 410 156 41 LEU HG H 1.837 0.02 1 411 156 41 LEU CA C 58.000 0.2 1 412 156 41 LEU CB C 41.762 0.2 1 413 156 41 LEU CD1 C 23.235 0.2 2 414 156 41 LEU CD2 C 26.027 0.2 2 415 156 41 LEU CG C 27.042 0.2 1 416 157 42 ASN HA H 4.785 0.02 1 417 157 42 ASN HB2 H 3.468 0.02 2 418 157 42 ASN HB3 H 3.352 0.02 2 419 157 42 ASN CA C 54.959 0.2 1 420 157 42 ASN CB C 37.701 0.2 1 421 158 43 SER H H 7.849 0.02 1 422 158 43 SER HA H 3.480 0.02 1 423 158 43 SER HB2 H 3.213 0.02 2 424 158 43 SER HB3 H 2.695 0.02 2 425 158 43 SER CA C 60.796 0.2 1 426 158 43 SER CB C 64.096 0.2 1 427 158 43 SER N N 114.778 0.2 1 428 159 44 LYS H H 7.633 0.02 1 429 159 44 LYS HA H 3.868 0.02 1 430 159 44 LYS HB2 H 2.116 0.02 2 431 159 44 LYS HB3 H 1.950 0.02 2 432 159 44 LYS HD2 H 1.465 0.02 2 433 159 44 LYS HD3 H 1.273 0.02 2 434 159 44 LYS HE2 H 2.559 0.02 2 435 159 44 LYS HE3 H 2.560 0.02 2 436 159 44 LYS HG2 H 1.201 0.02 2 437 159 44 LYS HG3 H 1.204 0.02 2 438 159 44 LYS CA C 58.005 0.2 1 439 159 44 LYS CB C 29.341 0.2 1 440 159 44 LYS CD C 28.819 0.2 1 441 159 44 LYS CE C 41.508 0.2 1 442 159 44 LYS CG C 24.758 0.2 1 443 159 44 LYS N N 111.031 0.2 1 444 160 45 LEU H H 7.287 0.02 1 445 160 45 LEU HA H 4.421 0.02 1 446 160 45 LEU HB2 H 1.353 0.02 2 447 160 45 LEU HB3 H 1.017 0.02 2 448 160 45 LEU HD1 H 0.809 0.02 2 449 160 45 LEU HD2 H 0.710 0.02 2 450 160 45 LEU HG H 1.387 0.02 1 451 160 45 LEU CA C 53.183 0.2 1 452 160 45 LEU CB C 41.508 0.2 1 453 160 45 LEU CD1 C 22.981 0.2 2 454 160 45 LEU CD2 C 26.788 0.2 2 455 160 45 LEU CG C 27.042 0.2 1 456 160 45 LEU N N 121.094 0.2 1 457 161 46 PRO HA H 4.493 0.02 1 458 161 46 PRO HB2 H 2.425 0.02 2 459 161 46 PRO HB3 H 2.082 0.02 2 460 161 46 PRO HD2 H 3.897 0.02 2 461 161 46 PRO HD3 H 3.572 0.02 2 462 161 46 PRO HG2 H 2.097 0.02 2 463 161 46 PRO HG3 H 2.122 0.02 2 464 161 46 PRO CA C 62.065 0.2 1 465 161 46 PRO CB C 32.879 0.2 1 466 161 46 PRO CD C 50.391 0.2 1 467 161 46 PRO CG C 28.311 0.2 1 468 162 47 VAL H H 8.112 0.02 1 469 162 47 VAL HA H 3.437 0.02 1 470 162 47 VAL HB H 2.256 0.02 1 471 162 47 VAL HG1 H 1.241 0.02 2 472 162 47 VAL HG2 H 1.242 0.02 2 473 162 47 VAL CA C 66.634 0.2 1 474 162 47 VAL CB C 28.508 0.2 1 475 162 47 VAL CG1 C 21.712 0.2 2 476 162 47 VAL CG2 C 21.712 0.2 2 477 162 47 VAL N N 121.522 0.2 1 478 163 48 ASP H H 8.753 0.02 1 479 163 48 ASP HA H 4.582 0.02 1 480 163 48 ASP HB2 H 2.689 0.02 2 481 163 48 ASP HB3 H 2.694 0.02 2 482 163 48 ASP CA C 56.990 0.2 1 483 163 48 ASP CB C 40.239 0.2 1 484 163 48 ASP N N 117.454 0.2 1 485 164 49 ILE H H 7.051 0.02 1 486 164 49 ILE HA H 3.802 0.02 1 487 164 49 ILE HB H 1.933 0.02 1 488 164 49 ILE HD1 H 0.851 0.02 1 489 164 49 ILE HG12 H 1.627 0.02 2 490 164 49 ILE HG13 H 1.311 0.02 2 491 164 49 ILE HG2 H 0.763 0.02 1 492 164 49 ILE CA C 63.081 0.2 1 493 164 49 ILE CB C 36.940 0.2 1 494 164 49 ILE CD1 C 11.053 0.2 1 495 164 49 ILE CG1 C 28.311 0.2 1 496 164 49 ILE CG2 C 17.652 0.2 1 497 164 49 ILE N N 119.167 0.2 1 498 165 50 LEU H H 7.626 0.02 1 499 165 50 LEU HA H 3.447 0.02 1 500 165 50 LEU HB2 H 0.854 0.02 2 501 165 50 LEU HB3 H -0.014 0.02 2 502 165 50 LEU HD1 H 0.563 0.02 2 503 165 50 LEU HD2 H 0.513 0.02 2 504 165 50 LEU HG H 1.300 0.02 1 505 165 50 LEU CA C 57.751 0.2 1 506 165 50 LEU CB C 40.239 0.2 1 507 165 50 LEU CD1 C 26.534 0.2 2 508 165 50 LEU CD2 C 22.474 0.2 2 509 165 50 LEU CG C 25.773 0.2 1 510 165 50 LEU N N 119.274 0.2 1 511 166 51 GLY H H 8.744 0.02 1 512 166 51 GLY HA2 H 3.480 0.02 2 513 166 51 GLY HA3 H 2.888 0.02 2 514 166 51 GLY CA C 46.584 0.2 1 515 166 51 GLY N N 104.501 0.2 1 516 167 52 ARG H H 7.189 0.02 1 517 167 52 ARG HA H 3.977 0.02 1 518 167 52 ARG HB2 H 2.109 0.02 2 519 167 52 ARG HB3 H 2.030 0.02 2 520 167 52 ARG HD2 H 3.380 0.02 2 521 167 52 ARG HD3 H 3.332 0.02 2 522 167 52 ARG HG2 H 1.915 0.02 2 523 167 52 ARG HG3 H 1.753 0.02 2 524 167 52 ARG CA C 59.527 0.2 1 525 167 52 ARG CB C 29.834 0.2 1 526 167 52 ARG CD C 43.792 0.2 1 527 167 52 ARG CG C 28.311 0.2 1 528 167 52 ARG N N 122.700 0.2 1 529 168 53 VAL H H 8.411 0.02 1 530 168 53 VAL HA H 3.390 0.02 1 531 168 53 VAL HB H 2.304 0.02 1 532 168 53 VAL HG1 H 0.904 0.02 2 533 168 53 VAL HG2 H 0.899 0.02 2 534 168 53 VAL CA C 67.395 0.2 1 535 168 53 VAL CB C 31.103 0.2 1 536 168 53 VAL CG1 C 21.459 0.2 2 537 168 53 VAL CG2 C 23.235 0.2 2 538 168 53 VAL N N 119.596 0.2 1 539 169 54 TRP H H 8.573 0.02 1 540 169 54 TRP HA H 3.738 0.02 1 