data_15651 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the transmembrane domain of the Outer Membrane Protein A from Klebsiella pneumoniae in DHPC micelles. ; _BMRB_accession_number 15651 _BMRB_flat_file_name bmr15651.str _Entry_type original _Submission_date 2008-02-04 _Accession_date 2008-02-04 _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 Renault Marie . . 2 Saurel Olivier . . 3 Gervais Virginie . . 4 Lohr Franck . . 5 Reat Valerie . . 6 Piotto Martial . . 7 Milon Alain . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 233 "13C chemical shifts" 673 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-20 update BMRB 'complete entry citation' 2008-11-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution State NMR Structure and Dynamics of KpOmpA, a 210 Residue Transmembrane Domain Possessing a High Potential for Immunological Applications' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18952100 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Renault Marie . . 2 Saurel Olivier . . 3 Czaplicki Jerzy . . 4 Demange Pascal . . 5 Gervais Virginie . . 6 Lohr Frank . . 7 Reat Valerie . . 8 Piotto Martial . . 9 Milon Alain . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 385 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 117 _Page_last 130 _Year 2009 _Details . loop_ _Keyword '4D NOESY' CC-TOCSY 'conformational exchange' 'membrane protein' 'methyl protonation' 'Outer membrane protein A' 'side-chains assignment' TROSY stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'KpOmpA transmembrane domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KpOmpA transmembrane domain' $KpOmpA_transmembrane_domain stop_ _System_molecular_weight 23367.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KpOmpA_transmembrane_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KpOmpA_transmembrane_domain _Name_variant . _Abbreviation_common . _Molecular_mass 23367.7 _Mol_thiol_state 'not present' loop_ _Biological_function 'bacterial conjugation' 'Porin with low permeability' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 216 _Mol_residue_sequence ; ARIMKAIFVLNAAPKDNTWY AGGKLGWSQYHDTGFYGNGF QNNNGPTRNDQLGAGAFGGY QVNPYLGFEMGYDWLGRMAY KGSVDNGAFKAQGVQLTAKL GYPITDDLDIYTRLGGMVWR ADSKGNYASTGVSRSEHDTG VSPVFAGGVEWAVTRDIATR LEYQWVNNIGDAGTVGTRPD NGMLSLGVSYRFGQEDAAPV VAPAPAPAPEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ARG 3 ILE 4 MET 5 LYS 6 ALA 7 ILE 8 PHE 9 VAL 10 LEU 11 ASN 12 ALA 13 ALA 14 PRO 15 LYS 16 ASP 17 ASN 18 THR 19 TRP 20 TYR 21 ALA 22 GLY 23 GLY 24 LYS 25 LEU 26 GLY 27 TRP 28 SER 29 GLN 30 TYR 31 HIS 32 ASP 33 THR 34 GLY 35 PHE 36 TYR 37 GLY 38 ASN 39 GLY 40 PHE 41 GLN 42 ASN 43 ASN 44 ASN 45 GLY 46 PRO 47 THR 48 ARG 49 ASN 50 ASP 51 GLN 52 LEU 53 GLY 54 ALA 55 GLY 56 ALA 57 PHE 58 GLY 59 GLY 60 TYR 61 GLN 62 VAL 63 ASN 64 PRO 65 TYR 66 LEU 67 GLY 68 PHE 69 GLU 70 MET 71 GLY 72 TYR 73 ASP 74 TRP 75 LEU 76 GLY 77 ARG 78 MET 79 ALA 80 TYR 81 LYS 82 GLY 83 SER 84 VAL 85 ASP 86 ASN 87 GLY 88 ALA 89 PHE 90 LYS 91 ALA 92 GLN 93 GLY 94 VAL 95 GLN 96 LEU 97 THR 98 ALA 99 LYS 100 LEU 101 GLY 102 TYR 103 PRO 104 ILE 105 THR 106 ASP 107 ASP 108 LEU 109 ASP 110 ILE 111 TYR 112 THR 113 ARG 114 LEU 115 GLY 116 GLY 117 MET 118 VAL 119 TRP 120 ARG 121 ALA 122 ASP 123 SER 124 LYS 125 GLY 126 ASN 127 TYR 128 ALA 129 SER 130 THR 131 GLY 132 VAL 133 SER 134 ARG 135 SER 136 GLU 137 HIS 138 ASP 139 THR 140 GLY 141 VAL 142 SER 143 PRO 144 VAL 145 PHE 146 ALA 147 GLY 148 GLY 149 VAL 150 GLU 151 TRP 152 ALA 153 VAL 154 THR 155 ARG 156 ASP 157 ILE 158 ALA 159 THR 160 ARG 161 LEU 162 GLU 163 TYR 164 GLN 165 TRP 166 VAL 167 ASN 168 ASN 169 ILE 170 GLY 171 ASP 172 ALA 173 GLY 174 THR 175 VAL 176 GLY 177 THR 178 ARG 179 PRO 180 ASP 181 ASN 182 GLY 183 MET 184 LEU 185 SER 186 LEU 187 GLY 188 VAL 189 SER 190 TYR 191 ARG 192 PHE 193 GLY 194 GLN 195 GLU 196 ASP 197 ALA 198 ALA 199 PRO 200 VAL 201 VAL 202 ALA 203 PRO 204 ALA 205 PRO 206 ALA 207 PRO 208 ALA 209 PRO 210 GLU 211 HIS 212 HIS 213 HIS 214 HIS 215 HIS 216 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 2K0L "Nmr Structure Of The Transmembrane Domain Of The Outer Membrane Protein A From Klebsiella Pneumoniae In Dhpc Micelles" 100.00 216 100.00 100.00 5.32e-156 DBJ BAH62679 "outer membrane protein A [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 95.83 356 97.10 97.10 1.61e-143 EMBL CAA04450 "outer membrane protein A [Klebsiella pneumoniae]" 98.15 344 98.11 98.11 8.29e-149 EMBL CCI75899 "ompA [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" 95.83 379 97.10 97.10 2.59e-143 EMBL CCM81556 "Outer membrane protein A precursor [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" 95.83 364 97.10 97.10 1.86e-143 EMBL CCM88663 "Outer membrane protein A precursor [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" 95.83 364 97.10 97.10 1.86e-143 EMBL CCM94835 "Outer membrane protein A precursor [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" 95.83 364 97.10 97.10 1.86e-143 GB ABR76422 "outer membrane protein 3a (II*;G;d) [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" 95.83 356 97.10 97.10 1.61e-143 GB AEJ97514 "outer membrane protein A [Klebsiella pneumoniae KCTC 2242]" 95.83 356 97.10 97.10 1.61e-143 GB AEW60563 "outer membrane protein A [Klebsiella pneumoniae subsp. pneumoniae HS11286]" 95.83 364 97.10 97.10 1.86e-143 GB AFQ66532 "Outer membrane protein A precursor [Klebsiella pneumoniae