data_17283 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C and 15N assignments of the phosphoesterase (PE) domain of Pseudomonas aeruginosa DNA ligase D (LigD) ; _BMRB_accession_number 17283 _BMRB_flat_file_name bmr17283.str _Entry_type original _Submission_date 2010-11-03 _Accession_date 2010-11-03 _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 Dutta Kaushik . . 2 Natarajan Aswin . . 3 Ghose Ranajeet . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 704 "13C chemical shifts" 580 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 update BMRB 'update entry citation' 2011-01-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific 1H, 13C and 15N assignments of the phosphoesterase (PE) domain of Pseudomonas aeruginosa DNA ligase D (LigD).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21213076 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutta Kaushik . . 2 Natarajan Aswin . . 3 Nair Pravin A. . 4 Shuman Stewart . . 5 Ghose Ranajeet . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 151 _Page_last 155 _Year 2011 _Details . loop_ _Keyword 'DNA ligase' 'DNA repair' NMR 'non-homologous end-joining' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Pae177 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Pae177 $Pae177 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_Pae177 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pae177 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Ribonuclease and Phosphatase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; MPSSKPLAEYARKRDFRQTP EPSGRKPRKDSTGLLRYCVQ KHDASRLHYDFRLELDGTLK SWAVPKGPCLDPAVKRLAVQ VEDHPLDYADFEGSIPQGHY GAGDVIVWDRGAWTPLDDPR EGLEKGHLSFALDGEKLSGR WHLIRTNLRGKQSQWFLVKA KDGEARSLDRFDVLKER ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 SER 4 SER 5 LYS 6 PRO 7 LEU 8 ALA 9 GLU 10 TYR 11 ALA 12 ARG 13 LYS 14 ARG 15 ASP 16 PHE 17 ARG 18 GLN 19 THR 20 PRO 21 GLU 22 PRO 23 SER 24 GLY 25 ARG 26 LYS 27 PRO 28 ARG 29 LYS 30 ASP 31 SER 32 THR 33 GLY 34 LEU 35 LEU 36 ARG 37 TYR 38 CYS 39 VAL 40 GLN 41 LYS 42 HIS 43 ASP 44 ALA 45 SER 46 ARG 47 LEU 48 HIS 49 TYR 50 ASP 51 PHE 52 ARG 53 LEU 54 GLU 55 LEU 56 ASP 57 GLY 58 THR 59 LEU 60 LYS 61 SER 62 TRP 63 ALA 64 VAL 65 PRO 66 LYS 67 GLY 68 PRO 69 CYS 70 LEU 71 ASP 72 PRO 73 ALA 74 VAL 75 LYS 76 ARG 77 LEU 78 ALA 79 VAL 80 GLN 81 VAL 82 GLU 83 ASP 84 HIS 85 PRO 86 LEU 87 ASP 88 TYR 89 ALA 90 ASP 91 PHE 92 GLU 93 GLY 94 SER 95 ILE 96 PRO 97 GLN 98 GLY 99 HIS 100 TYR 101 GLY 102 ALA 103 GLY 104 ASP 105 VAL 106 ILE 107 VAL 108 TRP 109 ASP 110 ARG 111 GLY 112 ALA 113 TRP 114 THR 115 PRO 116 LEU 117 ASP 118 ASP 119 PRO 120 ARG 121 GLU 122 GLY 123 LEU 124 GLU 125 LYS 126 GLY 127 HIS 128 LEU 129 SER 130 PHE 131 ALA 132 LEU 133 ASP 134 GLY 135 GLU 136 LYS 137 LEU 138 SER 139 GLY 140 ARG 141 TRP 142 HIS 143 LEU 144 ILE 145 ARG 146 THR 147 ASN 148 LEU 149 ARG 150 GLY 151 LYS 152 GLN 153 SER 154 GLN 155 TRP 156 PHE 157 LEU 158 VAL 159 LYS 160 ALA 161 LYS 162 ASP 163 GLY 164 GLU 165 ALA 166 ARG 167 SER 168 LEU 169 ASP 170 ARG 171 PHE 172 ASP 173 VAL 174 LEU 175 LYS 176 GLU 177 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2LJ6 "Solution Structure And Dna-Binding Properties Of The Phosphoesterase Domain Of Dna Ligase D" 100.00 177 100.00 100.00 2.53e-124 PDB 3N9B "Crystal Structure Of The P. Aeruginosa Ligd Phosphoesterase Domain" 90.96 171 100.00 100.00 3.67e-112 PDB 3N9D "Monoclinic Structure Of P. Aeruginosa Ligd Phosphoesterase Domain" 90.96 171 100.00 100.00 3.67e-112 DBJ BAK89966 "ATP-dependent DNA ligase [Pseudomonas aeruginosa NCGM2.S1]" 99.44 840 98.30 98.30 6.23e-115 DBJ BAP23425 "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" 99.44 840 98.30 98.30 6.23e-115 DBJ BAP51031 "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" 99.44 840 98.30 98.30 6.23e-115 DBJ BAQ40184 "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" 100.00 840 99.44 99.44 4.62e-117 DBJ BAR68071 "multifunctional non-homologous end joining protein LigD [Pseudomonas aeruginosa]" 100.00 840 99.44 99.44 4.92e-117 EMBL CAW27916 "probable ATP-dependent DNA ligase [Pseudomonas aeruginosa LESB58]" 100.00 840 98.87 99.44 3.52e-116 EMBL CDH77490 "ATP-dependent DNA ligase [Pseudomonas aeruginosa MH27]" 99.44 840 98.30 98.30 7.31e-115 EMBL CDM46092 "ATP-dependent DNA ligase [Pseudomonas aeruginosa WS136]" 100.00 243 99.44 99.44 9.37e-123 EMBL CDO81319 "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" 100.00 554 99.44 99.44 1.88e-119 EMBL CEI20600 "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" 100.00 840 98.87 99.44 1.30e-116 GB AAG05526 "probable ATP-dependent DNA ligase [Pseudomonas aeruginosa PAO1]" 100.00 840 100.00 100.00 7.80e-118 GB ABJ11315 "putative ATP-dependent DNA ligase [Pseudomonas aeruginosa UCBPP-PA14]" 100.00 840 98.87 98.87 8.43e-116 GB AEO75385 "ATP-dependent DNA ligase [Pseudomonas aeruginosa M18]" 100.00 840 99.44 99.44 5.03e-117 GB AFM65275 "ATP-dependent DNA ligase [Pseudomonas aeruginosa DK2]" 100.00 840 99.44 99.44 4.28e-117 GB AGI81805 "ATP-dependent DNA ligase [Pseudomonas aeruginosa B136-33]" 100.00 840 99.44 99.44 4.92e-117 REF NP_250828 "multifunctional non-homologous end joining protein LigD [Pseudomonas aeruginosa PAO1]" 100.00 840 100.00 100.00 7.80e-118 REF WP_003109866 "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" 100.00 827 98.87 98.87 7.91e-116 REF WP_003113639 "multifunctional non-homologous end joining protein LigD [Pseudomonas aeruginosa]" 100.00 840 100.00 100.00 7.80e-118 REF WP_003124692 "ATP-dependent DNA ligase [Pseudomonas aeruginosa]" 100.00 840 99.44 99.44 4.67e-117 REF WP_003158695 "MULTISPECIES: ATP-dependent DNA ligase [Pseudomonas]" 100.00 840 99.44 99.44 5.77e-117 SP Q9I1X7 "RecName: Full=Multifunctional non-homologous end joining protein LigD; AltName: Full=NHEJ DNA polymerase; Includes: RecName: Fu" 100.00 840 100.00 100.00 7.80e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pae177 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa 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 $Pae177 'recombinant technology' . Escherichia coli . pET28b+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NMR_Sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pae177 300 uM '[U-100% 15N]' D20 10 % 'natural abundance' H20 90 % 'natural abundance' Bis-Tris 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_NMR_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pae177 300 uM '[U-100% 13C; U-100% 15N]' D20 10 % 'natural abundance' H20 90 % 'natural abundance' Bis-Tris 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_NMR_Sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pae177 300 uM '[U-13C; U-15N; U-2H]' D20 10 % 'natural abundance' H20 90 % 'natural abundance' Bis-Tris 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'Equipped with CryoProbe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Equipped with CryoProbe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Equipped with CryoProbe' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Equipped with CryoProbe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NMR_Sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NMR_Sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NMR_Sample_3 