data_18796 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of OmpX in phopspholipid nanodiscs ; _BMRB_accession_number 18796 _BMRB_flat_file_name bmr18796.str _Entry_type original _Submission_date 2012-10-21 _Accession_date 2012-10-21 _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 Hagn Franz X. . 2 Etzkorn Manuel . . 3 Raschle Thomas . . 4 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 131 "13C chemical shifts" 377 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2012-12-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18797 'OmpX in DPC micelles' 4936 'chemical shifts in DHPC detergent micelles' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Optimized phospholipid bilayer nanodiscs facilitate high-resolution structure determination of membrane proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23294159 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hagn Franz . . 2 Etzkorn Manuel . . 3 Raschle Thomas . . 4 Wagner Gerhard . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 135 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1919 _Page_last 1925 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'OmpX in phopspholipid nanodiscs' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OmpX $OmpX stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_OmpX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OmpX _Molecular_mass 16395.943 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ATSTVTGGYAQSDAQGQMNK MGGFNLKYRYEEDNSPLGVI GSFTYTEKSRTASSGDYNKN QYYGITAGPAYRINDWASIY GVVGVGYGKFQTTEYPTYKH DTSDYGFSYGAGLQFNPMEN VALDFSYEQSRIRSVDVGTW IAGVGYRF ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 SER 4 THR 5 VAL 6 THR 7 GLY 8 GLY 9 TYR 10 ALA 11 GLN 12 SER 13 ASP 14 ALA 15 GLN 16 GLY 17 GLN 18 MET 19 ASN 20 LYS 21 MET 22 GLY 23 GLY 24 PHE 25 ASN 26 LEU 27 LYS 28 TYR 29 ARG 30 TYR 31 GLU 32 GLU 33 ASP 34 ASN 35 SER 36 PRO 37 LEU 38 GLY 39 VAL 40 ILE 41 GLY 42 SER 43 PHE 44 THR 45 TYR 46 THR 47 GLU 48 LYS 49 SER 50 ARG 51 THR 52 ALA 53 SER 54 SER 55 GLY 56 ASP 57 TYR 58 ASN 59 LYS 60 ASN 61 GLN 62 TYR 63 TYR 64 GLY 65 ILE 66 THR 67 ALA 68 GLY 69 PRO 70 ALA 71 TYR 72 ARG 73 ILE 74 ASN 75 ASP 76 TRP 77 ALA 78 SER 79 ILE 80 TYR 81 GLY 82 VAL 83 VAL 84 GLY 85 VAL 86 GLY 87 TYR 88 GLY 89 LYS 90 PHE 91 GLN 92 THR 93 THR 94 GLU 95 TYR 96 PRO 97 THR 98 TYR 99 LYS 100 HIS 101 ASP 102 THR 103 SER 104 ASP 105 TYR 106 GLY 107 PHE 108 SER 109 TYR 110 GLY 111 ALA 112 GLY 113 LEU 114 GLN 115 PHE 116 ASN 117 PRO 118 MET 119 GLU 120 ASN 121 VAL 122 ALA 123 LEU 124 ASP 125 PHE 126 SER 127 TYR 128 GLU 129 GLN 130 SER 131 ARG 132 ILE 133 ARG 134 SER 135 VAL 136 ASP 137 VAL 138 GLY 139 THR 140 TRP 141 ILE 142 ALA 143 GLY 144 VAL 145 GLY 146 TYR 147 ARG 148 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 15201 Outer_membrane_protein_X 100.00 148 100.00 100.00 9.78e-102 BMRB 18797 OmpX 100.00 148 100.00 100.00 9.78e-102 BMRB 19892 OUTER_MEMBRANE_PROTEIN_X 100.00 148 99.32 100.00 1.18e-100 PDB 1ORM "Nmr Fold Of The Outer Membrane Protein Ompx In Dhpc Micelles" 99.32 148 99.32 100.00 7.08e-100 PDB 1Q9F "Nmr Structure Of The Outer Membrane Protein Ompx In Dhpc Micelles" 100.00 148 99.32 100.00 1.18e-100 PDB 1Q9G "Nmr Structure Of The Outer Membrane Protein Ompx In Dhpc Micelles" 100.00 148 99.32 100.00 1.18e-100 PDB 1QJ8 "Crystal Structure Of The Outer Membrane Protein Ompx From Escherichia Coli" 100.00 148 99.32 100.00 1.18e-100 PDB 1QJ9 "Crystal