subsp. pneumoniae 1084]" 95.83 364 97.10 97.10 1.86e-143 GB AGT24954 "outer membrane protein A [Klebsiella pneumoniae JM45]" 95.83 361 97.10 97.10 1.36e-143 PIR JC6558 "outer membrane protein A precursor - Klebsiella pneumoniae" 95.83 356 97.10 97.10 1.61e-143 REF WP_002898408 "MULTISPECIES: membrane protein [Enterobacteriaceae]" 95.83 356 97.10 97.10 1.61e-143 REF WP_004201430 "MULTISPECIES: outer membrane protein A [Klebsiella]" 95.83 356 97.10 97.10 1.59e-143 REF WP_004219211 "membrane protein [Klebsiella pneumoniae]" 95.83 364 97.10 97.10 1.86e-143 REF WP_016529119 "outer membrane protein A [Klebsiella pneumoniae]" 95.83 356 97.10 97.10 1.32e-143 REF WP_032432880 "membrane protein [Klebsiella pneumoniae]" 93.06 358 99.00 99.00 6.24e-142 SP P24017 "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II; Flags: Precursor" 98.15 344 98.11 98.11 8.29e-149 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $KpOmpA_transmembrane_domain 'Klebsiella pneumoniae' 573 Bacteria . Klebsiella pneumoniae 'RV 308' 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 _Details $KpOmpA_transmembrane_domain 'recombinant technology' . Escherichia coli BL21DE3 pET21c-KpOmpA 'protein expressed in inclusion bodies.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KpOmpA_transmembrane_domain 1 mM '[U-13C; U-15N; U-2H]' DHPC 300 mM . NaH2PO4 20 mM . NaCl 100 mM . H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details '1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KpOmpA_transmembrane_domain 1 mM '[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]' DHPC 300 mM . NaH2PO4 20 mM . NaCl 100 mM . H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type micelle _Details '1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KpOmpA_transmembrane_domain 1 mM '[U-15N; 10% 13C]' DHPC 300 mM . NaH2PO4 20 mM . NaCl 100 mM . H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type micelle _Details '1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KpOmpA_transmembrane_domain 1 mM '[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]' DHPC 300 mM . NaH2PO4 20 mM . NaCl 100 mM . H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ 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_NMRView _Saveframe_category software _Name NMRView _Version v5.2.2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Three radio-frequency 1H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance probe, z-gradient coil.' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' save_ ############################# # NMR applied experiments # ############################# save_2D_[15N,1H]-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N,1H]-TROSY' _Sample_label $sample_1 save_ save_3D_[15N,1H]-TROSY-HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [15N,1H]-TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_[15N,1H]-TROSY-HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [15N,1H]-TROSY-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_[15N,1H]-TROSY-HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [15N,1H]-TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_[15N,1H]-TROSY-HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [15N,1H]-TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_(HNCA)CC-TOCSY-(CA)-[15N,1H]-TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HNCA)CC-TOCSY-(CA)-[15N,1H]-TROSY' _Sample_label $sample_1 save_ save_3D_(H)C(CC)-TOCSY-(CA)-[15N,1H]-TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CC)-TOCSY-(CA)-[15N,1H]-TROSY' _Sample_label $sample_2 save_ save_3D_H(CCCO)-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)-TOCSY' _Sample_label $sample_2 save_ save_2D_[1H,13C]-CT-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H,13C]-CT-HSQC' _Sample_label $sample_3 save_ save_4D_15N,15N-separated_HMQC-NOESY-TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 15N,15N-separated HMQC-NOESY-TROSY' _Sample_label $sample_1 save_ save_3D_15N,13C-separated_HMQC-NOESY-TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N,13C-separated HMQC-NOESY-TROSY' _Sample_label $sample_4 save_ save_3D_13C,13C-separated_HMQC-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,13C-separated HMQC-NOESY' _Sample_label $sample_4 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 6.5 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_Assignment_KpOmpA _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D [15N,1H]-TROSY' '3D [15N,1H]-TROSY-HNCACB' '3D [15N,1H]-TROSY-HN(CO)CACB' '3D [15N,1H]-TROSY-HNCO' '3D [15N,1H]-TROSY-HN(CA)CO' '3D (HNCA)CC-TOCSY-(CA)-[15N,1H]-TROSY' '3D (H)C(CC)-TOCSY-(CA)-[15N,1H]-TROSY' '3D H(CCCO)-TOCSY' '2D [1H,13C]-CT-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'KpOmpA transmembrane 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 2 2 ARG C C 175.857 . 1 2 2 2 ARG CA C 55.872 . 1 3 2 2 ARG CB C 29.983 . 1 4 2 2 ARG CD C 42.767 . 1 5 3 3 ILE H H 8.238 . 1 6 3 3 ILE HD1 H 0.939 . 1 7 3 3 ILE C C 175.763 . 1 8 3 3 ILE CA C 60.779 . 1 9 3 3 ILE CB C 37.664 . 1 10 3 3 ILE CD1 C 11.670 . 1 11 3 3 ILE CG1 C 26.012 . 1 12 3 3 ILE CG2 C 16.537 . 1 13 3 3 ILE N N 122.580 . 1 14 4 4 MET H H 8.261 . 1 15 4 4 MET C C 175.660 . 1 16 4 4 MET CA C 54.893 . 1 17 4 4 MET CB C 32.060 . 1 18 4 4 MET CE C 18.007 . 1 19 4 4 MET CG C 31.173 . 1 20 4 4 MET N N 123.988 . 1 21 5 5 LYS H H 8.041 . 1 22 5 5 LYS C C 175.850 . 1 23 5 5 LYS CA C 56.081 . 1 24 5 5 LYS CB C 32.220 . 