data_17211 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and partial sidechain assignments of a fragment comprising transmembrane helix 1 to transmembrane helix 3 of the Ste2p receptor in TFE/water ; _BMRB_accession_number 17211 _BMRB_flat_file_name bmr17211.str _Entry_type original _Submission_date 2010-09-27 _Accession_date 2010-09-27 _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 Caroccia Katrina E. . 2 Arshava Boris . . 3 Zerbe Oliver . . 4 Naider Fred . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 624 "13C chemical shifts" 542 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-26 update author 'update assignments, citation, etc.' 2012-03-13 update BMRB 'update entry citation' 2011-06-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Characterization of Triple Transmembrane Domain Containing Fragments of a Yeast G Protein-Coupled Receptor in an Organic:Aqueous Environment by Solution-State NMR Spectroscopy' _Citation_status submitted _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 Fracchiolla Katrina E. . 2 Poms Martin . . 3 Arshava Boris . . 4 Cohen Leah S. . 5 Zerbe Oliver . . 6 Becker Jeffrey M. . 7 Naider Fred . . stop_ _Journal_abbreviation Biopolymers _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword GPCR 'Membrane protein' NMR 'Peptide expression' 'Peptide fragment' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'Expression and biophysical analysis of a triple-transmembrane domain-containing fragment from a yeast G protein-coupled receptor.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21695690 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Caroccia Katrina E. . 2 Estephan Racha . . 3 Cohen Leah S. . 4 Arshava Boris . . 5 Hauser Melinda . . 6 Zerbe Oliver . . 7 Becker Jeffrey M. . 8 Naider Fred . . stop_ _Journal_abbreviation Biopolymers _Journal_name_full Biopolymers _Journal_volume 96 _Journal_issue 6 _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 757 _Page_last 771 _Year 2011 _Details . loop_ _Keyword GPCR 'Membrane protein' NMR 'Peptide expression' 'Peptide fragment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ste2p TM1-TM3 (G31-R161)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fragment of Ste2p Receptor' $Ste2p_TM1-TM3_(G31-R161) stop_ _System_molecular_weight 14421.94 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ste2p_TM1-TM3_(G31-R161) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ste2p_TM1-TM3_(G31-R161) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GNGSTITFDELQGLVNSTVT QAILFGVRSGAAALTLIVVW ITSRSRKTPIFIINQVSLFL IILHSALYFKYLLSNYSSVT YALTGFPQFISRGDVHVYGA TNIIQVLLVASIETSLVFQI KVIFTGDNFKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 31 GLY 2 32 ASN 3 33 GLY 4 34 SER 5 35 THR 6 36 ILE 7 37 THR 8 38 PHE 9 39 ASP 10 40 GLU 11 41 LEU 12 42 GLN 13 43 GLY 14 44 LEU 15 45 VAL 16 46 ASN 17 47 SER 18 48 THR 19 49 VAL 20 50 THR 21 51 GLN 22 52 ALA 23 53 ILE 24 54 LEU 25 55 PHE 26 56 GLY 27 57 VAL 28 58 ARG 29 59 SER 30 60 GLY 31 61 ALA 32 62 ALA 33 63 ALA 34 64 LEU 35 65 THR 36 66 LEU 37 67 ILE 38 68 VAL 39 69 VAL 40 70 TRP 41 71 ILE 42 72 THR 43 73 SER 44 74 ARG 45 75 SER 46 76 ARG 47 77 LYS 48 78 THR 49 79 PRO 50 80 ILE 51 81 PHE 52 82 ILE 53 83 ILE 54 84 ASN 55 85 GLN 56 86 VAL 57 87 SER 58 88 LEU 59 89 PHE 60 90 LEU 61 91 ILE 62 92 ILE 63 93 LEU 64 94 HIS 65 95 SER 66 96 ALA 67 97 LEU 68 98 TYR 69 99 PHE 70 100 LYS 71 101 TYR 72 102 LEU 73 103 LEU 74 104 SER 75 105 ASN 76 106 TYR 77 107 SER 78 108 SER 79 109 VAL 80 110 THR 81 111 TYR 82 112 ALA 83 113 LEU 84 114 THR 85 115 GLY 86 116 PHE 87 117 PRO 88 118 GLN 89 119 PHE 90 120 ILE 91 121 SER 92 122 ARG 93 123 GLY 94 124 ASP 95 125 VAL 96 126 HIS 97 127 VAL 98 128 TYR 99 129 GLY 100 130 ALA 101 131 THR 102 132 ASN 103 133 ILE 104 134 ILE 105 135 GLN 106 136 VAL 107 137 LEU 108 138 LEU 109 139 VAL 110 140 ALA 111 141 SER 112 142 ILE 113 143 GLU 114 144 THR 115 145 SER 116 146 LEU 117 147 VAL 118 148 PHE 119 149 GLN 120 150 ILE 121 151 LYS 122 152 VAL 123 153 ILE 124 154 PHE 125 155 THR 126 156 GLY 127 157 ASP 128 158 ASN 129 159 PHE 130 160 LYS 131 161 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 15995 "TM1_TM2 in LPPG micelles" 61.07 80 100.00 100.00 1.94e-46 BMRB 17593 TM1_TM2 61.07 80 100.00 100.00 1.94e-46 PDB 2K9P "Structure Of Tm1_tm2 In Lppg Micelles" 61.07 80 100.00 100.00 1.94e-46 DBJ BAA09212 "pheromone alpha factor receptor [Saccharomyces cerevisiae]" 100.00 431 96.95 99.24 1.82e-81 DBJ GAA23058 "K7_Ste2p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 431 96.95 99.24 1.86e-81 EMBL CAA26794 "alpha-factor receptor [Saccharomyces cerevisiae]" 100.00 431 96.95 99.24 1.86e-81 EMBL CAD56352 "alpha-pheromone receptor [Saccharomyces paradoxus]" 70.23 361 97.83 98.91 5.87e-54 EMBL CAD56353 "alpha-pheromone receptor [Saccharomyces paradoxus]" 70.23 361 97.83 98.91 5.87e-54 EMBL CAD56354 "alpha-pheromone receptor, partial [Saccharomyces paradoxus]" 70.23 361 97.83 98.91 5.87e-54 EMBL CAD56355 "alpha-pheromone receptor [Saccharomyces paradoxus]" 70.23 361 97.83 98.91 5.87e-54 GB AAA35112 "alpha-factor receptor [Saccharomyces cerevisiae]" 100.00 431 96.95 99.24 1.86e-81 GB AAT93153 "YFL026W [Saccharomyces cerevisiae]" 100.00 431 96.95 99.24 1.86e-81 GB AJU36009 "Ste2p [Saccharomyces cerevisiae YJM320]" 100.00 431 96.95 99.24 1.86e-81 GB AJU36114 "Ste2p [Saccharomyces cerevisiae YJM326]" 100.00 431 96.95 99.24 1.86e-81 GB AJU36830 "Ste2p [Saccharomyces cerevisiae YJM541]" 100.00 431 96.95 99.24 1.86e-81 PRF 1112154A "alpha factor receptor" 100.00 431 96.95 99.24 1.86e-81 REF NP_116627 "alpha-factor pheromone receptor STE2 [Saccharomyces cerevisiae S288c]" 100.00 431 96.95 99.24 1.86e-81 SP D6VTK4 "RecName: Full=Pheromone alpha factor receptor" 100.00 431 96.95 99.24 1.86e-81 SP P0CI39 "RecName: Full=Pheromone alpha factor receptor" 100.00 431 96.95 99.24 1.86e-81 TPG DAA12414 "TPA: alpha-factor pheromone receptor STE2 [Saccharomyces cerevisiae S288c]" 100.00 431 96.95 99.24 1.86e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ste2p_TM1-TM3_(G31-R161) yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Ste2p_TM1-TM3_(G31-R161) 'recombinant technology' . Escherichia coli . pKC01 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 $Ste2p_TM1-TM3_(G31-R161) 0.2 mM '[U-95% 15N]' trifluoroethanol 50 % 'natural abundance' H2O 50 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ste2p_TM1-TM3_(G31-R161) 0.29 mM '[U-95% 13C; U-95% 15N; U-60% 2H]' trifluoroethanol 50 % 'natural abundance' H2O 50 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ste2p_TM1-TM3_(G31-R161) 0.42 mM 'natural abundance' trifluoroethanol 50 % 'natural abundance' H2O 50 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Direct Drive NMR System' _Field_strength 600 _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_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 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 TFE-d2 C 13 'methylene protons' ppm 3.88 internal indirect . . . 