data_17532 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of Ca2+-bound CaBP1 C-domain with RDC ; _BMRB_accession_number 17532 _BMRB_flat_file_name bmr17532.str _Entry_type original _Submission_date 2011-03-16 _Accession_date 2011-03-16 _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 Ames James . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 607 "13C chemical shifts" 484 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-28 update BMRB 'update entry citation' 2011-06-24 update BMRB 'update entry citation' 2011-06-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Nuclear magnetic resonance structure of calcium-binding protein 1 in a Ca(2+) -bound closed state: implications for target recognition.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21608059 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Saebomi . . 2 Li Congmin . . 3 Ames James B. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 20 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1356 _Page_last 1366 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CaBP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CaBP1 $CaBP1 CA $CA stop_ _System_molecular_weight 16700 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'calcium sensor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CaBP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CaBP1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MGNCVKYPLRNLSRKDRSLR PEEIEELREAFREFDKDKDG YINCRDLGNCMRTMGYMPTE MELIELSQQINMNLGGHVDF DDFVELMGPKLLAETADMIG VKELRDAFREFDTNGDGEIS TSELREAMRKLLGHQVGHRD IEEIIRDVDLNGDGRVDFEE FVRMMSR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASN 4 CYS 5 VAL 6 LYS 7 TYR 8 PRO 9 LEU 10 ARG 11 ASN 12 LEU 13 SER 14 ARG 15 LYS 16 ASP 17 ARG 18 SER 19 LEU 20 ARG 21 PRO 22 GLU 23 GLU 24 ILE 25 GLU 26 GLU 27 LEU 28 ARG 29 GLU 30 ALA 31 PHE 32 ARG 33 GLU 34 PHE 35 ASP 36 LYS 37 ASP 38 LYS 39 ASP 40 GLY 41 TYR 42 ILE 43 ASN 44 CYS 45 ARG 46 ASP 47 LEU 48 GLY 49 ASN 50 CYS 51 MET 52 ARG 53 THR 54 MET 55 GLY 56 TYR 57 MET 58 PRO 59 THR 60 GLU 61 MET 62 GLU 63 LEU 64 ILE 65 GLU 66 LEU 67 SER 68 GLN 69 GLN 70 ILE 71 ASN 72 MET 73 ASN 74 LEU 75 GLY 76 GLY 77 HIS 78 VAL 79 ASP 80 PHE 81 ASP 82 ASP 83 PHE 84 VAL 85 GLU 86 LEU 87 MET 88 GLY 89 PRO 90 LYS 91 LEU 92 LEU 93 ALA 94 GLU 95 THR 96 ALA 97 ASP 98 MET 99 ILE 100 GLY 101 VAL 102 LYS 103 GLU 104 LEU 105 ARG 106 ASP 107 ALA 108 PHE 109 ARG 110 GLU 111 PHE 112 ASP 113 THR 114 ASN 115 GLY 116 ASP 117 GLY 118 GLU 119 ILE 120 SER 121 THR 122 SER 123 GLU 124 LEU 125 ARG 126 GLU 127 ALA 128 MET 129 ARG 130 LYS 131 LEU 132 LEU 133 GLY 134 HIS 135 GLN 136 VAL 137 GLY 138 HIS 139 ARG 140 ASP 141 ILE 142 GLU 143 GLU 144 ILE 145 ILE 146 ARG 147 ASP 148 VAL 149 ASP 150 LEU 151 ASN 152 GLY 153 ASP 154 GLY 155 ARG 156 VAL 157 ASP 158 PHE 159 GLU 160 GLU 161 PHE 162 VAL 163 ARG 164 MET 165 MET 166 SER 167 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15197 CaBP1 100.00 167 100.00 100.00 1.73e-115 BMRB 15623 CaBP1 100.00 167 100.00 100.00 1.73e-115 BMRB 16862 CaBP1 100.00 167 100.00 100.00 1.73e-115 PDB 2LAN "Nmr Structure Of Ca2+-Bound Cabp1 N-Domain With Rdc" 100.00 167 100.00 100.00 1.73e-115 PDB 2LAP "Nmr Structure Of Ca2+-Bound Cabp1 C-Domain With Rdc" 100.00 167 100.00 100.00 1.73e-115 PDB 3OX5 "Crystal Structure Of The Calcium Sensor Calcium-Binding Protein 1 (Cabp1)" 91.02 153 100.00 100.00 6.67e-103 PDB 3OX6 "Crystal Structure Of The Calcium Sensor Calcium-Binding Protein 1 (Cabp1)" 91.02 153 99.34 99.34 3.75e-102 DBJ BAE24603 "unnamed protein product [Mus musculus]" 92.22 212 98.70 99.35 1.69e-102 EMBL CAC43037 "Caldendrin, isoform S1 [Rattus norvegicus]" 100.00 167 99.40 99.40 1.91e-114 EMBL CAD20347 "caldendrin [Rattus norvegicus]" 91.62 298 99.35 100.00 3.57e-103 GB AAF25782 "s-CaBP1 [Homo sapiens]" 100.00 167 100.00 100.00 1.73e-115 GB AAF25784 "S-CaBP1 [Bos taurus]" 100.00 167 99.40 99.40 1.91e-114 GB AAF25787 "S-CaBP1 [Mus musculus]" 100.00 167 99.40 99.40 1.91e-114 GB AAH30201 "Calcium binding protein 1 [Homo sapiens]" 91.62 370 99.35 100.00 2.00e-104 GB ABM86439 "calcium binding protein 1 (calbrain) [synthetic construct]" 92.22 304 98.70 99.35 1.03e-102 REF NP_001028847 "calcium-binding protein 1 isoform 2 [Rattus norvegicus]" 100.00 167 99.40 99.40 1.91e-114 REF NP_001028848 "calcium-binding protein 1 isoform 3 [Rattus norvegicus]" 91.62 350 99.35 100.00 1.76e-103 REF NP_001028849 "calcium-binding protein 1 isoform 3 [Homo sapiens]" 91.62 370 99.35 100.00 1.75e-104 REF NP_001297641 "calcium-binding protein 1 isoform 1 [Mus musculus]" 91.62 350 99.35 100.00 1.78e-103 REF NP_001297644 "calcium-binding protein 1 isoform 3 [Mus musculus]" 100.00 167 99.40 99.40 1.91e-114 SP O88751 "RecName: Full=Calcium-binding protein 1; Short=CaBP1; AltName: Full=Caldendrin" 91.62 298 99.35 100.00 3.57e-103 SP Q9NZU7 "RecName: Full=Calcium-binding protein 1; Short=CaBP1; AltName: Full=Calbrain; AltName: Full=Caldendrin" 91.62 370 99.35 100.00 1.75e-104 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Apr 4 12:14:38 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CaBP1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $CaBP1 'recombinant technology' 'Escherichia coli' Escherichia coli . pET3b 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 $CaBP1 1.0 mM '[U-98% 13C; U-98% 15N]' $CA 5.0 mM 'natural abundance' TRIS 10.0 mM 'natural abundance' 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_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.23 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 7.4 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 CaBP1 _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 15 15 LYS HA H 4.313 0.04 1 2 15 15 LYS HB2 H 1.870 0.04 2 3 15 15 LYS HB3 H 1.800 0.04 2 4 15 15 LYS C C 176.111 0.2 1 5 15 15 LYS CA C 56.722 0.2 1 6 