data_25638 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of a C-terminal domain of the chromodomain helicase DNA-binding protein 1 ; _BMRB_accession_number 25638 _BMRB_flat_file_name bmr25638.str _Entry_type original _Submission_date 2015-05-26 _Accession_date 2015-05-26 _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 Mohanty Biswaranjan . . 2 Silva Ana P.G. . 3 Mackay Joel P. . 4 Ryan Daniel P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 647 "13C chemical shifts" 467 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-19 update BMRB 'update entry citation' 2016-05-31 original author 'original release' stop_ _Original_release_date 2016-05-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments of a C-terminal domain of human CHD1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26286320 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mohanty Biswaranjan . . 2 Silva Ana P.G. . 3 Mackay Joel P. . 4 Ryan Daniel P. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 31 _Page_last 34 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of the chromodomain helicase DNA-binding protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12905.072 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GPLGSLDQKTFSICKERMRP VKAALKQLDRPEKGLSEREQ LEHTRQCLIKIGDHITECLK EYTNPEQIKQWRKNLWIFVS KFTEFDARKLHKLYKHAIKK RQESQQNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 LEU 4 4 GLY 5 5 SER 6 6 LEU 7 7 ASP 8 8 GLN 9 9 LYS 10 10 THR 11 11 PHE 12 12 SER 13 13 ILE 14 14 CYS 15 15 LYS 16 16 GLU 17 17 ARG 18 18 MET 19 19 ARG 20 20 PRO 21 21 VAL 22 22 LYS 23 23 ALA 24 24 ALA 25 25 LEU 26 26 LYS 27 27 GLN 28 28 LEU 29 29 ASP 30 30 ARG 31 31 PRO 32 32 GLU 33 33 LYS 34 34 GLY 35 35 LEU 36 36 SER 37 37 GLU 38 38 ARG 39 39 GLU 40 40 GLN 41 41 LEU 42 42 GLU 43 43 HIS 44 44 THR 45 45 ARG 46 46 GLN 47 47 CYS 48 48 LEU 49 49 ILE 50 50 LYS 51 51 ILE 52 52 GLY 53 53 ASP 54 54 HIS 55 55 ILE 56 56 THR 57 57 GLU 58 58 CYS 59 59 LEU 60 60 LYS 61 61 GLU 62 62 TYR 63 63 THR 64 64 ASN 65 65 PRO 66 66 GLU 67 67 GLN 68 68 ILE 69 69 LYS 70 70 GLN 71 71 TRP 72 72 ARG 73 73 LYS 74 74 ASN 75 75 LEU 76 76 TRP 77 77 ILE 78 78 PHE 79 79 VAL 80 80 SER 81 81 LYS 82 82 PHE 83 83 THR 84 84 GLU 85 85 PHE 86 86 ASP 87 87 ALA 88 88 ARG 89 89 LYS 90 90 LEU 91 91 HIS 92 92 LYS 93 93 LEU 94 94 TYR 95 95 LYS 96 96 HIS 97 97 ALA 98 98 ILE 99 99 LYS 100 100 LYS 101 101 ARG 102 102 GLN 103 103 GLU 104 104 SER 105 105 GLN 106 106 GLN 107 107 ASN 108 108 SER 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 $entity 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 'recombinant technology' . Escherichia coli . pGEX-6P stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 440 uM protein (CHD1-C) 20 mM Sodium phosphate pH 6.5 10 mM NaCl 1 mM DTT 0.3 % Sodium Azide 0.3 % DSS 0.1% 1Xprotease inhibitor ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 440 uM '[U-98% 13C; U-98% 15N]' 'Sodium phosphate' 20 mM 'natural abundance' NaCl 10 mM 'natural abundance' DTT 1 mM 'natural abundance' 'Sodium Azide' 0.3 % 'natural abundance' DSS 0.3 % 'natural abundance' '1X protease inhibitor' 0.1 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data collection' processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.3 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 2.0.1 loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'NOE assignment' 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_OPALp _Saveframe_category software _Name OPALp _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Koradi,Billeter and Guntert' . . stop_ loop_ _Task 'Water refinement' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 440 uM protein (CHD1-C) 20 mM Sodium phosphate pH 6.5 10 mM NaCl 1 mM DTT 0.3 % Sodium Azide 0.2 mM DSS ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.445 0.02 1 2 2 2 PRO HB2 H 2.309 0.02 2 3 2 2 PRO HB3 H 2.309 0.02 2 4 2 2 PRO HG2 H 1.978 0.02 2 5 2 2 PRO HG3 H 1.943 0.02 2 6 2 2 PRO HD2 H 3.561 0.02 2 7 2 2 PRO HD3 H 3.561 0.02 2 8 2 2 PRO C C 176.739 0.30 1 9 2 2 PRO CA C 63.306 0.30 1 10 2 2 PRO CB C 32.468 0.30 1 11 2 2 PRO CG C 27.375 0.30 1 12 2 2 PRO CD C 50.052 0.30 1 13 3 3 LEU H H 8.522 0.02 1 14 3 3 LEU HA H 4.297 0.02 1 15 3 3 LEU HB2 H 1.683 0.02 2 16 3 3 LEU HB3 H 1.614 0.02 2 17 3 3 LEU HD1 H 0.925 0.02 2 18 3 3 LEU HD2 H 0.849 0.02 2 19 3 3 LEU C C 177.526 0.30 1 20 3 3 LEU CA C 55.529 0.30 1 21 3 3 LEU CB C 42.150 0.30 1 22 3 3 LEU CG C 26.900 0.30 1 23 3 3 LEU CD1 C 25.124 0.30 2 24 3 3 LEU CD2 C 23.739 0.30 2 25 3 3 LEU N N 122.239 0.10 1 26 4 4 GLY H H 8.349 0.02 1 27 4 4 GLY HA2 H 3.945 0.02 2 28 4 4 GLY HA3 H 3.945 0.02 2 29 4 4 GLY C C 173.280 0.30 1 30 4 4 GLY CA C 45.333 0.30 1 31 4 4 GLY N N 109.572 0.10 1 32 5 5 SER H H 8.119 0.02 1 33 5 5 SER HA H 4.513 0.02 1 34 5 5 SER HB2 H 3.802 0.02 2 35 5 5 SER HB3 H 3.802 0.02 2 36 5 5 SER C C 173.317 0.30 1 37 5 5 SER CA C 57.801 0.30 1 38 5 5 SER CB C 64.536 0.30 1 39 5 5 SER N N 115.481 0.10 1 40 6 6 LEU H H 8.319 0.02 1 41 6 6 LEU HA H 4.654 0.02 1 42 6 6 LEU HB2 H 1.474 0.02 2 43 6 6 LEU HB3 H 1.894 0.02 2 44 6 6 LEU HG H 1.790 0.02 1 45 6 6 LEU HD1 H 0.895 0.02 2 46 6 6 LEU HD2 H 1.141 0.02 2 47 6 6 LEU C C 176.582 0.30 1 48 6 6 LEU CA C 53.922 0.30 1 49 6 6 LEU CB C 44.606 0.30 1 50 6 6 LEU CG C 26.420 0.30 1 51 6 6 LEU CD1 C 23.230 0.30 2 52 6 6 LEU CD2 C 26.425 0.30 2 53 6 6 LEU N N 121.895 0.10 1 54 7 7 ASP H H 8.318 0.02 1 55 7 7 ASP HA H 4.606 0.02 1 56 7 7 ASP HB2 H 2.751 0.02 2 57 7 7 ASP HB3 H 3.081 0.02 2 58 7 7 ASP C C 175.127 0.30 1 59 