Structure Of The Outer Membrane Protein Ompx From Escherichia Coli" 100.00 148 99.32 100.00 1.18e-100 PDB 2M06 "Nmr Structure Of Ompx In Phopspholipid Nanodiscs" 100.00 148 100.00 100.00 9.78e-102 PDB 2M07 "Nmr Structure Of Ompx In Dpc Micelles" 100.00 148 100.00 100.00 9.78e-102 PDB 2MNH "Refined Structure Of Outer Membrane Protein X In Nanodisc By Measuring Residual Dipolar Couplings" 100.00 148 99.32 100.00 1.18e-100 DBJ BAA35486 "outer membrane protein [Escherichia coli str. K12 substr. W3110]" 100.00 171 100.00 100.00 1.11e-102 DBJ BAB34315 "outer membrane protein X [Escherichia coli O157:H7 str. Sakai]" 100.00 171 100.00 100.00 1.11e-102 DBJ BAG76394 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 171 100.00 100.00 1.11e-102 DBJ BAI24257 "outer membrane protein X [Escherichia coli O26:H11 str. 11368]" 100.00 171 100.00 100.00 1.11e-102 DBJ BAI29701 "outer membrane protein X [Escherichia coli O103:H2 str. 12009]" 100.00 171 100.00 100.00 1.11e-102 EMBL CAP75284 "Outer membrane protein X [Escherichia coli LF82]" 100.00 171 100.00 100.00 1.11e-102 EMBL CAQ31315 "outer membrane protein X [Escherichia coli BL21(DE3)]" 100.00 171 100.00 100.00 1.11e-102 EMBL CAQ97717 "outer membrane protein [Escherichia coli IAI1]" 100.00 171 100.00 100.00 1.11e-102 EMBL CAR02170 "outer membrane protein [Escherichia coli S88]" 100.00 171 100.00 100.00 1.11e-102 EMBL CAR06985 "outer membrane protein [Escherichia coli ED1a]" 100.00 171 100.00 100.00 1.11e-102 GB AAA21856 "similar to outer membrane protein X from Enterobacter cloacae, Swiss-Prot Accession Number P25253; ORF2, partial [Escherichia c" 77.03 137 100.00 100.00 3.04e-75 GB AAA66329 "outer membrane protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 171 100.00 100.00 1.11e-102 GB AAC73901 "outer membrane protein X [Escherichia coli str. K-12 substr. MG1655]" 100.00 171 100.00 100.00 1.11e-102 GB AAG55186 "outer membrane protein X [Escherichia coli O157:H7 str. EDL933]" 100.00 171 100.00 100.00 1.11e-102 GB AAN42399 "outer membrane protein X [Shigella flexneri 2a str. 301]" 100.00 171 100.00 100.00 1.11e-102 REF NP_308919 "outer membrane protein X [Escherichia coli O157:H7 str. Sakai]" 100.00 171 100.00 100.00 1.11e-102 REF NP_415335 "outer membrane protein X [Escherichia coli str. K-12 substr. MG1655]" 100.00 171 100.00 100.00 1.11e-102 REF NP_706692 "outer membrane protein X [Shigella flexneri 2a str. 301]" 100.00 171 100.00 100.00 1.11e-102 REF WP_001295296 "MULTISPECIES: outer membrane protein X [Proteobacteria]" 100.00 171 100.00 100.00 1.11e-102 REF WP_001340109 "outer membrane protein X [Escherichia coli]" 100.00 171 100.00 100.00 1.30e-102 SP P0A917 "RecName: Full=Outer membrane protein X; Flags: Precursor" 100.00 171 100.00 100.00 1.11e-102 SP P0A918 "RecName: Full=Outer membrane protein X; Flags: Precursor" 100.00 171 100.00 100.00 1.11e-102 SP P0A919 "RecName: Full=Outer membrane protein X; Flags: Precursor" 100.00 171 100.00 100.00 1.11e-102 SP P0A920 "RecName: Full=Outer membrane protein X; Flags: Precursor" 100.00 171 100.00 100.00 1.11e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $OmpX Enterobacteria 562 Bacteria . Escherichia coli 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 $OmpX 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET11a 'Cloned into pET11a via NdeI/BamHI sites' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 10 mM [U-2H] 'sodium azide' 0.05 % 'natural