data_15329 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of Tubulin polymerization-promoting protein family member 3 from Homo sapiens. Northeast Structural Genomics target HR387. ; _BMRB_accession_number 15329 _BMRB_flat_file_name bmr15329.str _Entry_type original _Submission_date 2007-06-25 _Accession_date 2007-06-25 _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 Aramini James M. . 2 Rossi Paolo . . 3 Shastry Ritu . . 4 Nwosu Chioma . . 5 Cunningham Kellie . . 6 Xiao Rong . . 7 Liu Jinfeng . . 8 Baran Michael C. . 9 Rajan P. K. . 10 Acton Thomas B. . 11 Rost Burkhard . . 12 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" 944 "13C chemical shifts" 755 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-07-19 original author . stop_ _Original_release_date 2007-07-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of Tubulin polymerization-promoting protein family member 3 from Homo sapiens. Northeast Structural Genomics target HR387.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID TBA loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aramini James M. . 2 Rossi Paolo . . 3 Shastry Ritu . . 4 Nwosu Chioma . . 5 Cunningham Kellie . . 6 Xiao Rong . . 7 Liu Jinfeng . . 8 Baran Michael C. . 9 Rajan P. K. . 10 Acton Thomas B. . 11 Rost Burkhard . . 12 Montelione Gaetano T. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'Human TPPP3' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hr387 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hr387 $hr387 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_hr387 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hr387 _Molecular_mass 20075.820 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 184 _Mol_residue_sequence ; MAASTDIAGLEESFRKFAIH GDPKASGQEMNGKNWAKLCK DCKVADGKSVTGTDVDIVFS KVKGKSARVINYEEFKKALE ELATKRFKGKSKEEAFDAIC QLVAGKEPANVGVTKAKTGG AVDRLTDTSRYTGSHKERFD ESGKGKGIAGRQDILDDSGY VSAYKNAGTYDAKVKKLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 SER 5 THR 6 ASP 7 ILE 8 ALA 9 GLY 10 LEU 11 GLU 12 GLU 13 SER 14 PHE 15 ARG 16 LYS 17 PHE 18 ALA 19 ILE 20 HIS 21 GLY 22 ASP 23 PRO 24 LYS 25 ALA 26 SER 27 GLY 28 GLN 29 GLU 30 MET 31 ASN 32 GLY 33 LYS 34 ASN 35 TRP 36 ALA 37 LYS 38 LEU 39 CYS 40 LYS 41 ASP 42 CYS 43 LYS 44 VAL 45 ALA 46 ASP 47 GLY 48 LYS 49 SER 50 VAL 51 THR 52 GLY 53 THR 54 ASP 55 VAL 56 ASP 57 ILE 58 VAL 59 PHE 60 SER 61 LYS 62 VAL 63 LYS 64 GLY 65 LYS 66 SER 67 ALA 68 ARG 69 VAL 70 ILE 71 ASN 72 TYR 73 GLU 74 GLU 75 PHE 76 LYS 77 LYS 78 ALA 79 LEU 80 GLU 81 GLU 82 LEU 83 ALA 84 THR 85 LYS 86 ARG 87 PHE 88 LYS 89 GLY 90 LYS 91 SER 92 LYS 93 GLU 94 GLU 95 ALA 96 PHE 97 ASP 98 ALA 99 ILE 100 CYS 101 GLN 102 LEU 103 VAL 104 ALA 105 GLY 106 LYS 107 GLU 108 PRO 109 ALA 110 ASN 111 VAL 112 GLY 113 VAL 114 THR 115 LYS 116 ALA 117 LYS 118 THR 119 GLY 120 GLY 121 ALA 122 VAL 123 ASP 124 ARG 125 LEU 126 THR 127 ASP 128 THR 129 SER 130 ARG 131 TYR 132 THR 133 GLY 134 SER 135 HIS 136 LYS 137 GLU 138 ARG 139 PHE 140 ASP 141 GLU 142 SER 143 GLY 144 LYS 145 GLY 146 LYS 147 GLY 148 ILE 149 ALA 150 GLY 151 ARG 152 GLN 153 ASP 154 ILE 155 LEU 156 ASP 157 ASP 158 SER 159 GLY 160 TYR 161 VAL 162 SER 163 ALA 164 TYR 165 LYS 166 ASN 167 ALA 168 GLY 169 THR 170 TYR 171 ASP 172 ALA 173 LYS 174 VAL 175 LYS 176 LYS 177 LEU 178 GLU 179 HIS 180 HIS 181 HIS 182 HIS 183 HIS 184 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JRF "Solution Nmr Structure Of Tubulin Polymerization-Promoting Protein Family Member 3 From Homo Sapiens. Northeast Structural Geno" 100.00 184 100.00 100.00 1.33e-129 DBJ BAB26493 "unnamed protein product [Mus musculus]" 95.65 176 97.16 99.43 9.48e-120 DBJ BAB28237 "unnamed protein product [Mus musculus]" 95.65 176 97.16 99.43 9.48e-120 DBJ BAE32991 "unnamed protein product [Mus musculus]" 95.65 176 97.16 99.43 9.48e-120 DBJ BAE35831 "unnamed protein product [Mus musculus]" 95.65 176 97.16 99.43 9.48e-120 GB AAD27747 "CGI-38 protein [Homo sapiens]" 95.65 176 98.86 100.00 3.27e-121 GB AAH00691 "Tubulin polymerization-promoting protein family member 3 [Homo sapiens]" 95.65 176 99.43 100.00 1.61e-121 GB AAH10788 "Tubulin polymerization-promoting protein family member 3 [Mus musculus]" 95.65 176 97.16 99.43 9.48e-120 GB ADQ33176 "tubulin polymerization-promoting protein family member 3 [synthetic construct]" 95.65 176 99.43 100.00 1.61e-121 GB AIC51554 "TPPP3, partial [synthetic construct]" 95.65 176 99.43 100.00 1.61e-121 REF NP_001181772 "tubulin polymerization-promoting protein family member 3 [Macaca mulatta]" 95.65 176 98.86 99.43 7.76e-121 REF NP_057048 "tubulin polymerization-promoting protein family member 3 [Homo sapiens]" 95.65 176 99.43 100.00 1.61e-121 REF NP_057224 "tubulin polymerization-promoting protein family member 3 [Homo sapiens]" 95.65 176 99.43 100.00 1.61e-121 REF NP_080757 "tubulin polymerization-promoting protein family member 3 [Mus musculus]" 95.65 176 97.16 99.43 9.48e-120 REF XP_001496480 "PREDICTED: tubulin polymerization-promoting protein family member 3 isoform X1 [Equus caballus]" 95.65 176 97.73 100.00 4.27e-120 SP Q9BW30 "RecName: Full=Tubulin polymerization-promoting protein family member 3; AltName: Full=TPPP/p20" 95.65 176 99.43 100.00 1.61e-121 SP Q9CRB6 "RecName: Full=Tubulin polymerization-promoting protein family member 3" 95.65 176 97.16 99.43 9.48e-120 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 $hr387 Human 9606 Eukaryota Metazoa Homo sapiens TPPP3 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $hr387 'recombinant technology' . Escherichia coli BL21(DE3)MK HR387-21 ; C-terminal tag: LEHHHHHH. The protein is a monomer by gel filtration and static light scattering ; 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 $hr387 1.04 mM '[U-100% 13C; U-100% 15N]' 'ammonium acetate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 10 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hr387 0.7 mM '[U-5% 13C; U-100% 15N]' 'ammonium acetate' 20 mM 'natural abundance' 'calcium chloride' 100 mM 'natural abundance' DTT 10 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.4.0 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 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 2.11.2 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' 'structure validation' stop_ _Details . save_ save_PdbStat _Saveframe_category software _Name PDBStat _Version 5.0 loop_ _Vendor _Address _Electronic_address 'Tejero and Montelione' . . stop_ loop_ _Task 'PDB analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'dihedral angle constraints' 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_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_high_res._16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC high res.' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.5 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' '3D HNCO' '3D HN(CA)CO' '3D HN(CO)CACB' '3D HNCACB' '3D C(CO)NH-TOCSY' '3D CCH-TOCSY' '3D CCH-TOCSY aromatic' '3D HCCH-COSY' '3D HCCH-TOCSY' 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 hr387 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.052 0.02 1 2 2 2 ALA HB H 1.512 0.02 1 3 2 2 ALA CA C 51.863 0.15 1 4 2 2 ALA CB C 19.535 0.15 1 5 3 3 ALA HA H 4.404 0.02 1 6 3 3 ALA HB H 1.415 0.02 1 7 3 3 ALA C C 177.841 0.15 1 8 3 3 ALA CA C 52.503 0.15 1 9 3 3 ALA CB C 19.326 0.15 1 10 4 4 SER H H 8.489 0.02 1 11 4 4 SER HA H 4.481 0.02 1 12 4 4 SER HB2 H 3.905 0.02 2 13 4 4 SER HB3 H 3.903 0.02 2 14 4 4 SER C C 174.827 0.15 1 15 4 4 SER CA C 58.554 0.15 1 16 4 4 SER CB C 63.787 0.15 1 17 4 4 SER N N 115.637 0.15 1 18 5 5 THR H H 8.151 0.02 1 19 5 5 THR HA H 4.377 0.02 1 20 5 5 THR HB H 4.307 0.02 1 21 5 5 THR HG2 H 1.199 0.02 1 22 5 5 THR C C 174.241 0.15 1 23 5 5 THR CA C 61.688 0.15 1 24 5 5 THR CB C 69.713 0.15 1 25 5 5 THR CG2 C 21.602 0.15 1 26 5 5 THR N N 114.988 0.15 1 27 6 6 ASP H H 8.294 0.02 1 28 6 6 ASP HA H 4.750 0.02 1 29 6 6 ASP HB2 H 2.710 0.02 2 30 6 6 ASP HB3 H 2.710 0.02 2 31 6 6 ASP C C 176.096 0.15 1 32 6 6 ASP CA C 54.095 0.15 1 33 6 6 ASP CB C 41.666 0.15 1 34 6 6 ASP N N 123.697 0.15 1 35 7 7 ILE H H 8.173 0.02 1 36 7 7 ILE HA H 4.060 0.02 1 37 7 7 ILE HB H 1.842 0.02 1 38 7 7 ILE HD1 H 0.858 0.02 1 39 7 7 ILE HG12 H 1.503 0.02 2 40 7 7 ILE HG13 H 1.303 0.02 2 41 7 7 ILE HG2 H 0.907 0.02 1 42 7 7 ILE C C 176.209 0.15 1 43 7 7 ILE CA C 61.320 0.15 1 44 7 7 ILE CB C 38.499 0.15 1 45 7 7 ILE CD1 C 13.354 0.15 1 46 7 7 ILE CG1 C 27.551 0.15 1 47 7 7 ILE CG2 C 17.988 0.15 1 48 7 7 ILE N N 121.510 0.15 1 49 8 8 ALA H H 8.555 0.02 1 50 8 8 ALA HA H 4.251 0.02 1 51 8 8 ALA HB H 1.404 0.02 1 52 8 8 ALA C C 178.620 0.15 1 53 8 8 ALA CA C 53.852 0.15 1 54 8 8 ALA CB C 18.215 0.15 1 55 8 8 ALA N N 130.264 0.15 1 56 9 9 GLY H H 8.444 0.02 1 57 9 9 GLY HA2 H 4.224 0.02 2 58 9 9 GLY HA3 H 3.943 0.02 2 59 9 9 GLY C C 176.093 0.15 1 60 9 9 GLY CA C 46.073 0.15 1 61 9 9 GLY N N 109.591 0.15 1 62 10 