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $NMR_Sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NMR_Sample_3 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $NMR_Sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $NMR_Sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NMR_Sample_3 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NMR_Sample_3 save_ save_3D_TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY' _Sample_label $NMR_Sample_3 save_ save_3D_HNCOCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCACB' _Sample_label $NMR_Sample_3 save_ save_3D_HNCOCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label $NMR_Sample_3 save_ save_3D_HNCACO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $NMR_Sample_3 save_ save_3D_CC(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $NMR_Sample_2 save_ save_3D_HC(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH' _Sample_label $NMR_Sample_2 save_ save_3D_HBHACONH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHACONH' _Sample_label $NMR_Sample_2 save_ ####################### # Sample conditions # ####################### save_NMR _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.75 na indirect . . . 0.25144954 water H 1 protons ppm 4.75 na direct . . . 1 water N 15 protons ppm 4.75 na indirect . . . 0.10132900 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' '3D HN(COCA)CB' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '3D HNCO' stop_ loop_ _Sample_label $NMR_Sample_1 $NMR_Sample_2 $NMR_Sample_3 stop_ _Sample_conditions_label $NMR _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Pae177 _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 PRO HA H 4.433 0.05 1 2 2 2 PRO HB2 H 2.297 0.05 2 3 2 2 PRO HB3 H 1.920 0.05 2 4 2 2 PRO HG2 H 1.925 0.05 2 5 2 2 PRO C C 176.930 0.11 1 6 2 2 PRO CA C 62.812 0.25 1 7 2 2 PRO CB C 32.495 0.25 1 8 2 2 PRO CD C 51.394 0.30 1 9 2 2 PRO CG C 27.649 0.30 1 10 3 3 SER H H 8.409 0.01 1 11 3 3 SER HA H 4.434 0.05 1 12 3 3 SER HB2 H 3.868 0.05 2 13 3 3 SER C C 174.651 0.11 1 14 3 3 SER CA C 58.599 0.25 1 15 3 3 SER CB C 63.340 0.25 1 16 3 3 SER N N 115.966 0.14 1 17 4 4 SER H H 8.291 0.01 1 18 4 4 SER HA H 4.458 0.05 1 19 4 4 SER HB2 H 3.844 0.05 2 20 4 4 SER C C 174.039 0.11 1 21 4 4 SER CA C 58.522 0.25 1 22 4 4 SER CB C 63.434 0.25 1 23 4 4 SER N N 117.933 0.14 1 24 5 5 LYS H H 8.225 0.01 1 25 5 5 LYS HB2 H 1.779 0.05 2 26 5 5 LYS HD2 H 1.678 0.05 2 27 5 5 LYS HG2 H 1.410 0.05 2 28 5 5 LYS C C 174.433 0.11 1 29 5 5 LYS CA C 54.183 0.25 1 30 5 5 LYS CB C 31.489 0.25 1 31 5 5 LYS N N 124.188 0.14 1 32 6 6 PRO HA H 4.392 0.05 1 33 6 6 PRO HB2 H 2.266 0.05 2 34 6 6 PRO HB3 H 1.855 0.05 2 35 6 6 PRO HG2 H 2.271 0.05 2 36 6 6 PRO HG3 H 2.003 0.05 2 37 6 6 PRO C C 177.060 0.11 1 38 6 6 PRO CA C 63.627 0.25 1 39 6 6 PRO CB C 32.595 0.25 1 40 6 6 PRO CD C 51.261 0.30 1 41 6 6 PRO CG C 27.575 0.30 1 42 7 7 LEU H H 8.271 0.01 1 43 7 7 LEU HA H 4.232 0.05 1 44 7 7 LEU HB2 H 1.571 0.05 2 45 7 7 LEU HD1 H 0.887 0.05 2 46 7 7 LEU HD2 H 0.887 0.05 2 47 7 7 LEU HG H 1.599 0.05 1 48 7 7 LEU C C 177.601 0.11 1 49 7 7 LEU CA C 55.738 0.25 1 50 7 7 LEU CB C 42.501 0.25 1 51 7 7 LEU CD1 C 24.943 0.30 2 52 7 7 LEU CD2 C 23.853 0.30 2 53 7 7 LEU CG C 27.211 0.30 1 54 7 7 LEU N N 122.437 0.14 1 55 8 8 ALA H H 8.227 0.01 1 56 8 8 ALA HA H 4.201 0.05 1 57 8 8 ALA HB H 1.305 0.05 1 58 8 8 ALA C C 178.010 0.11 1 59 8 8 ALA CA C 53.651 0.25 1 60 8 8 ALA CB C 19.307 0.25 1 61 8 8 ALA N N 124.192 0.14 1 62 9 9 GLU H H 8.278 0.01 1 63 9 9 GLU HA H 4.118 0.05 1 64 9 9 GLU HB2 H 1.883 0.05 2 65 9 9 GLU HG2 H 2.141 0.05 2 66 9 9 GLU C C 176.658 0.11 1 67 9 9 GLU CA C 57.410 0.25 1 68 9 9 GLU CB C 30.256 0.25 1 69 9 9 GLU CG C 36.379 0.30 1 70 9 9 GLU N N 119.338 0.14 1 71 10 10 TYR H H 7.938 0.01 1 72 10 10 TYR HA H 4.478 0.05 1 73 10 10 TYR HB2 H 3.051 0.05 2 74 10 10 TYR HB3 H 2.943 0.05 2 75 10 10 TYR HD1 H 7.085 0.05 3 76 10 10 TYR C C 175.765 0.11 1 77 10 10 TYR CA C 58.384 0.25 1 78 10 10 TYR CB C 38.542 0.25 1 79 10 10 TYR N N 119.799 0.14 1 80 11 11 ALA H H 7.942 0.01 1 81 11 11 ALA HA H 4.228 0.05 1 82 11 11 ALA HB H 1.333 0.05 1 83 11 11 ALA C C 177.480 0.11 1 84 11 11 ALA CA C 53.407 0.25 1 85 11 11 ALA CB C 19.326 0.25 1 86 11 11 ALA N N 124.512 0.14 1 87 12 12 ARG H H 7.998 0.01 1 88 12 12 ARG HA H 4.234 0.05 1 89 12 12 ARG HB2 H 1.831 0.05 2 90 12 12 ARG HB3 H 1.754 0.05 2 91 12 12 ARG HD2 H 3.062 0.05 2 92 12 12 ARG HG2 H 1.606 0.05 2 93 12 12 ARG C C 176.639 0.11 1 94 12 12 ARG CA C 56.541 0.25 1 95 12 12 ARG CB C 30.869 0.25 1 96 12 12 ARG CD C 43.544 0.30 1 97 12 12 ARG CG C 27.300 0.30 1 98 12 12 ARG N N 119.719 0.14 1 99 13 13 LYS H H 8.205 0.01 1 100 13 13 LYS HA H 4.233 0.05 1 101 13 13 LYS HB2 H 1.771 0.05 2 102 13 13 LYS HD2 H 1.814 0.05 2 103 13 13 LYS HG2 H 1.414 0.05 2 104 13 13 LYS C C 176.657 0.11 1 105 13 13 LYS CA C 56.868 0.25 1 106 13 13 LYS CB C 32.595 0.25 1 107 13 13 LYS CD C 27.575 0.30 1 108 13 13 LYS CE C 42.356 0.30 1 109 13 13 LYS CG C 24.905 0.30 1 110 13 13 LYS N N 122.321 0.14 1 111 14 14 ARG H H 8.259 0.01 1 112 14 14 ARG HA H 4.218 0.05 1 113 14 14 ARG HB2 H 1.691 0.05 2 114 14 14 ARG HD2 H 2.912 0.05 2 115 14 14 ARG HG2 H 1.701 0.05 2 116 14 14 ARG HG3 H 1.523 0.05 2 117 14 14 ARG C C 175.709 0.11 1 118 14 14 ARG CA C 56.475 0.25 1 119 14 14 ARG CB C 30.892 0.25 1 120 14 14 ARG CD C 43.511 0.30 1 121 14 14 ARG CG C 27.062 0.30 1 122 14 14 ARG N N 122.044 0.14 1 123 15 15 ASP H H 8.216 0.01 1 124 15 15 ASP HA H 4.551 0.05 1 125 15 15 ASP HB2 H 2.637 0.05 2 126 15 15 ASP HB3 H 2.536 0.05 2 127 15 15 ASP C C 175.967 0.11 1 128 15 15 ASP CA C 54.209 0.25 1 129 15 15 ASP CB C 41.436 0.25 1 130 15 15 ASP N N 121.138 0.14 1 131 16 16 PHE H H 8.120 0.01 1 132 16 16 PHE HA H 4.547 0.05 1 133 16 16 PHE HB2 H 3.131 0.05 2 134 16 16 PHE HB3 H 3.029 0.05 2 135 16 16 PHE HD1 H 7.221 0.05 3 136 16 16 PHE C C 175.629 0.11 1 137 16 16 PHE CA C 58.239 0.25 1 138 16 16 PHE CB C 39.432 0.25 1 139 16 16 PHE N N 121.184 0.14 1 140 17 17 ARG H H 8.126 0.01 1 141 17 17 ARG HA H 4.213 0.05 1 142 17 17 ARG HB2 H 1.721 0.05 2 143 17 17 ARG HD2 H 3.002 0.05 2 144 17 17 ARG HG2 H 1.506 0.05 2 145 17 17 ARG C C 175.971 0.11 1 146 17 17 ARG CA C 56.384 0.25 1 147 17 17 ARG CB C 30.660 0.25 1 148 17 17 ARG CD C 43.475 0.30 1 149 17 17 ARG CG C 27.155 0.30 1 150 17 17 ARG N N 122.397 0.14 1 151 18 18 GLN H H 8.269 0.01 1 152 18 18 GLN HA H 4.311 0.05 1 153 18 18 GLN HB2 H 2.081 0.05 2 154 18 18 GLN HB3 H 1.956 0.05 2 155 18 18 GLN HG2 H 2.329 0.05 2 156 18 18 GLN C C 175.817 0.11 1 157 18 18 GLN CA C 56.054 0.25 1 158 18 18 GLN CB C 29.655 0.25 1 159 18 18 GLN CG C 34.010 0.30 1 160 18 18 GLN N N 121.240 0.14 1 161 19 19 THR H H 8.183 0.01 1 162 19 19 THR HA H 4.131 0.05 1 163 19 19 THR HG2 H 1.212 0.05 1 164 19 19 THR C C 172.658 0.11 1 165 19 19 THR CA C 59.480 0.25 1 166 19 19 THR CB C 69.156 0.25 1 167 19 19 THR N N 118.156 0.14 1 168 20 20 PRO HA H 4.410 0.05 1 169 20 20 PRO HB2 H 2.248 0.05 2 170 20 20 PRO HB3 H 1.852 0.05 2 171 20 20 PRO HD2 H 3.797 0.05 2 172 20 20 PRO HD3 H 3.673 0.05 2 173 20 20 PRO HG2 H 2.255 0.05 2 174 20 20 PRO HG3 H 1.997 