0.10132905 TFE-d2 H 1 'methylene protons' ppm 3.88 internal direct . . . 1.0 TFE-d2 N 15 'methylene protons' ppm 3.88 internal indirect . . . 0.2514002 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' '2D 1H-1H TOCSY' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Fragment of Ste2p Receptor' _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 31 1 GLY HA2 H 3.865 0.020 2 2 31 1 GLY HA3 H 3.865 0.020 2 3 31 1 GLY C C 179.380 0.300 1 4 31 1 GLY CA C 46.475 0.300 1 5 32 2 ASN H H 8.564 0.020 1 6 32 2 ASN HA H 4.810 0.020 1 7 32 2 ASN HB2 H 2.860 0.020 2 8 32 2 ASN HB3 H 2.860 0.020 2 9 32 2 ASN C C 175.129 0.300 1 10 32 2 ASN CA C 52.742 0.300 1 11 32 2 ASN CB C 38.271 0.300 1 12 32 2 ASN N N 118.980 0.300 1 13 33 3 GLY H H 8.435 0.020 1 14 33 3 GLY HA2 H 3.977 0.020 2 15 33 3 GLY HA3 H 3.977 0.020 2 16 33 3 GLY C C 174.061 0.300 1 17 33 3 GLY CA C 45.152 0.300 1 18 33 3 GLY N N 109.485 0.300 1 19 34 4 SER H H 8.062 0.020 1 20 34 4 SER HA H 4.486 0.020 1 21 34 4 SER HB2 H 3.929 0.020 2 22 34 4 SER HB3 H 3.929 0.020 2 23 34 4 SER C C 174.643 0.300 1 24 34 4 SER CA C 58.461 0.300 1 25 34 4 SER CB C 63.221 0.300 1 26 34 4 SER N N 115.841 0.300 1 27 35 5 THR H H 7.958 0.020 1 28 35 5 THR HA H 4.283 0.020 1 29 35 5 THR HB H 4.283 0.020 1 30 35 5 THR HG2 H 1.219 0.020 1 31 35 5 THR C C 174.637 0.300 1 32 35 5 THR CA C 62.718 0.300 1 33 35 5 THR CB C 68.998 0.300 1 34 35 5 THR CG2 C 20.740 0.300 1 35 35 5 THR N N 116.292 0.300 1 36 36 6 ILE H H 7.773 0.020 1 37 36 6 ILE HA H 4.148 0.020 1 38 36 6 ILE HB H 1.883 0.020 1 39 36 6 ILE HG12 H 1.561 0.020 2 40 36 6 ILE HG13 H 1.233 0.020 2 41 36 6 ILE HG2 H 0.868 0.020 1 42 36 6 ILE HD1 H 0.862 0.020 1 43 36 6 ILE C C 176.313 0.300 1 44 36 6 ILE CA C 62.341 0.300 1 45 36 6 ILE CB C 37.839 0.300 1 46 36 6 ILE CG1 C 27.458 0.300 1 47 36 6 ILE CG2 C 16.188 0.300 1 48 36 6 ILE CD1 C 11.635 0.300 1 49 36 6 ILE N N 122.167 0.300 1 50 37 7 THR H H 7.617 0.020 1 51 37 7 THR HA H 4.075 0.020 1 52 37 7 THR HB H 4.229 0.020 1 53 37 7 THR HG2 H 1.200 0.020 1 54 37 7 THR C C 175.251 0.300 1 55 37 7 THR CA C 63.895 0.300 1 56 37 7 THR CB C 69.037 0.300 1 57 37 7 THR CG2 C 20.391 0.300 1 58 37 7 THR N N 115.994 0.300 1 59 38 8 PHE H H 8.096 0.020 1 60 38 8 PHE HA H 4.304 0.020 1 61 38 8 PHE HB2 H 3.163 0.020 2 62 38 8 PHE HB3 H 3.163 0.020 2 63 38 8 PHE C C 176.779 0.300 1 64 38 8 PHE CA C 60.514 0.300 1 65 38 8 PHE CB C 38.226 0.300 1 66 38 8 PHE N N 121.426 0.300 1 67 39 9 ASP H H 8.275 0.020 1 68 39 9 ASP HA H 4.401 0.020 1 69 39 9 ASP HB2 H 3.018 0.020 2 70 39 9 ASP HB3 H 2.862 0.020 2 71 39 9 ASP C C 177.426 0.300 1 72 39 9 ASP CA C 55.282 0.300 1 73 39 9 ASP CB C 36.556 0.300 1 74 39 9 ASP N N 117.796 0.300 1 75 40 10 GLU H H 8.069 0.020 1 76 40 10 GLU HA H 4.090 0.020 1 77 40 10 GLU HB2 H 2.085 0.020 2 78 40 10 GLU HB3 H 2.085 0.020 2 79 40 10 GLU HG2 H 2.420 0.020 2 80 40 10 GLU HG3 H 2.581 0.020 2 81 40 10 GLU C C 177.757 0.300 1 82 40 10 GLU CA C 57.251 0.300 1 83 40 10 GLU CB C 27.456 0.300 1 84 40 10 GLU CG C 32.377 0.300 1 85 40 10 GLU N N 120.583 0.300 1 86 41 11 LEU H H 8.107 0.020 1 87 41 11 LEU HA H 4.083 0.020 1 88 41 11 LEU HB2 H 1.698 0.020 2 89 41 11 LEU HB3 H 1.698 0.020 2 90 41 11 LEU HG H 1.680 0.020 1 91 41 11 LEU HD1 H 0.867 0.020 2 92 41 11 LEU C C 178.093 0.300 1 93 41 11 LEU CA C 57.403 0.300 1 94 41 11 LEU CB C 41.234 0.300 1 95 41 11 LEU CG C 26.194 0.300 1 96 41 11 LEU CD1 C 22.614 0.300 1 97 41 11 LEU N N 121.500 0.300 1 98 42 12 GLN H H 8.150 0.020 1 99 42 12 GLN HA H 3.831 0.020 1 100 42 12 GLN HB2 H 1.970 0.020 2 101 42 12 GLN HB3 H 1.970 0.020 2 102 42 12 GLN HG2 H 2.132 0.020 2 103 42 12 GLN HG3 H 2.214 0.020 2 104 42 12 GLN C C 178.291 0.300 1 105 42 12 GLN CA C 58.485 0.300 1 106 42 12 GLN CB C 27.780 0.300 1 107 42 12 GLN CG C 33.353 0.300 1 108 42 12 GLN N N 117.312 0.300 1 109 43 13 GLY H H 7.888 0.020 1 110 43 13 GLY HA2 H 3.876 0.020 2 111 43 13 GLY HA3 H 3.876 0.020 2 112 43 13 GLY C C 175.977 0.300 1 113 43 13 GLY CA C 46.364 0.300 1 114 43 13 GLY N N 106.763 0.300 1 115 44 14 LEU H H 8.066 0.020 1 116 44 14 LEU HA H 4.170 0.020 1 117 44 14 LEU HB2 H 1.860 0.020 2 118 44 14 LEU HB3 H 1.368 0.020 2 119 44 14 LEU HG H 1.425 0.020 1 120 44 14 LEU HD1 H 0.847 0.020 2 121 44 14 LEU HD2 H 0.874 0.020 2 122 44 14 LEU C C 179.880 0.300 1 123 44 14 LEU CA C 57.662 0.300 1 124 44 14 LEU CB C 41.285 0.300 1 125 44 14 LEU CG C 26.052 0.300 1 126 44 14 LEU CD1 C 22.479 0.300 1 127 44 14 LEU CD2 C 22.895 0.300 1 128 44 14 LEU N N 125.552 0.300 1 129 45 15 VAL H H 8.535 0.020 1 130 45 15 VAL HA H 3.586 0.020 1 131 45 15 VAL HB H 2.124 0.020 1 132 45 15 VAL HG1 H 0.917 0.020 2 133 45 15 VAL HG2 H 0.998 0.020 2 134 45 15 VAL C C 177.563 0.300 1 135 45 15 VAL CA C 66.545 0.300 1 136 45 15 VAL CB C 30.860 0.300 1 137 45 15 VAL CG1 C 19.792 0.300 1 138 45 15 VAL CG2 C 21.141 0.300 1 139 45 15 VAL N N 122.799 0.300 1 140 46 16 ASN H H 8.447 0.020 1 141 46 16 ASN HA H 4.436 0.020 1 142 46 16 ASN HB2 H 2.929 0.020 2 143 46 16 ASN HB3 H 2.784 0.020 2 144 46 16 ASN C C 178.294 0.300 1 145 46 16 ASN CA C 56.121 0.300 1 146 46 16 ASN CB C 38.048 0.300 1 147 46 16 ASN N N 117.898 0.300 1 148 47 17 SER H H 8.361 0.020 1 149 47 17 SER HA H 4.034 0.020 1 150 47 17 SER HB2 H 3.591 0.020 2 151 47 17 SER HB3 H 3.591 0.020 2 152 47 17 SER C C 175.407 0.300 1 153 47 17 SER CA C 61.517 0.300 1 154 47 17 SER CB C 62.452 0.300 1 155 47 17 SER N N 116.733 0.300 1 156 48 18 THR H H 8.004 0.020 1 157 48 18 THR HA H 3.981 0.020 1 158 48 18 THR HB H 4.367 0.020 1 159 48 18 THR HG2 H 1.245 0.020 1 160 48 18 THR C C 175.893 0.300 1 161 48 18 THR CA C 66.374 0.300 1 162 48 18 THR CB C 68.442 0.300 1 163 48 18 THR CG2 C 19.812 0.300 1 164 48 18 THR N N 119.620 0.300 1 165 49 19 VAL H H 8.394 0.020 1 166 49 19 VAL HA H 3.687 0.020 1 167 49 19 VAL HB H 2.121 0.020 1 168 49 19 VAL HG1 H 0.956 0.020 2 169 49 19 VAL HG2 H 1.034 0.020 2 170 49 19 VAL C C 177.232 0.300 1 171 49 19 VAL CA C 66.254 0.300 1 172 49 19 VAL CB C 31.167 0.300 1 173 49 19 VAL CG1 C 19.895 0.300 1 174 49 19 VAL CG2 C 21.464 0.300 