7 7 ASP CA C 53.218 0.30 1 60 7 7 ASP CB C 40.958 0.30 1 61 7 7 ASP N N 121.978 0.10 1 62 8 8 GLN H H 8.746 0.02 1 63 8 8 GLN HA H 4.086 0.02 1 64 8 8 GLN HB2 H 2.170 0.02 2 65 8 8 GLN HB3 H 2.170 0.02 2 66 8 8 GLN HG2 H 2.498 0.02 2 67 8 8 GLN HG3 H 2.498 0.02 2 68 8 8 GLN C C 178.360 0.30 1 69 8 8 GLN CA C 59.825 0.30 1 70 8 8 GLN CB C 28.484 0.30 1 71 8 8 GLN CG C 33.795 0.30 1 72 8 8 GLN N N 119.885 0.10 1 73 9 9 LYS H H 8.454 0.02 1 74 9 9 LYS HA H 4.197 0.02 1 75 9 9 LYS HB2 H 1.948 0.02 2 76 9 9 LYS HB3 H 1.948 0.02 2 77 9 9 LYS HG2 H 1.568 0.02 2 78 9 9 LYS HG3 H 1.483 0.02 2 79 9 9 LYS HD2 H 1.757 0.02 2 80 9 9 LYS HD3 H 1.757 0.02 2 81 9 9 LYS C C 178.983 0.30 1 82 9 9 LYS CA C 59.374 0.30 1 83 9 9 LYS CB C 31.957 0.30 1 84 9 9 LYS CG C 24.952 0.30 1 85 9 9 LYS CD C 29.198 0.30 1 86 9 9 LYS N N 120.863 0.10 1 87 10 10 THR H H 8.531 0.02 1 88 10 10 THR HA H 3.985 0.02 1 89 10 10 THR HB H 4.095 0.02 1 90 10 10 THR HG2 H 1.059 0.02 1 91 10 10 THR C C 176.554 0.30 1 92 10 10 THR CA C 67.618 0.30 1 93 10 10 THR CB C 67.523 0.30 1 94 10 10 THR CG2 C 22.810 0.30 1 95 10 10 THR N N 118.654 0.10 1 96 11 11 PHE H H 9.296 0.02 1 97 11 11 PHE HA H 3.994 0.02 1 98 11 11 PHE HB2 H 3.362 0.02 2 99 11 11 PHE HB3 H 3.149 0.02 2 100 11 11 PHE HD1 H 7.350 0.02 3 101 11 11 PHE HD2 H 7.350 0.02 3 102 11 11 PHE HE1 H 7.429 0.02 3 103 11 11 PHE HE2 H 7.429 0.02 3 104 11 11 PHE C C 176.326 0.30 1 105 11 11 PHE CA C 63.219 0.30 1 106 11 11 PHE CB C 39.346 0.30 1 107 11 11 PHE CD2 C 131.665 0.30 3 108 11 11 PHE N N 123.876 0.10 1 109 12 12 SER H H 8.306 0.02 1 110 12 12 SER HA H 4.151 0.02 1 111 12 12 SER HB2 H 3.989 0.02 2 112 12 12 SER HB3 H 3.989 0.02 2 113 12 12 SER C C 176.572 0.30 1 114 12 12 SER CA C 62.899 0.30 1 115 12 12 SER CB C 63.194 0.30 1 116 12 12 SER N N 114.219 0.10 1 117 13 13 ILE H H 7.897 0.02 1 118 13 13 ILE HA H 3.837 0.02 1 119 13 13 ILE HB H 1.898 0.02 1 120 13 13 ILE HG12 H 1.152 0.02 2 121 13 13 ILE HG13 H 1.152 0.02 2 122 13 13 ILE HG2 H 0.792 0.02 1 123 13 13 ILE HD1 H 0.816 0.02 1 124 13 13 ILE C C 178.213 0.30 1 125 13 13 ILE CA C 65.100 0.30 1 126 13 13 ILE CB C 38.310 0.30 1 127 13 13 ILE CG1 C 28.970 0.30 1 128 13 13 ILE CG2 C 18.023 0.30 1 129 13 13 ILE CD1 C 14.005 0.30 1 130 13 13 ILE N N 123.613 0.10 1 131 14 14 CYS H H 8.329 0.02 1 132 14 14 CYS HA H 3.551 0.02 1 133 14 14 CYS HB2 H 0.911 0.02 2 134 14 14 CYS HB3 H 1.593 0.02 2 135 14 14 CYS C C 174.660 0.30 1 136 14 14 CYS CA C 64.572 0.30 1 137 14 14 CYS CB C 26.721 0.30 1 138 14 14 CYS N N 118.125 0.10 1 139 15 15 LYS H H 8.025 0.02 1 140 15 15 LYS HA H 3.149 0.02 1 141 15 15 LYS HB2 H 1.821 0.02 2 142 15 15 LYS HB3 H 1.821 0.02 2 143 15 15 LYS HG2 H 1.306 0.02 2 144 15 15 LYS HG3 H 1.491 0.02 2 145 15 15 LYS C C 179.846 0.30 1 146 15 15 LYS CA C 59.732 0.30 1 147 15 15 LYS CB C 32.092 0.30 1 148 15 15 LYS CG C 24.900 0.30 1 149 15 15 LYS N N 118.532 0.10 1 150 16 16 GLU H H 7.403 0.02 1 151 16 16 GLU HA H 4.027 0.02 1 152 16 16 GLU HB2 H 2.119 0.02 2 153 16 16 GLU HB3 H 2.119 0.02 2 154 16 16 GLU HG2 H 2.304 0.02 2 155 16 16 GLU HG3 H 2.304 0.02 2 156 16 16 GLU C C 179.609 0.30 1 157 16 16 GLU CA C 59.142 0.30 1 158 16 16 GLU CB C 29.113 0.30 1 159 16 16 GLU CG C 35.531 0.30 1 160 16 16 GLU N N 118.138 0.10 1 161 17 17 ARG H H 8.325 0.02 1 162 17 17 ARG HA H 4.063 0.02 1 163 17 17 ARG HB2 H 1.897 0.02 2 164 17 17 ARG HB3 H 1.752 0.02 2 165 17 17 ARG HG2 H 1.733 0.02 2 166 17 17 ARG HG3 H 1.733 0.02 2 167 17 17 ARG HD2 H 2.878 0.02 2 168 17 17 ARG HD3 H 2.940 0.02 2 169 17 17 ARG C C 178.194 0.30 1 170 17 17 ARG CA C 58.155 0.30 1 171 17 17 ARG CB C 29.967 0.30 1 172 17 17 ARG CG C 27.113 0.30 1 173 17 17 ARG CD C 42.800 0.30 1 174 17 17 ARG N N 117.969 0.10 1 175 18 18 MET H H 7.718 0.02 1 176 18 18 MET HA H 4.561 0.02 1 177 18 18 MET HB2 H 1.739 0.02 2 178 18 18 MET HB3 H 2.239 0.02 2 179 18 18 MET HG2 H 1.992 0.02 2 180 18 18 MET HG3 H 2.436 0.02 2 181 18 18 MET HE H 1.790 0.02 1 182 18 18 MET C C 175.540 0.30 1 183 18 18 MET CA C 53.377 0.30 1 184 18 18 MET CB C 29.724 0.30 1 185 18 18 MET CG C 33.920 0.30 1 186 18 18 MET CE C 17.216 0.30 1 187 18 18 MET N N 113.332 0.10 1 188 19 19 ARG H H 7.152 0.02 1 189 19 19 ARG HA H 4.151 0.02 1 190 19 19 ARG HB2 H 1.898 0.02 2 191 19 19 ARG HB3 H 2.005 0.02 2 192 19 19 ARG HG2 H 1.644 0.02 2 193 19 19 ARG HG3 H 1.841 0.02 2 194 19 19 ARG HD2 H 3.139 0.02 2 195 19 19 ARG HD3 H 3.139 0.02 2 196 19 19 ARG C C 175.206 0.30 1 197 19 19 ARG CA C 61.133 0.30 1 198 19 19 ARG CB C 28.258 0.30 1 199 19 19 ARG CG C 27.059 0.30 1 200 19 19 ARG CD C 43.791 0.30 1 201 19 19 ARG N N 123.288 0.10 1 202 20 20 PRO HA H 4.343 0.02 1 203 20 20 PRO HB2 H 0.952 0.02 2 204 20 20 PRO HB3 H 2.405 0.02 2 205 20 20 PRO HG2 H 1.940 0.02 2 206 20 20 PRO HG3 H 1.940 0.02 2 207 20 20 PRO HD2 H 3.147 0.02 2 208 20 20 PRO HD3 H 3.147 0.02 2 209 20 20 PRO C C 177.496 0.30 1 210 20 20 PRO CA C 65.997 0.30 1 211 20 20 PRO CB C 31.840 0.30 1 212 20 20 PRO CG C 28.339 0.30 1 213 20 20 PRO CD C 50.987 0.30 1 214 21 21 VAL H H 7.352 0.02 1 215 21 21 VAL HA H 4.821 0.02 1 216 21 21 VAL HB H 2.392 0.02 1 217 21 21 VAL HG1 H 0.550 0.02 2 218 21 21 VAL HG2 H 0.675 0.02 2 219 21 21 VAL C C 174.911 0.30 1 220 21 21 VAL CA C 59.103 0.30 1 221 21 21 VAL CB C 30.856 0.30 1 222 21 21 VAL CG1 C 21.154 0.30 2 223 21 21 VAL CG2 C 20.069 0.30 2 224 21 21 VAL N N 105.802 0.10 1 225 22 22 LYS H H 7.640 0.02 1 226 22 22 LYS HA H 3.764 0.02 1 227 22 22 LYS HB2 H 1.844 0.02 2 228 22 22 LYS HB3 H 1.844 0.02 2 229 22 22 LYS HG2 H 1.432 0.02 2 230 22 22 LYS