0.05 2 175 20 20 PRO C C 176.706 0.11 1 176 20 20 PRO CA C 63.471 0.25 1 177 20 20 PRO CB C 32.299 0.25 1 178 20 20 PRO CD C 51.679 0.30 1 179 20 20 PRO CG C 27.369 0.30 1 180 21 21 GLU H H 8.452 0.01 1 181 21 21 GLU HA H 4.512 0.05 1 182 21 21 GLU HB2 H 1.860 0.05 2 183 21 21 GLU HG2 H 2.267 0.05 2 184 21 21 GLU HG3 H 1.991 0.05 2 185 21 21 GLU CA C 54.020 0.25 1 186 21 21 GLU CB C 28.810 0.25 1 187 21 21 GLU N N 122.764 0.14 1 188 22 22 PRO HA H 4.441 0.05 1 189 22 22 PRO HB2 H 2.297 0.05 2 190 22 22 PRO HB3 H 1.920 0.05 2 191 22 22 PRO HG2 H 2.303 0.05 2 192 22 22 PRO HG3 H 2.050 0.05 2 193 22 22 PRO C C 177.232 0.11 1 194 22 22 PRO CA C 63.967 0.25 1 195 22 22 PRO CB C 32.495 0.25 1 196 22 22 PRO CD C 51.394 0.30 1 197 22 22 PRO CG C 27.649 0.30 1 198 23 23 SER H H 8.412 0.01 1 199 23 23 SER HA H 4.394 0.05 1 200 23 23 SER HB2 H 3.889 0.05 2 201 23 23 SER C C 175.299 0.11 1 202 23 23 SER CA C 59.052 0.25 1 203 23 23 SER CB C 63.212 0.25 1 204 23 23 SER N N 115.967 0.14 1 205 24 24 GLY H H 8.365 0.01 1 206 24 24 GLY HA2 H 3.959 0.05 2 207 24 24 GLY C C 173.979 0.11 1 208 24 24 GLY CA C 45.506 0.25 1 209 24 24 GLY N N 110.630 0.14 1 210 25 25 ARG H H 8.073 0.01 1 211 25 25 ARG HA H 4.315 0.05 1 212 25 25 ARG HB2 H 1.798 0.05 2 213 25 25 ARG HB3 H 1.699 0.05 2 214 25 25 ARG HD2 H 3.164 0.05 2 215 25 25 ARG HG2 H 1.585 0.05 2 216 25 25 ARG C C 176.184 0.11 1 217 25 25 ARG CA C 56.240 0.25 1 218 25 25 ARG CB C 30.997 0.25 1 219 25 25 ARG CD C 43.544 0.30 1 220 25 25 ARG CG C 27.243 0.30 1 221 25 25 ARG N N 120.435 0.14 1 222 26 26 LYS H H 8.355 0.01 1 223 26 26 LYS HA H 4.556 0.05 1 224 26 26 LYS HB2 H 1.696 0.05 2 225 26 26 LYS HD2 H 1.793 0.05 2 226 26 26 LYS HG2 H 1.458 0.05 2 227 26 26 LYS C C 174.518 0.11 1 228 26 26 LYS CA C 53.839 0.25 1 229 26 26 LYS CB C 31.381 0.25 1 230 26 26 LYS N N 124.221 0.14 1 231 27 27 PRO HA H 4.393 0.05 1 232 27 27 PRO HB2 H 2.261 0.05 2 233 27 27 PRO HB3 H 1.843 0.05 2 234 27 27 PRO HD2 H 3.795 0.05 2 235 27 27 PRO HD3 H 3.610 0.05 2 236 27 27 PRO HG2 H 2.271 0.05 2 237 27 27 PRO HG3 H 1.990 0.05 2 238 27 27 PRO C C 176.716 0.11 1 239 27 27 PRO CA C 63.449 0.25 1 240 27 27 PRO CB C 32.360 0.25 1 241 27 27 PRO CD C 51.299 0.30 1 242 27 27 PRO CG C 27.490 0.30 1 243 28 28 ARG H H 8.414 0.01 1 244 28 28 ARG HA H 4.290 0.05 1 245 28 28 ARG HB2 H 1.821 0.05 2 246 28 28 ARG HB3 H 1.755 0.05 2 247 28 28 ARG HD2 H 3.186 0.05 2 248 28 28 ARG HG2 H 1.632 0.05 2 249 28 28 ARG C C 176.645 0.11 1 250 28 28 ARG CA C 56.347 0.25 1 251 28 28 ARG CB C 31.392 0.25 1 252 28 28 ARG CD C 43.528 0.30 1 253 28 28 ARG CG C 27.369 0.30 1 254 28 28 ARG N N 121.860 0.14 1 255 29 29 LYS H H 8.443 0.01 1 256 29 29 LYS HA H 4.278 0.05 1 257 29 29 LYS HB2 H 1.756 0.05 2 258 29 29 LYS HD2 H 1.767 0.05 2 259 29 29 LYS HG2 H 1.394 0.05 2 260 29 29 LYS C C 176.192 0.11 1 261 29 29 LYS CA C 56.750 0.25 1 262 29 29 LYS CB C 33.179 0.25 1 263 29 29 LYS CD C 29.139 0.30 1 264 29 29 LYS CE C 42.265 0.30 1 265 29 29 LYS CG C 24.696 0.30 1 266 29 29 LYS N N 123.155 0.14 1 267 30 30 ASP H H 8.356 0.01 1 268 30 30 ASP HA H 4.608 0.05 1 269 30 30 ASP HB2 H 2.671 0.05 2 270 30 30 ASP C C 176.315 0.11 1 271 30 30 ASP CA C 54.517 0.25 1 272 30 30 ASP CB C 41.489 0.25 1 273 30 30 ASP N N 121.395 0.14 1 274 31 31 SER H H 8.285 0.01 1 275 31 31 SER HA H 3.876 0.05 1 276 31 31 SER HB2 H 4.492 0.05 2 277 31 31 SER C C 174.869 0.11 1 278 31 31 SER CA C 58.645 0.25 1 279 31 31 SER CB C 63.085 0.25 1 280 31 31 SER N N 116.349 0.14 1 281 32 32 THR H H 8.231 0.01 1 282 32 32 THR HA H 4.218 0.05 1 283 32 32 THR HB H 3.892 0.05 1 284 32 32 THR HG2 H 1.198 0.05 1 285 32 32 THR C C 175.264 0.11 1 286 32 32 THR CA C 63.065 0.25 1 287 32 32 THR CB C 70.553 0.25 1 288 32 32 THR CG2 C 21.644 0.30 1 289 32 32 THR N N 115.872 0.14 1 290 33 33 GLY H H 8.417 0.01 1 291 33 33 GLY HA2 H 3.895 0.05 2 292 33 33 GLY C C 173.362 0.11 1 293 33 33 GLY CA C 45.459 0.25 1 294 33 33 GLY N N 111.490 0.14 1 295 34 34 LEU H H 7.826 0.01 1 296 34 34 LEU HA H 4.336 0.05 1 297 34 34 LEU HB2 H 1.535 0.05 2 298 34 34 LEU HD1 H 0.815 0.05 2 299 34 34 LEU HD2 H 0.815 0.05 2 300 34 34 LEU HG H 1.528 0.05 1 301 34 34 LEU C C 176.627 0.11 1 302 34 34 LEU CA C 55.234 0.25 1 303 34 34 LEU CB C 43.162 0.25 1 304 34 34 LEU CD1 C 25.143 0.30 2 305 34 34 LEU CD2 C 23.945 0.30 2 306 34 34 LEU CG C 27.144 0.30 1 307 34 34 LEU N N 121.452 0.14 1 308 35 35 LEU H H 8.492 0.01 1 309 35 35 LEU HA H 4.462 0.05 1 310 35 35 LEU HB2 H 1.451 0.05 2 311 35 35 LEU HD1 H 0.513 0.05 2 312 35 35 LEU HD2 H 0.814 0.05 2 313 35 35 LEU C C 176.687 0.11 1 314 35 35 LEU CA C 54.182 0.25 1 315 35 35 LEU CB C 43.249 0.25 1 316 35 35 LEU CD1 C 24.662 0.30 2 317 35 35 LEU N N 124.925 0.14 1 318 36 36 ARG H H 9.166 0.01 1 319 36 36 ARG HA H 4.991 0.05 1 320 36 36 ARG HB2 H 1.520 0.05 2 321 36 36 ARG HB3 H 1.650 0.05 2 322 36 36 ARG HG2 H 1.520 0.05 2 323 36 36 ARG C C 175.424 0.11 1 324 36 36 ARG CA C 55.916 0.25 1 325 36 36 ARG CB C 31.047 0.25 1 326 36 36 ARG CD C 42.975 0.30 1 327 36 36 ARG N N 122.925 0.14 1 328 37 37 TYR H H 8.399 0.01 1 329 37 37 TYR HA H 5.430 0.05 1 330 37 37 TYR HB2 H 3.057 0.05 2 331 37 37 TYR HB3 H 2.227 0.05 2 332 37 37 TYR HD1 H 6.300 0.05 3 333 37 37 TYR C C 174.159 0.11 1 334 37 37 TYR CA C 55.822 0.25 1 335 37 37 TYR CB C 44.069 0.25 1 336 37 37 TYR N N 118.827 0.14 1 337 38 38 CYS H H 8.763 0.01 1 338 38 38 CYS HA H 4.603 0.05 1 339 38 38 CYS HB2 H 2.826 0.05 2 340 38 38 CYS HB3 H 2.940 0.05 2 341 38 38 CYS C C 171.457 0.11 1 342 38 38 CYS CA C 56.450 0.25 1 343 38 38 CYS CB C 31.219 0.25 1 344 38 38 CYS N N 116.493 0.14 1 345 39 39 VAL H H 8.809 0.01 1 346 39 39 VAL HA H 5.534 0.05 1 347 39 39 VAL HB H 2.168 0.05 1 348 39 39 VAL HG1 H 1.196 0.05 2 349 39 39 VAL C C 176.518 0.11 1 350 39 39 VAL CA C 60.631 0.25 1 351 39 39 VAL CB C 35.049 0.25 1 352 39 39 VAL CG1 C 22.639 0.30 2 353 39 39 VAL N N 120.907 0.14 1 354 40 40 GLN H H 9.395 0.01 1 355 40 40 GLN HA H 5.376 0.05 1 356 40 40 GLN HB2 H 2.198 0.05 2 357 40 40 GLN HG2 H 2.198 0.05 2 358 40 40 GLN C C 174.426 0.11 1 359 40 40 GLN CA C 54.427 0.25 1 360 40 40 GLN CB C 31.064 0.25 1 361 40 40 GLN CG C 35.063 0.30 1 362 40 40 GLN N N 126.143 0.14 1 363 41 41 LYS H H 9.131 0.01 1 364 41 41 LYS HA H 5.520 0.05 1 365 41 41 LYS HB2 H 1.750 0.05 2 366 41 41 LYS C C 174.326 0.11 1 367 41 41 LYS CA C 54.503 0.25 1 368 41 41 LYS CB C 35.121 0.25 1 369 41 41 LYS N N 123.012 0.14 1 370 42 42 HIS C C 174.086 0.11 1 371 42 42 HIS CA C 54.770 0.25 1 372 42 42 HIS CB C 29.550 0.25 1 373 43 43 ASP H H 8.493 0.01 1 374 43 43 ASP HB2 H 2.640 0.05 2 375 43 43 ASP CA C 54.390 0.25 1 376 43 43 ASP CB C 41.190 0.25 1 377 43 43 ASP N N 122.522 0.14 1 378 44 44 ALA HA H 4.860 0.05 1 379 44 44 ALA HB H 1.530 0.05 1 380 44 44 ALA CA C 53.430 0.25 1 381 45 45 SER HA H 4.413 0.05 1 382 45 45 SER HB2 H 3.808 0.05 2 383 45 45 SER C C 173.085 0.11 1 384 45 45 SER CA C 58.640 0.25 1 385 45 45 SER CB C 63.790 0.25 1 386 46 46 ARG H H 8.053 0.01 1 387 46 46 ARG HG2 H 1.547 0.05 2 388 46 46 ARG CA C 53.630 0.25 1 389 46 46 ARG CB C 32.550 0.25 1 390 46 46 ARG N N 121.645 0.14 1 391 47 47 LEU HA H 4.260 0.05 1 392 47 47 LEU HD1 H 0.864 0.05 2 393 49 49 TYR HA