data_18112 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Minimal Constraints Solution NMR Structure of Prospero Homeobox protein 1 from Homo sapiens. Northeast Structural Genomics Consortium Target HR4660B. ; _BMRB_accession_number 18112 _BMRB_flat_file_name bmr18112.str _Entry_type original _Submission_date 2011-11-29 _Accession_date 2011-11-29 _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 Rossi Paolo . . 2 Lange Oliver A. . 3 Lee Hsiau-Wei . . 4 Maglaqui Melissa . . 5 Janjua Haleema . . 6 Ciccosanti Colleen . . 7 Zhao Li . . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 522 "13C chemical shifts" 530 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-18 update author 'update thiol state' 2011-12-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Minimal Constraints Solution NMR Structure of Prospero Homeobox protein 1 from Homo sapiens. Northeast Structural Genomics Consortium Target HR4660B.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rossi Paolo . . 2 Lange Oliver A. . 3 Lee Hsiau-Wei . . 4 Maglaqui Melissa . . 5 Janjua Haleema . . 6 Ciccosanti Colleen . . 7 Zhao Li . . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Montelione Gaetano T. . stop_ _Journal_abbreviation 'To be published' _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HR4660B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR4660B $HR4660B stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HR4660B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR4660B _Molecular_mass 20723.934 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; MGHHHHHHSHMAMQEGLSPN HLKKAKLMFFYTRYPSSNML KTYFSDVKFNRCITSQLIKW FSNFREFYYIQMEKYARQAI NDGVTSTEELSITRDCELYR ALNMHYNKANDFEVPERFLE VAQITLREFFNAIIAGKDVD PSWKKAIYKVICKLDSEVPE IFKSPNCLQELLHE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 ALA 13 MET 14 GLN 15 GLU 16 GLY 17 LEU 18 SER 19 PRO 20 ASN 21 HIS 22 LEU 23 LYS 24 LYS 25 ALA 26 LYS 27 LEU 28 MET 29 PHE 30 PHE 31 TYR 32 THR 33 ARG 34 TYR 35 PRO 36 SER 37 SER 38 ASN 39 MET 40 LEU 41 LYS 42 THR 43 TYR 44 PHE 45 SER 46 ASP 47 VAL 48 LYS 49 PHE 50 ASN 51 ARG 52 CYS 53 ILE 54 THR 55 SER 56 GLN 57 LEU 58 ILE 59 LYS 60 TRP 61 PHE 62 SER 63 ASN 64 PHE 65 ARG 66 GLU 67 PHE 68 TYR 69 TYR 70 ILE 71 GLN 72 MET 73 GLU 74 LYS 75 TYR 76 ALA 77 ARG 78 GLN 79 ALA 80 ILE 81 ASN 82 ASP 83 GLY 84 VAL 85 THR 86 SER 87 THR 88 GLU 89 GLU 90 LEU 91 SER 92 ILE 93 THR 94 ARG 95 ASP 96 CYS 97 GLU 98 LEU 99 TYR 100 ARG 101 ALA 102 LEU 103 ASN 104 MET 105 HIS 106 TYR 107 ASN 108 LYS 109 ALA 110 ASN 111 ASP 112 PHE 113 GLU 114 VAL 115 PRO 116 GLU 117 ARG 118 PHE 119 LEU 120 GLU 121 VAL 122 ALA 123 GLN 124 ILE 125 THR 126 LEU 127 ARG 128 GLU 129 PHE 130 PHE 131 ASN 132 ALA 133 ILE 134 ILE 135 ALA 136 GLY 137 LYS 138 ASP 139 VAL 140 ASP 141 PRO 142 SER 143 TRP 144 LYS 145 LYS 146 ALA 147 ILE 148 TYR 149 LYS 150 VAL 151 ILE 152 CYS 153 LYS 154 LEU 155 ASP 156 SER 157 GLU 158 VAL 159 PRO 160 GLU 161 ILE 162 PHE 163 LYS 164 SER 165 PRO 166 ASN 167 CYS 168 LEU 169 GLN 170 GLU 171 LEU 172 LEU 173 HIS 174 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LMD "Minimal Constraints Solution Nmr Structure Of Prospero Homeobox Protein 1 From Homo Sapiens, Northeast Structural Genomics Cons" 100.00 174 100.00 100.00 1.57e-127 DBJ BAC35190 "unnamed protein product [Mus musculus]" 95.98 737 98.20 98.80 7.71e-114 DBJ BAE25293 "unnamed protein product [Mus musculus]" 95.98 737 98.20 98.80 7.71e-114 DBJ BAF82865 "unnamed protein product [Homo sapiens]" 95.98 737 98.20 98.80 8.86e-114 DBJ BAG10650 "homeobox prospero-like protein PROX1 [synthetic construct]" 95.98 737 98.20 98.80 8.86e-114 DBJ BAG60453 "unnamed protein product [Homo sapiens]" 95.98 309 98.20 98.80 1.18e-117 GB AAB30541 "Prox 1=homeobox gene prospero homolog [mice, embryos, C3H, Peptide, 165 aa]" 93.68 165 99.39 99.39 4.88e-117 GB AAC32824 "prospero-related homeobox 1 [Mus musculus]" 95.98 737 98.20 98.80 7.71e-114 GB AAC50656 "homeodomain protein [Homo sapiens]" 95.98 736 97.60 98.20 7.27e-113 GB AAC59938 "Prox 1 [Gallus gallus]" 95.98 736 98.20 98.80 1.81e-113 GB AAH24201 "Prospero homeobox 1 [Homo sapiens]" 95.98 737 98.20 98.80 8.86e-114 REF NP_001005616 "prospero homeobox protein 1 [Gallus gallus]" 95.98 736 98.20 98.80 1.81e-113 REF NP_001121962 "prospero homeobox protein 1 [Sus scrofa]" 95.98 737 98.20 98.80 7.54e-114 REF NP_001180161 "prospero homeobox protein 1 [Bos taurus]" 95.98 737 98.20 98.80 9.24e-114 REF NP_001247802 "prospero homeobox protein 1 [Macaca mulatta]" 95.98 737 98.20 98.80 8.86e-114 REF NP_001257545 "prospero homeobox protein 1 [Homo sapiens]" 95.98 737 98.20 98.80 8.86e-114 SP P48437 "RecName: Full=Prospero homeobox protein 1; AltName: Full=Homeobox prospero-like protein PROX1; Short=PROX-1" 95.98 737 98.20 98.80 7.71e-114 SP Q91018 "RecName: Full=Prospero homeobox protein 1; AltName: Full=Homeobox prospero-like protein PROX1; Short=PROX-1" 95.98 736 98.20 98.80 1.81e-113 SP Q92786 "RecName: Full=Prospero homeobox protein 1; AltName: Full=Homeobox prospero-like protein PROX1; Short=PROX-1" 95.98 737 98.20 98.80 8.86e-114 TPG DAA21012 "TPA: prospero homeobox 1 [Bos taurus]" 95.98 737 98.20 98.80 9.24e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $HR4660B human 9606 Eukaryota Metazoa Homo sapiens PROX1 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 $HR4660B 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.1 mM [U-100% 13C; U-100% 15N] HR4660B, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4660B 0.96 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 200 mM 'natural abundance' DTT 10 mM 'natural abundance' 'Calcium Chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' MES 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.2 mM [U-13C; U-15N; U-2H, 1H-LEU HD1,2 1H VAL-HG1,2 1H-ILE HD1] HR4660B, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4660B 0.2 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 200 mM 'natural abundance' DTT 10 mM 'natural abundance' 'Calcium Chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' MES 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.86 mM [5% 