data_26748 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR study of Met-1 Human Angiogenin - 1H, 13C, 15N backbone and side chain resonance assignment ; _BMRB_accession_number 26748 _BMRB_flat_file_name bmr26748.str _Entry_type original _Submission_date 2016-02-19 _Accession_date 2016-02-19 _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 Tsika Aikaterini C. . 2 Chatzileontiadou Dimitra S.M . 3 Leonidas Demetres D. . 4 Spyroulias Georgios A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 624 "13C chemical shifts" 469 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-29 original BMRB . stop_ _Original_release_date 2016-09-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR study of Met-1 human Angiogenin: (1)H, (13)C, (15)N backbone and side-chain resonance assignment ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27624767 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tsika Aikaterini C. . 2 Chatzileontiadou Dimitra S.M. . 3 Leonidas Dimitra D. . 4 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 379 _Page_last 383 _Year 2016 _Details . loop_ _Keyword Angiogenin 'NMR spectroscopy' 'RNase superfamily' angiogenesis 'recombinant protein expression' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Met-1 Human Ang' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Met-1 Human Ang' $Met-1_Human_Ang stop_ _System_molecular_weight 14274.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function hydrolase 'pancreatic ribonuclease' 'stimulator of angiogenesis' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Met-1_Human_Ang _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Met-1_Human_Ang _Molecular_mass 14274.1 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function hydrolase 'pancreatic ribonuclease' 'stimulator of angiogenesis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MQDNSRYTHFLTQHYDAKPQ GRDDRYCESIMRRRGLTSPC KDINTFIHGNKRSIKAICEN KNGNPHRENLRISKSSFQVT TCKLHGGSPWPPCQYRATAG FRNVVVACENGLPVHLDQSI FRRP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLN 3 2 ASP 4 3 ASN 5 4 SER 6 5 ARG 7 6 TYR 8 7 THR 9 8 HIS 10 9 PHE 11 10 LEU 12 11 THR 13 12 GLN 14 13 HIS 15 14 TYR 16 15 ASP 17 16 ALA 18 17 LYS 19 18 PRO 20 19 GLN 21 20 GLY 22 21 ARG 23 22 ASP 24 23 ASP 25 24 ARG 26 25 TYR 27 26 CYS 28 27 GLU 29 28 SER 30 29 ILE 31 30 MET 32 31 ARG 33 32 ARG 34 33 ARG 35 34 GLY 36 35 LEU 37 36 THR 38 37 SER 39 38 PRO 40 39 CYS 41 40 LYS 42 41 ASP 43 42 ILE 44 43 ASN 45 44 THR 46 45 PHE 47 46 ILE 48 47 HIS 49 48 GLY 50 49 ASN 51 50 LYS 52 51 ARG 53 52 SER 54 53 ILE 55 54 LYS 56 55 ALA 57 56 ILE 58 57 CYS 59 58 GLU 60 59 ASN 61 60 LYS 62 61 ASN 63 62 GLY 64 63 ASN 65 64 PRO 66 65 HIS 67 66 ARG 68 67 GLU 69 68 ASN 70 69 LEU 71 70 ARG 72 71 ILE 73 72 SER 74 73 LYS 75 74 SER 76 75 SER 77 76 PHE 78 77 GLN 79 78 VAL 80 79 THR 81 80 THR 82 81 CYS 83 82 LYS 84 83 LEU 85 84 HIS 86 85 GLY 87 86 GLY 88 87 SER 89 88 PRO 90 89 TRP 91 90 PRO 92 91 PRO 93 92 CYS 94 93 GLN 95 94 TYR 96 95 ARG 97 96 ALA 98 97 THR 99 98 ALA 100 99 GLY 101 100 PHE 102 101 ARG 103 102 ASN 104 103 VAL 105 104 VAL 106 105 VAL 107 106 ALA 108 107 CYS 109 108 GLU 110 109 ASN 111 110 GLY 112 111 LEU 113 112 PRO 114 113 VAL 115 114 HIS 116 115 LEU 117 116 ASP 118 117 GLN 119 118 SER 120 119 ILE 121 120 PHE 122 121 ARG 123 122 ARG 124 123 PRO 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 _Gene_mnemonic $Met-1_Human_Ang Human 9606 Eukaryota Metazoa Homo sapiens ANG stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Met-1_Human_Ang 'recombinant technology' . Escherichia coli BL21 DE3 pET28a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; Sodium Acetate 50mM EDTA 0.2mM pH 5 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Met-1_Human_Ang 0.6 mM '[U-99% 15N]' 'Sodium Acetate' 50 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; Sodium Acetate 50mM EDTA 0.2mM pH 5 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Met-1_Human_Ang 0.6 mM '[U-99% 13C; U-99% 15N]' 'Sodium Acetate' 50 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; Reverse Labeling [U-14N]Asn-Lys Sodium Acetate 50mM EDTA 0.2mM pH 5 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Met-1_Human_Ang 0.3 mM '[U-99% 15N]' 'Sodium Acetate' 50 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '3.2 PI6' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'ROCHUS KELLER' . . 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 HD-III HD' _Field_strength 700 _Details 'TCI 5mm cryoprobe, 4 channels' 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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_H(CA)CO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CA)CO' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNHA' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D H(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Met-1 Human Ang' _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 1 2 GLN HA H 4.325 0.020 1 2 1 2 GLN HB2 H 2.003 0.020 2 3 1 2 GLN HB3 H 2.079 0.020 2 4 1 2 GLN HG2 H 2.365 0.020 2 5 1 2 GLN HG3 H 2.377 0.020 2 6 1 2 GLN C C 174.981 0.3 1 7 1 2 GLN CA C 55.884 0.3 1 8 1 2 GLN CB C 28.955 0.3 1 9 1 2 GLN CG C 33.637 0.3 1 10 2 3 ASP H H 8.602 0.020 1 11 2 3 ASP HA H 4.646 0.020 1 12 2 3 ASP HB2 H 2.710 0.020 2 13 2 3 ASP HB3 H 2.769 0.020 2 14 2 3 ASP C C 176.098 0.3 1 15 2 3 ASP CA C 54.084 0.3 1 16 2 3 ASP CB C 41.363 0.3 1 17 2 3 ASP N N 122.948 0.3 1 18 3 4 ASN H H 8.677 0.020 1 19 3 4 ASN HA H 4.997 0.020 1 20 3 4 ASN HB2 H 2.970 0.020 2 21 3 4 ASN HB3 H 2.909 0.020 2 22 3 4 ASN HD21 H 7.612 0.020 1 23 3 4 ASN HD22 H 6.904 0.020 1 24 3 4 ASN C C 176.426 0.3 1 25 3 4 ASN