H 5.324 0.05 1 394 49 49 TYR HB2 H 2.449 0.05 2 395 49 49 TYR HD1 H 6.620 0.05 3 396 49 49 TYR C C 174.910 0.11 1 397 49 49 TYR CA C 56.997 0.25 1 398 49 49 TYR CB C 40.242 0.25 1 399 50 50 ASP H H 9.372 0.01 1 400 50 50 ASP HA H 5.522 0.05 1 401 50 50 ASP HB2 H 2.564 0.05 2 402 50 50 ASP HB3 H 2.432 0.05 2 403 50 50 ASP C C 173.681 0.11 1 404 50 50 ASP CA C 54.004 0.25 1 405 50 50 ASP CB C 42.720 0.25 1 406 50 50 ASP N N 122.563 0.14 1 407 51 51 PHE H H 9.734 0.01 1 408 51 51 PHE HA H 4.904 0.05 1 409 51 51 PHE HB2 H 3.252 0.05 2 410 51 51 PHE HB3 H 2.490 0.05 2 411 51 51 PHE C C 173.552 0.11 1 412 51 51 PHE CA C 57.427 0.25 1 413 51 51 PHE CB C 43.604 0.25 1 414 51 51 PHE N N 127.678 0.14 1 415 52 52 ARG H H 8.458 0.01 1 416 52 52 ARG HA H 5.551 0.05 1 417 52 52 ARG HD2 H 3.891 0.05 2 418 52 52 ARG HD3 H 3.474 0.05 2 419 52 52 ARG C C 173.835 0.11 1 420 52 52 ARG CA C 54.009 0.25 1 421 52 52 ARG CB C 32.471 0.25 1 422 52 52 ARG N N 125.473 0.14 1 423 53 53 LEU H H 9.027 0.01 1 424 53 53 LEU HA H 4.214 0.05 1 425 53 53 LEU HB2 H 1.710 0.05 2 426 53 53 LEU HD1 H -0.850 0.05 2 427 53 53 LEU HD2 H 0.574 0.05 2 428 53 53 LEU C C 175.955 0.11 1 429 53 53 LEU CA C 53.362 0.25 1 430 53 53 LEU CB C 43.053 0.25 1 431 53 53 LEU CD1 C 23.296 0.30 2 432 53 53 LEU N N 120.906 0.14 1 433 54 54 GLU H H 9.003 0.01 1 434 54 54 GLU HA H 4.682 0.05 1 435 54 54 GLU HB2 H 1.600 0.05 2 436 54 54 GLU HG2 H 2.110 0.05 2 437 54 54 GLU HG3 H 2.550 0.05 2 438 54 54 GLU C C 175.956 0.11 1 439 54 54 GLU CA C 56.915 0.25 1 440 54 54 GLU CB C 31.141 0.25 1 441 54 54 GLU CG C 35.787 0.30 1 442 54 54 GLU N N 124.566 0.14 1 443 55 55 LEU H H 8.995 0.01 1 444 55 55 LEU HA H 4.567 0.05 1 445 55 55 LEU HB2 H 1.743 0.05 2 446 55 55 LEU HD1 H 1.070 0.05 2 447 55 55 LEU HG H 1.570 0.05 1 448 55 55 LEU C C 175.320 0.11 1 449 55 55 LEU CA C 56.368 0.25 1 450 55 55 LEU CB C 44.096 0.25 1 451 55 55 LEU CD1 C 23.296 0.30 2 452 55 55 LEU CG C 27.122 0.30 1 453 55 55 LEU N N 124.036 0.14 1 454 56 56 ASP H H 9.092 0.01 1 455 56 56 ASP HA H 4.322 0.05 1 456 56 56 ASP HB2 H 2.953 0.05 2 457 56 56 ASP HB3 H 2.652 0.05 2 458 56 56 ASP C C 176.761 0.11 1 459 56 56 ASP CA C 55.928 0.25 1 460 56 56 ASP CB C 39.695 0.25 1 461 56 56 ASP N N 125.247 0.14 1 462 57 57 GLY H H 8.969 0.01 1 463 57 57 GLY HA2 H 4.138 0.05 2 464 57 57 GLY HA3 H 3.731 0.05 2 465 57 57 GLY C C 173.345 0.11 1 466 57 57 GLY CA C 46.446 0.25 1 467 57 57 GLY N N 103.514 0.14 1 468 58 58 THR H H 7.810 0.01 1 469 58 58 THR HA H 4.515 0.05 1 470 58 58 THR HB H 3.931 0.05 1 471 58 58 THR HG2 H 1.067 0.05 1 472 58 58 THR C C 170.918 0.11 1 473 58 58 THR CA C 60.500 0.25 1 474 58 58 THR CB C 71.046 0.25 1 475 58 58 THR CG2 C 20.679 0.30 1 476 58 58 THR N N 114.584 0.14 1 477 59 59 LEU H H 8.787 0.01 1 478 59 59 LEU HA H 4.760 0.05 1 479 59 59 LEU HB2 H 1.890 0.05 2 480 59 59 LEU HB3 H 1.390 0.05 2 481 59 59 LEU HD1 H 0.762 0.05 2 482 59 59 LEU HD2 H 0.574 0.05 2 483 59 59 LEU HG H 1.390 0.05 1 484 59 59 LEU C C 177.701 0.11 1 485 59 59 LEU CA C 52.825 0.25 1 486 59 59 LEU CB C 40.699 0.25 1 487 59 59 LEU N N 119.805 0.14 1 488 60 60 LYS H H 9.173 0.01 1 489 60 60 LYS HA H 4.072 0.05 1 490 60 60 LYS HB2 H 1.910 0.05 2 491 60 60 LYS HD2 H 1.400 0.05 2 492 60 60 LYS HG2 H 1.283 0.05 2 493 60 60 LYS C C 175.810 0.11 1 494 60 60 LYS CA C 54.425 0.25 1 495 60 60 LYS CB C 28.806 0.25 1 496 60 60 LYS CE C 41.609 0.30 1 497 60 60 LYS N N 130.224 0.14 1 498 61 61 SER H H 9.051 0.01 1 499 61 61 SER HA H 5.444 0.05 1 500 61 61 SER HB2 H 3.440 0.05 2 501 61 61 SER C C 171.617 0.11 1 502 61 61 SER CA C 59.102 0.25 1 503 61 61 SER CB C 67.301 0.25 1 504 61 61 SER N N 119.802 0.14 1 505 62 62 TRP H H 9.270 0.01 1 506 62 62 TRP HA H 5.248 0.05 1 507 62 62 TRP HB2 H 2.930 0.05 2 508 62 62 TRP HB3 H 2.534 0.05 2 509 62 62 TRP HD1 H 7.610 0.05 1 510 62 62 TRP HE1 H 10.525 0.05 1 511 62 62 TRP HZ2 H 7.890 0.05 1 512 62 62 TRP C C 175.014 0.11 1 513 62 62 TRP CA C 57.269 0.25 1 514 62 62 TRP CB C 34.584 0.25 1 515 62 62 TRP N N 122.660 0.14 1 516 62 62 TRP NE1 N 132.910 0.14 1 517 63 63 ALA H H 9.798 0.01 1 518 63 63 ALA HA H 5.150 0.05 1 519 63 63 ALA HB H 1.377 0.05 1 520 63 63 ALA C C 177.279 0.11 1 521 63 63 ALA CA C 50.962 0.25 1 522 63 63 ALA CB C 20.438 0.25 1 523 63 63 ALA N N 127.580 0.14 1 524 64 64 VAL H H 9.230 0.01 1 525 64 64 VAL HA H 4.370 0.05 1 526 64 64 VAL HG1 H 0.723 0.05 2 527 64 64 VAL HG2 H 0.610 0.05 2 528 64 64 VAL C C 175.424 0.11 1 529 64 64 VAL CA C 58.116 0.25 1 530 64 64 VAL CB C 31.487 0.25 1 531 64 64 VAL N N 124.472 0.14 1 532 65 65 PRO HA H 4.614 0.05 1 533 65 65 PRO HB2 H 2.342 0.05 2 534 65 65 PRO HB3 H 2.070 0.05 2 535 65 65 PRO HD2 H 3.490 0.05 2 536 65 65 PRO HD3 H 3.570 0.05 2 537 65 65 PRO HG2 H 2.092 0.05 2 538 65 65 PRO C C 176.064 0.11 1 539 65 65 PRO CA C 62.655 0.25 1 540 65 65 PRO CB C 34.502 0.25 1 541 65 65 PRO CD C 50.198 0.30 1 542 65 65 PRO CG C 24.963 0.30 1 543 66 66 LYS H H 8.658 0.01 1 544 66 66 LYS HA H 4.289 0.05 1 545 66 66 LYS HB2 H 2.045 0.05 2 546 66 66 LYS HB3 H 1.884 0.05 2 547 66 66 LYS C C 176.654 0.11 1 548 66 66 LYS CA C 56.158 0.25 1 549 66 66 LYS CB C 29.674 0.25 1 550 66 66 LYS N N 121.838 0.14 1 551 67 67 GLY H H 8.085 0.01 1 552 67 67 GLY C C 174.018 0.11 1 553 67 67 GLY CA C 44.750 0.25 1 554 67 67 GLY N N 108.494 0.14 1 555 69 69 CYS HA H 4.730 0.05 1 556 69 69 CYS HB2 H 3.160 0.05 2 557 69 69 CYS C C 172.925 0.11 1 558 69 69 CYS CA C 57.438 0.25 1 559 69 69 CYS CB C 29.017 0.25 1 560 70 70 LEU H H 8.681 0.01 1 561 70 70 LEU HA H 4.334 0.05 1 562 70 70 LEU HB2 H 1.319 0.05 2 563 70 70 LEU HB3 H 1.860 0.05 2 564 70 70 LEU HD1 H 0.852 0.05 2 565 70 70 LEU HG H 1.200 0.05 1 566 70 70 LEU C C 174.767 0.11 1 567 70 70 LEU CA C 55.330 0.25 1 568 70 70 LEU CB C 41.197 0.25 1 569 70 70 LEU N N 125.138 0.14 1 570 71 71 ASP H H 7.965 0.01 1 571 71 71 ASP HA H 4.910 0.05 1 572 71 71 ASP HB2 H 2.650 0.05 2 573 71 71 ASP C C 175.774 0.11 1 574 71 71 ASP CA C 51.228 0.25 1 575 71 71 ASP CB C 42.260 0.25 1 576 71 71 ASP N N 122.849 0.14 1 577 72 72 PRO HA H 4.822 0.05 1 578 72 72 PRO HB2 H 2.373 0.05 2 579 72 72 PRO HB3 H 2.153 0.05 2 580 72 72 PRO HD2 H 4.150 0.05 2 581 72 72 PRO HG2 H 1.905 0.05 2 582 72 72 PRO C C 176.299 0.11 1 583 72 72 PRO CA C 62.701 0.25 1 584 72 72 PRO CB C 34.399 0.25 1 585 72 72 PRO CG C 24.876 0.30 1 586 73 73 ALA H H 8.561 0.01 1 587 73 73 ALA HA H 4.157 0.05 1 588 73 73 ALA HB H 1.342 0.05 1 589 73 73 ALA C C 177.463 0.11 1 590 73 73 ALA CA C 51.856 0.25 1 591 73 73 ALA CB C 19.130 0.25 1 592 73 73 ALA N N 118.001 0.14 1 593 74 74 VAL H H 7.829 0.01 1 594 74 74 VAL HA H 4.249 0.05 1 595 74 74 VAL HB H 1.587 0.05 1 596 74 74 VAL HG1 H 0.899 0.05 2 597 74 74 VAL C C 173.981 0.11 1 598 74 74 VAL CA C 62.036 0.25 1 599 74 74 VAL CB C 33.077 0.25 1 600 74 74 VAL CG1 C 21.435 0.30 2 601 74 74 VAL N N 121.739 0.14 1 602 75 75 LYS H H 8.339 0.01 1 603 75 75 LYS HA H 4.408 0.05 1 604 75 75 LYS HB2 H 1.170 0.05 2 605 75 75 LYS HD2 H 1.265 0.05 2 606 75 75 LYS HG2 H 0.877 0.05 2 607 75 75 LYS C C 176.410 0.11 1 608 75 75 LYS CA C 54.723 0.25 1 609 75 75 LYS CB C 31.643 0.25 1 610 75 75 LYS CG C 24.197 0.30 1 611 75 75 LYS N N 125.264 0.14 1 612 76 76 