541 169 54 TRP HB2 H 3.530 0.02 2 542 169 54 TRP HB3 H 3.286 0.02 2 543 169 54 TRP HD1 H 7.251 0.02 1 544 169 54 TRP HE1 H 10.758 0.02 1 545 169 54 TRP HE3 H 7.346 0.02 1 546 169 54 TRP HH2 H 6.889 0.02 1 547 169 54 TRP HZ2 H 7.143 0.02 1 548 169 54 TRP HZ3 H 6.850 0.02 1 549 169 54 TRP CA C 61.812 0.2 1 550 169 54 TRP CB C 27.550 0.2 1 551 169 54 TRP CD1 C 127.290 0.2 1 552 169 54 TRP CE3 C 117.646 0.2 1 553 169 54 TRP CH2 C 123.483 0.2 1 554 169 54 TRP CZ2 C 114.854 0.2 1 555 169 54 TRP CZ3 C 120.945 0.2 1 556 169 54 TRP N N 121.308 0.2 1 557 169 54 TRP NE1 N 132.977 0.2 1 558 170 55 GLU H H 7.783 0.02 1 559 170 55 GLU HA H 4.030 0.02 1 560 170 55 GLU HB2 H 2.206 0.02 2 561 170 55 GLU HB3 H 2.185 0.02 2 562 170 55 GLU HG2 H 2.399 0.02 2 563 170 55 GLU HG3 H 2.399 0.02 2 564 170 55 GLU CA C 59.020 0.2 1 565 170 55 GLU CB C 30.088 0.2 1 566 170 55 GLU CG C 36.432 0.2 1 567 170 55 GLU N N 116.384 0.2 1 568 171 56 LEU H H 8.005 0.02 1 569 171 56 LEU HA H 4.003 0.02 1 570 171 56 LEU HB2 H 1.232 0.02 2 571 171 56 LEU HB3 H 1.779 0.02 2 572 171 56 LEU HD1 H 0.745 0.02 2 573 171 56 LEU HD2 H 0.702 0.02 2 574 171 56 LEU HG H 1.801 0.02 1 575 171 56 LEU CA C 56.736 0.2 1 576 171 56 LEU CB C 43.539 0.2 1 577 171 56 LEU CD1 C 26.027 0.2 2 578 171 56 LEU CD2 C 22.981 0.2 2 579 171 56 LEU CG C 27.042 0.2 1 580 171 56 LEU N N 115.771 0.2 1 581 172 57 SER H H 7.501 0.02 1 582 172 57 SER HA H 4.154 0.02 1 583 172 57 SER HB2 H 3.388 0.02 2 584 172 57 SER HB3 H 3.753 0.02 2 585 172 57 SER CA C 61.812 0.2 1 586 172 57 SER CB C 63.588 0.2 1 587 172 57 SER N N 112.209 0.2 1 588 173 58 ASP H H 7.592 0.02 1 589 173 58 ASP HA H 4.550 0.02 1 590 173 58 ASP HB2 H 2.402 0.02 2 591 173 58 ASP HB3 H 1.319 0.02 2 592 173 58 ASP CA C 51.914 0.2 1 593 173 58 ASP CB C 36.940 0.2 1 594 173 58 ASP N N 117.133 0.2 1 595 174 59 ILE H H 8.078 0.02 1 596 174 59 ILE HA H 3.354 0.02 1 597 174 59 ILE HB H 1.606 0.02 1 598 174 59 ILE HD1 H 0.953 0.02 1 599 174 59 ILE HG12 H 1.211 0.02 2 600 174 59 ILE HG13 H 2.048 0.02 2 601 174 59 ILE HG2 H 0.904 0.02 1 602 174 59 ILE CA C 64.857 0.2 1 603 174 59 ILE CB C 39.985 0.2 1 604 174 59 ILE CD1 C 15.114 0.2 1 605 174 59 ILE CG1 C 29.834 0.2 1 606 174 59 ILE CG2 C 16.890 0.2 1 607 174 59 ILE N N 128.160 0.2 1 608 175 60 ASP H H 7.795 0.02 1 609 175 60 ASP HA H 4.361 0.02 1 610 175 60 ASP HB2 H 3.063 0.02 2 611 175 60 ASP HB3 H 2.405 0.02 2 612 175 60 ASP CA C 52.167 0.2 1 613 175 60 ASP CB C 39.732 0.2 1 614 175 60 ASP N N 113.493 0.2 1 615 176 61 HIS H H 7.521 0.02 1 616 176 61 HIS HA H 4.236 0.02 1 617 176 61 HIS HB2 H 3.441 0.02 2 618 176 61 HIS HB3 H 3.085 0.02 2 619 176 61 HIS HD2 H 7.204 0.02 1 620 176 61 HIS CA C 56.228 0.2 1 621 176 61 HIS CB C 26.534 0.2 1 622 176 61 HIS CD2 C 120.438 0.2 1 623 176 61 HIS N N 112.637 0.2 1 624 177 62 ASP H H 8.547 0.02 1 625 177 62 ASP HA H 4.769 0.02 1 626 177 62 ASP HB2 H 2.952 0.02 2 627 177 62 ASP HB3 H 2.401 0.02 2 628 177 62 ASP CA C 53.436 0.2 1 629 177 62 ASP CB C 40.747 0.2 1 630 177 62 ASP N N 118.739 0.2 1 631 178 63 GLY H H 10.793 0.02 1 632 178 63 GLY HA2 H 4.398 0.02 2 633 178 63 GLY HA3 H 3.946 0.02 2 634 178 63 GLY CA C 46.330 0.2 1 635 178 63 GLY N N 112.958 0.2 1 636 179 64 MET H H 8.337 0.02 1 637 179 64 MET HA H 5.360 0.02 1 638 179 64 MET HB2 H 1.830 0.02 2 639 179 64 MET HB3 H 2.038 0.02 2 640 179 64 MET HE H 2.036 0.02 1 641 179 64 MET HG2 H 2.268 0.02 2 642 179 64 MET HG3 H 2.268 0.02 2 643 179 64 MET CA C 52.929 0.2 1 644 179 64 MET CB C 36.432 0.2 1 645 179 64 MET CG C 32.118 0.2 1 646 179 64 MET N N 118.525 0.2 1 647 180 65 LEU H H 9.471 0.02 1 648 180 65 LEU HA H 5.838 0.02 1 649 180 65 LEU HB2 H 2.034 0.02 2 650 180 65 LEU HB3 H 1.714 0.02 2 651 180 65 LEU HD1 H 0.892 0.02 2 652 180 65 LEU HD2 H -0.090 0.02 2 653 180 65 LEU HG H 1.594 0.02 1 654 180 65 LEU CA C 53.436 0.2 1 655 180 65 LEU CB C 43.285 0.2 1 656 180 65 LEU CD1 C 27.546 0.2 2 657 180 65 LEU CD2 C 20.951 0.2 2 658 180 65 LEU CG C 26.534 0.2 1 659 180 65 LEU N N 120.987 0.2 1 660 181 66 ASP H H 9.203 0.02 1 661 181 66 ASP HA H 5.378 0.02 1 662 181 66 ASP HB2 H 3.207 0.02 2 663 181 66 ASP HB3 H 2.814 0.02 2 664 181 66 ASP CA C 51.914 0.2 1 665 181 66 ASP CB C 40.493 0.2 1 666 181 66 ASP N N 124.306 0.2 1 667 182 67 ARG H H 8.130 0.02 1 668 182 67 ARG HA H 2.758 0.02 1 669 182 67 ARG HB2 H 1.245 0.02 2 670 182 67 ARG HB3 H 1.245 0.02 2 671 182 67 ARG HD2 H 3.178 