1 175 49 19 VAL N N 122.509 0.300 1 176 50 20 THR H H 7.910 0.020 1 177 50 20 THR HA H 3.838 0.020 1 178 50 20 THR HB H 4.277 0.020 1 179 50 20 THR HG2 H 1.207 0.020 1 180 50 20 THR C C 175.685 0.300 1 181 50 20 THR CA C 66.931 0.300 1 182 50 20 THR CB C 68.242 0.300 1 183 50 20 THR CG2 C 20.102 0.300 1 184 50 20 THR N N 114.438 0.300 1 185 51 21 GLN H H 7.812 0.020 1 186 51 21 GLN HA H 3.958 0.020 1 187 51 21 GLN HB2 H 2.191 0.020 2 188 51 21 GLN HB3 H 2.191 0.020 2 189 51 21 GLN HG2 H 2.444 0.020 2 190 51 21 GLN C C 177.369 0.300 1 191 51 21 GLN CA C 59.030 0.300 1 192 51 21 GLN CB C 28.013 0.300 1 193 51 21 GLN CG C 33.772 0.300 1 194 51 21 GLN N N 118.998 0.300 1 195 52 22 ALA H H 7.956 0.020 1 196 52 22 ALA HA H 4.159 0.020 1 197 52 22 ALA HB H 1.567 0.020 1 198 52 22 ALA C C 180.437 0.300 1 199 52 22 ALA CA C 54.900 0.300 1 200 52 22 ALA CB C 16.904 0.300 1 201 52 22 ALA N N 122.848 0.300 1 202 53 23 ILE H H 8.323 0.020 1 203 53 23 ILE HA H 3.777 0.020 1 204 53 23 ILE HB H 2.028 0.020 1 205 53 23 ILE HG12 H 1.760 0.020 2 206 53 23 ILE HG13 H 1.163 0.020 2 207 53 23 ILE HG2 H 0.908 0.020 1 208 53 23 ILE HD1 H 0.810 0.020 1 209 53 23 ILE C C 178.158 0.300 1 210 53 23 ILE CA C 64.517 0.300 1 211 53 23 ILE CB C 37.324 0.300 1 212 53 23 ILE CG1 C 28.283 0.300 1 213 53 23 ILE CG2 C 15.694 0.300 1 214 53 23 ILE CD1 C 11.659 0.300 1 215 53 23 ILE N N 120.696 0.300 1 216 54 24 LEU H H 8.288 0.020 1 217 54 24 LEU HA H 4.079 0.020 1 218 54 24 LEU HB2 H 1.848 0.020 2 219 54 24 LEU HB3 H 1.848 0.020 2 220 54 24 LEU HG H 1.442 0.020 1 221 54 24 LEU HD1 H 0.831 0.020 2 222 54 24 LEU HD2 H 0.833 0.020 2 223 54 24 LEU C C 179.130 0.300 1 224 54 24 LEU CA C 57.495 0.300 1 225 54 24 LEU CB C 40.933 0.300 1 226 54 24 LEU CG C 26.154 0.300 1 227 54 24 LEU CD1 C 21.559 0.300 1 228 54 24 LEU CD2 C 23.888 0.300 1 229 54 24 LEU N N 120.070 0.300 1 230 55 25 PHE H H 8.472 0.020 1 231 55 25 PHE HA H 4.306 0.020 1 232 55 25 PHE HB2 H 3.244 0.020 2 233 55 25 PHE HB3 H 3.244 0.020 2 234 55 25 PHE C C 178.599 0.300 1 235 55 25 PHE CA C 60.255 0.300 1 236 55 25 PHE CB C 38.219 0.300 1 237 55 25 PHE N N 119.213 0.300 1 238 56 26 GLY H H 8.347 0.020 1 239 56 26 GLY HA2 H 3.739 0.020 2 240 56 26 GLY HA3 H 3.981 0.020 2 241 56 26 GLY C C 175.742 0.300 1 242 56 26 GLY CA C 46.577 0.300 1 243 56 26 GLY N N 110.241 0.300 1 244 57 27 VAL H H 8.427 0.020 1 245 57 27 VAL HA H 3.804 0.020 1 246 57 27 VAL HB H 2.211 0.020 1 247 57 27 VAL HG1 H 0.941 0.020 2 248 57 27 VAL HG2 H 1.060 0.020 2 249 57 27 VAL C C 178.095 0.300 1 250 57 27 VAL CA C 65.446 0.300 1 251 57 27 VAL CB C 31.318 0.300 1 252 57 27 VAL CG1 C 19.938 0.300 1 253 57 27 VAL CG2 C 20.735 0.300 1 254 57 27 VAL N N 122.707 0.300 1 255 58 28 ARG H H 8.301 0.020 1 256 58 28 ARG HA H 4.067 0.020 1 257 58 28 ARG HB2 H 1.891 0.020 2 258 58 28 ARG HG2 H 1.703 0.020 2 259 58 28 ARG HG3 H 1.703 0.020 2 260 58 28 ARG HD2 H 3.127 0.020 2 261 58 28 ARG C C 177.783 0.300 1 262 58 28 ARG CA C 58.169 0.300 1 263 58 28 ARG CB C 29.513 0.300 1 264 58 28 ARG CG C 26.474 0.300 1 265 58 28 ARG CD C 42.588 0.300 1 266 58 28 ARG N N 119.752 0.300 1 267 59 29 SER H H 8.074 0.020 1 268 59 29 SER HA H 4.176 0.020 1 269 59 29 SER HB2 H 3.609 0.020 2 270 59 29 SER HB3 H 3.822 0.020 2 271 59 29 SER C C 175.466 0.300 1 272 59 29 SER CA C 59.965 0.300 1 273 59 29 SER CB C 62.896 0.300 1 274 59 29 SER N N 113.768 0.300 1 275 60 30 GLY H H 7.810 0.020 1 276 60 30 GLY HA2 H 4.023 0.020 2 277 60 30 GLY HA3 H 3.853 0.020 2 278 60 30 GLY C C 174.447 0.300 1 279 60 30 GLY CA C 45.621 0.300 1 280 60 30 GLY N N 110.474 0.300 1 281 61 31 ALA H H 8.075 0.020 1 282 61 31 ALA HA H 4.140 0.020 1 283 61 31 ALA HB H 1.434 0.020 1 284 61 31 ALA C C 179.426 0.300 1 285 61 31 ALA CA C 54.057 0.300 1 286 61 31 ALA CB C 17.128 0.300 1 287 61 31 ALA N N 123.769 0.300 1 288 62 32 ALA H H 7.983 0.020 1 289 62 32 ALA HA H 4.075 0.020 1 290 62 32 ALA HB H 1.438 0.020 1 291 62 32 ALA C C 178.482 0.300 1 292 62 32 ALA CA C 54.372 0.300 1 293 62 32 ALA CB C 16.987 0.300 1 294 62 32 ALA N N 121.823 0.300 1 295 63 33 ALA H H 7.689 0.020 1 296 63 33 ALA HA H 4.064 0.020 1 297 63 33 ALA HB H 1.457 0.020 1 298 63 33 ALA C C 178.589 0.300 1 299 63 33 ALA CA C 54.363 0.300 1 300 63 33 ALA CB C 17.134 0.300 1 301 63 33 ALA N N 120.305 0.300 1 302 64 34 LEU H H 7.797 0.020 1 303 64 34 LEU HA H 4.104 0.020 1 304 64 34 LEU HB2 H 1.790 0.020 2 305 64 34 LEU HB3 H 1.790 0.020 2 306 64 34 LEU HG H 1.705 0.020 1 307 64 34 LEU HD1 H 0.883 0.020 2 308 64 34 LEU HD2 H 0.921 0.020 2 309 64 34 LEU C C 178.005 0.300 1 310 64 34 LEU CA C 57.104 0.300 1 311 64 34 LEU CB C 41.284 0.300 1 312 64 34 LEU CG C 26.117 0.300 1 313 64 34 LEU CD1 C 22.568 0.300 1 314 64 34 LEU CD2 C 24.321 0.300 1 315 64 34 LEU N N 117.062 0.300 1 316 65 35 THR H H 7.734 0.020 1 317 65 35 THR HA H 3.801 0.020 1 318 65 35 THR HB H 4.287 0.020 1 319 65 35 THR HG2 H 1.245 0.020 1 320 65 35 THR C C 174.993 0.300 1 321 65 35 THR CA C 66.426 0.300 1 322 65 35 THR CB C 68.140 0.300 1 323 65 35 THR CG2 C 19.957 0.300 1 324 65 35 THR N N 113.304 0.300 1 325 66 36 LEU H H 7.600 0.020 1 326 66 36 LEU HA H 3.983 0.020 1 327 66 36 LEU HB2 H 1.799 0.020 2 328 66 36 LEU HB3 H 1.799 0.020 2 329 66 36 LEU HG H 1.548 0.020 1 330 66 36 LEU HD1 H 0.795 0.020 2 331 66 36 LEU HD2 H 0.853 0.020 2 332 66 36 LEU C C 178.453 0.300 1 333 66 36 LEU CA C 57.778 0.300 1 334 66 36 LEU CB C 40.919 0.300 1 335 66 36 LEU CG C 26.094 0.300 1 336 66 36 LEU CD1 C 21.982 0.300 1 337 66 36 LEU CD2 C 23.027 0.300 1 338 66 36 LEU N N 120.886 0.300 1 339 67 37 ILE H H 7.822 0.020 1 340 67 37 ILE HA H 3.837 0.020 1 341 67 37 ILE HB H 2.096 0.020 1 342 67 37 ILE HG12 H 1.075 0.020 2 343 67 37 ILE HG2 H 1.003 0.020 1 344 67 37 ILE HD1 H 0.822 0.020 1 345 67 37 ILE C C 177.524 0.300 1 346 67 37 ILE CA C 64.904 0.300 1 347 67 37 ILE CB C 37.341 0.300 1 348 67 37 ILE CG1 C 28.317 0.300 1 349 67 37 ILE CG2 C 16.260 0.300 1 350 67 37 ILE CD1 C 11.339 0.300 1 351 67 37 ILE N N 119.703 0.300 1 352 68 38 VAL H H 8.193 0.020 1 353 68 38 VAL HA H 3.686 0.020 1 354 68 38 VAL HB H 2.277 0.020 1 355 68 38 VAL HG1 H 0.937 0.020 2 356 68 38 VAL HG2 H 1.068 0.020 2 357 68 38 VAL C C 179.999 0.300 1 358 68 38 VAL CA C 66.800 0.300 1 359 68 38 VAL CB C 30.909 0.300 1 360 68 38 VAL CG1 C 20.021 0.300 1 361 68 38 VAL CG2 C 21.574 0.300 1 362 68 38 VAL N N 120.370 0.300 1 363 69 39 VAL H H 8.578 0.020 1 364 69 39 VAL HA H 3.552 0.020 1 365 69 39 VAL HB H 2.299 0.020 1 366 69 39 VAL HG1 H 0.983 0.020 2 367 69 39 VAL HG2 H 1.069 0.020 