abundance' $OmpX 0.8 mM '[U-13C; U-15N; U-2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name OmpX _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA CA C 51.76 0.05 1 2 1 1 ALA C C 173.90 0.05 1 3 2 2 THR H H 8.32 0.02 1 4 2 2 THR CA C 61.12 0.05 1 5 2 2 THR CB C 71.73 0.05 1 6 2 2 THR C C 173.41 0.05 1 7 2 2 THR N N 114.82 0.05 1 8 3 3 SER H H 8.85 0.02 1 9 3 3 SER C C 172.34 0.05 1 10 3 3 SER CA C 57.07 0.05 1 11 3 3 SER CB C 65.89 0.05 1 12 3 3 SER N N 123.13 0.05 1 13 4 4 THR H H 8.45 0.02 1 14 4 4 THR C C 174.51 0.05 1 15 4 4 THR CA C 61.29 0.05 1 16 4 4 THR CB C 70.60 0.05 1 17 4 4 THR N N 116.78 0.05 1 18 5 5 VAL H H 8.61 0.02 1 19 5 5 VAL C C 174.60 0.05 1 20 5 5 VAL CA C 59.53 0.05 1 21 5 5 VAL CB C 33.64 0.05 1 22 5 5 VAL N N 128.54 0.05 1 23 6 6 THR H H 8.76 0.02 1 24 6 6 THR C C 172.76 0.05 1 25 6 6 THR CA C 58.52 0.05 1 26 6 6 THR CB C 71.16 0.05 1 27 6 6 THR N N 116.03 0.05 1 28 7 7 GLY H H 8.57 0.02 1 29 7 7 GLY C C 172.31 0.05 1 30 7 7 GLY CA C 44.23 0.05 1 31 7 7 GLY N N 106.03 0.05 1 32 8 8 GLY H H 8.94 0.02 1 33 8 8 GLY C C 172.77 0.05 1 34 8 8 GLY CA C 45.74 0.05 1 35 8 8 GLY N N 106.07 0.05 1 36 9 9 TYR H H 8.20 0.02 1 37 9 9 TYR C C 171.99 0.05 1 38 9 9 TYR CA C 56.65 0.05 1 39 9 9 TYR CB C 41.42 0.05 1 40 9 9 TYR N N 121.42 0.05 1 41 10 10 ALA H H 6.66 0.02 1 42 10 10 ALA C C 174.00 0.05 1 43 10 10 ALA CA C 47.04 0.05 1 44 10 10 ALA CB C 22.56 0.05 1 45 10 10 ALA N N 128.53 0.05 1 46 11 11 GLN H H 8.04 0.02 1 47 11 11 GLN C C 175.30 0.05 1 48 11 11 GLN CA C 53.67 0.05 1 49 11 11 GLN CB C 31.92 0.05 1 50 11 11 GLN N N 121.25 0.05 1 51 12 12 SER H H 9.01 0.02 1 52 12 12 SER C C 172.45 0.05 1 53 12 12 SER CA C 56.98 0.05 1 54 12 12 SER CB C 64.30 0.05 1 55 12 12 SER N N 123.87 0.05 1 56 13 13 ASP H H 8.92 0.02 1 57 13 13 ASP C C 174.67 0.05 1 58 13 13 ASP CA C 52.70 0.05 1 59 13 13 ASP CB C 42.89 0.05 1 60 13 13 ASP N N 124.62 0.05 1 61 14 14 ALA H H 8.46 0.02 1 62 14 14 ALA C C 176.03 0.05 1 63 14 14 ALA CA C 49.57 0.05 1 64 14 14 ALA CB C 19.61 0.05 1 65 14 14 ALA N N 128.74 0.05 1 66 15 15 GLN H H 8.18 0.02 1 67 15 15 GLN C C 176.49 0.05 1 68 15 15 GLN CA C 57.02 0.05 1 69 15 15 GLN CB C 28.21 0.05 1 70 15 15 GLN N N 123.17 0.05 1 71 16 16 GLY H H 8.50 0.02 1 72 16 16 GLY C C 174.41 0.05 1 73 16 16 GLY CA C 44.99 0.05 1 74 16 16 GLY N N 112.56 0.05 1 75 17 17 GLN H H 7.60 0.02 1 76 17 17 GLN C C 176.10 0.05 1 77 17 17 GLN CA C 54.62 0.05 1 78 17 17 GLN N N 119.43 0.05 1 79 18 18 MET H H 8.42 0.02 1 80 18 18 MET C C 175.29 0.05 1 81 18 18 MET CA C 56.02 0.05 1 82 18 18 MET CB C 32.08 0.05 1 83 18 18 MET N N 120.13 0.05 1 84 19 19 ASN H H 7.84 0.02 1 85 19 19 ASN C C 174.40 0.05 1 86 19 19 ASN CA C 52.40 0.05 1 87 19 19 ASN N N 117.52 0.05 1 88 20 20 LYS H H 8.33 0.02 1 89 20 20 LYS C C 176.15 0.05 1 90 20 20 LYS CA C 55.90 0.05 1 91 20 20 LYS CB C 31.98 0.05 1 92 20 20 LYS N N 121.24 0.05 1 93 21 21 MET H H 8.41 0.02 1 94 21 21 MET C C 174.98 0.05 1 95 21 21 MET CA C 54.52 0.05 1 96 21 21 MET CB C 34.89 0.05 1 97 21 21 MET N N 120.17 0.05 1 98 22 22 GLY H H 8.32 0.02 1 99 22 22 GLY C C 173.60 0.05 1 100 22 22 GLY CA C 43.64 0.05 1 101 22 22 GLY N N 111.24 0.05 1 102 23 23 GLY H H 7.94 0.02 1 103 23 23 GLY C C 171.70 0.05 1 104 23 23 GLY CA C 46.05 0.05 1 105 23 23 GLY N N 109.67 0.05 1 106 24 24 PHE H H 9.14 0.02 1 107 24 24 PHE C C 171.09 0.05 1 108 24 24 PHE CA C 54.40 0.05 1 109 24 24 PHE CB C 43.47 0.05 1 110 24 24 PHE N N 120.63 