data_25502 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Extending the eNOE data set of large proteins by evaluation of NOEs with unresolved diagonals ; _BMRB_accession_number 25502 _BMRB_flat_file_name bmr25502.str _Entry_type original _Submission_date 2015-04-20 _Accession_date 2015-04-20 _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 Chi Celestine N. . 2 Strotz Dean . . 3 Riek Roland . . 4 Voegeli Beat . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 977 "13C chemical shifts" 445 "15N chemical shifts" 173 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-30 update BMRB 'update entry citation' 2015-04-20 original author 'original release' stop_ _Original_release_date 2015-04-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Extending the eNOE data set of large proteins by evaluation of NOEs with unresolved diagonals ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25749872 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chi Celestine N. . 2 Strotz Dean . . 3 Riek Roland . . 4 Voegeli Beat . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 62 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 63 _Page_last 69 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Peptidyl-prolyl cis-trans isomerase A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 ORI $entity_ORI 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 18036.637 _Mol_thiol_state 'disulfide bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILSM ANAGPNTNGSQFFICTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 ASN 4 PRO 5 THR 6 VAL 7 PHE 8 PHE 9 ASP 10 ILE 11 ALA 12 VAL 13 ASP 14 GLY 15 GLU 16 PRO 17 LEU 18 GLY 19 ARG 20 VAL 21 SER 22 PHE 23 GLU 24 LEU 25 PHE 26 ALA 27 ASP 28 LYS 29 VAL 30 PRO 31 LYS 32 THR 33 ALA 34 GLU 35 ASN 36 PHE 37 ARG 38 ALA 39 LEU 40 SER 41 THR 42 GLY 43 GLU 44 LYS 45 GLY 46 PHE 47 GLY 48 TYR 49 LYS 50 GLY 51 SER 52 CYS 53 PHE 54 HIS 55 ARG 56 ILE 57 ILE 58 PRO 59 GLY 60 PHE 61 MET 62 CYS 63 GLN 64 GLY 65 GLY 66 ASP 67 PHE 68 THR 69 ARG 70 HIS 71 ASN 72 GLY 73 THR 74 GLY 75 GLY 76 LYS 77 SER 78 ILE 79 TYR 80 GLY 81 GLU 82 LYS 83 PHE 84 GLU 85 ASP 86 GLU 87 ASN 88 PHE 89 ILE 90 LEU 91 LYS 92 HIS 93 THR 94 GLY 95 PRO 96 GLY 97 ILE 98 LEU 99 SER 100 MET 101 ALA 102 ASN 103 ALA 104 GLY 105 PRO 106 ASN 107 THR 108 ASN 109 GLY 110 SER 111 GLN 112 PHE 113 PHE 114 ILE 115 CYS 116 THR 117 ALA 118 LYS 119 THR 120 GLU 121 TRP 122 LEU 123 ASP 124 GLY 125 LYS 126 HIS 127 VAL 128 VAL 129 PHE 130 GLY 131 LYS 132 VAL 133 LYS 134 GLU 135 GLY 136 MET 137 ASN 138 ILE 139 VAL 140 GLU 141 ALA 142 MET 143 GLU 144 ARG 145 PHE 146 GLY 147 SER 148 ARG 149 ASN 150 GLY 151 LYS 152 THR 153 SER 154 LYS 155 LYS 156 ILE 157 THR 158 ILE 159 ALA 160 ASP 161 CYS 162 GLY 163 GLN 164 LEU 165 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ORI _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common '4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid' _BMRB_code ORI _PDB_code ORI _Molecular_mass 328.342 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OB4 OB4 O . 0 . ? SB SB S . 0 . ? OB2 OB2 O . 0 . ? OB3 OB3 O . 0 . ? CB4 CB4 C . 0 . ? CB5 CB5 C . 0 . ? CB6 CB6 C . 0 . ? CB3 CB3 C . 0 . ? CB2 CB2 C . 0 . ? CB1 CB1 C . 0 . ? N2 N2 N . 0 . ? N1 N1 N . 0 . ? C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? OA1 OA1 O . 0 . ? C5 C5 C . 0 . ? C10 C10 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING OA1 C4 ? ? DOUB C6 C7 ? ? SING C6 C5 ? ? DOUB C4 C5 ? ? SING C4 C3 ? ? SING C7 C8 ? ? SING C5 C10 ? ? DOUB C3 C2 ? ? DOUB C8 C9 ? ? SING C10 C9 ? ? DOUB C10 C1 ? ? SING C2 C1 ? ? SING C1 N1 ? ? DOUB N1 N2 ? ? SING N2 CB1 ? ? DOUB CB1 CB2 ? ? SING CB1 CB6 ? ? SING CB2 CB3 ? ? DOUB CB6 CB5 ? ? DOUB CB3 CB4 ? ? SING CB5 CB4 ? ? SING CB4 SB ? ? DOUB OB4 SB ? ? DOUB SB OB2 ? ? SING SB OB3 ? ? SING CB5 H1 ? ? SING CB6 H2 ? ? SING CB3 H3 ? ? SING CB2 H4 ? ? SING C2 H5 ? ? SING C3 H6 ? ? SING OA1 H7 ? ? SING C6 H8 ? ? SING C7 H9 ? ? SING C8 H10 ? ? SING C9 H11 ? ? SING OB3 H12 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . 'pRSET A' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HCCH-TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 299 . 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 internal indirect . . . . DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 internal indirect . . . . 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 '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 MET HA H 4.119 0.003 . 2 1 1 MET HB2 H 2.141 0.014 . 3 1 1 MET HB3 H 2.123 0.019 . 4 1 1 MET HG2 H 2.579 0.002 . 5 1 1 MET HG3 H 2.547 0.009 . 6 1 1 MET HE H 2.087 0.010 . 7 1 1 MET CA C 54.839 0.010 . 8 1 1 MET CB C 33.810 0.020 . 9 1 1 MET CG C 30.694 0.015 . 10 1 1 MET CE C 16.738 0.020 . 11 2 2 VAL HA H 4.176 0.015 . 12 2 2 VAL HB H 2.046 0.003 . 13 2 2 VAL HG1 H 0.935 0.008 . 14 2 2 VAL HG2 H 0.927 0.009 . 15 2 2 VAL CA C 61.492 0.012 . 16 2 2 VAL CB C 33.126 0.020 . 17 2 2 VAL CG1 C 20.576 0.022 . 18 2 2 VAL CG2 C 20.526 0.084 . 19 3 3 ASN H H 8.600 0.021 . 20 3 3 ASN HA H 5.137 0.003 . 21 3 3 ASN HB2 H 2.771 0.006 . 22 3 3 ASN HB3 H 3.612 0.005 . 23 3 3 ASN HD21 H 8.457 0.018 . 24 3 3 ASN HD22 H 6.983 0.003 . 25 3 3 ASN CA C 51.008 0.057 . 26 3 3 ASN CB C 37.799 0.100 . 27 3 3 ASN N N 126.515 0.060 . 28 3 3 ASN ND2 N 109.703 0.009 . 29 4 4 PRO HA H 4.753 0.002 . 30 4 4 PRO HB2 H 1.711 0.005 . 31 4 4 PRO HB3 H 2.364 0.014 . 32 4 4 PRO HG2 H 2.086 0.004 . 33 4 4 PRO HG3 H 2.187 0.006 . 34 4 4 PRO HD2 H 4.093 0.012 . 35 4 4 PRO HD3 H 4.065 0.014 . 36 4 4 PRO CA C 62.669 0.060 . 37 4 4 PRO CB C 33.138 0.079 . 38 4 4 PRO CG C 26.689 0.005 . 39 4 4 PRO CD C 50.660 0.057 . 40 5 5 THR H H 8.771 0.002 . 41 5 5 THR HA H 5.716 0.003 . 42 5 5 THR HB H 4.059 0.007 . 43 5 5 THR HG2 H 1.201 0.004 . 44 5 5 THR CA C 60.698 0.077 . 45 5 5 THR CG2 C 22.127 0.070 . 46 5 5 THR N N 114.826 0.020 . 47 6 6 VAL H H 8.741 0.004 . 48 6 6 VAL HA H 5.339 0.003 . 49 6 6 VAL HB H 2.306 0.004 . 50 6 6 VAL HG1 H 1.055 0.007 . 51 6 6 VAL HG2 H 1.066 0.006 . 52 6 6 VAL CA C 58.797 0.056 . 53 6 6 VAL CB C 36.135 0.010 . 54 6 6 VAL CG1 C 21.612 0.009 . 55 6 6 VAL CG2 C 20.545 0.007 . 56 6 6 VAL N N 120.113 0.060 . 57 7 7 PHE H H 8.954 0.007 . 58 7 7 PHE HA H 5.895 0.003 . 59 7 7 PHE HB2 H 2.842 0.006 . 60 7 7 PHE HB3 H 2.632 0.006 . 61 7 7 PHE HD1 H 6.735 0.008 . 62 7 7 PHE HD2 H 6.735 0.008 . 63 7 7 PHE HE1 H 6.989 0.006 . 64 7 7 PHE HE2 H 6.989 0.006 . 65 7 7 PHE HZ H 7.024 0.023 . 66 7 7 PHE CA C 55.688 0.010 . 67 7 7 PHE CB C 43.043 0.042 . 68 7 7 PHE N N 118.968 0.020 . 69 8 8 PHE H H 9.540 0.012 . 70 8 8 PHE HA H 5.317 0.006 . 71 8 8 PHE HB2 H 3.459 0.004 . 72 8 8 PHE HB3 H 3.258 0.006 . 73 8 8 PHE HD1 H 7.488 0.005 . 74 8 8 PHE HD2 H 7.488 0.005 . 75 8 8 PHE HE1 H 7.179 0.004 . 76 8 8 PHE HE2 H 7.179 0.004 . 77 8 8 PHE HZ H 6.191 0.003 . 78 8 8 PHE CA C 53.423 0.078 . 79 8 8 PHE CB C 42.870 0.077 . 80 8 8 PHE N N 116.774 0.050 . 81 9 9 ASP H H 9.266 0.007 . 82 9 9 ASP HA H 5.533 0.005 . 83 9 9 ASP HB2 H 2.862 0.009 . 84 9 9 ASP HB3 H 2.520 0.009 . 85 9 9 ASP CA C 54.765 0.066 . 86 9 9 ASP CB C 41.313 0.075 . 87 9 9 ASP N N 123.959 0.070 . 88 10 10 ILE H H 9.030 0.009 . 89 10 10 ILE HA H 5.172 0.003 . 90 10 10 ILE HB H 2.061 0.009 . 91 10 10 ILE HG12 H 1.846 0.011 . 92 10 10 ILE HG13 H 1.654 0.017 . 93 10 10 ILE HG2 H 0.965 0.007 . 94 10 10 ILE HD1 H 0.995 0.004 . 95 10 10 ILE CA C 58.159 0.015 . 96 10 10 ILE CB C 37.703 0.096 . 97 10 10 ILE CG1 C 27.012 0.050 . 98 10 10 ILE CG2 C 18.415 0.007 . 99 10 10 ILE CD1 C 11.271 0.050 . 