2 368 69 39 VAL C C 178.255 0.300 1 369 69 39 VAL CA C 66.837 0.300 1 370 69 39 VAL CB C 30.797 0.300 1 371 69 39 VAL CG1 C 19.812 0.300 1 372 69 39 VAL CG2 C 21.671 0.300 1 373 69 39 VAL N N 124.209 0.300 1 374 70 40 TRP H H 8.744 0.020 1 375 70 40 TRP HA H 4.269 0.020 1 376 70 40 TRP HB2 H 3.594 0.020 2 377 70 40 TRP HB3 H 3.443 0.020 2 378 70 40 TRP C C 178.648 0.300 1 379 70 40 TRP CA C 60.992 0.300 1 380 70 40 TRP CB C 28.264 0.300 1 381 70 40 TRP N N 124.548 0.300 1 382 71 41 ILE H H 9.125 0.020 1 383 71 41 ILE HA H 3.570 0.020 1 384 71 41 ILE HB H 1.877 0.020 1 385 71 41 ILE HG12 H 1.075 0.020 2 386 71 41 ILE HG2 H 0.936 0.020 1 387 71 41 ILE HD1 H 0.888 0.020 1 388 71 41 ILE C C 179.259 0.300 1 389 71 41 ILE CA C 64.950 0.300 1 390 71 41 ILE CB C 37.567 0.300 1 391 71 41 ILE CG1 C 28.143 0.300 1 392 71 41 ILE CG2 C 16.010 0.300 1 393 71 41 ILE CD1 C 12.068 0.300 1 394 71 41 ILE N N 119.256 0.300 1 395 72 42 THR H H 8.478 0.020 1 396 72 42 THR HA H 3.943 0.020 1 397 72 42 THR HB H 4.280 0.020 1 398 72 42 THR HG2 H 1.245 0.020 1 399 72 42 THR C C 176.710 0.300 1 400 72 42 THR CA C 65.655 0.300 1 401 72 42 THR CB C 68.529 0.300 1 402 72 42 THR CG2 C 20.246 0.300 1 403 72 42 THR N N 114.651 0.300 1 404 73 43 SER H H 8.276 0.020 1 405 73 43 SER HA H 4.556 0.020 1 406 73 43 SER HB2 H 3.933 0.020 2 407 73 43 SER HB3 H 3.933 0.020 2 408 73 43 SER C C 175.577 0.300 1 409 73 43 SER CA C 60.872 0.300 1 410 73 43 SER CB C 62.675 0.300 1 411 73 43 SER N N 117.757 0.300 1 412 74 44 ARG H H 7.688 0.020 1 413 74 44 ARG HA H 4.064 0.020 1 414 74 44 ARG HB2 H 1.731 0.020 2 415 74 44 ARG HG2 H 1.363 0.020 2 416 74 44 ARG HD2 H 2.643 0.020 2 417 74 44 ARG C C 177.227 0.300 1 418 74 44 ARG CA C 56.635 0.300 1 419 74 44 ARG CB C 29.303 0.300 1 420 74 44 ARG CG C 26.072 0.300 1 421 74 44 ARG CD C 42.150 0.300 1 422 74 44 ARG N N 121.101 0.300 1 423 75 45 SER H H 7.816 0.020 1 424 75 45 SER HA H 4.297 0.020 1 425 75 45 SER HB2 H 3.889 0.020 2 426 75 45 SER HB3 H 3.889 0.020 2 427 75 45 SER C C 174.442 0.300 1 428 75 45 SER CA C 59.277 0.300 1 429 75 45 SER CB C 63.079 0.300 1 430 75 45 SER N N 114.566 0.300 1 431 76 46 ARG H H 7.675 0.020 1 432 76 46 ARG HA H 4.223 0.020 1 433 76 46 ARG HB2 H 1.803 0.020 2 434 76 46 ARG HG2 H 1.593 0.020 2 435 76 46 ARG HG3 H 1.593 0.020 2 436 76 46 ARG HD2 H 3.127 0.020 2 437 76 46 ARG C C 175.645 0.300 1 438 76 46 ARG CA C 56.161 0.300 1 439 76 46 ARG CB C 29.043 0.300 1 440 76 46 ARG CG C 26.525 0.300 1 441 76 46 ARG CD C 42.685 0.300 1 442 76 46 ARG N N 120.809 0.300 1 443 77 47 LYS H H 7.816 0.020 1 444 77 47 LYS HA H 4.361 0.020 1 445 77 47 LYS HB2 H 1.730 0.020 2 446 77 47 LYS HG2 H 1.390 0.020 2 447 77 47 LYS HE2 H 2.940 0.020 2 448 77 47 LYS C C 175.490 0.300 1 449 77 47 LYS CA C 55.404 0.300 1 450 77 47 LYS CB C 32.219 0.300 1 451 77 47 LYS CG C 24.088 0.300 1 452 77 47 LYS CD C 28.219 0.300 1 453 77 47 LYS CE C 41.653 0.300 1 454 77 47 LYS N N 119.658 0.300 1 455 78 48 THR H H 7.622 0.020 1 456 78 48 THR HA H 4.567 0.020 1 457 78 48 THR HB H 4.207 0.020 1 458 78 48 THR HG2 H 1.259 0.020 1 459 78 48 THR C C 172.877 0.300 1 460 78 48 THR CA C 60.570 0.300 1 461 78 48 THR CB C 68.898 0.300 1 462 78 48 THR N N 114.878 0.300 1 463 79 49 PRO HA H 4.394 0.020 1 464 79 49 PRO HB2 H 1.814 0.020 2 465 79 49 PRO HB3 H 1.814 0.020 2 466 79 49 PRO HG2 H 2.004 0.020 2 467 79 49 PRO HD2 H 3.816 0.020 2 468 79 49 PRO HD3 H 3.670 0.020 2 469 79 49 PRO C C 176.798 0.300 1 470 79 49 PRO CA C 63.749 0.300 1 471 79 49 PRO CB C 30.678 0.300 1 472 79 49 PRO CG C 26.735 0.300 1 473 79 49 PRO CD C 50.023 0.300 1 474 80 50 ILE H H 7.430 0.020 1 475 80 50 ILE HA H 3.859 0.020 1 476 80 50 ILE HB H 1.805 0.020 1 477 80 50 ILE HG12 H 1.216 0.020 2 478 80 50 ILE HG2 H 0.846 0.020 1 479 80 50 ILE HD1 H 0.865 0.020 1 480 80 50 ILE C C 176.221 0.300 1 481 80 50 ILE CA C 62.520 0.300 1 482 80 50 ILE CB C 37.201 0.300 1 483 80 50 ILE CG1 C 27.494 0.300 1 484 80 50 ILE CG2 C 16.188 0.300 1 485 80 50 ILE CD1 C 11.437 0.300 1 486 80 50 ILE N N 117.789 0.300 1 487 81 51 PHE H H 7.498 0.020 1 488 81 51 PHE HA H 4.375 0.020 1 489 81 51 PHE HB2 H 3.192 0.020 2 490 81 51 PHE HB3 H 3.192 0.020 2 491 81 51 PHE C C 176.865 0.300 1 492 81 51 PHE CA C 59.576 0.300 1 493 81 51 PHE CB C 38.351 0.300 1 494 81 51 PHE N N 120.003 0.300 1 495 82 52 ILE H H 7.441 0.020 1 496 82 52 ILE HA H 3.826 0.020 1 497 82 52 ILE HB H 1.900 0.020 1 498 82 52 ILE HG12 H 1.261 0.020 2 499 82 52 ILE HG2 H 0.855 0.020 1 500 82 52 ILE HD1 H 0.858 0.020 1 501 82 52 ILE C C 176.820 0.300 1 502 82 52 ILE CA C 63.175 0.300 1 503 82 52 ILE CB C 37.247 0.300 1 504 82 52 ILE CG1 C 27.863 0.300 1 505 82 52 ILE CG2 C 16.346 0.300 1 506 82 52 ILE CD1 C 11.244 0.300 1 507 82 52 ILE N N 119.793 0.300 1 508 83 53 ILE H H 7.825 0.020 1 509 83 53 ILE HA H 3.745 0.020 1 510 83 53 ILE HB H 1.911 0.020 1 511 83 53 ILE HG12 H 1.636 0.020 2 512 83 53 ILE HD1 H 0.813 0.020 1 513 83 53 ILE C C 178.181 0.300 1 514 83 53 ILE CA C 63.676 0.300 1 515 83 53 ILE CB C 37.153 0.300 1 516 83 53 ILE CG1 C 27.856 0.300 1 517 83 53 ILE CD1 C 11.561 0.300 1 518 83 53 ILE N N 120.146 0.300 1 519 84 54 ASN H H 8.145 0.020 1 520 84 54 ASN HA H 4.431 0.020 1 521 84 54 ASN HB2 H 2.781 0.020 2 522 84 54 ASN HB3 H 2.781 0.020 2 523 84 54 ASN C C 176.093 0.300 1 524 84 54 ASN CA C 55.606 0.300 1 525 84 54 ASN CB C 37.979 0.300 1 526 84 54 ASN N N 120.001 0.300 1 527 85 55 GLN H H 7.896 0.020 1 528 85 55 GLN HA H 4.021 0.020 1 529 85 55 GLN HB2 H 2.122 0.020 2 530 85 55 GLN HB3 H 2.122 0.020 2 531 85 55 GLN HG2 H 2.529 0.020 2 532 85 55 GLN C C 177.596 0.300 1 533 85 55 GLN CA C 58.565 0.300 1 534 85 55 GLN CB C 27.951 0.300 1 535 85 55 GLN CG C 33.891 0.300 1 536 85 55 GLN N N 119.361 0.300 1 537 86 56 VAL H H 8.371 0.020 1 538 86 56 VAL HA H 3.751 0.020 1 539 86 56 VAL HB H 2.146 0.020 1 540 86 56 VAL HG1 H 0.908 0.020 2 541 86 56 VAL HG2 H 1.019 0.020 2 542 86 56 VAL C C 177.254 0.300 1 543 86 56 VAL CA C 65.941 0.300 1 544 86 56 VAL CB C 30.962 0.300 1 545 86 56 VAL CG1 C 19.857 0.300 1 546 86 56 VAL CG2 C 21.257 0.300 1 547 86 56 VAL N N 120.054 0.300 1 548 87 57 SER H H 8.063 0.020 1 549 87 57 SER HA H 4.183 0.020 1 550 87 57 SER C C 175.190 0.300 1 551 87 57 SER CA C 61.985 0.300 1 552 87 57 SER CB C 62.577 0.300 1 553 87 57 SER N N 114.806 0.300 1 554 88 58 LEU H H 7.682 0.020 1 555 88 58 LEU HA H 4.071 0.020 1 556 88 58 LEU HB2 H 1.738 0.020 2 557 88 58 LEU HB3 H 1.738 0.020 2 558 88 58 LEU HG H 1.425 0.020 1 559 88 58 LEU HD1 H 0.744 0.020 2 560 88 58 LEU HD2 H 