13C; U-100% 15N] HR4660B, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4660B 0.86 mM '[5% 13C; U-100% 15N]' 'sodium chloride' 200 mM 'natural abundance' DTT 10 mM 'natural abundance' 'Calcium Chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' MES 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' 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_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'PALES (Zweckstetter, Bax)' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _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_3D_1H-13C-13C_HSQC_NOESY_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-13C HSQC_NOESY_HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C 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 HR4660B _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 12 12 ALA H H 8.311 0.020 1 2 12 12 ALA HB H 1.349 0.020 1 3 12 12 ALA C C 177.566 0.400 1 4 12 12 ALA CA C 52.067 0.400 1 5 12 12 ALA CB C 18.456 0.400 1 6 12 12 ALA N N 125.167 0.400 1 7 13 13 MET H H 8.269 0.020 1 8 13 13 MET HE H 2.018 0.020 1 9 13 13 MET C C 176.325 0.400 1 10 13 13 MET CA C 54.992 0.400 1 11 13 13 MET CB C 32.308 0.400 1 12 13 13 MET CE C 17.003 0.400 1 13 13 13 MET N N 119.278 0.400 1 14 14 14 GLN H H 8.501 0.020 1 15 14 14 GLN HA H 4.399 0.020 1 16 14 14 GLN HB2 H 2.181 0.020 2 17 14 14 GLN HB3 H 2.002 0.020 2 18 14 14 GLN C C 175.644 0.400 1 19 14 14 GLN CA C 55.139 0.400 1 20 14 14 GLN CB C 29.051 0.400 1 21 14 14 GLN N N 120.869 0.400 1 22 15 15 GLU H H 8.547 0.020 1 23 15 15 GLU C C 176.242 0.400 1 24 15 15 GLU CA C 56.064 0.400 1 25 15 15 GLU CB C 29.302 0.400 1 26 15 15 GLU N N 122.042 0.400 1 27 16 16 GLY H H 8.100 0.020 1 28 16 16 GLY C C 172.949 0.400 1 29 16 16 GLY CA C 44.227 0.400 1 30 16 16 GLY N N 108.821 0.400 1 31 17 17 LEU H H 8.222 0.020 1 32 17 17 LEU HD1 H 0.094 0.020 1 33 17 17 LEU HD2 H 0.278 0.020 1 34 17 17 LEU C C 177.334 0.400 1 35 17 17 LEU CA C 53.544 0.400 1 36 17 17 LEU CB C 42.140 0.400 1 37 17 17 LEU CD1 C 25.201 0.400 1 38 17 17 LEU CD2 C 22.934 0.400 1 39 17 17 LEU N N 120.315 0.400 1 40 18 18 SER H H 11.627 0.020 1 41 18 18 SER CA C 56.851 0.400 1 42 18 18 SER CB C 64.636 0.400 1 43 18 18 SER N N 126.547 0.400 1 44 19 19 PRO C C 175.118 0.400 1 45 20 20 ASN H H 8.172 0.020 1 46 20 20 ASN N N 121.372 0.400 1 47 21 21 HIS HD2 H 7.649 0.020 1 48 21 21 HIS HE1 H 7.771 0.020 1 49 21 21 HIS CD2 C 116.511 0.400 1 50 21 21 HIS CE1 C 138.137 0.400 1 51 22 22 LEU HD1 H -0.350 0.020 1 52 22 22 LEU HD2 H 0.474 0.020 1 53 22 22 LEU CD1 C 20.649 0.400 1 54 22 22 LEU CD2 C 25.182 0.400 1 55 25 25 ALA HB H 1.976 0.020 1 56 25 25 ALA CB C 18.020 0.400 1 57 26 26 LYS H H 6.794 0.020 1 58 26 26 LYS CA C 56.146 0.400 1 59 26 26 LYS N N 118.490 0.400 1 60 27 27 LEU HD1 H 0.815 0.020 1 61 27 27 LEU HD2 H 0.875 0.020 1 62 27 27 LEU CD1 C 23.410 0.400 1 63 27 27 LEU CD2 C 24.920 0.400 1 64 28 28 MET HE H 1.662 0.020 1 65 28 28 MET CE C 15.658 0.400 1 66 31 31 TYR HA H 4.398 0.020 1 67 31 31 TYR HB2 H 2.755 0.020 1 68 31 31 TYR HB3 H 2.755 0.020 1 69 31 31 TYR C C 173.714 0.400 1 70 31 31 TYR CA C 59.757 0.400 1 71 32 32 THR H H 8.237 0.020 1 72 32 32 THR HA H 4.209 0.020 1 73 32 32 THR HB H 4.222 0.020 1 74 32 32 THR HG2 H 0.887 0.020 1 75 32 32 THR C C 171.061 0.400 1 76 32 32 THR CA C 56.905 0.400 1 77 32 32 THR CB C 69.707 0.400 1 78 32 32 THR CG2 C 21.463 0.400 1 79 32 32 THR N N 111.928 0.400 1 80 33 33 ARG H H 9.159 0.020 1 81 33 33 ARG C C 176.451 0.400 1 82 33 33 ARG CA C 55.627 0.400 1 83 33 33 ARG CB C 29.861 0.400 1 84 33 33 ARG N N 124.856 0.400 1 85 34 34 TYR H H 8.995 0.020 1 86 34 34 TYR CA C 55.320 0.400 1 87 34 34 TYR N N 117.908 0.400 1 88 35 35 PRO C C 177.280 0.400 1 89 36 36 SER H H 8.106 0.020 1 90 36 36 SER C C 178.938 0.400 1 91 36 36 SER CA C 64.815 0.400 1 92 36 36 SER N N 116.410 0.400 1 93 37 37 SER H H 8.169 0.020 1 94 37 37 SER C C 177.698 0.400 1 95 37 37 SER CA C 61.357 0.400 1 96 37 37 SER CB C 68.118 0.400 1 97 37 37 SER N N 117.488 0.400 1 98 38 38 ASN H H 8.284 0.020 1 99 38 38 ASN HA H 4.259 0.020 1 100 38 38 ASN HB2 H 2.679 0.020 1 101 38 38 ASN HB3 H 2.679 0.020 1 102 38 38 ASN C C 177.868 0.400 1 103 38 38 ASN CA C 55.907 0.400 1 104 38 38 ASN CB C 37.230 0.400 1 105 38 38 ASN N N 115.638 0.400 1 106 39 39 MET H H 7.857 0.020 1 107 39 39 MET HA H 4.170 0.020 1 108 39 39 MET HE H 1.851 0.020 1 109 39 39 MET C C 179.068 0.400 1 110 39 39 MET CA C 58.751 0.400 1 111 39 39 MET CB C 31.850 0.400 1 112 39 39 MET CE C 17.796 0.400 1 113 39 39 MET N N 121.352 0.400 1 114 40 40 LEU H H 8.167 0.020 1 115 40 40 LEU HA H 4.139 0.020 1 116 40 40 LEU HD1 H 0.633 0.020 1 117 40 40 LEU HD2 H 0.737 0.020 1 118 40 40 LEU C C 178.700 0.400 1 119 40 40 LEU CA C 58.455 0.400 1 120 40 40 LEU CB C 40.304 0.400 1 121 40 40 LEU CD1 C 25.467 0.400 1 122 40 40 LEU CD2 C 22.779 0.400 1 123 40 40 LEU N N 118.936 0.400 1 124 41 41 LYS H H 7.632 0.020 1 125 41 41 LYS HA H 3.475 0.020 1 126 41 41 LYS HB2 H 1.439 0.020 1 127 41 41 LYS HB3 H 1.439 0.020 1 128 41 41 LYS C C 178.793 0.400 1 129 41 41 LYS CA C 59.161 0.400 1 130 41 41 LYS CB C 30.992 0.400 1 131 41 41 LYS N N 116.791 0.400 1 132 42 42 THR H H 7.469 0.020 1 133 42 42 THR HA H 4.230 0.020 1 134 42 42 THR HB H 3.884 0.020 1 135 42 42 THR C C 176.142 0.400 1 136 42 42 THR CA C 65.107 0.400 1 137 42 42 THR CB C 68.306 0.400 1 138 42 42 THR N N 112.819 0.400 1 139 43 43 TYR H H 7.978 0.020 1 140 43 43 TYR HA H 4.204 0.020 1 141 43 43 TYR HB2 H 2.937 0.020 1 142 43 43 TYR HB3 H 2.937 0.020 1 143 43 43 TYR HD1 H 7.095 0.020 1 144 43 43 TYR HD2 H 7.095 0.020 1 145 43 43 TYR HE1 H 6.700 0.020 1 146 43 43 TYR HE2 H 6.700 0.020 1 147 43 43 TYR C C 174.240 0.400 1 148 43 43 TYR CA C 60.886 0.400 1 149 43 43 TYR CB C 38.165 0.400 1 150 43 43 TYR CD1 C 132.980 0.400 1 151 43 43 TYR CD2 C 132.980 0.400 1 152 43 43 TYR CE1 C 118.868 0.400 1 153 43 43 TYR CE2 C 118.868 0.400 1 154 43 43 TYR N N 118.565 0.400 1 155 44 44 PHE H H 7.955 0.020 1 156 44 44 PHE HA H 4.920 0.020 1 157 44 44 PHE HB2 H 3.209 0.020 1 158 44 44 PHE HB3 H 3.209 0.020 1 159 44 44 PHE HD1 H 7.722 0.020 1 160 