100 10 10 ILE N N 124.122 0.080 . 101 11 11 ALA H H 9.603 0.007 . 102 11 11 ALA HA H 5.165 0.004 . 103 11 11 ALA HB H 1.055 0.009 . 104 11 11 ALA CA C 50.664 0.010 . 105 11 11 ALA CB C 22.561 0.008 . 106 11 11 ALA N N 132.244 0.080 . 107 12 12 VAL H H 8.943 0.008 . 108 12 12 VAL HA H 4.511 0.004 . 109 12 12 VAL HB H 1.787 0.007 . 110 12 12 VAL HG1 H 0.335 0.006 . 111 12 12 VAL HG2 H 0.653 0.008 . 112 12 12 VAL CA C 60.426 0.084 . 113 12 12 VAL CB C 33.181 0.055 . 114 12 12 VAL CG1 C 21.124 0.006 . 115 12 12 VAL CG2 C 21.463 0.060 . 116 12 12 VAL N N 118.199 0.090 . 117 13 13 ASP H H 9.846 0.004 . 118 13 13 ASP HA H 4.320 0.007 . 119 13 13 ASP HB2 H 3.101 0.011 . 120 13 13 ASP HB3 H 2.512 0.011 . 121 13 13 ASP CA C 55.826 0.020 . 122 13 13 ASP CB C 39.835 0.063 . 123 13 13 ASP N N 130.748 0.050 . 124 14 14 GLY H H 8.558 0.004 . 125 14 14 GLY HA2 H 3.420 0.004 . 126 14 14 GLY HA3 H 4.215 0.010 . 127 14 14 GLY CA C 45.082 0.001 . 128 14 14 GLY N N 101.493 0.050 . 129 15 15 GLU H H 8.046 0.002 . 130 15 15 GLU HA H 4.836 0.003 . 131 15 15 GLU HB2 H 2.093 0.005 . 132 15 15 GLU HB3 H 1.987 0.023 . 133 15 15 GLU HG2 H 2.290 0.005 . 134 15 15 GLU HG3 H 2.198 0.006 . 135 15 15 GLU CA C 52.753 0.030 . 136 15 15 GLU CB C 30.236 0.001 . 137 15 15 GLU CG C 35.635 0.081 . 138 15 15 GLU N N 123.014 0.060 . 139 16 16 PRO HA H 4.176 0.004 . 140 16 16 PRO HB2 H 1.886 0.007 . 141 16 16 PRO HB3 H 2.326 0.007 . 142 16 16 PRO HG2 H 2.150 0.003 . 143 16 16 PRO HG3 H 1.982 0.005 . 144 16 16 PRO HD2 H 3.953 0.008 . 145 16 16 PRO HD3 H 3.726 0.004 . 146 16 16 PRO CA C 64.546 0.023 . 147 16 16 PRO CB C 32.178 0.015 . 148 16 16 PRO CG C 27.534 0.008 . 149 16 16 PRO CD C 50.906 0.055 . 150 17 17 LEU H H 9.189 0.006 . 151 17 17 LEU HA H 4.687 0.006 . 152 17 17 LEU HB2 H 1.603 0.010 . 153 17 17 LEU HB3 H 1.418 0.009 . 154 17 17 LEU HG H 1.564 0.007 . 155 17 17 LEU HD1 H 0.985 0.008 . 156 17 17 LEU HD2 H 0.826 0.003 . 157 17 17 LEU CA C 55.348 0.000 . 158 17 17 LEU CB C 44.157 0.083 . 159 17 17 LEU CD1 C 25.716 0.010 . 160 17 17 LEU N N 125.784 0.050 . 161 18 18 GLY H H 7.256 0.013 . 162 18 18 GLY HA2 H 4.262 0.004 . 163 18 18 GLY HA3 H 3.955 0.006 . 164 18 18 GLY CA C 44.969 0.010 . 165 18 18 GLY N N 102.200 0.055 . 166 19 19 ARG H H 8.320 0.002 . 167 19 19 ARG HA H 5.622 0.008 . 168 19 19 ARG HB2 H 1.992 0.005 . 169 19 19 ARG HB3 H 1.620 0.007 . 170 19 19 ARG HG2 H 1.606 0.001 . 171 19 19 ARG HG3 H 1.461 0.011 . 172 19 19 ARG HD2 H 2.776 0.013 . 173 19 19 ARG HD3 H 2.669 0.010 . 174 19 19 ARG HE H 9.025 0.001 . 175 19 19 ARG CA C 55.015 0.086 . 176 19 19 ARG CB C 33.340 0.090 . 177 19 19 ARG CG C 26.902 0.003 . 178 19 19 ARG CD C 43.101 0.099 . 179 19 19 ARG N N 120.995 0.025 . 180 19 19 ARG NE N 85.905 0.009 . 181 20 20 VAL H H 9.364 0.011 . 182 20 20 VAL HA H 4.603 0.004 . 183 20 20 VAL HB H 1.738 0.008 . 184 20 20 VAL HG1 H 0.513 0.006 . 185 20 20 VAL HG2 H 0.852 0.002 . 186 20 20 VAL CA C 59.941 0.081 . 187 20 20 VAL CB C 34.883 0.087 . 188 20 20 VAL CG1 C 22.132 0.005 . 189 20 20 VAL CG2 C 21.897 0.061 . 190 20 20 VAL N N 126.616 0.050 . 191 21 21 SER H H 8.768 0.002 . 192 21 21 SER HA H 5.515 0.006 . 193 21 21 SER HB2 H 3.732 0.010 . 194 21 21 SER HB3 H 3.565 0.008 . 195 21 21 SER CA C 55.317 0.070 . 196 21 21 SER CB C 66.791 0.015 . 197 21 21 SER N N 120.061 0.090 . 198 22 22 PHE H H 9.508 0.009 . 199 22 22 PHE HA H 5.237 0.008 . 200 22 22 PHE HB2 H 2.300 0.007 . 201 22 22 PHE HB3 H 2.429 0.002 . 202 22 22 PHE HD1 H 6.525 0.005 . 203 22 22 PHE HD2 H 6.525 0.005 . 204 22 22 PHE HE1 H 6.155 0.004 . 205 22 22 PHE HE2 H 6.155 0.004 . 206 22 22 PHE HZ H 6.637 0.008 . 207 22 22 PHE CA C 55.688 0.030 . 208 22 22 PHE CB C 42.574 0.053 . 209 22 22 PHE N N 118.878 0.060 . 210 23 23 GLU H H 8.740 0.009 . 211 23 23 GLU HA H 4.749 0.006 . 212 23 23 GLU HB2 H 1.821 0.019 . 213 23 23 GLU HB3 H 1.682 0.001 . 214 23 23 GLU HG2 H 2.190 0.004 . 215 23 23 GLU HG3 H 1.798 0.009 . 216 23 23 GLU CA C 54.949 0.020 . 217 23 23 GLU CB C 31.629 0.000 . 218 23 23 GLU CG C 36.461 0.096 . 219 23 23 GLU N N 122.926 0.075 . 220 24 24 LEU H H 8.185 0.002 . 221 24 24 LEU HA H 4.697 0.004 . 222 24 24 LEU HB2 H 1.881 0.011 . 223 24 24 LEU HB3 H 1.232 0.006 . 224 24 24 LEU HG H 1.697 0.011 . 225 24 24 LEU HD1 H 1.102 0.006 . 226 24 24 LEU HD2 H 0.461 0.003 . 227 24 24 LEU CA C 51.551 0.020 . 228 24 24 LEU CB C 43.120 0.063 . 229 24 24 LEU CG C 26.879 0.002 . 230 24 24 LEU CD1 C 26.654 0.003 . 231 24 24 LEU CD2 C 23.050 0.002 . 232 24 24 LEU N N 122.262 0.025 . 233 25 25 PHE H H 8.815 0.011 . 234 25 25 PHE HA H 5.108 0.002 . 235 25 25 PHE HB2 H 2.668 0.007 . 236 25 25 PHE HB3 H 3.256 0.004 . 237 25 25 PHE HD1 H 6.873 0.010 . 238 25 25 PHE HD2 H 6.873 0.010 . 239 25 25 PHE HE1 H 6.990 0.011 . 240 25 25 PHE HE2 H 6.990 0.011 . 241 25 25 PHE HZ H 6.966 0.012 . 242 25 25 PHE CA C 54.290 0.002 . 243 25 25 PHE CB C 35.961 0.084 . 244 25 25 PHE N N 124.423 0.022 . 245 26 26 ALA H H 8.433 0.005 . 246 26 26 ALA HA H 3.771 0.003 . 247 26 26 ALA HB H 1.506 0.006 . 248 26 26 ALA CA C 54.286 0.096 . 249 26 26 ALA CB C 18.625 0.002 . 250 26 26 ALA N N 128.683 0.082 . 251 27 27 ASP H H 9.052 0.003 . 252 27 27 ASP HA H 4.243 0.006 . 253 27 27 ASP HB2 H 2.842 0.009 . 254 27 27 ASP HB3 H 2.730 0.005 . 255 27 27 ASP CA C 55.328 0.120 . 256 27 27 ASP CB C 38.855 0.005 . 257 27 27 ASP N N 114.069 0.089 . 258 28 28 LYS H H 7.545 0.003 . 259 28 28 LYS HA H 4.571 0.007 . 260 28 28 LYS HB2 H 1.771 0.001 . 261 28 28 LYS HB3 H 1.771 0.001 . 262 28 28 LYS HG2 H 1.391 0.013 . 263 28 28 LYS HG3 H 1.383 0.011 . 264 28 28 LYS HD2 H 1.566 0.004 . 265 28 28 LYS HD3 H 1.408 0.004 . 266 28 28 LYS HE2 H 2.829 0.008 . 267 28 28 LYS HE3 H 2.829 0.008 . 268 28 28 LYS CA C 56.232 0.035 . 269 28 28 LYS CB C 35.922 0.008 . 270 28 28 LYS CG C 24.831 0.006 . 271 28 28 LYS CD C 28.421 0.005 . 272 28 28 LYS CE C 41.734 0.005 . 273 28 28 LYS N N 117.763 0.088 . 274 29 29 VAL H H 8.368 0.012 . 275 29 29 VAL HA H 4.451 0.002 . 276 29 29 VAL HB H 2.576 0.010 . 277 29 29 VAL HG1 H 0.995 0.007 . 278 29 29 VAL HG2 H 1.304 0.007 . 279 29 29 VAL CA C 58.089 0.086 . 280 29 29 VAL CB C 31.745 0.006 . 281 29 29 VAL CG1 C 25.217 0.006 . 282 29 29 VAL CG2 C 20.581 0.004 . 283 29 29 VAL N N 114.212 0.088 . 284 30 30 PRO HA H 4.395 0.002 . 285 30 30 PRO HB2 H 1.959 0.017 . 286 30 30 PRO HB3 H 2.610 0.007 . 287 30 30 PRO HG2 H 2.067 0.017 . 288 30 30 PRO HG3 H 2.102 0.007 . 289 30 30 PRO HD2 H 3.540 0.002 . 290 30 30 PRO HD3 H 3.097 0.008 . 291 30 30 PRO CA C 66.083 0.006 . 292 30 30 PRO CB C 31.304 0.008 . 293 30 30 PRO CG C 27.233 0.006 . 294 30 30 PRO CD C 50.491 0.069 . 295 31 31 LYS H H 10.663 0.002 . 296 31 31 LYS HA H 4.007 0.007 . 297 31 31 LYS HB2 H 1.695 0.003 . 298 31 31 LYS HB3 H 1.536 0.009 . 299 31 31 LYS HG2 H 1.117 0.009 . 300 31 31 LYS HG3 H 0.891 0.007 . 301 31 31 LYS HD2 H 1.416 0.007 . 302 31 31 LYS HD3 H 1.312 0.008 . 303 31 31 LYS HE2 H 2.075 0.014 . 304 31 31 LYS HE3 H 1.858 0.017 . 305 31 31 LYS CA C 60.356 0.107 . 306 31 31 LYS CB C 32.279 0.002 . 307 31 31 LYS CG C 26.446 0.008 . 308 31 31 LYS CD C 29.560 0.008 . 309 31 31 LYS CE C 41.238 0.008 . 310 31 31 LYS N N 123.500 0.078 . 311 32 32 THR H H 10.283 0.013 . 312 32 32 THR HA H 3.988 0.004 . 313 32 32 THR HB H 4.160 0.008 . 314 32 32 THR HG1 H 7.753 0.002 . 315 32 32 THR HG2 H 0.921 0.005 . 316 32 32 THR CA C 67.678 0.008 . 317 32 32 THR CB C 68.897 0.008 . 318 32 32 THR CG2 C 22.221 0.008 . 319 32 32 THR N N 123.707 0.088 . 320 33 33 ALA H H 9.281 0.007 . 321 33 33 ALA HA H 4.037 0.009 . 