0.853 0.020 2 561 88 58 LEU C C 177.898 0.300 1 562 88 58 LEU CA C 57.352 0.300 1 563 88 58 LEU CB C 40.870 0.300 1 564 88 58 LEU CG C 26.111 0.300 1 565 88 58 LEU CD1 C 22.463 0.300 1 566 88 58 LEU CD2 C 23.009 0.300 1 567 88 58 LEU N N 121.801 0.300 1 568 89 59 PHE H H 7.998 0.020 1 569 89 59 PHE HA H 4.249 0.020 1 570 89 59 PHE HB2 H 3.301 0.020 2 571 89 59 PHE HB3 H 3.301 0.020 2 572 89 59 PHE C C 176.802 0.300 1 573 89 59 PHE CA C 60.472 0.300 1 574 89 59 PHE CB C 38.042 0.300 1 575 89 59 PHE N N 119.334 0.300 1 576 90 60 LEU H H 8.337 0.020 1 577 90 60 LEU HA H 3.979 0.020 1 578 90 60 LEU HB2 H 1.382 0.020 2 579 90 60 LEU HB3 H 1.382 0.020 2 580 90 60 LEU HG H 2.058 0.020 1 581 90 60 LEU HD1 H 0.908 0.020 2 582 90 60 LEU C C 180.188 0.300 1 583 90 60 LEU CA C 57.713 0.300 1 584 90 60 LEU CB C 40.905 0.300 1 585 90 60 LEU CG C 26.224 0.300 1 586 90 60 LEU CD1 C 21.439 0.300 1 587 90 60 LEU CD2 C 24.013 0.300 1 588 90 60 LEU N N 117.921 0.300 1 589 91 61 ILE H H 8.178 0.020 1 590 91 61 ILE HA H 3.750 0.020 1 591 91 61 ILE HB H 2.150 0.020 1 592 91 61 ILE HG12 H 1.146 0.020 2 593 91 61 ILE HG2 H 0.895 0.020 1 594 91 61 ILE HD1 H 0.830 0.020 1 595 91 61 ILE C C 179.123 0.300 1 596 91 61 ILE CA C 64.944 0.300 1 597 91 61 ILE CB C 37.380 0.300 1 598 91 61 ILE CG1 C 28.045 0.300 1 599 91 61 ILE CG2 C 15.767 0.300 1 600 91 61 ILE CD1 C 11.577 0.300 1 601 91 61 ILE N N 123.141 0.300 1 602 92 62 ILE H H 8.477 0.020 1 603 92 62 ILE HA H 3.634 0.020 1 604 92 62 ILE HB H 1.998 0.020 1 605 92 62 ILE HG12 H 1.078 0.020 2 606 92 62 ILE HG2 H 0.874 0.020 1 607 92 62 ILE HD1 H 0.836 0.020 1 608 92 62 ILE C C 178.224 0.300 1 609 92 62 ILE CA C 65.183 0.300 1 610 92 62 ILE CB C 36.903 0.300 1 611 92 62 ILE CG1 C 27.911 0.300 1 612 92 62 ILE CG2 C 15.204 0.300 1 613 92 62 ILE CD1 C 11.478 0.300 1 614 92 62 ILE N N 125.110 0.300 1 615 93 63 LEU H H 8.661 0.020 1 616 93 63 LEU HA H 3.963 0.020 1 617 93 63 LEU HB2 H 1.369 0.020 2 618 93 63 LEU HB3 H 1.369 0.020 2 619 93 63 LEU HG H 1.464 0.020 1 620 93 63 LEU HD1 H 0.761 0.020 2 621 93 63 LEU HD2 H 0.689 0.020 2 622 93 63 LEU C C 178.614 0.300 1 623 93 63 LEU CA C 57.624 0.300 1 624 93 63 LEU CB C 40.973 0.300 1 625 93 63 LEU CG C 25.969 0.300 1 626 93 63 LEU CD1 C 22.312 0.300 1 627 93 63 LEU CD2 C 22.920 0.300 1 628 93 63 LEU N N 121.365 0.300 1 629 94 64 HIS H H 8.247 0.020 1 630 94 64 HIS HA H 4.163 0.020 1 631 94 64 HIS HB2 H 3.326 0.020 2 632 94 64 HIS HB3 H 3.326 0.020 2 633 94 64 HIS C C 176.394 0.300 1 634 94 64 HIS CA C 59.296 0.300 1 635 94 64 HIS CB C 27.179 0.300 1 636 94 64 HIS N N 114.458 0.300 1 637 95 65 SER H H 8.239 0.020 1 638 95 65 SER HA H 4.170 0.020 1 639 95 65 SER HB2 H 3.934 0.020 2 640 95 65 SER HB3 H 3.934 0.020 2 641 95 65 SER C C 174.725 0.300 1 642 95 65 SER CA C 61.542 0.300 1 643 95 65 SER CB C 62.425 0.300 1 644 95 65 SER N N 116.437 0.300 1 645 96 66 ALA H H 8.407 0.020 1 646 96 66 ALA HA H 4.212 0.020 1 647 96 66 ALA HB H 1.532 0.020 1 648 96 66 ALA C C 179.707 0.300 1 649 96 66 ALA CA C 54.835 0.300 1 650 96 66 ALA CB C 17.012 0.300 1 651 96 66 ALA N N 125.772 0.300 1 652 97 67 LEU H H 8.092 0.020 1 653 97 67 LEU HA H 4.079 0.020 1 654 97 67 LEU HB2 H 1.492 0.020 2 655 97 67 LEU HB3 H 1.492 0.020 2 656 97 67 LEU HG H 1.538 0.020 1 657 97 67 LEU HD1 H 0.859 0.020 2 658 97 67 LEU HD2 H 0.827 0.020 2 659 97 67 LEU C C 178.682 0.300 1 660 97 67 LEU CA C 57.152 0.300 1 661 97 67 LEU CB C 40.972 0.300 1 662 97 67 LEU CG C 26.060 0.300 1 663 97 67 LEU CD1 C 22.600 0.300 1 664 97 67 LEU CD2 C 23.700 0.300 1 665 97 67 LEU N N 118.296 0.300 1 666 98 68 TYR H H 8.010 0.020 1 667 98 68 TYR HA H 4.304 0.020 1 668 98 68 TYR HB2 H 3.248 0.020 2 669 98 68 TYR HB3 H 3.248 0.020 2 670 98 68 TYR C C 177.065 0.300 1 671 98 68 TYR CA C 60.535 0.300 1 672 98 68 TYR CB C 37.149 0.300 1 673 98 68 TYR N N 120.288 0.300 1 674 99 69 PHE H H 8.265 0.020 1 675 99 69 PHE HA H 4.258 0.020 1 676 99 69 PHE HB2 H 3.208 0.020 2 677 99 69 PHE HB3 H 3.208 0.020 2 678 99 69 PHE C C 177.044 0.300 1 679 99 69 PHE CA C 60.775 0.300 1 680 99 69 PHE CB C 37.811 0.300 1 681 99 69 PHE N N 119.063 0.300 1 682 100 70 LYS H H 8.137 0.020 1 683 100 70 LYS HA H 3.899 0.020 1 684 100 70 LYS HB2 H 1.983 0.020 2 685 100 70 LYS HG2 H 1.378 0.020 2 686 100 70 LYS HG3 H 1.606 0.020 2 687 100 70 LYS HE2 H 2.899 0.020 2 688 100 70 LYS C C 178.952 0.300 1 689 100 70 LYS CA C 59.256 0.300 1 690 100 70 LYS CB C 31.079 0.300 1 691 100 70 LYS CG C 24.691 0.300 1 692 100 70 LYS CD C 28.653 0.300 1 693 100 70 LYS CE C 41.589 0.300 1 694 100 70 LYS N N 118.740 0.300 1 695 101 71 TYR H H 8.218 0.020 1 696 101 71 TYR HA H 4.140 0.020 1 697 101 71 TYR HB2 H 3.100 0.020 2 698 101 71 TYR HB3 H 3.210 0.020 2 699 101 71 TYR C C 177.809 0.300 1 700 101 71 TYR CA C 60.428 0.300 1 701 101 71 TYR CB C 37.162 0.300 1 702 101 71 TYR N N 122.397 0.300 1 703 102 72 LEU H H 8.377 0.020 1 704 102 72 LEU HA H 3.790 0.020 1 705 102 72 LEU HB2 H 1.712 0.020 2 706 102 72 LEU HB3 H 1.712 0.020 2 707 102 72 LEU HG H 1.455 0.020 1 708 102 72 LEU HD1 H 0.796 0.020 2 709 102 72 LEU HD2 H 0.739 0.020 2 710 102 72 LEU C C 179.121 0.300 1 711 102 72 LEU CA C 57.859 0.300 1 712 102 72 LEU CB C 41.048 0.300 1 713 102 72 LEU CG C 25.847 0.300 1 714 102 72 LEU CD1 C 22.260 0.300 1 715 102 72 LEU CD2 C 23.774 0.300 1 716 102 72 LEU N N 122.868 0.300 1 717 103 73 LEU H H 8.371 0.020 1 718 103 73 LEU HA H 3.982 0.020 1 719 103 73 LEU HB2 H 1.538 0.020 2 720 103 73 LEU HB3 H 1.538 0.020 2 721 103 73 LEU HG H 1.583 0.020 1 722 103 73 LEU HD1 H 0.758 0.020 2 723 103 73 LEU HD2 H 0.829 0.020 2 724 103 73 LEU C C 179.722 0.300 1 725 103 73 LEU CA C 56.962 0.300 1 726 103 73 LEU CB C 40.881 0.300 1 727 103 73 LEU CG C 26.231 0.300 1 728 103 73 LEU CD1 C 22.220 0.300 1 729 103 73 LEU CD2 C 23.934 0.300 1 730 103 73 LEU N N 119.143 0.300 1 731 104 74 SER H H 8.062 0.020 1 732 104 74 SER HA H 4.189 0.020 1 733 104 74 SER HB2 H 3.963 0.020 2 734 104 74 SER HB3 H 3.963 0.020 2 735 104 74 SER C C 175.441 0.300 1 736 104 74 SER CA C 60.686 0.300 1 737 104 74 SER CB C 62.537 0.300 1 738 104 74 SER N N 115.420 0.300 1 739 105 75 ASN H H 7.770 0.020 1 740 105 75 ASN HA H 4.504 0.020 1 741 105 75 ASN HB2 H 2.465 0.020 2 742 105 75 ASN HB3 H 2.513 0.020 2 743 105 75 ASN C C 175.709 0.300 1 744 105 75 ASN CA C 55.168 0.300 1 745 105 75 ASN CB C 38.551 0.300 1 746 105 75 ASN N N 120.924 0.300 1 747 106 76 TYR H H 8.322 0.020 1 748 106 76 TYR HA H 4.287 0.020 1 749 106 76 TYR HB2 H 3.079 0.020 2 750 106 76 TYR HB3 H 3.079 0.020 2 751 106 76 