HG3 H 1.432 0.02 2 231 22 22 LYS C C 177.408 0.30 1 232 22 22 LYS CA C 60.332 0.30 1 233 22 22 LYS CB C 32.214 0.30 1 234 22 22 LYS CG C 24.499 0.30 1 235 22 22 LYS CD C 29.750 0.30 1 236 22 22 LYS N N 122.802 0.10 1 237 23 23 ALA H H 8.571 0.02 1 238 23 23 ALA HA H 4.075 0.02 1 239 23 23 ALA HB H 1.370 0.02 1 240 23 23 ALA C C 179.648 0.30 1 241 23 23 ALA CA C 55.159 0.30 1 242 23 23 ALA CB C 17.914 0.30 1 243 23 23 ALA N N 120.067 0.10 1 244 24 24 ALA H H 7.320 0.02 1 245 24 24 ALA HA H 4.162 0.02 1 246 24 24 ALA HB H 1.411 0.02 1 247 24 24 ALA C C 178.921 0.30 1 248 24 24 ALA CA C 54.756 0.30 1 249 24 24 ALA CB C 18.193 0.30 1 250 24 24 ALA N N 121.068 0.10 1 251 25 25 LEU H H 7.698 0.02 1 252 25 25 LEU HA H 3.711 0.02 1 253 25 25 LEU HB2 H 1.532 0.02 2 254 25 25 LEU HB3 H 0.508 0.02 2 255 25 25 LEU HD1 H 0.637 0.02 2 256 25 25 LEU HD2 H 0.636 0.02 2 257 25 25 LEU C C 178.174 0.30 1 258 25 25 LEU CA C 57.951 0.30 1 259 25 25 LEU CB C 40.630 0.30 1 260 25 25 LEU CD1 C 25.647 0.30 2 261 25 25 LEU CD2 C 25.033 0.30 2 262 25 25 LEU N N 117.214 0.10 1 263 26 26 LYS H H 7.675 0.02 1 264 26 26 LYS HA H 4.163 0.02 1 265 26 26 LYS HB2 H 1.959 0.02 2 266 26 26 LYS HB3 H 1.897 0.02 2 267 26 26 LYS HG2 H 1.488 0.02 2 268 26 26 LYS HG3 H 1.617 0.02 2 269 26 26 LYS HD2 H 1.684 0.02 2 270 26 26 LYS HD3 H 1.684 0.02 2 271 26 26 LYS C C 177.958 0.30 1 272 26 26 LYS CA C 58.414 0.30 1 273 26 26 LYS CB C 32.166 0.30 1 274 26 26 LYS CG C 25.147 0.30 1 275 26 26 LYS CD C 29.188 0.30 1 276 26 26 LYS N N 116.336 0.10 1 277 27 27 GLN H H 7.520 0.02 1 278 27 27 GLN HA H 4.275 0.02 1 279 27 27 GLN HB2 H 2.265 0.02 2 280 27 27 GLN HB3 H 2.265 0.02 2 281 27 27 GLN HG2 H 2.488 0.02 2 282 27 27 GLN HG3 H 2.610 0.02 2 283 27 27 GLN HE21 H 7.379 0.02 2 284 27 27 GLN HE22 H 6.858 0.02 2 285 27 27 GLN C C 177.329 0.30 1 286 27 27 GLN CA C 56.807 0.30 1 287 27 27 GLN CB C 30.020 0.30 1 288 27 27 GLN CG C 34.404 0.30 1 289 27 27 GLN N N 116.118 0.10 1 290 27 27 GLN NE2 N 111.555 0.10 1 291 28 28 LEU H H 7.506 0.02 1 292 28 28 LEU HA H 4.153 0.02 1 293 28 28 LEU HB2 H 1.759 0.02 2 294 28 28 LEU HB3 H 1.900 0.02 2 295 28 28 LEU HG H 1.790 0.02 1 296 28 28 LEU HD1 H 0.892 0.02 2 297 28 28 LEU HD2 H 0.933 0.02 2 298 28 28 LEU C C 176.818 0.30 1 299 28 28 LEU CA C 58.042 0.30 1 300 28 28 LEU CB C 41.911 0.30 1 301 28 28 LEU CG C 26.659 0.30 1 302 28 28 LEU CD1 C 25.306 0.30 2 303 28 28 LEU CD2 C 25.614 0.30 2 304 28 28 LEU N N 121.335 0.10 1 305 29 29 ASP H H 8.120 0.02 1 306 29 29 ASP HA H 4.914 0.02 1 307 29 29 ASP HB2 H 2.833 0.02 2 308 29 29 ASP HB3 H 2.879 0.02 2 309 29 29 ASP C C 175.422 0.30 1 310 29 29 ASP CA C 54.126 0.30 1 311 29 29 ASP CB C 42.715 0.30 1 312 29 29 ASP N N 117.486 0.10 1 313 30 30 ARG H H 7.701 0.02 1 314 30 30 ARG HA H 4.761 0.02 1 315 30 30 ARG HB2 H 1.728 0.02 2 316 30 30 ARG HB3 H 1.728 0.02 2 317 30 30 ARG C C 172.474 0.30 1 318 30 30 ARG CA C 53.231 0.30 1 319 30 30 ARG CB C 31.311 0.30 1 320 30 30 ARG N N 119.107 0.10 1 321 31 31 PRO HA H 4.266 0.02 1 322 31 31 PRO HB2 H 2.137 0.02 2 323 31 31 PRO HB3 H 1.823 0.02 2 324 31 31 PRO HG2 H 1.985 0.02 2 325 31 31 PRO HG3 H 1.985 0.02 2 326 31 31 PRO HD2 H 3.596 0.02 2 327 31 31 PRO HD3 H 3.596 0.02 2 328 31 31 PRO C C 176.700 0.30 1 329 31 31 PRO CA C 62.945 0.30 1 330 31 31 PRO CB C 32.014 0.30 1 331 31 31 PRO CG C 27.354 0.30 1 332 31 31 PRO CD C 50.038 0.30 1 333 32 32 GLU H H 8.454 0.02 1 334 32 32 GLU HA H 4.188 0.02 1 335 32 32 GLU HB2 H 1.858 0.02 2 336 32 32 GLU HB3 H 1.943 0.02 2 337 32 32 GLU HG2 H 2.258 0.02 2 338 32 32 GLU HG3 H 2.258 0.02 2 339 32 32 GLU C C 176.051 0.30 1 340 32 32 GLU CA C 56.389 0.30 1 341 32 32 GLU CB C 30.188 0.30 1 342 32 32 GLU CG C 35.990 0.30 1 343 32 32 GLU N N 122.391 0.10 1 344 33 33 LYS H H 8.338 0.02 1 345 33 33 LYS HA H 4.176 0.02 1 346 33 33 LYS HB2 H 1.798 0.02 2 347 33 33 LYS HB3 H 1.798 0.02 2 348 33 33 LYS HG2 H 1.419 0.02 2 349 33 33 LYS HG3 H 1.476 0.02 2 350 33 33 LYS HD2 H 1.672 0.02 2 351 33 33 LYS HD3 H 1.672 0.02 2 352 33 33 LYS C C 177.132 0.30 1 353 33 33 LYS CA C 57.127 0.30 1 354 33 33 LYS CB C 32.640 0.30 1 355 33 33 LYS CG C 24.713 0.30 1 356 33 33 LYS CD C 28.997 0.30 1 357 33 33 LYS N N 123.127 0.10 1 358 34 34 GLY H H 8.643 0.02 1 359 34 34 GLY HA2 H 4.014 0.02 2 360 34 34 GLY HA3 H 3.811 0.02 2 361 34 34 GLY C C 174.125 0.30 1 362 34 34 GLY CA C 45.318 0.30 1 363 34 34 GLY N N 109.507 0.10 1 364 35 35 LEU H H 7.480 0.02 1 365 35 35 LEU HA H 4.515 0.02 1 366 35 35 LEU HB2 H 1.592 0.02 2 367 35 35 LEU HB3 H 1.729 0.02 2 368 35 35 LEU HG H 1.609 0.02 1 369 35 35 LEU HD1 H 0.749 0.02 2 370 35 35 LEU HD2 H 0.739 0.02 2 371 35 35 LEU C C 177.447 0.30 1 372 35 35 LEU CA C 54.449 0.30 1 373 35 35 LEU CB C 43.116 0.30 1 374 35 35 LEU CG C 26.640 0.30 1 375 35 35 LEU CD1 C 22.461 0.30 2 376 35 35 LEU CD2 C 25.565 0.30 2 377 35 35 LEU N N 120.392 0.10 1 378 36 36 SER H H 8.838 0.02 1 379 36 36 SER HA H 4.471 0.02 1 380 36 36 SER HB2 H 4.064 0.02 2 381 36 36 SER HB3 H 4.315 0.02 2 382 36 36 SER C C 174.282 0.30 1 383 36 36 SER CA C 57.814 0.30 1 384 36 36 SER CB C 64.678 0.30 1 385 36 36 SER N N 118.629 0.10 1 386 37 37 GLU H H 9.018 0.02 1 387 37 37 GLU HA H 4.014 0.02 1 388 37 37 GLU HB2 H 2.088 0.02 2 389 37 37 GLU HB3 H 2.138 0.02 2 390 37 37 GLU HG2 H 2.389 0.02 2 391 37 37 GLU HG3 H 2.281 0.02 2 392 37 37 GLU C C 178.626 0.30 1 393 37 37 GLU CA C 60.578 0.30 1 394 37 37 GLU CB C 29.349 0.30 1 395 37 37 GLU CG C 36.441 0.30 1 396 37 37 GLU N N 122.722 0.10 1 397 38 38 ARG H H 8.509 0.02 1 398 38 38 ARG HA H 4.113 0.02 1 