322 33 33 ALA HB H 1.436 0.004 . 323 33 33 ALA CA C 55.867 0.070 . 324 33 33 ALA CB C 18.235 0.008 . 325 33 33 ALA N N 125.366 0.088 . 326 34 34 GLU H H 8.027 0.004 . 327 34 34 GLU HA H 4.509 0.008 . 328 34 34 GLU HB2 H 2.262 0.007 . 329 34 34 GLU HB3 H 1.750 0.004 . 330 34 34 GLU HG2 H 2.459 0.017 . 331 34 34 GLU HG3 H 2.028 0.010 . 332 34 34 GLU CA C 57.886 0.065 . 333 34 34 GLU CB C 27.925 0.007 . 334 34 34 GLU CG C 33.577 0.072 . 335 34 34 GLU N N 117.040 0.088 . 336 35 35 ASN H H 7.139 0.002 . 337 35 35 ASN HA H 4.054 0.004 . 338 35 35 ASN HB2 H 2.400 0.004 . 339 35 35 ASN HB3 H 2.931 0.005 . 340 35 35 ASN HD21 H 8.981 0.003 . 341 35 35 ASN HD22 H 6.797 0.003 . 342 35 35 ASN CA C 56.631 0.055 . 343 35 35 ASN CB C 39.465 0.069 . 344 35 35 ASN N N 115.398 0.056 . 345 35 35 ASN ND2 N 115.042 0.009 . 346 36 36 PHE H H 7.012 0.008 . 347 36 36 PHE HA H 4.109 0.012 . 348 36 36 PHE HB2 H 3.049 0.008 . 349 36 36 PHE HB3 H 2.956 0.003 . 350 36 36 PHE HD1 H 6.423 0.008 . 351 36 36 PHE HD2 H 6.423 0.008 . 352 36 36 PHE HE1 H 5.559 0.004 . 353 36 36 PHE HE2 H 5.559 0.004 . 354 36 36 PHE CA C 61.391 0.002 . 355 36 36 PHE CB C 40.013 0.002 . 356 36 36 PHE N N 117.607 0.054 . 357 37 37 ARG H H 8.935 0.010 . 358 37 37 ARG HA H 3.632 0.005 . 359 37 37 ARG HB2 H 1.943 0.014 . 360 37 37 ARG HB3 H 1.833 0.005 . 361 37 37 ARG HG2 H 1.495 0.011 . 362 37 37 ARG HG3 H 1.010 0.010 . 363 37 37 ARG HD2 H 3.534 0.005 . 364 37 37 ARG HD3 H 2.813 0.003 . 365 37 37 ARG HE H 8.907 0.002 . 366 37 37 ARG CA C 60.381 0.048 . 367 37 37 ARG CB C 29.860 0.006 . 368 37 37 ARG CD C 41.075 0.079 . 369 37 37 ARG N N 120.804 0.078 . 370 37 37 ARG NE N 118.446 0.006 . 371 38 38 ALA H H 8.687 0.003 . 372 38 38 ALA HA H 4.069 0.005 . 373 38 38 ALA HB H 1.239 0.006 . 374 38 38 ALA CA C 54.340 0.006 . 375 38 38 ALA CB C 18.235 0.006 . 376 38 38 ALA N N 118.869 0.006 . 377 39 39 LEU H H 8.173 0.017 . 378 39 39 LEU HA H 3.744 0.003 . 379 39 39 LEU HB2 H 1.359 0.010 . 380 39 39 LEU HB3 H -0.328 0.006 . 381 39 39 LEU HG H 1.754 0.005 . 382 39 39 LEU HD1 H 0.873 0.009 . 383 39 39 LEU HD2 H 0.533 0.002 . 384 39 39 LEU CA C 57.115 0.006 . 385 39 39 LEU CB C 41.026 0.099 . 386 39 39 LEU CG C 26.156 0.006 . 387 39 39 LEU CD1 C 26.654 0.008 . 388 39 39 LEU CD2 C 24.159 0.006 . 389 39 39 LEU N N 120.488 0.006 . 390 40 40 SER H H 7.900 0.006 . 391 40 40 SER HA H 4.444 0.003 . 392 40 40 SER HB2 H 4.227 0.011 . 393 40 40 SER HB3 H 3.529 0.007 . 394 40 40 SER HG H 3.437 0.003 . 395 40 40 SER CA C 62.334 0.006 . 396 40 40 SER CB C 62.884 0.103 . 397 40 40 SER N N 118.952 0.006 . 398 41 41 THR H H 7.974 0.009 . 399 41 41 THR HA H 4.288 0.005 . 400 41 41 THR HB H 4.472 0.009 . 401 41 41 THR HG1 H 6.692 0.028 . 402 41 41 THR HG2 H 1.319 0.007 . 403 41 41 THR CA C 62.810 0.091 . 404 41 41 THR CB C 69.221 0.006 . 405 41 41 THR CG2 C 22.342 0.006 . 406 41 41 THR N N 108.208 0.006 . 407 42 42 GLY H H 7.582 0.006 . 408 42 42 GLY HA2 H 3.870 0.014 . 409 42 42 GLY HA3 H 3.485 0.011 . 410 42 42 GLY CA C 45.757 0.006 . 411 42 42 GLY N N 108.122 0.006 . 412 43 43 GLU H H 8.009 0.004 . 413 43 43 GLU HA H 4.120 0.009 . 414 43 43 GLU HB2 H 2.202 0.007 . 415 43 43 GLU HB3 H 2.044 0.008 . 416 43 43 GLU HG2 H 2.133 0.014 . 417 43 43 GLU HG3 H 1.790 0.007 . 418 43 43 GLU CA C 58.357 0.006 . 419 43 43 GLU CB C 29.942 0.002 . 420 43 43 GLU CG C 35.210 0.013 . 421 43 43 GLU N N 118.454 0.006 . 422 44 44 LYS H H 9.102 0.001 . 423 44 44 LYS HA H 4.281 0.008 . 424 44 44 LYS HB2 H 1.612 0.009 . 425 44 44 LYS HB3 H 0.896 0.003 . 426 44 44 LYS HG2 H 1.037 0.004 . 427 44 44 LYS HG3 H 1.037 0.004 . 428 44 44 LYS HD2 H 1.440 0.006 . 429 44 44 LYS HD3 H 1.440 0.006 . 430 44 44 LYS HE2 H 2.828 0.007 . 431 44 44 LYS HE3 H 2.673 0.002 . 432 44 44 LYS CA C 54.120 0.006 . 433 44 44 LYS CB C 30.296 0.006 . 434 44 44 LYS CG C 24.767 0.006 . 435 44 44 LYS CD C 27.283 0.006 . 436 44 44 LYS CE C 42.257 0.006 . 437 44 44 LYS N N 118.055 0.006 . 438 45 45 GLY H H 7.939 0.001 . 439 45 45 GLY HA2 H 4.298 0.008 . 440 45 45 GLY HA3 H 3.547 0.011 . 441 45 45 GLY CA C 44.531 0.129 . 442 45 45 GLY N N 105.305 0.006 . 443 46 46 PHE H H 6.413 0.001 . 444 46 46 PHE HA H 4.624 0.001 . 445 46 46 PHE HB2 H 3.114 0.005 . 446 46 46 PHE HB3 H 2.706 0.001 . 447 46 46 PHE HD1 H 6.614 0.006 . 448 46 46 PHE HD2 H 6.614 0.006 . 449 46 46 PHE HE1 H 6.975 0.009 . 450 46 46 PHE HE2 H 6.975 0.009 . 451 46 46 PHE HZ H 7.073 0.012 . 452 46 46 PHE CA C 53.881 0.006 . 453 46 46 PHE CB C 39.468 0.068 . 454 46 46 PHE N N 113.461 0.006 . 455 47 47 GLY H H 7.686 0.006 . 456 47 47 GLY HA2 H 4.343 0.010 . 457 47 47 GLY HA3 H 2.528 0.008 . 458 47 47 GLY CA C 45.458 0.110 . 459 47 47 GLY N N 104.416 0.006 . 460 48 48 TYR H H 6.887 0.018 . 461 48 48 TYR HA H 4.208 0.007 . 462 48 48 TYR HB2 H 2.645 0.005 . 463 48 48 TYR HB3 H 2.819 0.006 . 464 48 48 TYR HD1 H 6.764 0.022 . 465 48 48 TYR HD2 H 6.764 0.022 . 466 48 48 TYR HE1 H 6.160 0.005 . 467 48 48 TYR HE2 H 6.160 0.005 . 468 48 48 TYR CA C 57.039 0.046 . 469 48 48 TYR CB C 38.419 0.004 . 470 48 48 TYR N N 113.530 0.006 . 471 49 49 LYS H H 8.474 0.001 . 472 49 49 LYS HA H 3.595 0.004 . 473 49 49 LYS HB2 H 1.978 0.012 . 474 49 49 LYS HB3 H 1.592 0.006 . 475 49 49 LYS HG2 H 1.307 0.013 . 476 49 49 LYS HG3 H 1.241 0.011 . 477 49 49 LYS HD2 H 1.935 0.007 . 478 49 49 LYS HD3 H 1.767 0.006 . 479 49 49 LYS HE2 H 3.233 0.004 . 480 49 49 LYS HE3 H 3.057 0.007 . 481 49 49 LYS CA C 60.882 0.006 . 482 49 49 LYS CB C 31.168 0.008 . 483 49 49 LYS CG C 25.346 0.006 . 484 49 49 LYS CD C 29.734 0.005 . 485 49 49 LYS CE C 41.825 0.006 . 486 49 49 LYS N N 124.631 0.006 . 487 50 50 GLY H H 9.482 0.001 . 488 50 50 GLY HA2 H 4.392 0.007 . 489 50 50 GLY HA3 H 3.698 0.006 . 490 50 50 GLY CA C 45.041 0.003 . 491 50 50 GLY N N 117.591 0.006 . 492 51 51 SER H H 8.397 0.006 . 493 51 51 SER HA H 4.658 0.006 . 494 51 51 SER HB2 H 4.317 0.013 . 495 51 51 SER HB3 H 4.199 0.007 . 496 51 51 SER HG H 4.885 0.006 . 497 51 51 SER CA C 58.682 0.006 . 498 51 51 SER CB C 64.607 0.070 . 499 51 51 SER N N 116.156 0.006 . 500 52 52 CYS H H 9.858 0.001 . 501 52 52 CYS HA H 5.895 0.010 . 502 52 52 CYS HB2 H 3.035 0.012 . 503 52 52 CYS HB3 H 3.036 0.014 . 504 52 52 CYS CA C 55.965 0.006 . 505 52 52 CYS CB C 31.719 0.006 . 506 52 52 CYS N N 114.800 0.006 . 507 53 53 PHE H H 8.702 0.001 . 508 53 53 PHE HA H 4.853 0.006 . 509 53 53 PHE HB2 H 2.882 0.013 . 510 53 53 PHE HB3 H 2.630 0.010 . 511 53 53 PHE HD1 H 6.896 0.004 . 512 53 53 PHE HD2 H 6.896 0.004 . 513 53 53 PHE HE1 H 7.187 0.009 . 514 53 53 PHE HE2 H 7.187 0.009 . 515 53 53 PHE HZ H 7.367 0.008 . 516 53 53 PHE CA C 58.083 0.006 . 517 53 53 PHE CB C 38.728 0.006 . 518 53 53 PHE N N 122.839 0.006 . 519 54 54 HIS H H 7.623 0.006 . 520 54 54 HIS HA H 4.706 0.003 . 521 54 54 HIS HB2 H 3.272 0.006 . 522 54 54 HIS HB3 H 2.819 0.009 . 523 54 54 HIS HD2 H 6.843 0.004 . 524 54 54 HIS CA C 56.985 0.006 . 525 54 54 HIS CB C 31.344 0.002 . 526 54 54 HIS N N 119.944 0.006 . 527 55 55 ARG H H 7.031 0.011 . 528 55 55 ARG HA H 5.099 0.008 . 529 55 55 ARG HB2 H 1.383 0.005 . 530 55 55 ARG HB3 H 1.245 0.004 . 531 55 55 ARG HG2 H 1.559 0.007 . 532 55 55 ARG HG3 H 1.216 0.016 . 533 55 55 ARG HD2 H 3.164 0.006 . 534 55 55 ARG HD3 H 3.121 0.017 . 535 55 55 ARG HE H 7.114 0.006 . 536 55 55 ARG CA C 54.703 0.004 . 537 55 55 ARG CB C 33.771 0.054 . 538 55 55 ARG CG C 28.017 0.006 . 539 55 55 ARG CD C 43.502 0.088 . 540 55 55 ARG N N 122.758 0.006 . 541 55 55 ARG NE N 83.912 0.006 . 542 56 56 ILE H H 9.166 0.004 . 543 56 56 ILE HA H 4.589 0.010 . 