10 LEU H H 7.994 0.02 1 63 10 10 LEU HA H 4.244 0.02 1 64 10 10 LEU HB2 H 2.493 0.02 2 65 10 10 LEU HB3 H 1.433 0.02 2 66 10 10 LEU HD1 H 1.198 0.02 1 67 10 10 LEU HD2 H 1.149 0.02 1 68 10 10 LEU HG H 2.226 0.02 1 69 10 10 LEU C C 177.392 0.15 1 70 10 10 LEU CA C 59.118 0.15 1 71 10 10 LEU CB C 42.581 0.15 1 72 10 10 LEU CD1 C 23.749 0.15 1 73 10 10 LEU CD2 C 25.938 0.15 1 74 10 10 LEU CG C 27.534 0.15 1 75 10 10 LEU N N 124.841 0.15 1 76 11 11 GLU H H 8.755 0.02 1 77 11 11 GLU HA H 3.745 0.02 1 78 11 11 GLU HB2 H 1.792 0.02 2 79 11 11 GLU HB3 H 1.792 0.02 2 80 11 11 GLU HG2 H 1.881 0.02 2 81 11 11 GLU HG3 H 1.263 0.02 2 82 11 11 GLU C C 178.782 0.15 1 83 11 11 GLU CA C 59.675 0.15 1 84 11 11 GLU CB C 28.973 0.15 1 85 11 11 GLU CG C 35.576 0.15 1 86 11 11 GLU N N 121.614 0.15 1 87 12 12 GLU H H 8.616 0.02 1 88 12 12 GLU HA H 4.136 0.02 1 89 12 12 GLU HB2 H 2.117 0.02 2 90 12 12 GLU HB3 H 1.968 0.02 2 91 12 12 GLU HG2 H 2.386 0.02 2 92 12 12 GLU HG3 H 2.312 0.02 2 93 12 12 GLU C C 179.198 0.15 1 94 12 12 GLU CA C 59.462 0.15 1 95 12 12 GLU CB C 29.181 0.15 1 96 12 12 GLU CG C 36.495 0.15 1 97 12 12 GLU N N 119.280 0.15 1 98 13 13 SER H H 8.089 0.02 1 99 13 13 SER HA H 4.416 0.02 1 100 13 13 SER HB2 H 4.244 0.02 2 101 13 13 SER HB3 H 4.073 0.02 2 102 13 13 SER HG H 6.314 0.02 1 103 13 13 SER C C 175.701 0.15 1 104 13 13 SER CA C 64.685 0.15 1 105 13 13 SER CB C 63.361 0.15 1 106 13 13 SER N N 117.005 0.15 1 107 14 14 PHE H H 8.552 0.02 1 108 14 14 PHE HA H 3.574 0.02 1 109 14 14 PHE HB2 H 3.357 0.02 2 110 14 14 PHE HB3 H 2.673 0.02 2 111 14 14 PHE HE1 H 7.136 0.02 2 112 14 14 PHE HE2 H 7.136 0.02 2 113 14 14 PHE HZ H 7.050 0.02 1 114 14 14 PHE C C 175.877 0.15 1 115 14 14 PHE CA C 62.396 0.15 1 116 14 14 PHE CB C 38.547 0.15 1 117 14 14 PHE CE1 C 131.427 0.15 2 118 14 14 PHE CE2 C 131.427 0.15 2 119 14 14 PHE CZ C 128.736 0.15 1 120 14 14 PHE N N 122.693 0.15 1 121 15 15 ARG H H 8.294 0.02 1 122 15 15 ARG HA H 3.853 0.02 1 123 15 15 ARG HB2 H 2.022 0.02 2 124 15 15 ARG HB3 H 1.984 0.02 2 125 15 15 ARG HD2 H 3.258 0.02 2 126 15 15 ARG HD3 H 3.186 0.02 2 127 15 15 ARG HG2 H 1.849 0.02 2 128 15 15 ARG HG3 H 1.751 0.02 2 129 15 15 ARG C C 178.377 0.15 1 130 15 15 ARG CA C 59.619 0.15 1 131 15 15 ARG CB C 30.119 0.15 1 132 15 15 ARG CD C 43.272 0.15 1 133 15 15 ARG CG C 27.530 0.15 1 134 15 15 ARG N N 118.266 0.15 1 135 16 16 LYS H H 8.142 0.02 1 136 16 16 LYS HA H 3.824 0.02 1 137 16 16 LYS HB2 H 1.934 0.02 2 138 16 16 LYS HB3 H 1.564 0.02 2 139 16 16 LYS HD2 H 1.684 0.02 2 140 16 16 LYS HD3 H 1.683 0.02 2 141 16 16 LYS HE2 H 2.921 0.02 2 142 16 16 LYS HE3 H 2.920 0.02 2 143 16 16 LYS HG2 H 1.772 0.02 2 144 16 16 LYS HG3 H 1.379 0.02 2 145 16 16 LYS C C 180.102 0.15 1 146 16 16 LYS CA C 59.907 0.15 1 147 16 16 LYS CB C 33.296 0.15 1 148 16 16 LYS CD C 30.023 0.15 1 149 16 16 LYS CE C 42.271 0.15 1 150 16 16 LYS CG C 26.425 0.15 1 151 16 16 LYS N N 115.823 0.15 1 152 17 17 PHE H H 8.257 0.02 1 153 17 17 PHE HA H 4.059 0.02 1 154 17 17 PHE HB2 H 2.897 0.02 2 155 17 17 PHE HB3 H 2.805 0.02 2 156 17 17 PHE HD1 H 7.522 0.02 2 157 17 17 PHE HD2 H 7.522 0.02 2 158 17 17 PHE HE1 H 7.243 0.02 2 159 17 17 PHE HE2 H 7.243 0.02 2 160 17 17 PHE HZ H 6.992 0.02 1 161 17 17 PHE C C 177.798 0.15 1 162 17 17 PHE CA C 62.258 0.15 1 163 17 17 PHE CB C 40.078 0.15 1 164 17 17 PHE CD1 C 132.595 0.15 2 165 17 17 PHE CD2 C 132.595 0.15 2 166 17 17 PHE CE1 C 131.275 0.15 2 167 17 17 PHE CE2 C 131.275 0.15 2 168 17 17 PHE CZ C 129.855 0.15 1 169 17 17 PHE N N 115.197 0.15 1 170 18 18 ALA H H 8.801 0.02 1 171 18 18 ALA HA H 3.768 0.02 1 172 18 18 ALA HB H 0.974 0.02 1 173 18 18 ALA C C 179.688 0.15 1 174 18 18 ALA CA C 56.121 0.15 1 175 18 18 ALA CB C 17.631 0.15 1 176 18 18 ALA N N 122.746 0.15 1 177 19 19 ILE H H 7.497 0.02 1 178 19 19 ILE HA H 4.178 0.02 1 179 19 19 ILE HB H 2.222 0.02 1 180 19 19 ILE HD1 H 0.779 0.02 1 181 19 19 ILE HG12 H 1.497 0.02 2 182 19 19 ILE HG13 H 1.169 0.02 2 183 19 19 ILE HG2 H 0.838 0.02 1 184 19 19 ILE C C 176.008 0.15 1 185 19 19 ILE CA C 61.733 0.15 1 186 19 19 ILE CB C 37.825 0.15 1 187 19 19 ILE CD1 C 13.799 0.15 1 188 19 19 ILE CG1 C 25.716 0.15 1 189 19 19 ILE CG2 C 17.077 0.15 1 190 19 19 ILE N N 107.993 0.15 1 191 20 20 HIS H H 7.073 0.02 1 192 20 20 HIS HA H 4.049 0.02 1 193 20 20 HIS HB2 H 3.176 0.02 2 194 20 20 HIS HB3 H 2.902 0.02 2 195 20 20 HIS HE1 H 7.685 0.02 1 196 20 20 HIS C C 177.057 0.15 1 197 20 20 HIS CA C 59.497 0.15 1 198 20 20 HIS CB C 29.958 0.15 1 199 20 20 HIS CE1 C 138.7 0.15 1 200 20 20 HIS N N 122.852 0.15 1 201 21 21 GLY H H 8.383 0.02 1 202 21 21 GLY HA2 H 3.928 0.02 2 203 21 21 GLY HA3 H 3.422 0.02 2 204 21 21 GLY C C 173.719 0.15 1 205 21 21 GLY CA C 45.472 0.15 1 206 21 21 GLY N N 114.776 0.15 1 207 22 22 ASP H H 7.751 0.02 1 208 22 22 ASP HA H 5.101 0.02 1 209 22 22 ASP HB2 H 2.898 0.02 2 210 22 22 ASP HB3 H 2.417 0.02 2 211 22 22 ASP C C 173.835 0.15 1 212 22 22 ASP CA C 50.945 0.15 1 213 22 22 ASP CB C 42.111 0.15 1 214 22 22 ASP N N 118.197 0.15 1 215 23 23 PRO HA H 4.448 0.02 1 216 23 23 PRO HB2 H 2.389 0.02 2 217 23 23 PRO HB3 H 1.975 0.02 2 218 23 23 PRO HD2 H 3.909 0.02 2 219 23 23 PRO HD3 H 3.659 0.02 2 220 23 23 PRO HG2 H 2.012 0.02 2 221 23 23 PRO HG3 H 1.981 0.02 2 222 23 23 PRO C C 177.531 0.15 1 223 23 23 PRO CA C 64.096 0.15 1 224 23 23 PRO CB C 32.516 0.15 1 225 23 23 PRO CD C 50.684 0.15 1 226 23 23 PRO CG C 26.977 0.15 1 227 24 24 LYS H H 8.109 0.02 1 228 24 24 LYS HA H 4.373 0.02 1 229 24 24 LYS HB2 H 1.970 0.02 2 230 24 24 LYS HB3 H 1.834 0.02 2 231 24 24 LYS HD2 H 1.677 0.02 2 232 24 24 LYS HD3 H 1.670 0.02 2 233 24 24 LYS HE2 H 2.98 0.02 2 234 24 24 LYS HE3 H 2.98 0.02 2 235 24 24 LYS HG2 H 1.440 0.02 2 236 24 24 LYS HG3 H 1.373 0.02 2 237 24 24 LYS C C 176.640 0.15 1 238 24 24 LYS CA C 55.417 0.15 1 239 24 24 LYS CB C 32.130 0.15 1 240 24 24 LYS CD C 28.989 0.15 1 241 24 24 LYS CE C 42.145 0.15 1 242 24 24 LYS CG C 25.216 0.15 1 243 24 24 LYS N N 116.383 0.15 1 244 25 25 ALA H H 7.514 0.02 1 245 25 25 ALA HA H 4.266 0.02 1 246 25 25 ALA HB H 1.641 0.02 1 247 25 25 ALA C C 177.876 0.15 1 248 25 25 ALA CA C 52.548 0.15 1 249 25 25 ALA CB C 19.609 0.15 1 250 25 25 ALA N N 124.096 0.15 1 251 26 26 SER H H 8.713 0.02 1 252 26 26 SER HA H 4.322 0.02 1 253 26 26 SER HB2 H 4.053 0.02 2 254 26 26 SER HB3 H 4.054 0.02 2 255 26 26 SER C C 176.830 0.15 1 256 26 26 SER CA C 59.282 0.15 1 257 26 26 SER CB C 64.574 0.15 1 258 26 26 SER N N 115.261 0.15 1 259 27 27 GLY H H 8.656 0.02 1 260 27 27 GLY HA2 H 4.189 0.02 2 261 27 27 GLY HA3 H 3.471 0.02 2 262 27 27 GLY C C 172.434 0.15 1 263 27 27 GLY CA C 45.918 0.15 1 264 27 27 GLY N N 111.388 0.15 1 265 28 28 GLN H H 8.083 0.02 1 266 28 28 GLN HA H 4.476 0.02 1 267 28 28 GLN HB2 H 2.367 0.02 2 268 28 28 GLN HB3 H 1.940 0.02 2 269 28 28 GLN HE21 H 7.569 0.02 1 270 28 28 GLN HE22 H 6.894 0.02 1 271 28 28 GLN HG2 H 2.370 0.02 2 272 28 28 GLN HG3 H 2.365 0.02 2 273 28 28 GLN C C 176.132 0.15 1 274 28 28 GLN CA C 56.115 0.15 1 275 28 28 GLN CB C 30.370 0.15 1 276 28 28 GLN CD C 180.154 0.15 1 277 28 28 GLN CG C 34.312 0.15 1 278 28 28 GLN N N 114.576 0.15 1 279 28 28 GLN NE2 N 112.435 0.15 1 280 29 29 GLU H H 7.795 0.02 1 281 29 29 GLU HA H 5.160 0.02 1 282 29 29 GLU HB2 H 1.910 0.02 2 283 29 29 GLU HB3 H 1.792 0.02 2 284 29 29 GLU HG2 H 2.136 0.02 2 285 29 29 GLU HG3 H 2.139 0.02 2 286 29 29 GLU C C 173.899 0.15 1 287 29 29 GLU CA C 54.522 0.15 1 288 29 29 GLU CB C 33.147 0.15 1 289 29 29 GLU CG C 36.029 0.15 1 290 29 29 GLU N N 115.846 0.15 1 291 30 30 MET H H 9.612 0.02 1 292 30 30 MET HA H 4.956 0.02 1 293 30 30 MET HB2 H 2.201 0.02 2 294 30 30 MET HB3 H 1.696 0.02 2 295 30 30 MET HE H 1.669 0.02 1 296 30 30 MET HG2 H 3.183 0.02 2 297 30 30 MET HG3 H 2.125 0.02 2 298 30 30 MET C C 174.721 0.15 1 299 30 30 MET CA C 54.114 0.15 1 300 30 30 MET CB C 38.035 0.15 1 301 30 30 MET CE C 19.930 0.15 1 302 30 30 MET CG C 33.821 0.15 1 303 30 30 MET N N 123.720 0.15 1 304 31 31 ASN H H 8.763 0.02 1 305 31 31 ASN HA H 5.297 0.02 1 306 31 31 ASN HB2 H 3.528 0.02 2 307 31 31 ASN HB3 H 2.996 0.02 2 308 31 31 ASN HD21 H 7.532 0.02 1 309 31 31 ASN HD22 H 6.952 0.02 1 310 31 31 ASN C C 174.715 0.15 1 311 31 31 ASN CA C 51.966 0.15 1 312 31 31 ASN CB C 38.621 0.15 1 313 31 31 ASN CG C 175.147 0.15 1 314 31 31 ASN N N 124.642 0.15 1 315 31 31 ASN ND2 N 111.241 0.15 1 316 32 32 GLY H H 8.778 0.02 1 317 32 32 GLY HA2 H 3.115 0.02 2 318 32 32 GLY HA3 H 2.484 0.02 2 319 32 32 GLY C C 177.072 0.15 1 320 32 32 GLY CA C 46.523 0.15 1 321 32 32 GLY N N 106.657 0.15 1 322 33 33 LYS H H 7.992 0.02 1 323 33 33 LYS HA H 4.114 0.02 1 324 33 33 LYS HB2 H 1.855 0.02 2 325 33 33 LYS HB3 H 1.812 0.02 2 326 33 33 LYS HG2 H 1.506 0.02 2 327 33 33 LYS HG3 H 1.443 0.02 2 328 33 33 LYS C C 179.550 0.15 1 329 33 33 LYS CA C 59.101 0.15 1 330 33 33 LYS CB C 31.994 0.15 1 331 33 33 LYS CD C 29.310 0.15 1 332 33 33 LYS CE C 42.130 0.15 1 333 33 