data_15727 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Full 1H, 13C, and 15N Chemical Shift Assignments for La NTD complexed with 5'UUUU RNA ; _BMRB_accession_number 15727 _BMRB_flat_file_name bmr15727.str _Entry_type original _Submission_date 2008-04-14 _Accession_date 2008-04-14 _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 Conte Maria R. . 2 Sanfelice Domenico . . 3 Kelly Geoff . . 4 Curry Stephen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 920 "13C chemical shifts" 768 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-14 update BMRB 'added PubMed ID' 2008-11-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15726 'Backbone assignment of apo La NTD' stop_ save_ ############################# # Citation for this entry # ############################# save_La_NTD_apo_and_with_U4 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the N-terminal region of human La free and in complex with RNA' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636881 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanfelice Domenico . . 2 Kelly Geoff . . 3 Curry Stephen . . 4 Conte Maria R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 107 _Page_last 109 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'La NTD complexed with 5'UUUU' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'La NTD' $La_protein '5'UUUU RNA' $UUUU_RNA 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_La_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common La_protein _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 197 _Mol_residue_sequence ; MAENGDNEKMAALEAKICHQ IEYYFGDFNLPRDKFLKEQI KLDEGWVPLEIMIKFNRLNR LTTDFNVIVEALSKSKAELM EISEDKTKIRRSPSKPLPEV TDEYKNDVKNRSVYIKGFPT DATLDDIKEWLEDKGQVLNI QMRRTLHKAFKGSIFVVFDS IESAKKFVETPGQKYKETDL LILFKDDYFAKKNEVDS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 ASN 5 GLY 6 ASP 7 ASN 8 GLU 9 LYS 10 MET 11 ALA 12 ALA 13 LEU 14 GLU 15 ALA 16 LYS 17 ILE 18 CYS 19 HIS 20 GLN 21 ILE 22 GLU 23 TYR 24 TYR 25 PHE 26 GLY 27 ASP 28 PHE 29 ASN 30 LEU 31 PRO 32 ARG 33 ASP 34 LYS 35 PHE 36 LEU 37 LYS 38 GLU 39 GLN 40 ILE 41 LYS 42 LEU 43 ASP 44 GLU 45 GLY 46 TRP 47 VAL 48 PRO 49 LEU 50 GLU 51 ILE 52 MET 53 ILE 54 LYS 55 PHE 56 ASN 57 ARG 58 LEU 59 ASN 60 ARG 61 LEU 62 THR 63 THR 64 ASP 65 PHE 66 ASN 67 VAL 68 ILE 69 VAL 70 GLU 71 ALA 72 LEU 73 SER 74 LYS 75 SER 76 LYS 77 ALA 78 GLU 79 LEU 80 MET 81 GLU 82 ILE 83 SER 84 GLU 85 ASP 86 LYS 87 THR 88 LYS 89 ILE 90 ARG 91 ARG 92 SER 93 PRO 94 SER 95 LYS 96 PRO 97 LEU 98 PRO 99 GLU 100 VAL 101 THR 102 ASP 103 GLU 104 TYR 105 LYS 106 ASN 107 ASP 108 VAL 109 LYS 110 ASN 111 ARG 112 SER 113 VAL 114 TYR 115 ILE 116 LYS 117 GLY 118 PHE 119 PRO 120 THR 121 ASP 122 ALA 123 THR 124 LEU 125 ASP 126 ASP 127 ILE 128 LYS 129 GLU 130 TRP 131 LEU 132 GLU 133 ASP 134 LYS 135 GLY 136 GLN 137 VAL 138 LEU 139 ASN 140 ILE 141 GLN 142 MET 143 ARG 144 ARG 145 THR 146 LEU 147 HIS 148 LYS 149 ALA 150 PHE 151 LYS 152 GLY 153 SER 154 ILE 155 PHE 156 VAL 157 VAL 158 PHE 159 ASP 160 SER 161 ILE 162 GLU 163 SER 164 ALA 165 LYS 166 LYS 167 PHE 168 VAL 169 GLU 170 THR 171 PRO 172 GLY 173 GLN 174 LYS 175 TYR 176 LYS 177 GLU 178 THR 179 ASP 180 LEU 181 LEU 182 ILE 183 LEU 184 PHE 185 LYS 186 ASP 187 ASP 188 TYR 189 PHE 190 ALA 191 LYS 192 LYS 193 ASN 194 GLU 195 VAL 196 ASP 197 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15726 La_protein 100.00 197 100.00 100.00 4.11e-140 BMRB 17878 human_La_protein 96.95 322 100.00 100.00 7.54e-135 PDB 1S7A "Nmr Structure Of The La Motif Of Human La Protein" 52.28 103 100.00 100.00 6.63e-67 PDB 1YTY "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 97.97 194 97.93 97.93 1.08e-132 PDB 1ZH5 "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 97.97 195 97.93 97.93 8.80e-133 PDB 2VOD "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auauuuu" 97.97 193 98.96 98.96 1.38e-135 PDB 2VON "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auaauuu" 97.97 193 98.96 98.96 1.38e-135 PDB 2VOO "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Uuuuuuuu" 97.97 193 98.96 98.96 1.38e-135 PDB 2VOP "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auuuu" 97.97 193 98.96 98.96 1.38e-135 DBJ BAE87871 "unnamed protein product [Macaca fascicularis]" 98.48 405 99.48 99.48 3.39e-135 DBJ BAE87890 "unnamed protein product [Macaca fascicularis]" 98.48 405 99.48 99.48 3.39e-135 DBJ BAG70042 "autoantigen La [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 DBJ BAG70165 "autoantigen La [Homo sapiens]" 98.48 408 100.00 100.00 1.01e-136 DBJ BAI45822 "Sjogren syndrome antigen B [synthetic construct]" 98.48 408 100.00 100.00 1.12e-136 EMBL CAA31985 "unnamed protein product [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 EMBL CAA31986 "unnamed protein product [Bos taurus]" 98.48 404 96.91 98.45 4.36e-133 GB AAA36577 "ribonucleoprotein La, partial [Homo sapiens]" 71.07 355 100.00 100.00 1.72e-92 GB AAA51885 "La protein [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 GB AAH01289 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 GB AAH20818 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 GB AAI03235 "Sjogren syndrome antigen B (autoantigen La) [Bos taurus]" 98.48 404 97.42 98.45 1.03e-133 REF NP_001267347 "lupus La protein [Pan troglodytes]" 98.48 408 99.48 99.48 1.60e-135 REF NP_001270975 "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" 98.48 405 99.48 99.48 3.39e-135 REF NP_001281074 "lupus La protein [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 REF NP_001296114 "Sjogren syndrome antigen B (autoantigen La) [Equus caballus]" 98.48 405 98.45 99.48 6.96e-135 REF NP_003133 "lupus La protein [Homo sapiens]" 98.48 408 100.00 100.00 1.12e-136 SP P05455 "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" 98.48 408 100.00 100.00 1.12e-136 SP P10881 "RecName: Full=Lupus La protein homolog; AltName: Full=La autoantigen homolog; AltName: Full=La ribonucleoprotein" 98.48 404 97.42 98.45 1.03e-133 TPG DAA32804 "TPA: lupus La protein homolog [Bos taurus]" 98.48 404 97.42 98.45 1.03e-133 stop_ save_ save_UUUU_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common UUUU_RNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 4 _Mol_residue_sequence UUUU loop_ _Residue_seq_code _Residue_label 1 U 2 U 3 U 4 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $La_protein Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $La_protein 'recombinant technology' . Escherichia coli BL21 pET3a 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 $La_protein 0.3-0.4 mM '[U-100% 13C; U-100% 15N]' $UUUU_RNA 0.3-0.4 mM . Tris-HCl 20 mM . KCl 100 mM . DTT 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' 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_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM Tris-HCl, 100 mM KCl, 1 mM DTT, pH 7 - protein complexed with unlabelled 5'UUUU' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D 1H-13C NOESY' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D HN(CO)CA' '3D HNCO' 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 'La NTD' _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 3 3 GLU C C 176.141 0.030 1 2 3 3 GLU CA C 56.317 0.030 1 3 3 3 GLU CB C 30.629 0.030 1 4 4 4 ASN H H 8.698 0.030 1 5 4 4 ASN C C 174.375 0.030 1 6 4 4 ASN CA C 53.555 0.030 1 7 4 4 ASN CB C 38.873 0.030 1 8 4 4 ASN N N 120.04 0.030 1 9 5 5 GLY H H 8.518 0.030 1 10 5 5 GLY HA2 H 3.951 0.030 2 11 5 5 GLY HA3 H 3.984 0.030 2 12 5 5 GLY C C 176.978 0.030 1 13 5 5 GLY CA C 45.712 0.030 1 14 5 5 GLY N N 109.591 0.030 1 15 6 6 ASP H H 8.336 0.030 1 16 6 6 ASP HA H 4.545 0.030 1 17 6 6 ASP HB2 H 2.629 0.030 2 18 6 6 ASP HB3 H 2.697 0.030 2 19 6 6 ASP C C 176.978 0.030 1 20 6 6 ASP CA C 55.23 0.030 1 21 6 6 ASP CB C 40.767 0.030 1 22 6 6 ASP N N 121.08 0.030 1 23 7 7 ASN H H 8.566 0.030 1 24 7 7 ASN HA H 4.576 0.030 1 25 7 7 ASN HB2 H 2.806 0.030 2 26 7 7 ASN HB3 H 2.833 0.030 2 27 7 7 ASN C C 175.444 0.030 1 28 7 7 ASN CA C 54.646 0.030 1 29 7 7 ASN CB C 38.398 0.030 1 30 7 7 ASN N N 119.598 0.030 1 31 8 8 GLU H H 8.496 0.030 1 32 8 8 GLU HA H 4.144 0.030 1 33 8 8 GLU HB2 H 2.059 0.030 2 34 8 8 GLU HG2 H 2.305 0.030 2 35 8 8 GLU C C 175.444 0.030 1 36 8 8 GLU CA C 58.809 0.030 1 37 8 8 GLU CB C 29.45 0.030 1 38 8 8 GLU CG C 36.569 0.030 1 39 8 8 GLU N N 121.869 0.030 1 40 9 9 LYS H H 8.195 0.030 1 41 9 9 LYS C C 179.196 0.030 1 42 9 9 LYS CA C 58.611 0.030 1 43 9 9 LYS CB C 32.242 0.030 1 44 9 9 LYS N N 121.112 0.030 1 45 10 10 MET H H 8.25 0.030 1 46 10 10 MET HA H 4.446 0.030 1 47 10 10 MET HB2 H 2.05 0.030 2 48 10 10 MET HB3 H 2.102 0.030 2 49 10 10 MET HE H 2.069 0.030 1 50 10 10 MET HG2 H 2.073 0.030 2 51 10 10 MET HG3 H 2.582 0.030 2 52 10 10 MET C C 177.559 0.030 1 53 10 10 MET CA C 56.76 0.030 1 54 10 10 MET CB C 31.694 0.030 1 55 10 10 MET CE C 16.984 0.030 1 56 10 10 MET CG C 32.021 0.030 1 57 10 10 MET N N 120.355 0.030 1 58 11 11 ALA H H 8.334 0.030 1 59 11 11 ALA HA H 4.188 0.030 1 60 11 11 ALA HB H 1.472 0.030 1 61 11 11 ALA C C 180.557 0.030 1 62 11 11 ALA CA C 54.646 0.030 1 63 11 11 ALA CB C 18.128 0.030 1 64 11 11 ALA N N 123.298 