CA C 52.922 0.3 1 26 3 4 ASN CB C 38.806 0.3 1 27 3 4 ASN N N 121.982 0.3 1 28 3 4 ASN ND2 N 112.431 0.3 1 29 4 5 SER H H 8.658 0.020 1 30 4 5 SER HA H 4.303 0.020 1 31 4 5 SER HB2 H 4.020 0.020 2 32 4 5 SER HB3 H 3.998 0.020 2 33 4 5 SER C C 176.360 0.3 1 34 4 5 SER CA C 61.052 0.3 1 35 4 5 SER CB C 63.337 0.3 1 36 4 5 SER N N 117.911 0.3 1 37 5 6 ARG H H 8.698 0.020 1 38 5 6 ARG HA H 4.237 0.020 1 39 5 6 ARG HB2 H 1.994 0.020 2 40 5 6 ARG HB3 H 2.016 0.020 2 41 5 6 ARG HG2 H 1.758 0.020 1 42 5 6 ARG HG3 H 1.758 0.020 1 43 5 6 ARG HD2 H 3.252 0.020 2 44 5 6 ARG HD3 H 3.312 0.020 2 45 5 6 ARG C C 179.942 0.3 1 46 5 6 ARG CA C 60.426 0.3 1 47 5 6 ARG CB C 29.354 0.3 1 48 5 6 ARG CG C 28.022 0.3 1 49 5 6 ARG CD C 43.354 0.3 1 50 5 6 ARG N N 122.785 0.3 1 51 6 7 TYR H H 8.560 0.020 1 52 6 7 TYR HA H 5.112 0.020 1 53 6 7 TYR HB2 H 3.100 0.020 2 54 6 7 TYR HB3 H 3.009 0.020 2 55 6 7 TYR HD1 H 7.435 0.020 3 56 6 7 TYR HD2 H 7.461 0.020 3 57 6 7 TYR HE1 H 6.608 0.020 1 58 6 7 TYR HE2 H 6.608 0.020 1 59 6 7 TYR C C 177.107 0.3 1 60 6 7 TYR CA C 59.078 0.3 1 61 6 7 TYR CB C 39.037 0.3 1 62 6 7 TYR CD1 C 133.901 0.3 1 63 6 7 TYR CD2 C 133.450 0.3 1 64 6 7 TYR CE1 C 117.107 0.3 1 65 6 7 TYR N N 123.896 0.3 1 66 7 8 THR H H 8.381 0.020 1 67 7 8 THR HA H 4.261 0.020 1 68 7 8 THR HB H 3.641 0.020 1 69 7 8 THR HG2 H 1.257 0.020 1 70 7 8 THR C C 177.461 0.3 1 71 7 8 THR CA C 66.917 0.3 1 72 7 8 THR CB C 67.833 0.3 1 73 7 8 THR CG2 C 22.084 0.3 1 74 7 8 THR N N 115.490 0.3 1 75 8 9 HIS H H 8.381 0.020 1 76 8 9 HIS HA H 4.492 0.020 1 77 8 9 HIS HB2 H 3.387 0.020 2 78 8 9 HIS HB3 H 3.346 0.020 2 79 8 9 HIS HD2 H 7.407 0.020 1 80 8 9 HIS C C 176.317 0.3 1 81 8 9 HIS CA C 59.011 0.3 1 82 8 9 HIS CB C 28.471 0.3 1 83 8 9 HIS CD2 C 119.853 0.3 1 84 8 9 HIS N N 120.767 0.3 1 85 9 10 PHE H H 8.194 0.020 1 86 9 10 PHE HA H 4.331 0.020 1 87 9 10 PHE HB2 H 3.126 0.020 2 88 9 10 PHE HB3 H 3.103 0.020 2 89 9 10 PHE HD1 H 6.885 0.020 3 90 9 10 PHE HD2 H 7.133 0.020 3 91 9 10 PHE HE1 H 6.797 0.020 1 92 9 10 PHE C C 177.052 0.3 1 93 9 10 PHE CA C 61.269 0.3 1 94 9 10 PHE CB C 38.620 0.3 1 95 9 10 PHE CD1 C 132.893 0.3 1 96 9 10 PHE CD2 C 131.867 0.3 1 97 9 10 PHE CE1 C 129.687 0.3 1 98 9 10 PHE N N 122.319 0.3 1 99 10 11 LEU H H 8.403 0.020 1 100 10 11 LEU HA H 3.885 0.020 1 101 10 11 LEU HB2 H 2.055 0.020 2 102 10 11 LEU HB3 H 1.469 0.020 2 103 10 11 LEU HG H 1.432 0.020 1 104 10 11 LEU HD1 H 0.586 0.020 1 105 10 11 LEU HD2 H 0.604 0.020 1 106 10 11 LEU C C 180.814 0.3 1 107 10 11 LEU CA C 57.357 0.3 1 108 10 11 LEU CB C 41.503 0.3 1 109 10 11 LEU CG C 25.602 0.3 1 110 10 11 LEU CD1 C 20.563 0.3 1 111 10 11 LEU CD2 C 20.723 0.3 1 112 10 11 LEU N N 120.078 0.3 1 113 11 12 THR H H 8.487 0.020 1 114 11 12 THR HA H 3.976 0.020 1 115 11 12 THR HB H 4.326 0.020 1 116 11 12 THR HG2 H 1.313 0.020 1 117 11 12 THR C C 175.989 0.3 1 118 11 12 THR CA C 66.337 0.3 1 119 11 12 THR CB C 68.641 0.3 1 120 11 12 THR CG2 C 22.131 0.3 1 121 11 12 THR N N 117.495 0.3 1 122 12 13 GLN H H 7.786 0.020 1 123 12 13 GLN HA H 3.855 0.020 1 124 12 13 GLN HB2 H 1.195 0.020 2 125 12 13 GLN HB3 H 1.399 0.020 2 126 12 13 GLN HG2 H 2.122 0.020 1 127 12 13 GLN HG3 H 2.122 0.020 1 128 12 13 GLN HE21 H 7.201 0.020 1 129 12 13 GLN HE22 H 6.878 0.020 1 130 12 13 GLN C C 175.690 0.3 1 131 12 13 GLN CA C 57.800 0.3 1 132 12 13 GLN CB C 29.240 0.3 1 133 12 13 GLN CG C 34.398 0.3 1 134 12 13 GLN N N 115.947 0.3 1 135 12 13 GLN NE2 N 112.883 0.3 1 136 13 14 HIS H H 7.920 0.020 1 137 13 14 HIS HA H 4.750 0.020 1 138 13 14 HIS HB2 H 2.871 0.020 1 139 13 14 HIS HB3 H 2.871 0.020 1 140 13 14 HIS HD2 H 6.722 0.020 1 141 13 14 HIS C C 173.782 0.3 1 142 13 14 HIS CA C 55.094 0.3 1 143 13 14 HIS CB C 29.307 0.3 1 144 13 14 HIS CD2 C 121.678 0.3 1 145 13 14 HIS N N 106.871 0.3 1 146 14 15 TYR H H 8.729 0.020 1 147 14 15 TYR HA H 5.682 0.020 1 148 14 15 TYR HB2 H 3.361 0.020 2 149 14 15 TYR HB3 H 2.597 0.020 2 150 14 15 TYR HD1 H 7.067 0.020 3 151 14 15 TYR HD2 H 7.063 0.020 3 152 14 15 TYR C C 174.409 0.3 1 153 14 15 TYR CA C 56.477 0.3 1 154 14 15 TYR CB C 41.836 0.3 1 155 14 15 TYR CD1 C 132.541 0.3 1 156 14 15 TYR CD2 C 133.776 0.3 1 157 14 15 TYR N N 121.284 0.3 1 158 15 16 ASP H H 8.241 0.020 1 159 15 16 ASP HA H 4.542 0.020 1 160 15 16 ASP HB2 H 2.303 0.020 2 161 15 16 ASP HB3 H 2.214 0.020 2 162 15 16 ASP C C 174.790 0.3 1 163 15 16 ASP CA C 53.474 0.3 1 164 15 16 ASP CB C 41.663 0.3 1 165 15 16 ASP N N 128.065 0.3 1 166 16 17 ALA H H 8.343 0.020 1 167 16 17 ALA HA H 3.987 0.020 1 168 16 17 ALA HB H 1.529 0.020 1 169 16 17 ALA C C 178.633 0.3 1 170 16 17 ALA CA C 56.639 0.3 1 171 16 17 ALA CB C 20.147 0.3 1 172 16 17 ALA N N 129.160 0.3 1 173 17 18 LYS H H 8.352 0.020 1 174 17 18 LYS HA H 4.309 0.020 1 175 17 18 LYS HB2 H 1.761 0.020 2 176 17 18 LYS HB3 H 1.815 0.020 2 177 17 18 LYS HG2 H 1.213 0.020 2 178 17 18 LYS HG3 H 1.266 0.020 2 179 17 18 LYS HD2 H 1.670 0.020 1 180 17 18 LYS HD3 H 1.670 0.020 1 181 17 18 LYS HE2 H 3.012 0.020 1 182 17 18 LYS HE3 H 3.012 0.020 1 183 17 18 LYS C C 172.392 0.3 1 184 17 18 LYS CA C 55.788 0.3 1 185 17 18 LYS CB C 33.524 0.3 1 186 17 18 LYS CG C 24.650 0.3 1 187 17 18 LYS CD C 28.917 0.3 1 188 17 18 LYS CE C 41.851 0.3 1 189 17 18 LYS N N 116.856 0.3 1 190 18 19 PRO HA H 4.530 0.020 1 191 18 19 PRO HB2 H 1.228 0.020 2 192 18 19 PRO HB3 H 1.274 0.020 2 193 18 19 PRO HG2 H 2.312 0.020 2 194 18 19 PRO HG3 H 2.153 0.020 2 195 18 19 PRO HD2 H 4.049 0.020 2 196 18 19 PRO HD3 H 4.194 0.020 2 197 18 19 PRO C C 177.598 0.3 1 198 18 19 PRO CA C 61.934 0.3 1 199 18 19 PRO CB C 30.761 0.3 1 200 18 19 PRO CG C 27.738 0.3 1 201 18 19 PRO CD C 50.999 0.3 1 