0.02 2 672 182 67 ARG HD3 H 2.936 0.02 2 673 182 67 ARG HG2 H 0.869 0.02 2 674 182 67 ARG HG3 H 0.784 0.02 2 675 182 67 ARG CA C 60.543 0.2 1 676 182 67 ARG CB C 30.595 0.2 1 677 182 67 ARG CD C 42.777 0.2 1 678 182 67 ARG CG C 27.803 0.2 1 679 182 67 ARG N N 117.454 0.2 1 680 183 68 ASP H H 7.871 0.02 1 681 183 68 ASP HA H 4.748 0.02 1 682 183 68 ASP HB2 H 2.581 0.02 2 683 183 68 ASP HB3 H 2.278 0.02 2 684 183 68 ASP CA C 57.497 0.2 1 685 183 68 ASP CB C 40.747 0.2 1 686 183 68 ASP N N 119.703 0.2 1 687 184 69 GLU H H 8.775 0.02 1 688 184 69 GLU HA H 3.975 0.02 1 689 184 69 GLU HB2 H 2.507 0.02 2 690 184 69 GLU HB3 H 2.309 0.02 2 691 184 69 GLU HG2 H 2.910 0.02 2 692 184 69 GLU HG3 H 2.511 0.02 2 693 184 69 GLU CA C 59.781 0.2 1 694 184 69 GLU CB C 31.762 0.2 1 695 184 69 GLU CG C 37.955 0.2 1 696 184 69 GLU N N 120.987 0.2 1 697 185 70 PHE H H 9.331 0.02 1 698 185 70 PHE HA H 4.198 0.02 1 699 185 70 PHE HB2 H 3.370 0.02 2 700 185 70 PHE HB3 H 3.293 0.02 2 701 185 70 PHE HD1 H 7.479 0.02 3 702 185 70 PHE HE1 H 7.350 0.02 3 703 185 70 PHE HZ H 7.181 0.02 1 704 185 70 PHE CA C 61.812 0.2 1 705 185 70 PHE CB C 39.957 0.2 1 706 185 70 PHE CD1 C 132.503 0.2 3 707 185 70 PHE CE1 C 130.589 0.2 3 708 185 70 PHE N N 118.632 0.2 1 709 186 71 ALA H H 7.622 0.02 1 710 186 71 ALA HA H 3.991 0.02 1 711 186 71 ALA HB H 2.045 0.02 1 712 186 71 ALA CA C 55.213 0.2 1 713 186 71 ALA CB C 18.921 0.2 1 714 186 71 ALA N N 120.131 0.2 1 715 187 72 VAL H H 7.670 0.02 1 716 187 72 VAL HA H 3.438 0.02 1 717 187 72 VAL HB H 2.685 0.02 1 718 187 72 VAL HG1 H 1.550 0.02 2 719 187 72 VAL HG2 H 1.050 0.02 2 720 187 72 VAL CA C 67.617 0.2 1 721 187 72 VAL CB C 31.357 0.2 1 722 187 72 VAL CG1 C 24.250 0.2 1 723 187 72 VAL CG2 C 22.474 0.2 2 724 187 72 VAL N N 117.776 0.2 1 725 188 73 ALA H H 8.040 0.02 1 726 188 73 ALA HA H 3.892 0.02 1 727 188 73 ALA HB H 1.134 0.02 1 728 188 73 ALA CA C 55.974 0.2 1 729 188 73 ALA CB C 16.637 0.2 1 730 188 73 ALA N N 122.058 0.2 1 731 189 74 MET H H 7.908 0.02 1 732 189 74 MET HA H 3.900 0.02 1 733 189 74 MET HB2 H 0.936 0.02 2 734 189 74 MET HB3 H 0.799 0.02 2 735 189 74 MET HE H 1.714 0.02 1 736 189 74 MET HG2 H 1.599 0.02 2 737 189 74 MET HG3 H 1.349 0.02 2 738 189 74 MET CA C 55.974 0.2 1 739 189 74 MET CB C 29.072 0.2 1 740 189 74 MET CE C 17.652 0.2 1 741 189 74 MET CG C 33.387 0.2 1 742 189 74 MET N N 114.029 0.2 1 743 190 75 PHE H H 8.298 0.02 1 744 190 75 PHE HA H 4.245 0.02 1 745 190 75 PHE HB2 H 3.732 0.02 2 746 190 75 PHE HB3 H 3.170 0.02 2 747 190 75 PHE HD1 H 6.895 0.02 3 748 190 75 PHE HE1 H 7.225 0.02 3 749 190 75 PHE HZ H 7.131 0.02 1 750 190 75 PHE CA C 61.812 0.2 1 751 190 75 PHE CB C 39.732 0.2 1 752 190 75 PHE CD1 C 132.620 0.2 3 753 190 75 PHE CE1 C 131.858 0.2 3 754 190 75 PHE N N 121.174 0.2 1 755 191 76 LEU H H 8.761 0.02 1 756 191 76 LEU HA H 3.987 0.02 1 757 191 76 LEU HB2 H 2.270 0.02 2 758 191 76 LEU HB3 H 1.214 0.02 2 759 191 76 LEU HD1 H 0.879 0.02 2 760 191 76 LEU HD2 H 0.905 0.02 2 761 191 76 LEU HG H 1.215 0.02 1 762 191 76 LEU CA C 58.005 0.2 1 763 191 76 LEU CB C 43.792 0.2 1 764 191 76 LEU CD1 C 28.057 0.2 2 765 191 76 LEU N N 119.596 0.2 1 766 192 77 VAL H H 8.392 0.02 1 767 192 77 VAL HA H 3.205 0.02 1 768 192 77 VAL HB H 2.066 0.02 1 769 192 77 VAL HG1 H 0.302 0.02 2 770 192 77 VAL HG2 H 0.880 0.02 2 771 192 77 VAL CA C 67.395 0.2 1 772 192 77 VAL CB C 30.595 0.2 1 773 192 77 VAL CG1 C 22.981 0.2 2 774 192 77 VAL CG2 C 24.504 0.2 2 775 192 77 VAL N N 120.773 0.2 1 776 193 78 TYR H H 8.617 0.02 1 777 193 78 TYR HA H 3.916 0.02 1 778 193 78 TYR HB2 H 2.978 0.02 2 779 193 78 TYR HB3 H 2.899 0.02 2 780 193 78 TYR HD1 H 7.230 0.02 3 781 193 78 TYR HE1 H 6.762 0.02 3 782 193 78 TYR CA C 64.350 0.2 1 783 193 78 TYR CB C 36.940 0.2 1 784 193 78 TYR CD1 C 133.635 0.2 3 785 193 78 TYR CE1 C 117.900 0.2 3 786 193 78 TYR N N 118.418 0.2 1 787 194 79 CYS H H 7.979 0.02 1 788 194 79 CYS HA H 3.980 0.02 1 789 194 79 CYS HB2 H 2.990 0.02 2 790 194 79 CYS HB3 H 2.626 0.02 2 791 194 79 CYS CA C 63.842 0.2 1 792 194 79 CYS CB C 25.773 0.2 1 793 194 79 CYS N N 117.133 0.2 1 794 195 80 ALA H H 7.979 0.02 1 795 195 80 ALA HA H 4.372 0.02 1 796 195 80 ALA HB H 1.333 0.02 1 797 195 80 ALA CA C 54.959 0.2 1 798 195 80 ALA CB C 17.906 0.2 1 799 195 80 ALA N N 123.128 0.2 1 800 196 81 LEU H H 8.620 0.02 1 801 196 81 LEU HA H 3.957 0.02 1 802 196 81 LEU HB2 H 1.522 0.02 2 803 