0.030 1 65 12 12 ALA H H 8.092 0.030 1 66 12 12 ALA HA H 4.184 0.030 1 67 12 12 ALA HB H 1.47 0.030 1 68 12 12 ALA C C 180.348 0.030 1 69 12 12 ALA CA C 54.898 0.030 1 70 12 12 ALA CB C 17.877 0.030 1 71 12 12 ALA N N 121.617 0.030 1 72 13 13 LEU H H 7.945 0.030 1 73 13 13 LEU HA H 4.108 0.030 1 74 13 13 LEU HB2 H 1.672 0.030 2 75 13 13 LEU HB3 H 2.01 0.030 2 76 13 13 LEU HD1 H 1.008 0.030 2 77 13 13 LEU HD2 H 0.975 0.030 2 78 13 13 LEU HG H 1.504 0.030 1 79 13 13 LEU C C 178.93 0.030 1 80 13 13 LEU CA C 58.284 0.030 1 81 13 13 LEU CB C 41.664 0.030 1 82 13 13 LEU CD1 C 24.012 0.030 2 83 13 13 LEU CD2 C 25.81 0.030 2 84 13 13 LEU CG C 27.118 0.030 1 85 13 13 LEU N N 120.86 0.030 1 86 14 14 GLU H H 8.512 0.030 1 87 14 14 GLU HA H 3.746 0.030 1 88 14 14 GLU HB2 H 1.917 0.030 2 89 14 14 GLU HB3 H 2.227 0.030 2 90 14 14 GLU HG2 H 2.015 0.030 2 91 14 14 GLU HG3 H 2.736 0.030 2 92 14 14 GLU C C 178.465 0.030 1 93 14 14 GLU CA C 60.131 0.030 1 94 14 14 GLU CB C 29.322 0.030 1 95 14 14 GLU CG C 36.266 0.030 1 96 14 14 GLU N N 117.075 0.030 1 97 15 15 ALA H H 7.899 0.030 1 98 15 15 ALA HA H 4.042 0.030 1 99 15 15 ALA HB H 1.435 0.030 1 100 15 15 ALA C C 180.301 0.030 1 101 15 15 ALA CA C 55.119 0.030 1 102 15 15 ALA CB C 17.64 0.030 1 103 15 15 ALA N N 120.608 0.030 1 104 16 16 LYS H H 7.787 0.030 1 105 16 16 LYS HA H 4.014 0.030 1 106 16 16 LYS HB2 H 1.918 0.030 2 107 16 16 LYS HB3 H 1.953 0.030 2 108 16 16 LYS HD2 H 1.622 0.030 2 109 16 16 LYS HD3 H 1.659 0.030 2 110 16 16 LYS HG2 H 1.446 0.030 2 111 16 16 LYS HG3 H 1.757 0.030 2 112 16 16 LYS C C 180.232 0.030 1 113 16 16 LYS CA C 60.172 0.030 1 114 16 16 LYS CB C 33.217 0.030 1 115 16 16 LYS CD C 29.56 0.030 1 116 16 16 LYS CG C 26.207 0.030 1 117 16 16 LYS N N 118.337 0.030 1 118 17 17 ILE H H 8.518 0.030 1 119 17 17 ILE HA H 3.377 0.030 1 120 17 17 ILE HB H 1.911 0.030 1 121 17 17 ILE HD1 H 0.705 0.030 1 122 17 17 ILE HG12 H 0.709 0.030 2 123 17 17 ILE HG13 H 1.898 0.030 2 124 17 17 ILE C C 177.42 0.030 1 125 17 17 ILE CA C 66.03 0.030 1 126 17 17 ILE CB C 41.028 0.030 1 127 17 17 ILE CD1 C 16.494 0.030 1 128 17 17 ILE CG1 C 30.223 0.030 1 129 17 17 ILE N N 121.112 0.030 1 130 18 18 CYS H H 8.236 0.030 1 131 18 18 CYS HA H 3.765 0.030 1 132 18 18 CYS HB2 H 2.811 0.030 2 133 18 18 CYS C C 177.954 0.030 1 134 18 18 CYS CA C 64.33 0.030 1 135 18 18 CYS CB C 25.849 0.030 1 136 18 18 CYS N N 117.08 0.030 1 137 19 19 HIS H H 8.443 0.030 1 138 19 19 HIS HB2 H 3.208 0.030 2 139 19 19 HIS HB3 H 3.208 0.030 2 140 19 19 HIS C C 177.699 0.030 1 141 19 19 HIS CA C 58.821 0.030 1 142 19 19 HIS CB C 32.558 0.030 1 143 19 19 HIS N N 115.813 0.030 1 144 20 20 GLN H H 8.218 0.030 1 145 20 20 GLN HA H 3.944 0.030 1 146 20 20 GLN HB2 H 2.229 0.030 2 147 20 20 GLN HB3 H 2.229 0.030 2 148 20 20 GLN C C 179.976 0.030 1 149 20 20 GLN CA C 57.874 0.030 1 150 20 20 GLN CB C 29.561 0.030 1 151 20 20 GLN N N 118.337 0.030 1 152 21 21 ILE H H 8.294 0.030 1 153 21 21 ILE HA H 3.935 0.030 1 154 21 21 ILE HD1 H 0.813 0.030 1 155 21 21 ILE C C 177.373 0.030 1 156 21 21 ILE CA C 66.52 0.030 1 157 21 21 ILE CB C 38.680 0.030 1 158 21 21 ILE CD1 C 14.696 0.030 1 159 21 21 ILE N N 119.094 0.030 1 160 22 22 GLU H H 8.916 0.030 1 161 22 22 GLU HA H 3.812 0.030 1 162 22 22 GLU HB2 H 1.806 0.030 2 163 22 22 GLU HB3 H 2.122 0.030 2 164 22 22 GLU HG2 H 2.032 0.030 2 165 22 22 GLU HG3 H 2.413 0.030 2 166 22 22 GLU C C 178.512 0.030 1 167 22 22 GLU CA C 58.962 0.030 1 168 22 22 GLU CB C 27.585 0.030 1 169 22 22 GLU CG C 37.788 0.030 1 170 22 22 GLU N N 117.33 0.030 1 171 23 23 TYR H H 7.72 0.030 1 172 23 23 TYR HA H 4.159 0.030 1 173 23 23 TYR HB2 H 2.856 0.030 2 174 23 23 TYR HB3 H 3.046 0.030 2 175 23 23 TYR C C 177.373 0.030 1 176 23 23 TYR CA C 62.72 0.030 1 177 23 23 TYR CB C 37.452 0.030 1 178 23 23 TYR N N 119.33 0.030 1 179 24 24 TYR H H 7.819 0.030 1 180 24 24 TYR HA H 4.154 0.030 1 181 24 24 TYR HB2 H 3.333 0.030 2 182 24 24 TYR HB3 H 3.333 0.030 2 183 24 24 TYR C C 177.513 0.030 1 184 24 24 TYR CA C 57.677 0.030 1 185 24 24 TYR CB C 37.531 0.030 1 186 24 24 TYR N N 119.598 0.030 1 187 25 25 PHE H H 7.787 0.030 1 188 25 25 PHE HA H 4.374 0.030 1 189 25 25 PHE HB2 H 2.858 0.030 2 190 25 25 PHE HB3 H 3.364 0.030 2 191 25 25 PHE C C 173.399 0.030 1 192 25 25 PHE CA C 58.751 0.030 1 193 25 25 PHE CB C 39.618 0.030 1 194 25 25 PHE N N 111.357 0.030 1 195 26 26 GLY H H 7.383 0.030 1 196 26 26 GLY HA2 H 3.963 0.030 2 197 26 26 GLY HA3 H 4.114 0.030 2 198 26 26 GLY C C 173.19 0.030 1 199 26 26 GLY CA C 45.503 0.030 1 200 26 26 GLY N N 108.329 0.030 1 201 27 27 ASP H H 8.629 0.030 1 202 27 27 ASP HA H 4 0.030 1 203 27 27 ASP HB2 H 2.331 0.030 2 204 27 27 ASP HB3 H 2.504 0.030 2 205 27 27 ASP C C 175.909 0.030 1 206 27 27 ASP CA C 56.367 0.030 1 207 27 27 ASP CB C 40.226 0.030 1 208 27 27 ASP N N 115.08 0.030 1 209 28 28 PHE H H 7.767 0.030 1 210 28 28 PHE HB2 H 2.808 0.030 2 211 28 28 PHE HB3 H 3.001 0.030 2 212 28 28 PHE C C 177.536 0.030 1 213 28 28 PHE CA C 59.215 0.030 1 214 28 28 PHE CB C 39.425 0.030 1 215 28 28 PHE N N 115.813 0.030 1 216 29 29 ASN H H 8.772 0.030 1 217 29 29 ASN C C 176.281 0.030 1 218 29 29 ASN CA C 57.185 0.030 1 219 29 29 ASN CB C 41.399 0.030 1 220 29 29 ASN N N 116.808 0.030 1 221 30 30 LEU H H 7.947 0.030 1 222 30 30 LEU HA H 4.123 0.030 1 223 30 30 LEU HB2 H 1.701 0.030 2 224 30 30 LEU HB3 H 1.701 0.030 2 225 30 30 LEU HD1 H 0.868 0.030 2 226 30 30 LEU HD2 H 0.906 0.030 2 227 30 30 LEU HG H 1.501 0.030 1 228 30 30 LEU CA C 60.941 0.030 1 229 30 30 LEU CB C 39.476 0.030 1 230 30 30 LEU CD1 C 24.176 0.030 2 231 30 30 LEU CD2 C 26.207 0.030 2 232 30 30 LEU CG C 27.118 0.030 1 233 30 30 LEU N N 118.864 0.030 1 234 31 31 PRO HA H 4.234 0.030 1 235 31 31 PRO HB2 H 1.495 0.030 2 236 31 31 PRO HB3 H 2.246 0.030 2 237 31 31 PRO HD2 H 3.052 0.030 2 238 31 31 PRO HD3 H 3.419 0.030 2 239 31 31 PRO HG2 H 1.705 0.030 2 240 31 31 PRO HG3 H 1.913 0.030 2 241 31 31 PRO C C 177.28 0.030 1 242 31 31 PRO CA C 65.293 0.030 1 243 31 31 PRO CB C 31.694 0.030 1 244 31 31 PRO CD C 50.179 0.030 1 245 31 31 PRO CG C 28.589 0.030 1 246 32 32 ARG H H 7.273 0.030 1 247 32 32 ARG HD2 H 2.069 0.030 2 248 32 32 ARG HD3 H 2.534 0.030 2 249 32 32 ARG C C 175.235 0.030 1 250 32 32 ARG CA C 54.344 0.030 1 251 32 32 ARG CB C 30.822 0.030 1 252 32 32 ARG CD C 42.481 0.030 1 253 32 32 ARG N N 112.696 0.030 1 254 33 33 ASP H H 7.47 0.030 1 255 33 33 ASP HA H 4.665 0.030 1 256 33 33 ASP HB2 H 2.576 0.030 2 257 33 33 ASP HB3 H 3.053 0.030 2 258 33 33 ASP C C 174.329 0.030 1 259 33 33 ASP CA C 53.16 0.030 1 260 33 33 ASP CB C 40.837 0.030 1 261 33 33 ASP N N 123.233 0.030 1 262 34 34 LYS H H 8.465 0.030 1 263 34 34 LYS HA H 3.758 0.030 1 264 34 34 LYS HB2 H 1.863 0.030 2 265 34 34 LYS HE2 H 2.651 0.030 2 266 34 34 LYS HE3 H 2.807 0.030 2 267 34 34 LYS HG2 H 1.395 0.030 2 268 34 34 LYS HG3 H 1.526 0.030 2 269 34 34 LYS C C 178.117 0.030 1 270 34 34 LYS CA C 60.579 0.030 1 271 34 34 LYS CB C 32.607 0.030 1 272 34 34 LYS CE C 41.752 0.030 1 273 34 34 LYS CG C 25.293 0.030 1 274 34 34 LYS N N 126.574 0.030 1 275 35 35 PHE H H 8.247 0.030 1 276 35 35 PHE HA H 4.135 0.030 1 277 35 35 PHE HB2 H 2.789 0.030 2 278 35 35 PHE HB3 H 3.003 0.030 2 279 35 35 PHE C C 178.094 0.030 1 280 35 35 PHE CA C 61.132 0.030 1 281 35 35 PHE CB C 39.618 0.030 1 282 35 35 PHE N N 118.093 0.030 1 283 36 36 LEU H H 8.095 0.030 1 284 36 36 LEU HA H 3.724 0.030 1 285 36 36 LEU HB2 H 1.319 0.030 2 286 36 36 LEU HB3 H 1.319 0.030 2 287 36 36 LEU HD1 H 0.5 0.030 2 288 36 36 LEU HD2 H 0.273 0.030 2 289 36 36 LEU HG H 1.365 0.030 1 290 36 36 LEU C C 178.396 0.030 1 291 36 36 LEU CA C 57.343 0.030 1 292 36 36 LEU CB C 42.481 0.030 1 293 36 36 LEU CD1 C 23.769 0.030 2 294 36 36 LEU CD2 C 25.32 0.030 2 295 36 36 LEU CG C 27.118 0.030 1 296 36 36 LEU N N 121.177 0.030 1 297 37 37 LYS H H 8.812 0.030 1 298 37 37 LYS HA H 3.704 0.030 1 299 37 37 LYS HB2 H 1.612 0.030 2 300 37 37 LYS HB3 H 1.825 0.030 2 301 37 37 LYS HD2 H 1.513 0.030 2 302 37 37 LYS HG2 H 1.247 0.030 2 303 37 37 LYS HG3 H 1.733 0.030 2 304 37 37 LYS C C 179.163 0.030 1 305 37 37 LYS CA C 60.579 0.030 1 306 37 37 LYS CB C 31.699 0.030 1 307 37 37 LYS CD C 29.561 0.030 1 308 37 37 LYS CG C 26.208 0.030 1 309 37 37 LYS N N 118.093 0.030 1 310 38 38 GLU H H 7.316 0.030 1 311 38 38 GLU HA H 3.979 0.030 1 312 38 38 GLU HB2 H 1.928 0.030 2 313 38 38 GLU HB3 H 1.99 0.030 2 314 38 38 GLU HG2 H 2.218 0.030 2 315 38 38 GLU HG3 H 2.342 0.030 2 316 38 38 GLU C C 179.418 0.030 1 317 38 38 GLU CA C 58.527 0.030 1 318 38 38 GLU CB C 28.75 0.030 1 319 38 38 GLU CG C 35.96 0.030 1 320 38 38 GLU N N 116.294 0.030 1 321 39 39 GLN H H 7.619 0.030 1 322 39 39 GLN HA H 3.825 0.030 1 323 39 39 GLN HB2 H 1.885 0.030 2 324 39 39 GLN HB3 H 2.15 0.030 2 325 39 39 GLN HG2 H 1.714 0.030 2 326 39 39 GLN HG3 H 1.841 0.030 2 327 39 39 GLN CA C 57.588 0.030 1 328 39 39 GLN CB C 28.241 0.030 1 329 39 39 GLN CG C 32.303 0.030 1 330 39 39 GLN N N 117.579 0.030 1 331 40 40 ILE HA H 3.953 0.030 1 332 40 40 ILE HB H 2.104 0.030 1 333 40 40 ILE HD1 H 0.836 0.030 1 334 40 40 ILE HG12 H 1.268 0.030 2 335 40 40 ILE HG13 