399 38 38 ARG HB2 H 1.793 0.02 2 400 38 38 ARG HB3 H 1.926 0.02 2 401 38 38 ARG HG2 H 1.650 0.02 2 402 38 38 ARG HG3 H 1.650 0.02 2 403 38 38 ARG HD2 H 3.246 0.02 2 404 38 38 ARG HD3 H 3.246 0.02 2 405 38 38 ARG C C 178.862 0.30 1 406 38 38 ARG CA C 59.448 0.30 1 407 38 38 ARG CB C 29.807 0.30 1 408 38 38 ARG CG C 27.059 0.30 1 409 38 38 ARG CD C 43.183 0.30 1 410 38 38 ARG N N 118.418 0.10 1 411 39 39 GLU H H 7.761 0.02 1 412 39 39 GLU HA H 4.090 0.02 1 413 39 39 GLU HB2 H 2.030 0.02 2 414 39 39 GLU HB3 H 2.030 0.02 2 415 39 39 GLU HG2 H 2.297 0.02 2 416 39 39 GLU HG3 H 2.297 0.02 2 417 39 39 GLU C C 179.179 0.30 1 418 39 39 GLU CA C 58.893 0.30 1 419 39 39 GLU CB C 30.557 0.30 1 420 39 39 GLU CG C 37.400 0.30 1 421 39 39 GLU N N 119.730 0.10 1 422 40 40 GLN H H 8.871 0.02 1 423 40 40 GLN HA H 4.044 0.02 1 424 40 40 GLN HB2 H 2.239 0.02 2 425 40 40 GLN HB3 H 2.239 0.02 2 426 40 40 GLN HG2 H 2.375 0.02 2 427 40 40 GLN HG3 H 2.485 0.02 2 428 40 40 GLN HE21 H 6.938 0.02 2 429 40 40 GLN HE22 H 7.286 0.02 2 430 40 40 GLN C C 178.410 0.30 1 431 40 40 GLN CA C 59.370 0.30 1 432 40 40 GLN CB C 28.488 0.30 1 433 40 40 GLN CG C 34.340 0.30 1 434 40 40 GLN N N 121.665 0.10 1 435 40 40 GLN NE2 N 112.221 0.10 1 436 41 41 LEU H H 8.140 0.02 1 437 41 41 LEU HA H 4.227 0.02 1 438 41 41 LEU HB2 H 1.734 0.02 2 439 41 41 LEU HB3 H 1.909 0.02 2 440 41 41 LEU HG H 1.759 0.02 1 441 41 41 LEU HD1 H 0.961 0.02 2 442 41 41 LEU HD2 H 0.950 0.02 2 443 41 41 LEU C C 179.491 0.30 1 444 41 41 LEU CA C 58.290 0.30 1 445 41 41 LEU CB C 41.601 0.30 1 446 41 41 LEU CG C 27.076 0.30 1 447 41 41 LEU CD1 C 24.764 0.30 2 448 41 41 LEU CD2 C 24.225 0.30 2 449 41 41 LEU N N 121.002 0.10 1 450 42 42 GLU H H 7.894 0.02 1 451 42 42 GLU HA H 4.234 0.02 1 452 42 42 GLU HB2 H 2.135 0.02 2 453 42 42 GLU HB3 H 2.012 0.02 2 454 42 42 GLU HG2 H 2.425 0.02 2 455 42 42 GLU HG3 H 2.425 0.02 2 456 42 42 GLU C C 178.253 0.30 1 457 42 42 GLU CA C 58.910 0.30 1 458 42 42 GLU CB C 28.967 0.30 1 459 42 42 GLU CG C 33.783 0.30 1 460 42 42 GLU N N 119.818 0.10 1 461 43 43 HIS H H 8.437 0.02 1 462 43 43 HIS HA H 4.421 0.02 1 463 43 43 HIS HB2 H 3.413 0.02 2 464 43 43 HIS HB3 H 3.288 0.02 2 465 43 43 HIS C C 177.790 0.30 1 466 43 43 HIS CA C 59.813 0.30 1 467 43 43 HIS CB C 29.444 0.30 1 468 43 43 HIS CD2 C 117.000 0.30 1 469 43 43 HIS N N 119.964 0.10 1 470 44 44 THR H H 8.589 0.02 1 471 44 44 THR HA H 3.884 0.02 1 472 44 44 THR HB H 4.372 0.02 1 473 44 44 THR HG2 H 1.345 0.02 1 474 44 44 THR C C 177.658 0.30 1 475 44 44 THR CA C 67.603 0.30 1 476 44 44 THR CB C 68.981 0.30 1 477 44 44 THR CG2 C 21.845 0.30 1 478 44 44 THR N N 117.768 0.10 1 479 45 45 ARG H H 8.255 0.02 1 480 45 45 ARG HA H 3.879 0.02 1 481 45 45 ARG HB2 H 2.026 0.02 2 482 45 45 ARG HB3 H 2.026 0.02 2 483 45 45 ARG HG2 H 1.757 0.02 2 484 45 45 ARG HG3 H 1.553 0.02 2 485 45 45 ARG HD2 H 3.299 0.02 2 486 45 45 ARG HD3 H 3.299 0.02 2 487 45 45 ARG C C 177.467 0.30 1 488 45 45 ARG CA C 60.859 0.30 1 489 45 45 ARG CB C 30.716 0.30 1 490 45 45 ARG CG C 28.136 0.30 1 491 45 45 ARG CD C 43.635 0.30 1 492 45 45 ARG N N 121.750 0.10 1 493 46 46 GLN H H 8.328 0.02 1 494 46 46 GLN HA H 4.024 0.02 1 495 46 46 GLN HB2 H 2.186 0.02 2 496 46 46 GLN HB3 H 2.256 0.02 2 497 46 46 GLN HG2 H 2.542 0.02 2 498 46 46 GLN HG3 H 2.642 0.02 2 499 46 46 GLN C C 179.668 0.30 1 500 46 46 GLN CA C 59.575 0.30 1 501 46 46 GLN CB C 27.755 0.30 1 502 46 46 GLN CG C 33.939 0.30 1 503 46 46 GLN N N 116.576 0.10 1 504 47 47 CYS H H 8.029 0.02 1 505 47 47 CYS HA H 4.083 0.02 1 506 47 47 CYS HB2 H 3.181 0.02 2 507 47 47 CYS HB3 H 2.700 0.02 2 508 47 47 CYS C C 175.894 0.30 1 509 47 47 CYS CA C 64.104 0.30 1 510 47 47 CYS CB C 27.063 0.30 1 511 47 47 CYS N N 118.569 0.10 1 512 48 48 LEU H H 8.539 0.02 1 513 48 48 LEU HA H 4.069 0.02 1 514 48 48 LEU HB2 H 1.899 0.02 2 515 48 48 LEU HB3 H 1.778 0.02 2 516 48 48 LEU HG H 1.925 0.02 1 517 48 48 LEU HD1 H 1.080 0.02 2 518 48 48 LEU HD2 H 1.031 0.02 2 519 48 48 LEU C C 178.489 0.30 1 520 48 48 LEU CA C 58.313 0.30 1 521 48 48 LEU CB C 42.225 0.30 1 522 48 48 LEU CG C 27.431 0.30 1 523 48 48 LEU CD1 C 25.560 0.30 2 524 48 48 LEU CD2 C 25.090 0.30 2 525 48 48 LEU N N 119.873 0.10 1 526 49 49 ILE H H 8.516 0.02 1 527 49 49 ILE HA H 3.970 0.02 1 528 49 49 ILE HB H 1.935 0.02 1 529 49 49 ILE HG12 H 1.545 0.02 2 530 49 49 ILE HG13 H 1.545 0.02 2 531 49 49 ILE HG2 H 1.017 0.02 1 532 49 49 ILE HD1 H 0.830 0.02 1 533 49 49 ILE C C 176.838 0.30 1 534 49 49 ILE CA C 66.211 0.30 1 535 49 49 ILE CB C 37.995 0.30 1 536 49 49 ILE CG1 C 28.320 0.30 1 537 49 49 ILE CG2 C 17.721 0.30 1 538 49 49 ILE CD1 C 13.704 0.30 1 539 49 49 ILE N N 119.523 0.10 1 540 50 50 LYS H H 7.522 0.02 1 541 50 50 LYS HA H 4.193 0.02 1 542 50 50 LYS HB2 H 1.874 0.02 2 543 50 50 LYS HB3 H 1.975 0.02 2 544 50 50 LYS HG2 H 1.484 0.02 2 545 50 50 LYS HG3 H 1.568 0.02 2 546 50 50 LYS HD2 H 1.617 0.02 2 547 50 50 LYS HD3 H 1.617 0.02 2 548 50 50 LYS C C 180.041 0.30 1 549 50 50 LYS CA C 59.547 0.30 1 550 50 50 LYS CB C 32.590 0.30 1 551 50 50 LYS CG C 25.100 0.30 1 552 50 50 LYS CD C 29.426 0.30 1 553 50 50 LYS N N 118.622 0.10 1 554 51 51 ILE H H 8.107 0.02 1 555 51 51 ILE HA H 3.449 0.02 1 556 51 51 ILE HB H 1.823 0.02 1 557 51 51 ILE HG12 H 1.004 0.02 2 558 51 51 ILE HG13 H 1.004 0.02 2 559 51 51 ILE HG2 H 0.585 0.02 1 560 51 51 ILE HD1 H 0.732 0.02 1 561 51 51 ILE C C 177.034 0.30 1 562 51 51 ILE CA C 65.767 0.30 1 563 51 51 ILE CB C 38.980 0.30 1 564 51 51 ILE CG1 C 26.289 0.30 1 565 51 51 ILE CG2 C 19.065 0.30 1 566 51 51 ILE CD1 C 15.369 0.30 1 