15 15 LYS CB C 32.883 0.2 1 7 16 16 ASP H H 8.219 0.04 1 8 16 16 ASP HA H 4.612 0.04 1 9 16 16 ASP HB2 H 2.657 0.04 2 10 16 16 ASP HB3 H 2.735 0.04 2 11 16 16 ASP C C 175.635 0.2 1 12 16 16 ASP CA C 54.049 0.2 1 13 16 16 ASP CB C 41.190 0.2 1 14 16 16 ASP N N 119.878 0.2 1 15 17 17 ARG H H 8.010 0.04 1 16 17 17 ARG HA H 4.405 0.04 1 17 17 17 ARG HB2 H 1.940 0.04 2 18 17 17 ARG C C 174.866 0.2 1 19 17 17 ARG CA C 55.474 0.2 1 20 17 17 ARG CB C 30.781 0.2 1 21 17 17 ARG N N 119.816 0.2 1 22 18 18 SER H H 8.030 0.04 1 23 18 18 SER HA H 4.553 0.04 1 24 18 18 SER HB2 H 3.782 0.04 2 25 18 18 SER HB3 H 3.859 0.04 2 26 18 18 SER C C 174.494 0.2 1 27 18 18 SER CA C 57.617 0.2 1 28 18 18 SER CB C 64.608 0.2 1 29 18 18 SER N N 115.342 0.2 1 30 19 19 LEU H H 8.458 0.04 1 31 19 19 LEU HA H 4.373 0.04 1 32 19 19 LEU HB2 H 1.687 0.04 2 33 19 19 LEU HB3 H 1.400 0.04 2 34 19 19 LEU HG H 1.714 0.04 1 35 19 19 LEU HD1 H 0.784 0.04 1 36 19 19 LEU HD2 H 0.821 0.04 1 37 19 19 LEU C C 177.506 0.2 1 38 19 19 LEU CA C 55.360 0.2 1 39 19 19 LEU CB C 42.398 0.2 1 40 19 19 LEU CD1 C 26.250 0.2 1 41 19 19 LEU CD2 C 23.600 0.2 1 42 19 19 LEU N N 123.381 0.2 1 43 20 20 ARG H H 9.584 0.04 1 44 20 20 ARG N N 123.683 0.2 1 45 21 21 PRO HA H 4.281 0.04 1 46 21 21 PRO HB2 H 2.486 0.04 2 47 21 21 PRO HB3 H 2.055 0.04 2 48 21 21 PRO C C 179.232 0.2 1 49 21 21 PRO CA C 66.350 0.2 1 50 21 21 PRO CB C 31.740 0.2 1 51 22 22 GLU H H 9.993 0.04 1 52 22 22 GLU HA H 4.220 0.04 1 53 22 22 GLU HB2 H 2.092 0.04 2 54 22 22 GLU C C 179.487 0.2 1 55 22 22 GLU CA C 59.799 0.2 1 56 22 22 GLU CB C 28.274 0.2 1 57 22 22 GLU N N 116.700 0.2 1 58 23 23 GLU H H 7.438 0.04 1 59 23 23 GLU HA H 4.280 0.04 1 60 23 23 GLU HB2 H 2.654 0.04 2 61 23 23 GLU HB3 H 2.203 0.04 2 62 23 23 GLU C C 178.784 0.2 1 63 23 23 GLU CA C 58.808 0.2 1 64 23 23 GLU CB C 30.357 0.2 1 65 23 23 GLU N N 120.542 0.2 1 66 24 24 ILE H H 7.792 0.04 1 67 24 24 ILE HA H 3.812 0.04 1 68 24 24 ILE HB H 2.203 0.04 1 69 24 24 ILE HG12 H 1.659 0.04 1 70 24 24 ILE HG2 H 1.117 0.04 1 71 24 24 ILE HD1 H 0.850 0.04 1 72 24 24 ILE C C 178.421 0.2 1 73 24 24 ILE CA C 64.733 0.2 1 74 24 24 ILE CB C 36.916 0.2 1 75 24 24 ILE CG1 C 29.230 0.2 1 76 24 24 ILE CG2 C 17.510 0.2 1 77 24 24 ILE CD1 C 12.040 0.2 1 78 24 24 ILE N N 120.005 0.2 1 79 25 25 GLU H H 8.062 0.04 1 80 25 25 GLU HA H 4.226 0.04 1 81 25 25 GLU HB2 H 2.154 0.04 2 82 25 25 GLU C C 178.921 0.2 1 83 25 25 GLU CA C 59.247 0.2 1 84 25 25 GLU CB C 28.862 0.2 1 85 25 25 GLU N N 118.385 0.2 1 86 26 26 GLU H H 7.588 0.04 1 87 26 26 GLU HA H 4.231 0.04 1 88 26 26 GLU HB2 H 2.284 0.04 2 89 26 26 GLU C C 180.202 0.2 1 90 26 26 GLU CA C 59.470 0.2 1 91 26 26 GLU CB C 29.486 0.2 1 92 26 26 GLU N N 120.114 0.2 1 93 27 27 LEU H H 8.084 0.04 1 94 27 27 LEU HA H 4.477 0.04 1 95 27 27 LEU HB2 H 2.569 0.04 2 96 27 27 LEU HB3 H 1.713 0.04 2 97 27 27 LEU HG H 2.018 0.04 1 98 27 27 LEU HD1 H 0.817 0.04 1 99 27 27 LEU HD2 H 0.803 0.04 1 100 27 27 LEU C C 178.746 0.2 1 101 27 27 LEU CA C 58.107 0.2 1 102 27 27 LEU CB C 41.595 0.2 1 103 27 27 LEU CG C 27.480 0.2 1 104 27 27 LEU CD1 C 26.920 0.2 1 105 27 27 LEU CD2 C 24.530 0.2 1 106 27 27 LEU N N 120.400 0.2 1 107 28 28 ARG H H 8.886 0.04 1 108 28 28 ARG HA H 3.719 0.04 1 109 28 28 ARG HB2 H 1.843 0.04 2 110 28 28 ARG HB3 H 1.768 0.04 2 111 28 28 ARG C C 178.664 0.2 1 112 28 28 ARG CA C 59.920 0.2 1 113 28 28 ARG CB C 29.953 0.2 1 114 28 28 ARG N N 121.879 0.2 1 115 29 29 GLU H H 8.128 0.04 1 116 29 29 GLU HA H 4.066 0.04 1 117 29 29 GLU HB2 H 2.204 0.04 2 118 29 29 GLU C C 179.041 0.2 1 119 29 29 GLU CA C 59.364 0.2 1 120 29 29 GLU CB C 29.648 0.2 1 121 29 29 GLU N N 118.934 0.2 1 122 30 30 ALA H H 7.766 0.04 1 123 30 30 ALA HA H 4.351 0.04 1 124 30 30 ALA HB H 1.774 0.04 1 125 30 30 ALA C C 178.784 0.2 1 126 30 30 ALA CA C 55.407 0.2 1 127 30 30 ALA CB C 18.774 0.2 1 128 30 30 ALA N N 122.423 0.2 1 129 31 31 PHE H H 8.570 0.04 1 130 31 31 PHE HA H 3.648 0.04 1 131 31 31 PHE HB2 H 3.244 0.04 2 132 31 31 PHE HB3 H 2.954 0.04 2 133 31 31 PHE HD1 H 6.551 0.04 3 134 31 31 PHE HD2 H 6.551 0.04 3 135 31 31 PHE HE1 H 6.938 0.04 3 136 31 31 PHE HE2 H 6.938 0.04 3 137 31 31 PHE HZ H 7.412 0.04 1 138 31 31 PHE C C 177.519 0.2 1 139 31 31 PHE CA C 62.131 0.2 1 140 31 31 PHE CB C 40.423 0.2 1 141 31 31 PHE N N 118.696 0.2 1 142 32 32 ARG H H 8.459 0.04 1 143 32 32 ARG HA H 3.976 0.04 1 144 32 32 ARG C C 179.020 0.2 1 145 32 32 ARG CA C 59.393 0.2 1 146 32 32 ARG CB C 30.406 0.2 1 147 32 32 ARG N N 115.937 0.2 1 148 33 33 GLU H H 7.566 0.04 1 149 33 33 GLU HA H 3.891 0.04 1 150 33 33 GLU HB2 H 2.081 0.04 2 151 33 33 GLU C C 177.197 0.2 1 152 33 33 GLU CA C 58.589 0.2 1 153 33 33 GLU CB C 29.058 0.2 1 154 33 33 GLU N N 118.273 0.2 1 155 34 34 PHE H H 7.326 0.04 1 156 34 34 PHE HA H 4.262 0.04 1 157 34 34 PHE HB2 H 2.607 0.04 2 158 34 34 PHE HB3 H 3.042 0.04 2 159 34 34 PHE HD1 H 7.534 0.04 3 160 34 34 PHE HD2 H 7.534 0.04 3 161 34 34 PHE HE1 H 7.438 0.04 3 162 34 34 PHE HE2 H 7.438 0.04 3 163 34 34 PHE HZ H 7.240 0.04 1 164 34 34 PHE C C 175.852 0.2 1 165 34 34 PHE CA C 59.722 0.2 1 166 34 34 PHE CB C 39.757 0.2 1 167 34 34 PHE N N 114.060 0.2 1 168 35 35 ASP H H 7.768 0.04 1 169 35 35 ASP HA H 5.067 0.04 1 170 35 35 ASP HB2 H 2.643 0.04 2 171 35 35 ASP HB3 H 1.822 0.04 2 172 35 35 ASP C C 178.458 0.2 1 173 35 35 ASP CA C 52.535 0.2 1 174 35 35 ASP CB C 38.991 0.2 1 175 35 35 ASP N N 122.494 0.2 1 176 36 36 LYS H H 7.837 0.04 1 177 36 36 LYS HA H 3.984 0.04 1 178 36 36 LYS HB2 H 1.891 0.04 2 179 36 36 LYS C C 177.340 0.2 1 180 36 36 LYS CA C 59.397 0.2 1 181 36 36 LYS CB C 32.345 0.2 1 182 36 36 LYS N N 122.532 0.2 1 183 37 37 ASP H H 8.260 0.04 1 184 37 37 ASP HA H 4.539 0.04 1 185 37 37 ASP HB2 H 2.615 0.04 2 186 37 37 ASP HB3 H 2.991 0.04 2 187 37 37 ASP C C 175.369 0.2 1 188 37 37 ASP CA C 52.845 0.2 1 189 37 37 ASP CB