H 1.427 0.030 2 336 40 40 ILE HG2 H 1.016 0.030 1 337 40 40 ILE CA C 64.605 0.030 1 338 40 40 ILE CB C 38.399 0.030 1 339 40 40 ILE CD1 C 14.696 0.030 1 340 40 40 ILE CG1 C 27.122 0.030 1 341 40 40 ILE CG2 C 17.148 0.030 1 342 41 41 LYS H H 6.964 0.030 1 343 41 41 LYS HA H 4.207 0.030 1 344 41 41 LYS HB2 H 1.777 0.030 2 345 41 41 LYS HB3 H 1.889 0.030 2 346 41 41 LYS HD2 H 1.651 0.030 2 347 41 41 LYS HG2 H 1.414 0.030 2 348 41 41 LYS HG3 H 1.639 0.030 2 349 41 41 LYS C C 178.442 0.030 1 350 41 41 LYS CA C 57.33 0.030 1 351 41 41 LYS CB C 33.322 0.030 1 352 41 41 LYS CD C 29.56 0.030 1 353 41 41 LYS CG C 24.988 0.030 1 354 41 41 LYS N N 117.833 0.030 1 355 42 42 LEU H H 7.047 0.030 1 356 42 42 LEU HA H 4.055 0.030 1 357 42 42 LEU HB2 H 1.499 0.030 2 358 42 42 LEU HB3 H 1.846 0.030 2 359 42 42 LEU HD1 H 0.815 0.030 2 360 42 42 LEU HD2 H 0.905 0.030 2 361 42 42 LEU HG H 1.828 0.030 1 362 42 42 LEU C C 177.652 0.030 1 363 42 42 LEU CA C 57.693 0.030 1 364 42 42 LEU CB C 42.481 0.030 1 365 42 42 LEU CD1 C 22.214 0.030 2 366 42 42 LEU CD2 C 25.32 0.030 2 367 42 42 LEU CG C 26.301 0.030 1 368 42 42 LEU N N 117.58 0.030 1 369 43 43 ASP H H 9.397 0.030 1 370 43 43 ASP HA H 4.878 0.030 1 371 43 43 ASP HB2 H 2.371 0.030 2 372 43 43 ASP HB3 H 2.799 0.030 2 373 43 43 ASP C C 174.608 0.030 1 374 43 43 ASP CA C 53.224 0.030 1 375 43 43 ASP CB C 41.01 0.030 1 376 43 43 ASP N N 121.112 0.030 1 377 44 44 GLU H H 8.989 0.030 1 378 44 44 GLU HA H 3.767 0.030 1 379 44 44 GLU HB2 H 2.135 0.030 2 380 44 44 GLU HG2 H 2.165 0.030 2 381 44 44 GLU HG3 H 2.311 0.030 2 382 44 44 GLU C C 175.142 0.030 1 383 44 44 GLU CA C 57.219 0.030 1 384 44 44 GLU CB C 28.098 0.030 1 385 44 44 GLU CG C 37.415 0.030 1 386 44 44 GLU N N 114.047 0.030 1 387 45 45 GLY H H 7.557 0.030 1 388 45 45 GLY HA2 H 3.662 0.030 2 389 45 45 GLY HA3 H 4.103 0.030 2 390 45 45 GLY C C 173.562 0.030 1 391 45 45 GLY CA C 45.708 0.030 1 392 45 45 GLY N N 106.815 0.030 1 393 46 46 TRP H H 7.707 0.030 1 394 46 46 TRP HA H 4.493 0.030 1 395 46 46 TRP HB2 H 2.74 0.030 2 396 46 46 TRP HB3 H 3.619 0.030 2 397 46 46 TRP HD1 H 7.556 0.030 1 398 46 46 TRP HE3 H 6.777 0.030 1 399 46 46 TRP HZ2 H 7.356 0.030 1 400 46 46 TRP CA C 57.171 0.030 1 401 46 46 TRP CB C 30.475 0.030 1 402 46 46 TRP CD1 C 129.513 0.030 1 403 46 46 TRP CE3 C 117.731 0.030 1 404 46 46 TRP CZ2 C 114.074 0.030 1 405 46 46 TRP N N 117.58 0.030 1 406 47 47 VAL H H 10.174 0.030 1 407 47 47 VAL HA H 4.81 0.030 1 408 47 47 VAL HB H 2.155 0.030 1 409 47 47 VAL HG1 H 1.021 0.030 2 410 47 47 VAL HG2 H 1.103 0.030 2 411 47 47 VAL CA C 59.43 0.030 1 412 47 47 VAL CB C 35.29 0.030 1 413 47 47 VAL CG1 C 20.907 0.030 2 414 47 47 VAL CG2 C 21.724 0.030 2 415 47 47 VAL N N 125.821 0.030 1 416 48 48 PRO HB2 H 1.939 0.030 2 417 48 48 PRO HB3 H 2.726 0.030 2 418 48 48 PRO HD2 H 3.692 0.030 2 419 48 48 PRO HD3 H 4.144 0.030 2 420 48 48 PRO HG2 H 2.016 0.030 2 421 48 48 PRO HG3 H 2.222 0.030 2 422 48 48 PRO CA C 62.525 0.030 1 423 48 48 PRO CB C 32.965 0.030 1 424 48 48 PRO CD C 48.883 0.030 1 425 48 48 PRO CG C 27.935 0.030 1 426 49 49 LEU H H 8.921 0.030 1 427 49 49 LEU HA H 3.661 0.030 1 428 49 49 LEU HB2 H 0.344 0.030 2 429 49 49 LEU HB3 H 0.343 0.030 2 430 49 49 LEU HD1 H 0.554 0.030 2 431 49 49 LEU HD2 H 0.539 0.030 2 432 49 49 LEU HG H 1.128 0.030 1 433 49 49 LEU C C 177.536 0.030 1 434 49 49 LEU CA C 60.106 0.030 1 435 49 49 LEU CB C 39.618 0.030 1 436 49 49 LEU CD1 C 23.522 0.030 2 437 49 49 LEU CD2 C 26.464 0.030 2 438 49 49 LEU CG C 27.281 0.030 1 439 49 49 LEU N N 127.083 0.030 1 440 50 50 GLU H H 8.806 0.030 1 441 50 50 GLU HA H 4.144 0.030 1 442 50 50 GLU HB2 H 2.062 0.030 2 443 50 50 GLU HB3 H 2.177 0.030 2 444 50 50 GLU HG2 H 2.413 0.030 2 445 50 50 GLU C C 177.303 0.030 1 446 50 50 GLU CA C 59.693 0.030 1 447 50 50 GLU CB C 29.796 0.030 1 448 50 50 GLU CG C 36.271 0.030 1 449 50 50 GLU N N 116.83 0.030 1 450 51 51 ILE H H 7.166 0.030 1 451 51 51 ILE HA H 4.141 0.030 1 452 51 51 ILE HB H 2.227 0.030 1 453 51 51 ILE HD1 H 0.896 0.030 1 454 51 51 ILE HG12 H 1.498 0.030 2 455 51 51 ILE HG13 H 1.667 0.030 2 456 51 51 ILE HG2 H 1.108 0.030 1 457 51 51 ILE C C 178.28 0.030 1 458 51 51 ILE CA C 61.802 0.030 1 459 51 51 ILE CB C 36.861 0.030 1 460 51 51 ILE CD1 C 10.61 0.030 1 461 51 51 ILE CG1 C 28.098 0.030 1 462 51 51 ILE CG2 C 17.674 0.030 1 463 51 51 ILE N N 116.823 0.030 1 464 52 52 MET H H 7.691 0.030 1 465 52 52 MET HA H 4.29 0.030 1 466 52 52 MET HB2 H 1.822 0.030 2 467 52 52 MET HB3 H 2.135 0.030 2 468 52 52 MET HE H 1.186 0.030 1 469 52 52 MET HG2 H 2.405 0.030 2 470 52 52 MET C C 179.163 0.030 1 471 52 52 MET CA C 54.976 0.030 1 472 52 52 MET CB C 27.664 0.030 1 473 52 52 MET CE C 14.017 0.030 1 474 52 52 MET CG C 29.255 0.030 1 475 52 52 MET N N 117.58 0.030 1 476 53 53 ILE H H 8.228 0.030 1 477 53 53 ILE HA H 4.298 0.030 1 478 53 53 ILE HB H 2.257 0.030 1 479 53 53 ILE HD1 H 1.095 0.030 1 480 53 53 ILE HG12 H 1.483 0.030 2 481 53 53 ILE HG13 H 1.719 0.030 2 482 53 53 ILE HG2 H 1.126 0.030 1 483 53 53 ILE C C 176.141 0.030 1 484 53 53 ILE CA C 63.347 0.030 1 485 53 53 ILE CB C 38.295 0.030 1 486 53 53 ILE CD1 C 15.023 0.030 1 487 53 53 ILE CG1 C 26.791 0.030 1 488 53 53 ILE CG2 C 18.455 0.030 1 489 53 53 ILE N N 109.843 0.030 1 490 54 54 LYS H H 8.032 0.030 1 491 54 54 LYS C C 177.303 0.030 1 492 54 54 LYS CA C 57.297 0.030 1 493 54 54 LYS CB C 32.163 0.030 1 494 54 54 LYS N N 119.851 0.030 1 495 55 55 PHE H H 8.614 0.030 1 496 55 55 PHE CA C 57.756 0.030 1 497 55 55 PHE CB C 35.976 0.030 1 498 55 55 PHE N N 124.559 0.030 1 499 57 57 ARG C C 172.911 0.030 1 500 57 57 ARG CA C 60.658 0.030 1 501 58 58 LEU H H 7.396 0.030 1 502 58 58 LEU HA H 4.475 0.030 1 503 58 58 LEU HB2 H 1.527 0.030 2 504 58 58 LEU HB3 H 2.45 0.030 2 505 58 58 LEU HD1 H 1.066 0.030 2 506 58 58 LEU HD2 H 0.934 0.030 2 507 58 58 LEU HG H 1.812 0.030 1 508 58 58 LEU C C 177.071 0.030 1 509 58 58 LEU CA C 57.328 0.030 1 510 58 58 LEU CB C 42.871 0.030 1 511 58 58 LEU CD1 C 24.379 0.030 2 512 58 58 LEU CD2 C 25.598 0.030 2 513 58 58 LEU CG C 27.731 0.030 1 514 58 58 LEU N N 118.58 0.030 1 515 59 59 ASN H H 8.591 0.030 1 516 59 59 ASN HA H 4.436 0.030 1 517 59 59 ASN HB2 H 2.936 0.030 2 518 59 59 ASN HB3 H 2.936 0.030 2 519 59 59 ASN C C 176.629 0.030 1 520 59 59 ASN CA C 56.276 0.030 1 521 59 59 ASN CB C 38.198 0.030 1 522 59 59 ASN N N 117.327 0.030 1 523 60 60 ARG H H 7.429 0.030 1 524 60 60 ARG HA H 4.085 0.030 1 525 60 60 ARG HB2 H 1.832 0.030 2 526 60 60 ARG HD2 H 3.125 0.030 2 527 60 60 ARG HD3 H 3.164 0.030 2 528 60 60 ARG HG2 H 1.718 0.030 2 529 60 60 ARG C C 177.373 0.030 1 530 60 60 ARG CA C 57.314 0.030 1 531 60 60 ARG CB C 30.074 0.030 1 532 60 60 ARG CD C 43.884 0.030 1 533 60 60 ARG CG C 27.427 0.030 1 534 60 60 ARG N N 114.299 0.030 1 535 61 61 LEU H H 7.821 0.030 1 536 61 61 LEU HA H 4.288 0.030 1 537 61 61 LEU HB2 H 1.24 0.030 2 538 61 61 LEU HB3 H 2.311 0.030 2 539 61 61 LEU HD1 H 0.839 0.030 2 540 61 61 LEU HD2 H 0.887 0.030 2 541 61 61 LEU HG H 2.02 0.030 1 542 61 61 LEU C C 176.606 0.030 1 543 61 61 LEU CA C 56.579 0.030 1 544 61 61 LEU CB C 42.16 0.030 1 545 61 61 LEU CD1 C 22.55 0.030 2 546 61 61 LEU CD2 C 26.512 0.030 2 547 61 61 LEU CG C 26.512 0.030 1 548 61 61 LEU N N 120.103 0.030 1 549 62 62 THR H H 8.211 0.030 1 550 62 62 THR HA H 4.472 0.030 1 551 62 62 THR HB H 4.356 0.030 1 552 62 62 THR HG2 H 0.91 0.030 1 553 62 62 THR C C 177.9 0.030 1 554 62 62 THR CA C 62.136 0.030 1 555 62 62 THR CB C 67.131 0.030 1 556 62 62 THR CG2 C 19.926 0.030 1 557 62 62 THR N N 112.366 0.030 1 558 63 63 THR H H 7.821 0.030 1 559 63 63 THR HA H 4.562 0.030 1 560 63 63 THR HG2 H 1.239 0.030 1 561 63 63 THR C C 173.143 0.030 1 562 63 63 THR CA C 60.131 0.030 1 563 63 63 THR CB C 68.867 0.030 1 564 63 63 THR CG2 C 22.378 0.030 1 565 63 63 THR N N 109.843 0.030 1 566 64 64 ASP H H 8.793 0.030 1 567 64 64 ASP HA H 4.528 0.030 1 568 64 64 ASP HB2 H 2.449 0.030 2 569 64 64 ASP HB3 H 2.983 0.030 2 570 64 64 ASP C C 176.792 0.030 1 571 64 64 ASP CA C 53.494 0.030 1 572 64 64 ASP CB C 41.991 0.030 1 573 64 64 ASP N N 125.064 0.030 1 574 65 65 PHE H H 8.962 0.030 1 575 65 65 PHE HA H 4.248 0.030 1 576 65 65 PHE HB2 H 3.175 0.030 2 577 65 65 PHE HB3 H 3.375 0.030 2 578 65 65 PHE HD1 H 7.154 0.030 3 579 65 65 PHE CA C 58.648 0.030 1 580 65 65 PHE CB C 37.584 0.030 1 581 65 65 PHE CD1 C 128.903 0.030 3 582 65 65 PHE N N 126.83 0.030 1 583 66 66 ASN H H 8.464 0.030 1 584 66 66 ASN HA H 4.405 0.030 1 585 66 66 ASN HB2 H 2.748 0.030 2 586 66 66 ASN HB3 H 2.945 0.030 2 587 66 66 ASN C C 177.884 0.030 1 588 66 66 ASN CA C 56.23 0.030 1 589 66 66 ASN CB C 38.298 0.030 1 590 66 66 ASN N N 115.561 0.030 1 591 67 67 VAL H H 7.559 0.030 1 592 67 67 VAL HA H 3.621 0.030 1 593 67 67 VAL HB H 2.279 0.030 1 594 67 67 VAL HG1 H 0.903 0.030 2 595 67 67 VAL HG2 H 0.979 0.030 2 596 67 67 VAL C C 178.489 0.030 1 597 67 67 VAL CA C 66.48 0.030 1 598 67 67 VAL CB C 31.858 0.030 1 599 67 67 VAL CG1 C 20.907 0.030 2 600 67 67 VAL CG2 C 22.705 0.030 2 601 67 67 VAL N N 121.617 0.030 1 602 68 68 ILE H H 7.72 0.030 1 603 68 68 ILE HA H 3.497 0.030 1 604 68 68 ILE