0.05 1 111 25 25 ASN H H 8.33 0.02 1 112 25 25 ASN C C 172.02 0.05 1 113 25 25 ASN CA C 50.64 0.05 1 114 25 25 ASN CB C 46.56 0.05 1 115 25 25 ASN N N 118.50 0.05 1 116 26 26 LEU H H 9.19 0.02 1 117 26 26 LEU C C 175.37 0.05 1 118 26 26 LEU CA C 53.30 0.05 1 119 26 26 LEU CB C 46.71 0.05 1 120 26 26 LEU N N 125.59 0.05 1 121 27 27 LYS H H 8.70 0.02 1 122 27 27 LYS C C 175.00 0.05 1 123 27 27 LYS CA C 55.10 0.05 1 124 27 27 LYS CB C 36.69 0.05 1 125 27 27 LYS N N 117.46 0.05 1 126 28 28 TYR H H 8.22 0.02 1 127 28 28 TYR C C 171.93 0.05 1 128 28 28 TYR CA C 56.30 0.05 1 129 28 28 TYR CB C 42.10 0.05 1 130 28 28 TYR N N 119.94 0.05 1 131 29 29 ARG H H 8.33 0.02 1 132 29 29 ARG C C 172.15 0.05 1 133 29 29 ARG CA C 52.80 0.05 1 134 29 29 ARG CB C 34.40 0.05 1 135 29 29 ARG N N 129.38 0.05 1 136 30 30 TYR H H 8.70 0.02 1 137 30 30 TYR C C 174.95 0.05 1 138 30 30 TYR CA C 56.71 0.05 1 139 30 30 TYR CB C 41.98 0.05 1 140 30 30 TYR N N 126.93 0.05 1 141 31 31 GLU H H 8.04 0.02 1 142 31 31 GLU C C 173.88 0.05 1 143 31 31 GLU CA C 54.50 0.05 1 144 31 31 GLU CB C 32.58 0.05 1 145 31 31 GLU N N 128.36 0.05 1 146 32 32 GLU H H 8.93 0.02 1 147 32 32 GLU C C 176.63 0.05 1 148 32 32 GLU CA C 54.35 0.05 1 149 32 32 GLU CB C 30.81 0.05 1 150 32 32 GLU N N 122.49 0.05 1 151 33 33 ASP H H 8.42 0.02 1 152 33 33 ASP C C 176.80 0.05 1 153 33 33 ASP CA C 55.72 0.05 1 154 33 33 ASP CB C 40.41 0.05 1 155 33 33 ASP N N 121.91 0.05 1 156 34 34 ASN H H 8.28 0.02 1 157 34 34 ASN C C 174.04 0.05 1 158 34 34 ASN CA C 53.26 0.05 1 159 34 34 ASN CB C 38.00 0.05 1 160 34 34 ASN N N 115.12 0.05 1 161 35 35 SER H H 7.15 0.02 1 162 35 35 SER C C 173.88 0.05 1 163 35 35 SER CA C 54.11 0.05 1 164 35 35 SER CB C 64.99 0.05 1 165 35 35 SER N N 112.88 0.05 1 166 36 36 PRO CA C 63.11 0.05 1 167 36 36 PRO CB C 31.60 0.05 1 168 37 37 LEU H H 7.83 0.02 1 169 37 37 LEU C C 176.10 0.05 1 170 37 37 LEU CA C 53.66 0.05 1 171 37 37 LEU CB C 43.83 0.05 1 172 37 37 LEU N N 123.25 0.05 1 173 38 38 GLY H H 8.87 0.02 1 174 38 38 GLY C C 172.42 0.05 1 175 38 38 GLY CA C 44.49 0.05 1 176 38 38 GLY N N 116.10 0.05 1 177 39 39 VAL H H 7.88 0.02 1 178 39 39 VAL C C 171.22 0.05 1 179 39 39 VAL CA C 58.88 0.05 1 180 39 39 VAL CB C 35.65 0.05 1 181 39 39 VAL N N 117.66 0.05 1 182 40 40 ILE H H 9.03 0.02 1 183 40 40 ILE C C 171.69 0.05 1 184 40 40 ILE CA C 58.13 0.05 1 185 40 40 ILE CB C 44.14 0.05 1 186 40 40 ILE N N 125.95 0.05 1 187 41 41 GLY H H 8.91 0.02 1 188 41 41 GLY C C 171.85 0.05 1 189 41 41 GLY CA C 43.13 0.05 1 190 41 41 GLY N N 111.35 0.05 1 191 42 42 SER H H 9.09 0.02 1 192 42 42 SER C C 171.83 0.05 1 193 42 42 SER CA C 56.14 0.05 1 194 42 42 SER CB C 63.11 0.05 1 195 42 42 SER N N 116.57 0.05 1 196 43 43 PHE H H 9.14 0.02 1 197 43 43 PHE C C 172.48 0.05 1 198 43 43 PHE CA C 56.04 0.05 1 199 43 43 PHE CB C 42.74 0.05 1 200 43 43 PHE N N 129.10 0.05 1 201 44 44 THR H H 8.50 0.02 1 202 44 44 THR C C 170.95 0.05 1 203 44 44 THR CA C 60.08 0.05 1 204 44 44 THR CB C 70.45 0.05 1 205 44 44 THR N N 126.85 0.05 1 206 45 45 TYR H H 7.98 0.02 1 207 45 45 TYR C C 173.69 0.05 1 208 45 45 TYR CA C 55.53 0.05 1 209 45 45 TYR CB C 41.01 0.05 1 210 45 45 TYR N N 125.65 0.05 1 211 46 46 THR H H 8.39 0.02 1 212 46 46 THR C C 171.73 0.05 1 213 46 46 THR CA C 58.46 0.05 1 214 46 46 THR CB C 71.74 0.05 1 215 46 46 THR N N 117.48 0.05 1 216 47 47 GLU H H 8.12 0.02 1 217 47 47 GLU C C 175.20 0.05 1 218 47 47 GLU CA C 54.46 0.05 1 219 47 47 GLU