202 19 20 GLN H H 8.170 0.020 1 203 19 20 GLN HA H 4.120 0.020 1 204 19 20 GLN HB2 H 1.981 0.020 1 205 19 20 GLN HB3 H 1.981 0.020 1 206 19 20 GLN HG2 H 2.362 0.020 2 207 19 20 GLN HG3 H 2.344 0.020 2 208 19 20 GLN HE21 H 7.505 0.020 1 209 19 20 GLN HE22 H 6.909 0.020 1 210 19 20 GLN C C 175.662 0.3 1 211 19 20 GLN CA C 55.884 0.3 1 212 19 20 GLN CB C 28.684 0.3 1 213 19 20 GLN CG C 33.855 0.3 1 214 19 20 GLN N N 121.248 0.3 1 215 20 21 GLY H H 7.475 0.020 1 216 20 21 GLY HA2 H 3.969 0.020 2 217 20 21 GLY HA3 H 3.617 0.020 2 218 20 21 GLY C C 171.219 0.3 1 219 20 21 GLY CA C 44.852 0.3 1 220 20 21 GLY N N 108.878 0.3 1 221 21 22 ARG H H 7.702 0.020 1 222 21 22 ARG HA H 3.935 0.020 1 223 21 22 ARG HB2 H 2.083 0.020 2 224 21 22 ARG HB3 H 1.282 0.020 2 225 21 22 ARG HG2 H 1.516 0.020 1 226 21 22 ARG HG3 H 1.516 0.020 1 227 21 22 ARG HD2 H 3.200 0.020 1 228 21 22 ARG HD3 H 3.200 0.020 1 229 21 22 ARG C C 173.673 0.3 1 230 21 22 ARG CA C 54.142 0.3 1 231 21 22 ARG CB C 29.252 0.3 1 232 21 22 ARG CG C 25.378 0.3 1 233 21 22 ARG CD C 42.608 0.3 1 234 21 22 ARG N N 114.122 0.3 1 235 22 23 ASP H H 7.716 0.020 1 236 22 23 ASP HA H 4.840 0.020 1 237 22 23 ASP HB2 H 3.296 0.020 2 238 22 23 ASP HB3 H 2.652 0.020 2 239 22 23 ASP C C 176.453 0.3 1 240 22 23 ASP CA C 51.988 0.3 1 241 22 23 ASP CB C 42.962 0.3 1 242 22 23 ASP N N 117.955 0.3 1 243 23 24 ASP H H 8.155 0.020 1 244 23 24 ASP HA H 4.070 0.020 1 245 23 24 ASP HB2 H 3.036 0.020 2 246 23 24 ASP HB3 H 2.718 0.020 2 247 23 24 ASP C C 178.115 0.3 1 248 23 24 ASP CA C 58.791 0.3 1 249 23 24 ASP CB C 39.677 0.3 1 250 23 24 ASP N N 121.580 0.3 1 251 24 25 ARG H H 7.736 0.020 1 252 24 25 ARG HA H 3.985 0.020 1 253 24 25 ARG HB2 H 1.893 0.020 2 254 24 25 ARG HB3 H 1.969 0.020 2 255 24 25 ARG HG2 H 1.752 0.020 2 256 24 25 ARG HG3 H 1.790 0.020 2 257 24 25 ARG HD2 H 3.253 0.020 2 258 24 25 ARG HD3 H 3.149 0.020 2 259 24 25 ARG C C 179.424 0.3 1 260 24 25 ARG CA C 59.105 0.3 1 261 24 25 ARG CB C 29.606 0.3 1 262 24 25 ARG CG C 27.286 0.3 1 263 24 25 ARG CD C 43.334 0.3 1 264 24 25 ARG N N 117.841 0.3 1 265 25 26 TYR H H 7.974 0.020 1 266 25 26 TYR HA H 4.242 0.020 1 267 25 26 TYR HB2 H 3.443 0.020 2 268 25 26 TYR HB3 H 3.074 0.020 2 269 25 26 TYR HD1 H 6.888 0.020 1 270 25 26 TYR HE1 H 6.729 0.020 1 271 25 26 TYR C C 177.052 0.3 1 272 25 26 TYR CA C 60.820 0.3 1 273 25 26 TYR CB C 36.810 0.3 1 274 25 26 TYR CD1 C 133.252 0.3 1 275 25 26 TYR CD2 C 31.680 0.3 1 276 25 26 TYR CE1 C 117.543 0.3 1 277 25 26 TYR N N 122.529 0.3 1 278 26 27 CYS H H 8.056 0.020 1 279 26 27 CYS HA H 3.856 0.020 1 280 26 27 CYS HB2 H 3.153 0.020 2 281 26 27 CYS HB3 H 2.294 0.020 2 282 26 27 CYS C C 175.908 0.3 1 283 26 27 CYS CA C 60.043 0.3 1 284 26 27 CYS CB C 39.898 0.3 1 285 26 27 CYS N N 115.854 0.3 1 286 27 28 GLU H H 8.373 0.020 1 287 27 28 GLU HA H 3.856 0.020 1 288 27 28 GLU HB2 H 2.197 0.020 2 289 27 28 GLU HB3 H 2.249 0.020 2 290 27 28 GLU HG2 H 2.644 0.020 2 291 27 28 GLU HG3 H 2.713 0.020 2 292 27 28 GLU C C 178.170 0.3 1 293 27 28 GLU CA C 60.231 0.3 1 294 27 28 GLU CB C 29.707 0.3 1 295 27 28 GLU CG C 37.414 0.3 1 296 27 28 GLU N N 117.550 0.3 1 297 28 29 SER H H 7.629 0.020 1 298 28 29 SER HA H 4.278 0.020 1 299 28 29 SER HB2 H 3.938 0.020 2 300 28 29 SER HB3 H 3.976 0.020 2 301 28 29 SER C C 177.025 0.3 1 302 28 29 SER CA C 60.558 0.3 1 303 28 29 SER CB C 63.274 0.3 1 304 28 29 SER N N 112.021 0.3 1 305 29 30 ILE H H 8.773 0.020 1 306 29 30 ILE HA H 3.792 0.020 1 307 29 30 ILE HB H 1.884 0.020 1 308 29 30 ILE HG12 H 0.647 0.020 2 309 29 30 ILE HG13 H 0.270 0.020 2 310 29 30 ILE HG2 H 0.601 0.020 1 311 29 30 ILE HD1 H 0.184 0.020 1 312 29 30 ILE C C 176.589 0.3 1 313 29 30 ILE CA C 63.201 0.3 1 314 29 30 ILE CB C 37.143 0.3 1 315 29 30 ILE CG1 C 29.524 0.3 1 316 29 30 ILE CG2 C 18.413 0.3 1 317 29 30 ILE CD1 C 13.886 0.3 1 318 29 30 ILE N N 123.143 0.3 1 319 30 31 MET H H 7.834 0.020 1 320 30 31 MET HA H 4.154 0.020 1 321 30 31 MET HB2 H 1.671 0.020 2 322 30 31 MET HB3 H 1.824 0.020 2 323 30 31 MET HG2 H 1.933 0.020 2 324 30 31 MET HG3 H 2.355 0.020 2 325 30 31 MET C C 178.306 0.3 1 326 30 31 MET CA C 57.985 0.3 1 327 30 31 MET CB C 29.072 0.3 1 328 30 31 MET CG C 32.679 0.3 1 329 30 31 MET CE C 18.517 0.3 1 330 30 31 MET N N 119.964 0.3 1 331 31 32 ARG H H 6.750 0.020 1 332 31 32 ARG HA H 4.243 0.020 1 333 31 32 ARG HB2 H 2.006 0.020 2 334 31 32 ARG HB3 H 1.948 0.020 2 335 31 32 ARG HG2 H 1.607 0.020 2 336 31 32 ARG HG3 H 1.595 0.020 2 337 31 32 ARG HD2 H 3.219 0.020 1 338 31 32 ARG HD3 H 3.219 0.020 1 339 31 32 ARG C C 180.650 0.3 1 340 31 32 ARG CA C 58.671 0.3 1 341 31 32 ARG CB C 29.823 0.3 1 342 31 32 ARG CG C 27.219 0.3 1 343 31 32 ARG CD C 43.359 0.3 1 344 31 32 ARG N N 116.968 0.3 1 345 32 33 ARG H H 8.464 0.020 1 346 32 33 ARG HA H 4.053 0.020 1 347 32 33 ARG HB2 H 1.905 0.020 2 348 32 33 ARG HB3 H 1.861 0.020 2 349 32 33 ARG HG2 H 3.229 0.020 2 350 32 33 ARG HG3 H 3.159 0.020 2 351 32 33 ARG HD2 H 3.316 0.020 1 352 32 33 ARG HD3 H 3.316 0.020 1 353 32 33 ARG C C 178.552 0.3 1 354 32 33 ARG CA C 59.311 0.3 1 355 32 33 ARG CB C 30.408 0.3 1 356 32 33 ARG CG C 27.301 0.3 1 357 32 33 ARG CD C 43.457 0.3 1 358 32 33 ARG N N 121.172 0.3 1 359 33 34 ARG H H 7.989 0.020 1 360 33 34 ARG HA H 4.374 0.020 1 361 33 34 ARG HB2 H 2.254 0.020 2 362 33 34 ARG HB3 H 1.783 0.020 2 363 33 34 ARG HG2 H 1.681 0.020 1 364 33 34 ARG HG3 H 1.681 0.020 1 365 33 34 ARG HD2 H 3.515 0.020 2 366 33 34 ARG HD3 H 3.478 0.020 2 367 33 34 ARG C C 175.826 0.3 1 368 33 34 ARG CA C 53.387 0.3 1 369 33 34 ARG CB C 28.234 0.3 1 370 33 34 ARG CG C 26.941 0.3 1 371 33 34 ARG CD C 41.649 0.3 1 372 33 34 ARG N N 