HB H 1.913 0.030 1 605 68 68 ILE HD1 H 0.748 0.030 1 606 68 68 ILE HG12 H 0.639 0.030 2 607 68 68 ILE HG13 H 1.945 0.030 2 608 68 68 ILE HG2 H 0.661 0.030 1 609 68 68 ILE C C 176.995 0.030 1 610 68 68 ILE CA C 66.299 0.030 1 611 68 68 ILE CB C 37.205 0.030 1 612 68 68 ILE CD1 C 13.879 0.030 1 613 68 68 ILE CG1 C 30.17 0.030 1 614 68 68 ILE CG2 C 17.148 0.030 1 615 68 68 ILE N N 118.589 0.030 1 616 69 69 VAL H H 8.269 0.030 1 617 69 69 VAL HA H 3.516 0.030 1 618 69 69 VAL HB H 2.2 0.030 1 619 69 69 VAL HG1 H 0.947 0.030 2 620 69 69 VAL HG2 H 1.098 0.030 2 621 69 69 VAL C C 178.465 0.030 1 622 69 69 VAL CA C 67.102 0.030 1 623 69 69 VAL CB C 31.693 0.030 1 624 69 69 VAL CG1 C 22.246 0.030 2 625 69 69 VAL CG2 C 22.705 0.030 2 626 69 69 VAL N N 116.57 0.030 1 627 70 70 GLU H H 8.339 0.030 1 628 70 70 GLU C C 179.093 0.030 1 629 70 70 GLU CA C 59.523 0.030 1 630 70 70 GLU CB C 29.322 0.030 1 631 70 70 GLU N N 122.122 0.030 1 632 71 71 ALA H H 8.199 0.030 1 633 71 71 ALA HA H 3.794 0.030 1 634 71 71 ALA HB H 1.601 0.030 1 635 71 71 ALA C C 180.023 0.030 1 636 71 71 ALA CA C 55.576 0.030 1 637 71 71 ALA CB C 18.946 0.030 1 638 71 71 ALA N N 120.608 0.030 1 639 72 72 LEU H H 8.311 0.030 1 640 72 72 LEU HB2 H 1.348 0.030 2 641 72 72 LEU HB3 H 1.79 0.030 2 642 72 72 LEU HD1 H 0.869 0.030 2 643 72 72 LEU HD2 H 0.76 0.030 2 644 72 72 LEU HG H 1.868 0.030 1 645 72 72 LEU C C 180.278 0.030 1 646 72 72 LEU CA C 57.257 0.030 1 647 72 72 LEU CB C 42.645 0.030 1 648 72 72 LEU CD1 C 23.195 0.030 2 649 72 72 LEU CD2 C 26.301 0.030 2 650 72 72 LEU CG C 26.464 0.030 1 651 72 72 LEU N N 115.813 0.030 1 652 73 73 SER H H 8.38 0.030 1 653 73 73 SER HA H 4.188 0.030 1 654 73 73 SER HB2 H 3.948 0.030 2 655 73 73 SER HB3 H 4.002 0.030 2 656 73 73 SER C C 174.77 0.030 1 657 73 73 SER CA C 61.488 0.030 1 658 73 73 SER CB C 62.947 0.030 1 659 73 73 SER N N 115.813 0.030 1 660 74 74 LYS H H 7.147 0.030 1 661 74 74 LYS HA H 4.396 0.030 1 662 74 74 LYS HB2 H 1.673 0.030 2 663 74 74 LYS HB3 H 1.989 0.030 2 664 74 74 LYS HD2 H 1.632 0.030 2 665 74 74 LYS HE2 H 2.895 0.030 2 666 74 74 LYS HG2 H 1.358 0.030 2 667 74 74 LYS HG3 H 1.554 0.030 2 668 74 74 LYS C C 176.583 0.030 1 669 74 74 LYS CA C 55.94 0.030 1 670 74 74 LYS CB C 33.217 0.030 1 671 74 74 LYS CD C 29.56 0.030 1 672 74 74 LYS CE C 42.36 0.030 1 673 74 74 LYS CG C 25.293 0.030 1 674 74 74 LYS N N 119.094 0.030 1 675 75 75 SER H H 7.218 0.030 1 676 75 75 SER HA H 4.81 0.030 1 677 75 75 SER HB2 H 3.898 0.030 2 678 75 75 SER HB3 H 4.313 0.030 2 679 75 75 SER C C 175.793 0.030 1 680 75 75 SER CA C 58.466 0.030 1 681 75 75 SER CB C 63.5 0.030 1 682 75 75 SER N N 114.047 0.030 1 683 76 76 LYS H H 9.282 0.030 1 684 76 76 LYS HA H 4.413 0.030 1 685 76 76 LYS HB2 H 1.77 0.030 2 686 76 76 LYS HB3 H 2.008 0.030 2 687 76 76 LYS HD2 H 1.687 0.030 2 688 76 76 LYS HE2 H 3.044 0.030 2 689 76 76 LYS HG2 H 1.499 0.030 2 690 76 76 LYS HG3 H 1.564 0.030 2 691 76 76 LYS C C 177.373 0.030 1 692 76 76 LYS CA C 56.367 0.030 1 693 76 76 LYS CB C 32.303 0.030 1 694 76 76 LYS CD C 28.646 0.030 1 695 76 76 LYS CE C 43.274 0.030 1 696 76 76 LYS CG C 25.293 0.030 1 697 76 76 LYS N N 127.587 0.030 1 698 77 77 ALA H H 8.45 0.030 1 699 77 77 ALA HA H 4.074 0.030 1 700 77 77 ALA HB H 1.355 0.030 1 701 77 77 ALA C C 177.001 0.030 1 702 77 77 ALA CA C 54.029 0.030 1 703 77 77 ALA CB C 18.619 0.030 1 704 77 77 ALA N N 122.288 0.030 1 705 78 78 GLU H H 7.798 0.030 1 706 78 78 GLU HA H 3.903 0.030 1 707 78 78 GLU HB2 H 1.995 0.030 2 708 78 78 GLU HB3 H 2.083 0.030 2 709 78 78 GLU HG2 H 2.114 0.030 2 710 78 78 GLU C C 178.465 0.030 1 711 78 78 GLU CA C 56.365 0.030 1 712 78 78 GLU CB C 27.427 0.030 1 713 78 78 GLU CG C 36.569 0.030 1 714 78 78 GLU N N 110.862 0.030 1 715 79 79 LEU H H 7.874 0.030 1 716 79 79 LEU HA H 4.241 0.030 1 717 79 79 LEU HB2 H 1.31 0.030 2 718 79 79 LEU HB3 H 1.501 0.030 2 719 79 79 LEU HD1 H 0.882 0.030 2 720 79 79 LEU HD2 H 0.822 0.030 2 721 79 79 LEU C C 175.653 0.030 1 722 79 79 LEU CA C 56.869 0.030 1 723 79 79 LEU CB C 45.26 0.030 1 724 79 79 LEU CD1 C 22.855 0.030 2 725 79 79 LEU CD2 C 26.301 0.030 2 726 79 79 LEU N N 120.355 0.030 1 727 80 80 MET H H 8.128 0.030 1 728 80 80 MET HA H 5.158 0.030 1 729 80 80 MET HB2 H 1.572 0.030 2 730 80 80 MET HB3 H 1.939 0.030 2 731 80 80 MET HE H 0.467 0.030 1 732 80 80 MET HG2 H 2.256 0.030 2 733 80 80 MET HG3 H 2.384 0.030 2 734 80 80 MET C C 177.118 0.030 1 735 80 80 MET CA C 51.407 0.030 1 736 80 80 MET CB C 30.475 0.030 1 737 80 80 MET CE C 13.879 0.030 1 738 80 80 MET CG C 31.389 0.030 1 739 80 80 MET N N 111.862 0.030 1 740 81 81 GLU H H 9.452 0.030 1 741 81 81 GLU HA H 4.599 0.030 1 742 81 81 GLU HB2 H 1.576 0.030 2 743 81 81 GLU HB3 H 1.929 0.030 2 744 81 81 GLU HG2 H 2.056 0.030 2 745 81 81 GLU HG3 H 2.226 0.030 2 746 81 81 GLU C C 174.561 0.030 1 747 81 81 GLU CA C 54.417 0.030 1 748 81 81 GLU CB C 33.523 0.030 1 749 81 81 GLU CG C 36.57 0.030 1 750 81 81 GLU N N 121.33 0.030 1 751 82 82 ILE H H 8.701 0.030 1 752 82 82 ILE HA H 4.783 0.030 1 753 82 82 ILE HB H 1.667 0.030 1 754 82 82 ILE HD1 H 0.845 0.030 1 755 82 82 ILE HG12 H 0.958 0.030 2 756 82 82 ILE HG13 H 1.495 0.030 2 757 82 82 ILE HG2 H 1.126 0.030 1 758 82 82 ILE C C 175.909 0.030 1 759 82 82 ILE CA C 60.253 0.030 1 760 82 82 ILE CB C 40.847 0.030 1 761 82 82 ILE CD1 C 15.023 0.030 1 762 82 82 ILE CG1 C 28.341 0.030 1 763 82 82 ILE CG2 C 18.946 0.030 1 764 82 82 ILE N N 122.122 0.030 1 765 83 83 SER H H 8.559 0.030 1 766 83 83 SER HA H 3.672 0.030 1 767 83 83 SER HB2 H 2.265 0.030 2 768 83 83 SER HB3 H 3.487 0.030 2 769 83 83 SER CA C 59.382 0.030 1 770 83 83 SER CB C 62.717 0.030 1 771 83 83 SER N N 124.559 0.030 1 772 84 84 GLU H H 8.881 0.030 1 773 84 84 GLU HA H 3.943 0.030 1 774 84 84 GLU HB2 H 1.931 0.030 2 775 84 84 GLU HB3 H 1.982 0.030 2 776 84 84 GLU HG2 H 2.228 0.030 2 777 84 84 GLU HG3 H 2.303 0.030 2 778 84 84 GLU C C 176.444 0.030 1 779 84 84 GLU CA C 59.807 0.030 1 780 84 84 GLU CB C 29.255 0.030 1 781 84 84 GLU CG C 36.265 0.030 1 782 84 84 GLU N N 124.055 0.030 1 783 85 85 ASP H H 8.047 0.030 1 784 85 85 ASP HA H 4.377 0.030 1 785 85 85 ASP HB2 H 2.495 0.030 2 786 85 85 ASP HB3 H 2.971 0.030 2 787 85 85 ASP C C 177.421 0.030 1 788 85 85 ASP CA C 52.948 0.030 1 789 85 85 ASP CB C 40.03 0.030 1 790 85 85 ASP N N 114.047 0.030 1 791 86 86 LYS H H 8.026 0.030 1 792 86 86 LYS HA H 3.532 0.030 1 793 86 86 LYS HB2 H 1.97 0.030 2 794 86 86 LYS HB3 H 2.132 0.030 2 795 86 86 LYS HD2 H 1.566 0.030 2 796 86 86 LYS HD3 H 1.706 0.030 2 797 86 86 LYS HE2 H 2.957 0.030 2 798 86 86 LYS HG2 H 1.226 0.030 2 799 86 86 LYS HG3 H 1.382 0.030 2 800 86 86 LYS C C 175.049 0.030 1 801 86 86 LYS CA C 57.629 0.030 1 802 86 86 LYS CB C 29.561 0.030 1 803 86 86 LYS CD C 29.561 0.030 1 804 86 86 LYS CE C 42.665 0.030 1 805 86 86 LYS CG C 25.598 0.030 1 806 86 86 LYS N N 113.038 0.030 1 807 87 87 THR H H 7.563 0.030 1 808 87 87 THR HA H 4.364 0.030 1 809 87 87 THR HB H 4.214 0.030 1 810 87 87 THR HG2 H 1.039 0.030 1 811 87 87 THR C C 175.096 0.030 1 812 87 87 THR CA C 62.421 0.030 1 813 87 87 THR CB C 71.077 0.030 1 814 87 87 THR CG2 C 20.743 0.030 1 815 87 87 THR N N 103.116 0.030 1 816 88 88 LYS H H 7.867 0.030 1 817 88 88 LYS HA H 5.007 0.030 1 818 88 88 LYS HB2 H 1.271 0.030 2 819 88 88 LYS HB3 H 1.727 0.030 2 820 88 88 LYS HD2 H 1.266 0.030 2 821 88 88 LYS HD3 H 1.38 0.030 2 822 88 88 LYS HG2 H 1.155 0.030 2 823 88 88 LYS C C 173.492 0.030 1 824 88 88 LYS CA C 54.874 0.030 1 825 88 88 LYS CB C 36.761 0.030 1 826 88 88 LYS CD C 29.865 0.030 1 827 88 88 LYS CG C 23.465 0.030 1 828 88 88 LYS N N 120.608 0.030 1 829 89 89 ILE H H 8.376 0.030 1 830 89 89 ILE HA H 5.746 0.030 1 831 89 89 ILE HB H 1.593 0.030 1 832 89 89 ILE HD1 H 0.625 0.030 1 833 89 89 ILE HG2 H 0.711 0.030 1 834 89 89 ILE C C 173.817 0.030 1 835 89 89 ILE CA C 59.159 0.030 1 836 89 89 ILE CB C 42.969 0.030 1 837 89 89 ILE CD1 C 14.696 0.030 1 838 89 89 ILE CG2 C 17.475 0.030 1 839 89 89 ILE N N 111.609 0.030 1 840 90 90 ARG H H 8.499 0.030 1 841 90 90 ARG HA H 4.335 0.030 1 842 90 90 ARG HB2 H 0.883 0.030 2 843 90 90 ARG HB3 H 1.168 0.030 2 844 90 90 ARG HD2 H 0.235 0.030 2 845 90 90 ARG HD3 H 2.096 0.030 2 846 90 90 ARG HG2 H -0.119 0.030 2 847 90 90 ARG HG3 H 0.401 0.030 2 848 90 90 ARG C C 173.701 0.030 1 849 90 90 ARG CA C 54.096 0.030 1 850 90 90 ARG CB C 34.742 0.030 1 851 90 90 ARG CD C 43.275 0.030 1 852 90 90 ARG CG C 24.075 0.030 1 853 90 90 ARG N N 115.561 0.030 1 854 91 91 ARG H H 9.226 0.030 1 855 91 91 ARG HA H 4.415 0.030 1 856 91 91 ARG HD2 H 2.933 0.030 2 857 91 91 ARG HD3 H 3.826 0.030 2 858 91 91 ARG HG2 H 1.505 0.030 2 859 91 91 ARG HG3 H 1.578 0.030 2 860 91 91 ARG C C 176.165 0.030 1 861 91 91 ARG CA C 56.334 0.030 1 862 91 91 ARG CD C 43.58 0.030 1 863 91 91 ARG CG C 28.341 0.030 1 864 91 91 ARG N N 124.58 0.030 1 865 92 92 SER H H 9.262 0.030 1 866 92 92 SER HA H 4.81 0.030 1 867 92 92 SER HB2 H 3.52 0.030 2 868 92 92 SER HB3 H 3.768 0.030 2 869 92 92 SER CA C 56.272 0.030 1 870 92 92 SER CB C 64.447 0.030 1 871 92 92 SER N N 122.83 0.030 1 872 93 93 PRO HA H 4.227 0.030 1 873 93 93 PRO HB2 H 