C 39.172 0.2 1 190 37 37 ASP N N 113.541 0.2 1 191 38 38 LYS H H 7.588 0.04 1 192 38 38 LYS HA H 3.946 0.04 1 193 38 38 LYS C C 175.784 0.2 1 194 38 38 LYS CA C 57.538 0.2 1 195 38 38 LYS CB C 29.258 0.2 1 196 38 38 LYS N N 114.730 0.2 1 197 39 39 ASP H H 8.301 0.04 1 198 39 39 ASP HA H 4.756 0.04 1 199 39 39 ASP HB2 H 2.634 0.04 2 200 39 39 ASP HB3 H 3.198 0.04 2 201 39 39 ASP C C 177.146 0.2 1 202 39 39 ASP CA C 53.432 0.2 1 203 39 39 ASP CB C 41.107 0.2 1 204 39 39 ASP N N 118.583 0.2 1 205 40 40 GLY H H 10.140 0.04 1 206 40 40 GLY HA2 H 4.120 0.04 2 207 40 40 GLY HA3 H 3.545 0.04 2 208 40 40 GLY C C 173.383 0.2 1 209 40 40 GLY CA C 45.033 0.2 1 210 40 40 GLY N N 111.561 0.2 1 211 41 41 TYR H H 7.989 0.04 1 212 41 41 TYR HA H 5.640 0.04 1 213 41 41 TYR HB2 H 2.662 0.04 2 214 41 41 TYR HB3 H 2.833 0.04 2 215 41 41 TYR HD1 H 6.690 0.04 3 216 41 41 TYR HD2 H 6.690 0.04 3 217 41 41 TYR HE1 H 6.819 0.04 3 218 41 41 TYR HE2 H 6.819 0.04 3 219 41 41 TYR C C 176.661 0.2 1 220 41 41 TYR CA C 56.740 0.2 1 221 41 41 TYR CB C 42.766 0.2 1 222 41 41 TYR N N 115.987 0.2 1 223 42 42 ILE H H 9.347 0.04 1 224 42 42 ILE HA H 4.859 0.04 1 225 42 42 ILE HB H 1.941 0.04 1 226 42 42 ILE HG12 H 1.209 0.04 2 227 42 42 ILE HG13 H 0.932 0.04 2 228 42 42 ILE HG2 H 0.298 0.04 1 229 42 42 ILE HD1 H 0.335 0.04 1 230 42 42 ILE C C 174.798 0.2 1 231 42 42 ILE CA C 60.017 0.2 1 232 42 42 ILE CB C 40.728 0.2 1 233 42 42 ILE CG1 C 25.560 0.2 1 234 42 42 ILE CG2 C 16.300 0.2 1 235 42 42 ILE CD1 C 13.870 0.2 1 236 42 42 ILE N N 118.700 0.2 1 237 43 43 ASN H H 8.852 0.04 1 238 43 43 ASN HA H 5.073 0.04 1 239 43 43 ASN HB2 H 3.058 0.04 2 240 43 43 ASN HB3 H 3.092 0.04 2 241 43 43 ASN C C 176.122 0.2 1 242 43 43 ASN CA C 52.189 0.2 1 243 43 43 ASN CB C 39.963 0.2 1 244 43 43 ASN N N 120.700 0.2 1 245 44 44 CYS H H 8.519 0.04 1 246 44 44 CYS HA H 3.946 0.04 1 247 44 44 CYS HB2 H 3.020 0.04 2 248 44 44 CYS HB3 H 2.878 0.04 2 249 44 44 CYS CA C 62.439 0.2 1 250 44 44 CYS CB C 26.680 0.2 1 251 44 44 CYS N N 118.771 0.2 1 252 45 45 ARG C C 178.109 0.2 1 253 45 45 ARG CA C 58.780 0.2 1 254 45 45 ARG CB C 29.450 0.2 1 255 46 46 ASP H H 8.165 0.04 1 256 46 46 ASP HA H 4.700 0.04 1 257 46 46 ASP HB2 H 2.736 0.04 2 258 46 46 ASP HB3 H 2.860 0.04 2 259 46 46 ASP CA C 56.116 0.2 1 260 46 46 ASP CB C 41.874 0.2 1 261 46 46 ASP N N 118.981 0.2 1 262 47 47 LEU H H 7.946 0.04 1 263 47 47 LEU HA H 3.786 0.04 1 264 47 47 LEU HB2 H 1.909 0.04 2 265 47 47 LEU HB3 H 1.626 0.04 2 266 47 47 LEU HG H 1.735 0.04 1 267 47 47 LEU HD1 H 1.051 0.04 1 268 47 47 LEU HD2 H 0.946 0.04 1 269 47 47 LEU C C 178.476 0.2 1 270 47 47 LEU CA C 59.027 0.2 1 271 47 47 LEU CB C 41.908 0.2 1 272 47 47 LEU CG C 27.130 0.2 1 273 47 47 LEU CD1 C 24.950 0.2 1 274 47 47 LEU CD2 C 26.050 0.2 1 275 47 47 LEU N N 120.831 0.2 1 276 48 48 GLY H H 8.425 0.04 1 277 48 48 GLY HA2 H 3.896 0.04 2 278 48 48 GLY HA3 H 3.685 0.04 2 279 48 48 GLY C C 175.488 0.2 1 280 48 48 GLY CA C 47.923 0.2 1 281 48 48 GLY N N 106.142 0.2 1 282 49 49 ASN H H 7.851 0.04 1 283 49 49 ASN HA H 4.497 0.04 1 284 49 49 ASN HB2 H 2.703 0.04 2 285 49 49 ASN C C 177.492 0.2 1 286 49 49 ASN CA C 55.812 0.2 1 287 49 49 ASN CB C 37.888 0.2 1 288 49 49 ASN N N 119.524 0.2 1 289 50 50 CYS H H 8.186 0.04 1 290 50 50 CYS HA H 3.529 0.04 1 291 50 50 CYS HB2 H 2.661 0.04 2 292 50 50 CYS HB3 H 2.215 0.04 2 293 50 50 CYS C C 176.805 0.2 1 294 50 50 CYS CA C 63.013 0.2 1 295 50 50 CYS CB C 26.453 0.2 1 296 50 50 CYS N N 122.947 0.2 1 297 51 51 MET H H 8.436 0.04 1 298 51 51 MET HA H 3.988 0.04 1 299 51 51 MET HB2 H 2.360 0.04 2 300 51 51 MET HB3 H 2.581 0.04 2 301 51 51 MET C C 178.111 0.2 1 302 51 51 MET CA C 60.917 0.2 1 303 51 51 MET CB C 33.146 0.2 1 304 51 51 MET N N 117.780 0.2 1 305 52 52 ARG H H 7.961 0.04 1 306 52 52 ARG HA H 4.444 0.04 1 307 52 52 ARG HB2 H 2.002 0.04 2 308 52 52 ARG C C 181.061 0.2 1 309 52 52 ARG CA C 59.549 0.2 1 310 52 52 ARG CB C 30.289 0.2 1 311 52 52 ARG N N 117.844 0.2 1 312 53 53 THR H H 8.118 0.04 1 313 53 53 THR HA H 4.195 0.04 1 314 53 53 THR HB H 4.585 0.04 1 315 53 53 THR HG2 H 1.590 0.04 1 316 53 53 THR C C 175.566 0.2 1 317 53 53 THR CA C 66.342 0.2 1 318 53 53 THR CB C 69.113 0.2 1 319 53 53 THR CG2 C 21.780 0.2 1 320 53 53 THR N N 116.830 0.2 1 321 54 54 MET H H 7.599 0.04 1 322 54 54 MET HA H 4.630 0.04 1 323 54 54 MET HB2 H 2.435 0.04 2 324 54 54 MET HB3 H 2.304 0.04 2 325 54 54 MET C C 175.777 0.2 1 326 54 54 MET CA C 55.894 0.2 1 327 54 54 MET CB C 33.038 0.2 1 328 54 54 MET N N 118.060 0.2 1 329 55 55 GLY H H 7.776 0.04 1 330 55 55 GLY HA2 H 4.286 0.04 2 331 55 55 GLY HA3 H 3.682 0.04 2 332 55 55 GLY C C 173.298 0.2 1 333 55 55 GLY CA C 45.239 0.2 1 334 55 55 GLY N N 105.740 0.2 1 335 56 56 TYR H H 7.854 0.04 1 336 56 56 TYR HA H 4.556 0.04 1 337 56 56 TYR HB2 H 2.605 0.04 2 338 56 56 TYR HB3 H 2.808 0.04 2 339 56 56 TYR CA C 57.243 0.2 1 340 56 56 TYR CB C 39.752 0.2 1 341 56 56 TYR N N 122.043 0.2 1 342 58 58 PRO HA H 4.732 0.04 1 343 58 58 PRO HB2 H 2.204 0.04 2 344 58 58 PRO HB3 H 1.999 0.04 2 345 58 58 PRO C C 177.733 0.2 1 346 58 58 PRO CA C 61.950 0.2 1 347 58 58 PRO CB C 31.980 0.2 1 348 59 59 THR H H 8.636 0.04 1 349 59 59 THR HA H 4.500 0.04 1 350 59 59 THR HB H 4.734 0.04 1 351 59 59 THR HG2 H 1.402 0.04 1 352 59 59 THR C C 175.209 0.2 1 353 59 59 THR CA C 60.747 0.2 1 354 59 59 THR CB C 70.849 0.2 1 355 59 59 THR CG2 C 21.940 0.2 1 356 59 59 THR N N 112.866 0.2 1 357 60 60 GLU H H 8.839 0.04 1 358 60 60 GLU HA H 4.052 0.04 1 359 60 60 GLU HB2 H 2.331 0.04 2 360 60 60 GLU HB3 H 2.097 0.04 2 361 60 60 GLU C C 179.393 0.2 1 362 60 60 GLU CA C 60.166 0.2 1 363 60 60 GLU CB C 29.382 0.2 1 364 60 60 GLU N N 121.022 0.2 1 365 61 61 MET H H 8.363 0.04 1 366 61 61 MET HA H 4.296 0.04 1 367 61 61 MET HB2 H 2.076 0.04 2 368 61 61 MET C C 178.435 0.2 1 369 61 61 MET CA C 58.262 