33 LYS CG C 24.693 0.15 1 334 33 33 LYS N N 123.984 0.15 1 335 34 34 ASN H H 8.761 0.02 1 336 34 34 ASN HA H 4.872 0.02 1 337 34 34 ASN HB2 H 2.881 0.02 2 338 34 34 ASN HB3 H 2.883 0.02 2 339 34 34 ASN HD21 H 7.411 0.02 1 340 34 34 ASN HD22 H 7.600 0.02 1 341 34 34 ASN C C 177.855 0.15 1 342 34 34 ASN CA C 55.972 0.15 1 343 34 34 ASN CB C 37.508 0.15 1 344 34 34 ASN CG C 176.017 0.15 1 345 34 34 ASN N N 122.267 0.15 1 346 34 34 ASN ND2 N 112.472 0.15 1 347 35 35 TRP H H 8.324 0.02 1 348 35 35 TRP HA H 5.132 0.02 1 349 35 35 TRP HB2 H 3.354 0.02 2 350 35 35 TRP HB3 H 3.143 0.02 2 351 35 35 TRP HD1 H 7.415 0.02 1 352 35 35 TRP HE1 H 10.038 0.02 1 353 35 35 TRP HE3 H 7.926 0.02 1 354 35 35 TRP HH2 H 6.586 0.02 1 355 35 35 TRP HZ2 H 7.067 0.02 1 356 35 35 TRP HZ3 H 6.985 0.02 1 357 35 35 TRP C C 177.116 0.15 1 358 35 35 TRP CA C 59.713 0.15 1 359 35 35 TRP CB C 30.522 0.15 1 360 35 35 TRP CD1 C 129.055 0.15 1 361 35 35 TRP CE3 C 120.821 0.15 1 362 35 35 TRP CH2 C 124.210 0.15 1 363 35 35 TRP CZ2 C 113.961 0.15 1 364 35 35 TRP CZ3 C 121.662 0.15 1 365 35 35 TRP N N 125.156 0.15 1 366 35 35 TRP NE1 N 129.531 0.15 1 367 36 36 ALA H H 7.909 0.02 1 368 36 36 ALA HA H 3.488 0.02 1 369 36 36 ALA HB H 1.416 0.02 1 370 36 36 ALA C C 180.487 0.15 1 371 36 36 ALA CA C 55.257 0.15 1 372 36 36 ALA CB C 17.875 0.15 1 373 36 36 ALA N N 121.978 0.15 1 374 37 37 LYS H H 8.018 0.02 1 375 37 37 LYS HA H 3.998 0.02 1 376 37 37 LYS HB2 H 2.120 0.02 2 377 37 37 LYS HB3 H 1.925 0.02 2 378 37 37 LYS HD2 H 1.717 0.02 2 379 37 37 LYS HD3 H 1.496 0.02 2 380 37 37 LYS HE2 H 2.466 0.02 2 381 37 37 LYS HE3 H 2.315 0.02 2 382 37 37 LYS HG2 H 1.585 0.02 2 383 37 37 LYS HG3 H 1.287 0.02 2 384 37 37 LYS C C 177.182 0.15 1 385 37 37 LYS CA C 59.563 0.15 1 386 37 37 LYS CB C 32.489 0.15 1 387 37 37 LYS CD C 29.687 0.15 1 388 37 37 LYS CE C 41.901 0.15 1 389 37 37 LYS CG C 25.361 0.15 1 390 37 37 LYS N N 119.941 0.15 1 391 38 38 LEU H H 8.235 0.02 1 392 38 38 LEU HA H 2.985 0.02 1 393 38 38 LEU HB2 H 1.730 0.02 2 394 38 38 LEU HB3 H 1.115 0.02 2 395 38 38 LEU HD1 H 0.823 0.02 1 396 38 38 LEU HD2 H 0.699 0.02 1 397 38 38 LEU HG H 0.696 0.02 1 398 38 38 LEU C C 179.600 0.15 1 399 38 38 LEU CA C 59.611 0.15 1 400 38 38 LEU CB C 41.198 0.15 1 401 38 38 LEU CD1 C 28.465 0.15 1 402 38 38 LEU CD2 C 24.818 0.15 1 403 38 38 LEU CG C 27.070 0.15 1 404 38 38 LEU N N 121.740 0.15 1 405 39 39 CYS H H 7.949 0.02 1 406 39 39 CYS HA H 3.426 0.02 1 407 39 39 CYS HB2 H 2.443 0.02 2 408 39 39 CYS HB3 H 1.737 0.02 2 409 39 39 CYS C C 177.393 0.15 1 410 39 39 CYS CA C 65.001 0.15 1 411 39 39 CYS CB C 27.009 0.15 1 412 39 39 CYS N N 115.829 0.15 1 413 40 40 LYS H H 7.986 0.02 1 414 40 40 LYS HA H 4.114 0.02 1 415 40 40 LYS HB2 H 1.931 0.02 2 416 40 40 LYS HB3 H 1.852 0.02 2 417 40 40 LYS HG2 H 1.42 0.02 2 418 40 40 LYS HG3 H 1.42 0.02 2 419 40 40 LYS C C 179.665 0.15 1 420 40 40 LYS CA C 59.425 0.15 1 421 40 40 LYS CB C 32.823 0.15 1 422 40 40 LYS CD C 29.375 0.15 1 423 40 40 LYS CE C 42.220 0.15 1 424 40 40 LYS CG C 24.731 0.15 1 425 40 40 LYS N N 122.692 0.15 1 426 41 41 ASP H H 9.520 0.02 1 427 41 41 ASP HA H 4.311 0.02 1 428 41 41 ASP HB2 H 2.942 0.02 2 429 41 41 ASP HB3 H 2.862 0.02 2 430 41 41 ASP C C 179.073 0.15 1 431 41 41 ASP CA C 57.848 0.15 1 432 41 41 ASP CB C 40.167 0.15 1 433 41 41 ASP N N 123.442 0.15 1 434 42 42 CYS H H 8.070 0.02 1 435 42 42 CYS HA H 4.305 0.02 1 436 42 42 CYS HB2 H 3.030 0.02 2 437 42 42 CYS HB3 H 2.585 0.02 2 438 42 42 CYS C C 173.110 0.15 1 439 42 42 CYS CA C 59.987 0.15 1 440 42 42 CYS CB C 27.823 0.15 1 441 42 42 CYS N N 112.832 0.15 1 442 43 43 LYS H H 7.421 0.02 1 443 43 43 LYS HA H 3.722 0.02 1 444 43 43 LYS HB2 H 2.140 0.02 2 445 43 43 LYS HB3 H 1.952 0.02 2 446 43 43 LYS HD2 H 1.720 0.02 2 447 43 43 LYS HD3 H 1.637 0.02 2 448 43 43 LYS HE2 H 3.032 0.02 2 449 43 43 LYS HE3 H 3.026 0.02 2 450 43 43 LYS HG2 H 1.351 0.02 2 451 43 43 LYS HG3 H 1.341 0.02 2 452 43 43 LYS C C 176.408 0.15 1 453 43 43 LYS CA C 57.388 0.15 1 454 43 43 LYS CB C 28.388 0.15 1 455 43 43 LYS CD C 29.133 0.15 1 456 43 43 LYS CE C 42.506 0.15 1 457 43 43 LYS CG C 25.370 0.15 1 458 43 43 LYS N N 110.815 0.15 1 459 44 44 VAL H H 7.750 0.02 1 460 44 44 VAL HA H 3.186 0.02 1 461 44 44 VAL HB H 1.607 0.02 1 462 44 44 VAL HG1 H 0.712 0.02 1 463 44 44 VAL HG2 H 0.647 0.02 1 464 44 44 VAL C C 176.086 0.15 1 465 44 44 VAL CA C 66.840 0.15 1 466 44 44 VAL CB C 31.922 0.15 1 467 44 44 VAL CG1 C 21.663 0.15 1 468 44 44 VAL CG2 C 21.668 0.15 1 469 44 44 VAL N N 120.009 0.15 1 470 45 45 ALA H H 6.924 0.02 1 471 45 45 ALA HA H 4.153 0.02 1 472 45 45 ALA HB H 0.820 0.02 1 473 45 45 ALA C C 176.072 0.15 1 474 45 45 ALA CA C 50.329 0.15 1 475 45 45 ALA CB C 17.375 0.15 1 476 45 45 ALA N N 116.699 0.15 1 477 46 46 ASP H H 8.233 0.02 1 478 46 46 ASP HA H 4.418 0.02 1 479 46 46 ASP HB2 H 2.904 0.02 2 480 46 46 ASP HB3 H 2.342 0.02 2 481 46 46 ASP C C 177.288 0.15 1 482 46 46 ASP CA C 53.197 0.15 1 483 46 46 ASP CB C 40.586 0.15 1 484 46 46 ASP N N 123.301 0.15 1 485 47 47 GLY H H 8.530 0.02 1 486 47 47 GLY HA2 H 4.277 0.02 2 487 47 47 GLY HA3 H 3.594 0.02 2 488 47 47 GLY C C 173.067 0.15 1 489 47 47 GLY CA C 45.820 0.15 1 490 47 47 GLY N N 109.041 0.15 1 491 48 48 LYS H H 8.098 0.02 1 492 48 48 LYS HA H 4.386 0.02 1 493 48 48 LYS HB2 H 1.753 0.02 2 494 48 48 LYS HB3 H 1.617 0.02 2 495 48 48 LYS HD2 H 1.642 0.02 2 496 48 48 LYS HD3 H 1.635 0.02 2 497 48 48 LYS HE2 H 2.964 0.02 2 498 48 48 LYS HE3 H 2.972 0.02 2 499 48 48 LYS HG2 H 1.328 0.02 2 500 48 48 LYS HG3 H 1.289 0.02 2 501 48 48 LYS C C 175.602 0.15 1 502 48 48 LYS CA C 57.419 0.15 1 503 48 48 LYS CB C 34.509 0.15 1 504 48 48 LYS CD C 28.731 0.15 1 505 48 48 LYS CE C 42.152 0.15 1 506 48 48 LYS CG C 24.435 0.15 1 507 48 48 LYS N N 121.013 0.15 1 508 49 49 SER H H 9.559 0.02 1 509 49 49 SER HA H 4.377 0.02 1 510 49 49 SER HB2 H 3.994 0.02 2 511 49 49 SER HB3 H 3.989 0.02 2 512 49 49 SER C C 174.120 0.15 1 513 49 49 SER CA C 60.629 0.15 1 514 49 49 SER CB C 63.595 0.15 1 515 49 49 SER N N 119.793 0.15 1 516 50 50 VAL H H 7.998 0.02 1 517 50 50 VAL HA H 4.492 0.02 1 518 50 50 VAL HB H 2.284 0.02 1 519 50 50 VAL HG1 H 0.848 0.02 2 520 50 50 VAL HG2 H 0.788 0.02 2 521 50 50 VAL C C 175.341 0.15 1 522 50 50 VAL CA C 61.498 0.15 1 523 50 50 VAL CB C 34.992 0.15 1 524 50 50 VAL CG1 C 23.394 0.15 2 525 50 50 VAL CG2 C 22.878 0.15 2 526 50 50 VAL N N 122.354 0.15 1 527 51 51 THR H H 9.555 0.02 1 528 51 51 THR HA H 4.745 0.02 1 529 51 51 THR HB H 4.647 0.02 1 530 51 51 THR HG2 H 1.059 0.02 1 531 51 51 THR C C 175.935 0.15 1 532 51 51 THR CA C 59.413 0.15 1 533 51 51 THR CB C 72.375 0.15 1 534 51 51 THR CG2 C 20.983 0.15 1 535 51 51 THR N N 118.790 0.15 1 536 52 52 GLY H H 8.956 0.02 1 537 52 52 GLY HA2 H 3.961 0.02 2 538 52 52 GLY HA3 H 3.608 0.02 2 539 52 52 GLY C C 176.503 0.15 1 540 52 52 GLY CA C 47.172 0.15 1 541 52 52 GLY N N 107.398 0.15 1 542 53 53 THR H H 7.854 0.02 1 543 53 53 THR HA H 4.080 0.02 1 544 53 53 THR HB H 3.977 0.02 1 545 53 53 THR HG2 H 1.251 0.02 1 546 53 53 THR C C 175.992 0.15 1 547 53 53 THR CA C 66.220 0.15 1 548 53 53 THR CB C 68.713 0.15 1 549 53 53 THR CG2 C 22.085 0.15 1 550 53 53 THR N N 117.355 0.15 1 551 54 54 ASP H H 7.317 0.02 1 552 54 54 ASP HA H 4.340 0.02 1 553 54 54 ASP HB2 H 3.157 0.02 2 554 54 54 ASP HB3 H 2.495 0.02 2 555 54 54 ASP C C 178.874 0.15 1 556 54 54 ASP CA C 58.156 0.15 1 557 54 54 ASP CB C 41.680 0.15 1 558 54 54 ASP N N 120.994 0.15 1 559 55 55 VAL H H 7.592 0.02 1 560 55 55 VAL HA H 3.819 0.02 1 561 55 55 VAL HB H 2.402 0.02 1 562 55 55 VAL HG1 H 0.739 0.02 1 563 55 55 VAL HG2 H 0.871 0.02 1 564 55 55 VAL C C 178.865 0.15 1 565 55 55 VAL CA C 66.533 0.15 1 566 55 55 VAL CB C 31.936 0.15 1 567 55 55 VAL CG1 C 21.429 0.15 1 568 55 55 VAL CG2 C 21.744 0.15 1 569 55 55 VAL N N 117.272 0.15 1 570 56 56 ASP H H 7.761 0.02 1 571 56 56 ASP HA H 4.660 0.02 1 572 56 56 ASP HB2 H 2.871 0.02 2 573 56 56 ASP HB3 H 2.795 0.02 2 574 56 56 ASP C C 179.564 0.15 1 575 56 56 ASP CA C 57.662 0.15 1 576 56 56 ASP CB C 40.209 0.15 1 577 56 56 ASP N N 123.981 0.15 1 578 57 57 ILE H H 8.415 0.02 1 579 57 57 ILE HA H 3.865 0.02 1 580 57 57 ILE HB H 2.041 0.02 1 581 57 57 ILE HD1 H 0.861 0.02 1 582 57 57 ILE HG12 H 1.834 0.02 2 583 57 57 ILE HG13 H 1.216 0.02 2 584 57 57 ILE HG2 H 0.935 0.02 1 585 57 57 ILE C C 179.768 0.15 1 586 57 57 ILE CA C 65.012 0.15 1 587 57 57 ILE CB C 37.917 0.15 1 588 57 57 ILE CD1 C 13.325 0.15 1 589 57 57 ILE CG1 C 29.384 0.15 1 590 57 57 ILE CG2 C 17.159 0.15 1 591 57 57 ILE N N 122.305 0.15 1 592 58 58 VAL H H 8.191 0.02 1 593 58 58 VAL HA H 3.829 0.02 1 594 58 58 VAL HB H 2.290 0.02 1 595 58 58 VAL HG1 H 1.264 0.02 1 596 58 58 VAL HG2 H 1.223 0.02 1 597 58 58 VAL C C 176.657 0.15 1 598 58 58 VAL CA C 66.592 0.15 1 599 58 58 VAL CB C 31.499 0.15 1 600 58 58 VAL CG1 C 22.696 0.15 1 601 58 58 VAL CG2 C 24.079 0.15 1 602 58 58 VAL N N 119.680 0.15 1 603 59 