196 81 LEU HB3 H 0.748 0.02 2 804 196 81 LEU HD1 H 0.746 0.02 2 805 196 81 LEU HD2 H -0.007 0.02 2 806 196 81 LEU HG H 1.388 0.02 1 807 196 81 LEU CA C 57.497 0.2 1 808 196 81 LEU CB C 40.747 0.2 1 809 196 81 LEU CD1 C 22.474 0.2 2 810 196 81 LEU CD2 C 25.773 0.2 2 811 196 81 LEU CG C 26.534 0.2 1 812 196 81 LEU N N 123.021 0.2 1 813 197 82 GLU H H 7.483 0.02 1 814 197 82 GLU HA H 4.497 0.02 1 815 197 82 GLU HB2 H 2.412 0.02 2 816 197 82 GLU HB3 H 2.076 0.02 2 817 197 82 GLU HG2 H 2.558 0.02 2 818 197 82 GLU HG3 H 2.381 0.02 2 819 197 82 GLU CA C 56.418 0.2 1 820 197 82 GLU CB C 28.819 0.2 1 821 197 82 GLU CG C 36.432 0.2 1 822 197 82 GLU N N 118.311 0.2 1 823 198 83 LYS H H 7.832 0.02 1 824 198 83 LYS HA H 3.805 0.02 1 825 198 83 LYS HB2 H 2.282 0.02 2 826 198 83 LYS HB3 H 2.041 0.02 2 827 198 83 LYS HD2 H 1.729 0.02 2 828 198 83 LYS HD3 H 1.723 0.02 2 829 198 83 LYS HE2 H 3.065 0.02 2 830 198 83 LYS HE3 H 3.065 0.02 2 831 198 83 LYS HG2 H 1.393 0.02 2 832 198 83 LYS HG3 H 1.389 0.02 2 833 198 83 LYS CA C 57.497 0.2 1 834 198 83 LYS CB C 28.057 0.2 1 835 198 83 LYS CD C 29.072 0.2 1 836 198 83 LYS CE C 42.270 0.2 1 837 198 83 LYS CG C 25.266 0.2 1 838 198 83 LYS N N 111.674 0.2 1 839 199 84 GLU H H 8.098 0.02 1 840 199 84 GLU HA H 4.635 0.02 1 841 199 84 GLU HB2 H 1.912 0.02 2 842 199 84 GLU HB3 H 1.653 0.02 2 843 199 84 GLU HG2 H 2.292 0.02 2 844 199 84 GLU HG3 H 2.177 0.02 2 845 199 84 GLU CA C 53.944 0.2 1 846 199 84 GLU CB C 29.580 0.2 1 847 199 84 GLU CG C 35.671 0.2 1 848 199 84 GLU N N 121.737 0.2 1 849 200 85 PRO HA H 4.344 0.02 1 850 200 85 PRO HB2 H 2.238 0.02 2 851 200 85 PRO HB3 H 1.724 0.02 2 852 200 85 PRO HD2 H 3.679 0.02 2 853 200 85 PRO HD3 H 3.833 0.02 2 854 200 85 PRO HG2 H 1.995 0.02 2 855 200 85 PRO HG3 H 2.000 0.02 2 856 200 85 PRO CA C 62.065 0.2 1 857 200 85 PRO CB C 32.118 0.2 1 858 200 85 PRO CD C 50.645 0.2 1 859 200 85 PRO CG C 27.550 0.2 1 860 201 86 VAL H H 8.534 0.02 1 861 201 86 VAL HA H 4.275 0.02 1 862 201 86 VAL HB H 1.962 0.02 1 863 201 86 VAL HG1 H 0.937 0.02 2 864 201 86 VAL HG2 H 0.930 0.02 2 865 201 86 VAL CA C 60.035 0.2 1 866 201 86 VAL CB C 32.118 0.2 1 867 201 86 VAL CG1 C 21.790 0.2 2 868 201 86 VAL CG2 C 21.897 0.2 2 869 201 86 VAL N N 125.055 0.2 1 870 202 87 PRO HA H 4.571 0.02 1 871 202 87 PRO HB2 H 2.398 0.02 2 872 202 87 PRO HB3 H 2.401 0.02 2 873 202 87 PRO HD2 H 3.484 0.02 2 874 202 87 PRO HD3 H 3.908 0.02 2 875 202 87 PRO HG2 H 2.069 0.02 2 876 202 87 PRO HG3 H 1.810 0.02 2 877 202 87 PRO CA C 62.827 0.2 1 878 202 87 PRO CB C 32.879 0.2 1 879 202 87 PRO CD C 50.645 0.2 1 880 202 87 PRO CG C 26.788 0.2 1 881 203 88 MET H H 8.536 0.02 1 882 203 88 MET HA H 4.437 0.02 1 883 203 88 MET HB2 H 2.172 0.02 2 884 203 88 MET HB3 H 2.076 0.02 2 885 203 88 MET HE H 2.093 0.02 1 886 203 88 MET HG2 H 2.777 0.02 2 887 203 88 MET HG3 H 2.616 0.02 2 888 203 88 MET CA C 55.974 0.2 1 889 203 88 MET CB C 32.372 0.2 1 890 203 88 MET CG C 32.625 0.2 1 891 203 88 MET N N 114.671 0.2 1 892 204 89 SER H H 7.588 0.02 1 893 204 89 SER HA H 4.482 0.02 1 894 204 89 SER HB2 H 3.741 0.02 2 895 204 89 SER HB3 H 3.751 0.02 2 896 204 89 SER CA C 56.482 0.2 1 897 204 89 SER CB C 65.111 0.2 1 898 204 89 SER N N 110.603 0.2 1 899 205 90 LEU H H 9.188 0.02 1 900 205 90 LEU HA H 4.314 0.02 1 901 205 90 LEU HB2 H 1.517 0.02 2 902 205 90 LEU HB3 H 1.636 0.02 2 903 205 90 LEU HD1 H 0.984 0.02 2 904 205 90 LEU HD2 H 0.886 0.02 2 905 205 90 LEU HG H 1.760 0.02 1 906 205 90 LEU CA C 53.436 0.2 1 907 205 90 LEU CB C 41.785 0.2 1 908 205 90 LEU CD1 C 26.281 0.2 2 909 205 90 LEU CD2 C 25.519 0.2 2 910 205 90 LEU N N 124.627 0.2 1 911 206 91 PRO HA H 4.794 0.02 1 912 206 91 PRO HB2 H 2.510 0.02 2 913 206 91 PRO HB3 H 1.923 0.02 2 914 206 91 PRO HD2 H 4.093 0.02 2 915 206 91 PRO HD3 H 3.720 0.02 2 916 206 91 PRO HG2 H 2.111 0.02 2 917 206 91 PRO HG3 H 2.139 0.02 2 918 206 91 PRO CA C 61.304 0.2 1 919 206 91 PRO CB C 31.116 0.2 1 920 206 91 PRO CD C 50.726 0.2 1 921 206 91 PRO CG C 27.727 0.2 1 922 207 92 PRO HA H 4.221 0.02 1 923 207 92 PRO HB2 H 2.412 0.02 2 924 207 92 PRO HB3 H 1.975 0.02 2 925 207 92 PRO HD2 H 3.860 0.02 2 926 207 92 PRO HD3 H 3.862 0.02 2 927 207 92 PRO HG2 H 2.191 0.02 2 928 207 92 PRO HG3 H 2.170 0.02 2 929 207 92 PRO CA C 66.057 0.2 1 930 207 92 PRO CB C 31.889 0.2 1 931 207 92 PRO CD C 50.137 0.2 1 932 207 92 PRO CG C 27.550 0.2 1 933 208 93 ALA H H 8.509 0.02 1 