544 56 56 ILE HB H 1.574 0.011 . 545 56 56 ILE HG12 H 1.556 0.014 . 546 56 56 ILE HG13 H 0.979 0.015 . 547 56 56 ILE HG2 H 1.003 0.006 . 548 56 56 ILE HD1 H 0.847 0.004 . 549 56 56 ILE CA C 61.451 0.006 . 550 56 56 ILE CB C 41.632 0.037 . 551 56 56 ILE CG1 C 27.118 0.005 . 552 56 56 ILE CG2 C 17.572 0.006 . 553 56 56 ILE CD1 C 14.283 0.006 . 554 56 56 ILE N N 126.170 0.006 . 555 57 57 ILE H H 8.718 0.009 . 556 57 57 ILE HA H 5.197 0.009 . 557 57 57 ILE HB H 1.906 0.006 . 558 57 57 ILE HG12 H 1.454 0.008 . 559 57 57 ILE HG13 H 1.148 0.007 . 560 57 57 ILE HG2 H 1.111 0.006 . 561 57 57 ILE HD1 H 0.917 0.008 . 562 57 57 ILE CA C 57.614 0.170 . 563 57 57 ILE CB C 40.015 0.006 . 564 57 57 ILE CG1 C 17.469 0.006 . 565 57 57 ILE CG2 C 17.497 0.006 . 566 57 57 ILE CD1 C 13.444 0.006 . 567 57 57 ILE N N 127.731 0.006 . 568 58 58 PRO HA H 4.324 0.013 . 569 58 58 PRO HB2 H 1.811 0.025 . 570 58 58 PRO HB3 H 2.196 0.011 . 571 58 58 PRO HG2 H 2.037 0.007 . 572 58 58 PRO HG3 H 1.863 0.013 . 573 58 58 PRO HD2 H 4.002 0.011 . 574 58 58 PRO HD3 H 3.448 0.005 . 575 58 58 PRO CA C 62.949 0.051 . 576 58 58 PRO CB C 31.911 0.006 . 577 58 58 PRO CG C 26.912 0.003 . 578 58 58 PRO CD C 52.130 0.063 . 579 59 59 GLY H H 9.679 0.006 . 580 59 59 GLY HA2 H 4.037 0.004 . 581 59 59 GLY HA3 H 3.794 0.012 . 582 59 59 GLY CA C 45.178 0.006 . 583 59 59 GLY N N 113.877 0.006 . 584 60 60 PHE H H 8.095 0.006 . 585 60 60 PHE HA H 5.093 0.011 . 586 60 60 PHE HB2 H 3.152 0.007 . 587 60 60 PHE HB3 H 3.028 0.005 . 588 60 60 PHE HD1 H 7.271 0.008 . 589 60 60 PHE HD2 H 7.271 0.008 . 590 60 60 PHE HE1 H 7.156 0.013 . 591 60 60 PHE HE2 H 7.156 0.013 . 592 60 60 PHE CA C 56.745 0.089 . 593 60 60 PHE CB C 39.693 0.063 . 594 60 60 PHE N N 118.955 0.006 . 595 61 61 MET H H 8.088 0.001 . 596 61 61 MET HA H 5.311 0.010 . 597 61 61 MET HB2 H 1.399 0.014 . 598 61 61 MET HB3 H 2.149 0.010 . 599 61 61 MET HE H 1.260 0.008 . 600 61 61 MET CA C 54.802 0.006 . 601 61 61 MET CB C 34.892 0.006 . 602 61 61 MET CG C 28.910 0.006 . 603 61 61 MET CE C 18.295 0.006 . 604 61 61 MET N N 110.963 0.006 . 605 62 62 CYS H H 8.474 0.001 . 606 62 62 CYS HA H 4.873 0.004 . 607 62 62 CYS HB2 H 2.969 0.012 . 608 62 62 CYS HB3 H 2.488 0.010 . 609 62 62 CYS HG H 1.618 0.018 . 610 62 62 CYS CA C 57.335 0.006 . 611 62 62 CYS N N 114.627 0.006 . 612 63 63 GLN H H 9.651 0.003 . 613 63 63 GLN HA H 5.376 0.007 . 614 63 63 GLN HB2 H 2.145 0.004 . 615 63 63 GLN HB3 H 1.794 0.008 . 616 63 63 GLN HG2 H 2.534 0.013 . 617 63 63 GLN HG3 H 1.980 0.006 . 618 63 63 GLN HE21 H 6.979 0.006 . 619 63 63 GLN HE22 H 6.979 0.006 . 620 63 63 GLN CA C 54.524 0.104 . 621 63 63 GLN CB C 30.400 0.006 . 622 63 63 GLN CG C 33.050 0.050 . 623 63 63 GLN N N 126.463 0.006 . 624 63 63 GLN NE2 N 109.141 0.006 . 625 64 64 GLY H H 7.352 0.010 . 626 64 64 GLY HA2 H 3.394 1.041 . 627 64 64 GLY HA3 H 4.711 0.006 . 628 64 64 GLY CA C 44.400 0.010 . 629 64 64 GLY N N 110.531 0.006 . 630 65 65 GLY H H 9.292 0.006 . 631 65 65 GLY HA2 H 3.784 0.001 . 632 65 65 GLY HA3 H 4.773 0.001 . 633 65 65 GLY CA C 46.425 0.005 . 634 65 65 GLY N N 105.572 0.006 . 635 66 66 ASP H H 9.910 0.006 . 636 66 66 ASP HA H 4.290 0.007 . 637 66 66 ASP HB2 H 2.929 0.005 . 638 66 66 ASP HB3 H 1.699 0.006 . 639 66 66 ASP CA C 51.505 0.006 . 640 66 66 ASP CB C 38.702 0.037 . 641 66 66 ASP N N 123.656 0.006 . 642 67 67 PHE H H 6.624 0.001 . 643 67 67 PHE HA H 4.597 0.004 . 644 67 67 PHE HB2 H 3.920 0.005 . 645 67 67 PHE HB3 H 2.570 0.008 . 646 67 67 PHE HD1 H 7.180 0.009 . 647 67 67 PHE HD2 H 7.180 0.009 . 648 67 67 PHE HE1 H 7.318 0.005 . 649 67 67 PHE HE2 H 7.318 0.005 . 650 67 67 PHE HZ H 7.411 0.008 . 651 67 67 PHE CA C 55.784 0.006 . 652 67 67 PHE CB C 39.357 0.038 . 653 67 67 PHE N N 115.914 0.006 . 654 68 68 THR H H 7.320 0.006 . 655 68 68 THR HA H 4.638 0.004 . 656 68 68 THR HB H 4.096 0.008 . 657 68 68 THR HG2 H 0.679 0.010 . 658 68 68 THR CA C 61.621 0.006 . 659 68 68 THR CB C 68.789 0.097 . 660 68 68 THR CG2 C 22.780 0.006 . 661 68 68 THR N N 108.853 0.006 . 662 69 69 ARG H H 8.655 0.006 . 663 69 69 ARG HA H 4.362 0.010 . 664 69 69 ARG HB2 H 1.872 0.004 . 665 69 69 ARG HB3 H 1.602 0.007 . 666 69 69 ARG HG2 H 1.459 0.011 . 667 69 69 ARG HG3 H 1.369 0.006 . 668 69 69 ARG HD2 H 3.055 0.006 . 669 69 69 ARG HD3 H 2.944 0.005 . 670 69 69 ARG CA C 55.028 0.006 . 671 69 69 ARG CB C 31.703 0.006 . 672 69 69 ARG CG C 26.514 0.006 . 673 69 69 ARG CD C 42.942 0.006 . 674 69 69 ARG N N 121.780 0.006 . 675 70 70 HIS H H 6.838 0.006 . 676 70 70 HIS HA H 4.398 0.009 . 677 70 70 HIS HB2 H 3.219 0.002 . 678 70 70 HIS HB3 H 3.219 0.002 . 679 70 70 HIS HD2 H 6.650 0.004 . 680 70 70 HIS CA C 57.135 0.006 . 681 70 70 HIS CB C 28.434 0.006 . 682 70 70 HIS N N 112.009 0.006 . 683 71 71 ASN H H 7.519 0.006 . 684 71 71 ASN HA H 4.595 0.003 . 685 71 71 ASN HB2 H 3.138 0.005 . 686 71 71 ASN HB3 H 2.655 0.009 . 687 71 71 ASN HD21 H 7.630 0.006 . 688 71 71 ASN HD22 H 6.778 0.006 . 689 71 71 ASN CA C 52.160 0.006 . 690 71 71 ASN CB C 38.707 0.006 . 691 71 71 ASN N N 112.340 0.006 . 692 71 71 ASN ND2 N 110.308 0.008 . 693 72 72 GLY H H 9.619 0.001 . 694 72 72 GLY HA2 H 4.399 0.004 . 695 72 72 GLY HA3 H 3.165 0.013 . 696 72 72 GLY CA C 44.573 0.007 . 697 72 72 GLY N N 110.239 0.006 . 698 73 73 THR H H 7.930 0.006 . 699 73 73 THR HA H 4.487 0.009 . 700 73 73 THR HB H 4.252 0.007 . 701 73 73 THR HG1 H 5.773 0.006 . 702 73 73 THR HG2 H 1.024 0.005 . 703 73 73 THR CA C 62.070 0.006 . 704 73 73 THR CB C 70.762 0.006 . 705 73 73 THR CG2 C 20.925 0.006 . 706 73 73 THR N N 111.802 0.006 . 707 74 74 GLY H H 8.669 0.006 . 708 74 74 GLY HA2 H 4.466 0.015 . 709 74 74 GLY HA3 H 3.464 0.005 . 710 74 74 GLY CA C 44.908 0.098 . 711 74 74 GLY N N 113.668 0.006 . 712 75 75 GLY H H 8.066 0.002 . 713 75 75 GLY HA2 H 4.551 0.014 . 714 75 75 GLY HA3 H 2.537 0.003 . 715 75 75 GLY CA C 43.037 0.067 . 716 75 75 GLY N N 108.813 0.006 . 717 76 76 LYS H H 6.981 0.001 . 718 76 76 LYS HA H 4.585 0.001 . 719 76 76 LYS HB2 H 1.547 0.003 . 720 76 76 LYS HB3 H 1.887 0.013 . 721 76 76 LYS HG2 H 0.976 0.006 . 722 76 76 LYS HG3 H 0.916 0.010 . 723 76 76 LYS HD2 H 1.195 0.006 . 724 76 76 LYS HD3 H 1.198 0.011 . 725 76 76 LYS HE2 H 2.170 0.004 . 726 76 76 LYS HE3 H 1.508 0.019 . 727 76 76 LYS CA C 55.707 0.006 . 728 76 76 LYS CB C 34.515 0.051 . 729 76 76 LYS CG C 23.270 0.006 . 730 76 76 LYS CD C 29.256 0.006 . 731 76 76 LYS CE C 41.093 0.158 . 732 76 76 LYS N N 115.526 0.006 . 733 77 77 SER HA H 5.185 0.009 . 734 77 77 SER HB2 H 4.247 0.010 . 735 77 77 SER HB3 H 4.247 0.010 . 736 77 77 SER HG H 5.102 0.003 . 737 77 77 SER CA C 56.816 0.006 . 738 77 77 SER CB C 69.687 0.006 . 739 77 77 SER N N 114.105 0.006 . 740 78 78 ILE H H 8.557 0.001 . 741 78 78 ILE HA H 4.170 0.007 . 742 78 78 ILE HB H 1.700 0.010 . 743 78 78 ILE HG12 H 0.644 0.011 . 744 78 78 ILE HG13 H -0.470 0.005 . 745 78 78 ILE HG2 H 0.715 0.005 . 746 78 78 ILE HD1 H 0.475 0.005 . 747 78 78 ILE CA C 63.517 0.000 . 748 78 78 ILE CB C 37.308 0.024 . 749 78 78 ILE CG1 C 22.957 0.014 . 750 78 78 ILE CG2 C 17.477 0.006 . 751 78 78 ILE CD1 C 14.024 0.006 . 752 78 78 ILE N N 110.963 0.006 . 753 79 79 TYR H H 8.007 0.006 . 754 79 79 TYR HA H 4.667 0.008 . 755 79 79 TYR HB2 H 2.328 0.004 . 756 79 79 TYR HB3 H 3.428 0.007 . 757 79 79 TYR HD1 H 6.410 0.004 . 758 79 79 TYR HD2 H 6.410 0.004 . 759 79 79 TYR HE1 H 6.086 0.007 . 760 79 79 TYR HE2 H 6.086 0.007 . 761 79 79 TYR CA C 56.147 0.006 . 762 79 79 TYR CB C 38.725 0.129 . 763 79 79 TYR N N 120.472 0.006 . 764 80 80 GLY H H 7.115 0.006 . 