59 PHE H H 7.573 0.02 1 604 59 59 PHE HA H 3.437 0.02 1 605 59 59 PHE HB2 H 3.341 0.02 2 606 59 59 PHE HB3 H 3.189 0.02 2 607 59 59 PHE HD1 H 6.689 0.02 2 608 59 59 PHE HD2 H 6.689 0.02 2 609 59 59 PHE HE1 H 7.012 0.02 2 610 59 59 PHE HE2 H 7.012 0.02 2 611 59 59 PHE HZ H 7.256 0.02 1 612 59 59 PHE C C 175.610 0.15 1 613 59 59 PHE CA C 62.430 0.15 1 614 59 59 PHE CB C 39.221 0.15 1 615 59 59 PHE CD1 C 132.185 0.15 2 616 59 59 PHE CD2 C 132.185 0.15 2 617 59 59 PHE CE1 C 131.365 0.15 2 618 59 59 PHE CE2 C 131.365 0.15 2 619 59 59 PHE CZ C 129.032 0.15 1 620 59 59 PHE N N 121.500 0.15 1 621 60 60 SER H H 7.404 0.02 1 622 60 60 SER HA H 3.972 0.02 1 623 60 60 SER HB2 H 4.069 0.02 2 624 60 60 SER HB3 H 4.066 0.02 2 625 60 60 SER C C 175.206 0.15 1 626 60 60 SER CA C 61.401 0.15 1 627 60 60 SER CB C 63.527 0.15 1 628 60 60 SER N N 109.413 0.15 1 629 61 61 LYS H H 7.806 0.02 1 630 61 61 LYS HA H 4.142 0.02 1 631 61 61 LYS HB2 H 1.904 0.02 2 632 61 61 LYS HB3 H 1.905 0.02 2 633 61 61 LYS HD2 H 1.559 0.02 2 634 61 61 LYS HD3 H 1.550 0.02 2 635 61 61 LYS HE2 H 2.900 0.02 2 636 61 61 LYS HE3 H 2.899 0.02 2 637 61 61 LYS HG2 H 1.354 0.02 2 638 61 61 LYS HG3 H 1.343 0.02 2 639 61 61 LYS C C 178.558 0.15 1 640 61 61 LYS CA C 58.642 0.15 1 641 61 61 LYS CB C 33.598 0.15 1 642 61 61 LYS CD C 29.547 0.15 1 643 61 61 LYS CE C 42.076 0.15 1 644 61 61 LYS CG C 25.223 0.15 1 645 61 61 LYS N N 120.745 0.15 1 646 62 62 VAL H H 7.543 0.02 1 647 62 62 VAL HA H 4.081 0.02 1 648 62 62 VAL HB H 2.045 0.02 1 649 62 62 VAL HG1 H 0.728 0.02 1 650 62 62 VAL HG2 H 0.659 0.02 1 651 62 62 VAL C C 175.692 0.15 1 652 62 62 VAL CA C 62.671 0.15 1 653 62 62 VAL CB C 32.164 0.15 1 654 62 62 VAL CG1 C 20.339 0.15 1 655 62 62 VAL CG2 C 18.719 0.15 1 656 62 62 VAL N N 110.797 0.15 1 657 63 63 LYS H H 6.834 0.02 1 658 63 63 LYS HA H 4.101 0.02 1 659 63 63 LYS HB2 H 1.384 0.02 2 660 63 63 LYS HB3 H 1.112 0.02 2 661 63 63 LYS HD2 H 1.146 0.02 2 662 63 63 LYS HD3 H 1.120 0.02 2 663 63 63 LYS HE2 H 3.180 0.02 2 664 63 63 LYS HE3 H 2.873 0.02 2 665 63 63 LYS HG2 H 1.228 0.02 2 666 63 63 LYS HG3 H 1.200 0.02 2 667 63 63 LYS C C 176.227 0.15 1 668 63 63 LYS CA C 55.117 0.15 1 669 63 63 LYS CB C 33.419 0.15 1 670 63 63 LYS CD C 28.989 0.15 1 671 63 63 LYS CE C 42.657 0.15 1 672 63 63 LYS CG C 21.848 0.15 1 673 63 63 LYS N N 118.576 0.15 1 674 64 64 GLY H H 8.946 0.02 1 675 64 64 GLY HA2 H 4.024 0.02 2 676 64 64 GLY HA3 H 3.788 0.02 2 677 64 64 GLY C C 175.638 0.15 1 678 64 64 GLY CA C 45.309 0.15 1 679 64 64 GLY N N 109.763 0.15 1 680 65 65 LYS H H 8.602 0.02 1 681 65 65 LYS HA H 4.105 0.02 1 682 65 65 LYS HB2 H 1.855 0.02 2 683 65 65 LYS HB3 H 1.852 0.02 2 684 65 65 LYS HG2 H 1.519 0.02 2 685 65 65 LYS HG3 H 1.519 0.02 2 686 65 65 LYS C C 178.225 0.15 1 687 65 65 LYS CA C 59.158 0.15 1 688 65 65 LYS CB C 32.340 0.15 1 689 65 65 LYS CD C 28.929 0.15 1 690 65 65 LYS CE C 42.214 0.15 1 691 65 65 LYS CG C 24.877 0.15 1 692 65 65 LYS N N 123.004 0.15 1 693 66 66 SER H H 8.540 0.02 1 694 66 66 SER HA H 4.524 0.02 1 695 66 66 SER HB2 H 3.946 0.02 2 696 66 66 SER HB3 H 3.943 0.02 2 697 66 66 SER C C 173.760 0.15 1 698 66 66 SER CA C 58.205 0.15 1 699 66 66 SER CB C 63.503 0.15 1 700 66 66 SER N N 112.660 0.15 1 701 67 67 ALA H H 7.643 0.02 1 702 67 67 ALA HA H 4.538 0.02 1 703 67 67 ALA HB H 1.539 0.02 1 704 67 67 ALA C C 177.700 0.15 1 705 67 67 ALA CA C 51.741 0.15 1 706 67 67 ALA CB C 21.498 0.15 1 707 67 67 ALA N N 124.324 0.15 1 708 68 68 ARG HA H 4.752 0.02 1 709 68 68 ARG HB2 H 2.172 0.02 2 710 68 68 ARG HB3 H 1.859 0.02 2 711 68 68 ARG HD2 H 3.286 0.02 2 712 68 68 ARG HD3 H 3.280 0.02 2 713 68 68 ARG HG2 H 1.714 0.02 2 714 68 68 ARG HG3 H 1.715 0.02 2 715 68 68 ARG C C 175.007 0.15 1 716 68 68 ARG CA C 55.394 0.15 1 717 68 68 ARG CB C 31.721 0.15 1 718 68 68 ARG CD C 43.349 0.15 1 719 68 68 ARG CG C 27.334 0.15 1 720 69 69 VAL H H 7.201 0.02 1 721 69 69 VAL HA H 5.336 0.02 1 722 69 69 VAL HB H 1.965 0.02 1 723 69 69 VAL HG1 H 0.871 0.02 1 724 69 69 VAL HG2 H 0.736 0.02 1 725 69 69 VAL C C 174.202 0.15 1 726 69 69 VAL CA C 58.375 0.15 1 727 69 69 VAL CB C 36.987 0.15 1 728 69 69 VAL CG1 C 21.742 0.15 1 729 69 69 VAL CG2 C 16.797 0.15 1 730 69 69 VAL N N 110.070 0.15 1 731 70 70 ILE H H 8.910 0.02 1 732 70 70 ILE HA H 5.014 0.02 1 733 70 70 ILE HB H 2.095 0.02 1 734 70 70 ILE HD1 H 0.571 0.02 1 735 70 70 ILE HG12 H 1.745 0.02 2 736 70 70 ILE HG13 H 1.439 0.02 2 737 70 70 ILE HG2 H 0.114 0.02 1 738 70 70 ILE C C 175.362 0.15 1 739 70 70 ILE CA C 59.216 0.15 1 740 70 70 ILE CB C 41.445 0.15 1 741 70 70 ILE CD1 C 12.687 0.15 1 742 70 70 ILE CG1 C 24.480 0.15 1 743 70 70 ILE CG2 C 17.071 0.15 1 744 70 70 ILE N N 111.898 0.15 1 745 71 71 ASN H H 8.666 0.02 1 746 71 71 ASN HA H 5.401 0.02 1 747 71 71 ASN HB2 H 3.508 0.02 2 748 71 71 ASN HB3 H 2.970 0.02 2 749 71 71 ASN HD21 H 7.318 0.02 1 750 71 71 ASN HD22 H 6.683 0.02 1 751 71 71 ASN C C 175.427 0.15 1 752 71 71 ASN CA C 50.409 0.15 1 753 71 71 ASN CB C 39.259 0.15 1 754 71 71 ASN N N 120.282 0.15 1 755 71 71 ASN ND2 N 109.985 0.15 1 756 72 72 TYR H H 8.660 0.02 1 757 72 72 TYR HA H 3.159 0.02 1 758 72 72 TYR HB2 H 2.635 0.02 2 759 72 72 TYR HB3 H 2.582 0.02 2 760 72 72 TYR HD1 H 6.541 0.02 2 761 72 72 TYR HD2 H 6.541 0.02 2 762 72 72 TYR HE1 H 6.666 0.02 2 763 72 72 TYR HE2 H 6.666 0.02 2 764 72 72 TYR C C 176.819 0.15 1 765 72 72 TYR CA C 60.524 0.15 1 766 72 72 TYR CB C 38.435 0.15 1 767 72 72 TYR CD1 C 133.301 0.15 2 768 72 72 TYR CD2 C 133.301 0.15 2 769 72 72 TYR CE1 C 117.248 0.15 2 770 72 72 TYR CE2 C 117.248 0.15 2 771 72 72 TYR N N 118.677 0.15 1 772 73 73 GLU H H 7.860 0.02 1 773 73 73 GLU HA H 3.612 0.02 1 774 73 73 GLU HB2 H 2.027 0.02 2 775 73 73 GLU HB3 H 2.005 0.02 2 776 73 73 GLU HG2 H 2.295 0.02 2 777 73 73 GLU HG3 H 2.294 0.02 2 778 73 73 GLU C C 180.343 0.15 1 779 73 73 GLU CA C 59.914 0.15 1 780 73 73 GLU CB C 28.785 0.15 1 781 73 73 GLU CG C 36.584 0.15 1 782 73 73 GLU N N 118.229 0.15 1 783 74 74 GLU H H 8.381 0.02 1 784 74 74 GLU HA H 3.692 0.02 1 785 74 74 GLU HB2 H 2.251 0.02 2 786 74 74 GLU HB3 H 1.482 0.02 2 787 74 74 GLU HG2 H 2.377 0.02 2 788 74 74 GLU HG3 H 2.272 0.02 2 789 74 74 GLU C C 177.944 0.15 1 790 74 74 GLU CA C 58.964 0.15 1 791 74 74 GLU CB C 29.226 0.15 1 792 74 74 GLU CG C 36.528 0.15 1 793 74 74 GLU N N 122.046 0.15 1 794 75 75 PHE H H 8.670 0.02 1 795 75 75 PHE HA H 3.926 0.02 1 796 75 75 PHE HB2 H 3.406 0.02 2 797 75 75 PHE HB3 H 3.109 0.02 2 798 75 75 PHE HD1 H 7.133 0.02 2 799 75 75 PHE HD2 H 7.133 0.02 2 800 75 75 PHE HZ H 7.369 0.02 1 801 75 75 PHE C C 176.335 0.15 1 802 75 75 PHE CA C 60.342 0.15 1 803 75 75 PHE CB C 38.934 0.15 1 804 75 75 PHE CD1 C 131.33 0.15 2 805 75 75 PHE CD2 C 131.33 0.15 2 806 75 75 PHE CZ C 129.00 0.15 1 807 75 75 PHE N N 121.900 0.15 1 808 76 76 LYS H H 7.846 0.02 1 809 76 76 LYS HA H 3.551 0.02 1 810 76 76 LYS HB2 H 1.805 0.02 2 811 76 76 LYS HB3 H 1.625 0.02 2 812 76 76 LYS HD2 H 1.694 0.02 2 813 76 76 LYS HD3 H 1.552 0.02 2 814 76 76 LYS HE2 H 2.724 0.02 2 815 76 76 LYS HE3 H 2.153 0.02 2 816 76 76 LYS HG2 H 1.232 0.02 2 817 76 76 LYS HG3 H 1.120 0.02 2 818 76 76 LYS C C 179.127 0.15 1 819 76 76 LYS CA C 61.523 0.15 1 820 76 76 LYS CB C 31.765 0.15 1 821 76 76 LYS CD C 29.421 0.15 1 822 76 76 LYS CE C 41.389 0.15 1 823 76 76 LYS CG C 26.967 0.15 1 824 76 76 LYS N N 119.084 0.15 1 825 77 77 LYS H H 7.409 0.02 1 826 77 77 LYS HA H 3.978 0.02 1 827 77 77 LYS HB2 H 1.951 0.02 2 828 77 77 LYS HB3 H 1.817 0.02 2 829 77 77 LYS HD2 H 1.604 0.02 2 830 77 77 LYS HD3 H 1.602 0.02 2 831 77 77 LYS HE2 H 2.889 0.02 2 832 77 77 LYS HE3 H 2.887 0.02 2 833 77 77 LYS HG2 H 1.513 0.02 2 834 77 77 LYS HG3 H 1.424 0.02 2 835 77 77 LYS C C 178.923 0.15 1 836 77 77 LYS CA C 58.719 0.15 1 837 77 77 LYS CB C 31.339 0.15 1 838 77 77 LYS CD C 28.653 0.15 1 839 77 77 LYS CE C 42.042 0.15 1 840 77 77 LYS CG C 24.820 0.15 1 841 77 77 LYS N N 119.219 0.15 1 842 78 78 ALA H H 8.406 0.02 1 843 78 78 ALA HA H 3.726 0.02 1 844 78 78 ALA HB H 1.048 0.02 1 845 78 78 ALA C C 179.704 0.15 1 846 78 78 ALA CA C 54.955 0.15 1 847 78 78 ALA CB C 18.134 0.15 1 848 78 78 ALA N N 124.668 0.15 1 849 79 79 LEU H H 8.036 0.02 1 850 79 79 LEU HA H 4.044 0.02 1 851 79 79 LEU HB2 H 2.026 0.02 2 852 79 79 LEU HB3 H 1.350 0.02 2 853 79 79 LEU HD1 H 0.520 0.02 1 854 79 79 LEU HD2 H 0.711 0.02 1 855 79 79 LEU HG H 1.438 0.02 1 856 79 79 LEU C C 179.473 0.15 1 857 79 79 LEU CA C 58.103 0.15 1 858 79 79 LEU CB C 41.053 0.15 1 859 79 79 LEU CD1 C 27.009 0.15 1 860 79 79 LEU CD2 C 21.670 0.15 1 861 79 79 LEU CG C 26.391 0.15 1 862 79 79 LEU N N 116.671 0.15 1 863 80 80 GLU H H 8.282 0.02 1 864 80 80 GLU HA H 3.888 0.02 1 865 80 80 GLU HB2 H 2.072 0.02 2 866 80 80 GLU HB3 H 1.945 0.02 2 867 80 80 GLU HG2 H 1.966 0.02 2 868 80 80 GLU HG3 H 1.839 0.02 2 869 80 80 GLU C C 178.628 0.15 1 870 80 80 GLU CA C 60.459 0.15 1 871 80 80 GLU CB C 29.578 0.15 1 872 80 80 GLU CG C 36.521 