CB C 32.78 0.05 1 220 47 47 GLU N N 111.89 0.05 1 221 48 48 LYS C C 173.90 0.05 1 222 48 48 LYS CA C 54.70 0.05 1 223 49 49 SER H H 8.44 0.02 1 224 49 49 SER C C 173.87 0.05 1 225 49 49 SER CA C 58.28 0.05 1 226 49 49 SER CB C 64.18 0.05 1 227 49 49 SER N N 123.53 0.05 1 228 50 50 ARG H H 8.43 0.02 1 229 50 50 ARG C C 175.70 0.05 1 230 50 50 ARG CA C 55.60 0.05 1 231 50 50 ARG CB C 31.08 0.05 1 232 50 50 ARG N N 123.48 0.05 1 233 51 51 THR H H 8.14 0.02 1 234 51 51 THR C C 174.35 0.05 1 235 51 51 THR CA C 61.52 0.05 1 236 51 51 THR N N 116.31 0.05 1 237 52 52 ALA H H 8.32 0.02 1 238 52 52 ALA C C 178.20 0.05 1 239 52 52 ALA CA C 51.86 0.05 1 240 52 52 ALA N N 127.29 0.05 1 241 54 54 SER C C 175.00 0.05 1 242 54 54 SER CA C 58.23 0.05 1 243 55 55 GLY H H 8.07 0.02 1 244 55 55 GLY C C 173.49 0.05 1 245 55 55 GLY CA C 44.75 0.05 1 246 55 55 GLY N N 110.93 0.05 1 247 56 56 ASP H H 7.67 0.02 1 248 56 56 ASP C C 175.22 0.05 1 249 56 56 ASP CA C 53.80 0.05 1 250 56 56 ASP CB C 41.22 0.05 1 251 56 56 ASP N N 120.54 0.05 1 252 57 57 TYR H H 8.07 0.02 1 253 57 57 TYR C C 175.31 0.05 1 254 57 57 TYR CA C 57.12 0.05 1 255 57 57 TYR CB C 38.42 0.05 1 256 57 57 TYR N N 121.32 0.05 1 257 58 58 ASN H H 8.12 0.02 1 258 58 58 ASN C C 173.70 0.05 1 259 58 58 ASN CA C 52.56 0.05 1 260 58 58 ASN CB C 39.80 0.05 1 261 58 58 ASN N N 121.65 0.05 1 262 59 59 LYS H H 8.08 0.02 1 263 59 59 LYS C C 175.26 0.05 1 264 59 59 LYS CA C 55.40 0.05 1 265 59 59 LYS CB C 34.10 0.05 1 266 59 59 LYS N N 121.06 0.05 1 267 60 60 ASN H H 8.19 0.02 1 268 60 60 ASN C C 175.09 0.05 1 269 60 60 ASN CA C 51.81 0.05 1 270 60 60 ASN CB C 40.10 0.05 1 271 60 60 ASN N N 122.50 0.05 1 272 61 61 GLN H H 8.31 0.02 1 273 61 61 GLN C C 172.28 0.05 1 274 61 61 GLN CA C 54.56 0.05 1 275 61 61 GLN CB C 35.25 0.05 1 276 61 61 GLN N N 120.15 0.05 1 277 62 62 TYR H H 8.45 0.02 1 278 62 62 TYR C C 171.38 0.05 1 279 62 62 TYR CA C 56.56 0.05 1 280 62 62 TYR CB C 40.11 0.05 1 281 62 62 TYR N N 123.20 0.05 1 282 63 63 TYR H H 8.20 0.02 1 283 63 63 TYR C C 173.95 0.05 1 284 63 63 TYR CA C 54.56 0.05 1 285 63 63 TYR CB C 41.22 0.05 1 286 63 63 TYR N N 123.19 0.05 1 287 64 64 GLY H H 8.52 0.02 1 288 64 64 GLY C C 174.09 0.05 1 289 64 64 GLY CA C 44.36 0.05 1 290 64 64 GLY N N 106.85 0.05 1 291 65 65 ILE H H 8.95 0.02 1 292 65 65 ILE C C 174.29 0.05 1 293 65 65 ILE CA C 60.04 0.05 1 294 65 65 ILE CB C 39.41 0.05 1 295 65 65 ILE N N 129.11 0.05 1 296 66 66 THR H H 8.82 0.02 1 297 66 66 THR C C 172.45 0.05 1 298 66 66 THR CA C 58.71 0.05 1 299 66 66 THR CB C 73.51 0.05 1 300 66 66 THR N N 115.54 0.05 1 301 67 67 ALA H H 9.19 0.02 1 302 67 67 ALA C C 176.51 0.05 1 303 67 67 ALA CA C 51.45 0.05 1 304 67 67 ALA CB C 22.34 0.05 1 305 67 67 ALA N N 119.09 0.05 1 306 68 68 GLY H H 8.83 0.02 1 307 68 68 GLY C C 169.52 0.05 1 308 68 68 GLY CA C 45.86 0.05 1 309 68 68 GLY N N 104.16 0.05 1 310 69 69 PRO CA C 61.21 0.05 1 311 69 69 PRO CB C 32.64 0.05 1 312 70 70 ALA H H 7.71 0.02 1 313 70 70 ALA C C 175.27 0.05 1 314 70 70 ALA CA C 49.35 0.05 1 315 70 70 ALA CB C 21.08 0.05 1 316 70 70 ALA N N 120.31 0.05 1 317 71 71 TYR H H 9.60 0.02 1 318 71 71 TYR C C 173.87 0.05 1 319 71 71 TYR CA C 55.88 0.05 1 320 71 71 TYR CB C 42.02 0.05 1 321 71 71 TYR N N 125.35 0.05 1 322 72 72 ARG H H 8.69 0.02 1 323 72 72 ARG C C 174.05 0.05 1 324 72 72 ARG CA C 55.91 0.05 1 325 72 72 ARG CB C 29.58 0.05 1 326 72 72 ARG N N 131.33 0.05 1 327 73 73 ILE H H 8.29 0.02 