567 51 51 ILE N N 119.288 0.10 1 568 52 52 GLY H H 9.224 0.02 1 569 52 52 GLY HA2 H 2.458 0.02 2 570 52 52 GLY HA3 H 3.208 0.02 2 571 52 52 GLY C C 176.818 0.30 1 572 52 52 GLY CA C 47.064 0.30 1 573 52 52 GLY N N 108.211 0.10 1 574 53 53 ASP H H 9.091 0.02 1 575 53 53 ASP HA H 4.534 0.02 1 576 53 53 ASP HB2 H 3.055 0.02 2 577 53 53 ASP HB3 H 2.748 0.02 2 578 53 53 ASP C C 178.626 0.30 1 579 53 53 ASP CA C 57.628 0.30 1 580 53 53 ASP CB C 39.282 0.30 1 581 53 53 ASP N N 124.013 0.10 1 582 54 54 HIS H H 7.664 0.02 1 583 54 54 HIS HA H 4.406 0.02 1 584 54 54 HIS HB2 H 3.188 0.02 2 585 54 54 HIS HB3 H 3.042 0.02 2 586 54 54 HIS C C 177.632 0.30 1 587 54 54 HIS CA C 60.460 0.30 1 588 54 54 HIS CB C 31.567 0.30 1 589 54 54 HIS N N 121.598 0.10 1 590 55 55 ILE H H 8.255 0.02 1 591 55 55 ILE HA H 3.184 0.02 1 592 55 55 ILE HB H 1.679 0.02 1 593 55 55 ILE HG12 H 1.498 0.02 2 594 55 55 ILE HG13 H 0.592 0.02 2 595 55 55 ILE HG2 H 0.673 0.02 1 596 55 55 ILE HD1 H -0.864 0.02 1 597 55 55 ILE C C 176.838 0.30 1 598 55 55 ILE CA C 67.677 0.30 1 599 55 55 ILE CB C 37.244 0.30 1 600 55 55 ILE CG1 C 30.129 0.30 1 601 55 55 ILE CG2 C 15.917 0.30 1 602 55 55 ILE CD1 C 10.586 0.30 1 603 55 55 ILE N N 121.892 0.10 1 604 56 56 THR H H 8.047 0.02 1 605 56 56 THR HA H 3.759 0.02 1 606 56 56 THR HB H 4.534 0.02 1 607 56 56 THR HG2 H 1.313 0.02 1 608 56 56 THR C C 178.845 0.30 1 609 56 56 THR CA C 67.551 0.30 1 610 56 56 THR CB C 68.756 0.30 1 611 56 56 THR CG2 C 21.891 0.30 1 612 56 56 THR N N 115.458 0.10 1 613 57 57 GLU H H 7.591 0.02 1 614 57 57 GLU HA H 3.954 0.02 1 615 57 57 GLU HB2 H 2.088 0.02 2 616 57 57 GLU HB3 H 2.088 0.02 2 617 57 57 GLU HG2 H 2.395 0.02 2 618 57 57 GLU HG3 H 2.305 0.02 2 619 57 57 GLU C C 179.629 0.30 1 620 57 57 GLU CA C 59.379 0.30 1 621 57 57 GLU CB C 28.740 0.30 1 622 57 57 GLU CG C 35.438 0.30 1 623 57 57 GLU N N 121.544 0.10 1 624 58 58 CYS H H 8.206 0.02 1 625 58 58 CYS HA H 3.940 0.02 1 626 58 58 CYS HB2 H 2.376 0.02 2 627 58 58 CYS HB3 H 3.079 0.02 2 628 58 58 CYS C C 176.739 0.30 1 629 58 58 CYS CA C 63.222 0.30 1 630 58 58 CYS CB C 26.562 0.30 1 631 58 58 CYS N N 118.970 0.10 1 632 59 59 LEU H H 7.726 0.02 1 633 59 59 LEU HA H 4.251 0.02 1 634 59 59 LEU HB2 H 1.968 0.02 2 635 59 59 LEU HB3 H 1.723 0.02 2 636 59 59 LEU HG H 1.789 0.02 1 637 59 59 LEU HD1 H 0.899 0.02 2 638 59 59 LEU HD2 H 0.929 0.02 2 639 59 59 LEU C C 177.683 0.30 1 640 59 59 LEU CA C 56.039 0.30 1 641 59 59 LEU CB C 41.037 0.30 1 642 59 59 LEU CG C 27.191 0.30 1 643 59 59 LEU CD1 C 23.270 0.30 2 644 59 59 LEU CD2 C 25.375 0.30 2 645 59 59 LEU N N 116.873 0.10 1 646 60 60 LYS H H 7.298 0.02 1 647 60 60 LYS HA H 4.131 0.02 1 648 60 60 LYS HB2 H 1.890 0.02 2 649 60 60 LYS HB3 H 1.729 0.02 2 650 60 60 LYS HG2 H 1.419 0.02 2 651 60 60 LYS HG3 H 1.419 0.02 2 652 60 60 LYS HD2 H 1.681 0.02 2 653 60 60 LYS HD3 H 1.681 0.02 2 654 60 60 LYS C C 176.562 0.30 1 655 60 60 LYS CA C 58.537 0.30 1 656 60 60 LYS CB C 32.390 0.30 1 657 60 60 LYS CG C 25.826 0.30 1 658 60 60 LYS CD C 29.650 0.30 1 659 60 60 LYS N N 117.911 0.10 1 660 61 61 GLU H H 7.084 0.02 1 661 61 61 GLU HA H 3.889 0.02 1 662 61 61 GLU HB2 H 1.366 0.02 2 663 61 61 GLU HB3 H 1.507 0.02 2 664 61 61 GLU HG2 H 1.692 0.02 2 665 61 61 GLU HG3 H 1.692 0.02 2 666 61 61 GLU C C 175.226 0.30 1 667 61 61 GLU CA C 57.051 0.30 1 668 61 61 GLU CB C 29.734 0.30 1 669 61 61 GLU CG C 35.695 0.30 1 670 61 61 GLU N N 115.507 0.10 1 671 62 62 TYR H H 7.387 0.02 1 672 62 62 TYR HA H 4.706 0.02 1 673 62 62 TYR HB2 H 2.871 0.02 2 674 62 62 TYR HB3 H 3.047 0.02 2 675 62 62 TYR HD1 H 7.005 0.02 3 676 62 62 TYR HD2 H 7.005 0.02 3 677 62 62 TYR HE1 H 6.275 0.02 3 678 62 62 TYR HE2 H 6.275 0.02 3 679 62 62 TYR C C 174.585 0.30 1 680 62 62 TYR CA C 57.147 0.30 1 681 62 62 TYR CB C 40.385 0.30 1 682 62 62 TYR CD2 C 132.271 0.30 3 683 62 62 TYR CE2 C 117.607 0.30 3 684 62 62 TYR N N 118.581 0.10 1 685 63 63 THR H H 8.471 0.02 1 686 63 63 THR HA H 4.507 0.02 1 687 63 63 THR HB H 4.363 0.02 1 688 63 63 THR HG2 H 1.189 0.02 1 689 63 63 THR C C 174.538 0.30 1 690 63 63 THR CA C 61.684 0.30 1 691 63 63 THR CB C 70.092 0.30 1 692 63 63 THR CG2 C 21.652 0.30 1 693 63 63 THR N N 109.064 0.10 1 694 64 64 ASN H H 7.993 0.02 1 695 64 64 ASN HA H 5.171 0.02 1 696 64 64 ASN HB2 H 3.011 0.02 2 697 64 64 ASN HB3 H 3.011 0.02 2 698 64 64 ASN HD21 H 7.925 0.02 2 699 64 64 ASN HD22 H 7.321 0.02 2 700 64 64 ASN C C 174.145 0.30 1 701 64 64 ASN CA C 51.137 0.30 1 702 64 64 ASN CB C 39.680 0.30 1 703 64 64 ASN N N 123.204 0.10 1 704 64 64 ASN ND2 N 114.680 0.10 1 705 65 65 PRO HA H 4.270 0.02 1 706 65 65 PRO HB2 H 2.472 0.02 2 707 65 65 PRO HB3 H 2.257 0.02 2 708 65 65 PRO HG2 H 2.104 0.02 2 709 65 65 PRO HG3 H 2.163 0.02 2 710 65 65 PRO HD2 H 3.956 0.02 2 711 65 65 PRO HD3 H 4.210 0.02 2 712 65 65 PRO C C 178.529 0.30 1 713 65 65 PRO CA C 65.692 0.30 1 714 65 65 PRO CB C 32.399 0.30 1 715 65 65 PRO CG C 27.670 0.30 1 716 65 65 PRO CD C 51.293 0.30 1 717 66 66 GLU H H 8.297 0.02 1 718 66 66 GLU HA H 4.132 0.02 1 719 66 66 GLU HB2 H 2.097 0.02 2 720 66 66 GLU HB3 H 2.097 0.02 2 721 66 66 GLU HG2 H 2.350 0.02 2 722 66 66 GLU HG3 H 2.350 0.02 2 723 66 66 GLU C C 179.059 0.30 1 724 66 66 GLU CA C 59.374 0.30 1 725 66 66 GLU CB C 28.803 0.30 1 726 66 66 GLU CG C 36.471 0.30 1 727 66 66 GLU N N 118.060 0.10 1 728 67 67 GLN H H 7.738 0.02 1 729 67 67 GLN HA H 4.167 0.02 1 730 67 67 GLN HB2 H 2.060 0.02 2 731 67 67 GLN HB3 H 2.252 0.02 2 732 67 67 GLN HG2 H 2.293 0.02 2 733 67 67 GLN HG3 H 2.494 0.02 2 734 67 67 GLN HE21 H 7.654 0.02 2 735 67 