0.15 1 873 80 80 GLU N N 119.967 0.15 1 874 81 81 GLU H H 8.020 0.02 1 875 81 81 GLU HA H 4.074 0.02 1 876 81 81 GLU HB2 H 2.210 0.02 2 877 81 81 GLU HB3 H 2.102 0.02 2 878 81 81 GLU HG2 H 2.282 0.02 2 879 81 81 GLU HG3 H 2.135 0.02 2 880 81 81 GLU C C 179.511 0.15 1 881 81 81 GLU CA C 58.961 0.15 1 882 81 81 GLU CB C 29.369 0.15 1 883 81 81 GLU CG C 35.978 0.15 1 884 81 81 GLU N N 118.501 0.15 1 885 82 82 LEU H H 7.860 0.02 1 886 82 82 LEU HA H 4.198 0.02 1 887 82 82 LEU HB2 H 1.930 0.02 2 888 82 82 LEU HB3 H 1.241 0.02 2 889 82 82 LEU HD1 H 0.983 0.02 1 890 82 82 LEU HD2 H 0.864 0.02 1 891 82 82 LEU HG H 2.062 0.02 1 892 82 82 LEU C C 178.736 0.15 1 893 82 82 LEU CA C 56.194 0.15 1 894 82 82 LEU CB C 43.529 0.15 1 895 82 82 LEU CD1 C 27.225 0.15 1 896 82 82 LEU CD2 C 22.922 0.15 1 897 82 82 LEU CG C 26.577 0.15 1 898 82 82 LEU N N 116.618 0.15 1 899 83 83 ALA H H 8.324 0.02 1 900 83 83 ALA HA H 3.965 0.02 1 901 83 83 ALA HB H 1.699 0.02 1 902 83 83 ALA C C 178.429 0.15 1 903 83 83 ALA CA C 57.433 0.15 1 904 83 83 ALA CB C 17.916 0.15 1 905 83 83 ALA N N 123.232 0.15 1 906 84 84 THR H H 7.823 0.02 1 907 84 84 THR HA H 4.070 0.02 1 908 84 84 THR HB H 4.388 0.02 1 909 84 84 THR HG2 H 1.331 0.02 1 910 84 84 THR C C 175.552 0.15 1 911 84 84 THR CA C 63.781 0.15 1 912 84 84 THR CB C 68.728 0.15 1 913 84 84 THR CG2 C 22.087 0.15 1 914 84 84 THR N N 105.742 0.15 1 915 85 85 LYS H H 7.207 0.02 1 916 85 85 LYS HA H 4.156 0.02 1 917 85 85 LYS HB2 H 1.777 0.02 2 918 85 85 LYS HB3 H 1.777 0.02 2 919 85 85 LYS HD2 H 1.672 0.02 2 920 85 85 LYS HD3 H 1.668 0.02 2 921 85 85 LYS HE2 H 3.071 0.02 2 922 85 85 LYS HE3 H 3.067 0.02 2 923 85 85 LYS HG2 H 1.499 0.02 2 924 85 85 LYS HG3 H 1.489 0.02 2 925 85 85 LYS C C 177.174 0.15 1 926 85 85 LYS CA C 58.161 0.15 1 927 85 85 LYS CB C 33.563 0.15 1 928 85 85 LYS CD C 29.490 0.15 1 929 85 85 LYS CE C 42.145 0.15 1 930 85 85 LYS CG C 25.507 0.15 1 931 85 85 LYS N N 120.333 0.15 1 932 86 86 ARG H H 7.973 0.02 1 933 86 86 ARG HA H 4.030 0.02 1 934 86 86 ARG HB2 H 1.691 0.02 2 935 86 86 ARG HB3 H 1.544 0.02 2 936 86 86 ARG HD2 H 3.297 0.02 2 937 86 86 ARG HD3 H 3.226 0.02 2 938 86 86 ARG HE H 6.811 0.02 1 939 86 86 ARG HG2 H 0.951 0.02 2 940 86 86 ARG HG3 H 0.776 0.02 2 941 86 86 ARG C C 175.419 0.15 1 942 86 86 ARG CA C 55.160 0.15 1 943 86 86 ARG CB C 31.105 0.15 1 944 86 86 ARG CD C 41.194 0.15 1 945 86 86 ARG CG C 27.281 0.15 1 946 86 86 ARG N N 117.642 0.15 1 947 86 86 ARG NE N 83.401 0.15 1 948 87 87 PHE H H 7.807 0.02 1 949 87 87 PHE HA H 4.795 0.02 1 950 87 87 PHE HB2 H 2.922 0.02 2 951 87 87 PHE HB3 H 2.814 0.02 2 952 87 87 PHE HD1 H 7.329 0.02 2 953 87 87 PHE HD2 H 7.329 0.02 2 954 87 87 PHE HE1 H 7.053 0.02 2 955 87 87 PHE HE2 H 7.053 0.02 2 956 87 87 PHE HZ H 7.010 0.02 1 957 87 87 PHE C C 174.597 0.15 1 958 87 87 PHE CA C 56.487 0.15 1 959 87 87 PHE CB C 38.852 0.15 1 960 87 87 PHE CD1 C 132.300 0.15 2 961 87 87 PHE CD2 C 132.300 0.15 2 962 87 87 PHE CE1 C 131.282 0.15 2 963 87 87 PHE CE2 C 131.282 0.15 2 964 87 87 PHE CZ C 128.847 0.15 1 965 87 87 PHE N N 118.010 0.15 1 966 88 88 LYS H H 7.876 0.02 1 967 88 88 LYS HA H 4.279 0.02 1 968 88 88 LYS HB2 H 1.810 0.02 2 969 88 88 LYS HB3 H 1.808 0.02 2 970 88 88 LYS HD2 H 1.738 0.02 2 971 88 88 LYS HD3 H 1.730 0.02 2 972 88 88 LYS HE2 H 3.057 0.02 2 973 88 88 LYS HE3 H 3.056 0.02 2 974 88 88 LYS HG2 H 1.527 0.02 2 975 88 88 LYS HG3 H 1.486 0.02 2 976 88 88 LYS C C 178.179 0.15 1 977 88 88 LYS CA C 58.096 0.15 1 978 88 88 LYS CB C 32.625 0.15 1 979 88 88 LYS CD C 29.312 0.15 1 980 88 88 LYS CE C 42.191 0.15 1 981 88 88 LYS CG C 24.873 0.15 1 982 88 88 LYS N N 122.043 0.15 1 983 89 89 GLY H H 8.926 0.02 1 984 89 89 GLY HA2 H 4.192 0.02 2 985 89 89 GLY HA3 H 3.819 0.02 2 986 89 89 GLY C C 174.427 0.15 1 987 89 89 GLY CA C 45.432 0.15 1 988 89 89 GLY N N 111.980 0.15 1 989 90 90 LYS H H 7.442 0.02 1 990 90 90 LYS HA H 4.698 0.02 1 991 90 90 LYS HB2 H 1.897 0.02 2 992 90 90 LYS HB3 H 1.817 0.02 2 993 90 90 LYS HD2 H 1.425 0.02 2 994 90 90 LYS HD3 H 1.336 0.02 2 995 90 90 LYS HE2 H 2.950 0.02 2 996 90 90 LYS HE3 H 2.804 0.02 2 997 90 90 LYS HG2 H 1.444 0.02 2 998 90 90 LYS HG3 H 1.430 0.02 2 999 90 90 LYS C C 176.856 0.15 1 1000 90 90 LYS CA C 54.962 0.15 1 1001 90 90 LYS CB C 35.248 0.15 1 1002 90 90 LYS CD C 29.130 0.15 1 1003 90 90 LYS CE C 42.205 0.15 1 1004 90 90 LYS CG C 25.714 0.15 1 1005 90 90 LYS N N 118.958 0.15 1 1006 91 91 SER H H 8.913 0.02 1 1007 91 91 SER HA H 4.421 0.02 1 1008 91 91 SER HB2 H 4.359 0.02 2 1009 91 91 SER HB3 H 4.098 0.02 2 1010 91 91 SER C C 174.024 0.15 1 1011 91 91 SER CA C 58.040 0.15 1 1012 91 91 SER CB C 64.540 0.15 1 1013 91 91 SER N N 118.161 0.15 1 1014 92 92 LYS H H 8.924 0.02 1 1015 92 92 LYS HA H 3.872 0.02 1 1016 92 92 LYS HB2 H 1.900 0.02 2 1017 92 92 LYS HB3 H 1.798 0.02 2 1018 92 92 LYS HD2 H 1.675 0.02 2 1019 92 92 LYS HD3 H 1.674 0.02 2 1020 92 92 LYS HE2 H 2.934 0.02 2 1021 92 92 LYS HE3 H 2.938 0.02 2 1022 92 92 LYS HG2 H 1.475 0.02 2 1023 92 92 LYS HG3 H 1.418 0.02 2 1024 92 92 LYS C C 178.868 0.15 1 1025 92 92 LYS CA C 60.804 0.15 1 1026 92 92 LYS CB C 31.959 0.15 1 1027 92 92 LYS CD C 29.423 0.15 1 1028 92 92 LYS CE C 42.055 0.15 1 1029 92 92 LYS CG C 24.838 0.15 1 1030 92 92 LYS N N 121.867 0.15 1 1031 93 93 GLU H H 8.926 0.02 1 1032 93 93 GLU HA H 4.094 0.02 1 1033 93 93 GLU HB2 H 2.057 0.02 2 1034 93 93 GLU HB3 H 2.011 0.02 2 1035 93 93 GLU HG2 H 2.456 0.02 2 1036 93 93 GLU HG3 H 2.291 0.02 2 1037 93 93 GLU C C 179.473 0.15 1 1038 93 93 GLU CA C 60.471 0.15 1 1039 93 93 GLU CB C 28.884 0.15 1 1040 93 93 GLU CG C 37.002 0.15 1 1041 93 93 GLU N N 118.037 0.15 1 1042 94 94 GLU H H 7.714 0.02 1 1043 94 94 GLU HA H 4.079 0.02 1 1044 94 94 GLU HB2 H 2.189 0.02 2 1045 94 94 GLU HB3 H 1.932 0.02 2 1046 94 94 GLU HG2 H 2.375 0.02 2 1047 94 94 GLU HG3 H 2.257 0.02 2 1048 94 94 GLU C C 179.907 0.15 1 1049 94 94 GLU CA C 58.824 0.15 1 1050 94 94 GLU CB C 30.390 0.15 1 1051 94 94 GLU CG C 37.035 0.15 1 1052 94 94 GLU N N 120.156 0.15 1 1053 95 95 ALA H H 9.319 0.02 1 1054 95 95 ALA HA H 3.728 0.02 1 1055 95 95 ALA HB H 1.503 0.02 1 1056 95 95 ALA C C 178.531 0.15 1 1057 95 95 ALA CA C 55.014 0.15 1 1058 95 95 ALA CB C 18.203 0.15 1 1059 95 95 ALA N N 123.742 0.15 1 1060 96 96 PHE H H 8.329 0.02 1 1061 96 96 PHE HA H 4.350 0.02 1 1062 96 96 PHE HB2 H 3.342 0.02 2 1063 96 96 PHE HB3 H 3.115 0.02 2 1064 96 96 PHE HD1 H 7.107 0.02 2 1065 96 96 PHE HD2 H 7.107 0.02 2 1066 96 96 PHE HE1 H 7.273 0.02 2 1067 96 96 PHE HE2 H 7.273 0.02 2 1068 96 96 PHE HZ H 6.863 0.02 1 1069 96 96 PHE C C 177.612 0.15 1 1070 96 96 PHE CA C 60.237 0.15 1 1071 96 96 PHE CB C 38.469 0.15 1 1072 96 96 PHE CD1 C 131.447 0.15 2 1073 96 96 PHE CD2 C 131.447 0.15 2 1074 96 96 PHE CE1 C 131.917 0.15 2 1075 96 96 PHE CE2 C 131.917 0.15 2 1076 96 96 PHE CZ C 129.460 0.15 1 1077 96 96 PHE N N 119.042 0.15 1 1078 97 97 ASP H H 7.854 0.02 1 1079 97 97 ASP HA H 4.090 0.02 1 1080 97 97 ASP HB2 H 2.678 0.02 2 1081 97 97 ASP HB3 H 2.575 0.02 2 1082 97 97 ASP C C 178.034 0.15 1 1083 97 97 ASP CA C 58.057 0.15 1 1084 97 97 ASP CB C 40.601 0.15 1 1085 97 97 ASP N N 120.686 0.15 1 1086 98 98 ALA H H 7.731 0.02 1 1087 98 98 ALA HA H 3.728 0.02 1 1088 98 98 ALA HB H 0.380 0.02 1 1089 98 98 ALA C C 180.445 0.15 1 1090 98 98 ALA CA C 54.966 0.15 1 1091 98 98 ALA CB C 15.750 0.15 1 1092 98 98 ALA N N 119.983 0.15 1 1093 99 99 ILE H H 8.473 0.02 1 1094 99 99 ILE HA H 4.248 0.02 1 1095 99 99 ILE HB H 1.980 0.02 1 1096 99 99 ILE HD1 H 0.991 0.02 1 1097 99 99 ILE HG12 H 1.684 0.02 2 1098 99 99 ILE HG13 H 1.489 0.02 2 1099 99 99 ILE HG2 H 1.303 0.02 1 1100 99 99 ILE C C 176.906 0.15 1 1101 99 99 ILE CA C 65.497 0.15 1 1102 99 99 ILE CB C 38.443 0.15 1 1103 99 99 ILE CD1 C 15.112 0.15 1 1104 99 99 ILE CG1 C 31.745 0.15 1 1105 99 99 ILE CG2 C 18.336 0.15 1 1106 99 99 ILE N N 120.601 0.15 1 1107 100 100 CYS H H 7.790 0.02 1 1108 100 100 CYS HA H 3.890 0.02 1 1109 100 100 CYS HB2 H 2.933 0.02 2 1110 100 100 CYS HB3 H 2.323 0.02 2 1111 100 100 CYS C C 177.669 0.15 1 1112 100 100 CYS CA C 64.688 0.15 1 1113 100 100 CYS CB C 26.742 0.15 1 1114 100 100 CYS N N 120.908 0.15 1 1115 101 101 GLN H H 7.953 0.02 1 1116 101 101 GLN HA H 4.014 0.02 1 1117 101 101 GLN HB2 H 2.143 0.02 2 1118 101 101 GLN HB3 H 2.040 0.02 2 1119 101 101 GLN HE21 H 7.420 0.02 1 1120 101 101 GLN HE22 H 6.729 0.02 1 1121 101 101 GLN HG2 H 2.501 0.02 2 1122 101 101 GLN HG3 H 2.397 0.02 2 1123 101 101 GLN C C 178.073 0.15 1 1124 101 101 GLN CA C 58.317 0.15 1 1125 101 101 GLN CB C 28.213 0.15 1 1126 101 101 GLN CD C 180.077 0.15 1 1127 101 101 GLN CG C 34.148 0.15 1 1128 101 101 GLN N N 118.388 0.15 1 1129 101 101 GLN NE2 N 112.297 0.15 1 1130 102 102 LEU H H 7.304 0.02 1 1131 102 102 LEU HA H 4.158 0.02 1 1132 102 102 LEU HB2 H 2.125 0.02 2 1133 102 102 LEU HB3 H 1.902 0.02 2 1134 102 102 LEU HD1 H 0.956 0.02 1 1135 102 102 LEU HD2 H 0.955 0.02 1 1136 102 102 LEU HG H 