TYR C C 177.398 0.300 1 752 106 76 TYR CA C 59.818 0.300 1 753 106 76 TYR CB C 37.438 0.300 1 754 106 76 TYR N N 120.696 0.300 1 755 107 77 SER H H 8.231 0.020 1 756 107 77 SER HA H 4.266 0.020 1 757 107 77 SER HB2 H 3.959 0.020 2 758 107 77 SER HB3 H 3.959 0.020 2 759 107 77 SER C C 175.081 0.300 1 760 107 77 SER CA C 60.450 0.300 1 761 107 77 SER CB C 62.581 0.300 1 762 107 77 SER N N 115.722 0.300 1 763 108 78 SER H H 7.791 0.020 1 764 108 78 SER HA H 4.299 0.020 1 765 108 78 SER HB2 H 4.012 0.020 2 766 108 78 SER HB3 H 4.012 0.020 2 767 108 78 SER C C 175.484 0.300 1 768 108 78 SER CA C 60.528 0.300 1 769 108 78 SER CB C 62.473 0.300 1 770 108 78 SER N N 117.667 0.300 1 771 109 79 VAL H H 7.845 0.020 1 772 109 79 VAL HA H 3.834 0.020 1 773 109 79 VAL HB H 2.099 0.020 1 774 109 79 VAL HG1 H 0.935 0.020 2 775 109 79 VAL HG2 H 0.984 0.020 2 776 109 79 VAL C C 176.751 0.300 1 777 109 79 VAL CA C 65.158 0.300 1 778 109 79 VAL CB C 31.217 0.300 1 779 109 79 VAL CG1 C 19.930 0.300 1 780 109 79 VAL CG2 C 20.546 0.300 1 781 109 79 VAL N N 121.922 0.300 1 782 110 80 THR H H 7.708 0.020 1 783 110 80 THR HA H 3.871 0.020 1 784 110 80 THR HB H 4.059 0.020 1 785 110 80 THR HG2 H 1.282 0.020 1 786 110 80 THR C C 176.440 0.300 1 787 110 80 THR CA C 64.888 0.300 1 788 110 80 THR CB C 68.190 0.300 1 789 110 80 THR CG2 C 20.407 0.300 1 790 110 80 THR N N 113.428 0.300 1 791 111 81 TYR H H 7.881 0.020 1 792 111 81 TYR HA H 4.286 0.020 1 793 111 81 TYR HB2 H 3.085 0.020 2 794 111 81 TYR HB3 H 3.085 0.020 2 795 111 81 TYR C C 177.106 0.300 1 796 111 81 TYR CA C 59.989 0.300 1 797 111 81 TYR CB C 37.274 0.300 1 798 111 81 TYR N N 122.505 0.300 1 799 112 82 ALA H H 7.868 0.020 1 800 112 82 ALA HA H 4.037 0.020 1 801 112 82 ALA HB H 1.476 0.020 1 802 112 82 ALA C C 178.923 0.300 1 803 112 82 ALA CA C 54.115 0.300 1 804 112 82 ALA CB C 17.311 0.300 1 805 112 82 ALA N N 122.714 0.300 1 806 113 83 LEU H H 7.938 0.020 1 807 113 83 LEU HA H 4.231 0.020 1 808 113 83 LEU HB2 H 1.800 0.020 2 809 113 83 LEU HB3 H 1.554 0.020 2 810 113 83 LEU HG H 1.811 0.020 1 811 113 83 LEU HD1 H 0.797 0.020 2 812 113 83 LEU HD2 H 0.786 0.020 2 813 113 83 LEU C C 178.082 0.300 1 814 113 83 LEU CA C 56.112 0.300 1 815 113 83 LEU CB C 41.827 0.300 1 816 113 83 LEU CG C 26.157 0.300 1 817 113 83 LEU CD1 C 21.527 0.300 1 818 113 83 LEU CD2 C 23.880 0.300 1 819 113 83 LEU N N 116.717 0.300 1 820 114 84 THR H H 7.651 0.020 1 821 114 84 THR HA H 4.243 0.020 1 822 114 84 THR HB H 4.230 0.020 1 823 114 84 THR HG2 H 1.207 0.020 1 824 114 84 THR C C 175.127 0.300 1 825 114 84 THR CA C 62.576 0.300 1 826 114 84 THR CB C 69.614 0.300 1 827 114 84 THR CG2 C 20.189 0.300 1 828 114 84 THR N N 109.204 0.300 1 829 115 85 GLY H H 7.884 0.020 1 830 115 85 GLY HA2 H 3.929 0.020 2 831 115 85 GLY HA3 H 3.793 0.020 2 832 115 85 GLY C C 173.649 0.300 1 833 115 85 GLY CA C 44.894 0.300 1 834 115 85 GLY N N 109.649 0.300 1 835 116 86 PHE H H 7.878 0.020 1 836 116 86 PHE HA H 4.668 0.020 1 837 116 86 PHE HB2 H 3.096 0.020 2 838 116 86 PHE HB3 H 3.096 0.020 2 839 116 86 PHE C C 173.805 0.300 1 840 116 86 PHE CA C 58.563 0.300 1 841 116 86 PHE CB C 37.717 0.300 1 842 116 86 PHE N N 121.283 0.300 1 843 117 87 PRO HA H 4.229 0.020 1 844 117 87 PRO HB2 H 1.724 0.020 2 845 117 87 PRO HB3 H 1.724 0.020 2 846 117 87 PRO HG2 H 1.898 0.020 2 847 117 87 PRO HD2 H 3.724 0.020 2 848 117 87 PRO HD3 H 3.503 0.020 2 849 117 87 PRO C C 177.540 0.300 1 850 117 87 PRO CA C 64.303 0.300 1 851 117 87 PRO CB C 30.472 0.300 1 852 117 87 PRO CG C 27.056 0.300 1 853 117 87 PRO CD C 49.625 0.300 1 854 118 88 GLN H H 8.049 0.020 1 855 118 88 GLN HA H 4.064 0.020 1 856 118 88 GLN HB2 H 2.327 0.020 2 857 118 88 GLN HB3 H 2.327 0.020 2 858 118 88 GLN HG2 H 2.292 0.020 2 859 118 88 GLN C C 176.480 0.300 1 860 118 88 GLN CA C 58.008 0.300 1 861 118 88 GLN CB C 27.458 0.300 1 862 118 88 GLN CG C 33.173 0.300 1 863 118 88 GLN N N 117.912 0.300 1 864 119 89 PHE H H 7.768 0.020 1 865 119 89 PHE HA H 4.426 0.020 1 866 119 89 PHE HB2 H 3.141 0.020 2 867 119 89 PHE HB3 H 3.141 0.020 2 868 119 89 PHE C C 176.725 0.300 1 869 119 89 PHE CA C 58.753 0.300 1 870 119 89 PHE CB C 38.338 0.300 1 871 119 89 PHE N N 119.209 0.300 1 872 120 90 ILE H H 7.702 0.020 1 873 120 90 ILE HA H 3.927 0.020 1 874 120 90 ILE HB H 1.781 0.020 1 875 120 90 ILE HG12 H 1.365 0.020 2 876 120 90 ILE HG13 H 1.116 0.020 2 877 120 90 ILE HG2 H 0.816 0.020 1 878 120 90 ILE HD1 H 0.778 0.020 1 879 120 90 ILE C C 176.569 0.300 1 880 120 90 ILE CA C 61.922 0.300 1 881 120 90 ILE CB C 37.452 0.300 1 882 120 90 ILE CG1 C 26.964 0.300 1 883 120 90 ILE CG2 C 16.526 0.300 1 884 120 90 ILE CD1 C 11.494 0.300 1 885 120 90 ILE N N 119.059 0.300 1 886 121 91 SER H H 7.738 0.020 1 887 121 91 SER HA H 4.331 0.020 1 888 121 91 SER HB2 H 3.950 0.020 2 889 121 91 SER HB3 H 3.950 0.020 2 890 121 91 SER C C 174.756 0.300 1 891 121 91 SER CA C 58.859 0.300 1 892 121 91 SER CB C 63.082 0.300 1 893 121 91 SER N N 116.155 0.300 1 894 122 92 ARG H H 7.747 0.020 1 895 122 92 ARG HA H 4.245 0.020 1 896 122 92 ARG HB2 H 1.807 0.020 2 897 122 92 ARG HG2 H 1.813 0.020 2 898 122 92 ARG HD2 H 3.144 0.020 2 899 122 92 ARG C C 176.577 0.300 1 900 122 92 ARG CA C 56.408 0.300 1 901 122 92 ARG CB C 29.556 0.300 1 902 122 92 ARG CG C 26.807 0.300 1 903 122 92 ARG CD C 42.694 0.300 1 904 122 92 ARG N N 121.210 0.300 1 905 123 93 GLY H H 7.988 0.020 1 906 123 93 GLY HA2 H 3.871 0.020 2 907 123 93 GLY HA3 H 3.871 0.020 2 908 123 93 GLY C C 173.737 0.300 1 909 123 93 GLY CA C 44.986 0.300 1 910 123 93 GLY N N 107.473 0.300 1 911 124 94 ASP H H 7.938 0.020 1 912 124 94 ASP HA H 4.683 0.020 1 913 124 94 ASP HB2 H 2.828 0.020 2 914 124 94 ASP HB3 H 2.909 0.020 2 915 124 94 ASP C C 174.718 0.300 1 916 124 94 ASP CA C 52.667 0.300 1 917 124 94 ASP CB C 37.189 0.300 1 918 124 94 ASP N N 118.420 0.300 1 919 125 95 VAL H H 7.641 0.020 1 920 125 95 VAL HA H 3.955 0.020 1 921 125 95 VAL HB H 2.047 0.020 1 922 125 95 VAL HG1 H 0.861 0.020 2 923 125 95 VAL HG2 H 0.832 0.020 2 924 125 95 VAL C C 175.524 0.300 1 925 125 95 VAL CA C 62.409 0.300 1 926 125 95 VAL CB C 31.665 0.300 1 927 125 95 VAL CG1 C 19.659 0.300 1 928 125 95 VAL CG2 C 19.747 0.300 1 929 125 95 VAL N N 119.555 0.300 1 930 126 96 HIS H H 8.304 0.020 1 931 126 96 HIS HA H 4.656 0.020 1 932 126 96 HIS HB2 H 3.183 0.020 2 933 126 96 HIS HB3 H 3.122 0.020 2 934 126 96 HIS C C 173.802 0.300 1 935 126 96 HIS CA C 54.987 0.300 1 936 126 96 HIS CB C 28.081 0.300 1 937 126 96 HIS N N 120.575 0.300 1 938 127 97 VAL H H 7.697 0.020 