1 25 5 5 LYS CE C 43.479 . 1 26 5 5 LYS CG C 23.586 . 1 27 5 5 LYS N N 122.015 . 1 28 6 6 ALA H H 8.042 . 1 29 6 6 ALA HB H 1.413 . 1 30 6 6 ALA C C 177.160 . 1 31 6 6 ALA CA C 52.109 . 1 32 6 6 ALA CB C 18.637 . 1 33 6 6 ALA N N 123.943 . 1 34 7 7 ILE H H 7.916 . 1 35 7 7 ILE HD1 H 0.870 . 1 36 7 7 ILE C C 175.611 . 1 37 7 7 ILE CA C 61.181 . 1 38 7 7 ILE CB C 37.910 . 1 39 7 7 ILE CD1 C 12.116 . 1 40 7 7 ILE CG1 C 26.000 . 1 41 7 7 ILE CG2 C 16.453 . 1 42 7 7 ILE N N 118.380 . 1 43 8 8 PHE H H 8.167 . 1 44 8 8 PHE C C 175.363 . 1 45 8 8 PHE CA C 57.286 . 1 46 8 8 PHE CB C 39.008 . 1 47 8 8 PHE N N 121.971 . 1 48 9 9 VAL H H 7.872 . 1 49 9 9 VAL HG1 H 0.962 . 1 50 9 9 VAL HG2 H 0.972 . 1 51 9 9 VAL C C 175.405 . 1 52 9 9 VAL CA C 61.662 . 1 53 9 9 VAL CB C 32.026 . 1 54 9 9 VAL CG1 C 20.096 . 1 55 9 9 VAL CG2 C 19.624 . 1 56 9 9 VAL N N 120.864 . 1 57 10 10 LEU H H 8.077 . 1 58 10 10 LEU HD1 H 1.007 . 1 59 10 10 LEU HD2 H 0.956 . 1 60 10 10 LEU C C 176.652 . 1 61 10 10 LEU CA C 54.856 . 1 62 10 10 LEU CB C 41.401 . 1 63 10 10 LEU CD1 C 23.644 . 1 64 10 10 LEU CD2 C 22.560 . 1 65 10 10 LEU CG C 25.955 . 1 66 10 10 LEU N N 124.826 . 1 67 11 11 ASN H H 8.177 . 1 68 11 11 ASN C C 174.394 . 1 69 11 11 ASN CA C 52.704 . 1 70 11 11 ASN CB C 38.468 . 1 71 11 11 ASN N N 119.029 . 1 72 12 12 ALA H H 7.991 . 1 73 12 12 ALA HB H 1.392 . 1 74 12 12 ALA C C 176.649 . 1 75 12 12 ALA CA C 51.950 . 1 76 12 12 ALA CB C 18.659 . 1 77 12 12 ALA N N 123.695 . 1 78 13 13 ALA H H 8.083 . 1 79 13 13 ALA C C 175.395 . 1 80 13 13 ALA CA C 49.797 . 1 81 13 13 ALA CB C 17.486 . 1 82 13 13 ALA N N 124.281 . 1 83 14 14 PRO C C 176.641 . 1 84 14 14 PRO CA C 62.675 . 1 85 14 14 PRO CB C 31.000 . 1 86 14 14 PRO CG C 26.390 . 1 87 15 15 LYS H H 8.283 . 1 88 15 15 LYS C C 175.683 . 1 89 15 15 LYS CA C 55.429 . 1 90 15 15 LYS CB C 32.246 . 1 91 15 15 LYS CD C 28.130 . 1 92 15 15 LYS CG C 23.528 . 1 93 15 15 LYS N N 119.069 . 1 94 16 16 ASP H H 7.880 . 1 95 16 16 ASP C C 175.419 . 1 96 16 16 ASP CA C 54.413 . 1 97 16 16 ASP CB C 40.224 . 1 98 16 16 ASP N N 119.625 . 1 99 17 17 ASN H H 7.973 . 1 100 17 17 ASN C C 174.231 . 1 101 17 17 ASN CA C 53.948 . 1 102 17 17 ASN CB C 37.009 . 1 103 17 17 ASN N N 118.063 . 1 104 18 18 THR H H 7.318 . 1 105 18 18 THR C C 172.323 . 1 106 18 18 THR CA C 60.153 . 1 107 18 18 THR CB C 71.534 . 1 108 18 18 THR CG2 C 20.735 . 1 109 18 18 THR N N 109.092 . 1 110 19 19 TRP H H 8.541 . 1 111 19 19 TRP C C 175.969 . 1 112 19 19 TRP CA C 55.700 . 1 113 19 19 TRP CB C 31.471 . 1 114 19 19 TRP N N 121.992 . 1 115 20 20 TYR H H 8.691 . 1 116 20 20 TYR C C 173.684 . 1 117 20 20 TYR CA C 55.805 . 1 118 20 20 TYR CB C 40.513 . 1 119 20 20 TYR N N 116.519 . 1 120 21 21 ALA H H 8.876 . 1 121 21 21 ALA C C 175.395 . 1 122 21 21 ALA CA C 50.970 . 1 123 21 21 ALA CB C 22.142 . 1 124 21 21 ALA N N 119.359 . 1 125 22 22 GLY H H 8.613 . 1 126 22 22 GLY C C 171.458 . 1 127 22 22 GLY CA C 45.608 . 1 128 22 22 GLY N N 106.678 . 1 129 23 23 GLY H H 7.911 . 1 130 23 23 GLY C C 170.563 . 1 131 23 23 GLY CA C 44.026 . 1 132 23 23 GLY N N 103.399 . 1 133 24 24 LYS H H 9.001 . 1 134 24 24 LYS C C 172.965 . 1 135 24 24 LYS CA C 54.062 . 1 136 24 24 LYS CB C 36.774 . 1 137 24 24 LYS CD C 28.086 . 1 138 24 24 LYS CE C 41.714 . 1 139 24 24 LYS CG C 23.088 . 1 140 24 24 LYS N N 116.402 . 1 141 25 25 LEU H H 8.587 . 1 142 25 25 LEU HD1 H 1.125 . 1 143 25 25 LEU HD2 H 1.160 . 1 144 25 25 LEU C C 175.205 . 1 145 25 25 LEU CA C 53.446 . 1 146 25 25 LEU CB C 46.287 . 1 147 25 25 LEU CD1 C 23.937 . 1 148 25 25 LEU CD2 C 23.697 . 1 149 25 25 LEU CG C 26.176 . 1 150 25 25 LEU N N 119.932 . 1 151 26 26 GLY H H 8.637 . 1 152 26 26 GLY C C 170.804 . 1 153 26 26 GLY CA C 45.669 . 1 154 26 26 GLY N N 108.136 . 1 155 27 27 TRP H H 8.642 . 1 156 27 27 TRP HE1 H 10.358 . 1 157 27 27 TRP C C 174.820 . 1 158 27 27 TRP CB C 30.883 . 1 159 27 27 TRP N N 120.887 . 1 160 27 27 TRP NE1 N 129.438 . 1 161 32 32 ASP C C 176.315 . 1 162 32 32 ASP CA C 53.737 . 1 163 32 32 ASP CB C 41.230 . 1 164 33 33 THR H H 8.190 . 1 165 33 33 THR HG2 H 1.316 . 1 166 33 33 THR C C 175.291 . 1 167 33 33 THR CA C 61.909 . 1 168 33 33 THR CB C 68.961 . 1 169 33 33 THR CG2 C 20.830 . 1 170 33 33 THR N N 114.235 . 1 171 34 34 GLY H H 8.341 . 1 172 34 34 GLY C C 173.766 . 1 173 34 34 GLY CA C 44.941 . 1 174 34 34 GLY N N 110.678 . 1 175 35 35 PHE H H 7.945 . 1 176 35 35 PHE C C 175.411 . 1 177 35 35 PHE CA C 57.921 . 1 178 35 35 PHE CB C 38.806 . 1 179 35 35 PHE N N 120.533 . 1 180 36 36 TYR H H 7.967 . 1 181 36 36 TYR C C 176.104 . 1 182 36 36 TYR CA C 57.568 . 1 183 36 36 TYR CB C 37.727 . 1 184 36 36 TYR N N 120.254 . 1 185 37 37 GLY H H 7.666 . 1 186 37 37 GLY C C 173.794 . 1 187 37 37 GLY CA C 45.007 . 1 188 37 37 GLY N N 108.995 . 1 189 38 38 ASN H H 8.109 . 1 190 38 38 ASN C C 175.612 . 1 191 38 38 ASN CA C 52.954 . 1 192 38 38 ASN CB C 38.425 . 1 193 38 38 ASN N N 118.603 . 1 194 39 39 GLY H H 8.202 . 1 195 39 39 GLY C C 173.958 . 1 196 39 39 GLY CA C 45.012 . 1 197 39 39 GLY N N 108.897 . 1 198 40 40 PHE H H 7.960 . 1 199 40 40 PHE C C 175.653 . 1 200 40 40 PHE CA C 57.556 . 1 201 40 40 PHE CB C 38.513 . 1 202 40 40 PHE N N 119.829 . 1 203 41 41 GLN H H 8.173 . 1 204 41 41 GLN C C 175.234 . 1 205 41 41 GLN CA C 55.488 . 1 206 41 41 GLN CB C 28.523 . 1 207 41 41 GLN CG C 32.959 . 1 208 41 41 GLN N N 120.810 . 1 209 42 42 ASN H H 8.193 . 1 210 42 42 ASN C C 174.618 . 