2.088 0.02 1 1137 102 102 LEU C C 177.352 0.15 1 1138 102 102 LEU CA C 57.296 0.15 1 1139 102 102 LEU CB C 41.378 0.15 1 1140 102 102 LEU CD1 C 26.264 0.15 1 1141 102 102 LEU CD2 C 22.557 0.15 1 1142 102 102 LEU CG C 26.478 0.15 1 1143 102 102 LEU N N 117.292 0.15 1 1144 103 103 VAL H H 6.894 0.02 1 1145 103 103 VAL HA H 4.129 0.02 1 1146 103 103 VAL HB H 1.967 0.02 1 1147 103 103 VAL HG1 H 1.207 0.02 1 1148 103 103 VAL HG2 H 0.918 0.02 1 1149 103 103 VAL C C 175.920 0.15 1 1150 103 103 VAL CA C 63.207 0.15 1 1151 103 103 VAL CB C 34.240 0.15 1 1152 103 103 VAL CG1 C 22.289 0.15 1 1153 103 103 VAL CG2 C 21.945 0.15 1 1154 103 103 VAL N N 115.528 0.15 1 1155 104 104 ALA H H 8.214 0.02 1 1156 104 104 ALA HA H 3.869 0.02 1 1157 104 104 ALA HB H 1.377 0.02 1 1158 104 104 ALA C C 178.233 0.15 1 1159 104 104 ALA CA C 54.770 0.15 1 1160 104 104 ALA CB C 18.575 0.15 1 1161 104 104 ALA N N 120.161 0.15 1 1162 105 105 GLY H H 8.029 0.02 1 1163 105 105 GLY HA2 H 4.283 0.02 2 1164 105 105 GLY HA3 H 3.837 0.02 2 1165 105 105 GLY C C 174.721 0.15 1 1166 105 105 GLY CA C 45.523 0.15 1 1167 105 105 GLY N N 111.038 0.15 1 1168 106 106 LYS H H 8.104 0.02 1 1169 106 106 LYS HA H 4.632 0.02 1 1170 106 106 LYS HB2 H 2.354 0.02 2 1171 106 106 LYS HB3 H 1.942 0.02 2 1172 106 106 LYS HD2 H 1.770 0.02 2 1173 106 106 LYS HD3 H 1.668 0.02 2 1174 106 106 LYS HE2 H 3.050 0.02 2 1175 106 106 LYS HE3 H 3.050 0.02 2 1176 106 106 LYS HG2 H 1.671 0.02 2 1177 106 106 LYS HG3 H 1.345 0.02 2 1178 106 106 LYS C C 176.552 0.15 1 1179 106 106 LYS CA C 55.289 0.15 1 1180 106 106 LYS CB C 33.617 0.15 1 1181 106 106 LYS CD C 28.264 0.15 1 1182 106 106 LYS CE C 42.912 0.15 1 1183 106 106 LYS CG C 25.579 0.15 1 1184 106 106 LYS N N 120.751 0.15 1 1185 107 107 GLU H H 8.309 0.02 1 1186 107 107 GLU HA H 4.426 0.02 1 1187 107 107 GLU HB2 H 1.912 0.02 2 1188 107 107 GLU HB3 H 1.774 0.02 2 1189 107 107 GLU HG2 H 2.057 0.02 2 1190 107 107 GLU HG3 H 2.055 0.02 2 1191 107 107 GLU C C 172.710 0.15 1 1192 107 107 GLU CA C 53.219 0.15 1 1193 107 107 GLU CB C 30.859 0.15 1 1194 107 107 GLU CG C 35.390 0.15 1 1195 107 107 GLU N N 117.475 0.15 1 1196 108 108 PRO HA H 4.017 0.02 1 1197 108 108 PRO HB2 H 1.347 0.02 2 1198 108 108 PRO HB3 H 1.316 0.02 2 1199 108 108 PRO HD2 H 3.221 0.02 2 1200 108 108 PRO HD3 H 2.084 0.02 2 1201 108 108 PRO HG2 H 1.639 0.02 2 1202 108 108 PRO HG3 H 0.710 0.02 2 1203 108 108 PRO C C 176.141 0.15 1 1204 108 108 PRO CA C 62.538 0.15 1 1205 108 108 PRO CB C 31.318 0.15 1 1206 108 108 PRO CD C 49.354 0.15 1 1207 108 108 PRO CG C 26.850 0.15 1 1208 109 109 ALA H H 8.510 0.02 1 1209 109 109 ALA HA H 4.249 0.02 1 1210 109 109 ALA HB H 1.335 0.02 1 1211 109 109 ALA C C 177.850 0.15 1 1212 109 109 ALA CA C 52.208 0.15 1 1213 109 109 ALA CB C 19.406 0.15 1 1214 109 109 ALA N N 125.804 0.15 1 1215 110 110 ASN H H 8.615 0.02 1 1216 110 110 ASN HA H 4.766 0.02 1 1217 110 110 ASN HB2 H 2.820 0.02 2 1218 110 110 ASN HB3 H 2.745 0.02 2 1219 110 110 ASN HD21 H 7.601 0.02 1 1220 110 110 ASN HD22 H 6.929 0.02 1 1221 110 110 ASN C C 175.227 0.15 1 1222 110 110 ASN CA C 53.012 0.15 1 1223 110 110 ASN CB C 39.087 0.15 1 1224 110 110 ASN CG C 177.048 0.15 1 1225 110 110 ASN N N 119.874 0.15 1 1226 110 110 ASN ND2 N 113.130 0.15 1 1227 111 111 VAL H H 8.183 0.02 1 1228 111 111 VAL HA H 4.166 0.02 1 1229 111 111 VAL HB H 2.130 0.02 1 1230 111 111 VAL HG1 H 0.943 0.02 2 1231 111 111 VAL HG2 H 0.922 0.02 2 1232 111 111 VAL C C 176.563 0.15 1 1233 111 111 VAL CA C 62.442 0.15 1 1234 111 111 VAL CB C 32.672 0.15 1 1235 111 111 VAL CG1 C 21.237 0.15 2 1236 111 111 VAL CG2 C 20.427 0.15 2 1237 111 111 VAL N N 120.062 0.15 1 1238 112 112 GLY H H 8.475 0.02 1 1239 112 112 GLY HA2 H 3.975 0.02 2 1240 112 112 GLY HA3 H 3.964 0.02 2 1241 112 112 GLY C C 174.002 0.15 1 1242 112 112 GLY CA C 45.272 0.15 1 1243 112 112 GLY N N 112.357 0.15 1 1244 113 113 VAL H H 8.010 0.02 1 1245 113 113 VAL HA H 4.188 0.02 1 1246 113 113 VAL HB H 2.082 0.02 1 1247 113 113 VAL HG1 H 0.924 0.02 2 1248 113 113 VAL HG2 H 0.906 0.02 2 1249 113 113 VAL C C 176.454 0.15 1 1250 113 113 VAL CA C 62.292 0.15 1 1251 113 113 VAL CB C 32.867 0.15 1 1252 113 113 VAL CG1 C 21.166 0.15 2 1253 113 113 VAL CG2 C 20.883 0.15 2 1254 113 113 VAL N N 119.518 0.15 1 1255 114 114 THR H H 8.285 0.02 1 1256 114 114 THR HA H 4.328 0.02 1 1257 114 114 THR HB H 4.157 0.02 1 1258 114 114 THR HG2 H 1.187 0.02 1 1259 114 114 THR C C 174.313 0.15 1 1260 114 114 THR CA C 62.011 0.15 1 1261 114 114 THR CB C 69.791 0.15 1 1262 114 114 THR CG2 C 21.670 0.15 1 1263 114 114 THR N N 118.998 0.15 1 1264 115 115 LYS H H 8.354 0.02 1 1265 115 115 LYS HA H 4.309 0.02 1 1266 115 115 LYS HB2 H 1.806 0.02 2 1267 115 115 LYS HB3 H 1.748 0.02 2 1268 115 115 LYS C C 176.102 0.15 1 1269 115 115 LYS CA C 56.256 0.15 1 1270 115 115 LYS CB C 33.095 0.15 1 1271 115 115 LYS CD C 29.168 0.15 1 1272 115 115 LYS CE C 42.170 0.15 1 1273 115 115 LYS CG C 24.846 0.15 1 1274 115 115 LYS N N 124.651 0.15 1 1275 116 116 ALA H H 8.318 0.02 1 1276 116 116 ALA HA H 4.279 0.02 1 1277 116 116 ALA HB H 1.373 0.02 1 1278 116 116 ALA C C 177.744 0.15 1 1279 116 116 ALA CA C 52.547 0.15 1 1280 116 116 ALA CB C 19.330 0.15 1 1281 116 116 ALA N N 125.753 0.15 1 1282 117 117 LYS H H 8.410 0.02 1 1283 117 117 LYS HA H 4.355 0.02 1 1284 117 117 LYS HB2 H 1.820 0.02 2 1285 117 117 LYS HB3 H 1.823 0.02 2 1286 117 117 LYS HE2 H 2.997 0.02 2 1287 117 117 LYS HE3 H 2.997 0.02 2 1288 117 117 LYS C C 176.882 0.15 1 1289 117 117 LYS CA C 56.448 0.15 1 1290 117 117 LYS CB C 32.926 0.15 1 1291 117 117 LYS CD C 29.302 0.15 1 1292 117 117 LYS CE C 42.176 0.15 1 1293 117 117 LYS CG C 24.866 0.15 1 1294 117 117 LYS N N 121.250 0.15 1 1295 118 118 THR H H 8.154 0.02 1 1296 118 118 THR HA H 4.378 0.02 1 1297 118 118 THR HB H 4.243 0.02 1 1298 118 118 THR HG2 H 1.181 0.02 1 1299 118 118 THR C C 175.035 0.15 1 1300 118 118 THR CA C 61.816 0.15 1 1301 118 118 THR CB C 69.859 0.15 1 1302 118 118 THR CG2 C 21.560 0.15 1 1303 118 118 THR N N 114.942 0.15 1 1304 119 119 GLY H H 8.474 0.02 1 1305 119 119 GLY HA2 H 3.992 0.02 2 1306 119 119 GLY HA3 H 3.987 0.02 2 1307 119 119 GLY C C 174.578 0.15 1 1308 119 119 GLY CA C 45.370 0.15 1 1309 119 119 GLY N N 111.212 0.15 1 1310 120 120 GLY H H 8.306 0.02 1 1311 120 120 GLY HA2 H 3.953 0.02 2 1312 120 120 GLY HA3 H 3.945 0.02 2 1313 120 120 GLY C C 173.824 0.15 1 1314 120 120 GLY CA C 45.101 0.15 1 1315 120 120 GLY N N 108.825 0.15 1 1316 121 121 ALA H H 8.225 0.02 1 1317 121 121 ALA HA H 4.339 0.02 1 1318 121 121 ALA HB H 1.379 0.02 1 1319 121 121 ALA C C 178.023 0.15 1 1320 121 121 ALA CA C 52.625 0.15 1 1321 121 121 ALA CB C 19.289 0.15 1 1322 121 121 ALA N N 123.927 0.15 1 1323 122 122 VAL H H 8.104 0.02 1 1324 122 122 VAL HA H 4.083 0.02 1 1325 122 122 VAL HB H 2.072 0.02 1 1326 122 122 VAL HG1 H 0.895 0.02 2 1327 122 122 VAL HG2 H 0.895 0.02 2 1328 122 122 VAL C C 175.951 0.15 1 1329 122 122 VAL CA C 62.319 0.15 1 1330 122 122 VAL CB C 32.739 0.15 1 1331 122 122 VAL CG1 C 21.038 0.15 2 1332 122 122 VAL CG2 C 20.764 0.15 2 1333 122 122 VAL N N 118.761 0.15 1 1334 123 123 ASP H H 8.323 0.02 1 1335 123 123 ASP HA H 4.582 0.02 1 1336 123 123 ASP HB2 H 2.671 0.02 2 1337 123 123 ASP HB3 H 2.614 0.02 2 1338 123 123 ASP C C 176.175 0.15 1 1339 123 123 ASP CA C 54.397 0.15 1 1340 123 123 ASP CB C 41.243 0.15 1 1341 123 123 ASP N N 123.672 0.15 1 1342 124 124 ARG H H 8.226 0.02 1 1343 124 124 ARG HA H 4.313 0.02 1 1344 124 124 ARG HB2 H 1.856 0.02 2 1345 124 124 ARG HB3 H 1.771 0.02 2 1346 124 124 ARG HD2 H 3.18 0.02 2 1347 124 124 ARG HD3 H 3.78 0.02 2 1348 124 124 ARG HG2 H 1.61 0.02 2 1349 124 124 ARG HG3 H 1.61 0.02 2 1350 124 124 ARG C C 176.393 0.15 1 1351 124 124 ARG CA C 56.394 0.15 1 1352 124 124 ARG CB C 30.631 0.15 1 1353 124 124 ARG CD C 43.330 0.15 1 1354 124 124 ARG CG C 27.161 0.15 1 1355 124 124 ARG N N 121.195 0.15 1 1356 125 125 LEU H H 8.304 0.02 1 1357 125 125 LEU HA H 4.361 0.02 1 1358 125 125 LEU HB2 H 1.713 0.02 2 1359 125 125 LEU HB3 H 1.587 0.02 2 1360 125 125 LEU HD1 H 0.917 0.02 2 1361 125 125 LEU HD2 H 0.858 0.02 2 1362 125 125 LEU HG H 1.610 0.02 1 1363 125 125 LEU C C 177.740 0.15 1 1364 125 125 LEU CA C 55.647 0.15 1 1365 125 125 LEU CB C 42.067 0.15 1 1366 125 125 LEU CD1 C 25.003 0.15 2 1367 125 125 LEU CD2 C 23.533 0.15 2 1368 125 125 LEU CG C 27.067 0.15 1 1369 125 125 LEU N N 122.536 0.15 1 1370 126 126 THR H H 8.021 0.02 1 1371 126 126 THR HA H 4.311 0.02 1 1372 126 126 THR HB H 4.200 0.02 1 1373 126 126 THR HG2 H 1.182 0.02 1 1374 126 126 THR C C 174.307 0.15 1 1375 126 126 THR CA C 62.064 0.15 1 1376 126 126 THR CB C 69.785 0.15 1 1377 126 126 THR CG2 C 21.744 0.15 1 1378 126 126 THR N N 113.886 0.15 1 1379 127 127 ASP H H 8.285 0.02 1 1380 127 127 ASP HA H 4.700 0.02 1 1381 127 127 ASP HB2 H 2.780 0.02 2 1382 127 127 ASP HB3 H 2.684 0.02 2 1383 127 127 ASP C C 176.877 0.15 1 1384 127 127 ASP CA