ARG H H 7.915 0.01 1 613 76 76 ARG HB2 H 1.176 0.05 2 614 76 76 ARG C C 175.095 0.11 1 615 76 76 ARG CA C 53.088 0.25 1 616 76 76 ARG CB C 29.978 0.25 1 617 76 76 ARG N N 123.748 0.14 1 618 77 77 LEU H H 8.646 0.01 1 619 77 77 LEU HA H 4.321 0.05 1 620 77 77 LEU HB2 H 1.787 0.05 2 621 77 77 LEU HD1 H 0.918 0.05 2 622 77 77 LEU HG H 1.626 0.05 1 623 77 77 LEU C C 174.413 0.11 1 624 77 77 LEU CA C 56.450 0.25 1 625 77 77 LEU CB C 42.510 0.25 1 626 77 77 LEU CD1 C 23.459 0.30 2 627 77 77 LEU CG C 25.756 0.30 1 628 77 77 LEU N N 127.863 0.14 1 629 78 78 ALA H H 8.961 0.01 1 630 78 78 ALA HA H 5.341 0.05 1 631 78 78 ALA HB H 0.898 0.05 1 632 78 78 ALA C C 175.322 0.11 1 633 78 78 ALA CA C 50.082 0.25 1 634 78 78 ALA CB C 21.769 0.25 1 635 78 78 ALA N N 128.374 0.14 1 636 79 79 VAL H H 9.649 0.01 1 637 79 79 VAL HA H 4.753 0.05 1 638 79 79 VAL HB H 2.095 0.05 1 639 79 79 VAL HG1 H 0.997 0.05 2 640 79 79 VAL HG2 H 0.750 0.05 2 641 79 79 VAL C C 176.118 0.11 1 642 79 79 VAL CA C 62.108 0.25 1 643 79 79 VAL CB C 33.076 0.25 1 644 79 79 VAL CG1 C 21.656 0.30 2 645 79 79 VAL N N 125.403 0.14 1 646 80 80 GLN H H 9.103 0.01 1 647 80 80 GLN HA H 3.674 0.05 1 648 80 80 GLN HB2 H 2.167 0.05 2 649 80 80 GLN C C 175.533 0.11 1 650 80 80 GLN CA C 58.119 0.25 1 651 80 80 GLN CB C 28.255 0.25 1 652 80 80 GLN CG C 33.198 0.30 1 653 80 80 GLN N N 130.049 0.14 1 654 81 81 VAL H H 7.853 0.01 1 655 81 81 VAL HA H 4.682 0.05 1 656 81 81 VAL HB H 2.295 0.05 1 657 81 81 VAL HG1 H 0.898 0.05 2 658 81 81 VAL HG2 H 0.639 0.05 2 659 81 81 VAL C C 175.481 0.11 1 660 81 81 VAL CA C 59.719 0.25 1 661 81 81 VAL CB C 33.136 0.25 1 662 81 81 VAL CG1 C 21.383 0.30 2 663 81 81 VAL CG2 C 18.923 0.30 2 664 81 81 VAL N N 122.049 0.14 1 665 82 82 GLU H H 8.531 0.01 1 666 82 82 GLU HA H 4.025 0.05 1 667 82 82 GLU HB2 H 1.970 0.05 2 668 82 82 GLU HB3 H 1.870 0.05 2 669 82 82 GLU HG2 H 2.271 0.05 2 670 82 82 GLU HG3 H 2.370 0.05 2 671 82 82 GLU C C 175.779 0.11 1 672 82 82 GLU CA C 56.593 0.25 1 673 82 82 GLU CB C 28.793 0.25 1 674 82 82 GLU CG C 33.136 0.30 1 675 82 82 GLU N N 121.273 0.14 1 676 83 83 ASP H H 8.364 0.01 1 677 83 83 ASP HA H 4.523 0.05 1 678 83 83 ASP HB2 H 2.777 0.05 2 679 83 83 ASP HB3 H 2.681 0.05 2 680 83 83 ASP C C 176.299 0.11 1 681 83 83 ASP CA C 55.002 0.25 1 682 83 83 ASP CB C 40.050 0.25 1 683 83 83 ASP N N 121.818 0.14 1 684 84 84 HIS H H 8.485 0.01 1 685 84 84 HIS HA H 4.967 0.05 1 686 84 84 HIS HB2 H 3.021 0.05 2 687 84 84 HIS C C 171.279 0.11 1 688 84 84 HIS CA C 56.732 0.25 1 689 84 84 HIS CB C 28.791 0.25 1 690 84 84 HIS N N 121.317 0.14 1 691 85 85 PRO HA H 4.860 0.05 1 692 85 85 PRO HD2 H 3.870 0.05 2 693 85 85 PRO HD3 H 3.708 0.05 2 694 85 85 PRO C C 175.877 0.11 1 695 85 85 PRO CA C 62.431 0.25 1 696 85 85 PRO CB C 31.055 0.25 1 697 85 85 PRO CD C 50.770 0.30 1 698 86 86 LEU H H 8.499 0.01 1 699 86 86 LEU HA H 4.040 0.05 1 700 86 86 LEU HD1 H 0.670 0.05 2 701 86 86 LEU HD2 H 0.590 0.05 2 702 86 86 LEU C C 173.955 0.11 1 703 86 86 LEU CA C 54.388 0.25 1 704 86 86 LEU CB C 42.541 0.25 1 705 86 86 LEU N N 124.173 0.14 1 706 87 87 ASP H H 8.776 0.01 1 707 87 87 ASP HA H 4.330 0.05 1 708 87 87 ASP CA C 52.774 0.25 1 709 87 87 ASP CB C 41.261 0.25 1 710 87 87 ASP N N 127.120 0.14 1 711 88 88 TYR HA H 4.387 0.05 1 712 88 88 TYR HB2 H 3.062 0.05 2 713 88 88 TYR HB3 H 2.908 0.05 2 714 88 88 TYR HD1 H 7.010 0.05 3 715 88 88 TYR C C 175.642 0.11 1 716 88 88 TYR CA C 59.468 0.25 1 717 88 88 TYR CB C 38.606 0.25 1 718 89 89 ALA H H 8.206 0.01 1 719 89 89 ALA HA H 4.131 0.05 1 720 89 89 ALA HB H 1.248 0.05 1 721 89 89 ALA C C 178.188 0.11 1 722 89 89 ALA CA C 53.170 0.25 1 723 89 89 ALA CB C 18.917 0.25 1 724 89 89 ALA N N 122.315 0.14 1 725 90 90 ASP H H 7.730 0.01 1 726 90 90 ASP HA H 4.589 0.05 1 727 90 90 ASP HB2 H 2.648 0.05 2 728 90 90 ASP HB3 H 2.450 0.05 2 729 90 90 ASP C C 176.205 0.11 1 730 90 90 ASP CA C 55.002 0.25 1 731 90 90 ASP CB C 41.335 0.25 1 732 90 90 ASP N N 117.045 0.14 1 733 91 91 PHE H H 7.856 0.01 1 734 91 91 PHE HA H 4.560 0.05 1 735 91 91 PHE HB2 H 2.613 0.05 2 736 91 91 PHE HD1 H 7.143 0.05 3 737 91 91 PHE HE1 H 7.100 0.05 3 738 91 91 PHE C C 175.487 0.11 1 739 91 91 PHE CA C 59.042 0.25 1 740 91 91 PHE CB C 39.952 0.25 1 741 91 91 PHE N N 118.933 0.14 1 742 92 92 GLU H H 7.890 0.01 1 743 92 92 GLU HA H 4.214 0.05 1 744 92 92 GLU HB2 H 2.044 0.05 2 745 92 92 GLU HB3 H 1.908 0.05 2 746 92 92 GLU HG2 H 2.259 0.05 2 747 92 92 GLU C C 176.819 0.11 1 748 92 92 GLU CA C 56.876 0.25 1 749 92 92 GLU CB C 30.864 0.25 1 750 92 92 GLU CG C 36.467 0.30 1 751 92 92 GLU N N 119.535 0.14 1 752 93 93 GLY H H 8.143 0.01 1 753 93 93 GLY HA2 H 3.876 0.05 2 754 93 93 GLY HA3 H 3.940 0.05 2 755 93 93 GLY C C 174.106 0.11 1 756 93 93 GLY CA C 45.453 0.25 1 757 93 93 GLY N N 108.715 0.14 1 758 94 94 SER H H 8.177 0.01 1 759 94 94 SER HA H 4.464 0.05 1 760 94 94 SER HB2 H 3.809 0.05 2 761 94 94 SER C C 174.191 0.11 1 762 94 94 SER CA C 58.637 0.25 1 763 94 94 SER CB C 63.804 0.25 1 764 94 94 SER N N 115.749 0.14 1 765 95 95 ILE H H 8.162 0.01 1 766 95 95 ILE HB H 1.760 0.05 1 767 95 95 ILE HD1 H 0.713 0.05 1 768 95 95 ILE HG12 H 1.354 0.05 2 769 95 95 ILE HG13 H 1.420 0.05 2 770 95 95 ILE HG2 H 0.980 0.05 1 771 95 95 ILE C C 174.717 0.11 1 772 95 95 ILE CB C 37.432 0.25 1 773 95 95 ILE N N 123.649 0.14 1 774 96 96 PRO HA H 4.321 0.05 1 775 96 96 PRO HB2 H 2.167 0.05 2 776 96 96 PRO HB3 H 1.781 0.05 2 777 96 96 PRO HD2 H 3.470 0.05 2 778 96 96 PRO HG2 H 1.763 0.05 2 779 96 96 PRO C C 176.655 0.11 1 780 96 96 PRO CA C 63.969 0.25 1 781 96 96 PRO CB C 32.464 0.25 1 782 96 96 PRO CD C 51.812 0.30 1 783 96 96 PRO CG C 27.781 0.30 1 784 97 97 GLN H H 8.388 0.01 1 785 97 97 GLN HA H 4.241 0.05 1 786 97 97 GLN HB2 H 2.070 0.05 2 787 97 97 GLN HB3 H 1.934 0.05 2 788 97 97 GLN HG2 H 2.355 0.05 2 789 97 97 GLN C C 176.605 0.11 1 790 97 97 GLN CA C 56.323 0.25 1 791 97 97 GLN CB C 29.548 0.25 1 792 97 97 GLN CG C 33.965 0.30 1 793 97 97 GLN N N 120.121 0.14 1 794 98 98 GLY H H 8.348 0.01 1 795 98 98 GLY HA2 H 3.896 0.05 2 796 98 98 GLY HA3 H 3.845 0.05 2 797 98 98 GLY C C 173.772 0.11 1 798 98 98 GLY CA C 45.432 0.25 1 799 98 98 GLY N N 109.599 0.14 1 800 99 99 HIS H H 8.141 0.01 1 801 99 99 HIS HA H 4.565 0.05 1 802 99 99 HIS HB2 H 3.108 0.05 2 803 99 99 HIS HB3 H 3.008 0.05 2 804 99 99 HIS C C 174.378 0.11 1 805 99 99 HIS CA C 55.209 0.25 1 806 99 99 HIS CB C 29.098 0.25 1 807 99 99 HIS N N 118.817 0.14 1 808 100 100 TYR H H 8.291 0.01 1 809 100 100 TYR HA H 4.502 0.05 1 810 100 100 TYR HB2 H 3.004 0.05 2 811 100 100 TYR HB3 H 2.855 0.05 2 812 100 100 TYR HD1 H 7.030 0.05 3 813 100 100 TYR CA C 58.282 0.25 1 814 100 100 TYR CB C 38.835 0.25 1 815 100 100 TYR N N 121.686 0.14 1 816 101 101 GLY H H 8.367 0.01 1 817 101 101 GLY HA2 H 3.838 0.05 2 818 101 101 GLY C C 173.794 0.11 1 819 101 101 GLY CA C 45.282 0.25 1 820 101 101 GLY N N 111.203 0.14 1 821 102 102 ALA H H 8.116 0.01 1 822 102 102 ALA HA H 4.289 0.05 1 823 102 102 ALA HB H 1.357 0.05 1 824 102 102 ALA C C 178.343 0.11 1 825 102 102 ALA CA C 53.395 0.25 1 826 102 102 ALA CB C 19.413 0.25 1 827 102 102 ALA N N 123.594 0.14 1 828 103 103 GLY H H 8.396 0.01 1 829 103 103 GLY HA2 H 3.989 0.05 