44 44 PHE HD2 H 7.722 0.020 1 161 44 44 PHE HE1 H 7.613 0.020 1 162 44 44 PHE HE2 H 7.613 0.020 1 163 44 44 PHE HZ H 7.431 0.020 1 164 44 44 PHE C C 176.436 0.400 1 165 44 44 PHE CA C 56.672 0.400 1 166 44 44 PHE CB C 36.570 0.400 1 167 44 44 PHE CD1 C 132.698 0.400 1 168 44 44 PHE CD2 C 132.698 0.400 1 169 44 44 PHE CE1 C 130.500 0.400 1 170 44 44 PHE CE2 C 130.500 0.400 1 171 44 44 PHE CZ C 129.100 0.400 1 172 44 44 PHE N N 120.980 0.400 1 173 45 45 SER H H 7.932 0.020 1 174 45 45 SER HA H 4.373 0.020 1 175 45 45 SER HB2 H 4.116 0.020 1 176 45 45 SER HB3 H 4.116 0.020 1 177 45 45 SER C C 174.424 0.400 1 178 45 45 SER CA C 61.037 0.400 1 179 45 45 SER CB C 62.711 0.400 1 180 45 45 SER N N 113.407 0.400 1 181 46 46 ASP H H 9.889 0.020 1 182 46 46 ASP HA H 4.572 0.020 1 183 46 46 ASP HB2 H 2.903 0.020 2 184 46 46 ASP HB3 H 2.631 0.020 2 185 46 46 ASP C C 174.866 0.400 1 186 46 46 ASP CA C 53.602 0.400 1 187 46 46 ASP CB C 38.992 0.400 1 188 46 46 ASP N N 118.099 0.400 1 189 47 47 VAL H H 7.781 0.020 1 190 47 47 VAL HA H 4.058 0.020 1 191 47 47 VAL HB H 1.962 0.020 1 192 47 47 VAL HG1 H 0.148 0.020 1 193 47 47 VAL HG2 H 0.470 0.020 1 194 47 47 VAL C C 174.676 0.400 1 195 47 47 VAL CA C 61.006 0.400 1 196 47 47 VAL CB C 32.110 0.400 1 197 47 47 VAL CG1 C 21.275 0.400 1 198 47 47 VAL CG2 C 21.473 0.400 1 199 47 47 VAL N N 121.496 0.400 1 200 48 48 LYS H H 8.245 0.020 1 201 48 48 LYS HA H 4.402 0.020 1 202 48 48 LYS HB2 H 1.759 0.020 2 203 48 48 LYS HB3 H 1.671 0.020 2 204 48 48 LYS C C 175.564 0.400 1 205 48 48 LYS CA C 54.874 0.400 1 206 48 48 LYS CB C 30.189 0.400 1 207 48 48 LYS N N 126.100 0.400 1 208 49 49 PHE H H 8.626 0.020 1 209 49 49 PHE HA H 3.813 0.020 1 210 49 49 PHE HB2 H 3.023 0.020 2 211 49 49 PHE HB3 H 2.867 0.020 2 212 49 49 PHE HD1 H 7.367 0.020 1 213 49 49 PHE HD2 H 7.367 0.020 1 214 49 49 PHE HE1 H 7.281 0.020 1 215 49 49 PHE HE2 H 7.281 0.020 1 216 49 49 PHE HZ H 6.858 0.020 1 217 49 49 PHE C C 175.708 0.400 1 218 49 49 PHE CA C 60.861 0.400 1 219 49 49 PHE CB C 38.616 0.400 1 220 49 49 PHE CD1 C 131.698 0.400 1 221 49 49 PHE CD2 C 131.698 0.400 1 222 49 49 PHE CE1 C 131.407 0.400 1 223 49 49 PHE CE2 C 131.407 0.400 1 224 49 49 PHE CZ C 129.307 0.400 1 225 49 49 PHE N N 125.341 0.400 1 226 50 50 ASN H H 7.030 0.020 1 227 50 50 ASN C C 176.072 0.400 1 228 50 50 ASN CA C 51.730 0.400 1 229 50 50 ASN N N 115.408 0.400 1 230 51 51 ARG H H 7.790 0.020 1 231 51 51 ARG CA C 59.534 0.400 1 232 51 51 ARG N N 122.706 0.400 1 233 52 52 CYS H H 7.681 0.020 1 234 52 52 CYS HA H 4.108 0.020 1 235 52 52 CYS HB2 H 2.957 0.020 1 236 52 52 CYS HB3 H 2.957 0.020 1 237 52 52 CYS C C 178.200 0.400 1 238 52 52 CYS CA C 61.143 0.400 1 239 52 52 CYS N N 117.340 0.400 1 240 53 53 ILE H H 8.035 0.020 1 241 53 53 ILE HA H 3.588 0.020 1 242 53 53 ILE HB H 1.621 0.020 1 243 53 53 ILE HG12 H 1.564 0.020 2 244 53 53 ILE HG13 H 1.131 0.020 2 245 53 53 ILE HG2 H 0.356 0.020 1 246 53 53 ILE HD1 H 0.382 0.020 1 247 53 53 ILE C C 177.492 0.400 1 248 53 53 ILE CA C 64.109 0.400 1 249 53 53 ILE CB C 37.603 0.400 1 250 53 53 ILE CG1 C 28.320 0.400 1 251 53 53 ILE CG2 C 16.879 0.400 1 252 53 53 ILE CD1 C 11.583 0.400 1 253 53 53 ILE N N 122.321 0.400 1 254 54 54 THR HG2 H 1.123 0.020 1 255 54 54 THR C C 175.903 0.400 1 256 54 54 THR CA C 67.308 0.400 1 257 54 54 THR CG2 C 22.181 0.400 1 258 55 55 SER H H 7.844 0.020 1 259 55 55 SER N N 113.819 0.400 1 260 56 56 GLN C C 179.792 0.400 1 261 57 57 LEU H H 8.267 0.020 1 262 57 57 LEU HA H 4.519 0.020 1 263 57 57 LEU HB2 H 2.587 0.020 1 264 57 57 LEU HB3 H 2.587 0.020 1 265 57 57 LEU HG H 1.236 0.020 1 266 57 57 LEU HD1 H 0.396 0.020 1 267 57 57 LEU HD2 H 0.286 0.020 1 268 57 57 LEU C C 178.775 0.400 1 269 57 57 LEU CA C 55.232 0.400 1 270 57 57 LEU CB C 37.131 0.400 1 271 57 57 LEU CD1 C 25.963 0.400 1 272 57 57 LEU CD2 C 24.855 0.400 1 273 57 57 LEU N N 116.701 0.400 1 274 58 58 ILE H H 8.111 0.020 1 275 58 58 ILE HA H 4.640 0.020 1 276 58 58 ILE HB H 1.908 0.020 1 277 58 58 ILE HG12 H 1.191 0.020 2 278 58 58 ILE HG13 H 1.572 0.020 2 279 58 58 ILE HG2 H 0.883 0.020 1 280 58 58 ILE HD1 H 0.706 0.020 1 281 58 58 ILE C C 177.380 0.400 1 282 58 58 ILE CA C 62.163 0.400 1 283 58 58 ILE CB C 30.657 0.400 1 284 58 58 ILE CG2 C 16.976 0.400 1 285 58 58 ILE CD1 C 12.423 0.400 1 286 58 58 ILE N N 122.522 0.400 1 287 59 59 LYS H H 7.432 0.020 1 288 59 59 LYS C C 177.600 0.400 1 289 59 59 LYS CA C 57.570 0.400 1 290 59 59 LYS CB C 39.101 0.400 1 291 59 59 LYS N N 121.002 0.400 1 292 60 60 TRP H H 7.565 0.020 1 293 60 60 TRP HA H 3.739 0.020 1 294 60 60 TRP HD1 H 6.768 0.020 1 295 60 60 TRP HE1 H 9.992 0.020 1 296 60 60 TRP HE3 H 6.539 0.020 1 297 60 60 TRP HZ2 H 7.333 0.020 1 298 60 60 TRP HH2 H 7.015 0.020 1 299 60 60 TRP C C 178.246 0.400 1 300 60 60 TRP CA C 59.818 0.400 1 301 60 60 TRP CB C 31.851 0.400 1 302 60 60 TRP CD1 C 123.216 0.400 1 303 60 60 TRP CE3 C 128.400 0.400 1 304 60 60 TRP CZ2 C 114.405 0.400 1 305 60 60 TRP CH2 C 124.955 0.400 1 306 60 60 TRP N N 118.679 0.400 1 307 60 60 TRP NE1 N 126.079 0.400 1 308 61 61 PHE H H 7.819 0.020 1 309 61 61 PHE HA H 3.882 0.020 1 310 61 61 PHE CA C 60.054 0.400 1 311 61 61 PHE N N 118.005 0.400 1 312 62 62 SER H H 8.878 0.020 1 313 62 62 SER C C 177.840 0.400 1 314 62 62 SER CA C 55.892 0.400 1 315 62 62 SER N N 121.144 0.400 1 316 63 63 ASN H H 8.001 0.020 1 317 63 63 ASN C C 177.222 0.400 1 318 63 63 ASN CA C 60.467 0.400 1 319 63 63 ASN N N 115.303 0.400 1 320 64 64 PHE H H 7.082 0.020 1 321 64 64 PHE CA C 56.453 0.400 1 322 64 64 PHE N N 112.571 0.400 1 323 65 65 ARG H H 8.091 0.020 1 324 65 65 ARG CA C 59.590 0.400 1 325 65 65 ARG N N 116.695 0.400 1 326 66 66 GLU H H 7.597 0.020 1 327 66 66 GLU HA H 4.739 0.020 1 328 66 66 GLU C C 174.621 0.400 1 329 66 66 GLU CA C 59.583 0.400 1 330 66 66 GLU N N 121.653 0.400 1 331 67 67 PHE H H 7.067 0.020 1 332 67 67 PHE HD1 H 6.978 0.020 1 333 67 67 PHE HD2 H 6.978 0.020 1 334 67 67 PHE C C 176.164 0.400 1 335 67 67 PHE CA C 61.156 0.400 1 336 67 67 PHE CD1 C 132.276 0.400 1 337 67 67 PHE CD2 C 132.276 0.400 1 338 67 67 PHE N N 111.578 0.400 1 339 68 68 TYR H H 