1.85 0.030 2 874 93 93 PRO HB3 H 2.236 0.030 2 875 93 93 PRO HD2 H 3.501 0.030 2 876 93 93 PRO HD3 H 3.747 0.030 2 877 93 93 PRO HG2 H 1.73 0.030 2 878 93 93 PRO HG3 H 1.914 0.030 2 879 93 93 PRO C C 177.931 0.030 1 880 93 93 PRO CA C 64.131 0.030 1 881 93 93 PRO CB C 31.858 0.030 1 882 93 93 PRO CD C 51.703 0.030 1 883 93 93 PRO CG C 27.427 0.030 1 884 94 94 SER H H 7.809 0.030 1 885 94 94 SER HA H 4.312 0.030 1 886 94 94 SER HB2 H 3.902 0.030 2 887 94 94 SER C C 173.143 0.030 1 888 94 94 SER CA C 59.001 0.030 1 889 94 94 SER CB C 62.947 0.030 1 890 94 94 SER N N 110.852 0.030 1 891 95 95 LYS H H 7.606 0.030 1 892 95 95 LYS HA H 4.842 0.030 1 893 95 95 LYS HB2 H 1.712 0.030 2 894 95 95 LYS HB3 H 1.832 0.030 2 895 95 95 LYS HG2 H 1.253 0.030 2 896 95 95 LYS HG3 H 1.495 0.030 2 897 95 95 LYS CA C 52.482 0.030 1 898 95 95 LYS CB C 31.999 0.030 1 899 95 95 LYS CG C 24.176 0.030 1 900 95 95 LYS N N 121.869 0.030 1 901 96 96 PRO HA H 4.354 0.030 1 902 96 96 PRO HB2 H 1.848 0.030 2 903 96 96 PRO HB3 H 2.196 0.030 2 904 96 96 PRO HD2 H 3.338 0.030 2 905 96 96 PRO HD3 H 3.576 0.030 2 906 96 96 PRO HG2 H 1.831 0.030 2 907 96 96 PRO HG3 H 1.885 0.030 2 908 96 96 PRO C C 177.21 0.030 1 909 96 96 PRO CA C 62.809 0.030 1 910 96 96 PRO CB C 31.858 0.030 1 911 96 96 PRO CD C 50.484 0.030 1 912 96 96 PRO CG C 27.118 0.030 1 913 97 97 LEU H H 8.518 0.030 1 914 97 97 LEU HA H 4.16 0.030 1 915 97 97 LEU HB2 H 1.405 0.030 2 916 97 97 LEU HB3 H 1.62 0.030 2 917 97 97 LEU HD1 H 0.845 0.030 2 918 97 97 LEU HD2 H 0.796 0.030 2 919 97 97 LEU HG H 1.588 0.030 1 920 97 97 LEU CA C 53.554 0.030 1 921 97 97 LEU CB C 41.446 0.030 1 922 97 97 LEU CD1 C 24.012 0.030 2 923 97 97 LEU CD2 C 25.483 0.030 2 924 97 97 LEU CG C 27.771 0.030 1 925 97 97 LEU N N 123.802 0.030 1 926 98 98 PRO HA H 4.16 0.030 1 927 98 98 PRO HB2 H 1.155 0.030 2 928 98 98 PRO HB3 H 1.898 0.030 2 929 98 98 PRO HD2 H 3.343 0.030 2 930 98 98 PRO HD3 H 3.574 0.030 2 931 98 98 PRO HG2 H 1.803 0.030 2 932 98 98 PRO C C 176.304 0.030 1 933 98 98 PRO CA C 62.24 0.030 1 934 98 98 PRO CB C 31.693 0.030 1 935 98 98 PRO CD C 50.179 0.030 1 936 98 98 PRO CG C 29.865 0.030 1 937 99 99 GLU H H 8.203 0.030 1 938 99 99 GLU HA H 4.007 0.030 1 939 99 99 GLU HB2 H 1.802 0.030 2 940 99 99 GLU HG2 H 2.074 0.030 2 941 99 99 GLU HG3 H 2.208 0.030 2 942 99 99 GLU C C 176.281 0.030 1 943 99 99 GLU CA C 55.994 0.030 1 944 99 99 GLU CB C 29.865 0.030 1 945 99 99 GLU CG C 36.265 0.030 1 946 99 99 GLU N N 122.288 0.030 1 947 100 100 VAL H H 8.65 0.030 1 948 100 100 VAL HA H 3.729 0.030 1 949 100 100 VAL HB H 1.982 0.030 1 950 100 100 VAL HG1 H 0.728 0.030 2 951 100 100 VAL HG2 H 0.873 0.030 2 952 100 100 VAL C C 175.746 0.030 1 953 100 100 VAL CA C 63.062 0.030 1 954 100 100 VAL CB C 30.169 0.030 1 955 100 100 VAL CG1 C 21.027 0.030 2 956 100 100 VAL CG2 C 22.246 0.030 2 957 100 100 VAL N N 127.335 0.030 1 958 101 101 THR H H 7.336 0.030 1 959 101 101 THR HA H 4.562 0.030 1 960 101 101 THR HG2 H 1.153 0.030 1 961 101 101 THR C C 175.026 0.030 1 962 101 101 THR CA C 59.632 0.030 1 963 101 101 THR CB C 72.025 0.030 1 964 101 101 THR CG2 C 21.941 0.030 1 965 101 101 THR N N 117.58 0.030 1 966 102 102 ASP H H 9.077 0.030 1 967 102 102 ASP HA H 4.349 0.030 1 968 102 102 ASP HB2 H 2.589 0.030 2 969 102 102 ASP HB3 H 2.619 0.030 2 970 102 102 ASP C C 178.396 0.030 1 971 102 102 ASP CA C 58.024 0.030 1 972 102 102 ASP CB C 40.226 0.030 1 973 102 102 ASP N N 121.617 0.030 1 974 103 103 GLU H H 8.615 0.030 1 975 103 103 GLU HA H 4.029 0.030 1 976 103 103 GLU HB2 H 1.957 0.030 2 977 103 103 GLU HG2 H 2.327 0.030 2 978 103 103 GLU C C 178.628 0.030 1 979 103 103 GLU CA C 59.926 0.030 1 980 103 103 GLU CB C 29.255 0.030 1 981 103 103 GLU CG C 36.875 0.030 1 982 103 103 GLU N N 119.851 0.030 1 983 104 104 TYR H H 8.088 0.030 1 984 104 104 TYR HA H 4.28 0.030 1 985 104 104 TYR HB2 H 3.145 0.030 2 986 104 104 TYR HB3 H 3.286 0.030 2 987 104 104 TYR HD1 H 7.042 0.030 3 988 104 104 TYR HE1 H 6.674 0.030 3 989 104 104 TYR C C 177.373 0.030 1 990 104 104 TYR CA C 61.387 0.030 1 991 104 104 TYR CB C 39.009 0.030 1 992 104 104 TYR CD1 C 131.950 0.030 3 993 104 104 TYR CE1 C 117.426 0.030 3 994 104 104 TYR N N 123.045 0.030 1 995 105 105 LYS H H 8.407 0.030 1 996 105 105 LYS C C 177.675 0.030 1 997 105 105 LYS CA C 59.923 0.030 1 998 105 105 LYS CB C 32.242 0.030 1 999 105 105 LYS N N 117.832 0.030 1 1000 106 106 ASN H H 8.279 0.030 1 1001 106 106 ASN HA H 4.382 0.030 1 1002 106 106 ASN HB2 H 2.786 0.030 2 1003 106 106 ASN C C 176.025 0.030 1 1004 106 106 ASN CA C 55.994 0.030 1 1005 106 106 ASN CB C 38.398 0.030 1 1006 106 106 ASN N N 119.094 0.030 1 1007 107 107 ASP H H 7.996 0.030 1 1008 107 107 ASP HA H 4.343 0.030 1 1009 107 107 ASP HB2 H 2.743 0.030 2 1010 107 107 ASP HB3 H 2.788 0.030 2 1011 107 107 ASP C C 178.047 0.030 1 1012 107 107 ASP CA C 57.738 0.030 1 1013 107 107 ASP CB C 42.055 0.030 1 1014 107 107 ASP N N 121.869 0.030 1 1015 108 108 VAL H H 7.985 0.030 1 1016 108 108 VAL HA H 3.346 0.030 1 1017 108 108 VAL HB H 1.88 0.030 1 1018 108 108 VAL HG1 H 0.656 0.030 2 1019 108 108 VAL HG2 H 0.887 0.030 2 1020 108 108 VAL C C 180.301 0.030 1 1021 108 108 VAL CA C 67.091 0.030 1 1022 108 108 VAL CB C 31.998 0.030 1 1023 108 108 VAL CG1 C 23.16 0.030 2 1024 108 108 VAL CG2 C 21.636 0.030 2 1025 108 108 VAL N N 117.327 0.030 1 1026 109 109 LYS H H 8.058 0.030 1 1027 109 109 LYS HA H 3.887 0.030 1 1028 109 109 LYS HB2 H 1.918 0.030 2 1029 109 109 LYS HB3 H 2.058 0.030 2 1030 109 109 LYS HD2 H 1.924 0.030 2 1031 109 109 LYS HD3 H 2.046 0.030 2 1032 109 109 LYS HE2 H 2.959 0.030 2 1033 109 109 LYS HG2 H 1.467 0.030 2 1034 109 109 LYS HG3 H 1.535 0.030 2 1035 109 109 LYS C C 179.163 0.030 1 1036 109 109 LYS CA C 60.709 0.030 1 1037 109 109 LYS CB C 31.693 0.030 1 1038 109 109 LYS CD C 31.389 0.030 1 1039 109 109 LYS CE C 42.665 0.030 1 1040 109 109 LYS CG C 24.379 0.030 1 1041 109 109 LYS N N 123.08 0.030 1 1042 110 110 ASN H H 8.042 0.030 1 1043 110 110 ASN HB2 H 2.782 0.030 2 1044 110 110 ASN HB3 H 2.966 0.030 2 1045 110 110 ASN C C 174.375 0.030 1 1046 110 110 ASN CA C 54.692 0.030 1 1047 110 110 ASN CB C 38.398 0.030 1 1048 110 110 ASN N N 117.327 0.030 1 1049 111 111 ARG H H 7.54 0.030 1 1050 111 111 ARG HA H 4.693 0.030 1 1051 111 111 ARG HB2 H 1.938 0.030 2 1052 111 111 ARG HG2 H 1.543 0.030 2 1053 111 111 ARG C C 174.329 0.030 1 1054 111 111 ARG CA C 54.867 0.030 1 1055 111 111 ARG CB C 31.084 0.030 1 1056 111 111 ARG CG C 27.732 0.030 1 1057 111 111 ARG N N 114.552 0.030 1 1058 112 112 SER H H 7.835 0.030 1 1059 112 112 SER HA H 5.917 0.030 1 1060 112 112 SER HB2 H 4.686 0.030 2 1061 112 112 SER C C 173.399 0.030 1 1062 112 112 SER CA C 58.465 0.030 1 1063 112 112 SER CB C 65.157 0.030 1 1064 112 112 SER N N 115.813 0.030 1 1065 113 113 VAL H H 9.651 0.030 1 1066 113 113 VAL HA H 4.672 0.030 1 1067 113 113 VAL HB H 2.043 0.030 1 1068 113 113 VAL HG1 H 0.976 0.030 2 1069 113 113 VAL HG2 H 0.873 0.030 2 1070 113 113 VAL C C 173.399 0.030 1 1071 113 113 VAL CA C 61.372 0.030 1 1072 113 113 VAL CB C 37.088 0.030 1 1073 113 113 VAL CG1 C 22.55 0.030 2 1074 113 113 VAL CG2 C 22.541 0.030 2 1075 113 113 VAL N N 123.802 0.030 1 1076 114 114 TYR H H 9.946 0.030 1 1077 114 114 TYR HA H 5.356 0.030 1 1078 114 114 TYR HB2 H 2.613 0.030 2 1079 114 114 TYR HB3 H 2.812 0.030 2 1080 114 114 TYR HD1 H 6.329 0.030 3 1081 114 114 TYR HE1 H 6.08 0.030 3 1082 114 114 TYR C C 173.306 0.030 1 1083 114 114 TYR CA C 56.026 0.030 1 1084 114 114 TYR CB C 41.447 0.030 1 1085 114 114 TYR CD1 C 131.341 0.030 3 1086 114 114 TYR CE1 C 117.122 0.030 3 1087 114 114 TYR N N 128.58 0.030 1 1088 115 115 ILE H H 8.078 0.030 1 1089 115 115 ILE HA H 4.958 0.030 1 1090 115 115 ILE HB H 1.571 0.030 1 1091 115 115 ILE HD1 H 1.117 0.030 1 1092 115 115 ILE HG2 H 0.602 0.030 1 1093 115 115 ILE C C 173.655 0.030 1 1094 115 115 ILE CA C 59.714 0.030 1 1095 115 115 ILE CB C 41.828 0.030 1 1096 115 115 ILE CD1 C 16.167 0.030 1 1097 115 115 ILE CG2 C 20.417 0.030 1 1098 115 115 ILE N N 124.055 0.030 1 1099 116 116 LYS H H 9.052 0.030 1 1100 116 116 LYS HA H 4.363 0.030 1 1101 116 116 LYS HB2 H 1.529 0.030 2 1102 116 116 LYS HB3 H 1.609 0.030 2 1103 116 116 LYS C C 174.654 0.030 1 1104 116 116 LYS CA C 54.803 0.030 1 1105 116 116 LYS CB C 36.57 0.030 1 1106 116 116 LYS N N 126.83 0.030 1 1107 117 117 GLY H H 7.489 0.030 1 1108 117 117 GLY HA2 H 3.477 0.030 2 1109 117 117 GLY HA3 H 4.322 0.030 2 1110 117 117 GLY C C 178.396 0.030 1 1111 117 117 GLY CA C 44.729 0.030 1 1112 117 117 GLY N N 111.33 0.030 1 1113 118 118 PHE H H 7.401 0.030 1 1114 118 118 PHE HA H 3.87 0.030 1 1115 118 118 PHE HB2 H 2.252 0.030 2 1116 118 118 PHE HB3 H 2.587 0.030 2 1117 118 118 PHE HD1 H 6.086 0.030 3 1118 118 118 PHE HE1 H 6.307 0.030 3 1119 118 118 PHE HZ H 6.486 0.030 1 1120 118 118 PHE C C 178.024 0.030 1 1121 118 118 PHE CA C 57.229 0.030 1 1122 118 118 PHE CB C 38.704 0.030 1 1123 118 118 PHE CD1 C 129.207 0.030 3 1124 118 118 PHE CE1 C 130.122 0.030 3 1125 118 118 PHE CZ C 127.988 0.030 1 1126 118 118 PHE N N 118.58 0.030 1 1127 119 119 PRO HB2 H 2.228 0.030 2 