2 830 103 103 GLY HA3 H 3.885 0.05 2 831 103 103 GLY C C 173.819 0.11 1 832 103 103 GLY CA C 45.478 0.25 1 833 103 103 GLY N N 108.333 0.14 1 834 104 104 ASP H H 8.209 0.01 1 835 104 104 ASP HA H 4.619 0.05 1 836 104 104 ASP HB2 H 2.636 0.05 2 837 104 104 ASP C C 175.436 0.11 1 838 104 104 ASP CA C 54.639 0.25 1 839 104 104 ASP CB C 41.554 0.25 1 840 104 104 ASP N N 119.921 0.14 1 841 105 105 VAL H H 7.859 0.01 1 842 105 105 VAL HA H 4.290 0.05 1 843 105 105 VAL HB H 1.754 0.05 1 844 105 105 VAL HG1 H 0.542 0.05 2 845 105 105 VAL HG2 H 0.796 0.05 2 846 105 105 VAL C C 175.051 0.11 1 847 105 105 VAL CA C 62.080 0.25 1 848 105 105 VAL CB C 32.345 0.25 1 849 105 105 VAL CG1 C 20.945 0.30 2 850 105 105 VAL N N 119.304 0.14 1 851 106 106 ILE H H 8.348 0.01 1 852 106 106 ILE HA H 4.472 0.05 1 853 106 106 ILE HB H 1.773 0.05 1 854 106 106 ILE HD1 H 0.820 0.05 1 855 106 106 ILE HG12 H 1.362 0.05 2 856 106 106 ILE HG2 H 1.050 0.05 1 857 106 106 ILE CA C 59.648 0.25 1 858 106 106 ILE CB C 40.374 0.25 1 859 106 106 ILE CD1 C 13.456 0.30 1 860 106 106 ILE CG1 C 26.849 0.30 1 861 106 106 ILE CG2 C 17.829 0.30 1 862 106 106 ILE N N 123.382 0.14 1 863 107 107 VAL H H 8.844 0.01 1 864 107 107 VAL HA H 3.960 0.05 1 865 107 107 VAL HB H 2.024 0.05 1 866 107 107 VAL HG1 H 0.874 0.05 2 867 107 107 VAL HG2 H 0.787 0.05 2 868 107 107 VAL C C 174.115 0.11 1 869 107 107 VAL CA C 63.540 0.25 1 870 107 107 VAL CB C 29.854 0.25 1 871 107 107 VAL CG1 C 21.656 0.30 2 872 107 107 VAL N N 125.829 0.14 1 873 108 108 TRP H H 9.152 0.01 1 874 108 108 TRP HA H 4.394 0.05 1 875 108 108 TRP HB2 H 3.068 0.05 2 876 108 108 TRP HE3 H 7.330 0.05 1 877 108 108 TRP HZ2 H 7.330 0.05 1 878 108 108 TRP C C 174.785 0.11 1 879 108 108 TRP CA C 61.288 0.25 1 880 108 108 TRP CB C 31.222 0.25 1 881 108 108 TRP N N 132.504 0.14 1 882 109 109 ASP H H 8.254 0.01 1 883 109 109 ASP HA H 4.968 0.05 1 884 109 109 ASP HB2 H 2.553 0.05 2 885 109 109 ASP HB3 H 2.460 0.05 2 886 109 109 ASP C C 174.015 0.11 1 887 109 109 ASP CA C 53.013 0.25 1 888 109 109 ASP CB C 45.167 0.25 1 889 109 109 ASP N N 111.513 0.14 1 890 110 110 ARG H H 8.122 0.01 1 891 110 110 ARG HA H 4.294 0.05 1 892 110 110 ARG HB2 H 1.791 0.05 2 893 110 110 ARG HG2 H 1.484 0.05 2 894 110 110 ARG C C 173.584 0.11 1 895 110 110 ARG CA C 54.393 0.25 1 896 110 110 ARG CB C 31.785 0.25 1 897 110 110 ARG CG C 25.482 0.30 1 898 110 110 ARG N N 118.135 0.14 1 899 111 111 GLY H H 7.080 0.01 1 900 111 111 GLY HA2 H 3.920 0.05 2 901 111 111 GLY C C 171.699 0.11 1 902 111 111 GLY CA C 46.273 0.25 1 903 111 111 GLY N N 106.527 0.14 1 904 112 112 ALA H H 8.649 0.01 1 905 112 112 ALA HA H 5.888 0.05 1 906 112 112 ALA HB H 1.522 0.05 1 907 112 112 ALA C C 176.747 0.11 1 908 112 112 ALA CA C 50.437 0.25 1 909 112 112 ALA CB C 23.134 0.25 1 910 112 112 ALA N N 128.428 0.14 1 911 113 113 TRP H H 9.278 0.01 1 912 113 113 TRP HA H 5.856 0.05 1 913 113 113 TRP HB2 H 3.345 0.05 2 914 113 113 TRP HB3 H 2.580 0.05 2 915 113 113 TRP HD1 H 6.950 0.05 1 916 113 113 TRP HE1 H 10.653 0.05 1 917 113 113 TRP HE3 H 7.100 0.05 1 918 113 113 TRP HZ2 H 7.430 0.05 1 919 113 113 TRP HZ3 H 6.800 0.05 1 920 113 113 TRP C C 173.346 0.11 1 921 113 113 TRP CA C 54.455 0.25 1 922 113 113 TRP CB C 33.119 0.25 1 923 113 113 TRP N N 122.160 0.14 1 924 113 113 TRP NE1 N 131.730 0.14 1 925 114 114 THR H H 9.124 0.01 1 926 114 114 THR HB H 3.938 0.05 1 927 114 114 THR HG2 H 1.084 0.05 1 928 114 114 THR C C 172.408 0.11 1 929 114 114 THR CA C 58.261 0.25 1 930 114 114 THR CB C 71.335 0.25 1 931 114 114 THR N N 115.735 0.14 1 932 115 115 PRO HA H 4.760 0.05 1 933 115 115 PRO HB2 H 2.374 0.05 2 934 115 115 PRO HB3 H 2.310 0.05 2 935 115 115 PRO HD2 H 3.681 0.05 2 936 115 115 PRO C C 177.113 0.11 1 937 115 115 PRO CA C 62.655 0.25 1 938 115 115 PRO CB C 32.042 0.25 1 939 115 115 PRO CG C 26.139 0.30 1 940 116 116 LEU H H 8.786 0.01 1 941 116 116 LEU HA H 4.433 0.05 1 942 116 116 LEU HB2 H 1.390 0.05 2 943 116 116 LEU HB3 H 1.491 0.05 2 944 116 116 LEU HD1 H 0.804 0.05 2 945 116 116 LEU HD2 H 0.804 0.05 2 946 116 116 LEU HG H 1.610 0.05 1 947 116 116 LEU C C 176.280 0.11 1 948 116 116 LEU CA C 55.685 0.25 1 949 116 116 LEU CB C 41.310 0.25 1 950 116 116 LEU CD1 C 25.278 0.30 2 951 116 116 LEU CD2 C 22.698 0.30 2 952 116 116 LEU CG C 28.163 0.30 1 953 116 116 LEU N N 124.408 0.14 1 954 117 117 ASP H H 7.892 0.01 1 955 117 117 ASP HA H 4.639 0.05 1 956 117 117 ASP HB2 H 2.859 0.05 2 957 117 117 ASP HB3 H 2.692 0.05 2 958 117 117 ASP C C 174.998 0.11 1 959 117 117 ASP CA C 52.820 0.25 1 960 117 117 ASP CB C 43.199 0.25 1 961 117 117 ASP N N 118.070 0.14 1 962 118 118 ASP H H 8.549 0.01 1 963 118 118 ASP HA H 4.538 0.05 1 964 118 118 ASP HB2 H 2.860 0.05 2 965 118 118 ASP HB3 H 2.750 0.05 2 966 118 118 ASP C C 177.024 0.11 1 967 118 118 ASP CA C 52.363 0.25 1 968 118 118 ASP CB C 41.682 0.25 1 969 118 118 ASP N N 120.470 0.14 1 970 119 119 PRO HA H 4.596 0.05 1 971 119 119 PRO HB2 H 2.210 0.05 2 972 119 119 PRO HD2 H 4.100 0.05 2 973 119 119 PRO HD3 H 3.930 0.05 2 974 119 119 PRO HG2 H 1.898 0.05 2 975 119 119 PRO C C 178.097 0.11 1 976 119 119 PRO CA C 64.102 0.25 1 977 119 119 PRO CB C 31.554 0.25 1 978 120 120 ARG H H 7.936 0.01 1 979 120 120 ARG HA H 4.170 0.05 1 980 120 120 ARG HB2 H 1.725 0.05 2 981 120 120 ARG HB3 H 2.020 0.05 2 982 120 120 ARG HD2 H 3.314 0.05 2 983 120 120 ARG C C 179.928 0.11 1 984 120 120 ARG CA C 59.409 0.25 1 985 120 120 ARG CB C 31.500 0.25 1 986 120 120 ARG CD C 43.023 0.30 1 987 120 120 ARG CG C 29.096 0.30 1 988 120 120 ARG N N 120.670 0.14 1 989 121 121 GLU H H 8.022 0.01 1 990 121 121 GLU HA H 4.164 0.05 1 991 121 121 GLU HB2 H 2.036 0.05 2 992 121 121 GLU HG2 H 2.417 0.05 2 993 121 121 GLU HG3 H 2.256 0.05 2 994 121 121 GLU C C 179.195 0.11 1 995 121 121 GLU CA C 59.149 0.25 1 996 121 121 GLU CB C 29.856 0.25 1 997 121 121 GLU CG C 36.494 0.30 1 998 121 121 GLU N N 121.269 0.14 1 999 122 122 GLY H H 8.536 0.01 1 1000 122 122 GLY HA2 H 3.963 0.05 2 1001 122 122 GLY C C 176.579 0.11 1 1002 122 122 GLY CA C 47.798 0.25 1 1003 122 122 GLY N N 107.584 0.14 1 1004 123 123 LEU H H 8.259 0.01 1 1005 123 123 LEU HA H 4.429 0.05 1 1006 123 123 LEU HB2 H 2.060 0.05 2 1007 123 123 LEU HB3 H 1.803 0.05 2 1008 123 123 LEU HD1 H 1.005 0.05 2 1009 123 123 LEU HD2 H 1.005 0.05 2 1010 123 123 LEU HG H 2.060 0.05 1 1011 123 123 LEU C C 179.923 0.11 1 1012 123 123 LEU CA C 59.015 0.25 1 1013 123 123 LEU CB C 42.155 0.25 1 1014 123 123 LEU CD1 C 25.564 0.30 2 1015 123 123 LEU CD2 C 24.361 0.30 2 1016 123 123 LEU CG C 27.942 0.30 1 1017 123 123 LEU N N 122.044 0.14 1 1018 124 124 GLU H H 7.658 0.01 1 1019 124 124 GLU HA H 4.205 0.05 1 1020 124 124 GLU HB2 H 2.237 0.05 2 1021 124 124 GLU HG2 H 2.376 0.05 2 1022 124 124 GLU C C 179.802 0.11 1 1023 124 124 GLU CA C 59.814 0.25 1 1024 124 124 GLU CB C 29.814 0.25 1 1025 124 124 GLU CG C 36.032 0.30 1 1026 124 124 GLU N N 119.825 0.14 1 1027 125 125 LYS H H 8.765 0.01 1 1028 125 125 LYS HA H 4.351 0.05 1 1029 125 125 LYS HB2 H 1.990 0.05 2 1030 125 125 LYS HB3 H 1.710 0.05 2 1031 125 125 LYS HD2 H 1.982 0.05 2 1032 125 125 LYS HG2 H 1.612 0.05 2 1033 125 125 LYS C C 177.174 0.11 1 1034 125 125 LYS CA C 57.174 