0.2 1 370 61 61 MET CB C 31.967 0.2 1 371 61 61 MET N N 116.428 0.2 1 372 62 62 GLU H H 7.849 0.04 1 373 62 62 GLU HA H 4.129 0.04 1 374 62 62 GLU HB2 H 2.332 0.04 2 375 62 62 GLU HB3 H 2.084 0.04 2 376 62 62 GLU C C 179.314 0.2 1 377 62 62 GLU CA C 59.167 0.2 1 378 62 62 GLU CB C 30.260 0.2 1 379 62 62 GLU N N 120.855 0.2 1 380 63 63 LEU H H 7.946 0.04 1 381 63 63 LEU HA H 4.140 0.04 1 382 63 63 LEU HB2 H 1.899 0.04 2 383 63 63 LEU HB3 H 1.647 0.04 2 384 63 63 LEU HD1 H 0.902 0.04 1 385 63 63 LEU HD2 H 0.864 0.04 1 386 63 63 LEU C C 180.109 0.2 1 387 63 63 LEU CA C 57.760 0.2 1 388 63 63 LEU CB C 41.335 0.2 1 389 63 63 LEU CD1 C 24.920 0.2 1 390 63 63 LEU CD2 C 22.910 0.2 1 391 63 63 LEU N N 119.060 0.2 1 392 64 64 ILE H H 8.188 0.04 1 393 64 64 ILE HA H 3.769 0.04 1 394 64 64 ILE HB H 2.058 0.04 1 395 64 64 ILE HG12 H 1.820 0.04 2 396 64 64 ILE HG13 H 1.183 0.04 2 397 64 64 ILE HG2 H 0.937 0.04 1 398 64 64 ILE HD1 H 0.909 0.04 1 399 64 64 ILE C C 178.748 0.2 1 400 64 64 ILE CA C 65.336 0.2 1 401 64 64 ILE CB C 37.936 0.2 1 402 64 64 ILE CG2 C 17.090 0.2 1 403 64 64 ILE CD1 C 13.250 0.2 1 404 64 64 ILE N N 123.431 0.2 1 405 65 65 GLU H H 8.002 0.04 1 406 65 65 GLU HA H 4.086 0.04 1 407 65 65 GLU HB2 H 2.218 0.04 2 408 65 65 GLU C C 179.579 0.2 1 409 65 65 GLU CA C 59.758 0.2 1 410 65 65 GLU CB C 29.627 0.2 1 411 65 65 GLU N N 121.012 0.2 1 412 66 66 LEU H H 8.381 0.04 1 413 66 66 LEU HA H 4.182 0.04 1 414 66 66 LEU HB2 H 1.878 0.04 2 415 66 66 LEU HB3 H 1.559 0.04 2 416 66 66 LEU C C 178.783 0.2 1 417 66 66 LEU CA C 57.985 0.2 1 418 66 66 LEU CB C 42.436 0.2 1 419 66 66 LEU N N 120.046 0.2 1 420 67 67 SER H H 8.257 0.04 1 421 67 67 SER HA H 4.245 0.04 1 422 67 67 SER HB2 H 3.937 0.04 2 423 67 67 SER HB3 H 3.937 0.04 2 424 67 67 SER C C 176.098 0.2 1 425 67 67 SER CA C 61.880 0.2 1 426 67 67 SER CB C 62.959 0.2 1 427 67 67 SER N N 114.185 0.2 1 428 68 68 GLN H H 7.942 0.04 1 429 68 68 GLN HA H 4.198 0.04 1 430 68 68 GLN HB2 H 2.256 0.04 2 431 68 68 GLN C C 178.260 0.2 1 432 68 68 GLN CA C 59.027 0.2 1 433 68 68 GLN CB C 28.269 0.2 1 434 68 68 GLN N N 120.772 0.2 1 435 69 69 GLN H H 7.849 0.04 1 436 69 69 GLN HA H 4.131 0.04 1 437 69 69 GLN HB2 H 2.272 0.04 2 438 69 69 GLN C C 178.706 0.2 1 439 69 69 GLN CA C 59.081 0.2 1 440 69 69 GLN CB C 28.577 0.2 1 441 69 69 GLN N N 118.945 0.2 1 442 70 70 ILE H H 8.537 0.04 1 443 70 70 ILE HA H 3.752 0.04 1 444 70 70 ILE HB H 1.914 0.04 1 445 70 70 ILE HG12 H 1.782 0.04 2 446 70 70 ILE HG13 H 1.050 0.04 2 447 70 70 ILE HG2 H 0.732 0.04 1 448 70 70 ILE HD1 H 0.780 0.04 1 449 70 70 ILE C C 179.185 0.2 1 450 70 70 ILE CA C 64.358 0.2 1 451 70 70 ILE CB C 38.049 0.2 1 452 70 70 ILE CG2 C 17.780 0.2 1 453 70 70 ILE CD1 C 14.810 0.2 1 454 70 70 ILE N N 119.589 0.2 1 455 71 71 ASN H H 8.609 0.04 1 456 71 71 ASN HA H 4.361 0.04 1 457 71 71 ASN HB2 H 2.773 0.04 2 458 71 71 ASN HB3 H 2.955 0.04 2 459 71 71 ASN C C 176.871 0.2 1 460 71 71 ASN CA C 56.098 0.2 1 461 71 71 ASN CB C 37.980 0.2 1 462 71 71 ASN N N 119.932 0.2 1 463 72 72 MET H H 8.203 0.04 1 464 72 72 MET HA H 4.414 0.04 1 465 72 72 MET HB2 H 2.151 0.04 2 466 72 72 MET HB3 H 2.089 0.04 2 467 72 72 MET C C 177.643 0.2 1 468 72 72 MET CA C 57.838 0.2 1 469 72 72 MET CB C 33.106 0.2 1 470 72 72 MET N N 117.207 0.2 1 471 73 73 ASN H H 8.224 0.04 1 472 73 73 ASN HA H 4.996 0.04 1 473 73 73 ASN HB2 H 2.908 0.04 2 474 73 73 ASN C C 176.247 0.2 1 475 73 73 ASN CA C 54.514 0.2 1 476 73 73 ASN CB C 40.081 0.2 1 477 73 73 ASN N N 114.487 0.2 1 478 74 74 LEU H H 7.619 0.04 1 479 74 74 LEU HA H 4.852 0.04 1 480 74 74 LEU HB2 H 2.411 0.04 2 481 74 74 LEU HB3 H 2.028 0.04 2 482 74 74 LEU HG H 1.635 0.04 1 483 74 74 LEU HD1 H 1.018 0.04 1 484 74 74 LEU HD2 H 1.008 0.04 1 485 74 74 LEU C C 177.946 0.2 1 486 74 74 LEU CA C 54.640 0.2 1 487 74 74 LEU CB C 42.995 0.2 1 488 74 74 LEU CG C 27.260 0.2 1 489 74 74 LEU CD1 C 25.780 0.2 1 490 74 74 LEU CD2 C 23.080 0.2 1 491 74 74 LEU N N 118.929 0.2 1 492 75 75 GLY H H 7.923 0.04 1 493 75 75 GLY HA2 H 4.044 0.04 2 494 75 75 GLY HA3 H 4.044 0.04 2 495 75 75 GLY C C 175.578 0.2 1 496 75 75 GLY CA C 46.576 0.2 1 497 75 75 GLY N N 107.269 0.2 1 498 76 76 GLY H H 8.121 0.04 1 499 76 76 GLY HA2 H 4.232 0.04 2 500 76 76 GLY HA3 H 3.734 0.04 2 501 76 76 GLY C C 172.881 0.2 1 502 76 76 GLY CA C 45.740 0.2 1 503 76 76 GLY N N 104.615 0.2 1 504 77 77 HIS H H 7.496 0.04 1 505 77 77 HIS HA H 5.204 0.04 1 506 77 77 HIS HB2 H 2.936 0.04 2 507 77 77 HIS HB3 H 3.159 0.04 2 508 77 77 HIS C C 172.514 0.2 1 509 77 77 HIS CA C 53.910 0.2 1 510 77 77 HIS CB C 32.248 0.2 1 511 77 77 HIS N N 117.092 0.2 1 512 78 78 VAL H H 8.889 0.04 1 513 78 78 VAL HA H 5.036 0.04 1 514 78 78 VAL HB H 2.438 0.04 1 515 78 78 VAL HG1 H 1.157 0.04 1 516 78 78 VAL HG2 H 1.032 0.04 1 517 78 78 VAL C C 175.349 0.2 1 518 78 78 VAL CA C 60.494 0.2 1 519 78 78 VAL CB C 34.753 0.2 1 520 78 78 VAL CG1 C 22.75 0.2 1 521 78 78 VAL CG2 C 21.07 0.2 1 522 78 78 VAL N N 115.571 0.2 1 523 79 79 ASP H H 9.188 0.04 1 524 79 79 ASP HA H 5.506 0.04 1 525 79 79 ASP HB2 H 2.508 0.04 2 526 79 79 ASP HB3 H 3.006 0.04 2 527 79 79 ASP C C 176.400 0.2 1 528 79 79 ASP CA C 51.767 0.2 1 529 79 79 ASP CB C 41.112 0.2 1 530 79 79 ASP N N 126.427 0.2 1 531 80 80 PHE H H 8.472 0.04 1 532 80 80 PHE HA H 3.350 0.04 1 533 80 80 PHE HB2 H 2.486 0.04 2 534 80 80 PHE HB3 H 2.131 0.04 2 535 80 80 PHE HD1 H 6.693 0.04 3 536 80 80 PHE HD2 H 6.693 0.04 3 537 80 80 PHE HE1 H 7.063 0.04 3 538 80 80 PHE HE2 H 7.063 0.04 3 539 80 80 PHE HZ H 7.217 0.04 1 540 80 80 PHE C C 176.411 0.2 1 541 80 80 PHE CA C 62.142 0.2 1 542 80 80 PHE CB C 38.557 0.2 1 543 80 80 PHE N N 118.573 0.2 1 544 81 81 ASP H H 7.697 0.04 1 545 81 81 ASP HA H 4.048 0.04 1 546 81 81 ASP HB2 H 2.593 0.04 2 547 81 81 ASP HB3 H 2.740 0.04 2 548 81 81 ASP C C 179.520 0.2 1 549 81 81 ASP CA C 57.661 0.2 