7.442 0.020 1 340 68 68 TYR C C 176.844 0.400 1 341 68 68 TYR CA C 61.758 0.400 1 342 68 68 TYR N N 119.370 0.400 1 343 69 69 TYR H H 9.127 0.020 1 344 69 69 TYR HA H 4.086 0.020 1 345 69 69 TYR C C 180.328 0.400 1 346 69 69 TYR CA C 61.528 0.400 1 347 69 69 TYR N N 116.047 0.400 1 348 70 70 ILE H H 8.631 0.020 1 349 70 70 ILE HA H 3.828 0.020 1 350 70 70 ILE HG2 H 0.730 0.020 1 351 70 70 ILE HD1 H 0.839 0.020 1 352 70 70 ILE C C 179.585 0.400 1 353 70 70 ILE CA C 65.787 0.400 1 354 70 70 ILE CB C 36.435 0.400 1 355 70 70 ILE CG2 C 16.960 0.400 1 356 70 70 ILE CD1 C 13.682 0.400 1 357 70 70 ILE N N 124.738 0.400 1 358 71 71 GLN H H 7.738 0.020 1 359 71 71 GLN HA H 3.826 0.020 1 360 71 71 GLN C C 178.192 0.400 1 361 71 71 GLN CA C 57.779 0.400 1 362 71 71 GLN N N 117.940 0.400 1 363 72 72 MET H H 7.844 0.020 1 364 72 72 MET HA H 4.112 0.020 1 365 72 72 MET HE H 1.641 0.020 1 366 72 72 MET C C 177.203 0.400 1 367 72 72 MET CA C 57.272 0.400 1 368 72 72 MET CE C 19.470 0.400 1 369 72 72 MET N N 117.353 0.400 1 370 73 73 GLU H H 7.503 0.020 1 371 73 73 GLU HA H 3.572 0.020 1 372 73 73 GLU C C 177.344 0.400 1 373 73 73 GLU CA C 60.324 0.400 1 374 73 73 GLU N N 117.858 0.400 1 375 74 74 LYS H H 7.912 0.020 1 376 74 74 LYS HA H 3.867 0.020 1 377 74 74 LYS HB2 H 1.824 0.020 1 378 74 74 LYS C C 180.077 0.400 1 379 74 74 LYS CA C 59.754 0.400 1 380 74 74 LYS N N 118.716 0.400 1 381 75 75 TYR H H 8.421 0.020 1 382 75 75 TYR HA H 4.085 0.020 1 383 75 75 TYR HB2 H 2.873 0.020 1 384 75 75 TYR HD1 H 7.532 0.020 1 385 75 75 TYR HD2 H 7.532 0.020 1 386 75 75 TYR HE1 H 6.927 0.020 1 387 75 75 TYR HE2 H 6.927 0.020 1 388 75 75 TYR C C 178.874 0.400 1 389 75 75 TYR CA C 63.306 0.400 1 390 75 75 TYR CD1 C 133.976 0.400 1 391 75 75 TYR CD2 C 133.976 0.400 1 392 75 75 TYR CE1 C 117.724 0.400 1 393 75 75 TYR CE2 C 117.724 0.400 1 394 75 75 TYR N N 117.309 0.400 1 395 76 76 ALA H H 8.553 0.020 1 396 76 76 ALA HA H 4.221 0.020 1 397 76 76 ALA HB H 1.666 0.020 1 398 76 76 ALA C C 178.850 0.400 1 399 76 76 ALA CA C 56.280 0.400 1 400 76 76 ALA CB C 18.687 0.400 1 401 76 76 ALA N N 125.392 0.400 1 402 77 77 ARG H H 8.471 0.020 1 403 77 77 ARG HA H 3.935 0.020 1 404 77 77 ARG HB2 H 1.892 0.020 1 405 77 77 ARG HB3 H 1.892 0.020 1 406 77 77 ARG C C 179.341 0.400 1 407 77 77 ARG CA C 60.499 0.400 1 408 77 77 ARG N N 115.067 0.400 1 409 78 78 GLN H H 8.142 0.020 1 410 78 78 GLN HA H 3.921 0.020 1 411 78 78 GLN HB2 H 2.055 0.020 1 412 78 78 GLN C C 177.289 0.400 1 413 78 78 GLN CA C 58.619 0.400 1 414 78 78 GLN CB C 27.752 0.400 1 415 78 78 GLN N N 120.107 0.400 1 416 79 79 ALA H H 7.811 0.020 1 417 79 79 ALA HA H 4.308 0.020 1 418 79 79 ALA HB H 1.589 0.020 1 419 79 79 ALA C C 179.924 0.400 1 420 79 79 ALA CA C 54.970 0.400 1 421 79 79 ALA CB C 17.064 0.400 1 422 79 79 ALA N N 120.809 0.400 1 423 80 80 ILE H H 7.837 0.020 1 424 80 80 ILE HA H 3.894 0.020 1 425 80 80 ILE HG2 H 0.822 0.020 1 426 80 80 ILE HD1 H 0.537 0.020 1 427 80 80 ILE C C 181.268 0.400 1 428 80 80 ILE CA C 64.841 0.400 1 429 80 80 ILE CB C 37.125 0.400 1 430 80 80 ILE CG2 C 16.410 0.400 1 431 80 80 ILE CD1 C 13.996 0.400 1 432 80 80 ILE N N 118.524 0.400 1 433 81 81 ASN H H 8.262 0.020 1 434 81 81 ASN HA H 4.398 0.020 1 435 81 81 ASN HB2 H 2.883 0.020 1 436 81 81 ASN HB3 H 2.883 0.020 1 437 81 81 ASN C C 176.546 0.400 1 438 81 81 ASN CA C 55.892 0.400 1 439 81 81 ASN CB C 37.603 0.400 1 440 81 81 ASN N N 121.233 0.400 1 441 82 82 ASP H H 8.316 0.020 1 442 82 82 ASP HA H 4.666 0.020 1 443 82 82 ASP HB2 H 2.907 0.020 1 444 82 82 ASP HB3 H 2.907 0.020 1 445 82 82 ASP C C 176.767 0.400 1 446 82 82 ASP CA C 54.771 0.400 1 447 82 82 ASP CB C 40.121 0.400 1 448 82 82 ASP N N 119.240 0.400 1 449 83 83 GLY H H 7.810 0.020 1 450 83 83 GLY HA2 H 4.284 0.020 2 451 83 83 GLY HA3 H 3.731 0.020 2 452 83 83 GLY C C 174.601 0.400 1 453 83 83 GLY CA C 45.214 0.400 1 454 83 83 GLY N N 106.913 0.400 1 455 84 84 VAL H H 8.157 0.020 1 456 84 84 VAL HA H 3.850 0.020 1 457 84 84 VAL HG1 H 0.736 0.020 1 458 84 84 VAL HG2 H 0.988 0.020 1 459 84 84 VAL C C 177.265 0.400 1 460 84 84 VAL CA C 64.270 0.400 1 461 84 84 VAL CB C 30.471 0.400 1 462 84 84 VAL CG1 C 22.397 0.400 1 463 84 84 VAL CG2 C 22.117 0.400 1 464 84 84 VAL N N 122.981 0.400 1 465 85 85 THR H H 8.890 0.020 1 466 85 85 THR HA H 4.716 0.020 1 467 85 85 THR HB H 4.421 0.020 1 468 85 85 THR HG2 H 1.164 0.020 1 469 85 85 THR C C 174.489 0.400 1 470 85 85 THR CA C 61.618 0.400 1 471 85 85 THR CB C 70.081 0.400 1 472 85 85 THR CG2 C 21.614 0.400 1 473 85 85 THR N N 115.232 0.400 1 474 86 86 SER H H 7.704 0.020 1 475 86 86 SER HA H 5.046 0.020 1 476 86 86 SER HB2 H 3.886 0.020 2 477 86 86 SER HB3 H 3.790 0.020 2 478 86 86 SER C C 174.473 0.400 1 479 86 86 SER CA C 55.922 0.400 1 480 86 86 SER CB C 64.385 0.400 1 481 86 86 SER N N 117.009 0.400 1 482 87 87 THR H H 8.711 0.020 1 483 87 87 THR HA H 4.065 0.020 1 484 87 87 THR HB H 3.380 0.020 1 485 87 87 THR HG2 H 1.373 0.020 1 486 87 87 THR C C 176.047 0.400 1 487 87 87 THR CA C 64.983 0.400 1 488 87 87 THR CB C 68.045 0.400 1 489 87 87 THR CG2 C 23.406 0.400 1 490 87 87 THR N N 118.634 0.400 1 491 88 88 GLU H H 8.152 0.020 1 492 88 88 GLU HA H 3.881 0.020 1 493 88 88 GLU HB2 H 2.042 0.020 2 494 88 88 GLU HB3 H 1.838 0.020 2 495 88 88 GLU C C 177.146 0.400 1 496 88 88 GLU CA C 57.814 0.400 1 497 88 88 GLU CB C 28.050 0.400 1 498 88 88 GLU N N 117.889 0.400 1 499 89 89 GLU H H 7.311 0.020 1 500 89 89 GLU HA H 4.149 0.020 1 501 89 89 GLU HB2 H 2.212 0.020 2 502 89 89 GLU HB3 H 2.003 0.020 2 503 89 89 GLU C C 176.192 0.400 1 504 89 89 GLU CA C 56.133 0.400 1 505 89 89 GLU CB C 29.415 0.400 1 506 89 89 GLU N N 115.617 0.400 1 507 90 90 LEU H H 7.311 0.020 1 508 90 90 LEU HA H 4.439 0.020 1 509 90 90 LEU HB2 H 1.674 0.020 2 510 90 90 LEU HB3 H 1.170 0.020 2 511 90 90 LEU HD1 H 0.373 0.020 1 512 90 90 LEU HD2 H 0.528 0.020 1 513 90 90 LEU C C 175.267 0.400 1 514 90 90 LEU CA C 53.504 0.400 1 515 90 90 LEU CB C 40.479 0.400 1 516 90 90 LEU CD1 C 25.790 0.400 1 517 90 90 LEU CD2 C 23.914 0.400 1 518 90 90 LEU N N 120.870 0.400 1 519 91 91 SER H H 8.221 0.020 1 520 91 