67 GLN HE22 H 7.080 0.02 2 736 67 67 GLN C C 177.722 0.30 1 737 67 67 GLN CA C 58.828 0.30 1 738 67 67 GLN CB C 29.243 0.30 1 739 67 67 GLN CG C 34.766 0.30 1 740 67 67 GLN N N 120.531 0.10 1 741 67 67 GLN NE2 N 112.918 0.10 1 742 68 68 ILE H H 7.956 0.02 1 743 68 68 ILE HA H 3.548 0.02 1 744 68 68 ILE HB H 1.815 0.02 1 745 68 68 ILE HG12 H 1.141 0.02 2 746 68 68 ILE HG13 H 1.141 0.02 2 747 68 68 ILE HG2 H 0.793 0.02 1 748 68 68 ILE HD1 H 0.981 0.02 1 749 68 68 ILE C C 176.759 0.30 1 750 68 68 ILE CA C 66.597 0.30 1 751 68 68 ILE CB C 38.939 0.30 1 752 68 68 ILE CG1 C 26.453 0.30 1 753 68 68 ILE CG2 C 18.129 0.30 1 754 68 68 ILE CD1 C 13.894 0.30 1 755 68 68 ILE N N 119.632 0.10 1 756 69 69 LYS H H 7.665 0.02 1 757 69 69 LYS HA H 3.929 0.02 1 758 69 69 LYS HB2 H 1.902 0.02 2 759 69 69 LYS HB3 H 1.902 0.02 2 760 69 69 LYS C C 178.921 0.30 1 761 69 69 LYS CA C 59.921 0.30 1 762 69 69 LYS CB C 32.607 0.30 1 763 69 69 LYS N N 117.236 0.10 1 764 70 70 GLN H H 7.787 0.02 1 765 70 70 GLN HA H 3.855 0.02 1 766 70 70 GLN HB2 H 1.861 0.02 2 767 70 70 GLN HB3 H 1.884 0.02 2 768 70 70 GLN HG2 H 1.861 0.02 2 769 70 70 GLN HG3 H 1.931 0.02 2 770 70 70 GLN HE21 H 7.063 0.02 2 771 70 70 GLN HE22 H 6.789 0.02 2 772 70 70 GLN C C 177.781 0.30 1 773 70 70 GLN CA C 58.252 0.30 1 774 70 70 GLN CB C 28.677 0.30 1 775 70 70 GLN CG C 33.102 0.30 1 776 70 70 GLN N N 118.748 0.10 1 777 70 70 GLN NE2 N 112.600 0.10 1 778 71 71 TRP H H 8.374 0.02 1 779 71 71 TRP HA H 4.043 0.02 1 780 71 71 TRP HB2 H 2.788 0.02 2 781 71 71 TRP HB3 H 2.963 0.02 2 782 71 71 TRP HD1 H 6.622 0.02 1 783 71 71 TRP HE1 H 10.081 0.02 1 784 71 71 TRP HE3 H 7.485 0.02 1 785 71 71 TRP HZ2 H 7.570 0.02 1 786 71 71 TRP HZ3 H 7.213 0.02 1 787 71 71 TRP HH2 H 7.164 0.02 1 788 71 71 TRP C C 177.329 0.30 1 789 71 71 TRP CA C 61.949 0.30 1 790 71 71 TRP CB C 28.244 0.30 1 791 71 71 TRP CD1 C 127.781 0.30 1 792 71 71 TRP CE3 C 118.339 0.30 1 793 71 71 TRP CZ2 C 115.568 0.30 1 794 71 71 TRP CZ3 C 121.373 0.30 1 795 71 71 TRP CH2 C 124.177 0.30 1 796 71 71 TRP N N 118.896 0.10 1 797 71 71 TRP NE1 N 129.398 0.10 1 798 72 72 ARG H H 8.808 0.02 1 799 72 72 ARG HA H 3.819 0.02 1 800 72 72 ARG HB2 H 2.043 0.02 2 801 72 72 ARG HB3 H 2.043 0.02 2 802 72 72 ARG C C 177.211 0.30 1 803 72 72 ARG CA C 61.032 0.30 1 804 72 72 ARG CB C 30.269 0.30 1 805 72 72 ARG N N 122.698 0.10 1 806 73 73 LYS H H 7.380 0.02 1 807 73 73 LYS HA H 4.180 0.02 1 808 73 73 LYS HB2 H 1.902 0.02 2 809 73 73 LYS HB3 H 1.902 0.02 2 810 73 73 LYS HG2 H 1.427 0.02 2 811 73 73 LYS HG3 H 1.427 0.02 2 812 73 73 LYS HD2 H 1.682 0.02 2 813 73 73 LYS HD3 H 1.682 0.02 2 814 73 73 LYS HE2 H 2.986 0.02 2 815 73 73 LYS HE3 H 2.986 0.02 2 816 73 73 LYS C C 178.272 0.30 1 817 73 73 LYS CA C 59.535 0.30 1 818 73 73 LYS CB C 31.715 0.30 1 819 73 73 LYS CG C 24.910 0.30 1 820 73 73 LYS CD C 29.570 0.30 1 821 73 73 LYS CE C 41.865 0.30 1 822 73 73 LYS N N 116.946 0.10 1 823 74 74 ASN H H 8.309 0.02 1 824 74 74 ASN HA H 4.277 0.02 1 825 74 74 ASN HB2 H 2.163 0.02 2 826 74 74 ASN HB3 H 2.609 0.02 2 827 74 74 ASN HD21 H 6.364 0.02 2 828 74 74 ASN HD22 H 3.818 0.02 2 829 74 74 ASN C C 176.798 0.30 1 830 74 74 ASN CA C 55.863 0.30 1 831 74 74 ASN CB C 38.034 0.30 1 832 74 74 ASN N N 116.434 0.10 1 833 74 74 ASN ND2 N 105.800 0.10 1 834 75 75 LEU H H 8.635 0.02 1 835 75 75 LEU HA H 4.125 0.02 1 836 75 75 LEU HB2 H 1.901 0.02 2 837 75 75 LEU HB3 H 1.771 0.02 2 838 75 75 LEU HG H 1.790 0.02 1 839 75 75 LEU HD1 H 0.961 0.02 2 840 75 75 LEU HD2 H 0.963 0.02 2 841 75 75 LEU C C 178.901 0.30 1 842 75 75 LEU CA C 58.827 0.30 1 843 75 75 LEU CB C 40.984 0.30 1 844 75 75 LEU CG C 27.102 0.30 1 845 75 75 LEU CD1 C 24.534 0.30 2 846 75 75 LEU CD2 C 24.679 0.30 2 847 75 75 LEU N N 118.967 0.10 1 848 76 76 TRP H H 8.006 0.02 1 849 76 76 TRP HA H 4.579 0.02 1 850 76 76 TRP HB2 H 3.286 0.02 2 851 76 76 TRP HB3 H 3.400 0.02 2 852 76 76 TRP HD1 H 7.337 0.02 1 853 76 76 TRP HE1 H 10.217 0.02 1 854 76 76 TRP HE3 H 7.484 0.02 1 855 76 76 TRP HZ2 H 7.001 0.02 1 856 76 76 TRP HZ3 H 6.738 0.02 1 857 76 76 TRP HH2 H 6.605 0.02 1 858 76 76 TRP C C 179.550 0.30 1 859 76 76 TRP CA C 61.416 0.30 1 860 76 76 TRP CB C 29.098 0.30 1 861 76 76 TRP CZ2 C 113.906 0.30 1 862 76 76 TRP CH2 C 123.399 0.30 1 863 76 76 TRP N N 118.544 0.10 1 864 76 76 TRP NE1 N 128.067 0.10 1 865 77 77 ILE H H 8.893 0.02 1 866 77 77 ILE HA H 3.831 0.02 1 867 77 77 ILE HB H 2.173 0.02 1 868 77 77 ILE HG12 H 0.990 0.02 2 869 77 77 ILE HG13 H 0.990 0.02 2 870 77 77 ILE HG2 H 0.919 0.02 1 871 77 77 ILE HD1 H 0.856 0.02 1 872 77 77 ILE C C 181.254 0.30 1 873 77 77 ILE CA C 66.041 0.30 1 874 77 77 ILE CB C 37.350 0.30 1 875 77 77 ILE CG1 C 29.977 0.30 1 876 77 77 ILE CG2 C 18.054 0.30 1 877 77 77 ILE CD1 C 14.333 0.30 1 878 77 77 ILE N N 121.982 0.10 1 879 78 78 PHE H H 8.753 0.02 1 880 78 78 PHE HA H 4.044 0.02 1 881 78 78 PHE HB2 H 3.661 0.02 2 882 78 78 PHE HB3 H 3.132 0.02 2 883 78 78 PHE HD1 H 6.821 0.02 3 884 78 78 PHE HD2 H 6.821 0.02 3 885 78 78 PHE HE1 H 6.698 0.02 3 886 78 78 PHE HE2 H 6.698 0.02 3 887 78 78 PHE HZ H 7.136 0.02 1 888 78 78 PHE C C 176.268 0.30 1 889 78 78 PHE CA C 63.080 0.30 1 890 78 78 PHE CB C 38.710 0.30 1 891 78 78 PHE CD1 C 131.740 0.30 3 892 78 78 PHE CE1 C 131.702 0.30 3 893 78 78 PHE CZ C 129.302 0.30 1 894 78 78 PHE N N 123.458 0.10 1 895 79 79 VAL H H 8.232 0.02 1 896 79 79 VAL HA H 3.479 0.02 1 897 79 79 VAL HB H 2.508 0.02 1 898 79 79 VAL HG1 H 1.000 0.02 2 899 79 79 VAL HG2 H 1.032 0.02 2 900 79 79 VAL C C 179.904 0.30 1 901 79 79 VAL CA C 66.813 0.30 1 902 79 79 