1 550 81 81 ASP CB C 40.051 0.2 1 551 81 81 ASP N N 117.736 0.2 1 552 82 82 ASP H H 8.552 0.04 1 553 82 82 ASP HA H 4.382 0.04 1 554 82 82 ASP HB2 H 2.977 0.04 2 555 82 82 ASP HB3 H 2.593 0.04 2 556 82 82 ASP C C 178.307 0.2 1 557 82 82 ASP CA C 57.299 0.2 1 558 82 82 ASP CB C 41.123 0.2 1 559 82 82 ASP N N 121.901 0.2 1 560 83 83 PHE H H 8.555 0.04 1 561 83 83 PHE HA H 4.104 0.04 1 562 83 83 PHE HB2 H 3.406 0.04 2 563 83 83 PHE HB3 H 3.192 0.04 2 564 83 83 PHE HD1 H 7.090 0.04 3 565 83 83 PHE HD2 H 7.090 0.04 3 566 83 83 PHE HE1 H 7.473 0.04 3 567 83 83 PHE HE2 H 7.473 0.04 3 568 83 83 PHE HZ H 7.290 0.04 1 569 83 83 PHE C C 176.688 0.2 1 570 83 83 PHE CA C 61.154 0.2 1 571 83 83 PHE CB C 39.758 0.2 1 572 83 83 PHE N N 122.051 0.2 1 573 84 84 VAL H H 8.255 0.04 1 574 84 84 VAL HA H 2.986 0.04 1 575 84 84 VAL HB H 1.812 0.04 1 576 84 84 VAL HG1 H 0.684 0.04 1 577 84 84 VAL HG2 H 0.334 0.04 1 578 84 84 VAL C C 178.681 0.2 1 579 84 84 VAL CA C 67.086 0.2 1 580 84 84 VAL CB C 31.555 0.2 1 581 84 84 VAL CG1 C 21.390 0.2 1 582 84 84 VAL CG2 C 24.060 0.2 1 583 84 84 VAL N N 119.936 0.2 1 584 85 85 GLU H H 7.579 0.04 1 585 85 85 GLU HA H 3.952 0.04 1 586 85 85 GLU HB2 H 2.140 0.04 2 587 85 85 GLU C C 178.419 0.2 1 588 85 85 GLU CA C 59.161 0.2 1 589 85 85 GLU CB C 29.486 0.2 1 590 85 85 GLU N N 120.098 0.2 1 591 86 86 LEU H H 7.823 0.04 1 592 86 86 LEU HA H 4.142 0.04 1 593 86 86 LEU HB2 H 1.743 0.04 2 594 86 86 LEU HB3 H 1.389 0.04 2 595 86 86 LEU HG H 1.818 0.04 1 596 86 86 LEU HD1 H 0.816 0.04 1 597 86 86 LEU HD2 H 0.852 0.04 1 598 86 86 LEU C C 178.465 0.2 1 599 86 86 LEU CA C 56.959 0.2 1 600 86 86 LEU CB C 43.038 0.2 1 601 86 86 LEU CG C 26.780 0.2 1 602 86 86 LEU CD1 C 25.670 0.2 1 603 86 86 LEU CD2 C 24.200 0.2 1 604 86 86 LEU N N 117.340 0.2 1 605 87 87 MET H H 8.196 0.04 1 606 87 87 MET HA H 4.348 0.04 1 607 87 87 MET HB2 H 1.524 0.04 2 608 87 87 MET HB3 H 1.447 0.04 2 609 87 87 MET C C 178.592 0.2 1 610 87 87 MET CA C 54.447 0.2 1 611 87 87 MET CB C 32.065 0.2 1 612 87 87 MET N N 114.402 0.2 1 613 88 88 GLY H H 8.296 0.04 1 614 88 88 GLY HA2 H 4.195 0.04 2 615 88 88 GLY HA3 H 3.616 0.04 2 616 88 88 GLY CA C 49.091 0.2 1 617 88 88 GLY N N 108.218 0.2 1 618 89 89 PRO HA H 4.209 0.04 1 619 89 89 PRO HB2 H 2.421 0.04 2 620 89 89 PRO HB3 H 1.842 0.04 2 621 89 89 PRO C C 178.721 0.2 1 622 89 89 PRO CA C 65.110 0.2 1 623 89 89 PRO CB C 32.220 0.2 1 624 90 90 LYS H H 7.043 0.04 1 625 90 90 LYS HA H 4.029 0.04 1 626 90 90 LYS C C 178.018 0.2 1 627 90 90 LYS CA C 57.619 0.2 1 628 90 90 LYS CB C 31.758 0.2 1 629 90 90 LYS N N 114.717 0.2 1 630 91 91 LEU H H 7.687 0.04 1 631 91 91 LEU HA H 4.121 0.04 1 632 91 91 LEU HB2 H 1.611 0.04 2 633 91 91 LEU C C 179.155 0.2 1 634 91 91 LEU CA C 57.228 0.2 1 635 91 91 LEU CB C 41.790 0.2 1 636 91 91 LEU N N 119.101 0.2 1 637 92 92 LEU H H 7.837 0.04 1 638 92 92 LEU HA H 4.199 0.04 1 639 92 92 LEU HB2 H 1.652 0.04 2 640 92 92 LEU HB3 H 1.510 0.04 2 641 92 92 LEU HG H 1.668 0.04 1 642 92 92 LEU HD1 H 0.754 0.04 1 643 92 92 LEU HD2 H 0.748 0.04 1 644 92 92 LEU C C 177.405 0.2 1 645 92 92 LEU CA C 55.906 0.2 1 646 92 92 LEU CB C 41.937 0.2 1 647 92 92 LEU CD1 C 25.270 0.2 1 648 92 92 LEU CD2 C 22.990 0.2 1 649 92 92 LEU N N 117.988 0.2 1 650 93 93 ALA H H 7.429 0.04 1 651 93 93 ALA HA H 4.282 0.04 1 652 93 93 ALA HB H 1.515 0.04 1 653 93 93 ALA C C 177.400 0.2 1 654 93 93 ALA CA C 53.285 0.2 1 655 93 93 ALA CB C 19.251 0.2 1 656 93 93 ALA N N 121.849 0.2 1 657 94 94 GLU H H 8.127 0.04 1 658 94 94 GLU HA H 4.423 0.04 1 659 94 94 GLU HB2 H 2.162 0.04 2 660 94 94 GLU C C 176.900 0.2 1 661 94 94 GLU CA C 57.100 0.2 1 662 94 94 GLU CB C 30.150 0.2 1 663 94 94 GLU N N 118.932 0.2 1 664 95 95 THR H H 7.930 0.04 1 665 95 95 THR HA H 4.417 0.04 1 666 95 95 THR HB H 4.352 0.04 1 667 95 95 THR HG2 H 1.280 0.04 1 668 95 95 THR C C 174.663 0.2 1 669 95 95 THR CA C 61.848 0.2 1 670 95 95 THR CB C 70.110 0.2 1 671 95 95 THR CG2 C 21.830 0.2 1 672 95 95 THR N N 113.151 0.2 1 673 96 96 ALA H H 8.216 0.04 1 674 96 96 ALA HA H 4.305 0.04 1 675 96 96 ALA HB H 1.444 0.04 1 676 96 96 ALA C C 177.477 0.2 1 677 96 96 ALA CA C 53.206 0.2 1 678 96 96 ALA CB C 19.436 0.2 1 679 96 96 ALA N N 125.432 0.2 1 680 97 97 ASP H H 8.211 0.04 1 681 97 97 ASP C C 176.233 0.2 1 682 97 97 ASP CA C 54.743 0.2 1 683 97 97 ASP CB C 41.246 0.2 1 684 97 97 ASP N N 118.477 0.2 1 685 98 98 MET H H 8.106 0.04 1 686 98 98 MET HA H 4.495 0.04 1 687 98 98 MET HB2 H 2.099 0.04 2 688 98 98 MET C C 176.197 0.2 1 689 98 98 MET CA C 55.984 0.2 1 690 98 98 MET CB C 33.021 0.2 1 691 98 98 MET N N 119.877 0.2 1 692 99 99 ILE H H 8.045 0.04 1 693 99 99 ILE HA H 4.164 0.04 1 694 99 99 ILE HB H 1.912 0.04 1 695 99 99 ILE HG12 H 1.583 0.04 2 696 99 99 ILE HG13 H 1.264 0.04 2 697 99 99 ILE HG2 H 0.985 0.04 1 698 99 99 ILE HD1 H 0.878 0.04 1 699 99 99 ILE C C 175.982 0.2 1 700 99 99 ILE CA C 61.700 0.2 1 701 99 99 ILE CB C 38.572 0.2 1 702 99 99 ILE CG1 C 27.640 0.2 1 703 99 99 ILE CG2 C 17.800 0.2 1 704 99 99 ILE CD1 C 13.330 0.2 1 705 99 99 ILE N N 121.235 0.2 1 706 100 100 GLY H H 8.467 0.04 1 707 100 100 GLY HA2 H 4.262 0.04 2 708 100 100 GLY HA3 H 4.039 0.04 2 709 100 100 GLY C C 174.458 0.2 1 710 100 100 GLY CA C 45.249 0.2 1 711 100 100 GLY N N 112.837 0.2 1 712 101 101 VAL H H 8.180 0.04 1 713 101 101 VAL HA H 3.944 0.04 1 714 101 101 VAL HB H 2.209 0.04 1 715 101 101 VAL HG1 H 1.082 0.04 1 716 101 101 VAL HG2 H 1.151 0.04 1 717 101 101 VAL C C 177.290 0.2 1 718 101 101 VAL CA C 65.721 0.2 1 719 101 101 VAL CB C 32.001 0.2 1 720 101 101 VAL CG1 C 21.150 0.2 1 721 101 101 VAL CG2 C 22.030 0.2 1 722 101 101 VAL N N 119.763 0.2 1 723 102 102 LYS H H 8.371 0.04 1 724 102 102 LYS HA H 4.018 0.04 1 725 102 102 LYS HB2 H 1.902 0.04 2 726 102 102 LYS C C 178.292 0.2 1 727 102 102 LYS CA C 59.780 0.2 1 728 102 102 LYS CB C 32.459 