91 SER HA H 4.747 0.020 1 521 91 91 SER HB2 H 3.622 0.020 1 522 91 91 SER HB3 H 3.622 0.020 1 523 91 91 SER C C 173.332 0.400 1 524 91 91 SER CA C 56.314 0.400 1 525 91 91 SER CB C 64.615 0.400 1 526 91 91 SER N N 118.376 0.400 1 527 92 92 ILE H H 8.570 0.020 1 528 92 92 ILE HA H 4.537 0.020 1 529 92 92 ILE HB H 1.826 0.020 1 530 92 92 ILE HG2 H 0.765 0.020 1 531 92 92 ILE HD1 H 0.661 0.020 1 532 92 92 ILE C C 174.059 0.400 1 533 92 92 ILE CA C 59.881 0.400 1 534 92 92 ILE CB C 37.820 0.400 1 535 92 92 ILE CG1 C 26.721 0.400 1 536 92 92 ILE CG2 C 17.342 0.400 1 537 92 92 ILE CD1 C 12.901 0.400 1 538 92 92 ILE N N 122.247 0.400 1 539 93 93 THR H H 7.224 0.020 1 540 93 93 THR HA H 4.580 0.020 1 541 93 93 THR HB H 4.446 0.020 1 542 93 93 THR HG2 H 1.113 0.020 1 543 93 93 THR C C 175.049 0.400 1 544 93 93 THR CA C 58.988 0.400 1 545 93 93 THR CB C 71.362 0.400 1 546 93 93 THR CG2 C 21.452 0.400 1 547 93 93 THR N N 116.069 0.400 1 548 94 94 ARG H H 8.596 0.020 1 549 94 94 ARG HA H 3.077 0.020 1 550 94 94 ARG C C 175.076 0.400 1 551 94 94 ARG CA C 57.119 0.400 1 552 94 94 ARG CB C 27.838 0.400 1 553 94 94 ARG N N 116.595 0.400 1 554 95 95 ASP H H 7.607 0.020 1 555 95 95 ASP HA H 4.765 0.020 1 556 95 95 ASP HB2 H 2.614 0.020 2 557 95 95 ASP HB3 H 2.508 0.020 2 558 95 95 ASP C C 175.876 0.400 1 559 95 95 ASP CA C 53.156 0.400 1 560 95 95 ASP CB C 41.166 0.400 1 561 95 95 ASP N N 113.735 0.400 1 562 96 96 CYS H H 7.094 0.020 1 563 96 96 CYS C C 174.361 0.400 1 564 96 96 CYS CA C 56.562 0.400 1 565 96 96 CYS CB C 29.416 0.400 1 566 96 96 CYS N N 116.012 0.400 1 567 97 97 GLU H H 9.003 0.020 1 568 97 97 GLU C C 178.748 0.400 1 569 97 97 GLU CA C 59.912 0.400 1 570 97 97 GLU CB C 29.195 0.400 1 571 97 97 GLU N N 123.087 0.400 1 572 98 98 LEU H H 8.656 0.020 1 573 98 98 LEU HA H 3.614 0.020 1 574 98 98 LEU HG H 1.158 0.020 1 575 98 98 LEU HD1 H 0.695 0.020 1 576 98 98 LEU HD2 H 0.764 0.020 1 577 98 98 LEU C C 177.796 0.400 1 578 98 98 LEU CA C 58.090 0.400 1 579 98 98 LEU CB C 39.778 0.400 1 580 98 98 LEU CD1 C 22.524 0.400 1 581 98 98 LEU CD2 C 27.148 0.400 1 582 98 98 LEU N N 120.942 0.400 1 583 99 99 TYR H H 7.522 0.020 1 584 99 99 TYR HD1 H 6.913 0.020 1 585 99 99 TYR HD2 H 6.913 0.020 1 586 99 99 TYR HE1 H 6.773 0.020 1 587 99 99 TYR HE2 H 6.773 0.020 1 588 99 99 TYR C C 177.077 0.400 1 589 99 99 TYR CA C 62.622 0.400 1 590 99 99 TYR CB C 38.742 0.400 1 591 99 99 TYR CD1 C 133.214 0.400 1 592 99 99 TYR CD2 C 133.214 0.400 1 593 99 99 TYR CE1 C 117.307 0.400 1 594 99 99 TYR CE2 C 117.307 0.400 1 595 99 99 TYR N N 118.313 0.400 1 596 100 100 ARG H H 8.243 0.020 1 597 100 100 ARG C C 178.616 0.400 1 598 100 100 ARG CA C 59.915 0.400 1 599 100 100 ARG CB C 29.100 0.400 1 600 100 100 ARG N N 118.101 0.400 1 601 101 101 ALA H H 8.352 0.020 1 602 101 101 ALA HA H 4.145 0.020 1 603 101 101 ALA HB H 1.569 0.020 1 604 101 101 ALA C C 181.359 0.400 1 605 101 101 ALA CA C 55.057 0.400 1 606 101 101 ALA CB C 17.543 0.400 1 607 101 101 ALA N N 120.972 0.400 1 608 102 102 LEU H H 7.960 0.020 1 609 102 102 LEU HA H 4.333 0.020 1 610 102 102 LEU HB2 H 2.330 0.020 2 611 102 102 LEU HB3 H 2.370 0.020 2 612 102 102 LEU HD1 H 1.013 0.020 1 613 102 102 LEU HD2 H 1.255 0.020 1 614 102 102 LEU C C 178.583 0.400 1 615 102 102 LEU CA C 57.634 0.400 1 616 102 102 LEU CB C 41.716 0.400 1 617 102 102 LEU CD1 C 25.992 0.400 1 618 102 102 LEU CD2 C 23.261 0.400 1 619 102 102 LEU N N 115.683 0.400 1 620 103 103 ASN H H 9.301 0.020 1 621 103 103 ASN C C 177.470 0.400 1 622 103 103 ASN CA C 56.974 0.400 1 623 103 103 ASN CB C 38.140 0.400 1 624 103 103 ASN N N 118.957 0.400 1 625 104 104 MET H H 8.332 0.020 1 626 104 104 MET CA C 57.362 0.400 1 627 104 104 MET CB C 31.895 0.400 1 628 104 104 MET N N 113.763 0.400 1 629 105 105 HIS H H 7.156 0.020 1 630 105 105 HIS HA H 3.764 0.020 1 631 105 105 HIS HB2 H 2.369 0.020 1 632 105 105 HIS HE1 H 7.446 0.020 1 633 105 105 HIS C C 176.939 0.400 1 634 105 105 HIS CA C 59.069 0.400 1 635 105 105 HIS CE1 C 137.467 0.400 1 636 105 105 HIS N N 116.024 0.400 1 637 106 106 TYR H H 7.204 0.020 1 638 106 106 TYR HD1 H 6.549 0.020 1 639 106 106 TYR HD2 H 6.549 0.020 1 640 106 106 TYR HE1 H 6.453 0.020 1 641 106 106 TYR HE2 H 6.453 0.020 1 642 106 106 TYR C C 173.767 0.400 1 643 106 106 TYR CA C 58.488 0.400 1 644 106 106 TYR CB C 38.225 0.400 1 645 106 106 TYR CD1 C 132.922 0.400 1 646 106 106 TYR CD2 C 132.922 0.400 1 647 106 106 TYR CE1 C 117.736 0.400 1 648 106 106 TYR CE2 C 117.736 0.400 1 649 106 106 TYR N N 113.161 0.400 1 650 107 107 ASN H H 8.127 0.020 1 651 107 107 ASN HA H 3.922 0.020 1 652 107 107 ASN C C 175.815 0.400 1 653 107 107 ASN CA C 51.233 0.400 1 654 107 107 ASN CB C 38.142 0.400 1 655 107 107 ASN N N 118.875 0.400 1 656 108 108 LYS H H 7.772 0.020 1 657 108 108 LYS HA H 3.954 0.020 1 658 108 108 LYS HB2 H 1.607 0.020 1 659 108 108 LYS C C 177.586 0.400 1 660 108 108 LYS CA C 59.749 0.400 1 661 108 108 LYS CB C 31.498 0.400 1 662 108 108 LYS N N 122.850 0.400 1 663 109 109 ALA H H 8.307 0.020 1 664 109 109 ALA HA H 4.137 0.020 1 665 109 109 ALA HB H 1.329 0.020 1 666 109 109 ALA C C 177.889 0.400 1 667 109 109 ALA CA C 52.299 0.400 1 668 109 109 ALA CB C 17.787 0.400 1 669 109 109 ALA N N 118.054 0.400 1 670 110 110 ASN H H 8.353 0.020 1 671 110 110 ASN HA H 4.480 0.020 1 672 110 110 ASN HB2 H 3.199 0.020 2 673 110 110 ASN HB3 H 2.441 0.020 2 674 110 110 ASN C C 174.277 0.400 1 675 110 110 ASN CA C 53.504 0.400 1 676 110 110 ASN CB C 37.283 0.400 1 677 110 110 ASN N N 115.542 0.400 1 678 111 111 ASP H H 8.297 0.020 1 679 111 111 ASP HA H 4.485 0.020 1 680 111 111 ASP HB2 H 2.851 0.020 2 681 111 111 ASP HB3 H 2.387 0.020 2 682 111 111 ASP C C 174.868 0.400 1 683 111 111 ASP CA C 53.227 0.400 1 684 111 111 ASP CB C 39.228 0.400 1 685 111 111 ASP N N 114.692 0.400 1 686 112 112 PHE H H 7.784 0.020 1 687 112 112 PHE HA H 4.752 0.020 1 688 112 112 PHE HB2 H 2.776 0.020 1 689 112 112 PHE C C 174.633 0.400 1 690 112 112 PHE CA C 56.346 0.400 1 691 112 112 PHE N N 120.927 0.400 1 692 113 113 GLU H H 7.752 0.020 1 693 113 113 GLU HA H 4.011 0.020 1 694 113 113 GLU HB2 H 