765 80 80 GLY HA2 H 4.602 0.006 . 766 80 80 GLY HA3 H 3.790 0.005 . 767 80 80 GLY CA C 43.748 0.053 . 768 80 80 GLY N N 106.402 0.006 . 769 81 81 GLU H H 8.878 0.006 . 770 81 81 GLU HA H 3.946 0.020 . 771 81 81 GLU HB2 H 2.071 0.004 . 772 81 81 GLU HB3 H 2.070 0.004 . 773 81 81 GLU HG2 H 2.345 0.012 . 774 81 81 GLU HG3 H 2.242 0.012 . 775 81 81 GLU CA C 60.138 0.006 . 776 81 81 GLU CB C 30.108 0.006 . 777 81 81 GLU CG C 36.450 0.105 . 778 81 81 GLU N N 122.838 0.006 . 779 82 82 LYS H H 7.799 0.001 . 780 82 82 LYS HA H 5.525 0.028 . 781 82 82 LYS HB2 H 1.645 0.015 . 782 82 82 LYS HB3 H 1.557 0.005 . 783 82 82 LYS HG2 H 1.244 0.013 . 784 82 82 LYS HG3 H 1.244 0.013 . 785 82 82 LYS HD2 H 1.508 0.006 . 786 82 82 LYS HD3 H 1.546 0.006 . 787 82 82 LYS HE2 H 2.909 0.006 . 788 82 82 LYS HE3 H 2.908 0.006 . 789 82 82 LYS CA C 53.775 0.112 . 790 82 82 LYS CB C 36.311 0.006 . 791 82 82 LYS CG C 24.278 0.006 . 792 82 82 LYS CD C 28.990 0.006 . 793 82 82 LYS CE C 42.004 0.006 . 794 83 83 PHE H H 9.147 0.006 . 795 83 83 PHE HA H 4.945 0.005 . 796 83 83 PHE HB2 H 3.015 0.004 . 797 83 83 PHE HB3 H 3.015 0.004 . 798 83 83 PHE HD1 H 7.325 0.019 . 799 83 83 PHE HD2 H 7.325 0.019 . 800 83 83 PHE HE1 H 7.512 0.008 . 801 83 83 PHE HE2 H 7.512 0.008 . 802 83 83 PHE HZ H 7.388 0.002 . 803 83 83 PHE CA C 55.737 0.006 . 804 83 83 PHE CB C 41.294 0.006 . 805 83 83 PHE N N 116.432 0.006 . 806 84 84 GLU H H 9.252 0.003 . 807 84 84 GLU HA H 3.802 0.002 . 808 84 84 GLU HB2 H 2.018 0.005 . 809 84 84 GLU HB3 H 1.831 0.009 . 810 84 84 GLU HG2 H 2.279 0.005 . 811 84 84 GLU HG3 H 2.049 0.010 . 812 84 84 GLU CA C 56.197 0.006 . 813 84 84 GLU CB C 29.105 0.015 . 814 84 84 GLU CG C 35.276 0.089 . 815 84 84 GLU N N 119.352 0.006 . 816 85 85 ASP H H 8.593 0.001 . 817 85 85 ASP HA H 4.226 0.006 . 818 85 85 ASP HB2 H 2.402 0.005 . 819 85 85 ASP HB3 H 1.916 0.004 . 820 85 85 ASP CA C 53.974 0.096 . 821 85 85 ASP CB C 40.785 0.044 . 822 85 85 ASP N N 118.583 0.006 . 823 86 86 GLU H H 9.461 0.002 . 824 86 86 GLU HA H 3.795 0.006 . 825 86 86 GLU HB2 H 2.121 0.012 . 826 86 86 GLU HB3 H 1.826 0.004 . 827 86 86 GLU HG2 H 2.357 0.001 . 828 86 86 GLU HG3 H 2.357 0.001 . 829 86 86 GLU CA C 60.273 0.104 . 830 86 86 GLU CB C 31.639 0.006 . 831 86 86 GLU CG C 35.114 0.006 . 832 86 86 GLU N N 131.488 0.006 . 833 87 87 ASN H H 7.044 0.002 . 834 87 87 ASN HA H 4.130 0.006 . 835 87 87 ASN HB2 H 2.739 0.006 . 836 87 87 ASN HB3 H 3.449 0.006 . 837 87 87 ASN HD21 H 7.956 0.003 . 838 87 87 ASN HD22 H 6.891 0.005 . 839 87 87 ASN CA C 52.589 0.006 . 840 87 87 ASN CB C 39.349 0.076 . 841 87 87 ASN N N 106.549 0.006 . 842 87 87 ASN ND2 N 116.687 0.004 . 843 88 88 PHE H H 8.319 0.013 . 844 88 88 PHE HA H 5.927 0.004 . 845 88 88 PHE HB2 H 3.528 0.007 . 846 88 88 PHE HB3 H 2.534 0.008 . 847 88 88 PHE HD1 H 7.252 0.009 . 848 88 88 PHE HD2 H 7.252 0.009 . 849 88 88 PHE HE1 H 6.858 0.009 . 850 88 88 PHE HE2 H 6.858 0.009 . 851 88 88 PHE CA C 55.688 0.006 . 852 88 88 PHE CB C 38.820 0.079 . 853 88 88 PHE N N 112.731 0.006 . 854 89 89 ILE H H 8.302 0.001 . 855 89 89 ILE HA H 3.652 0.009 . 856 89 89 ILE HB H 1.543 0.004 . 857 89 89 ILE HG12 H 1.481 0.009 . 858 89 89 ILE HG13 H 1.148 0.012 . 859 89 89 ILE HG2 H 0.842 0.007 . 860 89 89 ILE HD1 H 0.904 0.009 . 861 89 89 ILE CA C 64.887 0.092 . 862 89 89 ILE CB C 38.939 0.081 . 863 89 89 ILE CG1 C 29.236 0.004 . 864 89 89 ILE CG2 C 16.828 0.006 . 865 89 89 ILE CD1 C 13.560 0.006 . 866 89 89 ILE N N 119.556 0.006 . 867 90 90 LEU H H 7.746 0.002 . 868 90 90 LEU HA H 4.456 0.003 . 869 90 90 LEU HB2 H 1.816 0.006 . 870 90 90 LEU HB3 H 1.367 0.008 . 871 90 90 LEU HG H 1.447 0.011 . 872 90 90 LEU HD1 H 0.750 0.006 . 873 90 90 LEU HD2 H 0.649 0.009 . 874 90 90 LEU CA C 54.185 0.006 . 875 90 90 LEU CB C 41.910 0.072 . 876 90 90 LEU CG C 27.021 0.006 . 877 90 90 LEU CD1 C 26.708 0.080 . 878 90 90 LEU CD2 C 22.451 0.010 . 879 90 90 LEU N N 116.951 0.006 . 880 91 91 LYS H H 8.057 0.002 . 881 91 91 LYS HA H 4.628 0.009 . 882 91 91 LYS HB2 H 1.539 0.009 . 883 91 91 LYS HB3 H 2.265 0.001 . 884 91 91 LYS HG2 H 1.446 0.004 . 885 91 91 LYS HG3 H 1.344 0.006 . 886 91 91 LYS HD2 H 1.619 0.004 . 887 91 91 LYS HD3 H 1.569 0.010 . 888 91 91 LYS HE2 H 3.006 0.009 . 889 91 91 LYS HE3 H 3.001 0.001 . 890 91 91 LYS CA C 54.315 0.006 . 891 91 91 LYS CB C 34.550 0.014 . 892 91 91 LYS CG C 25.726 0.006 . 893 91 91 LYS CD C 28.125 0.003 . 894 91 91 LYS CE C 42.294 0.006 . 895 91 91 LYS N N 118.722 0.000 . 896 92 92 HIS H H 10.706 0.006 . 897 92 92 HIS HA H 4.342 0.005 . 898 92 92 HIS HB2 H 2.880 0.005 . 899 92 92 HIS HB3 H 3.144 0.008 . 900 92 92 HIS HD1 H 12.134 0.001 . 901 92 92 HIS HD2 H 6.745 0.009 . 902 92 92 HIS HE1 H 8.051 0.016 . 903 92 92 HIS CA C 56.756 0.006 . 904 92 92 HIS CB C 25.895 0.010 . 905 92 92 HIS N N 122.221 0.006 . 906 93 93 THR H H 7.261 0.004 . 907 93 93 THR HA H 4.004 0.009 . 908 93 93 THR HB H 4.439 0.012 . 909 93 93 THR HG2 H 1.206 0.008 . 910 93 93 THR CA C 63.018 0.006 . 911 93 93 THR CB C 69.341 0.006 . 912 93 93 THR CG2 C 22.595 0.006 . 913 93 93 THR N N 110.178 0.006 . 914 94 94 GLY H H 7.489 0.004 . 915 94 94 GLY HA2 H 4.368 0.010 . 916 94 94 GLY HA3 H 3.640 0.005 . 917 94 94 GLY CA C 45.454 0.048 . 918 94 94 GLY N N 106.990 0.006 . 919 95 95 PRO HA H 3.804 0.008 . 920 95 95 PRO HB2 H 1.840 0.011 . 921 95 95 PRO HB3 H 2.016 0.005 . 922 95 95 PRO HG2 H 2.122 0.009 . 923 95 95 PRO HG3 H 1.833 0.006 . 924 95 95 PRO HD2 H 3.607 0.010 . 925 95 95 PRO HD3 H 3.393 0.007 . 926 95 95 PRO CA C 62.539 0.006 . 927 95 95 PRO CB C 31.959 0.006 . 928 95 95 PRO CG C 27.321 0.006 . 929 95 95 PRO CD C 49.688 0.059 . 930 96 96 GLY H H 9.271 0.002 . 931 96 96 GLY HA2 H 4.569 0.010 . 932 96 96 GLY HA3 H 3.331 0.004 . 933 96 96 GLY CA C 44.829 0.006 . 934 96 96 GLY N N 109.908 0.006 . 935 97 97 ILE H H 6.765 0.003 . 936 97 97 ILE HA H 4.115 0.006 . 937 97 97 ILE HB H 2.226 0.005 . 938 97 97 ILE HG12 H 1.805 0.007 . 939 97 97 ILE HG13 H 1.651 0.013 . 940 97 97 ILE HG2 H 0.981 0.002 . 941 97 97 ILE HD1 H 0.966 0.016 . 942 97 97 ILE CA C 59.311 0.031 . 943 97 97 ILE CB C 37.758 0.006 . 944 97 97 ILE CG1 C 28.868 0.006 . 945 97 97 ILE CG2 C 20.192 0.006 . 946 97 97 ILE CD1 C 8.988 0.006 . 947 97 97 ILE N N 121.176 0.006 . 948 98 98 LEU H H 7.872 0.008 . 949 98 98 LEU HA H 4.998 0.006 . 950 98 98 LEU HB2 H 0.151 0.015 . 951 98 98 LEU HB3 H 0.085 0.009 . 952 98 98 LEU HG H 0.404 0.020 . 953 98 98 LEU HD1 H -0.170 0.009 . 954 98 98 LEU HD2 H -0.601 0.014 . 955 98 98 LEU CA C 53.233 0.071 . 956 98 98 LEU CB C 43.625 0.091 . 957 98 98 LEU CG C 26.355 0.006 . 958 98 98 LEU CD1 C 24.144 0.008 . 959 98 98 LEU CD2 C 25.056 0.006 . 960 98 98 LEU N N 128.477 0.006 . 961 99 99 SER H H 8.285 0.002 . 962 99 99 SER HA H 5.316 0.005 . 963 99 99 SER HB2 H 3.094 0.158 . 964 99 99 SER HB3 H 2.863 0.030 . 965 99 99 SER CA C 54.909 0.006 . 966 99 99 SER CB C 65.380 0.072 . 967 99 99 SER N N 118.325 0.006 . 968 100 100 MET H H 8.544 0.003 . 969 100 100 MET HA H 5.259 0.008 . 970 100 100 MET HB2 H 2.568 0.008 . 971 100 100 MET HB3 H 2.289 0.009 . 972 100 100 MET HG2 H 2.792 0.010 . 973 100 100 MET HG3 H 2.429 0.008 . 974 100 100 MET HE H 2.079 0.004 . 975 100 100 MET CA C 53.800 0.059 . 976 100 100 MET CB C 30.960 0.006 . 977 100 100 MET CG C 31.929 0.034 . 978 100 100 MET CE C 16.109 0.006 . 979 100 100 MET N N 122.826 0.006 . 980 101 101 ALA H H 7.999 0.002 . 981 101 101 ALA HA H 4.276 0.022 . 982 101 101 ALA HB H 1.104 0.013 . 983 101 101 ALA CA C 51.498 0.125 . 984 101 101 ALA CB C 19.403 0.006 . 