1 328 73 73 ILE C C 176.20 0.05 1 329 73 73 ILE CA C 62.53 0.05 1 330 73 73 ILE N N 129.10 0.05 1 331 76 76 TRP C C 176.21 0.05 1 332 77 77 ALA H H 7.64 0.02 1 333 77 77 ALA C C 175.46 0.05 1 334 77 77 ALA CA C 51.82 0.05 1 335 77 77 ALA N N 124.71 0.05 1 336 78 78 SER H H 7.98 0.02 1 337 78 78 SER C C 175.61 0.05 1 338 78 78 SER CA C 57.13 0.05 1 339 78 78 SER CB C 65.37 0.05 1 340 78 78 SER N N 113.83 0.05 1 341 79 79 ILE H H 8.88 0.02 1 342 79 79 ILE C C 172.45 0.05 1 343 79 79 ILE CA C 58.33 0.05 1 344 79 79 ILE CB C 42.52 0.05 1 345 79 79 ILE N N 119.91 0.05 1 346 80 80 TYR H H 8.25 0.02 1 347 80 80 TYR C C 172.93 0.05 1 348 80 80 TYR CA C 56.00 0.05 1 349 80 80 TYR CB C 41.09 0.05 1 350 80 80 TYR N N 119.90 0.05 1 351 81 81 GLY H H 7.95 0.02 1 352 81 81 GLY C C 170.71 0.05 1 353 81 81 GLY CA C 43.95 0.05 1 354 81 81 GLY N N 106.08 0.05 1 355 82 82 VAL H H 8.36 0.02 1 356 82 82 VAL C C 174.26 0.05 1 357 82 82 VAL CA C 58.08 0.05 1 358 82 82 VAL CB C 35.49 0.05 1 359 82 82 VAL N N 111.24 0.05 1 360 83 83 VAL H H 8.83 0.02 1 361 83 83 VAL C C 174.56 0.05 1 362 83 83 VAL CA C 58.95 0.05 1 363 83 83 VAL CB C 36.04 0.05 1 364 83 83 VAL N N 113.40 0.05 1 365 84 84 GLY H H 8.39 0.02 1 366 84 84 GLY C C 171.18 0.05 1 367 84 84 GLY CA C 46.70 0.05 1 368 84 84 GLY N N 108.00 0.05 1 369 85 85 VAL H H 8.78 0.02 1 370 85 85 VAL C C 172.31 0.05 1 371 85 85 VAL CA C 59.02 0.05 1 372 85 85 VAL CB C 35.76 0.05 1 373 85 85 VAL N N 122.71 0.05 1 374 86 86 GLY H H 8.71 0.02 1 375 86 86 GLY C C 171.91 0.05 1 376 86 86 GLY CA C 43.09 0.05 1 377 86 86 GLY N N 113.89 0.05 1 378 87 87 TYR H H 9.02 0.02 1 379 87 87 TYR C C 173.89 0.05 1 380 87 87 TYR CA C 55.77 0.05 1 381 87 87 TYR CB C 41.59 0.05 1 382 87 87 TYR N N 123.42 0.05 1 383 88 88 GLY H H 7.70 0.02 1 384 88 88 GLY C C 170.37 0.05 1 385 88 88 GLY CA C 44.49 0.05 1 386 88 88 GLY N N 111.63 0.05 1 387 89 89 LYS H H 7.94 0.02 1 388 89 89 LYS C C 173.96 0.05 1 389 89 89 LYS CA C 54.22 0.05 1 390 89 89 LYS N N 122.48 0.05 1 391 90 90 PHE CA C 54.82 0.05 1 392 91 91 GLN H H 8.22 0.02 1 393 91 91 GLN C C 176.06 0.05 1 394 91 91 GLN CA C 55.33 0.05 1 395 91 91 GLN CB C 29.30 0.05 1 396 91 91 GLN N N 121.63 0.05 1 397 92 92 THR H H 8.35 0.02 1 398 92 92 THR C C 174.19 0.05 1 399 92 92 THR CA C 61.00 0.05 1 400 92 92 THR N N 116.91 0.05 1 401 93 93 THR H H 8.12 0.02 1 402 93 93 THR C C 174.13 0.05 1 403 93 93 THR CA C 61.30 0.05 1 404 93 93 THR CB C 69.65 0.05 1 405 93 93 THR N N 116.21 0.05 1 406 94 94 GLU H H 8.18 0.02 1 407 94 94 GLU C C 174.63 0.05 1 408 94 94 GLU CA C 55.45 0.05 1 409 94 94 GLU CB C 30.41 0.05 1 410 94 94 GLU N N 124.15 0.05 1 411 95 95 TYR H H 8.07 0.02 1 412 95 95 TYR C C 174.80 0.05 1 413 95 95 TYR CA C 55.83 0.05 1 414 95 95 TYR CB C 39.30 0.05 1 415 95 95 TYR N N 123.37 0.05 1 416 96 96 PRO CA C 62.99 0.05 1 417 97 97 THR H H 7.68 0.02 1 418 97 97 THR C C 174.00 0.05 1 419 97 97 THR CA C 62.00 0.05 1 420 97 97 THR N N 115.37 0.05 1 421 98 98 TYR H H 7.88 0.02 1 422 98 98 TYR C C 175.18 0.05 1 423 98 98 TYR CA C 57.28 0.05 1 424 98 98 TYR CB C 38.06 0.05 1 425 98 98 TYR N N 122.33 0.05 1 426 99 99 LYS H H 7.84 0.02 1 427 99 99 LYS C C 175.80 0.05 1 428 99 99 LYS CA C 55.80 0.05 1 429 99 99 LYS N N 122.66 0.05 1 430 101 101 ASP C C 176.04 0.05 1 431 101 101 ASP CA C 53.94 0.05 1 432 101 101 ASP CB C 40.70 0.05 1 433 102 102 THR H H 8.03 0.02 1 434 102 102 THR C C 173.90 0.05 1 435 102 102 THR CA C 61.46 0.05 1 436 