1.606 0.020 1 695 113 113 GLU HB3 H 1.606 0.020 1 696 113 113 GLU C C 173.502 0.400 1 697 113 113 GLU CA C 55.100 0.400 1 698 113 113 GLU N N 128.111 0.400 1 699 114 114 VAL H H 8.008 0.020 1 700 114 114 VAL HA H 3.241 0.020 1 701 114 114 VAL HB H 1.659 0.020 1 702 114 114 VAL HG1 H 0.576 0.020 1 703 114 114 VAL HG2 H 0.463 0.020 1 704 114 114 VAL CA C 60.838 0.400 1 705 114 114 VAL CB C 32.609 0.400 1 706 114 114 VAL CG1 C 20.218 0.400 1 707 114 114 VAL CG2 C 22.462 0.400 1 708 114 114 VAL N N 129.326 0.400 1 709 115 115 PRO HA H 4.429 0.020 1 710 115 115 PRO HB2 H 2.355 0.020 2 711 115 115 PRO HB3 H 2.053 0.020 2 712 115 115 PRO C C 177.421 0.400 1 713 115 115 PRO CA C 61.882 0.400 1 714 115 115 PRO CB C 30.974 0.400 1 715 116 116 GLU H H 8.757 0.020 1 716 116 116 GLU C C 179.034 0.400 1 717 116 116 GLU CA C 58.913 0.400 1 718 116 116 GLU CB C 28.378 0.400 1 719 116 116 GLU N N 123.936 0.400 1 720 117 117 ARG H H 8.733 0.020 1 721 117 117 ARG C C 177.570 0.400 1 722 117 117 ARG CA C 57.033 0.400 1 723 117 117 ARG CB C 28.172 0.400 1 724 117 117 ARG N N 116.943 0.400 1 725 118 118 PHE H H 7.606 0.020 1 726 118 118 PHE HA H 4.137 0.020 1 727 118 118 PHE HB2 H 2.974 0.020 2 728 118 118 PHE HB3 H 1.873 0.020 2 729 118 118 PHE C C 176.992 0.400 1 730 118 118 PHE CA C 61.627 0.400 1 731 118 118 PHE CB C 37.386 0.400 1 732 118 118 PHE N N 117.528 0.400 1 733 119 119 LEU H H 7.248 0.020 1 734 119 119 LEU HA H 3.684 0.020 1 735 119 119 LEU HB2 H 1.954 0.020 2 736 119 119 LEU HB3 H 1.958 0.020 2 737 119 119 LEU HG H 1.504 0.020 1 738 119 119 LEU HD1 H 0.831 0.020 1 739 119 119 LEU HD2 H 0.616 0.020 1 740 119 119 LEU C C 178.802 0.400 1 741 119 119 LEU CA C 59.875 0.400 1 742 119 119 LEU CB C 39.453 0.400 1 743 119 119 LEU CD1 C 25.682 0.400 1 744 119 119 LEU CD2 C 25.431 0.400 1 745 119 119 LEU N N 118.483 0.400 1 746 120 120 GLU H H 7.423 0.020 1 747 120 120 GLU C C 179.932 0.400 1 748 120 120 GLU CA C 59.150 0.400 1 749 120 120 GLU CB C 28.878 0.400 1 750 120 120 GLU N N 117.870 0.400 1 751 121 121 VAL H H 8.313 0.020 1 752 121 121 VAL HA H 3.545 0.020 1 753 121 121 VAL HB H 1.927 0.020 1 754 121 121 VAL HG1 H 0.827 0.020 1 755 121 121 VAL HG2 H 1.111 0.020 1 756 121 121 VAL C C 179.302 0.400 1 757 121 121 VAL CA C 66.875 0.400 1 758 121 121 VAL CB C 30.823 0.400 1 759 121 121 VAL CG1 C 19.770 0.400 1 760 121 121 VAL CG2 C 23.166 0.400 1 761 121 121 VAL N N 120.777 0.400 1 762 122 122 ALA H H 8.896 0.020 1 763 122 122 ALA HA H 4.251 0.020 1 764 122 122 ALA HB H 1.012 0.020 1 765 122 122 ALA C C 178.366 0.400 1 766 122 122 ALA CA C 54.748 0.400 1 767 122 122 ALA CB C 16.565 0.400 1 768 122 122 ALA N N 127.029 0.400 1 769 123 123 GLN H H 8.349 0.020 1 770 123 123 GLN C C 177.908 0.400 1 771 123 123 GLN CA C 60.671 0.400 1 772 123 123 GLN N N 119.887 0.400 1 773 124 124 ILE H H 8.204 0.020 1 774 124 124 ILE HA H 3.651 0.020 1 775 124 124 ILE HB H 1.909 0.020 1 776 124 124 ILE HG12 H 0.887 0.020 2 777 124 124 ILE HG13 H 0.914 0.020 2 778 124 124 ILE HG2 H 0.897 0.020 1 779 124 124 ILE HD1 H 0.877 0.020 1 780 124 124 ILE C C 178.703 0.400 1 781 124 124 ILE CA C 65.945 0.400 1 782 124 124 ILE CG2 C 16.711 0.400 1 783 124 124 ILE CD1 C 13.971 0.400 1 784 124 124 ILE N N 120.632 0.400 1 785 125 125 THR H H 8.399 0.020 1 786 125 125 THR HG2 H 1.630 0.020 1 787 125 125 THR C C 175.568 0.400 1 788 125 125 THR CA C 67.872 0.400 1 789 125 125 THR CG2 C 23.266 0.400 1 790 125 125 THR N N 115.084 0.400 1 791 126 126 LEU H H 8.728 0.020 1 792 126 126 LEU HA H 4.085 0.020 1 793 126 126 LEU HG H 1.542 0.020 1 794 126 126 LEU HD1 H 0.999 0.020 1 795 126 126 LEU HD2 H 0.781 0.020 1 796 126 126 LEU C C 178.559 0.400 1 797 126 126 LEU CA C 58.843 0.400 1 798 126 126 LEU CB C 41.421 0.400 1 799 126 126 LEU CD1 C 22.885 0.400 1 800 126 126 LEU CD2 C 26.863 0.400 1 801 126 126 LEU N N 125.011 0.400 1 802 127 127 ARG H H 8.213 0.020 1 803 127 127 ARG HA H 3.929 0.020 1 804 127 127 ARG C C 177.984 0.400 1 805 127 127 ARG CA C 60.685 0.400 1 806 127 127 ARG CB C 28.079 0.400 1 807 127 127 ARG N N 117.076 0.400 1 808 128 128 GLU H H 8.478 0.020 1 809 128 128 GLU HA H 4.147 0.020 1 810 128 128 GLU C C 181.150 0.400 1 811 128 128 GLU CA C 59.508 0.400 1 812 128 128 GLU N N 118.617 0.400 1 813 129 129 PHE H H 8.570 0.020 1 814 129 129 PHE HA H 4.104 0.020 1 815 129 129 PHE HD1 H 7.233 0.020 1 816 129 129 PHE HD2 H 7.233 0.020 1 817 129 129 PHE HE1 H 7.586 0.020 1 818 129 129 PHE HE2 H 7.586 0.020 1 819 129 129 PHE C C 177.170 0.400 1 820 129 129 PHE CA C 63.694 0.400 1 821 129 129 PHE CD1 C 131.800 0.400 1 822 129 129 PHE CD2 C 131.800 0.400 1 823 129 129 PHE CE1 C 131.100 0.400 1 824 129 129 PHE CE2 C 131.100 0.400 1 825 129 129 PHE N N 119.267 0.400 1 826 130 130 PHE H H 8.740 0.020 1 827 130 130 PHE HA H 3.884 0.020 1 828 130 130 PHE HB2 H 3.234 0.020 2 829 130 130 PHE HB3 H 2.884 0.020 2 830 130 130 PHE C C 175.860 0.400 1 831 130 130 PHE CA C 62.819 0.400 1 832 130 130 PHE N N 118.739 0.400 1 833 131 131 ASN H H 8.864 0.020 1 834 131 131 ASN HA H 4.373 0.020 1 835 131 131 ASN HB2 H 2.900 0.020 2 836 131 131 ASN HB3 H 2.746 0.020 2 837 131 131 ASN C C 178.228 0.400 1 838 131 131 ASN CA C 55.150 0.400 1 839 131 131 ASN N N 116.028 0.400 1 840 132 132 ALA H H 7.745 0.020 1 841 132 132 ALA HA H 4.020 0.020 1 842 132 132 ALA HB H 1.579 0.020 1 843 132 132 ALA C C 178.515 0.400 1 844 132 132 ALA CA C 54.924 0.400 1 845 132 132 ALA CB C 18.441 0.400 1 846 132 132 ALA N N 120.922 0.400 1 847 133 133 ILE H H 7.999 0.020 1 848 133 133 ILE HA H 3.235 0.020 1 849 133 133 ILE HB H 1.382 0.020 1 850 133 133 ILE HG2 H 0.651 0.020 1 851 133 133 ILE HD1 H 0.946 0.020 1 852 133 133 ILE C C 180.606 0.400 1 853 133 133 ILE CA C 65.215 0.400 1 854 133 133 ILE CB C 38.291 0.400 1 855 133 133 ILE CG1 C 29.762 0.400 1 856 133 133 ILE CG2 C 18.905 0.400 1 857 133 133 ILE CD1 C 15.174 0.400 1 858 133 133 ILE N N 118.200 0.400 1 859 134 134 ILE H H 8.670 0.020 1 860 134 134 ILE HA H 3.788 0.020 1 861 134 134 ILE HB H 1.272 0.020 1 862 134 134 ILE HG2 H 0.687 0.020 1 863 134 134 ILE HD1 H 0.662 0.020 1 864 134 134 ILE C C 177.215 0.400 