985 101 101 ALA N N 125.971 0.006 . 986 102 102 ASN H H 8.097 0.006 . 987 102 102 ASN HA H 4.576 0.011 . 988 102 102 ASN HB2 H 3.250 0.010 . 989 102 102 ASN HB3 H 2.894 0.019 . 990 102 102 ASN HD21 H 7.887 0.006 . 991 102 102 ASN HD22 H 6.162 0.006 . 992 102 102 ASN CA C 53.841 0.006 . 993 102 102 ASN CB C 40.379 0.081 . 994 102 102 ASN N N 113.207 0.006 . 995 102 102 ASN ND2 N 119.431 0.001 . 996 103 103 ALA H H 8.787 0.001 . 997 103 103 ALA HA H 4.785 0.007 . 998 103 103 ALA HB H 1.303 0.006 . 999 103 103 ALA CA C 50.154 0.006 . 1000 103 103 ALA CB C 19.029 0.006 . 1001 103 103 ALA N N 123.056 0.006 . 1002 104 104 GLY H H 8.111 0.006 . 1003 104 104 GLY HA2 H 4.596 0.006 . 1004 104 104 GLY HA3 H 3.713 0.011 . 1005 104 104 GLY CA C 43.409 0.086 . 1006 104 104 GLY N N 108.942 0.006 . 1007 105 105 PRO HA H 4.327 0.004 . 1008 105 105 PRO HB2 H 1.803 0.006 . 1009 105 105 PRO HB3 H 2.323 0.006 . 1010 105 105 PRO HG2 H 2.110 0.006 . 1011 105 105 PRO HG3 H 1.953 0.007 . 1012 105 105 PRO HD2 H 3.605 0.009 . 1013 105 105 PRO HD3 H 3.517 0.004 . 1014 105 105 PRO CA C 63.883 0.096 . 1015 105 105 PRO CB C 31.902 0.003 . 1016 105 105 PRO CG C 27.573 0.000 . 1017 105 105 PRO CD C 49.236 0.061 . 1018 106 106 ASN H H 8.866 0.002 . 1019 106 106 ASN HA H 3.997 0.006 . 1020 106 106 ASN HB2 H 3.084 0.009 . 1021 106 106 ASN HB3 H 2.662 0.006 . 1022 106 106 ASN HD21 H 7.740 0.003 . 1023 106 106 ASN HD22 H 7.081 0.002 . 1024 106 106 ASN CA C 54.103 0.104 . 1025 106 106 ASN CB C 36.992 0.122 . 1026 106 106 ASN N N 118.866 0.006 . 1027 106 106 ASN ND2 N 116.035 0.008 . 1028 107 107 THR H H 10.165 0.003 . 1029 107 107 THR HA H 4.434 0.014 . 1030 107 107 THR HB H 4.383 0.013 . 1031 107 107 THR HG1 H 4.673 0.011 . 1032 107 107 THR HG2 H 0.882 0.006 . 1033 107 107 THR CA C 60.040 0.006 . 1034 107 107 THR CG2 C 21.011 0.006 . 1035 107 107 THR N N 109.971 0.006 . 1036 108 108 ASN H H 7.349 0.006 . 1037 108 108 ASN HA H 4.215 0.013 . 1038 108 108 ASN HB2 H 1.544 0.012 . 1039 108 108 ASN HB3 H 0.920 0.008 . 1040 108 108 ASN HD21 H 5.749 0.006 . 1041 108 108 ASN HD22 H 7.446 0.006 . 1042 108 108 ASN CA C 55.448 0.006 . 1043 108 108 ASN CB C 39.600 0.001 . 1044 108 108 ASN N N 120.251 0.006 . 1045 108 108 ASN ND2 N 112.748 0.013 . 1046 109 109 GLY H H 9.188 0.017 . 1047 109 109 GLY HA2 H 4.595 0.007 . 1048 109 109 GLY HA3 H 3.627 0.007 . 1049 109 109 GLY CA C 46.039 0.006 . 1050 109 109 GLY N N 110.632 0.006 . 1051 110 110 SER H H 8.738 0.003 . 1052 110 110 SER HA H 4.698 0.009 . 1053 110 110 SER HB2 H 4.604 0.005 . 1054 110 110 SER HB3 H 4.382 0.017 . 1055 110 110 SER HG H 4.926 0.006 . 1056 110 110 SER CA C 57.454 0.006 . 1057 110 110 SER CB C 65.964 0.001 . 1058 110 110 SER N N 116.806 0.006 . 1059 111 111 GLN H H 8.388 0.006 . 1060 111 111 GLN HA H 5.168 0.005 . 1061 111 111 GLN HB2 H 2.199 0.009 . 1062 111 111 GLN HB3 H 2.069 0.006 . 1063 111 111 GLN HG2 H 2.433 0.009 . 1064 111 111 GLN HG3 H 1.843 0.009 . 1065 111 111 GLN HE21 H 7.299 0.003 . 1066 111 111 GLN HE22 H 6.186 0.003 . 1067 111 111 GLN CA C 57.494 0.006 . 1068 111 111 GLN CB C 31.632 0.006 . 1069 111 111 GLN CG C 35.244 0.094 . 1070 111 111 GLN N N 124.263 0.006 . 1071 111 111 GLN NE2 N 110.985 0.013 . 1072 112 112 PHE H H 8.058 0.006 . 1073 112 112 PHE HA H 5.714 0.014 . 1074 112 112 PHE HB2 H 3.279 0.009 . 1075 112 112 PHE HB3 H 3.279 0.009 . 1076 112 112 PHE HE1 H 6.769 0.020 . 1077 112 112 PHE HE2 H 6.769 0.020 . 1078 112 112 PHE CA C 55.447 0.068 . 1079 112 112 PHE CB C 43.000 0.006 . 1080 112 112 PHE N N 117.560 0.006 . 1081 113 113 PHE H H 9.795 0.005 . 1082 113 113 PHE HA H 5.670 0.007 . 1083 113 113 PHE HB2 H 2.885 0.012 . 1084 113 113 PHE HB3 H 2.832 0.010 . 1085 113 113 PHE HD1 H 6.817 0.012 . 1086 113 113 PHE HD2 H 6.817 0.012 . 1087 113 113 PHE HE1 H 6.750 0.007 . 1088 113 113 PHE HE2 H 6.750 0.007 . 1089 113 113 PHE HZ H 6.894 0.011 . 1090 113 113 PHE CA C 54.437 0.107 . 1091 113 113 PHE CB C 42.617 0.002 . 1092 113 113 PHE N N 116.199 0.006 . 1093 114 114 ILE H H 9.098 0.006 . 1094 114 114 ILE HA H 4.794 0.006 . 1095 114 114 ILE HB H 1.801 0.010 . 1096 114 114 ILE HG12 H 2.058 0.185 . 1097 114 114 ILE HG13 H 1.084 0.008 . 1098 114 114 ILE HG2 H 0.838 0.004 . 1099 114 114 ILE HD1 H 1.205 0.006 . 1100 114 114 ILE CA C 60.060 0.006 . 1101 114 114 ILE CB C 40.162 0.099 . 1102 114 114 ILE CG1 C 27.167 0.003 . 1103 114 114 ILE CD1 C 14.958 0.006 . 1104 114 114 ILE N N 118.391 0.006 . 1105 115 115 CYS H H 9.597 0.009 . 1106 115 115 CYS HA H 4.752 0.004 . 1107 115 115 CYS HB2 H 3.095 0.008 . 1108 115 115 CYS HB3 H 3.468 0.021 . 1109 115 115 CYS CA C 60.672 0.006 . 1110 115 115 CYS CB C 42.738 0.010 . 1111 115 115 CYS N N 125.271 0.006 . 1112 116 116 THR H H 8.947 0.006 . 1113 116 116 THR HA H 4.324 0.009 . 1114 116 116 THR HB H 4.425 0.012 . 1115 116 116 THR HG2 H 0.824 0.004 . 1116 116 116 THR CA C 60.720 0.067 . 1117 116 116 THR CB C 66.502 0.006 . 1118 116 116 THR N N 115.478 0.006 . 1119 117 117 ALA H H 7.602 0.008 . 1120 117 117 ALA HA H 4.358 0.006 . 1121 117 117 ALA HB H 1.412 0.007 . 1122 117 117 ALA CA C 50.511 0.108 . 1123 117 117 ALA CB C 22.608 0.006 . 1124 117 117 ALA N N 121.996 0.006 . 1125 118 118 LYS H H 8.690 0.002 . 1126 118 118 LYS HA H 3.779 0.003 . 1127 118 118 LYS HB2 H 1.959 0.010 . 1128 118 118 LYS HB3 H 1.632 0.007 . 1129 118 118 LYS HG2 H 1.504 0.010 . 1130 118 118 LYS HG3 H 1.500 0.007 . 1131 118 118 LYS HD2 H 1.743 0.006 . 1132 118 118 LYS HD3 H 1.743 0.006 . 1133 118 118 LYS HE2 H 3.016 0.007 . 1134 118 118 LYS HE3 H 3.016 0.007 . 1135 118 118 LYS CA C 57.664 0.006 . 1136 118 118 LYS CB C 32.499 0.002 . 1137 118 118 LYS CG C 24.577 0.006 . 1138 118 118 LYS CD C 29.529 0.000 . 1139 118 118 LYS CE C 41.735 0.006 . 1140 118 118 LYS N N 119.550 0.006 . 1141 119 119 THR H H 7.328 0.006 . 1142 119 119 THR HA H 3.623 0.005 . 1143 119 119 THR HB H 2.815 0.009 . 1144 119 119 THR HG1 H 3.054 0.019 . 1145 119 119 THR HG2 H 0.974 0.006 . 1146 119 119 THR CA C 57.088 0.103 . 1147 119 119 THR N N 118.759 0.006 . 1148 120 120 GLU H H 9.092 0.001 . 1149 120 120 GLU HA H 4.120 0.007 . 1150 120 120 GLU HB2 H 2.189 0.006 . 1151 120 120 GLU HB3 H 2.114 0.009 . 1152 120 120 GLU HG2 H 2.508 0.011 . 1153 120 120 GLU HG3 H 2.399 0.013 . 1154 120 120 GLU CA C 59.072 0.006 . 1155 120 120 GLU CG C 35.378 0.054 . 1156 120 120 GLU N N 124.407 0.006 . 1157 121 121 TRP H H 7.251 0.007 . 1158 121 121 TRP HA H 4.653 0.007 . 1159 121 121 TRP HB2 H 3.375 0.009 . 1160 121 121 TRP HB3 H 3.326 0.011 . 1161 121 121 TRP HD1 H 7.019 0.005 . 1162 121 121 TRP HE1 H 9.697 0.005 . 1163 121 121 TRP HE3 H 7.660 0.010 . 1164 121 121 TRP HZ2 H 6.607 0.020 . 1165 121 121 TRP HZ3 H 7.316 0.016 . 1166 121 121 TRP HH2 H 7.116 0.008 . 1167 121 121 TRP CA C 59.461 0.006 . 1168 121 121 TRP CB C 26.750 0.009 . 1169 121 121 TRP N N 117.495 0.006 . 1170 121 121 TRP NE1 N 129.802 0.006 . 1171 122 122 LEU H H 7.019 0.019 . 1172 122 122 LEU HA H 4.251 0.011 . 1173 122 122 LEU HB2 H 0.110 0.006 . 1174 122 122 LEU HB3 H 1.164 0.033 . 1175 122 122 LEU HG H 0.369 0.007 . 1176 122 122 LEU HD1 H 0.373 0.007 . 1177 122 122 LEU HD2 H 0.676 0.022 . 1178 122 122 LEU CA C 54.500 0.006 . 1179 122 122 LEU CB C 38.899 0.024 . 1180 122 122 LEU CG C 25.995 0.006 . 1181 122 122 LEU N N 119.528 0.006 . 1182 123 123 ASP H H 7.607 0.002 . 1183 123 123 ASP HA H 5.165 0.012 . 1184 123 123 ASP HB2 H 2.927 0.004 . 1185 123 123 ASP HB3 H 2.692 0.011 . 1186 123 123 ASP CA C 55.856 0.006 . 1187 123 123 ASP CB C 39.372 0.046 . 1188 123 123 ASP N N 121.832 0.006 . 