0.2 1 729 102 102 LYS N N 121.994 0.2 1 730 103 103 GLU H H 8.311 0.04 1 731 103 103 GLU HA H 4.243 0.04 1 732 103 103 GLU HB2 H 2.354 0.04 2 733 103 103 GLU HB3 H 2.096 0.04 2 734 103 103 GLU C C 179.983 0.2 1 735 103 103 GLU CA C 59.947 0.2 1 736 103 103 GLU CB C 29.194 0.2 1 737 103 103 GLU N N 119.064 0.2 1 738 104 104 LEU H H 8.314 0.04 1 739 104 104 LEU HA H 4.340 0.04 1 740 104 104 LEU HB2 H 2.257 0.04 2 741 104 104 LEU HB3 H 1.685 0.04 2 742 104 104 LEU C C 179.074 0.2 1 743 104 104 LEU CA C 58.346 0.2 1 744 104 104 LEU CB C 42.350 0.2 1 745 104 104 LEU N N 121.269 0.2 1 746 105 105 ARG H H 8.702 0.04 1 747 105 105 ARG HA H 4.029 0.04 1 748 105 105 ARG HB2 H 2.706 0.04 2 749 105 105 ARG HB3 H 1.902 0.04 2 750 105 105 ARG C C 178.887 0.2 1 751 105 105 ARG CA C 59.688 0.2 1 752 105 105 ARG CB C 29.392 0.2 1 753 105 105 ARG N N 120.637 0.2 1 754 106 106 ASP H H 8.085 0.04 1 755 106 106 ASP HA H 4.444 0.04 1 756 106 106 ASP HB2 H 2.808 0.04 2 757 106 106 ASP HB3 H 2.736 0.04 2 758 106 106 ASP C C 178.650 0.2 1 759 106 106 ASP CA C 57.486 0.2 1 760 106 106 ASP CB C 40.150 0.2 1 761 106 106 ASP N N 120.040 0.2 1 762 107 107 ALA H H 7.962 0.04 1 763 107 107 ALA HA H 4.127 0.04 1 764 107 107 ALA HB H 1.669 0.04 1 765 107 107 ALA C C 178.387 0.2 1 766 107 107 ALA CA C 54.965 0.2 1 767 107 107 ALA CB C 18.229 0.2 1 768 107 107 ALA N N 122.925 0.2 1 769 108 108 PHE H H 8.392 0.04 1 770 108 108 PHE HA H 3.089 0.04 1 771 108 108 PHE HB2 H 3.174 0.04 2 772 108 108 PHE HB3 H 2.910 0.04 2 773 108 108 PHE HD1 H 6.595 0.04 3 774 108 108 PHE HD2 H 6.595 0.04 3 775 108 108 PHE HE1 H 7.060 0.04 3 776 108 108 PHE HE2 H 7.060 0.04 3 777 108 108 PHE HZ H 7.386 0.04 1 778 108 108 PHE C C 176.894 0.2 1 779 108 108 PHE CA C 61.300 0.2 1 780 108 108 PHE CB C 39.520 0.2 1 781 108 108 PHE N N 118.738 0.2 1 782 109 109 ARG H H 7.748 0.04 1 783 109 109 ARG HA H 3.984 0.04 1 784 109 109 ARG HB2 H 2.010 0.04 2 785 109 109 ARG C C 178.317 0.2 1 786 109 109 ARG CA C 58.870 0.2 1 787 109 109 ARG CB C 30.081 0.2 1 788 109 109 ARG N N 115.762 0.2 1 789 110 110 GLU H H 7.437 0.04 1 790 110 110 GLU HA H 3.964 0.04 1 791 110 110 GLU HB2 H 2.038 0.04 2 792 110 110 GLU C C 178.128 0.2 1 793 110 110 GLU CA C 58.373 0.2 1 794 110 110 GLU CB C 29.297 0.2 1 795 110 110 GLU N N 117.304 0.2 1 796 111 111 PHE H H 7.577 0.04 1 797 111 111 PHE HA H 4.518 0.04 1 798 111 111 PHE HB2 H 2.817 0.04 2 799 111 111 PHE C C 176.554 0.2 1 800 111 111 PHE CA C 58.031 0.2 1 801 111 111 PHE CB C 39.258 0.2 1 802 111 111 PHE N N 116.764 0.2 1 803 112 112 ASP H H 7.519 0.04 1 804 112 112 ASP HA H 4.565 0.04 1 805 112 112 ASP HB2 H 1.805 0.04 2 806 112 112 ASP HB3 H 2.655 0.04 2 807 112 112 ASP C C 176.980 0.2 1 808 112 112 ASP CA C 52.316 0.2 1 809 112 112 ASP CB C 39.066 0.2 1 810 112 112 ASP N N 118.644 0.2 1 811 113 113 THR H H 7.909 0.04 1 812 113 113 THR HA H 4.016 0.04 1 813 113 113 THR HB H 4.246 0.04 1 814 113 113 THR HG2 H 1.321 0.04 1 815 113 113 THR C C 176.393 0.2 1 816 113 113 THR CA C 65.145 0.2 1 817 113 113 THR CB C 68.837 0.2 1 818 113 113 THR CG2 C 22.560 0.2 1 819 113 113 THR N N 118.287 0.2 1 820 114 114 ASN H H 8.077 0.04 1 821 114 114 ASN HA H 4.873 0.04 1 822 114 114 ASN HB2 H 3.336 0.04 2 823 114 114 ASN HB3 H 2.916 0.04 2 824 114 114 ASN C C 176.650 0.2 1 825 114 114 ASN CA C 51.994 0.2 1 826 114 114 ASN CB C 37.379 0.2 1 827 114 114 ASN N N 115.932 0.2 1 828 115 115 GLY H H 7.699 0.04 1 829 115 115 GLY HA2 H 3.865 0.04 2 830 115 115 GLY HA3 H 3.865 0.04 2 831 115 115 GLY C C 174.800 0.2 1 832 115 115 GLY CA C 47.476 0.2 1 833 115 115 GLY N N 109.332 0.2 1 834 116 116 ASP H H 8.023 0.04 1 835 116 116 ASP HA H 4.571 0.04 1 836 116 116 ASP HB2 H 2.471 0.04 2 837 116 116 ASP HB3 H 3.164 0.04 2 838 116 116 ASP C C 177.569 0.2 1 839 116 116 ASP CA C 53.370 0.2 1 840 116 116 ASP CB C 40.430 0.2 1 841 116 116 ASP N N 118.900 0.2 1 842 117 117 GLY H H 10.370 0.04 1 843 117 117 GLY HA2 H 4.327 0.04 2 844 117 117 GLY HA3 H 3.648 0.04 2 845 117 117 GLY C C 173.200 0.2 1 846 117 117 GLY CA C 45.638 0.2 1 847 117 117 GLY N N 112.570 0.2 1 848 118 118 GLU H H 7.912 0.04 1 849 118 118 GLU HA H 4.920 0.04 1 850 118 118 GLU HB2 H 1.792 0.04 2 851 118 118 GLU HB3 H 1.873 0.04 2 852 118 118 GLU C C 174.368 0.2 1 853 118 118 GLU CA C 54.009 0.2 1 854 118 118 GLU CB C 33.717 0.2 1 855 118 118 GLU N N 117.446 0.2 1 856 119 119 ILE H H 9.396 0.04 1 857 119 119 ILE HA H 4.955 0.04 1 858 119 119 ILE HB H 2.060 0.04 1 859 119 119 ILE HG12 H 0.933 0.04 2 860 119 119 ILE HG13 H 0.439 0.04 2 861 119 119 ILE HG2 H 0.932 0.04 1 862 119 119 ILE HD1 H 0.311 0.04 1 863 119 119 ILE C C 175.569 0.2 1 864 119 119 ILE CA C 59.779 0.2 1 865 119 119 ILE CB C 37.986 0.2 1 866 119 119 ILE CG2 C 18.660 0.2 1 867 119 119 ILE CD1 C 14.520 0.2 1 868 119 119 ILE N N 126.916 0.2 1 869 120 120 SER H H 9.274 0.04 1 870 120 120 SER HA H 4.880 0.04 1 871 120 120 SER HB2 H 4.499 0.04 2 872 120 120 SER HB3 H 4.063 0.04 2 873 120 120 SER C C 175.616 0.2 1 874 120 120 SER CA C 56.953 0.2 1 875 120 120 SER CB C 65.788 0.2 1 876 120 120 SER N N 124.347 0.2 1 877 121 121 THR H H 8.793 0.04 1 878 121 121 THR HA H 3.843 0.04 1 879 121 121 THR HB H 4.229 0.04 1 880 121 121 THR HG2 H 1.267 0.04 1 881 121 121 THR CA C 66.940 0.2 1 882 121 121 THR CB C 67.965 0.2 1 883 121 121 THR CG2 C 22.850 0.2 1 884 121 121 THR N N 114.110 0.2 1 885 122 122 SER HA H 4.242 0.04 1 886 122 122 SER HB2 H 3.936 0.04 2 887 122 122 SER HB3 H 3.936 0.04 2 888 122 122 SER C C 177.216 0.2 1 889 122 122 SER CA C 62.340 0.2 1 890 122 122 SER CB C 62.340 0.2 1 891 123 123 GLU H H 7.752 0.04 1 892 123 123 GLU HA H 4.231 0.04 1 893 123 123 GLU HB2 H 2.445 0.04 2 894 123 123 GLU HB3 H 2.344 0.04 2 895 123 123 GLU C C 180.458 0.2 1 896 123 123 GLU CA C 58.708 0.2 1 897 123 123 GLU CB C 29.512 0.2 1 898 123 123 GLU N N 123.363 