1 865 134 134 ILE CA C 63.584 0.400 1 866 134 134 ILE CB C 35.636 0.400 1 867 134 134 ILE CG2 C 17.424 0.400 1 868 134 134 ILE CD1 C 13.237 0.400 1 869 134 134 ILE N N 122.564 0.400 1 870 135 135 ALA H H 6.898 0.020 1 871 135 135 ALA HA H 4.357 0.020 1 872 135 135 ALA HB H 1.469 0.020 1 873 135 135 ALA C C 177.786 0.400 1 874 135 135 ALA CA C 51.521 0.400 1 875 135 135 ALA CB C 18.839 0.400 1 876 135 135 ALA N N 119.989 0.400 1 877 136 136 GLY H H 7.913 0.020 1 878 136 136 GLY HA2 H 4.595 0.020 1 879 136 136 GLY C C 176.324 0.400 1 880 136 136 GLY CA C 45.469 0.400 1 881 136 136 GLY N N 107.682 0.400 1 882 137 137 LYS H H 8.312 0.020 1 883 137 137 LYS HA H 4.004 0.020 1 884 137 137 LYS C C 176.616 0.400 1 885 137 137 LYS CA C 57.499 0.400 1 886 137 137 LYS CB C 30.927 0.400 1 887 137 137 LYS N N 117.213 0.400 1 888 138 138 ASP H H 8.465 0.020 1 889 138 138 ASP HA H 3.061 0.020 1 890 138 138 ASP HB2 H 1.515 0.020 2 891 138 138 ASP HB3 H 0.157 0.020 2 892 138 138 ASP C C 174.698 0.400 1 893 138 138 ASP CA C 53.694 0.400 1 894 138 138 ASP CB C 36.008 0.400 1 895 138 138 ASP N N 113.545 0.400 1 896 139 139 VAL H H 6.610 0.020 1 897 139 139 VAL HA H 3.886 0.020 1 898 139 139 VAL HB H 2.077 0.020 1 899 139 139 VAL HG1 H 0.846 0.020 1 900 139 139 VAL HG2 H 0.886 0.020 1 901 139 139 VAL C C 175.889 0.400 1 902 139 139 VAL CA C 62.793 0.400 1 903 139 139 VAL CB C 30.662 0.400 1 904 139 139 VAL CG1 C 20.532 0.400 1 905 139 139 VAL CG2 C 19.906 0.400 1 906 139 139 VAL N N 115.191 0.400 1 907 140 140 ASP H H 7.553 0.020 1 908 140 140 ASP C C 175.234 0.400 1 909 140 140 ASP CA C 50.221 0.400 1 910 140 140 ASP CB C 42.254 0.400 1 911 140 140 ASP N N 123.363 0.400 1 912 141 141 PRO HA H 4.682 0.020 1 913 141 141 PRO HB2 H 2.469 0.020 2 914 141 141 PRO HB3 H 2.074 0.020 2 915 141 141 PRO C C 178.678 0.400 1 916 141 141 PRO CA C 64.532 0.400 1 917 141 141 PRO CB C 31.331 0.400 1 918 142 142 SER H H 8.703 0.020 1 919 142 142 SER HA H 4.565 0.020 1 920 142 142 SER HB2 H 3.979 0.020 1 921 142 142 SER HB3 H 3.979 0.020 1 922 142 142 SER C C 176.524 0.400 1 923 142 142 SER CA C 58.711 0.400 1 924 142 142 SER CB C 62.783 0.400 1 925 142 142 SER N N 114.421 0.400 1 926 143 143 TRP H H 8.374 0.020 1 927 143 143 TRP HA H 4.136 0.020 1 928 143 143 TRP HD1 H 7.771 0.020 1 929 143 143 TRP HE1 H 10.404 0.020 1 930 143 143 TRP HE3 H 6.945 0.020 1 931 143 143 TRP HZ2 H 7.501 0.020 1 932 143 143 TRP HZ3 H 6.569 0.020 1 933 143 143 TRP HH2 H 7.022 0.020 1 934 143 143 TRP C C 177.113 0.400 1 935 143 143 TRP CA C 59.803 0.400 1 936 143 143 TRP CB C 26.364 0.400 1 937 143 143 TRP CD1 C 128.937 0.400 1 938 143 143 TRP CE3 C 122.326 0.400 1 939 143 143 TRP CZ2 C 114.051 0.400 1 940 143 143 TRP CZ3 C 121.706 0.400 1 941 143 143 TRP CH2 C 123.218 0.400 1 942 143 143 TRP N N 123.598 0.400 1 943 143 143 TRP NE1 N 131.019 0.400 1 944 144 144 LYS H H 7.196 0.020 1 945 144 144 LYS HA H 2.719 0.020 1 946 144 144 LYS C C 177.243 0.400 1 947 144 144 LYS CA C 58.851 0.400 1 948 144 144 LYS CB C 29.373 0.400 1 949 144 144 LYS N N 119.293 0.400 1 950 145 145 LYS H H 7.389 0.020 1 951 145 145 LYS HA H 3.490 0.020 1 952 145 145 LYS HB2 H 1.761 0.020 1 953 145 145 LYS HB3 H 1.761 0.020 1 954 145 145 LYS C C 179.149 0.400 1 955 145 145 LYS CA C 59.271 0.400 1 956 145 145 LYS CB C 30.521 0.400 1 957 145 145 LYS N N 116.440 0.400 1 958 146 146 ALA H H 7.112 0.020 1 959 146 146 ALA HA H 3.932 0.020 1 960 146 146 ALA HB H 1.355 0.020 1 961 146 146 ALA C C 179.968 0.400 1 962 146 146 ALA CA C 54.241 0.400 1 963 146 146 ALA CB C 17.689 0.400 1 964 146 146 ALA N N 118.582 0.400 1 965 147 147 ILE H H 6.734 0.020 1 966 147 147 ILE HA H 3.642 0.020 1 967 147 147 ILE HB H 1.406 0.020 1 968 147 147 ILE HG12 H 1.356 0.020 2 969 147 147 ILE HG13 H 0.721 0.020 2 970 147 147 ILE HG2 H 0.737 0.020 1 971 147 147 ILE HD1 H -0.090 0.020 1 972 147 147 ILE C C 178.919 0.400 1 973 147 147 ILE CA C 64.418 0.400 1 974 147 147 ILE CB C 36.519 0.400 1 975 147 147 ILE CG2 C 17.249 0.400 1 976 147 147 ILE CD1 C 13.086 0.400 1 977 147 147 ILE N N 118.537 0.400 1 978 148 148 TYR H H 8.126 0.020 1 979 148 148 TYR HA H 4.489 0.020 1 980 148 148 TYR HD1 H 6.713 0.020 1 981 148 148 TYR HD2 H 6.699 0.020 1 982 148 148 TYR HE1 H 5.945 0.020 1 983 148 148 TYR HE2 H 5.945 0.020 1 984 148 148 TYR C C 178.348 0.400 1 985 148 148 TYR CA C 57.389 0.400 1 986 148 148 TYR CB C 35.280 0.400 1 987 148 148 TYR CD1 C 131.333 0.400 1 988 148 148 TYR CD2 C 131.333 0.400 1 989 148 148 TYR CE1 C 117.938 0.400 1 990 148 148 TYR CE2 C 117.938 0.400 1 991 148 148 TYR N N 121.033 0.400 1 992 149 149 LYS H H 7.364 0.020 1 993 149 149 LYS C C 178.051 0.400 1 994 149 149 LYS CA C 59.036 0.400 1 995 149 149 LYS CB C 31.575 0.400 1 996 149 149 LYS N N 114.484 0.400 1 997 150 150 VAL H H 7.254 0.020 1 998 150 150 VAL HA H 3.770 0.020 1 999 150 150 VAL HB H 2.303 0.020 1 1000 150 150 VAL HG1 H 1.023 0.020 1 1001 150 150 VAL HG2 H 0.970 0.020 1 1002 150 150 VAL C C 178.786 0.400 1 1003 150 150 VAL CA C 65.070 0.400 1 1004 150 150 VAL CB C 29.515 0.400 1 1005 150 150 VAL CG1 C 20.809 0.400 1 1006 150 150 VAL CG2 C 21.547 0.400 1 1007 150 150 VAL N N 117.812 0.400 1 1008 151 151 ILE H H 8.154 0.020 1 1009 151 151 ILE HB H 2.647 0.020 1 1010 151 151 ILE HG2 H 1.210 0.020 1 1011 151 151 ILE HD1 H 0.864 0.020 1 1012 151 151 ILE C C 180.539 0.400 1 1013 151 151 ILE CA C 61.490 0.400 1 1014 151 151 ILE CB C 33.994 0.400 1 1015 151 151 ILE CG2 C 18.368 0.400 1 1016 151 151 ILE CD1 C 10.153 0.400 1 1017 151 151 ILE N N 117.884 0.400 1 1018 152 152 CYS H H 8.711 0.020 1 1019 152 152 CYS HA H 4.153 0.020 1 1020 152 152 CYS HB2 H 2.147 0.020 2 1021 152 152 CYS HB3 H 1.897 0.020 2 1022 152 152 CYS C C 174.888 0.400 1 1023 152 152 CYS CA C 61.052 0.400 1 1024 152 152 CYS CB C 36.364 0.400 1 1025 152 152 CYS N N 118.649 0.400 1 1026 153 153 LYS H H 6.782 0.020 1 1027 153 153 LYS C C 177.389 0.400 1 1028 153 153 LYS CA C 56.243 0.400 1 1029 153 153 LYS CB C 31.343 0.400 1 1030 153 153 LYS N N 118.498 0.400 1 1031 154 154 LEU H H 7.616 0.020 1 1032 154 154 LEU HA H 4.576 0.020 1 1033 154 154 LEU HG H 1.804 