113.452 0.3 1 373 34 35 GLY H H 7.637 0.020 1 374 34 35 GLY HA2 H 4.019 0.020 2 375 34 35 GLY HA3 H 3.961 0.020 2 376 34 35 GLY C C 176.426 0.3 1 377 34 35 GLY CA C 46.941 0.3 1 378 34 35 GLY N N 106.644 0.3 1 379 35 36 LEU H H 8.161 0.020 1 380 35 36 LEU HA H 4.665 0.020 1 381 35 36 LEU HB2 H 1.796 0.020 2 382 35 36 LEU HB3 H 1.661 0.020 2 383 35 36 LEU HG H 1.394 0.020 1 384 35 36 LEU HD1 H 0.686 0.020 1 385 35 36 LEU HD2 H 0.700 0.020 1 386 35 36 LEU C C 175.090 0.3 1 387 35 36 LEU CA C 54.142 0.3 1 388 35 36 LEU CB C 41.286 0.3 1 389 35 36 LEU CG C 26.694 0.3 1 390 35 36 LEU CD1 C 23.342 0.3 1 391 35 36 LEU CD2 C 23.035 0.3 1 392 35 36 LEU N N 119.657 0.3 1 393 36 37 THR H H 7.315 0.020 1 394 36 37 THR HA H 4.679 0.020 1 395 36 37 THR HB H 4.864 0.020 1 396 36 37 THR HG2 H 1.034 0.020 1 397 36 37 THR C C 173.073 0.3 1 398 36 37 THR CA C 60.530 0.3 1 399 36 37 THR CB C 68.925 0.3 1 400 36 37 THR CG2 C 21.477 0.3 1 401 36 37 THR N N 102.519 0.3 1 402 37 38 SER H H 7.518 0.020 1 403 37 38 SER HA H 4.854 0.020 1 404 37 38 SER HB2 H 3.691 0.020 2 405 37 38 SER HB3 H 3.888 0.020 2 406 37 38 SER C C 172.610 0.3 1 407 37 38 SER CA C 54.606 0.3 1 408 37 38 SER CB C 63.621 0.3 1 409 37 38 SER N N 115.043 0.3 1 410 38 39 PRO HA H 4.458 0.020 1 411 38 39 PRO HB2 H 1.659 0.020 2 412 38 39 PRO HB3 H 1.441 0.020 2 413 38 39 PRO HG2 H 1.974 0.020 1 414 38 39 PRO HG3 H 1.974 0.020 1 415 38 39 PRO HD2 H 3.625 0.020 2 416 38 39 PRO HD3 H 3.435 0.020 2 417 38 39 PRO C C 175.553 0.3 1 418 38 39 PRO CA C 63.201 0.3 1 419 38 39 PRO CB C 32.920 0.3 1 420 38 39 PRO CG C 26.834 0.3 1 421 38 39 PRO CD C 50.551 0.3 1 422 39 40 CYS H H 8.001 0.020 1 423 39 40 CYS HA H 4.265 0.020 1 424 39 40 CYS HB2 H 2.430 0.020 2 425 39 40 CYS HB3 H 3.147 0.020 2 426 39 40 CYS C C 174.981 0.3 1 427 39 40 CYS CA C 55.419 0.3 1 428 39 40 CYS CB C 39.564 0.3 1 429 39 40 CYS N N 114.478 0.3 1 430 40 41 LYS H H 7.895 0.020 1 431 40 41 LYS HA H 4.118 0.020 1 432 40 41 LYS HB2 H 1.692 0.020 2 433 40 41 LYS HB3 H 1.767 0.020 2 434 40 41 LYS HG2 H 1.461 0.020 2 435 40 41 LYS HG3 H 1.396 0.020 2 436 40 41 LYS HD2 H 1.823 0.020 1 437 40 41 LYS HD3 H 1.823 0.020 1 438 40 41 LYS HE2 H 3.100 0.020 2 439 40 41 LYS HE3 H 3.193 0.020 2 440 40 41 LYS C C 177.816 0.3 1 441 40 41 LYS CA C 55.847 0.3 1 442 40 41 LYS CB C 33.915 0.3 1 443 40 41 LYS CG C 25.356 0.3 1 444 40 41 LYS CD C 29.426 0.3 1 445 40 41 LYS CE C 42.121 0.3 1 446 40 41 LYS N N 126.917 0.3 1 447 41 42 ASP H H 8.800 0.020 1 448 41 42 ASP HA H 4.856 0.020 1 449 41 42 ASP HB2 H 2.798 0.020 2 450 41 42 ASP HB3 H 2.744 0.020 2 451 41 42 ASP C C 175.799 0.3 1 452 41 42 ASP CA C 57.161 0.3 1 453 41 42 ASP CB C 40.037 0.3 1 454 41 42 ASP N N 125.671 0.3 1 455 42 43 ILE H H 7.871 0.020 1 456 42 43 ILE HA H 5.340 0.020 1 457 42 43 ILE HB H 1.887 0.020 1 458 42 43 ILE HG12 H 1.409 0.020 2 459 42 43 ILE HG13 H 0.898 0.020 2 460 42 43 ILE HG2 H 0.777 0.020 1 461 42 43 ILE HD1 H 0.795 0.020 1 462 42 43 ILE C C 173.100 0.3 1 463 42 43 ILE CA C 59.426 0.3 1 464 42 43 ILE CB C 40.418 0.3 1 465 42 43 ILE CG1 C 29.121 0.3 1 466 42 43 ILE CG2 C 17.953 0.3 1 467 42 43 ILE CD1 C 14.441 0.3 1 468 42 43 ILE N N 117.210 0.3 1 469 43 44 ASN H H 8.425 0.020 1 470 43 44 ASN HA H 4.630 0.020 1 471 43 44 ASN HB2 H 2.270 0.020 2 472 43 44 ASN HB3 H 2.164 0.020 2 473 43 44 ASN HD21 H 6.934 0.020 1 474 43 44 ASN C C 173.209 0.3 1 475 43 44 ASN CA C 54.490 0.3 1 476 43 44 ASN CB C 44.299 0.3 1 477 43 44 ASN N N 121.578 0.3 1 478 43 44 ASN ND2 N 113.015 0.3 1 479 44 45 THR H H 8.588 0.020 1 480 44 45 THR HA H 4.939 0.020 1 481 44 45 THR HB H 3.045 0.020 1 482 44 45 THR HG2 H 0.122 0.020 1 483 44 45 THR C C 172.119 0.3 1 484 44 45 THR CA C 62.518 0.3 1 485 44 45 THR CB C 69.241 0.3 1 486 44 45 THR CG2 C 19.783 0.3 1 487 44 45 THR N N 124.421 0.3 1 488 45 46 PHE H H 9.172 0.020 1 489 45 46 PHE HA H 4.388 0.020 1 490 45 46 PHE HB2 H 2.851 0.020 2 491 45 46 PHE HB3 H 2.485 0.020 2 492 45 46 PHE HD1 H 7.018 0.020 1 493 45 46 PHE C C 172.555 0.3 1 494 45 46 PHE CA C 56.871 0.3 1 495 45 46 PHE CB C 41.837 0.3 1 496 45 46 PHE N N 125.601 0.3 1 497 46 47 ILE H H 8.968 0.020 1 498 46 47 ILE HA H 3.848 0.020 1 499 46 47 ILE HB H 1.580 0.020 1 500 46 47 ILE HG12 H 1.531 0.020 1 501 46 47 ILE HG13 H 1.531 0.020 1 502 46 47 ILE HG2 H 0.657 0.020 1 503 46 47 ILE HD1 H 0.584 0.020 1 504 46 47 ILE C C 174.245 0.3 1 505 46 47 ILE CA C 60.239 0.3 1 506 46 47 ILE CB C 39.974 0.3 1 507 46 47 ILE CG1 C 26.863 0.3 1 508 46 47 ILE CG2 C 19.051 0.3 1 509 46 47 ILE CD1 C 14.198 0.3 1 510 46 47 ILE N N 121.700 0.3 1 511 47 48 HIS H H 8.367 0.020 1 512 47 48 HIS HA H 5.575 0.020 1 513 47 48 HIS HB2 H 3.119 0.020 2 514 47 48 HIS HB3 H 2.985 0.020 2 515 47 48 HIS HD2 H 6.186 0.020 1 516 47 48 HIS C C 175.608 0.3 1 517 47 48 HIS CA C 52.399 0.3 1 518 47 48 HIS CB C 29.823 0.3 1 519 47 48 HIS CD2 C 127.175 0.3 1 520 47 48 HIS N N 124.455 0.3 1 521 48 49 GLY H H 8.590 0.020 1 522 48 49 GLY HA2 H 4.845 0.020 2 523 48 49 GLY HA3 H 3.986 0.020 2 524 48 49 GLY C C 173.509 0.3 1 525 48 49 GLY CA C 44.489 0.3 1 526 48 49 GLY N N 107.976 0.3 1 527 49 50 ASN H H 9.010 0.020 1 528 49 50 ASN HA H 4.558 0.020 1 529 49 50 ASN HB2 H 3.039 0.020 1 530 49 50 ASN HB3 H 3.039 0.020 1 531 49 50 ASN C C 176.289 0.3 1 532 49 50 ASN CA C 53.567 0.3 1 533 49 50 ASN CB C 39.583 0.3 1 534 49 50 ASN N N 122.042 0.3 1 535 50 51 LYS H H 9.019 0.020 1 536 50 51 LYS HA H 4.600 0.020 1 537 50 51 LYS HB2 H 1.840 0.020 2 538 50 51 LYS HB3 H 1.862 0.020 2 539 50 51 LYS HG2 H 0.835 0.020 1 540 50 51 LYS HG3 H 0.835 0.020 1 541 50 51 LYS C C 178.824 0.3 1 542 50 51 LYS CA C 59.929 0.3 1 543 50 51 