0.2 1 899 124 124 LEU H H 8.815 0.04 1 900 124 124 LEU HA H 3.988 0.04 1 901 124 124 LEU HB2 H 2.006 0.04 2 902 124 124 LEU HB3 H 1.526 0.04 2 903 124 124 LEU HG H 1.658 0.04 1 904 124 124 LEU HD1 H 0.981 0.04 1 905 124 124 LEU HD2 H 0.968 0.04 1 906 124 124 LEU C C 177.807 0.2 1 907 124 124 LEU CA C 57.972 0.2 1 908 124 124 LEU CB C 41.353 0.2 1 909 124 124 LEU CD1 C 23.280 0.2 1 910 124 124 LEU CD2 C 26.620 0.2 1 911 124 124 LEU N N 122.468 0.2 1 912 125 125 ARG H H 8.340 0.04 1 913 125 125 ARG HA H 3.696 0.04 1 914 125 125 ARG HB2 H 2.061 0.04 2 915 125 125 ARG HB3 H 1.949 0.04 2 916 125 125 ARG C C 178.343 0.2 1 917 125 125 ARG CA C 60.485 0.2 1 918 125 125 ARG CB C 30.323 0.2 1 919 125 125 ARG N N 119.165 0.2 1 920 126 126 GLU H H 7.675 0.04 1 921 126 126 GLU HA H 4.179 0.04 1 922 126 126 GLU HB2 H 1.726 0.04 2 923 126 126 GLU HB3 H 1.635 0.04 2 924 126 126 GLU C C 178.776 0.2 1 925 126 126 GLU CA C 58.707 0.2 1 926 126 126 GLU CB C 29.607 0.2 1 927 126 126 GLU N N 117.125 0.2 1 928 127 127 ALA H H 7.900 0.04 1 929 127 127 ALA HA H 3.870 0.04 1 930 127 127 ALA HB H 0.797 0.04 1 931 127 127 ALA C C 180.006 0.2 1 932 127 127 ALA CA C 54.967 0.2 1 933 127 127 ALA CB C 17.785 0.2 1 934 127 127 ALA N N 121.671 0.2 1 935 128 128 MET H H 8.353 0.04 1 936 128 128 MET HA H 4.211 0.04 1 937 128 128 MET HB2 H 2.122 0.04 2 938 128 128 MET C C 178.160 0.2 1 939 128 128 MET CA C 57.670 0.2 1 940 128 128 MET CB C 31.930 0.2 1 941 128 128 MET N N 115.083 0.2 1 942 129 129 ARG H H 7.904 0.04 1 943 129 129 ARG HA H 3.747 0.04 1 944 129 129 ARG HB2 H 2.060 0.04 2 945 129 129 ARG CA C 59.320 0.2 1 946 129 129 ARG CB C 29.812 0.2 1 947 129 129 ARG N N 119.493 0.2 1 948 130 130 LYS HA H 4.073 0.04 1 949 130 130 LYS HB2 H 1.962 0.04 2 950 130 130 LYS C C 178.421 0.2 1 951 130 130 LYS CA C 59.130 0.2 1 952 130 130 LYS CB C 32.670 0.2 1 953 131 131 LEU H H 8.059 0.04 1 954 131 131 LEU HA H 4.246 0.04 1 955 131 131 LEU HB2 H 1.798 0.04 2 956 131 131 LEU HB3 H 1.543 0.04 2 957 131 131 LEU HD1 H 0.897 0.04 1 958 131 131 LEU HD2 H 0.965 0.04 1 959 131 131 LEU C C 178.363 0.2 1 960 131 131 LEU CA C 57.177 0.2 1 961 131 131 LEU CB C 43.352 0.2 1 962 131 131 LEU CD1 C 25.090 0.2 1 963 131 131 LEU CD2 C 23.730 0.2 1 964 131 131 LEU N N 118.200 0.2 1 965 132 132 LEU H H 8.292 0.04 1 966 132 132 LEU HA H 4.416 0.04 1 967 132 132 LEU HB2 H 1.744 0.04 2 968 132 132 LEU HB3 H 1.401 0.04 2 969 132 132 LEU HD1 H 0.811 0.04 1 970 132 132 LEU C C 178.404 0.2 1 971 132 132 LEU CA C 55.369 0.2 1 972 132 132 LEU CB C 42.900 0.2 1 973 132 132 LEU CD1 C 25.81 0.2 1 974 132 132 LEU N N 115.873 0.2 1 975 133 133 GLY H H 7.672 0.04 1 976 133 133 GLY HA2 H 4.162 0.04 2 977 133 133 GLY HA3 H 3.875 0.04 2 978 133 133 GLY CA C 46.107 0.2 1 979 133 133 GLY N N 107.097 0.2 1 980 135 135 GLN HA H 4.326 0.04 1 981 135 135 GLN HB2 H 2.096 0.04 2 982 135 135 GLN HB3 H 1.982 0.04 2 983 135 135 GLN C C 175.917 0.2 1 984 135 135 GLN CA C 56.390 0.2 1 985 135 135 GLN CB C 29.390 0.2 1 986 136 136 VAL H H 7.878 0.04 1 987 136 136 VAL HA H 4.250 0.04 1 988 136 136 VAL HB H 2.089 0.04 1 989 136 136 VAL HG1 H 0.967 0.04 1 990 136 136 VAL HG2 H 0.926 0.04 1 991 136 136 VAL C C 175.832 0.2 1 992 136 136 VAL CA C 61.833 0.2 1 993 136 136 VAL CB C 33.037 0.2 1 994 136 136 VAL CG1 C 21.780 0.2 1 995 136 136 VAL CG2 C 20.990 0.2 1 996 136 136 VAL N N 119.530 0.2 1 997 137 137 GLY H H 8.736 0.04 1 998 137 137 GLY HA2 H 4.043 0.04 2 999 137 137 GLY HA3 H 4.043 0.04 2 1000 137 137 GLY CA C 45.086 0.2 1 1001 137 137 GLY N N 112.040 0.2 1 1002 141 141 ILE HA H 3.765 0.04 1 1003 141 141 ILE HB H 2.058 0.04 1 1004 141 141 ILE HG12 H 1.505 0.04 2 1005 141 141 ILE HG13 H 1.318 0.04 2 1006 141 141 ILE HG2 H 0.962 0.04 1 1007 141 141 ILE HD1 H 0.782 0.04 1 1008 141 141 ILE C C 176.974 0.2 1 1009 141 141 ILE CA C 63.180 0.2 1 1010 141 141 ILE CB C 36.740 0.2 1 1011 141 141 ILE CG2 C 18.240 0.2 1 1012 141 141 ILE CD1 C 12.410 0.2 1 1013 142 142 GLU H H 8.067 0.04 1 1014 142 142 GLU HA H 3.955 0.04 1 1015 142 142 GLU HB2 H 2.104 0.04 2 1016 142 142 GLU C C 179.211 0.2 1 1017 142 142 GLU CA C 59.384 0.2 1 1018 142 142 GLU CB C 29.116 0.2 1 1019 142 142 GLU N N 118.989 0.2 1 1020 143 143 GLU H H 7.633 0.04 1 1021 143 143 GLU HA H 4.045 0.04 1 1022 143 143 GLU HB2 H 2.157 0.04 2 1023 143 143 GLU C C 178.455 0.2 1 1024 143 143 GLU CA C 59.228 0.2 1 1025 143 143 GLU CB C 29.628 0.2 1 1026 143 143 GLU N N 117.954 0.2 1 1027 144 144 ILE H H 7.598 0.04 1 1028 144 144 ILE HA H 3.805 0.04 1 1029 144 144 ILE HB H 1.972 0.04 1 1030 144 144 ILE HG12 H 1.819 0.04 2 1031 144 144 ILE HG13 H 1.086 0.04 2 1032 144 144 ILE HG2 H 0.902 0.04 1 1033 144 144 ILE HD1 H 0.802 0.04 1 1034 144 144 ILE C C 178.092 0.2 1 1035 144 144 ILE CA C 64.947 0.2 1 1036 144 144 ILE CB C 38.457 0.2 1 1037 144 144 ILE CG1 C 28.910 0.2 1 1038 144 144 ILE CG2 C 17.440 0.2 1 1039 144 144 ILE CD1 C 13.700 0.2 1 1040 144 144 ILE N N 119.581 0.2 1 1041 145 145 ILE H H 8.035 0.04 1 1042 145 145 ILE HA H 3.700 0.04 1 1043 145 145 ILE HB H 1.995 0.04 1 1044 145 145 ILE HG12 H 1.575 0.04 2 1045 145 145 ILE HG13 H 1.210 0.04 2 1046 145 145 ILE HG2 H 0.905 0.04 1 1047 145 145 ILE HD1 H 0.744 0.04 1 1048 145 145 ILE C C 177.184 0.2 1 1049 145 145 ILE CA C 64.377 0.2 1 1050 145 145 ILE CB C 37.478 0.2 1 1051 145 145 ILE CG2 C 17.370 0.2 1 1052 145 145 ILE CD1 C 13.060 0.2 1 1053 145 145 ILE N N 116.702 0.2 1 1054 146 146 ARG H H 7.554 0.04 1 1055 146 146 ARG HA H 4.091 0.04 1 1056 146 146 ARG C C 177.768 0.2 1 1057 146 146 ARG CA C 59.241 0.2 1 1058 146 146 ARG CB C 30.132 0.2 1 1059 146 146 ARG N N 118.923 0.2 1 1060 147 147 ASP H H 7.653 0.04 1 1061 147 147 ASP HA H 4.580 0.04 1 1062 147 147 ASP HB2 H 2.782 0.04 2 1063 147 147 ASP C C 177.272 0.2 1 1064 147 147 ASP CA C 55.858 0.2 1 1065 147 147 ASP CB C 41.799 0.2 1 1066 147 