934 208 93 ALA HA H 4.181 0.02 1 935 208 93 ALA HB H 1.448 0.02 1 936 208 93 ALA CA C 54.198 0.2 1 937 208 93 ALA CB C 18.413 0.2 1 938 208 93 ALA N N 115.742 0.2 1 939 209 94 LEU H H 8.225 0.02 1 940 209 94 LEU HA H 4.341 0.02 1 941 209 94 LEU HB2 H 1.386 0.02 2 942 209 94 LEU HB3 H 1.923 0.02 2 943 209 94 LEU HD1 H 0.727 0.02 2 944 209 94 LEU HD2 H 0.535 0.02 2 945 209 94 LEU HG H 1.772 0.02 1 946 209 94 LEU CA C 54.452 0.2 1 947 209 94 LEU CB C 43.285 0.2 1 948 209 94 LEU CD1 C 26.027 0.2 2 949 209 94 LEU CD2 C 24.250 0.2 2 950 209 94 LEU CG C 27.803 0.2 1 951 209 94 LEU N N 118.204 0.2 1 952 210 95 VAL H H 7.400 0.02 1 953 210 95 VAL HA H 3.762 0.02 1 954 210 95 VAL HB H 2.086 0.02 1 955 210 95 VAL HG1 H 1.062 0.02 2 956 210 95 VAL HG2 H 0.866 0.02 2 957 210 95 VAL CA C 61.812 0.2 1 958 210 95 VAL CB C 32.118 0.2 1 959 210 95 VAL CG1 C 22.220 0.2 2 960 210 95 VAL CG2 C 21.205 0.2 2 961 210 95 VAL N N 123.021 0.2 1 962 211 96 PRO HD2 H 4.329 0.02 2 963 211 96 PRO HD3 H 3.233 0.02 2 964 211 96 PRO CD C 50.645 0.2 1 965 212 97 PRO HA H 3.641 0.02 1 966 212 97 PRO HB2 H 2.263 0.02 2 967 212 97 PRO HB3 H 1.840 0.02 2 968 212 97 PRO HD2 H 2.774 0.02 2 969 212 97 PRO HD3 H 2.679 0.02 2 970 212 97 PRO HG2 H 2.108 0.02 2 971 212 97 PRO HG3 H 1.682 0.02 2 972 212 97 PRO CA C 66.126 0.2 1 973 212 97 PRO CB C 31.864 0.2 1 974 212 97 PRO CD C 49.376 0.2 1 975 212 97 PRO CG C 27.803 0.2 1 976 213 98 SER H H 8.243 0.02 1 977 213 98 SER HA H 4.124 0.02 1 978 213 98 SER HB2 H 3.916 0.02 2 979 213 98 SER HB3 H 3.849 0.02 2 980 213 98 SER CA C 59.781 0.2 1 981 213 98 SER CB C 62.573 0.2 1 982 213 98 SER N N 110.924 0.2 1 983 214 99 LYS H H 8.125 0.02 1 984 214 99 LYS HA H 4.563 0.02 1 985 214 99 LYS HB2 H 2.101 0.02 2 986 214 99 LYS HB3 H 1.496 0.02 2 987 214 99 LYS HD2 H 1.676 0.02 2 988 214 99 LYS HD3 H 1.420 0.02 2 989 214 99 LYS HE2 H 3.046 0.02 2 990 214 99 LYS HE3 H 2.902 0.02 2 991 214 99 LYS HG2 H 1.432 0.02 2 992 214 99 LYS HG3 H 1.227 0.02 2 993 214 99 LYS CA C 54.198 0.2 1 994 214 99 LYS CB C 32.879 0.2 1 995 214 99 LYS CD C 28.565 0.2 1 996 214 99 LYS CE C 42.016 0.2 1 997 214 99 LYS CG C 25.266 0.2 1 998 214 99 LYS N N 120.024 0.2 1 999 215 100 ARG H H 6.955 0.02 1 1000 215 100 ARG HA H 3.937 0.02 1 1001 215 100 ARG HB2 H 1.929 0.02 2 1002 215 100 ARG HB3 H 1.619 0.02 2 1003 215 100 ARG HD2 H 3.233 0.02 2 1004 215 100 ARG HD3 H 2.927 0.02 2 1005 215 100 ARG HG2 H 1.816 0.02 2 1006 215 100 ARG HG3 H 1.502 0.02 2 1007 215 100 ARG CA C 58.766 0.2 1 1008 215 100 ARG CB C 31.357 0.2 1 1009 215 100 ARG CD C 44.554 0.2 1 1010 215 100 ARG CG C 27.803 0.2 1 1011 215 100 ARG N N 125.483 0.2 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView $TOPSPIN $NMRPipe stop_ loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D C(CO)NH' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D H(CCO)NH' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_5 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Stonin _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 1 297 2 PRO HA H 4.092 0.02 1 2 297 2 PRO HB2 H 2.330 0.02 2 3 297 2 PRO HB3 H 2.041 0.02 2 4 297 2 PRO HG2 H 2.010 0.02 2 5 297 2 PRO CA C 63.089 0.2 1 6 297 2 PRO CG C 27.109 0.2 1 7 298 3 LEU H H 8.552 0.02 1 8 298 3 LEU HA H 4.382 0.02 1 9 298 3 LEU HB2 H 1.822 0.02 2 10 298 3 LEU HB3 H 1.651 0.02 2 11 298 3 LEU HD1 H 0.933 0.02 2 12 298 3 LEU HD2 H 0.924 0.02 2 13 298 3 LEU HG H 1.663 0.02 1 14 298 3 LEU CA C 55.453 0.2 1 15 298 3 LEU CB C 41.166 0.2 1 16 298 3 LEU CD2 C 23.355 0.2 2 17 298 3 LEU N N 122.280 0.2 1 18 299 4 GLY H H 8.402 0.02 1 19 299 4 GLY HA2 H 3.982 0.02 2 20 299 4 GLY HA3 H 3.952 0.02 2 21 299 4 GLY CA C 45.099 0.2 1 22 299 4 GLY N N 109.811 0.2 1 23 300 5 SER H H 8.193 0.02 1 24 300 5 SER HA H 4.812 0.02 1 25 300 5 SER HB2 H 3.851 0.02 2 26 300 5 SER HB3 H 3.756 0.02 2 27 300 5 SER CA C 56.467 0.2 1 28 300 5 SER CB C 62.818 0.2 1 29 300 5 SER N N 116.932 0.2 1 30 301 6 PRO HA H 4.565 0.02 1 31 301 6 PRO HB2 H 2.376 0.02 2 32 301 6 PRO HB3 H 2.041 0.02 2 33 301 6 PRO HD2 H 3.878 0.02 2 34 301 6 PRO HD3 H 3.879 0.02 2 35 301 6 PRO HG2 H 2.119 0.02 2 36 301 6 PRO HG3 H 2.013 0.02 2 37 301 6 PRO CA C 64.083 0.2 1 38 301 6 PRO CB C 32.105 0.2 1 39 301 6 PRO CD C 51.137 0.2 1 40 301 6 PRO CG C 27.023 0.2 1 41 302 7 SER HA H 4.483 0.02 1 42 302 7 SER HB2 H 3.871 0.02 2 43 302 7 SER HB3 H 3.864 0.02 2 44 302 7 SER CA C 58.429 