1189 124 124 GLY H H 9.522 0.019 . 1190 124 124 GLY HA2 H 3.888 0.005 . 1191 124 124 GLY HA3 H 2.877 0.002 . 1192 124 124 GLY CA C 45.023 0.006 . 1193 124 124 GLY N N 110.836 0.006 . 1194 125 125 LYS H H 7.727 0.006 . 1195 125 125 LYS HA H 4.109 0.001 . 1196 125 125 LYS HB2 H 1.817 0.007 . 1197 125 125 LYS HB3 H 1.684 0.016 . 1198 125 125 LYS HG2 H 1.248 0.010 . 1199 125 125 LYS HG3 H 1.220 0.008 . 1200 125 125 LYS HD2 H 1.675 0.006 . 1201 125 125 LYS HD3 H 1.675 0.006 . 1202 125 125 LYS HE2 H 3.003 0.008 . 1203 125 125 LYS HE3 H 3.003 0.008 . 1204 125 125 LYS CA C 56.248 0.131 . 1205 125 125 LYS CB C 35.389 0.040 . 1206 125 125 LYS CD C 28.980 0.006 . 1207 125 125 LYS CE C 42.014 0.006 . 1208 125 125 LYS N N 115.016 0.006 . 1209 126 126 HIS H H 7.571 0.006 . 1210 126 126 HIS HA H 4.799 0.001 . 1211 126 126 HIS HB2 H 3.186 0.003 . 1212 126 126 HIS HB3 H 3.990 0.002 . 1213 126 126 HIS HD1 H 8.175 0.006 . 1214 126 126 HIS HD2 H 6.941 0.026 . 1215 126 126 HIS CA C 54.559 0.006 . 1216 126 126 HIS N N 119.223 0.006 . 1217 127 127 VAL H H 8.474 0.001 . 1218 127 127 VAL HA H 4.258 0.003 . 1219 127 127 VAL HB H 1.997 0.006 . 1220 127 127 VAL HG1 H 1.133 0.004 . 1221 127 127 VAL HG2 H 1.023 0.004 . 1222 127 127 VAL CA C 63.647 0.006 . 1223 127 127 VAL CB C 33.416 0.006 . 1224 127 127 VAL N N 124.730 0.006 . 1225 128 128 VAL H H 9.470 0.004 . 1226 128 128 VAL HA H 4.150 0.007 . 1227 128 128 VAL HB H 1.703 0.008 . 1228 128 128 VAL HG1 H 0.079 0.003 . 1229 128 128 VAL HG2 H 0.927 0.012 . 1230 128 128 VAL CB C 31.369 0.006 . 1231 128 128 VAL N N 132.814 0.006 . 1232 129 129 PHE H H 8.086 0.012 . 1233 129 129 PHE HA H 5.253 0.005 . 1234 129 129 PHE HB2 H 3.106 0.008 . 1235 129 129 PHE HB3 H 2.496 0.006 . 1236 129 129 PHE CA C 55.907 0.006 . 1237 129 129 PHE CB C 42.456 0.054 . 1238 129 129 PHE N N 117.478 0.006 . 1239 130 130 GLY H H 7.297 0.004 . 1240 130 130 GLY HA2 H 3.156 0.004 . 1241 130 130 GLY HA3 H 2.980 0.005 . 1242 130 130 GLY CA C 46.394 0.058 . 1243 130 130 GLY N N 110.497 0.006 . 1244 131 131 LYS H H 8.353 0.008 . 1245 131 131 LYS HA H 5.207 0.005 . 1246 131 131 LYS HB2 H 1.816 0.006 . 1247 131 131 LYS HB3 H 1.818 0.007 . 1248 131 131 LYS HG2 H 1.498 0.006 . 1249 131 131 LYS HG3 H 1.039 0.005 . 1250 131 131 LYS HD2 H 1.773 0.015 . 1251 131 131 LYS HD3 H 1.676 0.010 . 1252 131 131 LYS HE2 H 2.967 0.012 . 1253 131 131 LYS HE3 H 2.965 0.007 . 1254 131 131 LYS CA C 54.795 0.062 . 1255 131 131 LYS CB C 35.852 0.006 . 1256 131 131 LYS CD C 29.339 0.010 . 1257 131 131 LYS CE C 41.917 0.127 . 1258 131 131 LYS N N 115.059 0.006 . 1259 132 132 VAL H H 9.015 0.011 . 1260 132 132 VAL HA H 3.888 0.010 . 1261 132 132 VAL HB H 1.911 0.002 . 1262 132 132 VAL HG1 H 0.588 0.005 . 1263 132 132 VAL HG2 H 1.031 0.004 . 1264 132 132 VAL CA C 63.947 0.020 . 1265 132 132 VAL CB C 32.547 0.006 . 1266 132 132 VAL CG2 C 22.931 0.006 . 1267 132 132 VAL N N 123.802 0.006 . 1268 133 133 LYS H H 9.469 0.002 . 1269 133 133 LYS HA H 4.424 0.007 . 1270 133 133 LYS HB2 H 1.709 0.014 . 1271 133 133 LYS HB3 H 1.636 0.005 . 1272 133 133 LYS HG2 H 1.443 0.003 . 1273 133 133 LYS HG3 H 1.301 0.010 . 1274 133 133 LYS HD2 H 1.620 0.006 . 1275 133 133 LYS HD3 H 1.620 0.006 . 1276 133 133 LYS HE2 H 2.951 0.008 . 1277 133 133 LYS HE3 H 2.951 0.008 . 1278 133 133 LYS CA C 56.659 0.006 . 1279 133 133 LYS CB C 33.867 0.066 . 1280 133 133 LYS CG C 24.588 0.010 . 1281 133 133 LYS CE C 41.326 0.006 . 1282 133 133 LYS N N 131.324 0.006 . 1283 134 134 GLU H H 7.543 0.002 . 1284 134 134 GLU HA H 4.559 0.006 . 1285 134 134 GLU HB2 H 1.946 0.005 . 1286 134 134 GLU HB3 H 1.850 0.007 . 1287 134 134 GLU HG2 H 2.182 0.009 . 1288 134 134 GLU HG3 H 2.151 0.012 . 1289 134 134 GLU CA C 55.148 0.006 . 1290 134 134 GLU CB C 32.736 0.027 . 1291 134 134 GLU CG C 36.572 0.002 . 1292 134 134 GLU N N 118.178 0.006 . 1293 135 135 GLY H H 8.693 0.006 . 1294 135 135 GLY HA2 H 4.731 0.009 . 1295 135 135 GLY HA3 H 3.980 0.003 . 1296 135 135 GLY CA C 45.867 0.030 . 1297 135 135 GLY N N 107.767 0.006 . 1298 136 136 MET H H 8.790 0.015 . 1299 136 136 MET HA H 4.437 0.005 . 1300 136 136 MET HB2 H 1.919 0.014 . 1301 136 136 MET HB3 H 2.090 0.005 . 1302 136 136 MET HG2 H 2.758 0.006 . 1303 136 136 MET HG3 H 2.593 0.006 . 1304 136 136 MET HE H 1.981 0.005 . 1305 136 136 MET CA C 56.659 0.006 . 1306 136 136 MET CB C 30.025 0.002 . 1307 136 136 MET CG C 32.855 0.109 . 1308 136 136 MET CE C 17.147 0.006 . 1309 136 136 MET N N 122.307 0.006 . 1310 137 137 ASN H H 8.849 0.003 . 1311 137 137 ASN HA H 4.450 0.004 . 1312 137 137 ASN HB2 H 2.814 0.010 . 1313 137 137 ASN HB3 H 2.782 0.021 . 1314 137 137 ASN HD21 H 7.755 0.003 . 1315 137 137 ASN HD22 H 7.028 0.006 . 1316 137 137 ASN CA C 55.926 0.114 . 1317 137 137 ASN CB C 35.817 0.005 . 1318 137 137 ASN N N 114.221 0.006 . 1319 137 137 ASN ND2 N 114.611 0.003 . 1320 138 138 ILE H H 7.642 0.002 . 1321 138 138 ILE HA H 3.750 0.004 . 1322 138 138 ILE HB H 2.441 0.006 . 1323 138 138 ILE HG12 H 1.507 0.010 . 1324 138 138 ILE HG13 H 1.275 0.009 . 1325 138 138 ILE HG2 H 0.630 0.006 . 1326 138 138 ILE HD1 H 0.653 0.003 . 1327 138 138 ILE CA C 61.331 0.006 . 1328 138 138 ILE CB C 34.340 0.055 . 1329 138 138 ILE CG1 C 26.972 0.006 . 1330 138 138 ILE N N 123.949 0.006 . 1331 139 139 VAL H H 7.244 0.006 . 1332 139 139 VAL HA H 3.844 0.007 . 1333 139 139 VAL HB H 2.444 0.014 . 1334 139 139 VAL HG1 H 0.805 0.004 . 1335 139 139 VAL HG2 H 1.019 0.009 . 1336 139 139 VAL CA C 66.031 0.058 . 1337 139 139 VAL CB C 30.976 0.006 . 1338 139 139 VAL CG2 C 23.070 0.006 . 1339 139 139 VAL N N 121.654 0.006 . 1340 140 140 GLU H H 8.291 0.013 . 1341 140 140 GLU HA H 4.043 0.005 . 1342 140 140 GLU HB2 H 2.070 0.012 . 1343 140 140 GLU HB3 H 1.965 0.007 . 1344 140 140 GLU HG2 H 2.405 0.005 . 1345 140 140 GLU HG3 H 2.204 0.005 . 1346 140 140 GLU CA C 59.162 0.080 . 1347 140 140 GLU CB C 29.419 0.006 . 1348 140 140 GLU CG C 36.854 0.094 . 1349 140 140 GLU N N 117.078 0.006 . 1350 141 141 ALA H H 7.495 0.004 . 1351 141 141 ALA HA H 4.061 0.010 . 1352 141 141 ALA HB H 1.586 0.004 . 1353 141 141 ALA CA C 54.729 0.006 . 1354 141 141 ALA CB C 18.016 0.006 . 1355 141 141 ALA N N 120.813 0.006 . 1356 142 142 MET H H 8.259 0.011 . 1357 142 142 MET HA H 3.938 0.004 . 1358 142 142 MET HB2 H 2.511 0.009 . 1359 142 142 MET HB3 H 1.930 0.008 . 1360 142 142 MET HG2 H 2.259 0.004 . 1361 142 142 MET HG3 H 2.618 0.006 . 1362 142 142 MET HE H 1.155 0.005 . 1363 142 142 MET CA C 59.610 0.079 . 1364 142 142 MET CB C 33.678 0.052 . 1365 142 142 MET CE C 14.399 0.006 . 1366 142 142 MET N N 117.301 0.006 . 1367 143 143 GLU H H 7.832 0.010 . 1368 143 143 GLU HA H 3.716 0.009 . 1369 143 143 GLU HB2 H 2.139 0.012 . 1370 143 143 GLU HB3 H 1.963 0.011 . 1371 143 143 GLU HG2 H 2.044 0.006 . 1372 143 143 GLU HG3 H 2.344 0.010 . 1373 143 143 GLU CA C 59.182 0.100 . 1374 143 143 GLU CB C 30.271 0.006 . 1375 143 143 GLU CG C 37.791 0.073 . 1376 143 143 GLU N N 116.052 0.006 . 1377 144 144 ARG H H 7.034 0.004 . 1378 144 144 ARG HA H 3.922 0.012 . 1379 144 144 ARG HB2 H 1.458 0.012 . 1380 144 144 ARG HB3 H 1.366 0.007 . 1381 144 144 ARG HG2 H 1.596 0.016 . 1382 144 144 ARG HG3 H 1.461 0.010 . 1383 144 144 ARG HD2 H 3.050 0.012 . 1384 144 144 ARG HD3 H 3.050 0.012 . 1385 144 144 ARG HE H 7.104 0.006 . 1386 144 144 ARG CA C 57.542 0.089 . 1387 144 144 ARG CB C 29.303 0.001 . 1388 144 144 ARG CG C 27.478 0.005 . 1389 144 144 ARG CD C 43.073 0.006 . 1390 144 144 ARG N N 114.357 0.006 . 1391 144 144 ARG NE N 84.775 0.006 . 1392 145 145 PHE H H 7.624 0.004 . 