0.25 1 1035 125 125 LYS CB C 32.589 0.25 1 1036 125 125 LYS CD C 29.309 0.30 1 1037 125 125 LYS CE C 42.702 0.30 1 1038 125 125 LYS CG C 25.646 0.30 1 1039 125 125 LYS N N 116.939 0.14 1 1040 126 126 GLY H H 7.959 0.01 1 1041 126 126 GLY HA2 H 3.891 0.05 2 1042 126 126 GLY HA3 H 3.460 0.05 2 1043 126 126 GLY C C 174.136 0.11 1 1044 126 126 GLY CA C 46.727 0.25 1 1045 126 126 GLY N N 108.119 0.14 1 1046 127 127 HIS H H 9.031 0.01 1 1047 127 127 HIS HA H 5.537 0.05 1 1048 127 127 HIS HB2 H 3.135 0.05 2 1049 127 127 HIS HD2 H 6.970 0.05 1 1050 127 127 HIS C C 172.325 0.11 1 1051 127 127 HIS CA C 55.548 0.25 1 1052 127 127 HIS CB C 30.578 0.25 1 1053 127 127 HIS N N 120.649 0.14 1 1054 128 128 LEU H H 9.599 0.01 1 1055 128 128 LEU HA H 5.028 0.05 1 1056 128 128 LEU HB2 H 1.828 0.05 2 1057 128 128 LEU HB3 H 1.543 0.05 2 1058 128 128 LEU HD1 H 1.040 0.05 2 1059 128 128 LEU HD2 H 0.859 0.05 2 1060 128 128 LEU HG H 1.670 0.05 1 1061 128 128 LEU C C 174.827 0.11 1 1062 128 128 LEU CA C 54.208 0.25 1 1063 128 128 LEU CB C 46.030 0.25 1 1064 128 128 LEU CD1 C 25.348 0.30 2 1065 128 128 LEU CD2 C 24.909 0.30 2 1066 128 128 LEU CG C 27.942 0.30 1 1067 128 128 LEU N N 129.433 0.14 1 1068 129 129 SER H H 9.015 0.01 1 1069 129 129 SER HA H 5.280 0.05 1 1070 129 129 SER HB2 H 3.681 0.05 2 1071 129 129 SER HB3 H 3.833 0.05 2 1072 129 129 SER C C 174.606 0.11 1 1073 129 129 SER CA C 56.291 0.25 1 1074 129 129 SER CB C 63.733 0.25 1 1075 129 129 SER N N 121.827 0.14 1 1076 130 130 PHE H H 8.362 0.01 1 1077 130 130 PHE HA H 5.508 0.05 1 1078 130 130 PHE HB2 H 3.545 0.05 2 1079 130 130 PHE HB3 H 3.355 0.05 2 1080 130 130 PHE HD1 H 6.680 0.05 3 1081 130 130 PHE HE1 H 6.960 0.05 3 1082 130 130 PHE HE2 H 6.860 0.05 3 1083 130 130 PHE C C 171.457 0.11 1 1084 130 130 PHE CA C 56.338 0.25 1 1085 130 130 PHE CB C 42.161 0.25 1 1086 130 130 PHE N N 121.807 0.14 1 1087 131 131 ALA H H 8.967 0.01 1 1088 131 131 ALA HA H 5.483 0.05 1 1089 131 131 ALA HB H 1.400 0.05 1 1090 131 131 ALA C C 177.033 0.11 1 1091 131 131 ALA CA C 49.465 0.25 1 1092 131 131 ALA CB C 22.047 0.25 1 1093 131 131 ALA N N 121.531 0.14 1 1094 132 132 LEU H H 8.798 0.01 1 1095 132 132 LEU HA H 5.027 0.05 1 1096 132 132 LEU HB2 H 1.321 0.05 2 1097 132 132 LEU HD1 H 0.028 0.05 2 1098 132 132 LEU HD2 H -0.300 0.05 2 1099 132 132 LEU C C 176.438 0.11 1 1100 132 132 LEU CA C 53.102 0.25 1 1101 132 132 LEU CB C 42.568 0.25 1 1102 132 132 LEU N N 119.350 0.14 1 1103 133 133 ASP H H 8.777 0.01 1 1104 133 133 ASP HA H 5.152 0.05 1 1105 133 133 ASP HB2 H 2.878 0.05 2 1106 133 133 ASP HB3 H 2.606 0.05 2 1107 133 133 ASP C C 175.639 0.11 1 1108 133 133 ASP CA C 53.619 0.25 1 1109 133 133 ASP CB C 42.134 0.25 1 1110 133 133 ASP N N 121.596 0.14 1 1111 134 134 GLY H H 8.132 0.01 1 1112 134 134 GLY HA2 H 4.904 0.05 2 1113 134 134 GLY HA3 H 4.614 0.05 2 1114 134 134 GLY C C 174.308 0.11 1 1115 134 134 GLY CA C 45.822 0.25 1 1116 134 134 GLY N N 114.723 0.14 1 1117 135 135 GLU H H 8.612 0.01 1 1118 135 135 GLU HA H 4.270 0.05 1 1119 135 135 GLU HB2 H 2.178 0.05 2 1120 135 135 GLU HG2 H 2.388 0.05 2 1121 135 135 GLU C C 178.614 0.11 1 1122 135 135 GLU CA C 58.271 0.25 1 1123 135 135 GLU CB C 29.937 0.25 1 1124 135 135 GLU CG C 36.704 0.30 1 1125 135 135 GLU N N 121.888 0.14 1 1126 136 136 LYS H H 8.908 0.01 1 1127 136 136 LYS HA H 4.367 0.05 1 1128 136 136 LYS HB2 H 1.568 0.05 2 1129 136 136 LYS HB3 H 1.300 0.05 2 1130 136 136 LYS HG2 H 1.014 0.05 2 1131 136 136 LYS C C 177.373 0.11 1 1132 136 136 LYS CA C 57.188 0.25 1 1133 136 136 LYS CB C 33.977 0.25 1 1134 136 136 LYS CD C 28.216 0.30 1 1135 136 136 LYS CG C 25.533 0.30 1 1136 136 136 LYS N N 116.330 0.14 1 1137 137 137 LEU H H 7.873 0.01 1 1138 137 137 LEU HA H 4.733 0.05 1 1139 137 137 LEU HB2 H 1.510 0.05 2 1140 137 137 LEU HD1 H 1.081 0.05 2 1141 137 137 LEU HD2 H 0.674 0.05 2 1142 137 137 LEU C C 174.146 0.11 1 1143 137 137 LEU CA C 54.182 0.25 1 1144 137 137 LEU CB C 42.702 0.25 1 1145 137 137 LEU CD1 C 25.436 0.30 2 1146 137 137 LEU CD2 C 22.203 0.30 2 1147 137 137 LEU CG C 25.436 0.30 1 1148 137 137 LEU N N 117.611 0.14 1 1149 138 138 SER H H 7.345 0.01 1 1150 138 138 SER HA H 5.020 0.05 1 1151 138 138 SER HB2 H 3.964 0.05 2 1152 138 138 SER C C 175.405 0.11 1 1153 138 138 SER CA C 58.282 0.25 1 1154 138 138 SER CB C 65.071 0.25 1 1155 138 138 SER N N 111.020 0.14 1 1156 139 139 GLY H H 8.340 0.01 1 1157 139 139 GLY HA2 H 4.025 0.05 2 1158 139 139 GLY C C 172.579 0.11 1 1159 139 139 GLY CA C 44.119 0.25 1 1160 139 139 GLY N N 106.789 0.14 1 1161 140 140 ARG H H 8.863 0.01 1 1162 140 140 ARG HA H 5.130 0.05 1 1163 140 140 ARG HB2 H 1.530 0.05 2 1164 140 140 ARG HB3 H 1.200 0.05 2 1165 140 140 ARG HG2 H 1.530 0.05 2 1166 140 140 ARG C C 177.031 0.11 1 1167 140 140 ARG CA C 55.874 0.25 1 1168 140 140 ARG CB C 30.566 0.25 1 1169 140 140 ARG N N 117.291 0.14 1 1170 141 141 TRP H H 8.944 0.01 1 1171 141 141 TRP HA H 4.497 0.05 1 1172 141 141 TRP HB2 H 3.080 0.05 2 1173 141 141 TRP HD1 H 7.000 0.05 1 1174 141 141 TRP HE3 H 7.000 0.05 1 1175 141 141 TRP HZ2 H 6.700 0.05 1 1176 141 141 TRP C C 173.811 0.11 1 1177 141 141 TRP CA C 57.767 0.25 1 1178 141 141 TRP CB C 35.087 0.25 1 1179 141 141 TRP N N 122.429 0.14 1 1180 142 142 HIS H H 9.192 0.01 1 1181 142 142 HIS HA H 5.450 0.05 1 1182 142 142 HIS HB2 H 2.837 0.05 2 1183 142 142 HIS HD2 H 6.990 0.05 1 1184 142 142 HIS C C 174.415 0.11 1 1185 142 142 HIS CA C 54.715 0.25 1 1186 142 142 HIS CB C 34.549 0.25 1 1187 142 142 HIS N N 116.496 0.14 1 1188 143 143 LEU H H 9.151 0.01 1 1189 143 143 LEU HA H 5.441 0.05 1 1190 143 143 LEU HB2 H 1.381 0.05 2 1191 143 143 LEU HD1 H -0.468 0.05 2 1192 143 143 LEU HD2 H -0.717 0.05 2 1193 143 143 LEU C C 176.360 0.11 1 1194 143 143 LEU CA C 53.936 0.25 1 1195 143 143 LEU CB C 44.313 0.25 1 1196 143 143 LEU CD1 C 23.296 0.30 2 1197 143 143 LEU CD2 C 23.296 0.30 2 1198 143 143 LEU N N 124.715 0.14 1 1199 144 144 ILE H H 9.145 0.01 1 1200 144 144 ILE HA H 4.775 0.05 1 1201 144 144 ILE HB H 1.431 0.05 1 1202 144 144 ILE HD1 H 0.601 0.05 1 1203 144 144 ILE HG12 H 1.392 0.05 2 1204 144 144 ILE HG2 H 0.777 0.05 1 1205 144 144 ILE C C 174.290 0.11 1 1206 144 144 ILE CA C 59.133 0.25 1 1207 144 144 ILE CB C 41.882 0.25 1 1208 144 144 ILE CD1 C 13.456 0.30 1 1209 144 144 ILE CG1 C 27.930 0.30 1 1210 144 144 ILE CG2 C 17.283 0.30 1 1211 144 144 ILE N N 123.714 0.14 1 1212 145 145 ARG H H 8.574 0.01 1 1213 145 145 ARG HA H 4.466 0.05 1 1214 145 145 ARG HD2 H 3.160 0.05 2 1215 145 145 ARG HG2 H 1.296 0.05 2 1216 145 145 ARG HG3 H 1.600 0.05 2 1217 145 145 ARG C C 176.224 0.11 1 1218 145 145 ARG CA C 56.348 0.25 1 1219 145 145 ARG CB C 29.982 0.25 1 1220 145 145 ARG N N 131.499 0.14 1 1221 146 146 THR H H 8.883 0.01 1 1222 146 146 THR HA H 4.193 0.05 1 1223 146 146 THR HB H 3.961 0.05 1 1224 146 146 THR HG2 H 0.941 0.05 1 1225 146 146 THR C C 174.380 0.11 1 1226 146 146 THR CA C 62.106 0.25 1 1227 146 146 THR CB C 69.968 0.25 1 1228 146 146 THR CG2 C 21.559 0.30 1 1229 146 146 THR N N 119.151 0.14 1 1230 147 147 ASN H H 8.046 0.01 1 1231 147 147 ASN HA H 4.767 0.05 1 1232 147 147 ASN HB2 H 2.750 0.05 2 1233 147 147 ASN HD21 H 7.487 0.05 2 1234 147 147 ASN HD22 H 6.855 0.05 2 