0.2 1 45 302 7 SER CB C 63.758 0.2 1 46 303 8 VAL H H 8.238 0.02 1 47 303 8 VAL HA H 4.252 0.02 1 48 303 8 VAL HB H 2.155 0.02 1 49 303 8 VAL HG1 H 0.992 0.02 2 50 303 8 VAL HG2 H 0.970 0.02 2 51 303 8 VAL CA C 62.311 0.2 1 52 303 8 VAL CB C 32.824 0.2 1 53 303 8 VAL CG1 C 20.913 0.2 2 54 303 8 VAL CG2 C 20.896 0.2 2 55 303 8 VAL N N 121.875 0.2 1 56 304 9 THR H H 8.221 0.02 1 57 304 9 THR HA H 4.369 0.02 1 58 304 9 THR HB H 4.225 0.02 1 59 304 9 THR HG2 H 1.246 0.02 1 60 304 9 THR CA C 61.795 0.2 1 61 304 9 THR CB C 69.666 0.2 1 62 304 9 THR CG2 C 21.759 0.2 1 63 304 9 THR N N 117.435 0.2 1 64 305 10 GLU H H 8.342 0.02 1 65 305 10 GLU HA H 4.292 0.02 1 66 305 10 GLU HB2 H 2.119 0.02 2 67 305 10 GLU HB3 H 1.978 0.02 2 68 305 10 GLU HG2 H 2.263 0.02 2 69 305 10 GLU HG3 H 2.165 0.02 2 70 305 10 GLU CA C 56.488 0.2 1 71 305 10 GLU CB C 30.344 0.2 1 72 305 10 GLU CG C 36.355 0.2 1 73 305 10 GLU N N 123.467 0.2 1 74 306 11 ALA H H 8.299 0.02 1 75 306 11 ALA HA H 4.330 0.02 1 76 306 11 ALA HB H 1.372 0.02 1 77 306 11 ALA CA C 52.164 0.2 1 78 306 11 ALA CB C 19.377 0.2 1 79 306 11 ALA N N 124.975 0.2 1 80 307 12 SER H H 8.304 0.02 1 81 307 12 SER HA H 4.628 0.02 1 82 307 12 SER HB2 H 3.751 0.02 2 83 307 12 SER HB3 H 3.749 0.02 2 84 307 12 SER CA C 56.214 0.2 1 85 307 12 SER CB C 63.419 0.2 1 86 307 12 SER N N 116.597 0.2 1 87 308 13 PRO HA H 4.395 0.02 1 88 308 13 PRO HB2 H 2.172 0.02 2 89 308 13 PRO HB3 H 1.879 0.02 2 90 308 13 PRO HD2 H 3.718 0.02 2 91 308 13 PRO HD3 H 3.547 0.02 2 92 308 13 PRO HG2 H 1.926 0.02 2 93 308 13 PRO HG3 H 1.787 0.02 2 94 308 13 PRO CA C 63.060 0.2 1 95 308 13 PRO CB C 31.844 0.2 1 96 308 13 PRO CD C 50.625 0.2 1 97 308 13 PRO CG C 27.022 0.2 1 98 309 14 TRP H H 8.038 0.02 1 99 309 14 TRP HA H 4.930 0.02 1 100 309 14 TRP HB2 H 3.433 0.02 2 101 309 14 TRP HB3 H 3.123 0.02 2 102 309 14 TRP HD1 H 7.146 0.02 1 103 309 14 TRP HE1 H 9.985 0.02 1 104 309 14 TRP HE3 H 7.256 0.02 1 105 309 14 TRP HH2 H 7.249 0.02 1 106 309 14 TRP HZ2 H 7.624 0.02 1 107 309 14 TRP HZ3 H 6.947 0.02 1 108 309 14 TRP CA C 54.944 0.2 1 109 309 14 TRP CB C 30.324 0.2 1 110 309 14 TRP CD1 C 125.493 0.2 1 111 309 14 TRP CE3 C 120.164 0.2 1 112 309 14 TRP CH2 C 124.478 0.2 1 113 309 14 TRP CZ2 C 114.580 0.2 1 114 309 14 TRP CZ3 C 121.179 0.2 1 115 309 14 TRP N N 121.372 0.2 1 116 309 14 TRP NE1 N 128.159 0.2 1 117 310 15 ARG H H 8.827 0.02 1 118 310 15 ARG HA H 4.336 0.02 1 119 310 15 ARG HB2 H 2.036 0.02 2 120 310 15 ARG HB3 H 2.035 0.02 2 121 310 15 ARG HD2 H 3.262 0.02 2 122 310 15 ARG HD3 H 3.221 0.02 2 123 310 15 ARG HG2 H 2.060 0.02 2 124 310 15 ARG HG3 H 1.827 0.02 2 125 310 15 ARG CA C 56.617 0.2 1 126 310 15 ARG CB C 31.336 0.2 1 127 310 15 ARG CD C 43.265 0.2 1 128 310 15 ARG CG C 28.798 0.2 1 129 310 15 ARG N N 122.043 0.2 1 130 311 16 ALA H H 8.551 0.02 1 131 311 16 ALA HA H 4.140 0.02 1 132 311 16 ALA HB H 1.520 0.02 1 133 311 16 ALA CA C 54.460 0.2 1 134 311 16 ALA CB C 18.884 0.2 1 135 311 16 ALA N N 120.702 0.2 1 136 312 17 THR H H 7.286 0.02 1 137 312 17 THR HA H 4.219 0.02 1 138 312 17 THR HB H 4.616 0.02 1 139 312 17 THR HG2 H 1.270 0.02 1 140 312 17 THR CA C 60.544 0.2 1 141 312 17 THR CB C 68.647 0.2 1 142 312 17 THR CG2 C 21.943 0.2 1 143 312 17 THR N N 124.807 0.2 1 144 313 18 ASN H H 7.918 0.02 1 145 313 18 ASN HA H 4.269 0.02 1 146 313 18 ASN HB2 H 3.237 0.02 2 147 313 18 ASN HB3 H 2.973 0.02 2 148 313 18 ASN HD21 H 7.622 0.02 2 149 313 18 ASN HD22 H 6.979 0.02 2 150 313 18 ASN CA C 50.640 0.2 1 151 313 18 ASN CB C 39.462 0.2 1 152 313 18 ASN N N 123.467 0.2 1 153 313 18 ASN ND2 N 116.094 0.2 1 154 314 19 PRO HA H 4.135 0.02 1 155 314 19 PRO HB2 H 1.600 0.02 2 156 314 19 PRO HB3 H 0.893 0.02 2 157 314 19 PRO HD2 H 2.429 0.02 2 158 314 19 PRO HD3 H 1.711 0.02 2 159 314 19 PRO HG2 H 0.420 0.02 2 160 314 19 PRO HG3 H 0.421 0.02 2 161 314 19 PRO CA C 63.314 0.2 1 162 314 19 PRO CB C 31.336 0.2 1 163 314 19 PRO CD C 48.087 0.2 1 164 314 19 PRO CG C 25.245 0.2 1 165 315 20 PHE H H 8.568 0.02 1 166 315 20 PHE HA H 4.144 0.02 1 167 315 20 PHE HB2 H 3.237 0.02 2 168 315 20 PHE HB3 H 2.669 0.02 2 169 315 20 PHE HD1 H 7.255 0.02 3 170 315 20 PHE HE1 H 7.131 0.02 3 171 315 20 PHE HZ H 7.128 0.02 1 172 315 20 PHE CA C 59.513 0.2 1 173 315 20 PHE CB C 37.658 0.2 1 174 315 20 PHE CD1 C 131.838 0.2 3 175 315 20 PHE CE1 C 130.569 0.2 3 176 315 20 PHE CZ C 128.047 0.2 1 177 315 20 PHE N N 116.848 