1 211 42 42 ASN CA C 52.924 . 1 212 42 42 ASN CB C 38.333 . 1 213 42 42 ASN N N 119.679 . 1 214 43 43 ASN H H 8.255 . 1 215 43 43 ASN C C 173.873 . 1 216 43 43 ASN CA C 52.919 . 1 217 43 43 ASN CB C 38.580 . 1 218 43 43 ASN N N 119.773 . 1 219 44 44 ASN H H 7.865 . 1 220 44 44 ASN C C 175.518 . 1 221 44 44 ASN CA C 54.528 . 1 222 44 44 ASN CB C 40.170 . 1 223 44 44 ASN CG C 179.178 . 1 224 44 44 ASN N N 124.152 . 1 225 46 46 PRO C C 177.228 . 1 226 46 46 PRO CA C 62.794 . 1 227 46 46 PRO CB C 31.283 . 1 228 46 46 PRO CG C 26.089 . 1 229 47 47 THR H H 8.165 . 1 230 47 47 THR HG2 H 1.284 . 1 231 47 47 THR C C 174.573 . 1 232 47 47 THR CA C 61.346 . 1 233 47 47 THR CB C 69.573 . 1 234 47 47 THR CG2 C 20.889 . 1 235 47 47 THR N N 114.265 . 1 236 48 48 ARG H H 8.237 . 1 237 48 48 ARG C C 175.898 . 1 238 48 48 ARG CA C 55.717 . 1 239 48 48 ARG CB C 30.151 . 1 240 48 48 ARG CD C 42.431 . 1 241 48 48 ARG CG C 26.127 . 1 242 48 48 ARG N N 122.795 . 1 243 49 49 ASN H H 8.369 . 1 244 49 49 ASN C C 174.560 . 1 245 49 49 ASN CA C 53.005 . 1 246 49 49 ASN CB C 38.761 . 1 247 49 49 ASN N N 119.837 . 1 248 50 50 ASP H H 8.192 . 1 249 50 50 ASP C C 175.699 . 1 250 50 50 ASP CA C 54.289 . 1 251 50 50 ASP CB C 41.264 . 1 252 50 50 ASP N N 120.403 . 1 253 51 51 GLN H H 8.428 . 1 254 51 51 GLN C C 175.186 . 1 255 51 51 GLN CA C 54.512 . 1 256 51 51 GLN CB C 30.424 . 1 257 51 51 GLN CG C 33.628 . 1 258 51 51 GLN N N 118.959 . 1 259 52 52 LEU HD1 H 1.034 . 1 260 52 52 LEU HD2 H 1.044 . 1 261 52 52 LEU C C 176.018 . 1 262 52 52 LEU CA C 54.332 . 1 263 52 52 LEU CB C 43.022 . 1 264 52 52 LEU CD1 C 26.571 . 1 265 52 52 LEU CD2 C 23.789 . 1 266 53 53 GLY H H 8.639 . 1 267 53 53 GLY C C 171.931 . 1 268 53 53 GLY CA C 43.501 . 1 269 53 53 GLY N N 109.964 . 1 270 54 54 ALA H H 8.881 . 1 271 54 54 ALA C C 175.543 . 1 272 54 54 ALA CA C 50.710 . 1 273 54 54 ALA CB C 22.914 . 1 274 54 54 ALA N N 120.413 . 1 275 55 55 GLY H H 8.346 . 1 276 55 55 GLY C C 170.960 . 1 277 55 55 GLY CA C 46.704 . 1 278 55 55 GLY N N 104.688 . 1 279 56 56 ALA H H 9.116 . 1 280 56 56 ALA C C 176.472 . 1 281 56 56 ALA CA C 49.638 . 1 282 56 56 ALA CB C 22.275 . 1 283 56 56 ALA N N 120.608 . 1 284 57 57 PHE H H 8.688 . 1 285 57 57 PHE C C 172.816 . 1 286 57 57 PHE CA C 56.066 . 1 287 57 57 PHE CB C 41.770 . 1 288 57 57 PHE N N 120.027 . 1 289 58 58 GLY H H 9.034 . 1 290 58 58 GLY C C 170.860 . 1 291 58 58 GLY CA C 44.954 . 1 292 58 58 GLY N N 105.817 . 1 293 59 59 GLY H H 8.382 . 1 294 59 59 GLY C C 169.284 . 1 295 59 59 GLY CA C 45.840 . 1 296 59 59 GLY N N 109.059 . 1 297 60 60 TYR H H 8.430 . 1 298 60 60 TYR C C 173.453 . 1 299 60 60 TYR CA C 55.282 . 1 300 60 60 TYR CB C 41.712 . 1 301 60 60 TYR N N 118.352 . 1 302 61 61 GLN H H 8.833 . 1 303 61 61 GLN C C 174.365 . 1 304 61 61 GLN CA C 54.125 . 1 305 61 61 GLN CB C 28.033 . 1 306 61 61 GLN CG C 31.714 . 1 307 61 61 GLN N N 129.628 . 1 308 62 62 VAL H H 8.714 . 1 309 62 62 VAL HG1 H 1.206 . 1 310 62 62 VAL HG2 H 1.246 . 1 311 62 62 VAL C C 175.758 . 1 312 62 62 VAL CA C 64.649 . 1 313 62 62 VAL CB C 31.900 . 1 314 62 62 VAL CG1 C 20.327 . 1 315 62 62 VAL CG2 C 20.950 . 1 316 62 62 VAL N N 127.666 . 1 317 63 63 ASN H H 8.062 . 1 318 63 63 ASN C C 172.827 . 1 319 63 63 ASN CA C 51.575 . 1 320 63 63 ASN CB C 37.194 . 1 321 63 63 ASN N N 116.310 . 1 322 64 64 PRO C C 175.071 . 1 323 64 64 PRO CA C 65.296 . 1 324 64 64 PRO CB C 30.428 . 1 325 65 65 TYR H H 7.873 . 1 326 65 65 TYR C C 175.145 . 1 327 65 65 TYR CA C 56.125 . 1 328 65 65 TYR CB C 39.189 . 1 329 65 65 TYR N N 112.894 . 1 330 66 66 LEU H H 7.308 . 1 331 66 66 LEU HD1 H 0.842 . 1 332 66 66 LEU HD2 H 0.986 . 1 333 66 66 LEU C C 173.866 . 1 334 66 66 LEU CA C 53.431 . 1 335 66 66 LEU CB C 44.958 . 1 336 66 66 LEU CD1 C 21.251 . 1 337 66 66 LEU CD2 C 25.086 . 1 338 66 66 LEU CG C 26.301 . 1 339 66 66 LEU N N 120.270 . 1 340 67 67 GLY H H 8.855 . 1 341 67 67 GLY C C 170.698 . 1 342 67 67 GLY CA C 44.008 . 1 343 67 67 GLY N N 114.388 . 1 344 68 68 PHE H H 8.770 . 1 345 68 68 PHE C C 173.386 . 1 346 68 68 PHE CA C 56.507 . 1 347 68 68 PHE CB C 42.428 . 1 348 68 68 PHE N N 117.510 . 1 349 69 69 GLU H H 9.079 . 1 350 69 69 GLU C C 174.556 . 1 351 69 69 GLU CA C 54.939 . 1 352 69 69 GLU CB C 33.963 . 1 353 69 69 GLU CG C 35.979 . 1 354 69 69 GLU N N 120.562 . 1 355 70 70 MET H H 9.481 . 1 356 70 70 MET C C 174.595 . 1 357 70 70 MET CA C 53.091 . 1 358 70 70 MET CB C 36.159 . 1 359 70 70 MET CE C 16.790 . 1 360 70 70 MET CG C 31.497 . 1 361 70 70 MET N N 124.928 . 1 362 71 71 GLY H H 8.845 . 1 363 71 71 GLY C C 170.811 . 1 364 71 71 GLY CA C 44.624 . 1 365 71 71 GLY N N 108.896 . 1 366 72 72 TYR H H 8.925 . 1 367 72 72 TYR C C 173.278 . 1 368 72 72 TYR CA C 55.912 . 1 369 72 72 TYR CB C 41.611 . 1 370 72 72 TYR N N 123.253 . 1 371 73 73 ASP H H 8.665 . 1 372 73 73 ASP C C 173.598 . 1 373 73 73 ASP CA C 52.857 . 1 374 73 73 ASP CB C 42.774 . 1 375 73 73 ASP N N 126.178 . 1 376 74 74 TRP H H 9.080 . 1 377 74 74 TRP C C 174.868 . 1 378 74 74 TRP CB C 30.083 . 1 379 74 74 TRP N N 121.824 . 1 380 78 78 MET C C 174.548 . 1 381 78 78 MET CA C 54.388 . 1 382 78 78 MET CB C 32.542 . 1 383 79 79 ALA H H 8.105 . 1 384 79 79 ALA C C 176.629 . 1 385 79 79 ALA CA C 51.210 . 1 386 79 79 ALA CB C 19.106 . 1 387 79 79 ALA N N 125.778 . 1 388 80 80 TYR H H 8.035 . 1 389 80 80 TYR C C 175.604 . 1 390 80 80 TYR CA C 57.021 . 1 391 80 80 TYR CB C 38.416 . 1 392 80 80 TYR N N 120.045 . 