C 54.523 0.15 1 1385 127 127 ASP CB C 41.111 0.15 1 1386 127 127 ASP N N 122.797 0.15 1 1387 128 128 THR H H 8.224 0.02 1 1388 128 128 THR HA H 4.287 0.02 1 1389 128 128 THR HB H 4.367 0.02 1 1390 128 128 THR HG2 H 1.211 0.02 1 1391 128 128 THR C C 175.367 0.15 1 1392 128 128 THR CA C 62.327 0.15 1 1393 128 128 THR CB C 69.287 0.15 1 1394 128 128 THR CG2 C 21.727 0.15 1 1395 128 128 THR N N 114.691 0.15 1 1396 129 129 SER H H 8.369 0.02 1 1397 129 129 SER HA H 4.372 0.02 1 1398 129 129 SER HB2 H 3.892 0.02 2 1399 129 129 SER HB3 H 3.889 0.02 2 1400 129 129 SER C C 174.811 0.15 1 1401 129 129 SER CA C 59.482 0.15 1 1402 129 129 SER CB C 63.616 0.15 1 1403 129 129 SER N N 118.331 0.15 1 1404 130 130 ARG H H 8.049 0.02 1 1405 130 130 ARG HA H 4.256 0.02 1 1406 130 130 ARG HB2 H 1.697 0.02 2 1407 130 130 ARG HB3 H 1.663 0.02 2 1408 130 130 ARG C C 175.998 0.15 1 1409 130 130 ARG CA C 56.428 0.15 1 1410 130 130 ARG CB C 30.595 0.15 1 1411 130 130 ARG CD C 43.303 0.15 1 1412 130 130 ARG CG C 26.989 0.15 1 1413 130 130 ARG N N 121.875 0.15 1 1414 131 131 TYR H H 8.109 0.02 1 1415 131 131 TYR HA H 4.663 0.02 1 1416 131 131 TYR HB2 H 3.058 0.02 2 1417 131 131 TYR HB3 H 2.964 0.02 2 1418 131 131 TYR HD1 H 7.094 0.02 2 1419 131 131 TYR HD2 H 7.094 0.02 2 1420 131 131 TYR HE1 H 6.781 0.02 2 1421 131 131 TYR HE2 H 6.781 0.02 2 1422 131 131 TYR C C 176.275 0.15 1 1423 131 131 TYR CA C 57.908 0.15 1 1424 131 131 TYR CB C 38.678 0.15 1 1425 131 131 TYR CD1 C 133.322 0.15 2 1426 131 131 TYR CD2 C 133.322 0.15 2 1427 131 131 TYR CE1 C 118.244 0.15 2 1428 131 131 TYR CE2 C 118.244 0.15 2 1429 131 131 TYR N N 120.621 0.15 1 1430 132 132 THR H H 8.111 0.02 1 1431 132 132 THR HA H 4.329 0.02 1 1432 132 132 THR HB H 4.225 0.02 1 1433 132 132 THR HG2 H 1.163 0.02 1 1434 132 132 THR C C 174.926 0.15 1 1435 132 132 THR CA C 61.882 0.15 1 1436 132 132 THR CB C 69.779 0.15 1 1437 132 132 THR CG2 C 21.615 0.15 1 1438 132 132 THR N N 115.692 0.15 1 1439 133 133 GLY H H 7.791 0.02 1 1440 133 133 GLY HA2 H 3.937 0.02 2 1441 133 133 GLY HA3 H 3.935 0.02 2 1442 133 133 GLY C C 174.011 0.15 1 1443 133 133 GLY CA C 45.385 0.15 1 1444 133 133 GLY N N 110.382 0.15 1 1445 135 135 HIS HA H 4.592 0.02 1 1446 135 135 HIS HB2 H 3.096 0.02 2 1447 135 135 HIS HB3 H 3.086 0.02 2 1448 135 135 HIS C C 175.185 0.15 1 1449 135 135 HIS CA C 56.599 0.15 1 1450 135 135 HIS CB C 30.223 0.15 1 1451 136 136 LYS H H 8.150 0.02 1 1452 136 136 LYS HA H 4.223 0.02 1 1453 136 136 LYS HB2 H 1.733 0.02 2 1454 136 136 LYS HB3 H 1.731 0.02 2 1455 136 136 LYS C C 176.406 0.15 1 1456 136 136 LYS CA C 56.590 0.15 1 1457 136 136 LYS CB C 33.024 0.15 1 1458 136 136 LYS CD C 29.036 0.15 1 1459 136 136 LYS CE C 42.187 0.15 1 1460 136 136 LYS CG C 24.738 0.15 1 1461 136 136 LYS N N 122.335 0.15 1 1462 137 137 GLU H H 8.411 0.02 1 1463 137 137 GLU HA H 4.194 0.02 1 1464 137 137 GLU HB2 H 1.949 0.02 2 1465 137 137 GLU HB3 H 1.885 0.02 2 1466 137 137 GLU HG2 H 2.206 0.02 2 1467 137 137 GLU HG3 H 2.197 0.02 2 1468 137 137 GLU C C 176.226 0.15 1 1469 137 137 GLU CA C 56.723 0.15 1 1470 137 137 GLU CB C 30.113 0.15 1 1471 137 137 GLU CG C 36.261 0.15 1 1472 137 137 GLU N N 121.721 0.15 1 1473 138 138 ARG H H 8.220 0.02 1 1474 138 138 ARG HA H 4.256 0.02 1 1475 138 138 ARG HB2 H 1.718 0.02 2 1476 138 138 ARG HB3 H 1.657 0.02 2 1477 138 138 ARG HD2 H 3.10 0.02 2 1478 138 138 ARG HD3 H 3.10 0.02 2 1479 138 138 ARG C C 176.023 0.15 1 1480 138 138 ARG CA C 56.195 0.15 1 1481 138 138 ARG CB C 30.808 0.15 1 1482 138 138 ARG CD C 43.344 0.15 1 1483 138 138 ARG CG C 27.088 0.15 1 1484 138 138 ARG N N 121.345 0.15 1 1485 139 139 PHE H H 8.278 0.02 1 1486 139 139 PHE HA H 4.618 0.02 1 1487 139 139 PHE HB2 H 3.127 0.02 2 1488 139 139 PHE HB3 H 2.973 0.02 2 1489 139 139 PHE HD1 H 7.216 0.02 2 1490 139 139 PHE HD2 H 7.216 0.02 2 1491 139 139 PHE HE1 H 7.290 0.02 2 1492 139 139 PHE HE2 H 7.290 0.02 2 1493 139 139 PHE C C 175.358 0.15 1 1494 139 139 PHE CA C 57.704 0.15 1 1495 139 139 PHE CB C 39.633 0.15 1 1496 139 139 PHE CD1 C 131.836 0.15 2 1497 139 139 PHE CD2 C 131.836 0.15 2 1498 139 139 PHE CE1 C 131.658 0.15 2 1499 139 139 PHE CE2 C 131.658 0.15 2 1500 139 139 PHE N N 121.431 0.15 1 1501 140 140 ASP H H 8.299 0.02 1 1502 140 140 ASP HA H 4.578 0.02 1 1503 140 140 ASP HB2 H 2.661 0.02 2 1504 140 140 ASP HB3 H 2.650 0.02 2 1505 140 140 ASP C C 176.323 0.15 1 1506 140 140 ASP CA C 54.083 0.15 1 1507 140 140 ASP CB C 41.205 0.15 1 1508 140 140 ASP N N 121.891 0.15 1 1509 141 141 GLU H H 8.451 0.02 1 1510 141 141 GLU HA H 4.260 0.02 1 1511 141 141 GLU HB2 H 2.122 0.02 2 1512 141 141 GLU HB3 H 1.953 0.02 2 1513 141 141 GLU HG2 H 2.244 0.02 2 1514 141 141 GLU HG3 H 2.224 0.02 2 1515 141 141 GLU C C 177.018 0.15 1 1516 141 141 GLU CA C 56.994 0.15 1 1517 141 141 GLU CB C 29.953 0.15 1 1518 141 141 GLU CG C 36.348 0.15 1 1519 141 141 GLU N N 122.291 0.15 1 1520 142 142 SER H H 8.403 0.02 1 1521 142 142 SER HA H 4.359 0.02 1 1522 142 142 SER HB2 H 3.913 0.02 2 1523 142 142 SER HB3 H 3.912 0.02 2 1524 142 142 SER C C 175.457 0.15 1 1525 142 142 SER CA C 59.484 0.15 1 1526 142 142 SER CB C 63.738 0.15 1 1527 142 142 SER N N 116.415 0.15 1 1528 143 143 GLY H H 8.355 0.02 1 1529 143 143 GLY HA2 H 3.942 0.02 2 1530 143 143 GLY HA3 H 3.942 0.02 2 1531 143 143 GLY C C 174.472 0.15 1 1532 143 143 GLY CA C 45.641 0.15 1 1533 143 143 GLY N N 110.614 0.15 1 1534 144 144 LYS H H 8.047 0.02 1 1535 144 144 LYS HA H 4.288 0.02 1 1536 144 144 LYS HB2 H 1.843 0.02 2 1537 144 144 LYS HB3 H 1.787 0.02 2 1538 144 144 LYS C C 177.286 0.15 1 1539 144 144 LYS CA C 56.607 0.15 1 1540 144 144 LYS CB C 32.877 0.15 1 1541 144 144 LYS CD C 29.225 0.15 1 1542 144 144 LYS CE C 42.213 0.15 1 1543 144 144 LYS CG C 24.906 0.15 1 1544 144 144 LYS N N 120.518 0.15 1 1545 145 145 GLY H H 8.487 0.02 1 1546 145 145 GLY HA2 H 3.931 0.02 2 1547 145 145 GLY HA3 H 3.933 0.02 2 1548 145 145 GLY C C 174.217 0.15 1 1549 145 145 GLY CA C 45.463 0.15 1 1550 145 145 GLY N N 109.781 0.15 1 1551 146 146 LYS H H 8.158 0.02 1 1552 146 146 LYS HA H 4.314 0.02 1 1553 146 146 LYS HB2 H 1.838 0.02 2 1554 146 146 LYS HB3 H 1.747 0.02 2 1555 146 146 LYS C C 177.199 0.15 1 1556 146 146 LYS CA C 56.447 0.15 1 1557 146 146 LYS CB C 33.017 0.15 1 1558 146 146 LYS CD C 29.173 0.15 1 1559 146 146 LYS CE C 42.219 0.15 1 1560 146 146 LYS CG C 24.848 0.15 1 1561 146 146 LYS N N 120.538 0.15 1 1562 147 147 GLY H H 8.448 0.02 1 1563 147 147 GLY HA2 H 3.935 0.02 2 1564 147 147 GLY HA3 H 3.930 0.02 2 1565 147 147 GLY C C 174.098 0.15 1 1566 147 147 GLY CA C 45.364 0.15 1 1567 147 147 GLY N N 109.782 0.15 1 1568 148 148 ILE H H 8.004 0.02 1 1569 148 148 ILE HA H 4.143 0.02 1 1570 148 148 ILE HB H 1.841 0.02 1 1571 148 148 ILE HD1 H 0.831 0.02 1 1572 148 148 ILE HG12 H 1.424 0.02 2 1573 148 148 ILE HG13 H 1.139 0.02 2 1574 148 148 ILE HG2 H 0.875 0.02 1 1575 148 148 ILE C C 176.214 0.15 1 1576 148 148 ILE CA C 61.201 0.15 1 1577 148 148 ILE CB C 38.752 0.15 1 1578 148 148 ILE CD1 C 13.043 0.15 1 1579 148 148 ILE CG1 C 27.124 0.15 1 1580 148 148 ILE CG2 C 17.561 0.15 1 1581 148 148 ILE N N 119.948 0.15 1 1582 149 149 ALA H H 8.393 0.02 1 1583 149 149 ALA HA H 4.302 0.02 1 1584 149 149 ALA HB H 1.386 0.02 1 1585 149 149 ALA C C 178.150 0.15 1 1586 149 149 ALA CA C 52.787 0.15 1 1587 149 149 ALA CB C 19.099 0.15 1 1588 149 149 ALA N N 127.842 0.15 1 1589 150 150 GLY H H 8.333 0.02 1 1590 150 150 GLY HA2 H 3.935 0.02 2 1591 150 150 GLY HA3 H 3.935 0.02 2 1592 150 150 GLY C C 174.120 0.15 1 1593 150 150 GLY CA C 45.311 0.15 1 1594 150 150 GLY N N 108.384 0.15 1 1595 151 151 ARG H H 8.111 0.02 1 1596 151 151 ARG HA H 4.327 0.02 1 1597 151 151 ARG HB2 H 1.867 0.02 2 1598 151 151 ARG HB3 H 1.764 0.02 2 1599 151 151 ARG C C 176.364 0.15 1 1600 151 151 ARG CA C 56.306 0.15 1 1601 151 151 ARG CB C 30.853 0.15 1 1602 151 151 ARG CD C 43.344 0.15 1 1603 151 151 ARG CG C 27.064 0.15 1 1604 151 151 ARG N N 120.507 0.15 1 1605 152 152 GLN H H 8.543 0.02 1 1606 152 152 GLN HA H 4.329 0.02 1 1607 152 152 GLN HB2 H 2.103 0.02 2 1608 152 152 GLN HB3 H 1.945 0.02 2 1609 152 152 GLN HE21 H 7.515 0.02 1 1610 152 152 GLN HE22 H 6.833 0.02 1 1611 152 152 GLN HG2 H 2.345 0.02 2 1612 152 152 GLN HG3 H 2.345 0.02 2 1613 152 152 GLN C C 175.530 0.15 1 1614 152 152 GLN CA C 56.162 0.15 1 1615 152 152 GLN CB C 29.531 0.15 1 1616 152 152 GLN CD C 180.495 0.15 1 1617 152 152 GLN CG C 33.893 0.15 1 1618 152 152 GLN N N 121.502 0.15 1 1619 152 152 GLN NE2 N 112.617 0.15 1 1620 153 153 ASP H H 8.438 0.02 1 1621 153 153 ASP HA H 4.581 0.02 1 1622 153 153 ASP HB2 H 2.660 0.02 2 1623 153 153 ASP HB3 H 2.597 0.02 2 1624 153 153 ASP C C 175.907 0.15 1 1625 153 153 ASP CA C 54.540 0.15 1 1626 153 153 ASP CB C 41.026 0.15 1 1627 153 153 ASP N N 121.212 0.15 1 1628 154 154 ILE H H 7.955 0.02 1 1629 154 154 ILE HA H 4.144 0.02 1 1630 154 154 ILE HB H 1.852 0.02 1 1631 154 154 ILE HD1 H 0.839 0.02 1 1632 