data_30444 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Extraterminal (ET) Domain of BRD2 ; _BMRB_accession_number 30444 _BMRB_flat_file_name bmr30444.str _Entry_type original _Submission_date 2018-03-26 _Accession_date 2018-03-26 _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 Houliston S. . . 2 Lemak A. . . 3 Picaud S. . . 4 Filippakopoulos P. . . 5 Arrowsmith C. H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 736 "13C chemical shifts" 528 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-01 original BMRB . stop_ _Original_release_date 2018-04-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the Extraterminal (ET) Domain of BRD2 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Houliston S. . . 2 Lemak A. . . 3 Picaud S. . . 4 Filippakopoulos P. . . 5 Arrowsmith C. H. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bromodomain-containing protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 15275.450 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; SMKTAPPALPTGYDSEEEEE SRPMSYDEKRQLSLDINKLP GEKLGRVVHIIQAREPSLRD SNPEEIEIDFETLKPSTLRE LERYVLSCLRKKPRKPYTIK KPVGKTKEELALEKKRELEK RLQDVSGQLNST ; loop_ _Residue_seq_code _Residue_label 1 SER 2 MET 3 LYS 4 THR 5 ALA 6 PRO 7 PRO 8 ALA 9 LEU 10 PRO 11 THR 12 GLY 13 TYR 14 ASP 15 SER 16 GLU 17 GLU 18 GLU 19 GLU 20 GLU 21 SER 22 ARG 23 PRO 24 MET 25 SER 26 TYR 27 ASP 28 GLU 29 LYS 30 ARG 31 GLN 32 LEU 33 SER 34 LEU 35 ASP 36 ILE 37 ASN 38 LYS 39 LEU 40 PRO 41 GLY 42 GLU 43 LYS 44 LEU 45 GLY 46 ARG 47 VAL 48 VAL 49 HIS 50 ILE 51 ILE 52 GLN 53 ALA 54 ARG 55 GLU 56 PRO 57 SER 58 LEU 59 ARG 60 ASP 61 SER 62 ASN 63 PRO 64 GLU 65 GLU 66 ILE 67 GLU 68 ILE 69 ASP 70 PHE 71 GLU 72 THR 73 LEU 74 LYS 75 PRO 76 SER 77 THR 78 LEU 79 ARG 80 GLU 81 LEU 82 GLU 83 ARG 84 TYR 85 VAL 86 LEU 87 SER 88 CYS 89 LEU 90 ARG 91 LYS 92 LYS 93 PRO 94 ARG 95 LYS 96 PRO 97 TYR 98 THR 99 ILE 100 LYS 101 LYS 102 PRO 103 VAL 104 GLY 105 LYS 106 THR 107 LYS 108 GLU 109 GLU 110 LEU 111 ALA 112 LEU 113 GLU 114 LYS 115 LYS 116 ARG 117 GLU 118 LEU 119 GLU 120 LYS 121 ARG 122 LEU 123 GLN 124 ASP 125 VAL 126 SER 127 GLY 128 GLN 129 LEU 130 ASN 131 SER 132 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'BRD2, KIAA9001, RING3' 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 . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '250 uM [U-13C; U-15N] BRD2-ET, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 250 uM '[U-13C; U-15N]' NaCl 500 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name ABACUS _Version . loop_ _Vendor _Address _Electronic_address 'Lemak and Arrowsmith' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 500 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 external indirect . . . 