1235 147 147 ASN C C 174.230 0.11 1 1236 147 147 ASN CA C 53.635 0.25 1 1237 147 147 ASN CB C 40.242 0.25 1 1238 147 147 ASN N N 119.704 0.14 1 1239 147 147 ASN ND2 N 112.420 0.14 1 1240 148 148 LEU H H 8.065 0.01 1 1241 148 148 LEU HB2 H 1.570 0.05 2 1242 148 148 LEU HB3 H 1.550 0.05 2 1243 148 148 LEU HD1 H 0.865 0.05 2 1244 148 148 LEU C C 176.299 0.11 1 1245 148 148 LEU CA C 55.174 0.25 1 1246 148 148 LEU CB C 41.188 0.25 1 1247 148 148 LEU N N 121.415 0.14 1 1248 149 149 ARG HA H 4.338 0.05 1 1249 149 149 ARG HB2 H 1.831 0.05 2 1250 149 149 ARG HB3 H 1.685 0.05 2 1251 149 149 ARG HD2 H 3.196 0.05 2 1252 149 149 ARG HG2 H 1.575 0.05 2 1253 149 149 ARG C C 176.424 0.11 1 1254 149 149 ARG CA C 56.285 0.25 1 1255 149 149 ARG CB C 31.477 0.25 1 1256 149 149 ARG CD C 43.567 0.30 1 1257 149 149 ARG CG C 27.265 0.30 1 1258 150 150 GLY H H 8.629 0.01 1 1259 150 150 GLY HA2 H 4.096 0.05 2 1260 150 150 GLY HA3 H 3.833 0.05 2 1261 150 150 GLY C C 174.330 0.11 1 1262 150 150 GLY CA C 45.537 0.25 1 1263 150 150 GLY N N 111.337 0.14 1 1264 151 151 LYS H H 8.335 0.01 1 1265 151 151 LYS HA H 4.144 0.05 1 1266 151 151 LYS HB2 H 1.869 0.05 2 1267 151 151 LYS HB3 H 1.713 0.05 2 1268 151 151 LYS HD2 H 1.730 0.05 2 1269 151 151 LYS HG2 H 1.402 0.05 2 1270 151 151 LYS C C 176.816 0.11 1 1271 151 151 LYS CA C 57.475 0.25 1 1272 151 151 LYS CB C 32.883 0.25 1 1273 151 151 LYS CD C 29.150 0.30 1 1274 151 151 LYS CG C 25.191 0.30 1 1275 151 151 LYS N N 122.342 0.14 1 1276 152 152 GLN H H 8.418 0.01 1 1277 152 152 GLN HA H 4.326 0.05 1 1278 152 152 GLN HB2 H 2.210 0.05 2 1279 152 152 GLN HB3 H 2.161 0.05 2 1280 152 152 GLN HG2 H 2.354 0.05 2 1281 152 152 GLN C C 175.569 0.11 1 1282 152 152 GLN CA C 56.726 0.25 1 1283 152 152 GLN CB C 28.901 0.25 1 1284 152 152 GLN CG C 34.647 0.30 1 1285 152 152 GLN N N 117.930 0.14 1 1286 153 153 SER H H 8.504 0.01 1 1287 153 153 SER HA H 4.556 0.05 1 1288 153 153 SER HB2 H 4.070 0.05 2 1289 153 153 SER HB3 H 3.996 0.05 2 1290 153 153 SER C C 173.775 0.11 1 1291 153 153 SER CA C 59.249 0.25 1 1292 153 153 SER CB C 64.295 0.25 1 1293 153 153 SER N N 115.680 0.14 1 1294 154 154 GLN H H 8.574 0.01 1 1295 154 154 GLN HA H 4.822 0.05 1 1296 154 154 GLN HB2 H 2.007 0.05 2 1297 154 154 GLN HB3 H 1.640 0.05 2 1298 154 154 GLN HE21 H 7.409 0.05 2 1299 154 154 GLN HE22 H 6.771 0.05 2 1300 154 154 GLN HG2 H 2.432 0.05 2 1301 154 154 GLN HG3 H 2.200 0.05 2 1302 154 154 GLN C C 174.446 0.11 1 1303 154 154 GLN CA C 56.656 0.25 1 1304 154 154 GLN CB C 29.499 0.25 1 1305 154 154 GLN CG C 34.650 0.30 1 1306 154 154 GLN N N 122.170 0.14 1 1307 154 154 GLN NE2 N 111.805 0.14 1 1308 155 155 TRP H H 9.219 0.01 1 1309 155 155 TRP HA H 5.526 0.05 1 1310 155 155 TRP HB2 H 3.237 0.05 2 1311 155 155 TRP HB3 H 3.018 0.05 2 1312 155 155 TRP HE3 H 7.180 0.05 1 1313 155 155 TRP HH2 H 7.000 0.05 1 1314 155 155 TRP HZ3 H 6.960 0.05 1 1315 155 155 TRP C C 175.095 0.11 1 1316 155 155 TRP CA C 55.275 0.25 1 1317 155 155 TRP CB C 31.490 0.25 1 1318 155 155 TRP N N 124.911 0.14 1 1319 156 156 PHE H H 9.539 0.01 1 1320 156 156 PHE HA H 5.537 0.05 1 1321 156 156 PHE HB2 H 2.715 0.05 2 1322 156 156 PHE HD1 H 6.938 0.05 3 1323 156 156 PHE C C 173.967 0.11 1 1324 156 156 PHE CA C 56.642 0.25 1 1325 156 156 PHE CB C 42.588 0.25 1 1326 156 156 PHE N N 116.780 0.14 1 1327 157 157 LEU H H 9.481 0.01 1 1328 157 157 LEU HA H 5.171 0.05 1 1329 157 157 LEU HB2 H 0.718 0.05 2 1330 157 157 LEU HD1 H -0.058 0.05 2 1331 157 157 LEU HD2 H 0.900 0.05 2 1332 157 157 LEU C C 176.292 0.11 1 1333 157 157 LEU CA C 54.455 0.25 1 1334 157 157 LEU CB C 43.600 0.25 1 1335 157 157 LEU CD1 C 22.476 0.30 2 1336 157 157 LEU N N 124.633 0.14 1 1337 158 158 VAL H H 9.473 0.01 1 1338 158 158 VAL HA H 4.730 0.05 1 1339 158 158 VAL HB H 1.870 0.05 1 1340 158 158 VAL HG1 H 0.938 0.05 2 1341 158 158 VAL HG2 H 0.372 0.05 2 1342 158 158 VAL C C 173.244 0.11 1 1343 158 158 VAL CA C 59.620 0.25 1 1344 158 158 VAL CB C 35.398 0.25 1 1345 158 158 VAL CG1 C 21.109 0.30 2 1346 158 158 VAL N N 129.111 0.14 1 1347 159 159 LYS H H 9.227 0.01 1 1348 159 159 LYS HA H 5.430 0.05 1 1349 159 159 LYS C C 175.527 0.11 1 1350 159 159 LYS CA C 54.480 0.25 1 1351 159 159 LYS CB C 30.403 0.25 1 1352 159 159 LYS N N 131.301 0.14 1 1353 160 160 ALA H H 7.799 0.01 1 1354 160 160 ALA HA H 4.398 0.05 1 1355 160 160 ALA HB H 0.912 0.05 1 1356 160 160 ALA C C 178.268 0.11 1 1357 160 160 ALA CA C 50.493 0.25 1 1358 160 160 ALA CB C 20.247 0.25 1 1359 160 160 ALA N N 126.570 0.14 1 1360 161 161 LYS H H 8.674 0.01 1 1361 161 161 LYS HA H 4.340 0.05 1 1362 161 161 LYS HB2 H 2.040 0.05 2 1363 161 161 LYS HD2 H 1.930 0.05 2 1364 161 161 LYS C C 174.582 0.11 1 1365 161 161 LYS CA C 56.931 0.25 1 1366 161 161 LYS CB C 30.555 0.25 1 1367 161 161 LYS N N 122.833 0.14 1 1368 162 162 ASP H H 8.209 0.01 1 1369 162 162 ASP HA H 4.460 0.05 1 1370 162 162 ASP HB2 H 2.590 0.05 2 1371 162 162 ASP N N 116.770 0.14 1 1372 163 163 GLY H H 7.741 0.01 1 1373 165 165 ALA HA H 4.409 0.05 1 1374 165 165 ALA HB H 1.490 0.05 1 1375 165 165 ALA C C 177.784 0.11 1 1376 165 165 ALA CA C 51.930 0.25 1 1377 165 165 ALA CB C 19.505 0.25 1 1378 166 166 ARG H H 8.159 0.01 1 1379 166 166 ARG HA H 4.534 0.05 1 1380 166 166 ARG HB2 H 1.870 0.05 2 1381 166 166 ARG HG2 H 1.576 0.05 2 1382 166 166 ARG CA C 54.450 0.25 1 1383 166 166 ARG CB C 32.690 0.25 1 1384 166 166 ARG N N 120.304 0.14 1 1385 169 169 ASP HA H 5.450 0.05 1 1386 169 169 ASP HB2 H 2.881 0.05 2 1387 169 169 ASP C C 175.221 0.11 1 1388 169 169 ASP CA C 52.512 0.25 1 1389 169 169 ASP CB C 43.586 0.25 1 1390 170 170 ARG H H 9.098 0.01 1 1391 170 170 ARG CA C 56.423 0.25 1 1392 170 170 ARG CB C 29.703 0.25 1 1393 170 170 ARG N N 124.771 0.14 1 1394 171 171 PHE H H 7.642 0.01 1 1395 171 171 PHE HD1 H 7.101 0.05 3 1396 171 171 PHE C C 180.394 0.11 1 1397 171 171 PHE CA C 58.603 0.25 1 1398 171 171 PHE CB C 38.660 0.25 1 1399 171 171 PHE N N 124.753 0.14 1 1400 172 172 ASP H H 8.543 0.01 1 1401 173 173 VAL C C 176.523 0.11 1 1402 174 174 LEU H H 8.383 0.01 1 1403 174 174 LEU N N 122.289 0.14 1 1404 175 175 LYS HA H 4.398 0.05 1 1405 175 175 LYS HB2 H 1.855 0.05 2 1406 175 175 LYS HB3 H 1.730 0.05 2 1407 175 175 LYS HD2 H 1.741 0.05 2 1408 175 175 LYS HE2 H 3.092 0.05 2 1409 175 175 LYS HG2 H 1.364 0.05 2 1410 175 175 LYS C C 176.697 0.11 1 1411 175 175 LYS CA C 56.759 0.25 1 1412 175 175 LYS CB C 32.569 0.25 1 1413 175 175 LYS CD C 29.281 0.30 1 1414 175 175 LYS CE C 43.533 0.30 1 1415 175 175 LYS CG C 25.127 0.30 1 1416 176 176 GLU H H 8.140 0.01 1 1417 176 176 GLU HA H 4.302 0.05 1 1418 176 176 GLU HB2 H 2.127 0.05 2 1419 176 176 GLU HB3 H 1.836 0.05 2 1420 176 176 GLU HG2 H 2.241 0.05 2 1421 176 176 GLU C C 175.684 0.11 1 1422 176 176 GLU CA C 57.025 0.25 1 1423 176 176 GLU CB C 30.765 0.25 1 1424 176 176 GLU CG C 36.463 0.30 1 1425 176 176 GLU N N 121.697 0.14 1 1426 177 177 ARG H H 7.959 0.01 1 1427 177 177 ARG HA H 4.228 0.05 1 1428 177 177 ARG HB2 H 1.782 0.05 2 1429 177 177 ARG HD2 H 3.235 0.05 2 1430 177 177 ARG HG2 H 1.644 0.05 2 1431 177 177 ARG C C 181.008 0.11 1 1432 177 177 ARG CA C 56.798 0.25 1 1433 177 177 ARG CB C 30.461 0.25 1 1434 177 177 ARG N N 126.421 0.14 1 stop_ save_