1 939 127 97 VAL HA H 4.014 0.020 1 940 127 97 VAL HB H 1.984 0.020 1 941 127 97 VAL HG1 H 0.863 0.020 2 942 127 97 VAL HG2 H 0.843 0.020 2 943 127 97 VAL C C 175.380 0.300 1 944 127 97 VAL CA C 62.306 0.300 1 945 127 97 VAL CB C 32.103 0.300 1 946 127 97 VAL CG1 C 19.567 0.300 1 947 127 97 VAL CG2 C 20.017 0.300 1 948 127 97 VAL N N 119.808 0.300 1 949 128 98 TYR H H 7.821 0.020 1 950 128 98 TYR HA H 4.516 0.020 1 951 128 98 TYR HB2 H 3.051 0.020 2 952 128 98 TYR HB3 H 2.931 0.020 2 953 128 98 TYR C C 176.022 0.300 1 954 128 98 TYR CA C 57.820 0.300 1 955 128 98 TYR CB C 37.996 0.300 1 956 128 98 TYR N N 122.435 0.300 1 957 129 99 GLY H H 8.001 0.020 1 958 129 99 GLY HA2 H 3.928 0.020 2 959 129 99 GLY HA3 H 3.928 0.020 2 960 129 99 GLY C C 173.662 0.300 1 961 129 99 GLY CA C 45.012 0.300 1 962 129 99 GLY N N 109.448 0.300 1 963 130 100 ALA H H 7.829 0.020 1 964 130 100 ALA HA H 4.302 0.020 1 965 130 100 ALA HB H 1.411 0.020 1 966 130 100 ALA C C 177.667 0.300 1 967 130 100 ALA CA C 52.827 0.300 1 968 130 100 ALA CB C 18.015 0.300 1 969 130 100 ALA N N 123.441 0.300 1 970 131 101 THR H H 7.888 0.020 1 971 131 101 THR HA H 4.206 0.020 1 972 131 101 THR HB H 4.208 0.020 1 973 131 101 THR HG2 H 1.258 0.020 1 974 131 101 THR C C 174.535 0.300 1 975 131 101 THR CA C 63.344 0.300 1 976 131 101 THR CB C 68.727 0.300 1 977 131 101 THR CG2 C 20.536 0.300 1 978 131 101 THR N N 110.987 0.300 1 979 132 102 ASN H H 7.959 0.020 1 980 132 102 ASN HA H 4.667 0.020 1 981 132 102 ASN HB2 H 2.826 0.020 2 982 132 102 ASN HB3 H 2.826 0.020 2 983 132 102 ASN C C 175.625 0.300 1 984 132 102 ASN CA C 53.878 0.300 1 985 132 102 ASN CB C 38.207 0.300 1 986 132 102 ASN N N 119.887 0.300 1 987 133 103 ILE H H 7.724 0.020 1 988 133 103 ILE HA H 3.944 0.020 1 989 133 103 ILE HB H 1.913 0.020 1 990 133 103 ILE HG12 H 1.527 0.020 2 991 133 103 ILE HG2 H 0.914 0.020 1 992 133 103 ILE HD1 H 0.863 0.020 1 993 133 103 ILE C C 176.061 0.300 1 994 133 103 ILE CA C 62.539 0.300 1 995 133 103 ILE CB C 37.381 0.300 1 996 133 103 ILE CG1 C 27.773 0.300 1 997 133 103 ILE CG2 C 16.206 0.300 1 998 133 103 ILE CD1 C 11.578 0.300 1 999 133 103 ILE N N 120.337 0.300 1 1000 134 104 ILE H H 7.659 0.020 1 1001 134 104 ILE HA H 3.754 0.020 1 1002 134 104 ILE HB H 1.918 0.020 1 1003 134 104 ILE HG12 H 1.588 0.020 2 1004 134 104 ILE HG2 H 0.921 0.020 1 1005 134 104 ILE HD1 H 0.833 0.020 1 1006 134 104 ILE C C 176.842 0.300 1 1007 134 104 ILE CA C 63.661 0.300 1 1008 134 104 ILE CB C 36.664 0.300 1 1009 134 104 ILE CG1 C 28.112 0.300 1 1010 134 104 ILE CG2 C 16.010 0.300 1 1011 134 104 ILE CD1 C 10.828 0.300 1 1012 134 104 ILE N N 120.350 0.300 1 1013 135 105 GLN H H 7.588 0.020 1 1014 135 105 GLN HA H 3.962 0.020 1 1015 135 105 GLN HB2 H 2.143 0.020 2 1016 135 105 GLN HB3 H 2.143 0.020 2 1017 135 105 GLN HG2 H 2.334 0.020 2 1018 135 105 GLN C C 177.219 0.300 1 1019 135 105 GLN CA C 59.108 0.300 1 1020 135 105 GLN CB C 28.015 0.300 1 1021 135 105 GLN CG C 33.842 0.300 1 1022 135 105 GLN N N 117.696 0.300 1 1023 136 106 VAL H H 7.408 0.020 1 1024 136 106 VAL HA H 3.597 0.020 1 1025 136 106 VAL HB H 2.245 0.020 1 1026 136 106 VAL HG1 H 0.930 0.020 2 1027 136 106 VAL HG2 H 1.016 0.020 2 1028 136 106 VAL C C 177.304 0.300 1 1029 136 106 VAL CA C 65.920 0.300 1 1030 136 106 VAL CB C 30.963 0.300 1 1031 136 106 VAL CG1 C 19.789 0.300 1 1032 136 106 VAL CG2 C 21.083 0.300 1 1033 136 106 VAL N N 118.250 0.300 1 1034 137 107 LEU H H 7.968 0.020 1 1035 137 107 LEU HA H 4.070 0.020 1 1036 137 107 LEU HB2 H 1.907 0.020 2 1037 137 107 LEU HB3 H 1.907 0.020 2 1038 137 107 LEU HG H 1.531 0.020 1 1039 137 107 LEU HD1 H 0.800 0.020 2 1040 137 107 LEU HD2 H 0.840 0.020 2 1041 137 107 LEU C C 180.082 0.300 1 1042 137 107 LEU CA C 57.197 0.300 1 1043 137 107 LEU CB C 40.966 0.300 1 1044 137 107 LEU CG C 25.807 0.300 1 1045 137 107 LEU CD1 C 21.322 0.300 1 1046 137 107 LEU CD2 C 23.840 0.300 1 1047 137 107 LEU N N 119.658 0.300 1 1048 138 108 LEU H H 8.479 0.020 1 1049 138 108 LEU HA H 4.087 0.020 1 1050 138 108 LEU HB2 H 1.841 0.020 2 1051 138 108 LEU HB3 H 1.841 0.020 2 1052 138 108 LEU HG H 1.704 0.020 1 1053 138 108 LEU HD1 H 0.836 0.020 2 1054 138 108 LEU HD2 H 0.713 0.020 2 1055 138 108 LEU C C 178.861 0.300 1 1056 138 108 LEU CA C 58.090 0.300 1 1057 138 108 LEU CB C 41.184 0.300 1 1058 138 108 LEU CG C 26.240 0.300 1 1059 138 108 LEU CD1 C 22.366 0.300 1 1060 138 108 LEU CD2 C 22.920 0.300 1 1061 138 108 LEU N N 122.608 0.300 1 1062 139 109 VAL H H 8.086 0.020 1 1063 139 109 VAL HA H 3.593 0.020 1 1064 139 109 VAL HB H 2.190 0.020 1 1065 139 109 VAL HG1 H 0.934 0.020 2 1066 139 109 VAL HG2 H 1.083 0.020 2 1067 139 109 VAL C C 177.957 0.300 1 1068 139 109 VAL CA C 66.759 0.300 1 1069 139 109 VAL CB C 30.799 0.300 1 1070 139 109 VAL CG1 C 19.851 0.300 1 1071 139 109 VAL CG2 C 21.667 0.300 1 1072 139 109 VAL N N 120.165 0.300 1 1073 140 110 ALA H H 8.633 0.020 1 1074 140 110 ALA HA H 4.107 0.020 1 1075 140 110 ALA HB H 1.493 0.020 1 1076 140 110 ALA C C 180.999 0.300 1 1077 140 110 ALA CA C 54.889 0.300 1 1078 140 110 ALA CB C 16.824 0.300 1 1079 140 110 ALA N N 121.949 0.300 1 1080 141 111 SER H H 8.329 0.020 1 1081 141 111 SER HA H 4.199 0.020 1 1082 141 111 SER HB2 H 3.947 0.020 2 1083 141 111 SER HB3 H 3.947 0.020 2 1084 141 111 SER C C 176.083 0.300 1 1085 141 111 SER CA C 62.122 0.300 1 1086 141 111 SER N N 116.938 0.300 1 1087 142 112 ILE H H 8.319 0.020 1 1088 142 112 ILE HA H 3.743 0.020 1 1089 142 112 ILE HB H 2.007 0.020 1 1090 142 112 ILE HG12 H 1.304 0.020 2 1091 142 112 ILE HG2 H 0.890 0.020 1 1092 142 112 ILE HD1 H 0.820 0.020 1 1093 142 112 ILE C C 178.155 0.300 1 1094 142 112 ILE CA C 64.667 0.300 1 1095 142 112 ILE CB C 37.688 0.300 1 1096 142 112 ILE CG1 C 28.237 0.300 1 1097 142 112 ILE CG2 C 15.694 0.300 1 1098 142 112 ILE CD1 C 11.724 0.300 1 1099 142 112 ILE N N 126.219 0.300 1 1100 143 113 GLU H H 8.755 0.020 1 1101 143 113 GLU HA H 3.981 0.020 1 1102 143 113 GLU HB2 H 2.219 0.020 2 1103 143 113 GLU HB3 H 2.113 0.020 2 1104 143 113 GLU HG2 H 2.371 0.020 2 1105 143 113 GLU HG3 H 2.631 0.020 2 1106 143 113 GLU C C 177.812 0.300 1 1107 143 113 GLU CA C 59.257 0.300 1 1108 143 113 GLU CB C 27.347 0.300 1 1109 143 113 GLU CG C 32.398 0.300 1 1110 143 113 GLU N N 119.158 0.300 1 1111 144 114 THR H H 8.159 0.020 1 1112 144 114 THR HA H 3.933 0.020 1 1113 144 114 THR HB H 4.288 0.020 1 1114 144 114 THR HG2 H 1.244 0.020 1 1115 144 114 THR C C 175.681 0.300 1 1116 144 114 THR CA C 66.042 0.300 1 1117 144 114 THR CB C 68.512 0.300 1 1118 144 