VAL CB C 31.572 0.30 1 903 79 79 VAL CG1 C 24.273 0.30 2 904 79 79 VAL CG2 C 22.240 0.30 2 905 79 79 VAL N N 117.726 0.10 1 906 80 80 SER H H 8.353 0.02 1 907 80 80 SER HA H 4.339 0.02 1 908 80 80 SER HB2 H 4.043 0.02 2 909 80 80 SER HB3 H 4.043 0.02 2 910 80 80 SER C C 174.911 0.30 1 911 80 80 SER CA C 61.337 0.30 1 912 80 80 SER CB C 62.712 0.30 1 913 80 80 SER N N 114.568 0.10 1 914 81 81 LYS H H 7.481 0.02 1 915 81 81 LYS HA H 4.198 0.02 1 916 81 81 LYS HB2 H 1.703 0.02 2 917 81 81 LYS HB3 H 1.727 0.02 2 918 81 81 LYS HG2 H 1.482 0.02 2 919 81 81 LYS HG3 H 1.418 0.02 2 920 81 81 LYS HD2 H 1.547 0.02 2 921 81 81 LYS HD3 H 1.547 0.02 2 922 81 81 LYS C C 176.955 0.30 1 923 81 81 LYS CA C 57.104 0.30 1 924 81 81 LYS CB C 30.659 0.30 1 925 81 81 LYS CG C 24.104 0.30 1 926 81 81 LYS CD C 28.008 0.30 1 927 81 81 LYS N N 121.180 0.10 1 928 82 82 PHE H H 8.256 0.02 1 929 82 82 PHE HA H 4.397 0.02 1 930 82 82 PHE HB2 H 3.492 0.02 2 931 82 82 PHE HB3 H 2.963 0.02 2 932 82 82 PHE HD1 H 7.319 0.02 3 933 82 82 PHE HD2 H 7.319 0.02 3 934 82 82 PHE HE1 H 6.737 0.02 3 935 82 82 PHE HE2 H 6.737 0.02 3 936 82 82 PHE C C 173.437 0.30 1 937 82 82 PHE CA C 58.398 0.30 1 938 82 82 PHE CB C 38.937 0.30 1 939 82 82 PHE CD1 C 132.649 0.30 3 940 82 82 PHE CE1 C 131.446 0.30 3 941 82 82 PHE N N 117.950 0.10 1 942 83 83 THR H H 7.665 0.02 1 943 83 83 THR HA H 4.988 0.02 1 944 83 83 THR HB H 4.356 0.02 1 945 83 83 THR HG2 H 1.354 0.02 1 946 83 83 THR C C 172.788 0.30 1 947 83 83 THR CA C 59.609 0.30 1 948 83 83 THR CB C 71.080 0.30 1 949 83 83 THR CG2 C 21.809 0.30 1 950 83 83 THR N N 109.995 0.10 1 951 84 84 GLU H H 8.409 0.02 1 952 84 84 GLU HA H 4.395 0.02 1 953 84 84 GLU HB2 H 1.686 0.02 2 954 84 84 GLU HB3 H 1.686 0.02 2 955 84 84 GLU HG2 H 1.922 0.02 2 956 84 84 GLU HG3 H 1.922 0.02 2 957 84 84 GLU C C 176.562 0.30 1 958 84 84 GLU CA C 56.496 0.30 1 959 84 84 GLU CB C 29.522 0.30 1 960 84 84 GLU CG C 35.893 0.30 1 961 84 84 GLU N N 119.416 0.10 1 962 85 85 PHE H H 8.210 0.02 1 963 85 85 PHE HA H 4.891 0.02 1 964 85 85 PHE HB2 H 3.147 0.02 2 965 85 85 PHE HB3 H 2.848 0.02 2 966 85 85 PHE HD1 H 7.213 0.02 3 967 85 85 PHE HD2 H 7.213 0.02 3 968 85 85 PHE HE1 H 7.380 0.02 3 969 85 85 PHE HE2 H 7.380 0.02 3 970 85 85 PHE C C 174.459 0.30 1 971 85 85 PHE CA C 56.109 0.30 1 972 85 85 PHE CB C 41.188 0.30 1 973 85 85 PHE CD1 C 131.104 0.30 3 974 85 85 PHE CE1 C 131.054 0.30 3 975 85 85 PHE N N 120.265 0.10 1 976 86 86 ASP H H 8.119 0.02 1 977 86 86 ASP HA H 4.736 0.02 1 978 86 86 ASP HB2 H 2.741 0.02 2 979 86 86 ASP HB3 H 3.058 0.02 2 980 86 86 ASP C C 175.636 0.30 1 981 86 86 ASP CA C 53.183 0.30 1 982 86 86 ASP CB C 42.533 0.30 1 983 86 86 ASP N N 118.128 0.10 1 984 87 87 ALA H H 8.757 0.02 1 985 87 87 ALA HA H 3.989 0.02 1 986 87 87 ALA HB H 1.524 0.02 1 987 87 87 ALA C C 179.028 0.30 1 988 87 87 ALA CA C 56.075 0.30 1 989 87 87 ALA CB C 20.207 0.30 1 990 87 87 ALA N N 121.912 0.10 1 991 88 88 ARG H H 8.147 0.02 1 992 88 88 ARG HA H 3.956 0.02 1 993 88 88 ARG HB2 H 1.699 0.02 2 994 88 88 ARG HB3 H 1.699 0.02 2 995 88 88 ARG C C 178.625 0.30 1 996 88 88 ARG CA C 59.252 0.30 1 997 88 88 ARG CB C 29.613 0.30 1 998 88 88 ARG CG C 27.541 0.30 1 999 88 88 ARG N N 117.072 0.10 1 1000 89 89 LYS H H 8.022 0.02 1 1001 89 89 LYS HA H 3.909 0.02 1 1002 89 89 LYS HB2 H 1.930 0.02 2 1003 89 89 LYS HB3 H 1.930 0.02 2 1004 89 89 LYS HG2 H 1.160 0.02 2 1005 89 89 LYS HG3 H 1.260 0.02 2 1006 89 89 LYS HD2 H 1.611 0.02 2 1007 89 89 LYS HD3 H 1.499 0.02 2 1008 89 89 LYS C C 178.155 0.30 1 1009 89 89 LYS CA C 58.986 0.30 1 1010 89 89 LYS CB C 32.334 0.30 1 1011 89 89 LYS CG C 25.171 0.30 1 1012 89 89 LYS CD C 29.233 0.30 1 1013 89 89 LYS N N 121.809 0.10 1 1014 90 90 LEU H H 8.139 0.02 1 1015 90 90 LEU HA H 3.744 0.02 1 1016 90 90 LEU HB2 H 1.768 0.02 2 1017 90 90 LEU HB3 H 1.899 0.02 2 1018 90 90 LEU HG H 1.790 0.02 1 1019 90 90 LEU HD1 H 0.934 0.02 2 1020 90 90 LEU HD2 H 0.989 0.02 2 1021 90 90 LEU C C 176.719 0.30 1 1022 90 90 LEU CA C 58.043 0.30 1 1023 90 90 LEU CB C 42.462 0.30 1 1024 90 90 LEU CG C 27.120 0.30 1 1025 90 90 LEU CD1 C 25.525 0.30 2 1026 90 90 LEU CD2 C 24.511 0.30 2 1027 90 90 LEU N N 118.429 0.10 1 1028 91 91 HIS H H 7.379 0.02 1 1029 91 91 HIS HA H 3.979 0.02 1 1030 91 91 HIS HB2 H 3.108 0.02 2 1031 91 91 HIS HB3 H 3.108 0.02 2 1032 91 91 HIS C C 178.069 0.30 1 1033 91 91 HIS CA C 58.178 0.30 1 1034 91 91 HIS CB C 29.428 0.30 1 1035 91 91 HIS N N 117.214 0.10 1 1036 92 92 LYS H H 7.599 0.02 1 1037 92 92 LYS HA H 3.635 0.02 1 1038 92 92 LYS HB2 H 1.818 0.02 2 1039 92 92 LYS HB3 H 1.818 0.02 2 1040 92 92 LYS C C 178.960 0.30 1 1041 92 92 LYS CA C 59.924 0.30 1 1042 92 92 LYS CB C 32.365 0.30 1 1043 92 92 LYS N N 118.466 0.10 1 1044 93 93 LEU H H 8.351 0.02 1 1045 93 93 LEU HA H 3.983 0.02 1 1046 93 93 LEU HB2 H 1.912 0.02 2 1047 93 93 LEU HB3 H 1.280 0.02 2 1048 93 93 LEU HG H 1.644 0.02 1 1049 93 93 LEU HD1 H 0.539 0.02 2 1050 93 93 LEU HD2 H 0.723 0.02 2 1051 93 93 LEU C C 179.919 0.30 1 1052 93 93 LEU CA C 58.000 0.30 1 1053 93 93 LEU CB C 42.339 0.30 1 1054 93 93 LEU CG C 26.796 0.30 1 1055 93 93 LEU CD1 C 25.496 0.30 2 1056 93 93 LEU CD2 C 22.800 0.30 2 1057 93 93 LEU N N 120.752 0.10 1 1058 94 94 TYR H H 8.290 0.02 1 1059 94 94 TYR HA H 4.136 0.02 1 1060 94 94 TYR HB2 H 3.161 0.02 2 1061 94 94 TYR HB3 H 3.202 0.02 2 1062 94 94 TYR HD1 H 7.133 0.02 3 1063 94 94 TYR HD2 H 7.133 0.02 3 1064 94 94 TYR HE1 H 7.055 0.02 3 1065 94 94 TYR HE2 H 7.055 0.02 3 1066 94 94 TYR C C 175.439 0.30 1 1067 94 94 TYR CA C 61.300 0.30 1 1068 94 94 TYR CB C 