154 154 ILE HG12 H 1.420 0.02 2 1633 154 154 ILE HG13 H 1.136 0.02 2 1634 154 154 ILE HG2 H 0.881 0.02 1 1635 154 154 ILE C C 176.004 0.15 1 1636 154 154 ILE CA C 61.197 0.15 1 1637 154 154 ILE CB C 38.671 0.15 1 1638 154 154 ILE CD1 C 13.059 0.15 1 1639 154 154 ILE CG1 C 27.132 0.15 1 1640 154 154 ILE CG2 C 17.559 0.15 1 1641 154 154 ILE N N 120.264 0.15 1 1642 155 155 LEU H H 8.255 0.02 1 1643 155 155 LEU HA H 4.352 0.02 1 1644 155 155 LEU HB2 H 1.619 0.02 2 1645 155 155 LEU HB3 H 1.535 0.02 2 1646 155 155 LEU HD1 H 0.878 0.02 1 1647 155 155 LEU HD2 H 0.822 0.02 1 1648 155 155 LEU HG H 1.571 0.02 1 1649 155 155 LEU C C 176.980 0.15 1 1650 155 155 LEU CA C 54.975 0.15 1 1651 155 155 LEU CB C 42.291 0.15 1 1652 155 155 LEU CD1 C 24.936 0.15 1 1653 155 155 LEU CD2 C 23.490 0.15 1 1654 155 155 LEU CG C 26.993 0.15 1 1655 155 155 LEU N N 125.849 0.15 1 1656 156 156 ASP H H 8.242 0.02 1 1657 156 156 ASP HA H 4.608 0.02 1 1658 156 156 ASP HB2 H 2.693 0.02 2 1659 156 156 ASP HB3 H 2.692 0.02 2 1660 156 156 ASP C C 176.062 0.15 1 1661 156 156 ASP CA C 54.211 0.15 1 1662 156 156 ASP CB C 41.398 0.15 1 1663 156 156 ASP N N 121.398 0.15 1 1664 157 157 ASP H H 8.305 0.02 1 1665 157 157 ASP HA H 4.608 0.02 1 1666 157 157 ASP HB2 H 2.693 0.02 2 1667 157 157 ASP HB3 H 2.687 0.02 2 1668 157 157 ASP C C 176.967 0.15 1 1669 157 157 ASP CA C 54.450 0.15 1 1670 157 157 ASP CB C 41.059 0.15 1 1671 157 157 ASP N N 121.669 0.15 1 1672 158 158 SER H H 8.390 0.02 1 1673 158 158 SER HA H 4.321 0.02 1 1674 158 158 SER HB2 H 3.907 0.02 2 1675 158 158 SER HB3 H 3.906 0.02 2 1676 158 158 SER C C 175.444 0.15 1 1677 158 158 SER CA C 59.614 0.15 1 1678 158 158 SER CB C 63.708 0.15 1 1679 158 158 SER N N 116.417 0.15 1 1680 159 159 GLY H H 8.424 0.02 1 1681 159 159 GLY HA2 H 3.885 0.02 2 1682 159 159 GLY HA3 H 3.884 0.02 2 1683 159 159 GLY C C 174.036 0.15 1 1684 159 159 GLY CA C 45.491 0.15 1 1685 159 159 GLY N N 110.290 0.15 1 1686 160 160 TYR H H 7.949 0.02 1 1687 160 160 TYR HA H 4.513 0.02 1 1688 160 160 TYR HB2 H 3.011 0.02 2 1689 160 160 TYR HB3 H 2.967 0.02 2 1690 160 160 TYR HD1 H 7.068 0.02 2 1691 160 160 TYR HD2 H 7.068 0.02 2 1692 160 160 TYR HE1 H 6.789 0.02 2 1693 160 160 TYR HE2 H 6.789 0.02 2 1694 160 160 TYR C C 175.840 0.15 1 1695 160 160 TYR CA C 58.434 0.15 1 1696 160 160 TYR CB C 38.712 0.15 1 1697 160 160 TYR CD1 C 133.183 0.15 2 1698 160 160 TYR CD2 C 133.183 0.15 2 1699 160 160 TYR CE1 C 118.223 0.15 2 1700 160 160 TYR CE2 C 118.223 0.15 2 1701 160 160 TYR N N 120.494 0.15 1 1702 161 161 VAL H H 7.969 0.02 1 1703 161 161 VAL HA H 4.000 0.02 1 1704 161 161 VAL HB H 1.986 0.02 1 1705 161 161 VAL HG1 H 0.878 0.02 2 1706 161 161 VAL HG2 H 0.876 0.02 2 1707 161 161 VAL C C 176.030 0.15 1 1708 161 161 VAL CA C 62.495 0.15 1 1709 161 161 VAL CB C 32.692 0.15 1 1710 161 161 VAL CG1 C 21.132 0.15 2 1711 161 161 VAL CG2 C 21.157 0.15 2 1712 161 161 VAL N N 122.190 0.15 1 1713 162 162 SER H H 8.237 0.02 1 1714 162 162 SER HA H 4.320 0.02 1 1715 162 162 SER HB2 H 3.864 0.02 2 1716 162 162 SER HB3 H 3.800 0.02 2 1717 162 162 SER C C 174.584 0.15 1 1718 162 162 SER CA C 58.587 0.15 1 1719 162 162 SER CB C 63.780 0.15 1 1720 162 162 SER N N 118.933 0.15 1 1721 163 163 ALA H H 8.194 0.02 1 1722 163 163 ALA HA H 4.225 0.02 1 1723 163 163 ALA HB H 1.262 0.02 1 1724 163 163 ALA C C 177.606 0.15 1 1725 163 163 ALA CA C 52.906 0.15 1 1726 163 163 ALA CB C 19.102 0.15 1 1727 163 163 ALA N N 125.661 0.15 1 1728 164 164 TYR H H 8.000 0.02 1 1729 164 164 TYR HA H 4.489 0.02 1 1730 164 164 TYR HB2 H 3.026 0.02 2 1731 164 164 TYR HB3 H 2.893 0.02 2 1732 164 164 TYR HD1 H 7.067 0.02 2 1733 164 164 TYR HD2 H 7.067 0.02 2 1734 164 164 TYR HE1 H 6.788 0.02 2 1735 164 164 TYR HE2 H 6.788 0.02 2 1736 164 164 TYR C C 175.981 0.15 1 1737 164 164 TYR CA C 58.126 0.15 1 1738 164 164 TYR CB C 38.469 0.15 1 1739 164 164 TYR CD1 C 133.254 0.15 2 1740 164 164 TYR CD2 C 133.254 0.15 2 1741 164 164 TYR CE1 C 118.246 0.15 2 1742 164 164 TYR CE2 C 118.246 0.15 2 1743 164 164 TYR N N 118.485 0.15 1 1744 165 165 LYS H H 8.016 0.02 1 1745 165 165 LYS HA H 4.193 0.02 1 1746 165 165 LYS HB2 H 1.723 0.02 2 1747 165 165 LYS HB3 H 1.723 0.02 2 1748 165 165 LYS C C 176.078 0.15 1 1749 165 165 LYS CA C 56.564 0.15 1 1750 165 165 LYS CB C 32.899 0.15 1 1751 165 165 LYS CE C 42.125 0.15 1 1752 165 165 LYS N N 122.517 0.15 1 1753 166 166 ASN H H 8.270 0.02 1 1754 166 166 ASN HA H 4.644 0.02 1 1755 166 166 ASN HB2 H 2.833 0.02 2 1756 166 166 ASN HB3 H 2.739 0.02 2 1757 166 166 ASN C C 174.970 0.15 1 1758 166 166 ASN CA C 53.262 0.15 1 1759 166 166 ASN CB C 38.881 0.15 1 1760 166 166 ASN N N 119.311 0.15 1 1761 167 167 ALA H H 8.248 0.02 1 1762 167 167 ALA HA H 4.296 0.02 1 1763 167 167 ALA HB H 1.405 0.02 1 1764 167 167 ALA C C 178.176 0.15 1 1765 167 167 ALA CA C 52.988 0.15 1 1766 167 167 ALA CB C 19.238 0.15 1 1767 167 167 ALA N N 124.445 0.15 1 1768 168 168 GLY H H 8.388 0.02 1 1769 168 168 GLY HA2 H 3.965 0.02 2 1770 168 168 GLY HA3 H 3.965 0.02 2 1771 168 168 GLY C C 174.370 0.15 1 1772 168 168 GLY CA C 45.447 0.15 1 1773 168 168 GLY N N 107.813 0.15 1 1774 169 169 THR H H 7.898 0.02 1 1775 169 169 THR HA H 4.270 0.02 1 1776 169 169 THR HB H 4.144 0.02 1 1777 169 169 THR HG2 H 1.110 0.02 1 1778 169 169 THR C C 174.412 0.15 1 1779 169 169 THR CA C 62.077 0.15 1 1780 169 169 THR CB C 69.786 0.15 1 1781 169 169 THR CG2 C 21.579 0.15 1 1782 169 169 THR N N 113.429 0.15 1 1783 170 170 TYR H H 8.231 0.02 1 1784 170 170 TYR HA H 4.505 0.02 1 1785 170 170 TYR HB2 H 3.014 0.02 2 1786 170 170 TYR HB3 H 2.976 0.02 2 1787 170 170 TYR HD1 H 7.067 0.02 2 1788 170 170 TYR HD2 H 7.067 0.02 2 1789 170 170 TYR HE1 H 6.789 0.02 2 1790 170 170 TYR HE2 H 6.789 0.02 2 1791 170 170 TYR C C 175.252 0.15 1 1792 170 170 TYR CA C 58.316 0.15 1 1793 170 170 TYR CB C 38.740 0.15 1 1794 170 170 TYR CD1 C 133.198 0.15 2 1795 170 170 TYR CD2 C 133.198 0.15 2 1796 170 170 TYR CE1 C 118.216 0.15 2 1797 170 170 TYR CE2 C 118.216 0.15 2 1798 170 170 TYR N N 122.669 0.15 1 1799 171 171 ASP H H 8.141 0.02 1 1800 171 171 ASP HA H 4.500 0.02 1 1801 171 171 ASP HB2 H 2.642 0.02 2 1802 171 171 ASP HB3 H 2.544 0.02 2 1803 171 171 ASP C C 175.879 0.15 1 1804 171 171 ASP CA C 54.132 0.15 1 1805 171 171 ASP CB C 41.392 0.15 1 1806 171 171 ASP N N 122.725 0.15 1 1807 172 172 ALA H H 8.148 0.02 1 1808 172 172 ALA HA H 4.163 0.02 1 1809 172 172 ALA HB H 1.393 0.02 1 1810 172 172 ALA C C 178.113 0.15 1 1811 172 172 ALA CA C 53.070 0.15 1 1812 172 172 ALA CB C 19.051 0.15 1 1813 172 172 ALA N N 124.768 0.15 1 1814 173 173 LYS H H 8.228 0.02 1 1815 173 173 LYS HA H 4.199 0.02 1 1816 173 173 LYS HB2 H 1.803 0.02 2 1817 173 173 LYS HB3 H 1.803 0.02 2 1818 173 173 LYS C C 177.057 0.15 1 1819 173 173 LYS CA C 56.938 0.15 1 1820 173 173 LYS CB C 32.499 0.15 1 1821 173 173 LYS CD C 29.098 0.15 1 1822 173 173 LYS CE C 42.161 0.15 1 1823 173 173 LYS CG C 25.049 0.15 1 1824 173 173 LYS N N 119.050 0.15 1 1825 174 174 VAL H H 7.818 0.02 1 1826 174 174 VAL HA H 4.007 0.02 1 1827 174 174 VAL HB H 2.034 0.02 1 1828 174 174 VAL HG1 H 0.908 0.02 2 1829 174 174 VAL HG2 H 0.906 0.02 2 1830 174 174 VAL C C 176.175 0.15 1 1831 174 174 VAL CA C 62.640 0.15 1 1832 174 174 VAL CB C 32.564 0.15 1 1833 174 174 VAL CG1 C 21.020 0.15 2 1834 174 174 VAL CG2 C 21.011 0.15 2 1835 174 174 VAL N N 119.936 0.15 1 1836 175 175 LYS H H 8.232 0.02 1 1837 175 175 LYS HA H 4.260 0.02 1 1838 175 175 LYS HB2 H 1.752 0.02 2 1839 175 175 LYS HB3 H 1.750 0.02 2 1840 175 175 LYS HG2 H 1.405 0.02 2 1841 175 175 LYS HG3 H 1.405 0.02 2 1842 175 175 LYS C C 176.348 0.15 1 1843 175 175 LYS CA C 56.480 0.15 1 1844 175 175 LYS CB C 32.854 0.15 1 1845 175 175 LYS N N 124.948 0.15 1 1846 176 176 LYS H H 8.225 0.02 1 1847 176 176 LYS HA H 4.496 0.02 1 1848 176 176 LYS HB2 H 1.749 0.02 2 1849 176 176 LYS HB3 H 1.744 0.02 2 1850 176 176 LYS C C 176.327 0.15 1 1851 176 176 LYS CA C 56.469 0.15 1 1852 176 176 LYS CB C 33.014 0.15 1 1853 176 176 LYS N N 122.802 0.15 1 1854 177 177 LEU H H 8.238 0.02 1 1855 177 177 LEU HA H 4.293 0.02 1 1856 177 177 LEU HB2 H 1.566 0.02 2 1857 177 177 LEU HB3 H 1.490 0.02 2 1858 177 177 LEU HD1 H 0.869 0.02 1 1859 177 177 LEU HD2 H 0.815 0.02 1 1860 177 177 LEU HG H 1.556 0.02 1 1861 177 177 LEU C C 177.183 0.15 1 1862 177 177 LEU CA C 55.135 0.15 1 1863 177 177 LEU CB C 42.278 0.15 1 1864 177 177 LEU CD1 C 24.946 0.15 1 1865 177 177 LEU CD2 C 23.497 0.15 1 1866 177 177 LEU CG C 27.002 0.15 1 1867 177 177 LEU N N 123.730 0.15 1 1868 178 178 GLU H H 8.360 0.02 1 1869 178 178 GLU HA H 4.215 0.02 1 1870 178 178 GLU HB2 H 1.844 0.02 2 1871 178 178 GLU HB3 H 1.831 0.02 2 1872 178 178 GLU HG2 H 2.194 0.02 2 1873 178 178 GLU HG3 H 2.125 0.02 2 1874 178 178 GLU C C 176.105 0.15 1 1875 178 178 GLU CA C 56.471 0.15 1 1876 178 178 GLU CB C 30.498 0.15 1 1877 178 178 GLU CG C 36.357 0.15 1 1878 178 178 GLU N N 121.796 0.15 1 stop_ save_