114 THR CG2 C 20.174 0.300 1 1119 144 114 THR N N 112.482 0.300 1 1120 145 115 SER H H 7.773 0.020 1 1121 145 115 SER HA H 4.126 0.020 1 1122 145 115 SER HB2 H 4.016 0.020 2 1123 145 115 SER HB3 H 4.016 0.020 2 1124 145 115 SER C C 175.828 0.300 1 1125 145 115 SER CA C 61.522 0.300 1 1126 145 115 SER CB C 62.598 0.300 1 1127 145 115 SER N N 117.661 0.300 1 1128 146 116 LEU H H 8.131 0.020 1 1129 146 116 LEU HA H 4.199 0.020 1 1130 146 116 LEU HB2 H 1.886 0.020 2 1131 146 116 LEU HB3 H 1.886 0.020 2 1132 146 116 LEU HG H 1.660 0.020 1 1133 146 116 LEU HD1 H 0.847 0.020 2 1134 146 116 LEU HD2 H 0.870 0.020 2 1135 146 116 LEU C C 178.180 0.300 1 1136 146 116 LEU CA C 57.742 0.300 1 1137 146 116 LEU CB C 41.189 0.300 1 1138 146 116 LEU CG C 26.020 0.300 1 1139 146 116 LEU CD1 C 22.189 0.300 1 1140 146 116 LEU CD2 C 23.263 0.300 1 1141 146 116 LEU N N 124.296 0.300 1 1142 147 117 VAL H H 7.992 0.020 1 1143 147 117 VAL HA H 3.633 0.020 1 1144 147 117 VAL HB H 2.183 0.020 1 1145 147 117 VAL HG1 H 0.923 0.020 2 1146 147 117 VAL HG2 H 1.059 0.020 2 1147 147 117 VAL C C 177.523 0.300 1 1148 147 117 VAL CA C 66.188 0.300 1 1149 147 117 VAL CB C 30.863 0.300 1 1150 147 117 VAL CG1 C 19.966 0.300 1 1151 147 117 VAL CG2 C 21.464 0.300 1 1152 147 117 VAL N N 118.366 0.300 1 1153 148 118 PHE H H 8.060 0.020 1 1154 148 118 PHE HA H 4.192 0.020 1 1155 148 118 PHE HB2 H 3.238 0.020 2 1156 148 118 PHE HB3 H 3.238 0.020 2 1157 148 118 PHE C C 176.762 0.300 1 1158 148 118 PHE CA C 60.915 0.300 1 1159 148 118 PHE CB C 38.332 0.300 1 1160 148 118 PHE N N 119.527 0.300 1 1161 149 119 GLN H H 7.967 0.020 1 1162 149 119 GLN HA H 3.892 0.020 1 1163 149 119 GLN HB2 H 2.330 0.020 2 1164 149 119 GLN HB3 H 2.330 0.020 2 1165 149 119 GLN HG2 H 2.636 0.020 2 1166 149 119 GLN C C 177.630 0.300 1 1167 149 119 GLN CA C 58.865 0.300 1 1168 149 119 GLN CB C 28.345 0.300 1 1169 149 119 GLN CG C 34.031 0.300 1 1170 149 119 GLN N N 117.488 0.300 1 1171 150 120 ILE H H 8.224 0.020 1 1172 150 120 ILE HA H 3.740 0.020 1 1173 150 120 ILE HB H 1.986 0.020 1 1174 150 120 ILE HG12 H 1.085 0.020 2 1175 150 120 ILE HG2 H 0.656 0.020 1 1176 150 120 ILE HD1 H 0.813 0.020 1 1177 150 120 ILE C C 177.348 0.300 1 1178 150 120 ILE CA C 64.401 0.300 1 1179 150 120 ILE CB C 37.218 0.300 1 1180 150 120 ILE CG1 C 28.001 0.300 1 1181 150 120 ILE CG2 C 15.400 0.300 1 1182 150 120 ILE CD1 C 11.396 0.300 1 1183 150 120 ILE N N 119.443 0.300 1 1184 151 121 LYS H H 8.147 0.020 1 1185 151 121 LYS HA H 3.991 0.020 1 1186 151 121 LYS HB2 H 1.972 0.020 2 1187 151 121 LYS HB3 H 1.853 0.020 2 1188 151 121 LYS HG2 H 1.378 0.020 2 1189 151 121 LYS HG3 H 1.573 0.020 2 1190 151 121 LYS HD2 H 1.629 0.020 2 1191 151 121 LYS HE2 H 2.899 0.020 2 1192 151 121 LYS C C 179.242 0.300 1 1193 151 121 LYS CA C 59.212 0.300 1 1194 151 121 LYS CB C 31.459 0.300 1 1195 151 121 LYS CG C 24.510 0.300 1 1196 151 121 LYS CD C 28.691 0.300 1 1197 151 121 LYS CE C 41.556 0.300 1 1198 151 121 LYS N N 119.476 0.300 1 1199 152 122 VAL H H 8.048 0.020 1 1200 152 122 VAL HA H 3.593 0.020 1 1201 152 122 VAL HB H 2.058 0.020 1 1202 152 122 VAL HG1 H 0.808 0.020 2 1203 152 122 VAL HG2 H 1.016 0.020 2 1204 152 122 VAL C C 177.950 0.300 1 1205 152 122 VAL CA C 65.882 0.300 1 1206 152 122 VAL CB C 30.824 0.300 1 1207 152 122 VAL CG1 C 20.052 0.300 1 1208 152 122 VAL CG2 C 21.078 0.300 1 1209 152 122 VAL N N 120.957 0.300 1 1210 153 123 ILE H H 7.975 0.020 1 1211 153 123 ILE HA H 3.702 0.020 1 1212 153 123 ILE HB H 1.868 0.020 1 1213 153 123 ILE HG12 H 1.838 0.020 2 1214 153 123 ILE HG2 H 0.660 0.020 1 1215 153 123 ILE HD1 H 0.822 0.020 1 1216 153 123 ILE C C 178.116 0.300 1 1217 153 123 ILE CA C 64.142 0.300 1 1218 153 123 ILE CB C 37.144 0.300 1 1219 153 123 ILE CG1 C 28.045 0.300 1 1220 153 123 ILE CG2 C 15.840 0.300 1 1221 153 123 ILE CD1 C 11.507 0.300 1 1222 153 123 ILE N N 121.400 0.300 1 1223 154 124 PHE H H 8.503 0.020 1 1224 154 124 PHE HA H 4.417 0.020 1 1225 154 124 PHE HB2 H 3.172 0.020 2 1226 154 124 PHE HB3 H 3.172 0.020 2 1227 154 124 PHE C C 177.464 0.300 1 1228 154 124 PHE CA C 59.688 0.300 1 1229 154 124 PHE CB C 38.229 0.300 1 1230 154 124 PHE N N 118.734 0.300 1 1231 155 125 THR H H 7.947 0.020 1 1232 155 125 THR HA H 4.156 0.020 1 1233 155 125 THR HB H 4.321 0.020 1 1234 155 125 THR HG2 H 1.251 0.020 1 1235 155 125 THR C C 175.654 0.300 1 1236 155 125 THR CA C 62.895 0.300 1 1237 155 125 THR CB C 69.052 0.300 1 1238 155 125 THR CG2 C 20.839 0.300 1 1239 155 125 THR N N 112.790 0.300 1 1240 156 126 GLY H H 8.022 0.020 1 1241 156 126 GLY HA2 H 3.935 0.020 2 1242 156 126 GLY HA3 H 3.935 0.020 2 1243 156 126 GLY C C 174.420 0.300 1 1244 156 126 GLY CA C 45.642 0.300 1 1245 156 126 GLY N N 110.066 0.300 1 1246 157 127 ASP H H 8.118 0.020 1 1247 157 127 ASP HA H 4.620 0.020 1 1248 157 127 ASP HB2 H 2.864 0.020 2 1249 157 127 ASP HB3 H 2.864 0.020 2 1250 157 127 ASP C C 174.998 0.300 1 1251 157 127 ASP CA C 53.158 0.300 1 1252 157 127 ASP CB C 37.032 0.300 1 1253 157 127 ASP N N 118.471 0.300 1 1254 158 128 ASN H H 7.975 0.020 1 1255 158 128 ASN HA H 4.560 0.020 1 1256 158 128 ASN HB2 H 2.613 0.020 2 1257 158 128 ASN HB3 H 2.582 0.020 2 1258 158 128 ASN C C 174.520 0.300 1 1259 158 128 ASN CA C 53.622 0.300 1 1260 158 128 ASN CB C 38.139 0.300 1 1261 158 128 ASN N N 117.962 0.300 1 1262 159 129 PHE H H 7.752 0.020 1 1263 159 129 PHE HA H 4.561 0.020 1 1264 159 129 PHE HB2 H 3.042 0.020 2 1265 159 129 PHE HB3 H 3.155 0.020 2 1266 159 129 PHE C C 174.921 0.300 1 1267 159 129 PHE CA C 57.476 0.300 1 1268 159 129 PHE CB C 38.444 0.300 1 1269 159 129 PHE N N 119.152 0.300 1 1270 160 130 LYS H H 7.675 0.020 1 1271 160 130 LYS HA H 4.290 0.020 1 1272 160 130 LYS HB3 H 1.846 0.020 2 1273 160 130 LYS HG2 H 1.390 0.020 2 1274 160 130 LYS HD2 H 1.726 0.020 2 1275 160 130 LYS HE2 H 2.975 0.020 2 1276 160 130 LYS C C 175.325 0.300 1 1277 160 130 LYS CA C 55.644 0.300 1 1278 160 130 LYS CB C 32.240 0.300 1 1279 160 130 LYS CG C 23.870 0.300 1 1280 160 130 LYS CD C 28.415 0.300 1 1281 160 130 LYS CE C 41.699 0.300 1 1282 160 130 LYS N N 121.354 0.300 1 1283 161 131 ARG H H 7.833 0.020 1 1284 161 131 ARG HA H 4.366 0.020 1 1285 161 131 ARG HB2 H 1.927 0.020 2 1286 161 131 ARG HB3 H 1.765 0.020 2 1287 161 131 ARG HG2 H 1.643 0.020 2 1288 161 131 ARG HD2 H 3.171 0.020 2 1289 161 131 ARG C C 177.125 0.300 1 1290 161 131 ARG CA C 54.398 0.300 1 1291 161 131 ARG CB C 30.035 0.300 1 1292 161 131 ARG CG C 26.407 0.300 1 1293 161 131 ARG CD C 42.694 0.300 1 1294 161 131 ARG N N 121.683 0.300 1 stop_ save_