LYS CB C 34.459 0.3 1 544 50 51 LYS CG C 22.656 0.3 1 545 50 51 LYS N N 126.361 0.3 1 546 51 52 ARG HA H 4.030 0.020 1 547 51 52 ARG HB2 H 1.956 0.020 2 548 51 52 ARG HB3 H 1.891 0.020 2 549 51 52 ARG HG2 H 1.703 0.020 1 550 51 52 ARG HG3 H 1.703 0.020 1 551 51 52 ARG HD2 H 3.151 0.020 1 552 51 52 ARG HD3 H 3.151 0.020 1 553 51 52 ARG C C 179.178 0.3 1 554 51 52 ARG CA C 59.484 0.3 1 555 51 52 ARG CB C 29.240 0.3 1 556 51 52 ARG CG C 27.143 0.3 1 557 51 52 ARG CD C 43.331 0.3 1 558 52 53 SER H H 7.856 0.020 1 559 52 53 SER HA H 4.325 0.020 1 560 52 53 SER HB2 H 4.099 0.020 2 561 52 53 SER HB3 H 4.154 0.020 2 562 52 53 SER C C 173.836 0.3 1 563 52 53 SER CA C 61.459 0.3 1 564 52 53 SER CB C 63.148 0.3 1 565 52 53 SER N N 114.729 0.3 1 566 53 54 ILE H H 7.347 0.020 1 567 53 54 ILE HA H 3.701 0.020 1 568 53 54 ILE HB H 1.903 0.020 1 569 53 54 ILE HG12 H 1.830 0.020 2 570 53 54 ILE HG13 H 1.807 0.020 2 571 53 54 ILE HG2 H 0.777 0.020 1 572 53 54 ILE HD1 H 0.590 0.020 1 573 53 54 ILE C C 177.707 0.3 1 574 53 54 ILE CA C 63.782 0.3 1 575 53 54 ILE CB C 38.057 0.3 1 576 53 54 ILE CG1 C 28.999 0.3 1 577 53 54 ILE CG2 C 17.110 0.3 1 578 53 54 ILE CD1 C 14.805 0.3 1 579 53 54 ILE N N 121.334 0.3 1 580 54 55 LYS H H 7.829 0.020 1 581 54 55 LYS HA H 3.619 0.020 1 582 54 55 LYS HB2 H 1.888 0.020 2 583 54 55 LYS HB3 H 1.825 0.020 2 584 54 55 LYS HG2 H 1.426 0.020 2 585 54 55 LYS HG3 H 1.328 0.020 2 586 54 55 LYS HD2 H 1.690 0.020 2 587 54 55 LYS HD3 H 1.561 0.020 2 588 54 55 LYS HE2 H 2.999 0.020 2 589 54 55 LYS HE3 H 2.791 0.020 2 590 54 55 LYS C C 178.279 0.3 1 591 54 55 LYS CA C 60.159 0.3 1 592 54 55 LYS CB C 30.970 0.3 1 593 54 55 LYS CG C 24.652 0.3 1 594 54 55 LYS CD C 29.653 0.3 1 595 54 55 LYS CE C 41.820 0.3 1 596 54 55 LYS N N 119.099 0.3 1 597 55 56 ALA H H 7.657 0.020 1 598 55 56 ALA HA H 4.139 0.020 1 599 55 56 ALA HB H 1.469 0.020 1 600 55 56 ALA C C 178.851 0.3 1 601 55 56 ALA CA C 53.561 0.3 1 602 55 56 ALA CB C 18.347 0.3 1 603 55 56 ALA N N 116.033 0.3 1 604 56 57 ILE H H 7.672 0.020 1 605 56 57 ILE HA H 3.626 0.020 1 606 56 57 ILE HB H 1.550 0.020 1 607 56 57 ILE HG12 H 0.925 0.020 2 608 56 57 ILE HG13 H 2.338 0.020 2 609 56 57 ILE HG2 H 0.711 0.020 1 610 56 57 ILE HD1 H 0.787 0.020 1 611 56 57 ILE C C 177.788 0.3 1 612 56 57 ILE CA C 64.304 0.3 1 613 56 57 ILE CB C 38.739 0.3 1 614 56 57 ILE CG1 C 27.665 0.3 1 615 56 57 ILE CG2 C 17.959 0.3 1 616 56 57 ILE CD1 C 14.926 0.3 1 617 56 57 ILE N N 120.524 0.3 1 618 57 58 CYS H H 7.350 0.020 1 619 57 58 CYS HA H 4.437 0.020 1 620 57 58 CYS HB2 H 2.648 0.020 2 621 57 58 CYS HB3 H 2.606 0.020 2 622 57 58 CYS C C 174.109 0.3 1 623 57 58 CYS CA C 54.838 0.3 1 624 57 58 CYS CB C 31.794 0.3 1 625 57 58 CYS N N 116.632 0.3 1 626 58 59 GLU H H 7.476 0.020 1 627 58 59 GLU HA H 4.412 0.020 1 628 58 59 GLU HB2 H 2.051 0.020 2 629 58 59 GLU HB3 H 2.122 0.020 2 630 58 59 GLU HG2 H 2.224 0.020 2 631 58 59 GLU HG3 H 2.172 0.020 2 632 58 59 GLU C C 176.180 0.3 1 633 58 59 GLU CA C 55.419 0.3 1 634 58 59 GLU CB C 31.513 0.3 1 635 58 59 GLU CG C 36.220 0.3 1 636 58 59 GLU N N 119.964 0.3 1 637 59 60 ASN H H 8.686 0.020 1 638 59 60 ASN HA H 3.986 0.020 1 639 59 60 ASN HB2 H 1.889 0.020 2 640 59 60 ASN HB3 H 1.957 0.020 2 641 59 60 ASN HD21 H 3.144 0.020 1 642 59 60 ASN HD22 H 3.144 0.020 1 643 59 60 ASN CA C 59.452 0.3 1 644 59 60 ASN CB C 29.255 0.3 1 645 59 60 ASN CG C 27.328 0.3 1 646 59 60 ASN N N 119.521 0.3 1 647 61 62 ASN H H 7.850 0.020 1 648 61 62 ASN HA H 4.582 0.020 1 649 61 62 ASN HB2 H 2.517 0.020 2 650 61 62 ASN HB3 H 2.468 0.020 2 651 61 62 ASN C C 175.717 0.3 1 652 61 62 ASN CA C 52.960 0.3 1 653 61 62 ASN CB C 40.248 0.3 1 654 61 62 ASN N N 123.526 0.3 1 655 62 63 GLY H H 7.816 0.020 1 656 62 63 GLY HA2 H 3.814 0.020 2 657 62 63 GLY HA3 H 3.917 0.020 2 658 62 63 GLY C C 171.683 0.3 1 659 62 63 GLY CA C 45.257 0.3 1 660 62 63 GLY N N 108.977 0.3 1 661 63 64 ASN H H 8.442 0.020 1 662 63 64 ASN HA H 4.960 0.020 1 663 63 64 ASN HB2 H 2.693 0.020 1 664 63 64 ASN HB3 H 2.693 0.020 1 665 63 64 ASN C C 175.553 0.3 1 666 63 64 ASN CA C 51.067 0.3 1 667 63 64 ASN CB C 38.833 0.3 1 668 63 64 ASN N N 119.467 0.3 1 669 67 68 GLU H H 8.793 0.020 1 670 67 68 GLU HA H 5.073 0.020 1 671 67 68 GLU HB2 H 2.062 0.020 2 672 67 68 GLU HB3 H 2.086 0.020 2 673 67 68 GLU HG2 H 2.238 0.020 2 674 67 68 GLU HG3 H 2.205 0.020 2 675 67 68 GLU C C 176.126 0.3 1 676 67 68 GLU CA C 57.857 0.3 1 677 67 68 GLU CB C 28.415 0.3 1 678 67 68 GLU CG C 36.326 0.3 1 679 67 68 GLU N N 119.865 0.3 1 680 68 69 ASN H H 8.595 0.020 1 681 68 69 ASN HA H 4.659 0.020 1 682 68 69 ASN HB2 H 2.842 0.020 1 683 68 69 ASN C C 174.654 0.3 1 684 68 69 ASN CA C 53.541 0.3 1 685 68 69 ASN CB C 38.551 0.3 1 686 68 69 ASN N N 118.483 0.3 1 687 68 69 ASN ND2 N 113.307 0.3 1 688 69 70 LEU H H 8.180 0.020 1 689 69 70 LEU HA H 4.161 0.020 1 690 69 70 LEU HB2 H 1.787 0.020 2 691 69 70 LEU HB3 H 1.692 0.020 2 692 69 70 LEU HG H 1.543 0.020 1 693 69 70 LEU HD1 H 0.564 0.020 1 694 69 70 LEU C C 176.862 0.3 1 695 69 70 LEU CA C 55.996 0.3 1 696 69 70 LEU CB C 43.198 0.3 1 697 69 70 LEU CG C 26.328 0.3 1 698 69 70 LEU CD1 C 22.955 0.3 1 699 69 70 LEU CD2 C 24.463 0.3 1 700 69 70 LEU N N 120.632 0.3 1 701 70 71 ARG H H 9.361 0.020 1 702 70 71 ARG HA H 4.907 0.020 1 703 70 71 ARG HB2 H 1.913 0.020 1 704 70 71 ARG HB3 H 1.913 0.020 1 705 70 71 ARG HG2 H 1.492 0.020 2 706 70 71 ARG HG3 H 1.604 0.020 2 707 70 71 ARG HD2 H 3.083 0.020 1 708 70 71 ARG HD3 H 3.083 0.020 1 709 70 71 ARG C C 173.509 0.3 1 710 70 71 ARG CA C 53.831 0.3 1 711 70 71 ARG CB C 33.837 0.3 1 712 70 71 ARG CG C 27.528 0.3 1 713 70 71 ARG CD C 43.210 0.3 1 714 