38.578 0.30 1 1069 94 94 TYR CD1 C 133.511 0.30 3 1070 94 94 TYR CE1 C 119.117 0.30 3 1071 94 94 TYR N N 122.311 0.10 1 1072 95 95 LYS H H 8.180 0.02 1 1073 95 95 LYS HA H 3.426 0.02 1 1074 95 95 LYS HB2 H 1.560 0.02 2 1075 95 95 LYS HB3 H 1.560 0.02 2 1076 95 95 LYS HG2 H 1.211 0.02 2 1077 95 95 LYS HG3 H 1.211 0.02 2 1078 95 95 LYS C C 179.334 0.30 1 1079 95 95 LYS CA C 59.379 0.30 1 1080 95 95 LYS CB C 31.248 0.30 1 1081 95 95 LYS CG C 25.066 0.30 1 1082 95 95 LYS N N 117.851 0.10 1 1083 96 96 HIS H H 8.049 0.02 1 1084 96 96 HIS HA H 4.213 0.02 1 1085 96 96 HIS HB2 H 3.136 0.02 2 1086 96 96 HIS HB3 H 3.136 0.02 2 1087 96 96 HIS C C 176.916 0.30 1 1088 96 96 HIS CA C 59.274 0.30 1 1089 96 96 HIS CB C 30.203 0.30 1 1090 96 96 HIS N N 117.611 0.10 1 1091 97 97 ALA H H 8.104 0.02 1 1092 97 97 ALA HA H 4.091 0.02 1 1093 97 97 ALA HB H 1.543 0.02 1 1094 97 97 ALA C C 180.002 0.30 1 1095 97 97 ALA CA C 54.645 0.30 1 1096 97 97 ALA CB C 17.769 0.30 1 1097 97 97 ALA N N 122.617 0.10 1 1098 98 98 ILE H H 7.636 0.02 1 1099 98 98 ILE HA H 4.109 0.02 1 1100 98 98 ILE HB H 1.952 0.02 1 1101 98 98 ILE HG12 H 1.030 0.02 2 1102 98 98 ILE HG13 H 1.080 0.02 2 1103 98 98 ILE HG2 H 0.720 0.02 1 1104 98 98 ILE HD1 H 0.644 0.02 1 1105 98 98 ILE C C 177.211 0.30 1 1106 98 98 ILE CA C 62.730 0.30 1 1107 98 98 ILE CB C 37.646 0.30 1 1108 98 98 ILE CG1 C 25.245 0.30 1 1109 98 98 ILE CG2 C 18.699 0.30 1 1110 98 98 ILE CD1 C 13.505 0.30 1 1111 98 98 ILE N N 111.626 0.10 1 1112 99 99 LYS H H 7.359 0.02 1 1113 99 99 LYS HA H 4.045 0.02 1 1114 99 99 LYS HB2 H 1.828 0.02 2 1115 99 99 LYS HB3 H 1.828 0.02 2 1116 99 99 LYS HG2 H 1.365 0.02 2 1117 99 99 LYS HG3 H 1.475 0.02 2 1118 99 99 LYS HD2 H 1.618 0.02 2 1119 99 99 LYS HD3 H 1.618 0.02 2 1120 99 99 LYS HE2 H 2.915 0.02 2 1121 99 99 LYS HE3 H 2.915 0.02 2 1122 99 99 LYS C C 177.761 0.30 1 1123 99 99 LYS CA C 59.070 0.30 1 1124 99 99 LYS CB C 32.172 0.30 1 1125 99 99 LYS CG C 24.593 0.30 1 1126 99 99 LYS CD C 29.266 0.30 1 1127 99 99 LYS CE C 42.036 0.30 1 1128 99 99 LYS N N 124.158 0.10 1 1129 100 100 LYS H H 7.937 0.02 1 1130 100 100 LYS HA H 4.143 0.02 1 1131 100 100 LYS HB2 H 1.828 0.02 2 1132 100 100 LYS HB3 H 1.724 0.02 2 1133 100 100 LYS HG2 H 1.368 0.02 2 1134 100 100 LYS HG3 H 1.336 0.02 2 1135 100 100 LYS HD2 H 1.614 0.02 2 1136 100 100 LYS HD3 H 1.614 0.02 2 1137 100 100 LYS HE2 H 2.912 0.02 2 1138 100 100 LYS HE3 H 2.912 0.02 2 1139 100 100 LYS C C 177.761 0.30 1 1140 100 100 LYS CA C 57.212 0.30 1 1141 100 100 LYS CB C 31.742 0.30 1 1142 100 100 LYS CG C 24.834 0.30 1 1143 100 100 LYS CD C 28.500 0.30 1 1144 100 100 LYS CE C 41.798 0.30 1 1145 100 100 LYS N N 118.333 0.10 1 1146 101 101 ARG H H 7.895 0.02 1 1147 101 101 ARG HA H 4.129 0.02 1 1148 101 101 ARG HB2 H 1.866 0.02 2 1149 101 101 ARG HB3 H 2.016 0.02 2 1150 101 101 ARG HG2 H 1.653 0.02 2 1151 101 101 ARG HG3 H 1.735 0.02 2 1152 101 101 ARG HD2 H 3.128 0.02 2 1153 101 101 ARG HD3 H 3.214 0.02 2 1154 101 101 ARG C C 177.191 0.30 1 1155 101 101 ARG CA C 58.166 0.30 1 1156 101 101 ARG CB C 30.591 0.30 1 1157 101 101 ARG CG C 26.937 0.30 1 1158 101 101 ARG CD C 44.140 0.30 1 1159 101 101 ARG N N 121.125 0.10 1 1160 102 102 GLN H H 8.167 0.02 1 1161 102 102 GLN HA H 4.207 0.02 1 1162 102 102 GLN HB2 H 2.153 0.02 2 1163 102 102 GLN HB3 H 2.135 0.02 2 1164 102 102 GLN HG2 H 2.420 0.02 2 1165 102 102 GLN HG3 H 2.420 0.02 2 1166 102 102 GLN C C 176.779 0.30 1 1167 102 102 GLN CA C 56.912 0.30 1 1168 102 102 GLN CB C 28.921 0.30 1 1169 102 102 GLN CG C 35.639 0.30 1 1170 102 102 GLN N N 119.756 0.10 1 1171 103 103 GLU H H 8.189 0.02 1 1172 103 103 GLU HA H 4.200 0.02 1 1173 103 103 GLU HB2 H 2.051 0.02 2 1174 103 103 GLU HB3 H 2.051 0.02 2 1175 103 103 GLU HG2 H 2.265 0.02 2 1176 103 103 GLU HG3 H 2.378 0.02 2 1177 103 103 GLU C C 176.936 0.30 1 1178 103 103 GLU CA C 57.505 0.30 1 1179 103 103 GLU CB C 29.924 0.30 1 1180 103 103 GLU CG C 36.422 0.30 1 1181 103 103 GLU N N 120.553 0.10 1 1182 104 104 SER H H 8.099 0.02 1 1183 104 104 SER HA H 4.431 0.02 1 1184 104 104 SER HB2 H 3.926 0.02 2 1185 104 104 SER HB3 H 3.926 0.02 2 1186 104 104 SER C C 174.400 0.30 1 1187 104 104 SER CA C 59.154 0.30 1 1188 104 104 SER CB C 63.456 0.30 1 1189 104 104 SER N N 115.381 0.10 1 1190 105 105 GLN H H 8.170 0.02 1 1191 105 105 GLN HA H 4.335 0.02 1 1192 105 105 GLN HB2 H 2.137 0.02 2 1193 105 105 GLN HB3 H 2.030 0.02 2 1194 105 105 GLN HG2 H 2.381 0.02 2 1195 105 105 GLN HG3 H 2.409 0.02 2 1196 105 105 GLN C C 177.008 0.30 1 1197 105 105 GLN CA C 56.053 0.30 1 1198 105 105 GLN CB C 29.128 0.30 1 1199 105 105 GLN CG C 33.824 0.30 1 1200 105 105 GLN N N 121.635 0.10 1 1201 106 106 GLN H H 8.281 0.02 1 1202 106 106 GLN HA H 4.331 0.02 1 1203 106 106 GLN HB2 H 2.131 0.02 2 1204 106 106 GLN HB3 H 2.008 0.02 2 1205 106 106 GLN HG2 H 2.385 0.02 2 1206 106 106 GLN HG3 H 2.385 0.02 2 1207 106 106 GLN C C 175.363 0.30 1 1208 106 106 GLN CA C 55.951 0.30 1 1209 106 106 GLN CB C 29.254 0.30 1 1210 106 106 GLN CG C 33.971 0.30 1 1211 106 106 GLN N N 120.850 0.10 1 1212 107 107 ASN H H 8.434 0.02 1 1213 107 107 ASN HA H 4.790 0.02 1 1214 107 107 ASN HB2 H 2.748 0.02 2 1215 107 107 ASN HB3 H 2.857 0.02 2 1216 107 107 ASN C C 173.987 0.30 1 1217 107 107 ASN CA C 53.353 0.30 1 1218 107 107 ASN CB C 39.094 0.30 1 1219 107 107 ASN N N 120.271 0.10 1 1220 108 108 SER H H 7.920 0.02 1 1221 108 108 SER HA H 4.252 0.02 1 1222 108 108 SER C C 178.253 0.30 1 1223 108 108 SER CA C 60.136 0.30 1 1224 108 108 SER CB C 64.866 0.30 1 1225 108 108 SER N N 121.651 0.10 1 stop_ save_