102 102 THR CB C 70.14 0.05 1 437 102 102 THR N N 114.84 0.05 1 438 103 103 SER H H 8.17 0.02 1 439 103 103 SER C C 173.50 0.05 1 440 103 103 SER CA C 57.41 0.05 1 441 103 103 SER CB C 63.97 0.05 1 442 103 103 SER N N 119.27 0.05 1 443 104 104 ASP H H 8.04 0.02 1 444 104 104 ASP C C 172.87 0.05 1 445 104 104 ASP CA C 53.67 0.05 1 446 104 104 ASP CB C 43.88 0.05 1 447 104 104 ASP N N 122.45 0.05 1 448 105 105 TYR H H 8.52 0.02 1 449 105 105 TYR C C 176.10 0.05 1 450 105 105 TYR CA C 56.11 0.05 1 451 105 105 TYR CB C 40.92 0.05 1 452 105 105 TYR N N 116.32 0.05 1 453 106 106 GLY H H 9.04 0.02 1 454 106 106 GLY C C 172.00 0.05 1 455 106 106 GLY CA C 44.34 0.05 1 456 106 106 GLY N N 108.37 0.05 1 457 107 107 PHE H H 8.64 0.02 1 458 107 107 PHE C C 174.80 0.05 1 459 107 107 PHE CA C 56.93 0.05 1 460 107 107 PHE CB C 40.38 0.05 1 461 107 107 PHE N N 121.26 0.05 1 462 108 108 SER H H 7.87 0.02 1 463 108 108 SER C C 171.25 0.05 1 464 108 108 SER CA C 58.16 0.05 1 465 108 108 SER CB C 65.50 0.05 1 466 108 108 SER N N 116.00 0.05 1 467 109 109 TYR H H 8.51 0.02 1 468 109 109 TYR C C 173.35 0.05 1 469 109 109 TYR CA C 55.20 0.05 1 470 109 109 TYR CB C 39.50 0.05 1 471 109 109 TYR N N 117.90 0.05 1 472 110 110 GLY H H 8.82 0.02 1 473 110 110 GLY C C 171.26 0.05 1 474 110 110 GLY CA C 46.05 0.05 1 475 110 110 GLY N N 106.04 0.05 1 476 111 111 ALA H H 8.29 0.02 1 477 111 111 ALA C C 174.44 0.05 1 478 111 111 ALA CA C 50.77 0.05 1 479 111 111 ALA CB C 22.49 0.05 1 480 111 111 ALA N N 119.09 0.05 1 481 112 112 GLY H H 7.70 0.02 1 482 112 112 GLY C C 169.62 0.05 1 483 112 112 GLY CA C 45.14 0.05 1 484 112 112 GLY N N 106.02 0.05 1 485 113 113 LEU H H 8.81 0.02 1 486 113 113 LEU C C 174.93 0.05 1 487 113 113 LEU CA C 52.63 0.05 1 488 113 113 LEU CB C 46.73 0.05 1 489 113 113 LEU N N 116.41 0.05 1 490 114 114 GLN H H 7.76 0.02 1 491 114 114 GLN C C 176.55 0.05 1 492 114 114 GLN CA C 53.58 0.05 1 493 114 114 GLN CB C 33.20 0.05 1 494 114 114 GLN N N 115.63 0.05 1 495 115 115 PHE H H 9.57 0.02 1 496 115 115 PHE C C 175.30 0.05 1 497 115 115 PHE CA C 55.00 0.05 1 498 115 115 PHE CB C 43.39 0.05 1 499 115 115 PHE N N 126.05 0.05 1 500 116 116 ASN H H 9.30 0.02 1 501 116 116 ASN CA C 51.16 0.05 1 502 116 116 ASN N N 120.04 0.05 1 503 118 118 MET H H 7.20 0.02 1 504 118 118 MET C C 176.15 0.05 1 505 118 118 MET CA C 53.80 0.05 1 506 118 118 MET CB C 36.17 0.05 1 507 118 118 MET N N 110.70 0.05 1 508 119 119 GLU H H 8.94 0.02 1 509 119 119 GLU C C 176.63 0.05 1 510 119 119 GLU CA C 59.43 0.05 1 511 119 119 GLU N N 120.70 0.05 1 512 120 120 ASN H H 8.22 0.02 1 513 120 120 ASN C C 174.02 0.05 1 514 120 120 ASN CA C 53.00 0.05 1 515 120 120 ASN CB C 39.39 0.05 1 516 120 120 ASN N N 111.90 0.05 1 517 121 121 VAL H H 7.38 0.02 1 518 121 121 VAL C C 174.45 0.05 1 519 121 121 VAL CA C 60.48 0.05 1 520 121 121 VAL CB C 34.91 0.05 1 521 121 121 VAL N N 117.73 0.05 1 522 122 122 ALA H H 8.01 0.02 1 523 122 122 ALA C C 175.00 0.05 1 524 122 122 ALA CA C 49.24 0.05 1 525 122 122 ALA CB C 22.92 0.05 1 526 122 122 ALA N N 126.80 0.05 1 527 123 123 LEU H H 8.86 0.02 1 528 123 123 LEU C C 174.14 0.05 1 529 123 123 LEU CA C 53.45 0.05 1 530 123 123 LEU CB C 44.20 0.05 1 531 123 123 LEU N N 120.24 0.05 1 532 124 124 ASP H H 8.40 0.02 1 533 124 124 ASP C C 171.67 0.05 1 534 124 124 ASP CA C 53.71 0.05 1 535 124 124 ASP CB C 47.50 0.05 1 536 124 124 ASP N N 126.85 0.05 1 537 125 125 PHE H H 8.53 0.02 1 538 125 