0.251 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '2D 1H-13C HSQC aliphatic' '2D 1H-15N HSQC' '3D HNCA' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_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 3 3 LYS HA H 4.383 0.04 1 2 3 3 LYS HB2 H 1.774 0.04 2 3 3 3 LYS HB3 H 1.774 0.04 2 4 3 3 LYS HG2 H 1.422 0.04 2 5 3 3 LYS HG3 H 1.422 0.04 2 6 3 3 LYS HD2 H 1.688 0.04 2 7 3 3 LYS HD3 H 1.688 0.04 2 8 3 3 LYS HE2 H 3.007 0.04 2 9 3 3 LYS HE3 H 3.007 0.04 2 10 3 3 LYS CA C 56.628 0.40 1 11 3 3 LYS CB C 33.059 0.40 1 12 3 3 LYS CG C 24.836 0.40 1 13 3 3 LYS CD C 29.262 0.40 1 14 3 3 LYS CE C 42.271 0.40 1 15 4 4 THR H H 8.076 0.04 1 16 4 4 THR HA H 4.303 0.04 1 17 4 4 THR HB H 4.164 0.04 1 18 4 4 THR HG2 H 1.199 0.04 1 19 4 4 THR C C 173.811 0.40 1 20 4 4 THR CA C 61.615 0.40 1 21 4 4 THR CB C 70.026 0.40 1 22 4 4 THR CG2 C 21.766 0.40 1 23 4 4 THR N N 115.592 0.40 1 24 5 5 ALA H H 8.266 0.04 1 25 5 5 ALA HA H 4.611 0.04 1 26 5 5 ALA HB H 1.346 0.04 1 27 5 5 ALA CA C 50.551 0.40 1 28 5 5 ALA CB C 18.351 0.40 1 29 5 5 ALA N N 128.019 0.40 1 30 6 6 PRO HA H 4.684 0.04 1 31 6 6 PRO HB2 H 1.894 0.04 2 32 6 6 PRO HB3 H 2.342 0.04 2 33 6 6 PRO HG2 H 2.032 0.04 2 34 6 6 PRO HG3 H 2.032 0.04 2 35 6 6 PRO HD2 H 3.617 0.04 2 36 6 6 PRO HD3 H 3.819 0.04 2 37 6 6 PRO CA C 61.447 0.40 1 38 6 6 PRO CB C 30.839 0.40 1 39 6 6 PRO CG C 27.465 0.40 1 40 6 6 PRO CD C 50.593 0.40 1 41 7 7 PRO HA H 4.384 0.04 1 42 7 7 PRO HB2 H 1.870 0.04 2 43 7 7 PRO HB3 H 2.275 0.04 2 44 7 7 PRO HG2 H 2.010 0.04 2 45 7 7 PRO HG3 H 2.010 0.04 2 46 7 7 PRO HD2 H 3.627 0.04 2 47 7 7 PRO HD3 H 3.791 0.04 2 48 7 7 PRO C C 176.494 0.40 1 49 7 7 PRO CA C 62.933 0.40 1 50 7 7 PRO CB C 32.124 0.40 1 51 7 7 PRO CG C 27.391 0.40 1 52 7 7 PRO CD C 50.654 0.40 1 53 8 8 ALA H H 8.261 0.04 1 54 8 8 ALA HA H 4.292 0.04 1 55 8 8 ALA HB H 1.343 0.04 1 56 8 8 ALA C C 177.455 0.40 1 57 8 8 ALA CA C 52.151 0.40 1 58 8 8 ALA CB C 19.351 0.40 1 59 8 8 ALA N N 124.187 0.40 1 60 9 9 LEU H H 8.141 0.04 1 61 9 9 LEU HA H 4.591 0.04 1 62 9 9 LEU HB2 H 1.479 0.04 2 63 9 9 LEU HB3 H 1.549 0.04 2 64 9 9 LEU HG H 1.647 0.04 1 65 9 9 LEU HD1 H 0.885 0.04 2 66 9 9 LEU HD2 H 0.859 0.04 2 67 9 9 LEU CA C 52.872 0.40 1 68 9 9 LEU CB C 41.926 0.40 1 69 9 9 LEU CG C 27.057 0.40 1 70 9 9 LEU CD1 C 25.128 0.40 2 71 9 9 LEU CD2 C 23.552 0.40 2 72 9 9 LEU N N 122.756 0.40 1 73 10 10 PRO HA H 4.486 0.04 1 74 10 10 PRO HB2 