0.020 1 1034 154 154 LEU HD1 H 1.019 0.020 1 1035 154 154 LEU HD2 H 0.778 0.020 1 1036 154 154 LEU C C 177.161 0.400 1 1037 154 154 LEU CA C 53.782 0.400 1 1038 154 154 LEU CB C 40.881 0.400 1 1039 154 154 LEU CD1 C 27.613 0.400 1 1040 154 154 LEU CD2 C 22.133 0.400 1 1041 154 154 LEU N N 117.318 0.400 1 1042 155 155 ASP H H 7.582 0.020 1 1043 155 155 ASP C C 177.094 0.400 1 1044 155 155 ASP CA C 55.732 0.400 1 1045 155 155 ASP CB C 40.139 0.400 1 1046 155 155 ASP N N 121.564 0.400 1 1047 156 156 SER H H 8.846 0.020 1 1048 156 156 SER HA H 4.818 0.020 1 1049 156 156 SER HB2 H 4.220 0.020 2 1050 156 156 SER HB3 H 3.988 0.020 2 1051 156 156 SER C C 173.409 0.400 1 1052 156 156 SER CA C 57.073 0.400 1 1053 156 156 SER CB C 65.150 0.400 1 1054 156 156 SER N N 117.352 0.400 1 1055 157 157 GLU H H 8.356 0.020 1 1056 157 157 GLU HA H 4.038 0.020 1 1057 157 157 GLU HB2 H 1.870 0.020 1 1058 157 157 GLU HB3 H 1.870 0.020 1 1059 157 157 GLU C C 176.332 0.400 1 1060 157 157 GLU CA C 56.464 0.400 1 1061 157 157 GLU CB C 29.206 0.400 1 1062 157 157 GLU N N 120.688 0.400 1 1063 158 158 VAL H H 8.561 0.020 1 1064 158 158 VAL HA H 3.449 0.020 1 1065 158 158 VAL HB H 1.372 0.020 1 1066 158 158 VAL HG1 H 0.177 0.020 1 1067 158 158 VAL HG2 H 0.511 0.020 1 1068 158 158 VAL C C 176.382 0.400 1 1069 158 158 VAL CA C 59.584 0.400 1 1070 158 158 VAL CB C 31.160 0.400 1 1071 158 158 VAL CG1 C 22.794 0.400 1 1072 158 158 VAL CG2 C 22.614 0.400 1 1073 158 158 VAL N N 126.906 0.400 1 1074 159 159 PRO HA H 4.403 0.020 1 1075 159 159 PRO HB2 H 2.202 0.020 2 1076 159 159 PRO HB3 H 1.986 0.020 2 1077 159 159 PRO C C 176.757 0.400 1 1078 159 159 PRO CA C 63.845 0.400 1 1079 159 159 PRO CB C 32.106 0.400 1 1080 159 159 PRO CG C 27.458 0.400 1 1081 159 159 PRO CD C 51.267 0.400 1 1082 160 160 GLU H H 8.650 0.020 1 1083 160 160 GLU HA H 4.008 0.020 1 1084 160 160 GLU HB2 H 2.074 0.020 1 1085 160 160 GLU HB3 H 2.074 0.020 1 1086 160 160 GLU C C 179.132 0.400 1 1087 160 160 GLU CA C 59.407 0.400 1 1088 160 160 GLU CB C 28.991 0.400 1 1089 160 160 GLU N N 122.904 0.400 1 1090 161 161 ILE H H 8.448 0.020 1 1091 161 161 ILE HA H 4.146 0.020 1 1092 161 161 ILE HB H 1.865 0.020 1 1093 161 161 ILE HG12 H 1.252 0.020 2 1094 161 161 ILE HG13 H 1.102 0.020 2 1095 161 161 ILE HG2 H 0.722 0.020 1 1096 161 161 ILE HD1 H 0.825 0.020 1 1097 161 161 ILE C C 176.176 0.400 1 1098 161 161 ILE CA C 62.034 0.400 1 1099 161 161 ILE CB C 37.113 0.400 1 1100 161 161 ILE CG1 C 28.796 0.400 1 1101 161 161 ILE CG2 C 18.464 0.400 1 1102 161 161 ILE CD1 C 13.982 0.400 1 1103 161 161 ILE N N 119.782 0.400 1 1104 162 162 PHE H H 8.145 0.020 1 1105 162 162 PHE C C 176.115 0.400 1 1106 162 162 PHE CA C 61.009 0.400 1 1107 162 162 PHE CB C 38.394 0.400 1 1108 162 162 PHE N N 117.594 0.400 1 1109 163 163 LYS H H 8.232 0.020 1 1110 163 163 LYS C C 178.196 0.400 1 1111 163 163 LYS CA C 58.136 0.400 1 1112 163 163 LYS CB C 31.694 0.400 1 1113 163 163 LYS N N 116.083 0.400 1 1114 164 164 SER H H 7.708 0.020 1 1115 164 164 SER CA C 55.205 0.400 1 1116 164 164 SER CB C 63.265 0.400 1 1117 164 164 SER N N 113.680 0.400 1 1118 165 165 PRO HA H 4.580 0.020 1 1119 165 165 PRO HB2 H 2.252 0.020 2 1120 165 165 PRO HB3 H 1.965 0.020 2 1121 165 165 PRO C C 177.541 0.400 1 1122 165 165 PRO CA C 63.950 0.400 1 1123 165 165 PRO CB C 30.686 0.400 1 1124 166 166 ASN H H 8.216 0.020 1 1125 166 166 ASN HA H 5.029 0.020 1 1126 166 166 ASN HB2 H 2.943 0.020 2 1127 166 166 ASN HB3 H 2.499 0.020 2 1128 166 166 ASN C C 175.811 0.400 1 1129 166 166 ASN CA C 51.962 0.400 1 1130 166 166 ASN CB C 37.915 0.400 1 1131 166 166 ASN N N 116.304 0.400 1 1132 167 167 CYS H H 7.246 0.020 1 1133 167 167 CYS HA H 4.011 0.020 1 1134 167 167 CYS HB2 H 3.329 0.020 2 1135 167 167 CYS HB3 H 2.530 0.020 2 1136 167 167 CYS C C 175.057 0.400 1 1137 167 167 CYS CA C 59.816 0.400 1 1138 167 167 CYS CB C 27.446 0.400 1 1139 167 167 CYS N N 116.078 0.400 1 1140 168 168 LEU H H 8.451 0.020 1 1141 168 168 LEU HA H 3.880 0.020 1 1142 168 168 LEU HB2 H 1.735 0.020 2 1143 168 168 LEU HB3 H 1.432 0.020 2 1144 168 168 LEU HD1 H 0.307 0.020 1 1145 168 168 LEU HD2 H 0.792 0.020 1 1146 168 168 LEU C C 178.541 0.400 1 1147 168 168 LEU CA C 57.734 0.400 1 1148 168 168 LEU CB C 38.825 0.400 1 1149 168 168 LEU CD1 C 25.677 0.400 1 1150 168 168 LEU CD2 C 23.468 0.400 1 1151 168 168 LEU N N 120.082 0.400 1 1152 169 169 GLN H H 7.665 0.020 1 1153 169 169 GLN HA H 4.064 0.020 1 1154 169 169 GLN HB2 H 2.081 0.020 1 1155 169 169 GLN HB3 H 2.081 0.020 1 1156 169 169 GLN C C 177.378 0.400 1 1157 169 169 GLN CA C 57.675 0.400 1 1158 169 169 GLN CB C 27.710 0.400 1 1159 169 169 GLN N N 116.700 0.400 1 1160 170 170 GLU H H 7.405 0.020 1 1161 170 170 GLU HA H 4.214 0.020 1 1162 170 170 GLU HB2 H 2.033 0.020 2 1163 170 170 GLU HB3 H 1.826 0.020 2 1164 170 170 GLU C C 177.730 0.400 1 1165 170 170 GLU CA C 56.899 0.400 1 1166 170 170 GLU N N 116.701 0.400 1 1167 171 171 LEU H H 7.823 0.020 1 1168 171 171 LEU HA H 4.209 0.020 1 1169 171 171 LEU HB2 H 1.602 0.020 2 1170 171 171 LEU HB3 H 1.548 0.020 2 1171 171 171 LEU HG H 1.503 0.020 1 1172 171 171 LEU HD1 H 0.882 0.020 1 1173 171 171 LEU HD2 H 0.661 0.020 1 1174 171 171 LEU C C 177.005 0.400 1 1175 171 171 LEU CA C 55.870 0.400 1 1176 171 171 LEU CB C 43.680 0.400 1 1177 171 171 LEU CD1 C 25.906 0.400 1 1178 171 171 LEU CD2 C 22.670 0.400 1 1179 171 171 LEU N N 118.021 0.400 1 1180 172 172 LEU H H 7.306 0.020 1 1181 172 172 LEU HA H 4.571 0.020 1 1182 172 172 LEU HB2 H 1.694 0.020 2 1183 172 172 LEU HB3 H 1.367 0.020 2 1184 172 172 LEU HG H 1.029 0.020 1 1185 172 172 LEU HD1 H 0.756 0.020 1 1186 172 172 LEU HD2 H 0.844 0.020 1 1187 172 172 LEU C C 176.411 0.400 1 1188 172 172 LEU CA C 53.972 0.400 1 1189 172 172 LEU CB C 40.483 0.400 1 1190 172 172 LEU CG C 25.690 0.400 1 1191 172 172 LEU CD1 C 22.477 0.400 1 1192 172 172 LEU CD2 C 25.711 0.400 1 1193 172 172 LEU N N 117.580 0.400 1 1194 173 173 HIS H H 8.028 0.020 1 1195 173 173 HIS C C 179.022 0.400 1 1196 173 173 HIS CA C 56.693 0.400 1 1197 173 173 HIS CB C 29.371 0.400 1 1198 173 173 HIS N N 123.310 0.400 1 stop_ save_