125 PHE C C 174.05 0.05 1 539 125 125 PHE CA C 55.57 0.05 1 540 125 125 PHE CB C 42.74 0.05 1 541 125 125 PHE N N 123.17 0.05 1 542 126 126 SER H H 9.15 0.02 1 543 126 126 SER CA C 57.84 0.05 1 544 126 126 SER CB C 62.00 0.05 1 545 126 126 SER N N 118.50 0.05 1 546 127 127 TYR H H 8.52 0.02 1 547 127 127 TYR C C 175.14 0.05 1 548 127 127 TYR CA C 55.10 0.05 1 549 127 127 TYR N N 118.87 0.05 1 550 129 129 GLN H H 9.18 0.02 1 551 129 129 GLN C C 173.60 0.05 1 552 129 129 GLN CA C 53.15 0.05 1 553 129 129 GLN CB C 33.54 0.05 1 554 129 129 GLN N N 128.35 0.05 1 555 130 130 SER H H 8.42 0.02 1 556 130 130 SER C C 174.00 0.05 1 557 130 130 SER CA C 56.31 0.05 1 558 130 130 SER CB C 66.35 0.05 1 559 130 130 SER N N 118.03 0.05 1 560 131 131 ARG H H 7.58 0.02 1 561 131 131 ARG C C 174.56 0.05 1 562 131 131 ARG CA C 55.16 0.05 1 563 131 131 ARG CB C 31.06 0.05 1 564 131 131 ARG N N 126.86 0.05 1 565 132 132 ILE H H 8.60 0.02 1 566 132 132 ILE C C 175.35 0.05 1 567 132 132 ILE CA C 58.81 0.05 1 568 132 132 ILE CB C 38.60 0.05 1 569 132 132 ILE N N 129.48 0.05 1 570 133 133 ARG H H 9.24 0.02 1 571 133 133 ARG C C 175.11 0.05 1 572 133 133 ARG CA C 57.98 0.05 1 573 133 133 ARG CB C 27.40 0.05 1 574 133 133 ARG N N 127.23 0.05 1 575 134 134 SER C C 173.10 0.05 1 576 134 134 SER CA C 60.55 0.05 1 577 134 134 SER CB C 62.85 0.05 1 578 135 135 VAL H H 8.11 0.02 1 579 135 135 VAL C C 174.50 0.05 1 580 135 135 VAL CA C 61.70 0.05 1 581 135 135 VAL CB C 32.17 0.05 1 582 135 135 VAL N N 124.50 0.05 1 583 136 136 ASP H H 7.85 0.02 1 584 136 136 ASP C C 174.90 0.05 1 585 136 136 ASP CA C 54.04 0.05 1 586 136 136 ASP CB C 41.80 0.05 1 587 136 136 ASP N N 127.55 0.05 1 588 137 137 VAL H H 8.55 0.02 1 589 137 137 VAL C C 174.44 0.05 1 590 137 137 VAL CA C 60.22 0.05 1 591 137 137 VAL CB C 32.82 0.05 1 592 137 137 VAL N N 124.11 0.05 1 593 138 138 GLY H H 8.12 0.02 1 594 138 138 GLY C C 172.76 0.05 1 595 138 138 GLY CA C 44.35 0.05 1 596 138 138 GLY N N 117.13 0.05 1 597 139 139 THR H H 8.57 0.02 1 598 139 139 THR C C 172.00 0.05 1 599 139 139 THR CA C 60.71 0.05 1 600 139 139 THR N N 124.72 0.05 1 601 140 140 TRP C C 175.30 0.05 1 602 140 140 TRP CA C 56.00 0.05 1 603 141 141 ILE H H 8.88 0.02 1 604 141 141 ILE C C 174.50 0.05 1 605 141 141 ILE CA C 58.30 0.05 1 606 141 141 ILE N N 124.17 0.05 1 607 142 142 ALA H H 8.23 0.02 1 608 142 142 ALA C C 175.50 0.05 1 609 142 142 ALA CA C 50.50 0.05 1 610 142 142 ALA CB C 22.46 0.05 1 611 142 142 ALA N N 127.61 0.05 1 612 143 143 GLY H H 9.39 0.02 1 613 143 143 GLY C C 171.90 0.05 1 614 143 143 GLY CA C 45.22 0.05 1 615 143 143 GLY N N 109.00 0.05 1 616 144 144 VAL H H 8.67 0.02 1 617 144 144 VAL C C 173.62 0.05 1 618 144 144 VAL CA C 58.17 0.05 1 619 144 144 VAL CB C 35.76 0.05 1 620 144 144 VAL N N 114.56 0.05 1 621 145 145 GLY H H 8.52 0.02 1 622 145 145 GLY C C 170.96 0.05 1 623 145 145 GLY CA C 46.58 0.05 1 624 145 145 GLY N N 107.77 0.05 1 625 146 146 TYR H H 8.20 0.02 1 626 146 146 TYR C C 171.10 0.05 1 627 146 146 TYR CA C 55.27 0.05 1 628 146 146 TYR CB C 41.50 0.05 1 629 146 146 TYR N N 122.00 0.05 1 630 147 147 ARG H H 7.46 0.02 1 631 147 147 ARG C C 173.50 0.05 1 632 147 147 ARG CA C 53.19 0.05 1 633 147 147 ARG CB C 32.77 0.05 1 634 147 147 ARG N N 129.97 0.05 1 635 148 148 PHE H H 8.69 0.02 1 636 148 148 PHE C C 178.16 0.05 1 637 148 148 PHE CA C 57.50 0.05 1 638 148 148 PHE CB C 40.09 0.05 1 639 148 148 PHE N N 128.11 0.05 1 stop_ save_