1393 145 145 PHE HA H 4.793 0.006 . 1394 145 145 PHE HB2 H 2.907 0.010 . 1395 145 145 PHE HB3 H 3.536 0.008 . 1396 145 145 PHE HD1 H 7.289 0.017 . 1397 145 145 PHE HD2 H 7.289 0.017 . 1398 145 145 PHE HE1 H 7.165 0.016 . 1399 145 145 PHE HE2 H 7.165 0.016 . 1400 145 145 PHE CA C 57.614 0.006 . 1401 145 145 PHE CB C 38.913 0.077 . 1402 145 145 PHE N N 115.146 0.006 . 1403 146 146 GLY H H 7.514 0.013 . 1404 146 146 GLY HA2 H 4.615 0.011 . 1405 146 146 GLY HA3 H 3.625 0.008 . 1406 146 146 GLY CA C 44.149 0.006 . 1407 146 146 GLY N N 104.498 0.006 . 1408 147 147 SER H H 8.190 0.020 . 1409 147 147 SER HA H 4.755 0.004 . 1410 147 147 SER HB2 H 4.159 0.007 . 1411 147 147 SER HB3 H 4.047 0.011 . 1412 147 147 SER CA C 58.033 0.006 . 1413 147 147 SER N N 109.815 0.000 . 1414 148 148 ARG H H 8.795 0.006 . 1415 148 148 ARG HA H 4.167 0.008 . 1416 148 148 ARG HB2 H 1.915 0.014 . 1417 148 148 ARG HB3 H 1.877 0.003 . 1418 148 148 ARG HG2 H 1.736 0.009 . 1419 148 148 ARG HG3 H 1.701 0.012 . 1420 148 148 ARG HD2 H 3.222 0.007 . 1421 148 148 ARG HD3 H 3.222 0.007 . 1422 148 148 ARG CA C 59.491 0.006 . 1423 148 148 ARG CB C 29.662 0.002 . 1424 148 148 ARG CG C 26.917 0.006 . 1425 148 148 ARG CD C 42.993 0.006 . 1426 148 148 ARG N N 119.789 0.006 . 1427 149 149 ASN H H 7.841 0.006 . 1428 149 149 ASN HA H 4.834 0.002 . 1429 149 149 ASN HB2 H 3.171 0.010 . 1430 149 149 ASN HB3 H 2.807 0.006 . 1431 149 149 ASN HD21 H 7.528 0.006 . 1432 149 149 ASN HD22 H 6.724 0.002 . 1433 149 149 ASN CA C 52.120 0.006 . 1434 149 149 ASN CB C 38.241 0.105 . 1435 149 149 ASN N N 111.378 0.006 . 1436 149 149 ASN ND2 N 110.005 0.006 . 1437 150 150 GLY H H 8.040 0.006 . 1438 150 150 GLY HA2 H 4.105 0.011 . 1439 150 150 GLY HA3 H 3.936 0.010 . 1440 150 150 GLY CA C 44.897 0.072 . 1441 150 150 GLY N N 109.893 0.006 . 1442 151 151 LYS H H 7.525 0.002 . 1443 151 151 LYS HA H 4.405 0.012 . 1444 151 151 LYS HB2 H 1.877 0.003 . 1445 151 151 LYS HB3 H 1.820 0.008 . 1446 151 151 LYS HG2 H 1.531 0.009 . 1447 151 151 LYS HG3 H 1.479 0.000 . 1448 151 151 LYS HD2 H 1.778 0.004 . 1449 151 151 LYS HD3 H 1.748 0.016 . 1450 151 151 LYS HE2 H 3.054 0.004 . 1451 151 151 LYS HE3 H 3.054 0.004 . 1452 151 151 LYS CA C 57.045 0.006 . 1453 151 151 LYS CB C 32.269 0.006 . 1454 151 151 LYS CG C 24.820 0.003 . 1455 151 151 LYS CD C 28.840 0.006 . 1456 151 151 LYS CE C 41.945 0.006 . 1457 151 151 LYS N N 119.608 0.006 . 1458 152 152 THR H H 8.823 0.021 . 1459 152 152 THR HA H 5.532 0.006 . 1460 152 152 THR HB H 4.632 0.001 . 1461 152 152 THR HG1 H 5.012 0.006 . 1462 152 152 THR HG2 H 1.336 0.008 . 1463 152 152 THR CA C 59.953 0.108 . 1464 152 152 THR CB C 71.108 0.006 . 1465 152 152 THR N N 116.317 0.006 . 1466 153 153 SER H H 9.412 0.006 . 1467 153 153 SER HA H 4.456 0.006 . 1468 153 153 SER HB2 H 4.149 0.010 . 1469 153 153 SER HB3 H 4.021 0.008 . 1470 153 153 SER CA C 58.712 0.006 . 1471 153 153 SER CB C 63.477 0.006 . 1472 153 153 SER N N 116.804 0.006 . 1473 154 154 LYS H H 7.527 0.004 . 1474 154 154 LYS HA H 4.532 0.008 . 1475 154 154 LYS HB2 H 1.415 0.008 . 1476 154 154 LYS HB3 H 0.829 0.008 . 1477 154 154 LYS HG2 H 1.427 0.007 . 1478 154 154 LYS HG3 H 1.177 0.012 . 1479 154 154 LYS HD2 H 1.435 0.005 . 1480 154 154 LYS HD3 H 1.136 0.013 . 1481 154 154 LYS HE2 H 2.988 0.016 . 1482 154 154 LYS HE3 H 2.892 0.009 . 1483 154 154 LYS CA C 54.400 0.006 . 1484 154 154 LYS CB C 38.406 0.095 . 1485 154 154 LYS CG C 26.171 0.003 . 1486 154 154 LYS CD C 29.206 0.004 . 1487 154 154 LYS CE C 42.297 0.061 . 1488 154 154 LYS N N 119.068 0.006 . 1489 155 155 LYS H H 8.791 0.008 . 1490 155 155 LYS HA H 4.313 0.005 . 1491 155 155 LYS HB2 H 1.781 0.008 . 1492 155 155 LYS HB3 H 1.873 0.006 . 1493 155 155 LYS HG2 H 1.407 0.011 . 1494 155 155 LYS HG3 H 1.308 0.008 . 1495 155 155 LYS HD2 H 1.661 0.004 . 1496 155 155 LYS HD3 H 1.661 0.004 . 1497 155 155 LYS HE2 H 2.926 0.010 . 1498 155 155 LYS HE3 H 2.902 0.006 . 1499 155 155 LYS CA C 56.147 0.006 . 1500 155 155 LYS CB C 31.988 0.006 . 1501 155 155 LYS CG C 24.775 0.006 . 1502 155 155 LYS CD C 28.761 0.006 . 1503 155 155 LYS CE C 41.535 0.006 . 1504 155 155 LYS N N 121.541 0.006 . 1505 156 156 ILE H H 9.606 0.010 . 1506 156 156 ILE HA H 5.093 0.008 . 1507 156 156 ILE HB H 2.347 0.012 . 1508 156 156 ILE HG12 H 1.480 0.018 . 1509 156 156 ILE HG13 H 1.441 0.009 . 1510 156 156 ILE HG2 H 0.917 0.010 . 1511 156 156 ILE HD1 H 0.637 0.004 . 1512 156 156 ILE CA C 59.264 0.096 . 1513 156 156 ILE CB C 36.840 0.006 . 1514 156 156 ILE CG1 C 26.714 0.006 . 1515 156 156 ILE CG2 C 19.044 0.006 . 1516 156 156 ILE N N 133.980 0.006 . 1517 157 157 THR H H 9.233 0.013 . 1518 157 157 THR HA H 5.274 0.009 . 1519 157 157 THR HB H 3.889 0.007 . 1520 157 157 THR HG2 H 0.995 0.004 . 1521 157 157 THR CA C 59.475 0.044 . 1522 157 157 THR CB C 72.475 0.006 . 1523 157 157 THR CG2 C 22.401 0.006 . 1524 157 157 THR N N 116.977 0.006 . 1525 158 158 ILE H H 8.580 0.009 . 1526 158 158 ILE HA H 4.242 0.005 . 1527 158 158 ILE HB H 1.671 0.006 . 1528 158 158 ILE HG12 H 1.411 0.006 . 1529 158 158 ILE HG13 H 0.338 0.010 . 1530 158 158 ILE HG2 H 0.312 0.007 . 1531 158 158 ILE HD1 H -0.139 0.003 . 1532 158 158 ILE CA C 60.868 0.068 . 1533 158 158 ILE CB C 36.790 0.006 . 1534 158 158 ILE CG1 C 28.277 0.008 . 1535 158 158 ILE CG2 C 18.295 0.006 . 1536 158 158 ILE N N 121.529 0.006 . 1537 159 159 ALA H H 8.873 0.003 . 1538 159 159 ALA HA H 4.124 0.006 . 1539 159 159 ALA HB H 1.291 0.007 . 1540 159 159 ALA CA C 54.073 0.082 . 1541 159 159 ALA CB C 19.013 0.006 . 1542 159 159 ALA N N 132.313 0.006 . 1543 160 160 ASP H H 8.066 0.001 . 1544 160 160 ASP HA H 4.890 0.003 . 1545 160 160 ASP HB2 H 2.961 0.005 . 1546 160 160 ASP HB3 H 2.863 0.007 . 1547 160 160 ASP CA C 52.639 0.006 . 1548 160 160 ASP CB C 43.587 0.061 . 1549 160 160 ASP N N 111.257 0.006 . 1550 161 161 CYS H H 8.591 0.006 . 1551 161 161 CYS HA H 4.544 0.003 . 1552 161 161 CYS HB2 H 3.213 0.010 . 1553 161 161 CYS HB3 H 3.104 0.016 . 1554 161 161 CYS CA C 55.148 0.006 . 1555 161 161 CYS CB C 31.137 0.003 . 1556 161 161 CYS N N 115.837 0.006 . 1557 162 162 GLY H H 6.844 0.004 . 1558 162 162 GLY HA2 H 3.897 0.007 . 1559 162 162 GLY HA3 H 3.544 0.004 . 1560 162 162 GLY CA C 45.349 0.095 . 1561 162 162 GLY N N 103.888 0.006 . 1562 163 163 GLN H H 9.066 0.001 . 1563 163 163 GLN HA H 5.069 0.003 . 1564 163 163 GLN HB2 H 1.966 0.013 . 1565 163 163 GLN HB3 H 1.753 0.007 . 1566 163 163 GLN HG2 H 2.573 0.007 . 1567 163 163 GLN HG3 H 2.478 0.016 . 1568 163 163 GLN HE21 H 8.145 0.009 . 1569 163 163 GLN HE22 H 7.183 0.004 . 1570 163 163 GLN CA C 54.809 0.006 . 1571 163 163 GLN CB C 30.590 0.003 . 1572 163 163 GLN CG C 33.356 0.200 . 1573 163 163 GLN N N 120.718 0.006 . 1574 163 163 GLN NE2 N 110.553 0.004 . 1575 164 164 LEU H H 8.593 0.002 . 1576 164 164 LEU HA H 4.607 0.006 . 1577 164 164 LEU HB2 H 1.623 0.008 . 1578 164 164 LEU HB3 H 1.621 0.007 . 1579 164 164 LEU HG H 1.650 0.006 . 1580 164 164 LEU HD1 H 0.744 0.004 . 1581 164 164 LEU HD2 H 0.838 0.006 . 1582 164 164 LEU CA C 54.739 0.006 . 1583 164 164 LEU CB C 43.362 0.060 . 1584 164 164 LEU CG C 27.093 0.006 . 1585 164 164 LEU N N 125.816 0.006 . 1586 165 165 GLU H H 8.132 0.010 . 1587 165 165 GLU HA H 4.161 0.005 . 1588 165 165 GLU HB2 H 2.087 0.004 . 1589 165 165 GLU HB3 H 1.923 0.005 . 1590 165 165 GLU HG2 H 2.197 0.001 . 1591 165 165 GLU HG3 H 2.197 0.001 . 1592 165 165 GLU CA C 57.904 0.006 . 1593 165 165 GLU CB C 31.620 0.006 . 1594 165 165 GLU CG C 36.770 0.006 . 1595 165 165 GLU N N 125.923 0.006 . stop_ save_