1128 119 119 PRO HB3 H 2.439 0.030 2 1129 119 119 PRO HG2 H 2.246 0.030 2 1130 119 119 PRO HG3 H 2.285 0.030 2 1131 119 119 PRO CA C 62.43 0.030 1 1132 119 119 PRO CB C 32.184 0.030 1 1133 119 119 PRO CG C 27.986 0.030 1 1134 120 120 THR H H 8.583 0.030 1 1135 120 120 THR HA H 3.74 0.030 1 1136 120 120 THR HB H 4.484 0.030 1 1137 120 120 THR HG2 H 1.079 0.030 1 1138 120 120 THR C C 174.491 0.030 1 1139 120 120 THR CA C 64.882 0.030 1 1140 120 120 THR CB C 68.236 0.030 1 1141 120 120 THR CG2 C 22.051 0.030 1 1142 120 120 THR N N 111.357 0.030 1 1143 121 121 ASP H H 8.233 0.030 1 1144 121 121 ASP HA H 4.686 0.030 1 1145 121 121 ASP HB2 H 2.581 0.030 2 1146 121 121 ASP HB3 H 2.905 0.030 2 1147 121 121 ASP C C 176.374 0.030 1 1148 121 121 ASP CA C 52.528 0.030 1 1149 121 121 ASP CB C 39.703 0.030 1 1150 121 121 ASP N N 117.327 0.030 1 1151 122 122 ALA H H 7.686 0.030 1 1152 122 122 ALA HA H 4.404 0.030 1 1153 122 122 ALA HB H 1.26 0.030 1 1154 122 122 ALA C C 176.351 0.030 1 1155 122 122 ALA CA C 52.69 0.030 1 1156 122 122 ALA CB C 18.619 0.030 1 1157 122 122 ALA N N 124.055 0.030 1 1158 123 123 THR H H 8.522 0.030 1 1159 123 123 THR HA H 4.268 0.030 1 1160 123 123 THR HB H 4.505 0.030 1 1161 123 123 THR HG2 H 1.222 0.030 1 1162 123 123 THR C C 177.094 0.030 1 1163 123 123 THR CA C 59.12 0.030 1 1164 123 123 THR CB C 72.261 0.030 1 1165 123 123 THR CG2 C 21.888 0.030 1 1166 123 123 THR N N 110.852 0.030 1 1167 124 124 LEU H H 8.711 0.030 1 1168 124 124 LEU HA H 3.727 0.030 1 1169 124 124 LEU HB2 H 1.242 0.030 2 1170 124 124 LEU HB3 H 1.425 0.030 2 1171 124 124 LEU HD1 H 0.484 0.030 2 1172 124 124 LEU HD2 H 0.4 0.030 2 1173 124 124 LEU HG H 1.133 0.030 1 1174 124 124 LEU C C 178.303 0.030 1 1175 124 124 LEU CA C 58.372 0.030 1 1176 124 124 LEU CB C 40.836 0.030 1 1177 124 124 LEU CD1 C 23.769 0.030 2 1178 124 124 LEU CD2 C 25.598 0.030 2 1179 124 124 LEU CG C 27.427 0.030 1 1180 124 124 LEU N N 121.08 0.030 1 1181 125 125 ASP H H 7.777 0.030 1 1182 125 125 ASP HA H 4.113 0.030 1 1183 125 125 ASP HB2 H 2.345 0.030 2 1184 125 125 ASP HB3 H 2.567 0.030 2 1185 125 125 ASP C C 177.884 0.030 1 1186 125 125 ASP CA C 58.056 0.030 1 1187 125 125 ASP CB C 41.142 0.030 1 1188 125 125 ASP N N 115.58 0.030 1 1189 126 126 ASP H H 7.689 0.030 1 1190 126 126 ASP HA H 4.27 0.030 1 1191 126 126 ASP HB2 H 2.887 0.030 2 1192 126 126 ASP HB3 H 3.078 0.030 2 1193 126 126 ASP C C 179.232 0.030 1 1194 126 126 ASP CA C 57.739 0.030 1 1195 126 126 ASP CB C 41.142 0.030 1 1196 126 126 ASP N N 121.112 0.030 1 1197 127 127 ILE H H 7.734 0.030 1 1198 127 127 ILE HA H 3.383 0.030 1 1199 127 127 ILE HB H 1.416 0.030 1 1200 127 127 ILE HD1 H -0.271 0.030 1 1201 127 127 ILE HG12 H -0.257 0.030 2 1202 127 127 ILE HG13 H 1.043 0.030 2 1203 127 127 ILE HG2 H 0.375 0.030 1 1204 127 127 ILE C C 177.396 0.030 1 1205 127 127 ILE CA C 65.396 0.030 1 1206 127 127 ILE CB C 38.068 0.030 1 1207 127 127 ILE CD1 C 12.571 0.030 1 1208 127 127 ILE CG1 C 28.618 0.030 1 1209 127 127 ILE CG2 C 17.638 0.030 1 1210 127 127 ILE N N 121.869 0.030 1 1211 128 128 LYS H H 9.007 0.030 1 1212 128 128 LYS HA H 3.632 0.030 1 1213 128 128 LYS HB2 H 1.586 0.030 2 1214 128 128 LYS HB3 H 1.777 0.030 2 1215 128 128 LYS HD2 H 1.344 0.030 2 1216 128 128 LYS HE2 H 2.724 0.030 2 1217 128 128 LYS HE3 H 2.823 0.030 2 1218 128 128 LYS HG2 H 1.227 0.030 2 1219 128 128 LYS HG3 H 1.327 0.030 2 1220 128 128 LYS C C 179.302 0.030 1 1221 128 128 LYS CA C 60.344 0.030 1 1222 128 128 LYS CB C 32.607 0.030 1 1223 128 128 LYS CD C 29.255 0.030 1 1224 128 128 LYS CE C 40.836 0.030 1 1225 128 128 LYS CG C 24.989 0.030 1 1226 128 128 LYS N N 120.33 0.030 1 1227 129 129 GLU H H 8.047 0.030 1 1228 129 129 GLU HA H 4.031 0.030 1 1229 129 129 GLU HB2 H 2.133 0.030 2 1230 129 129 GLU HG2 H 2.263 0.030 2 1231 129 129 GLU HG3 H 2.413 0.030 2 1232 129 129 GLU C C 178.791 0.030 1 1233 129 129 GLU CA C 59.31 0.030 1 1234 129 129 GLU CB C 29.56 0.030 1 1235 129 129 GLU CG C 36.569 0.030 1 1236 129 129 GLU N N 118.084 0.030 1 1237 130 130 TRP H H 7.856 0.030 1 1238 130 130 TRP HA H 4.302 0.030 1 1239 130 130 TRP HB2 H 3.631 0.030 2 1240 130 130 TRP HB3 H 3.754 0.030 2 1241 130 130 TRP HD1 H 7.676 0.030 1 1242 130 130 TRP HZ2 H 7.339 0.030 1 1243 130 130 TRP C C 179.511 0.030 1 1244 130 130 TRP CA C 61.956 0.030 1 1245 130 130 TRP CB C 28.951 0.030 1 1246 130 130 TRP CD1 C 127.379 0.030 1 1247 130 130 TRP CZ2 C 114.988 0.030 1 1248 130 130 TRP N N 121.365 0.030 1 1249 131 131 LEU H H 8.225 0.030 1 1250 131 131 LEU HA H 3.702 0.030 1 1251 131 131 LEU HB2 H 1.375 0.030 2 1252 131 131 LEU HB3 H 1.819 0.030 2 1253 131 131 LEU HD1 H 0.676 0.030 2 1254 131 131 LEU HD2 H 0.626 0.030 2 1255 131 131 LEU C C 178.28 0.030 1 1256 131 131 LEU CA C 56.356 0.030 1 1257 131 131 LEU CB C 43.462 0.030 1 1258 131 131 LEU CD1 C 23.359 0.030 2 1259 131 131 LEU CD2 C 27.731 0.030 2 1260 131 131 LEU N N 116.318 0.030 1 1261 132 132 GLU H H 7.462 0.030 1 1262 132 132 GLU HA H 3.995 0.030 1 1263 132 132 GLU HB2 H 1.969 0.030 2 1264 132 132 GLU HB3 H 2.125 0.030 2 1265 132 132 GLU HG2 H 2.215 0.030 2 1266 132 132 GLU HG3 H 2.322 0.030 2 1267 132 132 GLU C C 177.118 0.030 1 1268 132 132 GLU CA C 59.879 0.030 1 1269 132 132 GLU CB C 29.662 0.030 1 1270 132 132 GLU CG C 35.655 0.030 1 1271 132 132 GLU N N 119.346 0.030 1 1272 133 133 ASP H H 7.856 0.030 1 1273 133 133 ASP HA H 4.672 0.030 1 1274 133 133 ASP HB2 H 2.569 0.030 2 1275 133 133 ASP HB3 H 2.82 0.030 2 1276 133 133 ASP C C 176.676 0.030 1 1277 133 133 ASP CA C 53.745 0.030 1 1278 133 133 ASP CB C 40.226 0.030 1 1279 133 133 ASP N N 114.299 0.030 1 1280 134 134 LYS H H 7.986 0.030 1 1281 134 134 LYS HA H 4.728 0.030 1 1282 134 134 LYS C C 175.793 0.030 1 1283 134 134 LYS CA C 55.244 0.030 1 1284 134 134 LYS CB C 31.927 0.030 1 1285 134 134 LYS N N 118.337 0.030 1 1286 135 135 GLY H H 7.607 0.030 1 1287 135 135 GLY HA2 H 3.792 0.030 2 1288 135 135 GLY HA3 H 4.206 0.030 2 1289 135 135 GLY C C 171.331 0.030 1 1290 135 135 GLY CA C 44.098 0.030 1 1291 135 135 GLY N N 106.563 0.030 1 1292 136 136 GLN H H 8.663 0.030 1 1293 136 136 GLN HA H 4.272 0.030 1 1294 136 136 GLN HB2 H 1.991 0.030 2 1295 136 136 GLN HG2 H 2.237 0.030 2 1296 136 136 GLN C C 174.329 0.030 1 1297 136 136 GLN CA C 56.042 0.030 1 1298 136 136 GLN CB C 28.262 0.030 1 1299 136 136 GLN CG C 34.146 0.030 1 1300 136 136 GLN N N 119.58 0.030 1 1301 137 137 VAL H H 7.991 0.030 1 1302 137 137 VAL HA H 4.009 0.030 1 1303 137 137 VAL HB H 1.635 0.030 1 1304 137 137 VAL HG1 H 0.282 0.030 2 1305 137 137 VAL HG2 H 0.301 0.030 2 1306 137 137 VAL C C 176.281 0.030 1 1307 137 137 VAL CA C 61.204 0.030 1 1308 137 137 VAL CB C 33.522 0.030 1 1309 137 137 VAL CG1 C 21.07 0.030 2 1310 137 137 VAL CG2 C 22.378 0.030 2 1311 137 137 VAL N N 123.802 0.030 1 1312 138 138 LEU H H 8.906 0.030 1 1313 138 138 LEU HA H 4.378 0.030 1 1314 138 138 LEU HB2 H 0.988 0.030 2 1315 138 138 LEU HB3 H 1.423 0.030 2 1316 138 138 LEU HD1 H 0.931 0.030 2 1317 138 138 LEU HD2 H 0.843 0.030 2 1318 138 138 LEU HG H 1.336 0.030 1 1319 138 138 LEU C C 176.397 0.030 1 1320 138 138 LEU CA C 54.227 0.030 1 1321 138 138 LEU CB C 43.58 0.030 1 1322 138 138 LEU CD1 C 26.627 0.030 2 1323 138 138 LEU CD2 C 22.214 0.030 2 1324 138 138 LEU CG C 27.445 0.030 1 1325 138 138 LEU N N 124.055 0.030 1 1326 139 139 ASN H H 6.878 0.030 1 1327 139 139 ASN C C 172.028 0.030 1 1328 139 139 ASN CA C 54.471 0.030 1 1329 139 139 ASN CB C 42.504 0.030 1 1330 139 139 ASN N N 113.29 0.030 1 1331 140 140 ILE H H 8.336 0.030 1 1332 140 140 ILE HA H 4.223 0.030 1 1333 140 140 ILE HB H 1.234 0.030 1 1334 140 140 ILE HD1 H 0.615 0.030 1 1335 140 140 ILE HG12 H 0.414 0.030 2 1336 140 140 ILE HG13 H 1.273 0.030 2 1337 140 140 ILE HG2 H 0.393 0.030 1 1338 140 140 ILE C C 173.6 0.030 1 1339 140 140 ILE CA C 60.974 0.030 1 1340 140 140 ILE CB C 41.174 0.030 1 1341 140 140 ILE CD1 C 14.931 0.030 1 1342 140 140 ILE CG1 C 27.608 0.030 1 1343 140 140 ILE CG2 C 17.674 0.030 1 1344 140 140 ILE N N 125.064 0.030 1 1345 141 141 GLN H H 9.309 0.030 1 1346 141 141 GLN HA H 4.728 0.030 1 1347 141 141 GLN HB2 H 2.089 0.030 2 1348 141 141 GLN HB3 H 2.259 0.030 2 1349 141 141 GLN HG2 H 2.237 0.030 2 1350 141 141 GLN HG3 H 2.451 0.030 2 1351 141 141 GLN C C 175.444 0.030 1 1352 141 141 GLN CA C 53.651 0.030 1 1353 141 141 GLN CB C 30.713 0.030 1 1354 141 141 GLN CG C 33.492 0.030 1 1355 141 141 GLN N N 127.335 0.030 1 1356 142 142 MET H H 9.026 0.030 1 1357 142 142 MET C C 175.119 0.030 1 1358 142 142 MET CA C 56.351 0.030 1 1359 142 142 MET CB C 33.032 0.030 1 1360 142 142 MET N N 126.073 0.030 1 1361 143 143 ARG H H 8.345 0.030 1 1362 143 143 ARG C C 176.048 0.030 1 1363 143 143 ARG CA C 57.928 0.030 1 1364 143 143 ARG N N 126.326 0.030 1 1365 144 144 ARG H H 8.831 0.030 1 1366 144 144 ARG HA H 5.618 0.030 1 1367 144 144 ARG HG2 H 1.432 0.030 2 1368 144 144 ARG HG3 H 1.66 0.030 2 1369 144 144 ARG CA C 54.409 0.030 1 1370 144 144 ARG CB C 35.163 0.030 1 1371 144 144 ARG CG C 28.037 0.030 1 1372 144 144 ARG N N 122.33 0.030 1 1373 145 145 THR H H 8.958 0.030 1 1374 145 145 THR HG2 H 1.282 0.030 1 1375 