0.2 1 178 316 21 LEU H H 7.332 0.02 1 179 316 21 LEU HA H 4.393 0.02 1 180 316 21 LEU HB2 H 1.835 0.02 2 181 316 21 LEU HB3 H 1.718 0.02 2 182 316 21 LEU HD1 H 1.019 0.02 2 183 316 21 LEU HD2 H 0.975 0.02 2 184 316 21 LEU HG H 1.692 0.02 1 185 316 21 LEU CA C 55.961 0.2 1 186 316 21 LEU CB C 43.017 0.2 1 187 316 21 LEU CD1 C 24.965 0.2 2 188 316 21 LEU CD2 C 24.992 0.2 2 189 316 21 LEU CG C 27.254 0.2 1 190 316 21 LEU N N 120.283 0.2 1 191 317 22 ASN H H 8.010 0.02 1 192 317 22 ASN HA H 4.613 0.02 1 193 317 22 ASN HB2 H 2.856 0.02 2 194 317 22 ASN HB3 H 2.786 0.02 2 195 317 22 ASN HD21 H 7.641 0.02 2 196 317 22 ASN HD22 H 6.941 0.02 2 197 317 22 ASN CA C 53.224 0.2 1 198 317 22 ASN CB C 38.714 0.2 1 199 317 22 ASN N N 117.602 0.2 1 200 317 22 ASN ND2 N 113.333 0.2 1 201 318 23 GLU H H 8.344 0.02 1 202 318 23 GLU HA H 4.373 0.02 1 203 318 23 GLU HB2 H 2.134 0.02 2 204 318 23 GLU HB3 H 2.000 0.02 2 205 318 23 GLU HG2 H 2.347 0.02 2 206 318 23 GLU HG3 H 2.192 0.02 2 207 318 23 GLU CA C 56.974 0.2 1 208 318 23 GLU CB C 30.323 0.2 1 209 318 23 GLU CG C 36.924 0.2 1 210 318 23 GLU N N 121.523 0.2 1 211 319 24 THR H H 8.295 0.02 1 212 319 24 THR HA H 4.398 0.02 1 213 319 24 THR HB H 4.304 0.02 1 214 319 24 THR HG2 H 1.223 0.02 1 215 319 24 THR CA C 61.940 0.2 1 216 319 24 THR CB C 70.138 0.2 1 217 319 24 THR CG2 C 21.725 0.2 1 218 319 24 THR N N 115.089 0.2 1 219 320 25 LEU H H 8.639 0.02 1 220 320 25 LEU HA H 4.237 0.02 1 221 320 25 LEU HB2 H 1.842 0.02 2 222 320 25 LEU HB3 H 1.635 0.02 2 223 320 25 LEU HD1 H 0.946 0.02 2 224 320 25 LEU HD2 H 0.894 0.02 2 225 320 25 LEU HG H 1.631 0.02 1 226 320 25 LEU CA C 55.196 0.2 1 227 320 25 LEU CB C 40.733 0.2 1 228 320 25 LEU CD1 C 25.208 0.2 2 229 320 25 LEU CD2 C 23.456 0.2 2 230 320 25 LEU CG C 27.026 0.2 1 231 320 25 LEU N N 122.143 0.2 1 232 321 26 GLN H H 8.121 0.02 1 233 321 26 GLN HA H 4.217 0.02 1 234 321 26 GLN HB2 H 2.066 0.02 2 235 321 26 GLN HB3 H 2.000 0.02 2 236 321 26 GLN HE21 H 7.545 0.02 2 237 321 26 GLN HE22 H 6.864 0.02 2 238 321 26 GLN HG2 H 2.360 0.02 2 239 321 26 GLN HG3 H 2.376 0.02 2 240 321 26 GLN CA C 56.987 0.2 1 241 321 26 GLN CB C 29.309 0.2 1 242 321 26 GLN CG C 33.874 0.2 1 243 321 26 GLN N N 119.864 0.2 1 244 321 26 GLN NE2 N 112.575 0.2 1 245 322 27 ASP H H 8.489 0.02 1 246 322 27 ASP HA H 4.656 0.02 1 247 322 27 ASP HB2 H 2.739 0.02 2 248 322 27 ASP HB3 H 2.592 0.02 2 249 322 27 ASP CA C 54.170 0.2 1 250 322 27 ASP CB C 40.758 0.2 1 251 322 27 ASP N N 119.864 0.2 1 252 323 28 VAL H H 7.588 0.02 1 253 323 28 VAL HA H 4.094 0.02 1 254 323 28 VAL HB H 1.998 0.02 1 255 323 28 VAL HG1 H 0.915 0.02 2 256 323 28 VAL HG2 H 0.877 0.02 2 257 323 28 VAL CA C 61.797 0.2 1 258 323 28 VAL CB C 32.915 0.2 1 259 323 28 VAL CG1 C 21.966 0.2 2 260 323 28 VAL CG2 C 21.442 0.2 2 261 323 28 VAL N N 119.446 0.2 1 262 324 29 GLN H H 8.451 0.02 1 263 324 29 GLN HA H 4.633 0.02 1 264 324 29 GLN HB2 H 2.113 0.02 2 265 324 29 GLN HB3 H 1.931 0.02 2 266 324 29 GLN HE21 H 7.561 0.02 2 267 324 29 GLN HE22 H 6.938 0.02 2 268 324 29 GLN HG2 H 2.445 0.02 2 269 324 29 GLN HG3 H 2.454 0.02 2 270 324 29 GLN CA C 53.138 0.2 1 271 324 29 GLN CB C 28.795 0.2 1 272 324 29 GLN CG C 33.403 0.2 1 273 324 29 GLN N N 125.897 0.2 1 274 324 29 GLN NE2 N 113.162 0.2 1 275 325 30 PRO HA H 4.486 0.02 1 276 325 30 PRO HB2 H 2.310 0.02 2 277 325 30 PRO HB3 H 1.973 0.02 2 278 325 30 PRO HD2 H 3.899 0.02 2 279 325 30 PRO HD3 H 3.678 0.02 2 280 325 30 PRO HG2 H 2.070 0.02 2 281 325 30 PRO HG3 H 1.954 0.02 2 282 325 30 PRO CA C 62.553 0.2 1 283 325 30 PRO CB C 32.316 0.2 1 284 325 30 PRO CD C 50.625 0.2 1 285 325 30 PRO CG C 27.529 0.2 1 286 326 31 SER H H 7.858 0.02 1 287 326 31 SER HA H 4.734 0.02 1 288 326 31 SER HB2 H 3.890 0.02 2 289 326 31 SER HB3 H 3.672 0.02 2 290 326 31 SER CA C 55.447 0.2 1 291 326 31 SER CB C 63.822 0.2 1 292 326 31 SER N N 115.759 0.2 1 293 327 32 PRO HA H 4.554 0.02 1 294 327 32 PRO HB2 H 2.382 0.02 2 295 327 32 PRO HB3 H 2.039 0.02 2 296 327 32 PRO HD2 H 3.944 0.02 2 297 327 32 PRO HD3 H 3.677 0.02 2 298 327 32 PRO HG2 H 2.117 0.02 2 299 327 32 PRO HG3 H 1.997 0.02 2 300 327 32 PRO CA C 64.076 0.2 1 301 327 32 PRO CB C 32.098 0.2 1 302 327 32 PRO CD C 51.132 0.2 1 303 327 32 PRO CG C 27.022 0.2 1 304 328 33 ILE H H 8.233 0.02 1 305 328 33 ILE HA H 3.829 0.02 1 306 328 33 ILE HB H 1.992 0.02 1 307 328 33 ILE HD1 H 0.838 0.02 1 308 328 33 ILE HG12 H 