70 71 ARG N N 122.504 0.3 1 715 72 73 SER H H 9.195 0.020 1 716 72 73 SER HA H 4.325 0.020 1 717 72 73 SER HB2 H 4.108 0.020 1 718 72 73 SER HB3 H 4.108 0.020 1 719 72 73 SER C C 174.545 0.3 1 720 72 73 SER CA C 59.198 0.3 1 721 72 73 SER CB C 64.924 0.3 1 722 72 73 SER N N 123.075 0.3 1 723 73 74 LYS HA H 4.153 0.020 1 724 73 74 LYS HB2 H 1.765 0.020 2 725 73 74 LYS HB3 H 1.855 0.020 2 726 73 74 LYS HG2 H 1.421 0.020 1 727 73 74 LYS HG3 H 1.421 0.020 1 728 73 74 LYS HD2 H 1.673 0.020 1 729 73 74 LYS HD3 H 1.673 0.020 1 730 73 74 LYS HE2 H 2.979 0.020 2 731 73 74 LYS HE3 H 2.963 0.020 2 732 73 74 LYS C C 177.897 0.3 1 733 73 74 LYS CA C 58.207 0.3 1 734 73 74 LYS CB C 32.744 0.3 1 735 73 74 LYS CG C 24.510 0.3 1 736 73 74 LYS CD C 29.100 0.3 1 737 73 74 LYS CE C 41.955 0.3 1 738 74 75 SER H H 8.191 0.020 1 739 74 75 SER HA H 4.483 0.020 1 740 74 75 SER HB2 H 3.627 0.020 2 741 74 75 SER HB3 H 3.737 0.020 2 742 74 75 SER C C 173.509 0.3 1 743 74 75 SER CA C 56.987 0.3 1 744 74 75 SER CB C 64.379 0.3 1 745 74 75 SER N N 113.106 0.3 1 746 75 76 SER H H 8.329 0.020 1 747 75 76 SER HA H 4.075 0.020 1 748 75 76 SER HB2 H 2.187 0.020 2 749 75 76 SER HB3 H 2.763 0.020 2 750 75 76 SER C C 172.310 0.3 1 751 75 76 SER CA C 58.202 0.3 1 752 75 76 SER CB C 63.610 0.3 1 753 75 76 SER N N 117.612 0.3 1 754 76 77 PHE H H 8.551 0.020 1 755 76 77 PHE HA H 4.628 0.020 1 756 76 77 PHE HB2 H 3.161 0.020 2 757 76 77 PHE HB3 H 2.611 0.020 2 758 76 77 PHE HD1 H 7.342 0.020 3 759 76 77 PHE HD2 H 7.363 0.020 3 760 76 77 PHE HE1 H 6.967 0.020 1 761 76 77 PHE HE2 H 6.967 0.020 1 762 76 77 PHE C C 176.317 0.3 1 763 76 77 PHE CA C 57.103 0.3 1 764 76 77 PHE CB C 42.305 0.3 1 765 76 77 PHE CD1 C 132.256 0.3 1 766 76 77 PHE CD2 C 131.859 0.3 1 767 76 77 PHE CE1 C 132.125 0.3 1 768 76 77 PHE N N 120.640 0.3 1 769 77 78 GLN H H 9.324 0.020 1 770 77 78 GLN HA H 5.017 0.020 1 771 77 78 GLN HB2 H 2.261 0.020 1 772 77 78 GLN HB3 H 2.261 0.020 1 773 77 78 GLN HG2 H 2.613 0.020 2 774 77 78 GLN HG3 H 2.722 0.020 2 775 77 78 GLN C C 174.872 0.3 1 776 77 78 GLN CA C 56.348 0.3 1 777 77 78 GLN CB C 28.103 0.3 1 778 77 78 GLN CG C 32.790 0.3 1 779 77 78 GLN N N 120.658 0.3 1 780 78 79 VAL H H 8.613 0.020 1 781 78 79 VAL HA H 5.290 0.020 1 782 78 79 VAL HB H 1.620 0.020 1 783 78 79 VAL HG1 H 0.719 0.020 1 784 78 79 VAL HG2 H 0.719 0.020 1 785 78 79 VAL C C 174.872 0.3 1 786 78 79 VAL CA C 58.412 0.3 1 787 78 79 VAL CB C 36.059 0.3 1 788 78 79 VAL CG1 C 22.005 0.3 1 789 78 79 VAL CG2 C 21.603 0.3 1 790 78 79 VAL N N 115.216 0.3 1 791 79 80 THR H H 9.197 0.020 1 792 79 80 THR HA H 4.868 0.020 1 793 79 80 THR HB H 4.195 0.020 1 794 79 80 THR HG2 H 1.175 0.020 1 795 79 80 THR C C 173.373 0.3 1 796 79 80 THR CA C 64.014 0.3 1 797 79 80 THR CB C 69.967 0.3 1 798 79 80 THR CG2 C 22.047 0.3 1 799 79 80 THR N N 121.692 0.3 1 800 80 81 THR H H 9.058 0.020 1 801 80 81 THR HA H 4.605 0.020 1 802 80 81 THR HB H 4.072 0.020 1 803 80 81 THR HG2 H 1.179 0.020 1 804 80 81 THR C C 172.855 0.3 1 805 80 81 THR CA C 62.014 0.3 1 806 80 81 THR CB C 69.053 0.3 1 807 80 81 THR CG2 C 21.609 0.3 1 808 80 81 THR N N 125.216 0.3 1 809 81 82 CYS H H 9.056 0.020 1 810 81 82 CYS HA H 5.307 0.020 1 811 81 82 CYS HB2 H 2.439 0.020 2 812 81 82 CYS HB3 H 2.847 0.020 2 813 81 82 CYS C C 173.127 0.3 1 814 81 82 CYS CA C 52.333 0.3 1 815 81 82 CYS CB C 38.833 0.3 1 816 81 82 CYS N N 126.965 0.3 1 817 82 83 LYS H H 9.114 0.020 1 818 82 83 LYS HA H 5.204 0.020 1 819 82 83 LYS HB2 H 2.022 0.020 2 820 82 83 LYS HB3 H 1.683 0.020 2 821 82 83 LYS HG2 H 1.485 0.020 2 822 82 83 LYS HG3 H 1.350 0.020 2 823 82 83 LYS HD2 H 1.715 0.020 1 824 82 83 LYS HD3 H 1.715 0.020 1 825 82 83 LYS C C 175.635 0.3 1 826 82 83 LYS CA C 54.807 0.3 1 827 82 83 LYS CB C 35.855 0.3 1 828 82 83 LYS CG C 25.750 0.3 1 829 82 83 LYS CD C 29.007 0.3 1 830 82 83 LYS CE C 42.132 0.3 1 831 82 83 LYS N N 125.216 0.3 1 832 83 84 LEU H H 9.141 0.020 1 833 83 84 LEU HA H 3.845 0.020 1 834 83 84 LEU HB2 H 1.786 0.020 2 835 83 84 LEU HB3 H 1.692 0.020 2 836 83 84 LEU HG H 1.275 0.020 1 837 83 84 LEU HD1 H 0.559 0.020 1 838 83 84 LEU HD2 H 0.573 0.020 1 839 83 84 LEU C C 176.616 0.3 1 840 83 84 LEU CA C 56.131 0.3 1 841 83 84 LEU CB C 43.587 0.3 1 842 83 84 LEU CG C 25.904 0.3 1 843 83 84 LEU CD1 C 22.715 0.3 1 844 83 84 LEU CD2 C 23.033 0.3 1 845 83 84 LEU N N 132.161 0.3 1 846 84 85 HIS H H 8.751 0.020 1 847 84 85 HIS HA H 4.636 0.020 1 848 84 85 HIS HB2 H 2.583 0.020 2 849 84 85 HIS HB3 H 2.636 0.020 2 850 84 85 HIS C C 174.126 0.3 1 851 84 85 HIS CA C 55.089 0.3 1 852 84 85 HIS CB C 30.092 0.3 1 853 84 85 HIS N N 125.826 0.3 1 854 85 86 GLY H H 8.282 0.020 1 855 85 86 GLY HA2 H 4.088 0.020 2 856 85 86 GLY HA3 H 3.573 0.020 2 857 85 86 GLY C C 174.126 0.3 1 858 85 86 GLY CA C 44.850 0.3 1 859 85 86 GLY N N 112.397 0.3 1 860 86 87 GLY H H 8.134 0.020 1 861 86 87 GLY HA2 H 3.920 0.020 2 862 86 87 GLY HA3 H 3.812 0.020 2 863 86 87 GLY C C 174.245 0.3 1 864 86 87 GLY CA C 45.625 0.3 1 865 86 87 GLY N N 106.387 0.3 1 866 87 88 SER H H 8.003 0.020 1 867 87 88 SER HA H 4.851 0.020 1 868 87 88 SER HB2 H 3.879 0.020 2 869 87 88 SER HB3 H 3.666 0.020 2 870 87 88 SER C C 173.891 0.3 1 871 87 88 SER CA C 54.600 0.3 1 872 87 88 SER CB C 63.891 0.3 1 873 87 88 SER N N 116.205 0.3 1 874 89 90 TRP H H 7.346 0.020 1 875 89 90 TRP HA H 5.111 0.020 1 876 89 90 TRP HB2 H 2.945 0.020 2 877 89 90 TRP HB3 H 3.465 0.020 2 878 89 90 TRP HD1 H 7.233 0.020 1 879 89 90 TRP HE1 H 10.193 0.020 1 880 89 90 TRP C C 173.236 0.3 1 881 89 90 TRP CA C 53.909 0.3 1 882 89 90 TRP CB C 29.388 0.3 1 883 89 90 TRP CD1 C 127.248 0.3 1 884 89 90 TRP N N 120.031 0.3 1 