145 145 THR CG2 C 22.214 0.030 1 1376 145 145 THR N N 111.502 0.030 1 1377 147 147 HIS HB2 H 2.961 0.030 2 1378 147 147 HIS HB3 H 3.477 0.030 2 1379 147 147 HIS C C 173.724 0.030 1 1380 147 147 HIS CA C 55.37 0.030 1 1381 147 147 HIS CB C 28.341 0.030 1 1382 148 148 LYS H H 8.064 0.030 1 1383 148 148 LYS HA H 3.717 0.030 1 1384 148 148 LYS HG2 H 1.314 0.030 2 1385 148 148 LYS C C 174.979 0.030 1 1386 148 148 LYS CA C 58.151 0.030 1 1387 148 148 LYS CB C 28.927 0.030 1 1388 148 148 LYS CG C 25.294 0.030 1 1389 148 148 LYS N N 112.33 0.030 1 1390 149 149 ALA H H 7.566 0.030 1 1391 149 149 ALA HA H 4.485 0.030 1 1392 149 149 ALA HB H 1.378 0.030 1 1393 149 149 ALA C C 177.536 0.030 1 1394 149 149 ALA CA C 51.824 0.030 1 1395 149 149 ALA CB C 19.272 0.030 1 1396 149 149 ALA N N 123.83 0.030 1 1397 150 150 PHE H H 9.215 0.030 1 1398 150 150 PHE HA H 4.967 0.030 1 1399 150 150 PHE HB2 H 3.206 0.030 2 1400 150 150 PHE HB3 H 3.455 0.030 2 1401 150 150 PHE CA C 56.051 0.030 1 1402 150 150 PHE CB C 38.399 0.030 1 1403 150 150 PHE N N 123.08 0.030 1 1404 152 152 GLY C C 171.354 0.030 1 1405 152 152 GLY CA C 46.214 0.030 1 1406 153 153 SER H H 6.791 0.030 1 1407 153 153 SER C C 172.586 0.030 1 1408 153 153 SER CA C 54.148 0.030 1 1409 153 153 SER CB C 65.940 0.030 1 1410 153 153 SER N N 111.58 0.030 1 1411 154 154 ILE H H 8.705 0.030 1 1412 154 154 ILE HA H 5.326 0.030 1 1413 154 154 ILE HB H 1.684 0.030 1 1414 154 154 ILE HD1 H 0.47 0.030 1 1415 154 154 ILE HG12 H 1.425 0.030 2 1416 154 154 ILE HG2 H 0.72 0.030 1 1417 154 154 ILE C C 173.957 0.030 1 1418 154 154 ILE CA C 58.285 0.030 1 1419 154 154 ILE CB C 41.752 0.030 1 1420 154 154 ILE CD1 C 15.513 0.030 1 1421 154 154 ILE CG1 C 28.341 0.030 1 1422 154 154 ILE CG2 C 18.782 0.030 1 1423 154 154 ILE N N 111.357 0.030 1 1424 155 155 PHE H H 8.308 0.030 1 1425 155 155 PHE HA H 6.084 0.030 1 1426 155 155 PHE HB2 H 2.846 0.030 2 1427 155 155 PHE HB3 H 3.106 0.030 2 1428 155 155 PHE C C 175.932 0.030 1 1429 155 155 PHE CA C 55.676 0.030 1 1430 155 155 PHE CB C 42.666 0.030 1 1431 155 155 PHE N N 114.58 0.030 1 1432 156 156 VAL H H 9.655 0.030 1 1433 156 156 VAL HA H 4.934 0.030 1 1434 156 156 VAL HB H 1.657 0.030 1 1435 156 156 VAL HG1 H 0.421 0.030 2 1436 156 156 VAL HG2 H 0.59 0.030 2 1437 156 156 VAL C C 173.887 0.030 1 1438 156 156 VAL CA C 59.318 0.030 1 1439 156 156 VAL CB C 35.29 0.030 1 1440 156 156 VAL CG1 C 22.705 0.030 2 1441 156 156 VAL CG2 C 22.378 0.030 2 1442 156 156 VAL N N 120.103 0.030 1 1443 157 157 VAL H H 7.93 0.030 1 1444 157 157 VAL HA H 4.618 0.030 1 1445 157 157 VAL HB H 1.325 0.030 1 1446 157 157 VAL HG1 H 0.832 0.030 2 1447 157 157 VAL HG2 H 0.863 0.030 2 1448 157 157 VAL C C 176.281 0.030 1 1449 157 157 VAL CA C 61.264 0.030 1 1450 157 157 VAL CB C 33.826 0.030 1 1451 157 157 VAL CG1 C 20.112 0.030 2 1452 157 157 VAL CG2 C 21.636 0.030 2 1453 157 157 VAL N N 123.802 0.030 1 1454 158 158 PHE H H 8.839 0.030 1 1455 158 158 PHE HA H 4.937 0.030 1 1456 158 158 PHE HB2 H 3.057 0.030 2 1457 158 158 PHE HB3 H 3.436 0.030 2 1458 158 158 PHE HD1 H 7.113 0.030 3 1459 158 158 PHE HE1 H 6.629 0.030 3 1460 158 158 PHE HZ H 5.536 0.030 1 1461 158 158 PHE C C 175.584 0.030 1 1462 158 158 PHE CA C 58.773 0.030 1 1463 158 158 PHE CB C 42.666 0.030 1 1464 158 158 PHE CD1 C 129.017 0.030 3 1465 158 158 PHE CE1 C 129.017 0.030 3 1466 158 158 PHE CZ C 127.684 0.030 1 1467 158 158 PHE N N 126.073 0.030 1 1468 159 159 ASP H H 8.717 0.030 1 1469 159 159 ASP HA H 4.186 0.030 1 1470 159 159 ASP HB2 H 2.55 0.030 2 1471 159 159 ASP HB3 H 2.841 0.030 2 1472 159 159 ASP C C 175.398 0.030 1 1473 159 159 ASP CA C 56.191 0.030 1 1474 159 159 ASP CB C 40.531 0.030 1 1475 159 159 ASP N N 118.589 0.030 1 1476 160 160 SER H H 7.869 0.030 1 1477 160 160 SER HA H 4.835 0.030 1 1478 160 160 SER HB2 H 3.927 0.030 2 1479 160 160 SER HB3 H 4.27 0.030 2 1480 160 160 SER C C 174.063 0.030 1 1481 160 160 SER CA C 56.294 0.030 1 1482 160 160 SER CB C 66.499 0.030 1 1483 160 160 SER N N 111.609 0.030 1 1484 161 161 ILE H H 9.218 0.030 1 1485 161 161 ILE HA H 3.845 0.030 1 1486 161 161 ILE HB H 1.852 0.030 1 1487 161 161 ILE HD1 H 0.941 0.030 1 1488 161 161 ILE HG12 H 1.105 0.030 2 1489 161 161 ILE HG13 H 1.648 0.030 2 1490 161 161 ILE HG2 H 0.955 0.030 1 1491 161 161 ILE C C 177.536 0.030 1 1492 161 161 ILE CA C 64.686 0.030 1 1493 161 161 ILE CB C 38.068 0.030 1 1494 161 161 ILE CD1 C 14.206 0.030 1 1495 161 161 ILE CG1 C 29.255 0.030 1 1496 161 161 ILE CG2 C 17.311 0.030 1 1497 161 161 ILE N N 124.055 0.030 1 1498 162 162 GLU H H 8.734 0.030 1 1499 162 162 GLU HA H 3.975 0.030 1 1500 162 162 GLU HB2 H 1.928 0.030 2 1501 162 162 GLU HB3 H 2.082 0.030 2 1502 162 162 GLU HG2 H 2.276 0.030 2 1503 162 162 GLU HG3 H 2.382 0.030 2 1504 162 162 GLU C C 177.559 0.030 1 1505 162 162 GLU CA C 60.598 0.030 1 1506 162 162 GLU CB C 28.752 0.030 1 1507 162 162 GLU CG C 36.924 0.030 1 1508 162 162 GLU N N 120.608 0.030 1 1509 163 163 SER H H 8.214 0.030 1 1510 163 163 SER HA H 4.122 0.030 1 1511 163 163 SER HB2 H 3.883 0.030 2 1512 163 163 SER HB3 H 4.062 0.030 2 1513 163 163 SER C C 176.537 0.030 1 1514 163 163 SER CA C 61.123 0.030 1 1515 163 163 SER CB C 62.789 0.030 1 1516 163 163 SER N N 116.318 0.030 1 1517 164 164 ALA H H 7.688 0.030 1 1518 164 164 ALA HA H 2.992 0.030 1 1519 164 164 ALA HB H 1.531 0.030 1 1520 164 164 ALA C C 177.722 0.030 1 1521 164 164 ALA CA C 55.174 0.030 1 1522 164 164 ALA CB C 18.619 0.030 1 1523 164 164 ALA N N 125.316 0.030 1 1524 165 165 LYS H H 8.923 0.030 1 1525 165 165 LYS HA H 3.984 0.030 1 1526 165 165 LYS HB2 H 1.912 0.030 2 1527 165 165 LYS HB3 H 1.968 0.030 2 1528 165 165 LYS HD2 H 1.665 0.030 2 1529 165 165 LYS HG2 H 1.454 0.030 2 1530 165 165 LYS HG3 H 1.646 0.030 2 1531 165 165 LYS C C 177.745 0.030 1 1532 165 165 LYS CA C 60.344 0.030 1 1533 165 165 LYS CB C 33.217 0.030 1 1534 165 165 LYS CD C 30.169 0.030 1 1535 165 165 LYS CG C 25.598 0.030 1 1536 165 165 LYS N N 117.327 0.030 1 1537 166 166 LYS H H 7.816 0.030 1 1538 166 166 LYS HA H 3.924 0.030 1 1539 166 166 LYS HB2 H 1.785 0.030 2 1540 166 166 LYS HB3 H 1.814 0.030 2 1541 166 166 LYS HD2 H 1.653 0.030 2 1542 166 166 LYS HE2 H 2.943 0.030 2 1543 166 166 LYS HG2 H 1.359 0.030 2 1544 166 166 LYS HG3 H 1.464 0.030 2 1545 166 166 LYS C C 178.582 0.030 1 1546 166 166 LYS CA C 58.965 0.030 1 1547 166 166 LYS CB C 32.303 0.030 1 1548 166 166 LYS CD C 29.255 0.030 1 1549 166 166 LYS CE C 42.055 0.030 1 1550 166 166 LYS CG C 24.988 0.030 1 1551 166 166 LYS N N 117.327 0.030 1 1552 167 167 PHE H H 7.444 0.030 1 1553 167 167 PHE HA H 4.127 0.030 1 1554 167 167 PHE HB2 H 2.734 0.030 2 1555 167 167 PHE HB3 H 2.842 0.030 2 1556 167 167 PHE C C 176.978 0.030 1 1557 167 167 PHE CA C 61.445 0.030 1 1558 167 167 PHE CB C 39.618 0.030 1 1559 167 167 PHE N N 119.346 0.030 1 1560 168 168 VAL H H 8.358 0.030 1 1561 168 168 VAL HA H 3.167 0.030 1 1562 168 168 VAL HB H 1.727 0.030 1 1563 168 168 VAL HG1 H 0.285 0.030 2 1564 168 168 VAL HG2 H 0.748 0.030 2 1565 168 168 VAL C C 177.791 0.030 1 1566 168 168 VAL CA C 65.977 0.030 1 1567 168 168 VAL CB C 31.858 0.030 1 1568 168 168 VAL CG1 C 24.012 0.030 2 1569 168 168 VAL CG2 C 21.397 0.030 2 1570 168 168 VAL N N 118.841 0.030 1 1571 169 169 GLU H H 8.086 0.030 1 1572 169 169 GLU HA H 4.099 0.030 1 1573 169 169 GLU HB2 H 1.972 0.030 2 1574 169 169 GLU HB3 H 2.147 0.030 2 1575 169 169 GLU HG2 H 2.312 0.030 2 1576 169 169 GLU HG3 H 2.52 0.030 2 1577 169 169 GLU C C 176.629 0.030 1 1578 169 169 GLU CA C 56.643 0.030 1 1579 169 169 GLU CB C 29.255 0.030 1 1580 169 169 GLU CG C 36.924 0.030 1 1581 169 169 GLU N N 115.309 0.030 1 1582 170 170 THR H H 7.246 0.030 1 1583 170 170 THR HA H 4.415 0.030 1 1584 170 170 THR HB H 4.163 0.030 1 1585 170 170 THR HG2 H 1.096 0.030 1 1586 170 170 THR CA C 61.489 0.030 1 1587 170 170 THR CB C 69.578 0.030 1 1588 170 170 THR CG2 C 19.763 0.030 1 1589 170 170 THR N N 120.355 0.030 1 1590 171 171 PRO HA H 4.594 0.030 1 1591 171 171 PRO HB2 H 1.935 0.030 2 1592 171 171 PRO HB3 H 2.224 0.030 2 1593 171 171 PRO HD2 H 3.737 0.030 2 1594 171 171 PRO HD3 H 4.113 0.030 2 1595 171 171 PRO HG2 H 1.955 0.030 2 1596 171 171 PRO HG3 H 1.991 0.030 2 1597 171 171 PRO C C 177.606 0.030 1 1598 171 171 PRO CA C 62.465 0.030 1 1599 171 171 PRO CB C 32.675 0.030 1 1600 171 171 PRO CD C 50.788 0.030 1 1601 171 171 PRO CG C 26.817 0.030 1 1602 172 172 GLY H H 8.679 0.030 1 1603 172 172 GLY HA2 H 3.749 0.030 2 1604 172 172 GLY HA3 H 3.842 0.030 2 1605 172 172 GLY C C 175.537 0.030 1 1606 172 172 GLY CA C 47.161 0.030 1 1607 172 172 GLY N N 107.572 0.030 1 1608 173 173 GLN H H 8.566 0.030 1 1609 173 173 GLN HA H 4.354 0.030 1 1610 173 173 GLN HG2 H 1.908 0.030 2 1611 173 173 GLN HG3 H 2.172 0.030 2 1612 173 173 GLN C C 175.886 0.030 1 1613 173 173 GLN CA C 57.58 0.030 1 1614 173 173 GLN CG C 34.963 0.030 1 1615 173 173 GLN N N 119.08 0.030 1 1616 174 174 LYS H H 8.693 0.030 1 1617 174 174 LYS HA H 4.931 0.030 1 1618 174 174 LYS HB2 H 1.382 0.030 2 1619 174 174 LYS HB3 H 1.466 0.030 2 1620 174 174 LYS HD2 H 1.375 0.030 2 1621 174 174 LYS HD3 H 1.466 0.030 2 1622 174 