1.420 0.02 2 309 328 33 ILE HG13 H 1.140 0.02 2 310 328 33 ILE HG2 H 0.839 0.02 1 311 328 33 ILE CA C 58.518 0.2 1 312 328 33 ILE CB C 36.419 0.2 1 313 328 33 ILE CD1 C 12.335 0.2 1 314 328 33 ILE CG1 C 27.626 0.2 1 315 328 33 ILE CG2 C 17.093 0.2 1 316 328 33 ILE N N 121.037 0.2 1 317 329 34 ASN H H 8.672 0.02 1 318 329 34 ASN HA H 5.225 0.02 1 319 329 34 ASN HB2 H 3.362 0.02 2 320 329 34 ASN HB3 H 2.575 0.02 2 321 329 34 ASN HD21 H 7.694 0.02 2 322 329 34 ASN HD22 H 6.983 0.02 2 323 329 34 ASN CA C 49.359 0.2 1 324 329 34 ASN CB C 38.952 0.2 1 325 329 34 ASN N N 121.624 0.2 1 326 329 34 ASN ND2 N 109.140 0.2 1 327 330 35 PRO HA H 4.509 0.02 1 328 330 35 PRO HB2 H 2.208 0.02 2 329 330 35 PRO HB3 H 1.085 0.02 2 330 330 35 PRO HD2 H 3.676 0.02 2 331 330 35 PRO HD3 H 3.388 0.02 2 332 330 35 PRO HG2 H 1.583 0.02 2 333 330 35 PRO HG3 H 0.972 0.02 2 334 330 35 PRO CA C 62.553 0.2 1 335 330 35 PRO CB C 31.844 0.2 1 336 330 35 PRO CD C 50.371 0.2 1 337 330 35 PRO CG C 26.261 0.2 1 338 331 36 PHE H H 7.738 0.02 1 339 331 36 PHE HA H 4.836 0.02 1 340 331 36 PHE HB2 H 3.354 0.02 2 341 331 36 PHE HB3 H 3.036 0.02 2 342 331 36 PHE HD1 H 6.882 0.02 3 343 331 36 PHE HE1 H 6.974 0.02 3 344 331 36 PHE HZ H 6.951 0.02 1 345 331 36 PHE CA C 56.981 0.2 1 346 331 36 PHE CB C 39.210 0.2 1 347 331 36 PHE CD1 C 131.872 0.2 3 348 331 36 PHE CE1 C 131.331 0.2 3 349 331 36 PHE CZ C 128.793 0.2 1 350 331 36 PHE N N 116.513 0.2 1 351 332 37 SER H H 7.221 0.02 1 352 332 37 SER HA H 4.273 0.02 1 353 332 37 SER HB2 H 4.045 0.02 2 354 332 37 SER HB3 H 4.033 0.02 2 355 332 37 SER CA C 61.794 0.2 1 356 332 37 SER CB C 62.810 0.2 1 357 332 37 SER N N 115.256 0.2 1 358 333 38 ALA H H 8.551 0.02 1 359 333 38 ALA HA H 4.308 0.02 1 360 333 38 ALA HB H 1.372 0.02 1 361 333 38 ALA CA C 54.464 0.2 1 362 333 38 ALA CB C 18.148 0.2 1 363 333 38 ALA N N 123.216 0.2 1 364 334 39 PHE H H 7.842 0.02 1 365 334 39 PHE HA H 4.165 0.02 1 366 334 39 PHE HB2 H 3.062 0.02 2 367 334 39 PHE HB3 H 2.978 0.02 2 368 334 39 PHE HD1 H 6.946 0.02 3 369 334 39 PHE HE1 H 7.270 0.02 3 370 334 39 PHE HZ H 7.262 0.02 1 371 334 39 PHE CA C 60.541 0.2 1 372 334 39 PHE CB C 38.703 0.2 1 373 334 39 PHE CD1 C 132.035 0.2 3 374 334 39 PHE CE1 C 131.331 0.2 3 375 334 39 PHE CZ C 130.062 0.2 1 376 334 39 PHE N N 117.602 0.2 1 377 335 40 PHE H H 7.668 0.02 1 378 335 40 PHE HA H 4.626 0.02 1 379 335 40 PHE HB2 H 3.460 0.02 2 380 335 40 PHE HB3 H 3.003 0.02 2 381 335 40 PHE HD1 H 7.461 0.02 3 382 335 40 PHE HE1 H 7.461 0.02 3 383 335 40 PHE HZ H 7.461 0.02 1 384 335 40 PHE CA C 58.997 0.2 1 385 335 40 PHE CB C 39.427 0.2 1 386 335 40 PHE CD1 C 131.838 0.2 3 387 335 40 PHE CE1 C 131.331 0.2 3 388 335 40 PHE CZ C 130.569 0.2 1 389 335 40 PHE N N 117.267 0.2 1 390 336 41 GLU H H 8.105 0.02 1 391 336 41 GLU HA H 4.263 0.02 1 392 336 41 GLU HB2 H 2.080 0.02 2 393 336 41 GLU HB3 H 1.979 0.02 2 394 336 41 GLU HG2 H 2.415 0.02 2 395 336 41 GLU HG3 H 2.322 0.02 2 396 336 41 GLU CA C 57.653 0.2 1 397 336 41 GLU CB C 30.320 0.2 1 398 336 41 GLU CG C 36.411 0.2 1 399 336 41 GLU N N 120.426 0.2 1 400 337 42 GLU H H 8.140 0.02 1 401 337 42 GLU HA H 4.259 0.02 1 402 337 42 GLU HB2 H 2.110 0.02 2 403 337 42 GLU HB3 H 1.998 0.02 2 404 337 42 GLU HG2 H 2.415 0.02 2 405 337 42 GLU HG3 H 2.300 0.02 2 406 337 42 GLU CA C 56.969 0.2 1 407 337 42 GLU CB C 30.018 0.2 1 408 337 42 GLU CG C 36.158 0.2 1 409 337 42 GLU N N 120.291 0.2 1 410 338 43 GLN H H 8.058 0.02 1 411 338 43 GLN HA H 4.282 0.02 1 412 338 43 GLN HB2 H 2.159 0.02 2 413 338 43 GLN HB3 H 1.996 0.02 2 414 338 43 GLN HG2 H 2.320 0.02 2 415 338 43 GLN HG3 H 2.317 0.02 2 416 338 43 GLN CA C 56.127 0.2 1 417 338 43 GLN CB C 29.560 0.2 1 418 338 43 GLN CG C 33.709 0.2 1 419 338 43 GLN N N 119.529 0.2 1 420 339 44 GLU H H 8.254 0.02 1 421 339 44 GLU HA H 4.275 0.02 1 422 339 44 GLU HB2 H 1.986 0.02 2 423 339 44 GLU HB3 H 1.952 0.02 2 424 339 44 GLU HG2 H 2.371 0.02 2 425 339 44 GLU HG3 H 2.271 0.02 2 426 339 44 GLU CA C 56.683 0.2 1 427 339 44 GLU N N 121.540 0.2 1 428 340 45 ARG H H 7.880 0.02 1 429 340 45 ARG HA H 4.209 0.02 1 430 340 45 ARG HB2 H 1.893 0.02 2 431 340 45 ARG HB3 H 1.775 0.02 2 432 340 45 ARG HD2 H 3.213 0.02 2 433 340 45 ARG HG2 H 2.019 0.02 2 434 340 45 ARG HG3 H 1.651 0.02 2 435 340 45 ARG CA C 57.477 0.2 1 436 340 45 ARG CD C 43.265 0.2 1 437 340 45 ARG CG C 27.279 0.2 1 438 340 45 ARG N N 127.237 0.2 1 stop_ save_