1 393 81 81 LYS H H 8.295 . 1 394 81 81 LYS C C 176.647 . 1 395 81 81 LYS CA C 56.285 . 1 396 81 81 LYS CB C 31.571 . 1 397 81 81 LYS CG C 23.584 . 1 398 81 81 LYS N N 123.191 . 1 399 82 82 GLY H H 8.117 . 1 400 82 82 GLY C C 174.010 . 1 401 82 82 GLY CA C 44.982 . 1 402 82 82 GLY N N 110.014 . 1 403 83 83 SER H H 7.938 . 1 404 83 83 SER C C 174.634 . 1 405 83 83 SER CA C 57.685 . 1 406 83 83 SER CB C 63.303 . 1 407 83 83 SER N N 115.655 . 1 408 84 84 VAL H H 8.008 . 1 409 84 84 VAL HG1 H 1.008 . 1 410 84 84 VAL HG2 H 1.007 . 1 411 84 84 VAL C C 175.525 . 1 412 84 84 VAL CA C 61.769 . 1 413 84 84 VAL CB C 31.711 . 1 414 84 84 VAL CG1 C 20.182 . 1 415 84 84 VAL CG2 C 18.963 . 1 416 84 84 VAL N N 120.054 . 1 417 85 85 ASP H H 8.140 . 1 418 85 85 ASP C C 174.740 . 1 419 85 85 ASP CA C 53.983 . 1 420 85 85 ASP CB C 40.633 . 1 421 85 85 ASP N N 122.510 . 1 422 86 86 ASN H H 7.736 . 1 423 86 86 ASN C C 175.970 . 1 424 86 86 ASN CA C 54.349 . 1 425 86 86 ASN CB C 40.490 . 1 426 86 86 ASN CG C 179.062 . 1 427 86 86 ASN N N 124.290 . 1 428 87 87 GLY H H 8.000 . 1 429 87 87 GLY C C 173.456 . 1 430 87 87 GLY CA C 44.973 . 1 431 87 87 GLY N N 113.494 . 1 432 88 88 ALA H H 8.024 . 1 433 88 88 ALA C C 176.833 . 1 434 88 88 ALA CA C 51.734 . 1 435 88 88 ALA CB C 19.818 . 1 436 88 88 ALA N N 122.676 . 1 437 91 91 ALA C C 174.781 . 1 438 91 91 ALA CA C 50.537 . 1 439 91 91 ALA CB C 21.324 . 1 440 92 92 GLN H H 8.451 . 1 441 92 92 GLN C C 173.557 . 1 442 92 92 GLN CA C 53.380 . 1 443 92 92 GLN CG C 32.735 . 1 444 92 92 GLN N N 116.847 . 1 445 93 93 GLY C C 170.631 . 1 446 93 93 GLY CA C 45.718 . 1 447 94 94 VAL H H 8.686 . 1 448 94 94 VAL HG1 H 1.136 . 1 449 94 94 VAL HG2 H 1.181 . 1 450 94 94 VAL C C 173.698 . 1 451 94 94 VAL CA C 58.997 . 1 452 94 94 VAL CB C 33.311 . 1 453 94 94 VAL CG1 C 19.849 . 1 454 94 94 VAL CG2 C 20.748 . 1 455 94 94 VAL N N 118.489 . 1 456 95 95 GLN H H 9.468 . 1 457 95 95 GLN C C 174.028 . 1 458 95 95 GLN CA C 52.547 . 1 459 95 95 GLN CB C 33.816 . 1 460 95 95 GLN CG C 31.692 . 1 461 95 95 GLN N N 122.106 . 1 462 96 96 LEU H H 8.484 . 1 463 96 96 LEU HD1 H 1.079 . 1 464 96 96 LEU HD2 H 1.006 . 1 465 96 96 LEU C C 175.322 . 1 466 96 96 LEU CA C 53.736 . 1 467 96 96 LEU CB C 41.088 . 1 468 96 96 LEU CD1 C 22.528 . 1 469 96 96 LEU CD2 C 24.529 . 1 470 96 96 LEU CG C 27.020 . 1 471 96 96 LEU N N 123.224 . 1 472 97 97 THR H H 9.116 . 1 473 97 97 THR C C 173.251 . 1 474 97 97 THR CA C 58.931 . 1 475 97 97 THR CB C 72.984 . 1 476 97 97 THR CG2 C 18.855 . 1 477 97 97 THR N N 112.504 . 1 478 98 98 ALA H H 8.603 . 1 479 98 98 ALA C C 174.948 . 1 480 98 98 ALA CA C 49.980 . 1 481 98 98 ALA CB C 19.157 . 1 482 98 98 ALA N N 121.608 . 1 483 99 99 LYS H H 8.890 . 1 484 99 99 LYS C C 174.294 . 1 485 99 99 LYS CA C 54.019 . 1 486 99 99 LYS CB C 33.018 . 1 487 99 99 LYS CD C 27.257 . 1 488 99 99 LYS CE C 42.612 . 1 489 99 99 LYS CG C 22.285 . 1 490 99 99 LYS N N 124.522 . 1 491 100 100 LEU H H 8.985 . 1 492 100 100 LEU HD1 H 0.985 . 1 493 100 100 LEU HD2 H 0.975 . 1 494 100 100 LEU C C 175.265 . 1 495 100 100 LEU CA C 52.698 . 1 496 100 100 LEU CB C 42.889 . 1 497 100 100 LEU CD1 C 23.837 . 1 498 100 100 LEU CD2 C 24.300 . 1 499 100 100 LEU CG C 26.632 . 1 500 100 100 LEU N N 131.876 . 1 501 101 101 GLY H H 9.137 . 1 502 101 101 GLY C C 170.798 . 1 503 101 101 GLY CA C 44.429 . 1 504 101 101 GLY N N 111.928 . 1 505 102 102 TYR H H 8.779 . 1 506 102 102 TYR C C 173.402 . 1 507 102 102 TYR CA C 54.444 . 1 508 102 102 TYR CB C 42.239 . 1 509 102 102 TYR N N 116.664 . 1 510 103 103 PRO C C 175.676 . 1 511 103 103 PRO CA C 61.462 . 1 512 103 103 PRO CB C 30.073 . 1 513 104 104 ILE H H 8.670 . 1 514 104 104 ILE HD1 H 1.010 . 1 515 104 104 ILE C C 176.646 . 1 516 104 104 ILE CA C 62.054 . 1 517 104 104 ILE CB C 37.678 . 1 518 104 104 ILE CD1 C 11.527 . 1 519 104 104 ILE CG2 C 17.067 . 1 520 104 104 ILE N N 125.939 . 1 521 105 105 THR H H 8.129 . 1 522 105 105 THR C C 174.344 . 1 523 105 105 THR CA C 59.176 . 1 524 105 105 THR CB C 71.049 . 1 525 105 105 THR CG2 C 21.471 . 1 526 105 105 THR N N 109.853 . 1 527 106 106 ASP H H 8.424 . 1 528 106 106 ASP C C 175.692 . 1 529 106 106 ASP CA C 56.465 . 1 530 106 106 ASP CB C 40.032 . 1 531 106 106 ASP N N 117.156 . 1 532 107 107 ASP H H 8.124 . 1 533 107 107 ASP C C 174.174 . 1 534 107 107 ASP CA C 52.907 . 1 535 107 107 ASP CB C 41.661 . 1 536 107 107 ASP N N 113.591 . 1 537 108 108 LEU H H 7.336 . 1 538 108 108 LEU HD1 H 0.878 . 1 539 108 108 LEU HD2 H 0.837 . 1 540 108 108 LEU C C 174.321 . 1 541 108 108 LEU CA C 54.449 . 1 542 108 108 LEU CB C 44.754 . 1 543 108 108 LEU CD1 C 23.675 . 1 544 108 108 LEU CD2 C 24.559 . 1 545 108 108 LEU CG C 26.087 . 1 546 108 108 LEU N N 123.244 . 1 547 109 109 ASP H H 8.943 . 1 548 109 109 ASP C C 176.248 . 1 549 109 109 ASP CA C 52.376 . 1 550 109 109 ASP CB C 42.764 . 1 551 109 109 ASP N N 124.634 . 1 552 110 110 ILE H H 8.372 . 1 553 110 110 ILE HD1 H 0.947 . 1 554 110 110 ILE C C 173.735 . 1 555 110 110 ILE CA C 59.129 . 1 556 110 110 ILE CB C 39.402 . 1 557 110 110 ILE CD1 C 12.693 . 1 558 110 110 ILE CG1 C 26.580 . 1 559 110 110 ILE CG2 C 16.274 . 1 560 110 110 ILE N N 119.135 . 1 561 111 111 TYR H H 8.695 . 1 562 111 111 TYR C C 172.838 . 1 563 111 111 TYR CA C 56.182 . 1 564 111 111 TYR CB C 41.489 . 1 565 111 111 TYR N N 121.248 . 1 566 112 112 THR H H 9.172 . 1 567 112 112 THR C C 173.850 . 1 568 112 112 THR CA C 58.246 . 