174 LYS HG2 H 1.163 0.030 2 1623 174 174 LYS HG3 H 1.289 0.030 2 1624 174 174 LYS C C 178.442 0.030 1 1625 174 174 LYS CA C 55.133 0.030 1 1626 174 174 LYS CB C 32.4 0.030 1 1627 174 174 LYS CD C 29.865 0.030 1 1628 174 174 LYS CG C 24.989 0.030 1 1629 174 174 LYS N N 122.08 0.030 1 1630 175 175 TYR H H 8.206 0.030 1 1631 175 175 TYR HA H 4.363 0.030 1 1632 175 175 TYR HB2 H 1.593 0.030 2 1633 175 175 TYR HB3 H 2.273 0.030 2 1634 175 175 TYR HD1 H 6.441 0.030 3 1635 175 175 TYR HE1 H 6.644 0.030 3 1636 175 175 TYR CA C 57.118 0.030 1 1637 175 175 TYR CB C 40.228 0.030 1 1638 175 175 TYR CD1 C 132.56 0.030 3 1639 175 175 TYR CE1 C 116.512 0.030 3 1640 175 175 TYR N N 121.112 0.030 1 1641 176 176 LYS H H 9.237 0.030 1 1642 176 176 LYS HA H 3.528 0.030 1 1643 176 176 LYS HD2 H 1.417 0.030 2 1644 176 176 LYS HD3 H 1.498 0.030 2 1645 176 176 LYS HE2 H 2.786 0.030 2 1646 176 176 LYS HE3 H 2.832 0.030 2 1647 176 176 LYS HG2 H 0.521 0.030 2 1648 176 176 LYS HG3 H 0.885 0.030 2 1649 176 176 LYS C C 175.979 0.030 1 1650 176 176 LYS CA C 58.448 0.030 1 1651 176 176 LYS CB C 32.085 0.030 1 1652 176 176 LYS CD C 29.56 0.030 1 1653 176 176 LYS CE C 42.318 0.030 1 1654 176 176 LYS CG C 25.32 0.030 1 1655 176 176 LYS N N 127.083 0.030 1 1656 177 177 GLU H H 8.396 0.030 1 1657 177 177 GLU HA H 4.068 0.030 1 1658 177 177 GLU HB2 H 2.069 0.030 2 1659 177 177 GLU HB3 H 2.236 0.030 2 1660 177 177 GLU HG2 H 2.125 0.030 2 1661 177 177 GLU HG3 H 2.216 0.030 2 1662 177 177 GLU C C 176.048 0.030 1 1663 177 177 GLU CA C 57.106 0.030 1 1664 177 177 GLU CB C 28.95 0.030 1 1665 177 177 GLU CG C 36.265 0.030 1 1666 177 177 GLU N N 115.296 0.030 1 1667 178 178 THR H H 8.351 0.030 1 1668 178 178 THR HA H 4.302 0.030 1 1669 178 178 THR HB H 4.142 0.030 1 1670 178 178 THR HG2 H 1.215 0.030 1 1671 178 178 THR C C 173.283 0.030 1 1672 178 178 THR CA C 62.474 0.030 1 1673 178 178 THR CB C 70.13 0.030 1 1674 178 178 THR CG2 C 21.724 0.030 1 1675 178 178 THR N N 119.598 0.030 1 1676 179 179 ASP H H 8.523 0.030 1 1677 179 179 ASP HA H 4.396 0.030 1 1678 179 179 ASP HB2 H 2.427 0.030 2 1679 179 179 ASP HB3 H 2.549 0.030 2 1680 179 179 ASP C C 174.979 0.030 1 1681 179 179 ASP CA C 55.764 0.030 1 1682 179 179 ASP CB C 41.446 0.030 1 1683 179 179 ASP N N 126.326 0.030 1 1684 180 180 LEU H H 7.618 0.030 1 1685 180 180 LEU HA H 4.562 0.030 1 1686 180 180 LEU HB2 H 0.765 0.030 2 1687 180 180 LEU HB3 H 1.236 0.030 2 1688 180 180 LEU HD1 H -0.396 0.030 2 1689 180 180 LEU HD2 H 0.023 0.030 2 1690 180 180 LEU HG H 1.227 0.030 1 1691 180 180 LEU C C 176.095 0.030 1 1692 180 180 LEU CA C 53.081 0.030 1 1693 180 180 LEU CB C 44.116 0.030 1 1694 180 180 LEU CD1 C 20.417 0.030 2 1695 180 180 LEU CD2 C 27.608 0.030 2 1696 180 180 LEU CG C 25.81 0.030 1 1697 180 180 LEU N N 121.112 0.030 1 1698 181 181 LEU H H 8.386 0.030 1 1699 181 181 LEU HA H 5.045 0.030 1 1700 181 181 LEU HB2 H 1.458 0.030 2 1701 181 181 LEU HB3 H 1.698 0.030 2 1702 181 181 LEU HD1 H 0.976 0.030 2 1703 181 181 LEU HD2 H 1.007 0.030 2 1704 181 181 LEU HG H 1.507 0.030 1 1705 181 181 LEU C C 174.445 0.030 1 1706 181 181 LEU CA C 54.48 0.030 1 1707 181 181 LEU CB C 43.625 0.030 1 1708 181 181 LEU CD1 C 23.685 0.030 2 1709 181 181 LEU CD2 C 26.137 0.030 2 1710 181 181 LEU CG C 27.935 0.030 1 1711 181 181 LEU N N 125.569 0.030 1 1712 182 182 ILE H H 8.439 0.030 1 1713 182 182 ILE HA H 5.029 0.030 1 1714 182 182 ILE HB H 1.662 0.030 1 1715 182 182 ILE HD1 H 0.634 0.030 1 1716 182 182 ILE HG12 H 0.917 0.030 2 1717 182 182 ILE HG13 H 1.342 0.030 2 1718 182 182 ILE HG2 H 0.732 0.030 1 1719 182 182 ILE C C 174.84 0.030 1 1720 182 182 ILE CA C 60.644 0.030 1 1721 182 182 ILE CB C 40.683 0.030 1 1722 182 182 ILE CD1 C 14.86 0.030 1 1723 182 182 ILE CG1 C 28.646 0.030 1 1724 182 182 ILE CG2 C 20.253 0.030 1 1725 182 182 ILE N N 127.587 0.030 1 1726 183 183 LEU H H 9.236 0.030 1 1727 183 183 LEU HA H 5.036 0.030 1 1728 183 183 LEU HB2 H 1.66 0.030 2 1729 183 183 LEU HB3 H 1.945 0.030 2 1730 183 183 LEU HD1 H 0.894 0.030 2 1731 183 183 LEU HD2 H 1.081 0.030 2 1732 183 183 LEU HG H 1.676 0.030 1 1733 183 183 LEU C C 177.21 0.030 1 1734 183 183 LEU CA C 53.157 0.030 1 1735 183 183 LEU CB C 48.856 0.030 1 1736 183 183 LEU CD1 C 26.464 0.030 2 1737 183 183 LEU CD2 C 24.012 0.030 2 1738 183 183 LEU CG C 27.118 0.030 1 1739 183 183 LEU N N 126.073 0.030 1 1740 184 184 PHE H H 9.816 0.030 1 1741 184 184 PHE HA H 4.686 0.030 1 1742 184 184 PHE HB2 H 3.043 0.030 2 1743 184 184 PHE HB3 H 3.789 0.030 2 1744 184 184 PHE HD1 H 7.664 0.030 3 1745 184 184 PHE HZ H 6.979 0.030 1 1746 184 184 PHE C C 177.884 0.030 1 1747 184 184 PHE CA C 62.632 0.030 1 1748 184 184 PHE CB C 38.398 0.030 1 1749 184 184 PHE CD1 C 131.036 0.030 3 1750 184 184 PHE CZ C 127.684 0.030 1 1751 184 184 PHE N N 121.365 0.030 1 1752 185 185 LYS H H 9.165 0.030 1 1753 185 185 LYS HA H 3.912 0.030 1 1754 185 185 LYS HB2 H 1.495 0.030 2 1755 185 185 LYS HB3 H 1.944 0.030 2 1756 185 185 LYS HD2 H 1.121 0.030 2 1757 185 185 LYS HD3 H 1.487 0.030 2 1758 185 185 LYS C C 177.35 0.030 1 1759 185 185 LYS CA C 61.527 0.030 1 1760 185 185 LYS CB C 33.523 0.030 1 1761 185 185 LYS CD C 30.78 0.030 1 1762 185 185 LYS N N 125.064 0.030 1 1763 186 186 ASP H H 9.686 0.030 1 1764 186 186 ASP HA H 4.617 0.030 1 1765 186 186 ASP HB2 H 2.599 0.030 2 1766 186 186 ASP C C 178.582 0.030 1 1767 186 186 ASP CA C 57.343 0.030 1 1768 186 186 ASP CB C 41.141 0.030 1 1769 186 186 ASP N N 116.57 0.030 1 1770 187 187 ASP H H 7.209 0.030 1 1771 187 187 ASP HA H 4.631 0.030 1 1772 187 187 ASP HB2 H 2.849 0.030 2 1773 187 187 ASP HB3 H 2.991 0.030 2 1774 187 187 ASP C C 177.908 0.030 1 1775 187 187 ASP CA C 56.712 0.030 1 1776 187 187 ASP CB C 41.446 0.030 1 1777 187 187 ASP N N 119.346 0.030 1 1778 188 188 TYR H H 8.122 0.030 1 1779 188 188 TYR HA H 3.796 0.030 1 1780 188 188 TYR HB2 H 2.503 0.030 2 1781 188 188 TYR HB3 H 3.041 0.030 2 1782 188 188 TYR HD1 H 5.983 0.030 3 1783 188 188 TYR HE1 H 6.29 0.030 3 1784 188 188 TYR C C 176.583 0.030 1 1785 188 188 TYR CA C 61.031 0.030 1 1786 188 188 TYR CB C 36.875 0.030 1 1787 188 188 TYR CD1 C 131.341 0.030 3 1788 188 188 TYR CE1 C 116.512 0.030 3 1789 188 188 TYR N N 120.86 0.030 1 1790 189 189 PHE H H 7.911 0.030 1 1791 189 189 PHE HA H 3.791 0.030 1 1792 189 189 PHE HB2 H 3.022 0.030 2 1793 189 189 PHE HB3 H 3.156 0.030 2 1794 189 189 PHE C C 177.838 0.030 1 1795 189 189 PHE CA C 60.652 0.030 1 1796 189 189 PHE CB C 38.395 0.030 1 1797 189 189 PHE N N 116.57 0.030 1 1798 190 190 ALA H H 7.613 0.030 1 1799 190 190 ALA HA H 4.186 0.030 1 1800 190 190 ALA HB H 1.539 0.030 1 1801 190 190 ALA C C 178.837 0.030 1 1802 190 190 ALA CA C 54.107 0.030 1 1803 190 190 ALA CB C 18.782 0.030 1 1804 190 190 ALA N N 120.608 0.030 1 1805 191 191 LYS H H 7.549 0.030 1 1806 191 191 LYS HA H 4.394 0.030 1 1807 191 191 LYS HB2 H 1.561 0.030 2 1808 191 191 LYS HB3 H 1.917 0.030 2 1809 191 191 LYS HD2 H 1.574 0.030 2 1810 191 191 LYS HD3 H 1.587 0.030 2 1811 191 191 LYS HG2 H 1.386 0.030 2 1812 191 191 LYS HG3 H 1.437 0.030 2 1813 191 191 LYS C C 177.118 0.030 1 1814 191 191 LYS CA C 55.686 0.030 1 1815 191 191 LYS CB C 33.217 0.030 1 1816 191 191 LYS CD C 29.255 0.030 1 1817 191 191 LYS CG C 24.988 0.030 1 1818 191 191 LYS N N 117.327 0.030 1 1819 192 192 LYS H H 7.414 0.030 1 1820 192 192 LYS HA H 3.635 0.030 1 1821 192 192 LYS HB2 H 1.456 0.030 2 1822 192 192 LYS HB3 H 1.536 0.030 2 1823 192 192 LYS HG2 H 1.147 0.030 2 1824 192 192 LYS HG3 H 1.207 0.030 2 1825 192 192 LYS C C 176.699 0.030 1 1826 192 192 LYS CA C 58.803 0.030 1 1827 192 192 LYS CB C 32.607 0.030 1 1828 192 192 LYS CG C 24.012 0.030 1 1829 192 192 LYS N N 122.122 0.030 1 1830 193 193 ASN H H 8.375 0.030 1 1831 193 193 ASN HA H 4.474 0.030 1 1832 193 193 ASN HB2 H 2.674 0.030 2 1833 193 193 ASN HB3 H 2.753 0.030 2 1834 193 193 ASN C C 175.723 0.030 1 1835 193 193 ASN CA C 54.439 0.030 1 1836 193 193 ASN CB C 38.398 0.030 1 1837 193 193 ASN N N 116.57 0.030 1 1838 194 194 GLU H H 7.875 0.030 1 1839 194 194 GLU HA H 4.284 0.030 1 1840 194 194 GLU HB2 H 1.974 0.030 2 1841 194 194 GLU HB3 H 2.055 0.030 2 1842 194 194 GLU HG2 H 2.215 0.030 2 1843 194 194 GLU C C 177.21 0.030 1 1844 194 194 GLU CA C 57.185 0.030 1 1845 194 194 GLU CB C 30.779 0.030 1 1846 194 194 GLU CG C 36.265 0.030 1 1847 194 194 GLU N N 117.327 0.030 1 1848 195 195 VAL H H 7.875 0.030 1 1849 195 195 VAL HA H 4.149 0.030 1 1850 195 195 VAL HB H 2.115 0.030 1 1851 195 195 VAL C C 177.559 0.030 1 1852 195 195 VAL CA C 62.789 0.030 1 1853 195 195 VAL CB C 33.217 0.030 1 1854 195 195 VAL N N 117.327 0.030 1 1855 196 196 ASP H H 8.262 0.030 1 1856 196 196 ASP HA H 4.806 0.030 1 1857 196 196 ASP HB2 H 2.605 0.030 2 1858 196 196 ASP HB3 H 2.783 0.030 2 1859 196 196 ASP C C 173.887 0.030 1 1860 196 196 ASP CA C 54.186 0.030 1 1861 196 196 ASP CB C 41.75 0.030 1 1862 196 196 ASP N N 122.288 0.030 1 1863 197 197 SER H H 7.762 0.030 1 1864 197 197 SER HA H 4.194 0.030 1 1865 197 197 SER HB2 H 3.838 0.030 2 1866 197 197 SER CA C 60.093 0.030 1 1867 197 197 SER CB C 64.842 0.030 1 1868 197 197 SER N N 121.112 0.030 1 stop_ save_