885 91 92 PRO HA H 4.464 0.020 1 886 91 92 PRO HB2 H 2.373 0.020 2 887 91 92 PRO HB3 H 2.060 0.020 2 888 91 92 PRO HG2 H 1.931 0.020 2 889 91 92 PRO HG3 H 2.039 0.020 2 890 91 92 PRO HD2 H 2.828 0.020 1 891 91 92 PRO HD3 H 2.828 0.020 1 892 91 92 PRO C C 175.853 0.3 1 893 91 92 PRO CA C 62.272 0.3 1 894 91 92 PRO CB C 34.016 0.3 1 895 91 92 PRO CG C 25.052 0.3 1 896 91 92 PRO CD C 50.594 0.3 1 897 92 93 CYS H H 9.078 0.020 1 898 92 93 CYS HA H 4.504 0.020 1 899 92 93 CYS HB2 H 2.930 0.020 2 900 92 93 CYS HB3 H 2.855 0.020 2 901 92 93 CYS C C 173.809 0.3 1 902 92 93 CYS CA C 53.561 0.3 1 903 92 93 CYS CB C 39.717 0.3 1 904 92 93 CYS N N 124.167 0.3 1 905 93 94 GLN H H 8.821 0.020 1 906 93 94 GLN HA H 4.637 0.020 1 907 93 94 GLN HB2 H 1.916 0.020 2 908 93 94 GLN HB3 H 2.020 0.020 2 909 93 94 GLN HG2 H 2.240 0.020 1 910 93 94 GLN HG3 H 2.240 0.020 1 911 93 94 GLN C C 175.799 0.3 1 912 93 94 GLN CA C 55.013 0.3 1 913 93 94 GLN CB C 29.903 0.3 1 914 93 94 GLN CG C 34.168 0.3 1 915 93 94 GLN N N 125.903 0.3 1 916 94 95 TYR H H 8.764 0.020 1 917 94 95 TYR HA H 4.926 0.020 1 918 94 95 TYR HB2 H 2.576 0.020 2 919 94 95 TYR HB3 H 2.440 0.020 2 920 94 95 TYR C C 176.262 0.3 1 921 94 95 TYR CA C 58.635 0.3 1 922 94 95 TYR CB C 44.276 0.3 1 923 94 95 TYR N N 120.254 0.3 1 924 95 96 ARG H H 9.002 0.020 1 925 95 96 ARG HA H 4.886 0.020 1 926 95 96 ARG HB2 H 1.738 0.020 2 927 95 96 ARG HB3 H 1.822 0.020 2 928 95 96 ARG HG2 H 1.516 0.020 1 929 95 96 ARG HG3 H 1.516 0.020 1 930 95 96 ARG HD2 H 3.083 0.020 1 931 95 96 ARG HD3 H 3.083 0.020 1 932 95 96 ARG C C 176.780 0.3 1 933 95 96 ARG CA C 52.922 0.3 1 934 95 96 ARG CB C 31.702 0.3 1 935 95 96 ARG CG C 26.901 0.3 1 936 95 96 ARG CD C 43.072 0.3 1 937 95 96 ARG N N 118.237 0.3 1 938 96 97 ALA H H 9.106 0.020 1 939 96 97 ALA HA H 5.483 0.020 1 940 96 97 ALA HB H 1.313 0.020 1 941 96 97 ALA C C 178.770 0.3 1 942 96 97 ALA CA C 51.412 0.3 1 943 96 97 ALA CB C 22.420 0.3 1 944 96 97 ALA N N 129.843 0.3 1 945 97 98 THR H H 9.255 0.020 1 946 97 98 THR HA H 4.587 0.020 1 947 97 98 THR HB H 3.953 0.020 1 948 97 98 THR HG2 H 1.274 0.020 1 949 97 98 THR C C 174.136 0.3 1 950 97 98 THR CA C 62.620 0.3 1 951 97 98 THR CB C 71.293 0.3 1 952 97 98 THR CG2 C 21.640 0.3 1 953 97 98 THR N N 117.494 0.3 1 954 98 99 ALA H H 9.499 0.020 1 955 98 99 ALA HA H 5.273 0.020 1 956 98 99 ALA HB H 1.496 0.020 1 957 98 99 ALA C C 176.698 0.3 1 958 98 99 ALA CA C 51.354 0.3 1 959 98 99 ALA CB C 19.791 0.3 1 960 98 99 ALA N N 134.491 0.3 1 961 99 100 GLY H H 8.687 0.020 1 962 99 100 GLY HA2 H 3.803 0.020 2 963 99 100 GLY HA3 H 4.574 0.020 2 964 99 100 GLY C C 171.328 0.3 1 965 99 100 GLY CA C 45.152 0.3 1 966 99 100 GLY N N 108.922 0.3 1 967 100 101 PHE H H 8.537 0.020 1 968 100 101 PHE HA H 5.736 0.020 1 969 100 101 PHE HB2 H 3.031 0.020 2 970 100 101 PHE HB3 H 2.993 0.020 2 971 100 101 PHE HD1 H 7.071 0.020 1 972 100 101 PHE C C 174.872 0.3 1 973 100 101 PHE CA C 56.116 0.3 1 974 100 101 PHE CB C 39.945 0.3 1 975 100 101 PHE CD1 C 128.810 0.3 1 976 100 101 PHE N N 122.150 0.3 1 977 101 102 ARG H H 8.770 0.020 1 978 101 102 ARG HA H 4.654 0.020 1 979 101 102 ARG HB2 H 1.791 0.020 2 980 101 102 ARG HB3 H 2.187 0.020 2 981 101 102 ARG HG2 H 1.696 0.020 1 982 101 102 ARG HG3 H 1.696 0.020 1 983 101 102 ARG C C 175.308 0.3 1 984 101 102 ARG CA C 54.664 0.3 1 985 101 102 ARG CB C 32.732 0.3 1 986 101 102 ARG CG C 29.122 0.3 1 987 101 102 ARG CD C 41.826 0.3 1 988 101 102 ARG N N 121.109 0.3 1 989 102 103 ASN H H 8.290 0.020 1 990 102 103 ASN HA H 4.666 0.020 1 991 102 103 ASN HB2 H 2.797 0.020 2 992 102 103 ASN HB3 H 2.669 0.020 2 993 102 103 ASN C C 174.054 0.3 1 994 102 103 ASN CA C 54.200 0.3 1 995 102 103 ASN CB C 38.143 0.3 1 996 102 103 ASN N N 118.908 0.3 1 997 103 104 VAL H H 8.436 0.020 1 998 103 104 VAL HA H 4.507 0.020 1 999 103 104 VAL HB H 1.854 0.020 1 1000 103 104 VAL HG1 H 0.830 0.020 1 1001 103 104 VAL HG2 H 0.830 0.020 1 1002 103 104 VAL C C 173.373 0.3 1 1003 103 104 VAL CA C 60.123 0.3 1 1004 103 104 VAL CB C 34.354 0.3 1 1005 103 104 VAL CG1 C 21.577 0.3 1 1006 103 104 VAL CG2 C 19.833 0.3 1 1007 103 104 VAL N N 113.132 0.3 1 1008 104 105 VAL H H 7.867 0.020 1 1009 104 105 VAL HA H 5.151 0.020 1 1010 104 105 VAL HB H 1.959 0.020 1 1011 104 105 VAL HG1 H 0.879 0.020 1 1012 104 105 VAL HG2 H 0.929 0.020 1 1013 104 105 VAL C C 176.262 0.3 1 1014 104 105 VAL CA C 60.994 0.3 1 1015 104 105 VAL CB C 32.904 0.3 1 1016 104 105 VAL CG1 C 23.218 0.3 1 1017 104 105 VAL CG2 C 20.906 0.3 1 1018 104 105 VAL N N 122.543 0.3 1 1019 105 106 VAL H H 8.988 0.020 1 1020 105 106 VAL HA H 5.358 0.020 1 1021 105 106 VAL HB H 2.021 0.020 1 1022 105 106 VAL HG1 H 0.576 0.020 1 1023 105 106 VAL HG2 H 0.717 0.020 1 1024 105 106 VAL C C 174.027 0.3 1 1025 105 106 VAL CA C 57.857 0.3 1 1026 105 106 VAL CB C 35.548 0.3 1 1027 105 106 VAL CG1 C 19.059 0.3 1 1028 105 106 VAL CG2 C 21.707 0.3 1 1029 105 106 VAL N N 120.192 0.3 1 1030 106 107 ALA H H 8.347 0.020 1 1031 106 107 ALA HA H 4.965 0.020 1 1032 106 107 ALA HB H 1.379 0.020 1 1033 106 107 ALA C C 176.971 0.3 1 1034 106 107 ALA CA C 50.607 0.3 1 1035 106 107 ALA CB C 21.470 0.3 1 1036 106 107 ALA N N 120.941 0.3 1 1037 107 108 CYS H H 8.932 0.020 1 1038 107 108 CYS HA H 5.449 0.020 1 1039 107 108 CYS HB2 H 3.057 0.020 1 1040 107 108 CYS HG H 2.643 0.020 1 1041 107 108 CYS C C 174.136 0.3 1 1042 107 108 CYS CA C 55.187 0.3 1 1043 107 108 CYS CB C 46.627 0.3 1 1044 107 108 CYS N N 120.206 0.3 1 1045 108 109 GLU H H 9.276 0.020 1 1046 108 109 GLU HA H 4.393 0.020 1 1047 108 109 GLU HB2 H 1.771 0.020 2 1048 108 109 GLU HB3 H 1.678 0.020 2 1049 108 109 GLU HG2 H 