1 569 112 112 THR CB C 71.676 . 1 570 112 112 THR CG2 C 19.857 . 1 571 112 112 THR N N 110.671 . 1 572 113 113 ARG H H 8.732 . 1 573 113 113 ARG C C 175.037 . 1 574 113 113 ARG CA C 53.995 . 1 575 113 113 ARG CB C 32.266 . 1 576 113 113 ARG CD C 41.965 . 1 577 113 113 ARG CG C 29.618 . 1 578 113 113 ARG N N 120.642 . 1 579 114 114 LEU H H 8.449 . 1 580 114 114 LEU HD1 H 1.101 . 1 581 114 114 LEU HD2 H 1.169 . 1 582 114 114 LEU C C 175.812 . 1 583 114 114 LEU CA C 53.335 . 1 584 114 114 LEU CB C 45.182 . 1 585 114 114 LEU CD1 C 24.750 . 1 586 114 114 LEU CD2 C 24.611 . 1 587 114 114 LEU CG C 26.203 . 1 588 114 114 LEU N N 119.078 . 1 589 115 115 GLY H H 8.232 . 1 590 115 115 GLY C C 171.343 . 1 591 115 115 GLY CA C 46.217 . 1 592 115 115 GLY N N 108.966 . 1 593 116 116 GLY H H 8.293 . 1 594 116 116 GLY C C 169.856 . 1 595 116 116 GLY CA C 44.084 . 1 596 116 116 GLY N N 109.676 . 1 597 117 117 MET H H 9.286 . 1 598 117 117 MET C C 174.557 . 1 599 117 117 MET CA C 53.258 . 1 600 117 117 MET CB C 37.195 . 1 601 117 117 MET CE C 20.853 . 1 602 117 117 MET CG C 30.665 . 1 603 117 117 MET N N 120.425 . 1 604 118 118 VAL H H 9.062 . 1 605 118 118 VAL HG1 H 1.053 . 1 606 118 118 VAL HG2 H 1.053 . 1 607 118 118 VAL C C 173.993 . 1 608 118 118 VAL CA C 59.883 . 1 609 118 118 VAL CB C 31.782 . 1 610 118 118 VAL CG1 C 19.888 . 1 611 118 118 VAL CG2 C 19.888 . 1 612 118 118 VAL N N 126.948 . 1 613 119 119 TRP H H 8.482 . 1 614 119 119 TRP C C 174.608 . 1 615 119 119 TRP CA C 53.332 . 1 616 119 119 TRP CB C 33.569 . 1 617 119 119 TRP N N 124.631 . 1 618 120 120 ARG H H 9.113 . 1 619 120 120 ARG C C 174.951 . 1 620 120 120 ARG CA C 54.684 . 1 621 120 120 ARG CB C 33.424 . 1 622 120 120 ARG N N 117.899 . 1 623 121 121 ALA H H 9.299 . 1 624 121 121 ALA C C 175.954 . 1 625 121 121 ALA CA C 50.368 . 1 626 121 121 ALA CB C 21.141 . 1 627 121 121 ALA N N 128.863 . 1 628 122 122 ASP H H 8.488 . 1 629 122 122 ASP C C 175.635 . 1 630 122 122 ASP CA C 53.891 . 1 631 122 122 ASP CB C 42.492 . 1 632 122 122 ASP N N 121.721 . 1 633 123 123 SER H H 8.466 . 1 634 123 123 SER C C 174.325 . 1 635 123 123 SER CA C 57.325 . 1 636 123 123 SER CB C 63.988 . 1 637 123 123 SER N N 117.374 . 1 638 124 124 LYS H H 8.389 . 1 639 124 124 LYS C C 176.840 . 1 640 124 124 LYS CA C 56.036 . 1 641 124 124 LYS CB C 32.397 . 1 642 124 124 LYS CG C 23.554 . 1 643 124 124 LYS N N 122.883 . 1 644 125 125 GLY H H 8.281 . 1 645 125 125 GLY C C 173.592 . 1 646 125 125 GLY CA C 44.924 . 1 647 125 125 GLY N N 109.541 . 1 648 126 126 ASN H H 8.185 . 1 649 126 126 ASN C C 176.649 . 1 650 126 126 ASN CA C 52.763 . 1 651 126 126 ASN CB C 38.439 . 1 652 126 126 ASN N N 119.019 . 1 653 127 127 TYR C C 176.913 . 1 654 127 127 TYR CA C 57.757 . 1 655 127 127 TYR CB C 37.703 . 1 656 128 128 ALA H H 8.050 . 1 657 128 128 ALA HB H 1.454 . 1 658 128 128 ALA C C 177.756 . 1 659 128 128 ALA CA C 52.321 . 1 660 128 128 ALA CB C 18.273 . 1 661 128 128 ALA N N 124.529 . 1 662 129 129 SER H H 8.063 . 1 663 129 129 SER C C 174.938 . 1 664 129 129 SER CA C 58.202 . 1 665 129 129 SER CB C 62.974 . 1 666 129 129 SER N N 114.374 . 1 667 130 130 THR H H 7.875 . 1 668 130 130 THR HG2 H 1.296 . 1 669 130 130 THR C C 175.198 . 1 670 130 130 THR CA C 61.520 . 1 671 130 130 THR CB C 69.312 . 1 672 130 130 THR CG2 C 20.695 . 1 673 130 130 THR N N 113.608 . 1 674 131 131 GLY H H 8.219 . 1 675 131 131 GLY C C 173.979 . 1 676 131 131 GLY CA C 44.991 . 1 677 131 131 GLY N N 110.848 . 1 678 132 132 VAL H H 7.729 . 1 679 132 132 VAL HG1 H 1.016 . 1 680 132 132 VAL HG2 H 1.005 . 1 681 132 132 VAL C C 175.988 . 1 682 132 132 VAL CA C 61.643 . 1 683 132 132 VAL CB C 31.941 . 1 684 132 132 VAL CG1 C 19.997 . 1 685 132 132 VAL CG2 C 19.223 . 1 686 132 132 VAL N N 118.932 . 1 687 133 133 SER H H 8.224 . 1 688 133 133 SER C C 174.320 . 1 689 133 133 SER CA C 57.756 . 1 690 133 133 SER CB C 63.140 . 1 691 133 133 SER N N 119.260 . 1 692 134 134 ARG H H 8.199 . 1 693 134 134 ARG C C 175.923 . 1 694 134 134 ARG CA C 55.461 . 1 695 134 134 ARG CB C 30.195 . 1 696 134 134 ARG CD C 42.438 . 1 697 134 134 ARG CG C 26.021 . 1 698 134 134 ARG N N 123.262 . 1 699 135 135 SER H H 8.256 . 1 700 135 135 SER C C 174.360 . 1 701 135 135 SER CA C 57.730 . 1 702 135 135 SER CB C 63.275 . 1 703 135 135 SER N N 117.155 . 1 704 136 136 GLU H H 8.374 . 1 705 136 136 GLU C C 176.284 . 1 706 136 136 GLU CA C 56.082 . 1 707 136 136 GLU CB C 29.820 . 1 708 136 136 GLU CG C 35.378 . 1 709 136 136 GLU N N 122.812 . 1 710 137 137 HIS H H 8.118 . 1 711 137 137 HIS C C 173.529 . 1 712 137 137 HIS CA C 54.793 . 1 713 137 137 HIS CB C 30.191 . 1 714 137 137 HIS N N 118.002 . 1 715 138 138 ASP H H 8.572 . 1 716 138 138 ASP C C 174.940 . 1 717 138 138 ASP CA C 53.594 . 1 718 138 138 ASP CB C 42.165 . 1 719 138 138 ASP N N 121.536 . 1 720 139 139 THR H H 7.857 . 1 721 139 139 THR C C 172.822 . 1 722 139 139 THR CA C 59.197 . 1 723 139 139 THR CB C 71.457 . 1 724 139 139 THR CG2 C 20.602 . 1 725 139 139 THR N N 113.598 . 1 726 140 140 GLY C C 169.622 . 1 727 140 140 GLY CA C 44.287 . 1 728 141 141 VAL H H 7.815 . 1 729 141 141 VAL HG1 H 0.976 . 1 730 141 141 VAL HG2 H 0.976 . 1 731 141 141 VAL C C 176.038 . 1 732 141 141 VAL CA C 59.739 . 1 733 141 141 VAL CB C 33.308 . 1 734 141 141 VAL CG1 C 19.997 . 1 735 141 141 VAL CG2 C 19.997 . 1 736 141 141 VAL N N 116.224 . 1 737 142 142 SER H H 9.284 . 1 738 142 142 SER C C 171.050 . 1 739 142 142 SER CB C 67.608 . 