147 ASP N N 116.963 0.2 1 1067 148 148 VAL H H 7.725 0.04 1 1068 148 148 VAL HA H 4.134 0.04 1 1069 148 148 VAL HB H 2.182 0.04 1 1070 148 148 VAL HG1 H 1.002 0.04 1 1071 148 148 VAL C C 176.607 0.2 1 1072 148 148 VAL CA C 63.064 0.2 1 1073 148 148 VAL CB C 32.842 0.2 1 1074 148 148 VAL CG1 C 21.760 0.2 1 1075 148 148 VAL N N 113.980 0.2 1 1076 149 149 ASP H H 7.964 0.04 1 1077 149 149 ASP HA H 4.737 0.04 1 1078 149 149 ASP HB2 H 2.271 0.04 2 1079 149 149 ASP HB3 H 2.979 0.04 2 1080 149 149 ASP C C 176.889 0.2 1 1081 149 149 ASP CA C 52.729 0.2 1 1082 149 149 ASP CB C 39.201 0.2 1 1083 149 149 ASP N N 119.370 0.2 1 1084 150 150 LEU H H 7.857 0.04 1 1085 150 150 LEU HA H 4.127 0.04 1 1086 150 150 LEU HB2 H 1.882 0.04 2 1087 150 150 LEU HB3 H 1.664 0.04 2 1088 150 150 LEU HD1 H 1.013 0.04 1 1089 150 150 LEU HD2 H 0.909 0.04 1 1090 150 150 LEU C C 178.431 0.2 1 1091 150 150 LEU CA C 57.443 0.2 1 1092 150 150 LEU CB C 42.547 0.2 1 1093 150 150 LEU CD1 C 25.350 0.2 1 1094 150 150 LEU CD2 C 22.760 0.2 1 1095 150 150 LEU N N 126.597 0.2 1 1096 151 151 ASN H H 8.015 0.04 1 1097 151 151 ASN HA H 4.856 0.04 1 1098 151 151 ASN HB2 H 3.347 0.04 2 1099 151 151 ASN HB3 H 2.928 0.04 2 1100 151 151 ASN C C 176.665 0.2 1 1101 151 151 ASN CA C 51.684 0.2 1 1102 151 151 ASN CB C 37.338 0.2 1 1103 151 151 ASN N N 112.525 0.2 1 1104 152 152 GLY H H 7.623 0.04 1 1105 152 152 GLY HA2 H 3.865 0.04 2 1106 152 152 GLY HA3 H 3.865 0.04 2 1107 152 152 GLY C C 174.818 0.2 1 1108 152 152 GLY CA C 47.652 0.2 1 1109 152 152 GLY N N 108.895 0.2 1 1110 153 153 ASP H H 8.025 0.04 1 1111 153 153 ASP HA H 4.569 0.04 1 1112 153 153 ASP HB2 H 2.471 0.04 2 1113 153 153 ASP HB3 H 3.138 0.04 2 1114 153 153 ASP C C 177.770 0.2 1 1115 153 153 ASP CA C 53.422 0.2 1 1116 153 153 ASP CB C 40.612 0.2 1 1117 153 153 ASP N N 118.899 0.2 1 1118 154 154 GLY H H 10.378 0.04 1 1119 154 154 GLY HA2 H 4.170 0.04 2 1120 154 154 GLY HA3 H 3.539 0.04 2 1121 154 154 GLY C C 173.426 0.2 1 1122 154 154 GLY CA C 45.831 0.2 1 1123 154 154 GLY N N 112.922 0.2 1 1124 155 155 ARG H H 8.050 0.04 1 1125 155 155 ARG HA H 4.915 0.04 1 1126 155 155 ARG HB2 H 1.623 0.04 2 1127 155 155 ARG C C 174.500 0.2 1 1128 155 155 ARG CA C 53.847 0.2 1 1129 155 155 ARG CB C 33.020 0.2 1 1130 155 155 ARG N N 118.172 0.2 1 1131 156 156 VAL H H 9.407 0.04 1 1132 156 156 VAL HA H 5.107 0.04 1 1133 156 156 VAL HB H 2.268 0.04 1 1134 156 156 VAL HG1 H 1.202 0.04 1 1135 156 156 VAL HG2 H 0.850 0.04 1 1136 156 156 VAL C C 175.615 0.2 1 1137 156 156 VAL CA C 61.303 0.2 1 1138 156 156 VAL CB C 32.915 0.2 1 1139 156 156 VAL CG1 C 21.550 0.2 1 1140 156 156 VAL CG2 C 21.730 0.2 1 1141 156 156 VAL N N 126.397 0.2 1 1142 157 157 ASP H H 8.805 0.04 1 1143 157 157 ASP HA H 5.174 0.04 1 1144 157 157 ASP HB2 H 2.797 0.04 2 1145 157 157 ASP HB3 H 3.320 0.04 2 1146 157 157 ASP C C 176.218 0.2 1 1147 157 157 ASP CA C 52.653 0.2 1 1148 157 157 ASP CB C 41.905 0.2 1 1149 157 157 ASP N N 127.907 0.2 1 1150 158 158 PHE H H 8.836 0.04 1 1151 158 158 PHE HA H 3.730 0.04 1 1152 158 158 PHE HB2 H 2.718 0.04 2 1153 158 158 PHE HB3 H 2.501 0.04 2 1154 158 158 PHE HD1 H 6.679 0.04 3 1155 158 158 PHE HD2 H 6.679 0.04 3 1156 158 158 PHE HE1 H 7.086 0.04 3 1157 158 158 PHE HE2 H 7.086 0.04 3 1158 158 158 PHE HZ H 7.115 0.04 1 1159 158 158 PHE C C 176.547 0.2 1 1160 158 158 PHE CA C 62.579 0.2 1 1161 158 158 PHE CB C 38.636 0.2 1 1162 158 158 PHE N N 118.693 0.2 1 1163 159 159 GLU H H 8.159 0.04 1 1164 159 159 GLU HA H 3.760 0.04 1 1165 159 159 GLU HB2 H 2.184 0.04 2 1166 159 159 GLU C C 180.429 0.2 1 1167 159 159 GLU CA C 60.258 0.2 1 1168 159 159 GLU CB C 28.882 0.2 1 1169 159 159 GLU N N 117.881 0.2 1 1170 160 160 GLU H H 8.583 0.04 1 1171 160 160 GLU HA H 4.042 0.04 1 1172 160 160 GLU C C 179.544 0.2 1 1173 160 160 GLU CA C 58.867 0.2 1 1174 160 160 GLU CB C 29.685 0.2 1 1175 160 160 GLU N N 120.813 0.2 1 1176 161 161 PHE H H 8.835 0.04 1 1177 161 161 PHE HA H 4.035 0.04 1 1178 161 161 PHE HB2 H 3.124 0.04 2 1179 161 161 PHE HD1 H 6.936 0.04 3 1180 161 161 PHE HD2 H 6.936 0.04 3 1181 161 161 PHE HE1 H 7.159 0.04 3 1182 161 161 PHE HE2 H 7.159 0.04 3 1183 161 161 PHE HZ H 7.050 0.04 1 1184 161 161 PHE C C 176.432 0.2 1 1185 161 161 PHE CA C 61.384 0.2 1 1186 161 161 PHE CB C 39.650 0.2 1 1187 161 161 PHE N N 123.389 0.2 1 1188 162 162 VAL H H 8.474 0.04 1 1189 162 162 VAL HA H 3.034 0.04 1 1190 162 162 VAL HB H 3.033 0.04 1 1191 162 162 VAL HG1 H 0.690 0.04 1 1192 162 162 VAL HG2 H 0.385 0.04 1 1193 162 162 VAL C C 179.125 0.2 1 1194 162 162 VAL CA C 66.924 0.2 1 1195 162 162 VAL CB C 31.415 0.2 1 1196 162 162 VAL CG1 C 21.340 0.2 1 1197 162 162 VAL CG2 C 23.400 0.2 1 1198 162 162 VAL N N 119.378 0.2 1 1199 163 163 ARG H H 7.513 0.04 1 1200 163 163 ARG HA H 3.974 0.04 1 1201 163 163 ARG HB2 H 1.864 0.04 2 1202 163 163 ARG C C 178.602 0.2 1 1203 163 163 ARG CA C 59.250 0.2 1 1204 163 163 ARG CB C 29.451 0.2 1 1205 163 163 ARG N N 119.505 0.2 1 1206 164 164 MET H H 7.735 0.04 1 1207 164 164 MET HA H 4.015 0.04 1 1208 164 164 MET C C 177.036 0.2 1 1209 164 164 MET CA C 58.674 0.2 1 1210 164 164 MET CB C 32.734 0.2 1 1211 164 164 MET N N 119.076 0.2 1 1212 165 165 MET H H 7.482 0.04 1 1213 165 165 MET HA H 4.418 0.04 1 1214 165 165 MET C C 176.607 0.2 1 1215 165 165 MET CA C 54.799 0.2 1 1216 165 165 MET CB C 32.119 0.2 1 1217 165 165 MET N N 114.128 0.2 1 1218 166 166 SER H H 7.530 0.04 1 1219 166 166 SER HA H 4.590 0.04 1 1220 166 166 SER HB2 H 3.889 0.04 2 1221 166 166 SER C C 173.167 0.2 1 1222 166 166 SER CA C 58.521 0.2 1 1223 166 166 SER CB C 64.174 0.2 1 1224 166 166 SER N N 114.238 0.2 1 1225 167 167 ARG H H 7.462 0.04 1 1226 167 167 ARG HA H 4.181 0.04 1 1227 167 167 ARG HB2 H 1.783 0.04 2 1228 167 167 ARG CA C 57.959 0.2 1 1229 167 167 ARG CB C 31.435 0.2 1 1230 167 167 ARG N N 127.118 0.2 1 stop_ save_