2.145 0.020 2 1050 108 109 GLU HG3 H 2.094 0.020 2 1051 108 109 GLU C C 176.235 0.3 1 1052 108 109 GLU CA C 56.016 0.3 1 1053 108 109 GLU CB C 33.295 0.3 1 1054 108 109 GLU CG C 36.278 0.3 1 1055 108 109 GLU N N 122.493 0.3 1 1056 109 110 ASN H H 9.583 0.020 1 1057 109 110 ASN HA H 4.327 0.020 1 1058 109 110 ASN HB2 H 2.633 0.020 2 1059 109 110 ASN HB3 H 2.769 0.020 2 1060 109 110 ASN C C 174.518 0.3 1 1061 109 110 ASN CA C 54.245 0.3 1 1062 109 110 ASN CB C 37.575 0.3 1 1063 109 110 ASN N N 126.121 0.3 1 1064 110 111 GLY H H 8.778 0.020 1 1065 110 111 GLY HA2 H 3.976 0.020 2 1066 110 111 GLY HA3 H 3.393 0.020 2 1067 110 111 GLY C C 172.719 0.3 1 1068 110 111 GLY CA C 45.082 0.3 1 1069 110 111 GLY N N 102.631 0.3 1 1070 111 112 LEU H H 7.450 0.020 1 1071 111 112 LEU HA H 4.669 0.020 1 1072 111 112 LEU HB2 H 1.486 0.020 2 1073 111 112 LEU HB3 H 0.757 0.020 2 1074 111 112 LEU HG H 1.319 0.020 1 1075 111 112 LEU HD1 H 0.212 0.020 1 1076 111 112 LEU HD2 H 0.170 0.020 1 1077 111 112 LEU C C 173.891 0.3 1 1078 111 112 LEU CA C 50.541 0.3 1 1079 111 112 LEU CB C 42.672 0.3 1 1080 111 112 LEU CG C 24.753 0.3 1 1081 111 112 LEU CD1 C 22.084 0.3 1 1082 111 112 LEU CD2 C 21.477 0.3 1 1083 111 112 LEU N N 118.298 0.3 1 1084 112 113 PRO HA H 4.529 0.020 1 1085 112 113 PRO HB2 H 2.571 0.020 2 1086 112 113 PRO HB3 H 1.946 0.020 2 1087 112 113 PRO HG2 H 1.671 0.020 1 1088 112 113 PRO HG3 H 1.671 0.020 1 1089 112 113 PRO HD2 H 3.819 0.020 2 1090 112 113 PRO HD3 H 3.746 0.020 2 1091 112 113 PRO C C 175.226 0.3 1 1092 112 113 PRO CA C 61.878 0.3 1 1093 112 113 PRO CB C 30.506 0.3 1 1094 112 113 PRO CG C 27.609 0.3 1 1095 112 113 PRO CD C 50.955 0.3 1 1096 113 114 VAL H H 8.259 0.020 1 1097 113 114 VAL HA H 4.585 0.020 1 1098 113 114 VAL HB H 2.224 0.020 1 1099 113 114 VAL HG1 H 0.826 0.020 1 1100 113 114 VAL HG2 H 0.599 0.020 1 1101 113 114 VAL C C 176.262 0.3 1 1102 113 114 VAL CA C 60.117 0.3 1 1103 113 114 VAL CB C 34.354 0.3 1 1104 113 114 VAL CG1 C 22.593 0.3 1 1105 113 114 VAL CG2 C 17.598 0.3 1 1106 113 114 VAL N N 107.070 0.3 1 1107 114 115 HIS H H 7.381 0.020 1 1108 114 115 HIS HA H 4.146 0.020 1 1109 114 115 HIS HB2 H 1.912 0.020 1 1110 114 115 HIS HB3 H 1.912 0.020 1 1111 114 115 HIS C C 172.528 0.3 1 1112 114 115 HIS CA C 55.538 0.3 1 1113 114 115 HIS CB C 30.782 0.3 1 1114 114 115 HIS N N 118.745 0.3 1 1115 115 116 LEU H H 8.806 0.020 1 1116 115 116 LEU HA H 4.657 0.020 1 1117 115 116 LEU HB2 H 0.907 0.020 2 1118 115 116 LEU HB3 H 0.616 0.020 2 1119 115 116 LEU HG H 1.345 0.020 1 1120 115 116 LEU HD1 H 1.178 0.020 1 1121 115 116 LEU HD2 H 0.819 0.020 1 1122 115 116 LEU C C 174.736 0.3 1 1123 115 116 LEU CA C 54.019 0.3 1 1124 115 116 LEU CB C 43.150 0.3 1 1125 115 116 LEU CG C 26.547 0.3 1 1126 115 116 LEU CD1 C 24.787 0.3 1 1127 115 116 LEU CD2 C 23.395 0.3 1 1128 115 116 LEU N N 127.994 0.3 1 1129 116 117 ASP H H 7.992 0.020 1 1130 116 117 ASP HA H 4.566 0.020 1 1131 116 117 ASP HB2 H 3.147 0.020 2 1132 116 117 ASP HB3 H 2.337 0.020 2 1133 116 117 ASP C C 175.853 0.3 1 1134 116 117 ASP CA C 53.735 0.3 1 1135 116 117 ASP CB C 40.147 0.3 1 1136 116 117 ASP N N 124.133 0.3 1 1137 117 118 GLN H H 8.620 0.020 1 1138 117 118 GLN HA H 4.246 0.020 1 1139 117 118 GLN HB2 H 2.152 0.020 2 1140 117 118 GLN HB3 H 2.094 0.020 2 1141 117 118 GLN HG2 H 2.559 0.020 1 1142 117 118 GLN HG3 H 2.559 0.020 1 1143 117 118 GLN C C 177.816 0.3 1 1144 117 118 GLN CA C 56.361 0.3 1 1145 117 118 GLN CB C 29.447 0.3 1 1146 117 118 GLN CG C 35.231 0.3 1 1147 117 118 GLN N N 125.765 0.3 1 1148 118 119 SER H H 8.561 0.020 1 1149 118 119 SER HA H 4.047 0.020 1 1150 118 119 SER HB2 H 3.898 0.020 1 1151 118 119 SER HB3 H 3.898 0.020 1 1152 118 119 SER C C 176.916 0.3 1 1153 118 119 SER CA C 61.807 0.3 1 1154 118 119 SER CB C 62.580 0.3 1 1155 118 119 SER N N 117.525 0.3 1 1156 119 120 ILE H H 6.806 0.020 1 1157 119 120 ILE HA H 3.896 0.020 1 1158 119 120 ILE HB H 1.615 0.020 1 1159 119 120 ILE HG12 H 1.078 0.020 1 1160 119 120 ILE HG13 H 1.078 0.020 1 1161 119 120 ILE HG2 H 0.591 0.020 1 1162 119 120 ILE HD1 H 0.542 0.020 1 1163 119 120 ILE C C 176.044 0.3 1 1164 119 120 ILE CA C 62.485 0.3 1 1165 119 120 ILE CB C 36.580 0.3 1 1166 119 120 ILE CG1 C 22.448 0.3 1 1167 119 120 ILE CG2 C 18.080 0.3 1 1168 119 120 ILE CD1 C 13.834 0.3 1 1169 119 120 ILE N N 116.152 0.3 1 1170 120 121 PHE H H 7.269 0.020 1 1171 120 121 PHE HA H 4.588 0.020 1 1172 120 121 PHE HB2 H 3.535 0.020 2 1173 120 121 PHE HB3 H 2.424 0.020 2 1174 120 121 PHE C C 175.112 0.3 1 1175 120 121 PHE CA C 57.915 0.3 1 1176 120 121 PHE CB C 39.491 0.3 1 1177 120 121 PHE N N 118.026 0.3 1 1178 121 122 ARG H H 7.409 0.020 1 1179 121 122 ARG HA H 4.129 0.020 1 1180 121 122 ARG HB2 H 1.891 0.020 2 1181 121 122 ARG HB3 H 1.833 0.020 2 1182 121 122 ARG HG2 H 1.605 0.020 2 1183 121 122 ARG HG3 H 1.692 0.020 2 1184 121 122 ARG HD2 H 3.197 0.020 2 1185 121 122 ARG HD3 H 3.133 0.020 2 1186 121 122 ARG C C 175.645 0.3 1 1187 121 122 ARG CA C 57.161 0.3 1 1188 121 122 ARG CB C 30.471 0.3 1 1189 121 122 ARG CG C 27.806 0.3 1 1190 121 122 ARG CD C 43.321 0.3 1 1191 121 122 ARG N N 119.277 0.3 1 1192 122 123 ARG H H 7.873 0.020 1 1193 122 123 ARG HA H 4.616 0.020 1 1194 122 123 ARG HB2 H 1.797 0.020 2 1195 122 123 ARG HB3 H 1.902 0.020 2 1196 122 123 ARG HG2 H 1.418 0.020 2 1197 122 123 ARG HG3 H 1.616 0.020 2 1198 122 123 ARG HD2 H 2.809 0.020 2 1199 122 123 ARG HD3 H 2.761 0.020 2 1200 122 123 ARG C C 173.155 0.3 1 1201 122 123 ARG CA C 53.503 0.3 1 1202 122 123 ARG CB C 29.332 0.3 1 1203 122 123 ARG CG C 24.572 0.3 1 1204 122 123 ARG CD C 42.223 0.3 1 1205 122 123 ARG N N 121.524 0.3 1 stop_ save_