1 740 142 142 SER N N 123.223 . 1 741 143 143 PRO C C 174.032 . 1 742 143 143 PRO CA C 62.350 . 1 743 143 143 PRO CB C 31.774 . 1 744 143 143 PRO CG C 26.648 . 1 745 144 144 VAL H H 7.785 . 1 746 144 144 VAL HG1 H 0.619 . 1 747 144 144 VAL HG2 H 0.734 . 1 748 144 144 VAL C C 172.826 . 1 749 144 144 VAL CA C 59.770 . 1 750 144 144 VAL CB C 34.407 . 1 751 144 144 VAL CG1 C 18.854 . 1 752 144 144 VAL CG2 C 21.253 . 1 753 144 144 VAL N N 120.214 . 1 754 145 145 PHE H H 8.623 . 1 755 145 145 PHE C C 173.658 . 1 756 145 145 PHE CA C 54.942 . 1 757 145 145 PHE CB C 42.692 . 1 758 145 145 PHE N N 123.914 . 1 759 146 146 ALA H H 8.886 . 1 760 146 146 ALA C C 176.258 . 1 761 146 146 ALA CA C 49.734 . 1 762 146 146 ALA CB C 22.244 . 1 763 146 146 ALA N N 125.243 . 1 764 147 147 GLY H H 8.470 . 1 765 147 147 GLY C C 170.940 . 1 766 147 147 GLY CA C 44.063 . 1 767 147 147 GLY N N 106.669 . 1 768 148 148 GLY H H 8.008 . 1 769 148 148 GLY C C 170.181 . 1 770 148 148 GLY CA C 45.736 . 1 771 148 148 GLY N N 109.475 . 1 772 149 149 VAL H H 8.426 . 1 773 149 149 VAL HG1 H 1.026 . 1 774 149 149 VAL HG2 H 1.040 . 1 775 149 149 VAL C C 174.157 . 1 776 149 149 VAL CA C 58.200 . 1 777 149 149 VAL CB C 34.464 . 1 778 149 149 VAL CG1 C 20.458 . 1 779 149 149 VAL CG2 C 19.033 . 1 780 149 149 VAL N N 112.651 . 1 781 150 150 GLU H H 9.070 . 1 782 150 150 GLU C C 173.892 . 1 783 150 150 GLU CA C 54.617 . 1 784 150 150 GLU CB C 32.911 . 1 785 150 150 GLU CG C 37.250 . 1 786 150 150 GLU N N 124.471 . 1 787 151 151 TRP H H 9.461 . 1 788 151 151 TRP HE1 H 9.767 . 1 789 151 151 TRP C C 174.370 . 1 790 151 151 TRP CA C 54.113 . 1 791 151 151 TRP CB C 31.688 . 1 792 151 151 TRP N N 129.611 . 1 793 151 151 TRP NE1 N 128.720 . 1 794 152 152 ALA H H 8.771 . 1 795 152 152 ALA C C 175.079 . 1 796 152 152 ALA CA C 51.417 . 1 797 152 152 ALA CB C 17.209 . 1 798 152 152 ALA N N 130.502 . 1 799 153 153 VAL H H 7.893 . 1 800 153 153 VAL HG1 H 0.761 . 1 801 153 153 VAL HG2 H 0.610 . 1 802 153 153 VAL C C 176.612 . 1 803 153 153 VAL CA C 63.600 . 1 804 153 153 VAL CB C 31.280 . 1 805 153 153 VAL CG1 C 20.141 . 1 806 153 153 VAL CG2 C 19.991 . 1 807 153 153 VAL N N 124.360 . 1 808 154 154 THR H H 7.950 . 1 809 154 154 THR HG2 H 1.240 . 1 810 154 154 THR C C 173.884 . 1 811 154 154 THR CA C 58.655 . 1 812 154 154 THR CB C 71.262 . 1 813 154 154 THR CG2 C 21.572 . 1 814 154 154 THR N N 109.176 . 1 815 155 155 ARG H H 8.310 . 1 816 155 155 ARG C C 176.753 . 1 817 155 155 ARG CA C 58.456 . 1 818 155 155 ARG CB C 29.043 . 1 819 155 155 ARG CD C 42.433 . 1 820 155 155 ARG CG C 25.381 . 1 821 155 155 ARG N N 116.576 . 1 822 156 156 ASP H H 7.783 . 1 823 156 156 ASP C C 174.222 . 1 824 156 156 ASP CA C 53.540 . 1 825 156 156 ASP CB C 42.327 . 1 826 156 156 ASP N N 112.950 . 1 827 157 157 ILE H H 7.233 . 1 828 157 157 ILE HD1 H 0.941 . 1 829 157 157 ILE C C 174.178 . 1 830 157 157 ILE CA C 59.350 . 1 831 157 157 ILE CB C 38.969 . 1 832 157 157 ILE CD1 C 12.001 . 1 833 157 157 ILE CG2 C 16.077 . 1 834 157 157 ILE N N 119.732 . 1 835 158 158 ALA H H 8.729 . 1 836 158 158 ALA C C 176.567 . 1 837 158 158 ALA CA C 49.418 . 1 838 158 158 ALA CB C 21.430 . 1 839 158 158 ALA N N 128.564 . 1 840 159 159 THR H H 8.972 . 1 841 159 159 THR HG2 H 1.243 . 1 842 159 159 THR C C 172.213 . 1 843 159 159 THR CA C 59.504 . 1 844 159 159 THR CB C 70.728 . 1 845 159 159 THR CG2 C 20.709 . 1 846 159 159 THR N N 114.901 . 1 847 160 160 ARG H H 8.924 . 1 848 160 160 ARG C C 174.097 . 1 849 160 160 ARG CA C 53.066 . 1 850 160 160 ARG CB C 32.922 . 1 851 160 160 ARG CD C 42.472 . 1 852 160 160 ARG CG C 23.378 . 1 853 160 160 ARG N N 121.507 . 1 854 161 161 LEU H H 8.611 . 1 855 161 161 LEU HD1 H 1.077 . 1 856 161 161 LEU HD2 H 0.993 . 1 857 161 161 LEU C C 174.389 . 1 858 161 161 LEU CA C 53.355 . 1 859 161 161 LEU CB C 44.360 . 1 860 161 161 LEU CD1 C 22.865 . 1 861 161 161 LEU CD2 C 24.797 . 1 862 161 161 LEU N N 124.711 . 1 863 162 162 GLU H H 8.746 . 1 864 162 162 GLU C C 173.376 . 1 865 162 162 GLU CA C 53.904 . 1 866 162 162 GLU CB C 33.773 . 1 867 162 162 GLU CG C 36.606 . 1 868 162 162 GLU N N 122.300 . 1 869 163 163 TYR H H 8.872 . 1 870 163 163 TYR C C 173.425 . 1 871 163 163 TYR CA C 56.192 . 1 872 163 163 TYR CB C 40.870 . 1 873 163 163 TYR N N 124.618 . 1 874 171 171 ASP C C 175.753 . 1 875 171 171 ASP CA C 53.517 . 1 876 171 171 ASP CB C 41.353 . 1 877 172 172 ALA H H 8.336 . 1 878 172 172 ALA HB H 1.364 . 1 879 172 172 ALA C C 178.110 . 1 880 172 172 ALA CA C 52.190 . 1 881 172 172 ALA CB C 18.305 . 1 882 172 172 ALA N N 125.294 . 1 883 173 173 GLY H H 8.300 . 1 884 173 173 GLY C C 174.437 . 1 885 173 173 GLY CA C 45.083 . 1 886 173 173 GLY N N 107.268 . 1 887 174 174 THR H H 7.754 . 1 888 174 174 THR C C 174.738 . 1 889 174 174 THR CA C 61.310 . 1 890 174 174 THR CB C 69.310 . 1 891 174 174 THR CG2 C 20.393 . 1 892 174 174 THR N N 113.472 . 1 893 175 175 VAL H H 7.993 . 1 894 175 175 VAL HG1 H 1.020 . 1 895 175 175 VAL HG2 H 1.025 . 1 896 175 175 VAL C C 176.535 . 1 897 175 175 VAL CA C 62.126 . 1 898 175 175 VAL CB C 31.282 . 1 899 175 175 VAL CG1 C 19.998 . 1 900 175 175 VAL CG2 C 19.415 . 1 901 175 175 VAL N N 121.643 . 1 902 176 176 GLY H H 8.056 . 1 903 176 176 GLY C C 173.930 . 1 904 176 176 GLY CA C 44.983 . 1 905 176 176 GLY N N 110.460 . 1 906 177 177 THR H H 7.520 . 1 907 177 177 THR C C 173.574 . 1 908 177 177 THR CA C 60.609 . 1 909 177 177 THR CB C 69.506 . 1 910 177 177 THR CG2 C 20.680 . 1 911 177 177 THR N N 113.390 . 1 912 178 178 ARG H H 8.261 . 1 913 178 178 ARG C C 173.932 . 1 914 178 178 ARG CA C 53.683 . 1 915 178 178 ARG CB C 29.224 . 1 916 178 178 ARG CD C 42.770 . 1 917 178 178 ARG CG C 26.562 . 1 918 178 178 ARG N N 123.906 . 1 919 183 183 MET C C 174.053 . 1 920 183 183 MET CA C 53.700 . 1 921 183 183 MET CB C 35.908 . 1 922 183 183 MET CE C 17.809 . 1 923 183 183 MET CG C 29.993 . 1 924 184 184 LEU H H 8.319 . 1 925 184 184 LEU C C 175.235 . 1 926 184 184 LEU CA C 53.120 . 1 927 184 184 LEU CB C 42.857 . 1 928 184 184 LEU CD1 C 24.869 . 2 929 184 184 LEU CD2 C 22.679 . 2 930 184 184 LEU N N 131.293 . 1 931 185 185 SER H H 9.603 . 1 932 185 185 SER C C 171.293 . 1 933 185 185 SER CA C 56.504 . 1 934 185 185 SER CB C 66.585 . 1 935 185 185 SER N N 119.338 . 1 936 186 186 LEU H H 8.583 . 1 937 186 186 LEU HD1 H 1.123 . 1 938 186 186 LEU HD2 H 1.041 . 1 939 186 186 LEU C C 175.328 . 1 940 186 186 LEU CA C 52.729 . 1 941 186 186 LEU CB C 44.996 . 1 942 186 186 LEU CD1 C 23.451 . 1 943 186 186 LEU CD2 C 24.473 . 1 944 186 186 LEU N N 122.719 . 1 945 187 187 GLY H H 9.287 . 1 946 187 187 GLY C C 172.315 . 1 947 187 187 GLY CA C 43.502 . 1 948 187 187 GLY N N 110.265 . 1 949 188 188 VAL H H 8.825 . 1 950 188 188 VAL HG1 H 1.045 . 1 951 188 188 VAL HG2 H 1.045 . 1 952 188 188 VAL C C 173.125 . 1 953 188 188 VAL CA C 59.739 . 1 954 188 188 VAL CB C 34.532 . 1 955 188 188 VAL CG1 C 19.903 . 1 956 188 188 VAL CG2 C 19.903 . 1 957 188 188 VAL N N 119.161 . 1 958 189 189 SER H H 9.051 . 1 959 189 189 SER C C 171.698 . 1 960 189 189 SER CA C 55.997 . 1 961 189 189 SER CB C 66.094 . 1 962 189 189 SER N N 117.810 . 1 963 190 190 TYR H H 9.145 . 1 964 190 190 TYR C C 174.063 . 1 965 190 190 TYR CA C 55.375 . 1 966 190 190 TYR CB C 41.183 . 1 967 190 190 TYR N N 123.690 . 1 968 191 191 ARG H H 8.211 . 1 969 191 191 ARG C C 174.826 . 1 970 191 191 ARG CA C 54.464 . 1 971 191 191 ARG CB C 30.507 . 1 972 191 191 ARG CD C 42.532 . 1 973 191 191 ARG CG C 26.074 . 1 974 191 191 ARG N N 125.366 . 1 975 192 192 PHE H H 8.496 . 1 976 192 192 PHE C C 176.384 . 1 977 192 192 PHE CA C 57.179 . 1 978 192 192 PHE CB C 39.430 . 1 979 192 192 PHE N N 121.586 . 1 980 193 193 GLY H H 8.643 . 1 981 193 193 GLY C C 174.466 . 1 982 193 193 GLY CA C 45.126 . 1 983 193 193 GLY N N 109.499 . 1 984 194 194 GLN H H 8.512 . 1 985 194 194 GLN C C 176.201 . 1 986 194 194 GLN CA C 55.433 . 1 987 194 194 GLN CB C 28.729 . 1 988 194 194 GLN CG C 33.243 . 1 989 194 194 GLN N N 119.448 . 1 990 195 195 GLU H H 8.530 . 1 991 195 195 GLU C C 176.151 . 1 992 195 195 GLU CA C 56.256 . 1 993 195 195 GLU CB C 29.486 . 1 994 195 195 GLU CG C 35.368 . 1 995 195 195 GLU N N 121.959 . 1 996 196 196 ASP H H 8.253 . 1 997 196 196 ASP C C 175.667 . 1 998 196 196 ASP CA C 53.981 . 1 999 196 196 ASP CB C 40.700 . 1 1000 196 196 ASP N N 121.819 . 1 1001 197 197 ALA H H 7.999 . 1 1002 197 197 ALA HB H 1.444 . 1 1003 197 197 ALA C C 176.847 . 1 1004 197 197 ALA CA C 51.612 . 1 1005 197 197 ALA CB C 18.192 . 1 1006 197 197 ALA N N 124.262 . 1 1007 198 198 ALA H H 8.042 . 1 1008 198 198 ALA C C 176.865 . 1 1009 198 198 ALA CA C 49.999 . 1 1010 198 198 ALA CB C 17.327 . 1 1011 198 198 ALA N N 124.724 . 1 1012 199 199 PRO C C 176.727 . 1 1013 199 199 PRO CA C 62.399 . 1 1014 199 199 PRO CB C 30.949 . 1 1015 199 199 PRO CD C 53.040 . 1 1016 199 199 PRO CG C 26.284 . 1 1017 200 200 VAL H H 8.026 . 1 1018 200 200 VAL HG1 H 1.017 . 1 1019 200 200 VAL HG2 H 1.058 . 1 1020 200 200 VAL C C 176.034 . 1 1021 200 200 VAL CA C 61.944 . 1 1022 200 200 VAL CB C 31.734 . 1 1023 200 200 VAL CG1 C 19.947 . 1 1024 200 200 VAL CG2 C 19.350 . 1 1025 200 200 VAL N N 120.635 . 1 1026 201 201 VAL H H 7.966 . 1 1027 201 201 VAL HG1 H 1.008 . 1 1028 201 201 VAL HG2 H 1.008 . 1 1029 201 201 VAL C C 175.128 . 1 1030 201 201 VAL CA C 61.249 . 1 1031 201 201 VAL CB C 31.917 . 1 1032 201 201 VAL CG1 C 19.975 . 1 1033 201 201 VAL CG2 C 19.191 . 1 1034 201 201 VAL N N 124.053 . 1 1035 202 202 ALA H H 8.159 . 1 1036 202 202 ALA C C 175.153 . 1 1037 202 202 ALA CA C 49.742 . 1 1038 202 202 ALA CB C 17.532 . 1 1039 202 202 ALA N N 129.251 . 1 1040 203 203 PRO C C 176.273 . 1 1041 203 203 PRO CA C 62.324 . 1 1042 203 203 PRO CB C 31.042 . 1 1043 203 203 PRO CG C 26.259 . 1 1044 204 204 ALA H H 8.137 . 1 1045 204 204 ALA C C 175.697 . 1 1046 204 204 ALA CA C 49.865 . 1 1047 204 204 ALA CB C 17.364 . 1 1048 204 204 ALA N N 125.510 . 1 1049 205 205 PRO C C 175.430 . 1 1050 205 205 PRO CA C 62.511 . 1 1051 205 205 PRO CB C 31.056 . 1 1052 205 205 PRO CG C 26.217 . 1 1053 206 206 ALA H H 7.847 . 1 1054 206 206 ALA C C 175.565 . 1 1055 206 206 ALA CA C 49.487 . 1 1056 206 206 ALA CB C 18.843 . 1 1057 206 206 ALA N N 123.663 . 1 1058 207 207 PRO C C 174.397 . 1 1059 207 207 PRO CA C 61.454 . 1 1060 207 207 PRO CB C 31.929 . 1 1061 208 208 ALA H H 7.898 . 1 1062 208 208 ALA C C 175.411 . 1 1063 208 208 ALA CA C 49.472 . 1 1064 208 208 ALA CB C 19.082 . 1 1065 208 208 ALA N N 127.450 . 1 1066 209 209 PRO C C 176.932 . 1 1067 209 209 PRO CA C 62.736 . 1 1068 209 209 PRO CB C 31.012 . 1 1069 209 209 PRO CD C 50.098 . 1 1070 209 209 PRO CG C 26.302 . 1 1071 210 210 GLU H H 8.308 . 1 1072 210 210 GLU C C 176.271 . 1 1073 210 210 GLU CA C 56.135 . 1 1074 210 210 GLU CB C 29.340 . 1 1075 210 210 GLU CG C 35.295 . 1 1076 210 210 GLU N N 120.488 . 1 stop_ save_