H 1.905 0.04 2 75 10 10 PRO HB3 H 2.275 0.04 2 76 10 10 PRO HG2 H 1.972 0.04 2 77 10 10 PRO HG3 H 1.972 0.04 2 78 10 10 PRO HD2 H 3.621 0.04 2 79 10 10 PRO HD3 H 3.811 0.04 2 80 10 10 PRO C C 177.165 0.40 1 81 10 10 PRO CA C 63.136 0.40 1 82 10 10 PRO CB C 32.202 0.40 1 83 10 10 PRO CG C 27.488 0.40 1 84 10 10 PRO CD C 50.883 0.40 1 85 11 11 THR H H 8.209 0.04 1 86 11 11 THR HA H 4.234 0.04 1 87 11 11 THR HB H 4.234 0.04 1 88 11 11 THR C C 175.326 0.40 1 89 11 11 THR CA C 62.190 0.40 1 90 11 11 THR CB C 69.930 0.40 1 91 11 11 THR N N 113.984 0.40 1 92 12 12 GLY H H 8.371 0.04 1 93 12 12 GLY HA2 H 3.949 0.04 2 94 12 12 GLY HA3 H 3.949 0.04 2 95 12 12 GLY C C 173.951 0.40 1 96 12 12 GLY CA C 45.341 0.40 1 97 12 12 GLY N N 110.980 0.40 1 98 13 13 TYR H H 8.003 0.04 1 99 13 13 TYR HA H 4.557 0.04 1 100 13 13 TYR HB2 H 2.925 0.04 2 101 13 13 TYR HB3 H 3.054 0.04 2 102 13 13 TYR HD1 H 7.072 0.04 3 103 13 13 TYR HD2 H 7.072 0.04 3 104 13 13 TYR HE1 H 6.799 0.04 3 105 13 13 TYR HE2 H 6.799 0.04 3 106 13 13 TYR C C 175.505 0.40 1 107 13 13 TYR CA C 58.009 0.40 1 108 13 13 TYR CB C 38.931 0.40 1 109 13 13 TYR CD1 C 133.299 0.40 3 110 13 13 TYR CE1 C 118.300 0.40 3 111 13 13 TYR N N 119.990 0.40 1 112 14 14 ASP H H 8.354 0.04 1 113 14 14 ASP HA H 4.604 0.04 1 114 14 14 ASP HB2 H 2.572 0.04 2 115 14 14 ASP HB3 H 2.673 0.04 2 116 14 14 ASP C C 176.072 0.40 1 117 14 14 ASP CA C 54.194 0.40 1 118 14 14 ASP CB C 41.460 0.40 1 119 14 14 ASP N N 122.333 0.40 1 120 15 15 SER H H 8.140 0.04 1 121 15 15 SER HA H 4.398 0.04 1 122 15 15 SER HB2 H 3.837 0.04 2 123 15 15 SER HB3 H 3.919 0.04 2 124 15 15 SER C C 174.809 0.40 1 125 15 15 SER CA C 58.667 0.40 1 126 15 15 SER CB C 64.048 0.40 1 127 15 15 SER N N 116.244 0.40 1 128 16 16 GLU H H 8.476 0.04 1 129 16 16 GLU HA H 4.265 0.04 1 130 16 16 GLU HB2 H 1.953 0.04 2 131 16 16 GLU HB3 H 2.046 0.04 2 132 16 16 GLU HG2 H 2.251 0.04 2 133 16 16 GLU HG3 H 2.278 0.04 2 134 16 16 GLU C C 176.767 0.40 1 135 16 16 GLU CA C 56.879 0.40 1 136 16 16 GLU CB C 30.169 0.40 1 137 16 16 GLU CG C 36.334 0.40 1 138 16 16 GLU N N 122.645 0.40 1 139 17 17 GLU H H 8.284 0.04 1 140 17 17 GLU HA H 4.248 0.04 1 141 17 17 GLU HB2 H 1.912 0.04 2 142 17 17 GLU HB3 H 2.022 0.04 2 143 17 17 GLU HG2 H 2.252 0.04 2 144 17 17 GLU HG3 H 2.252 0.04 2 145 17 17 GLU C C 176.780 0.40 1 146 17 17 GLU CA C 56.718 0.40 1 147 17 17 GLU CB C 30.367 0.40 1 148 17 17 GLU CG C 36.504 0.40 1 149 17 17 GLU N N 121.131 0.40 1 150 18 18 GLU H H 8.353 0.04 1 151 18 18 GLU HA H 4.251 0.04 1 152 18 18 GLU HB2 H 1.943 0.04 2 153 18 18 GLU HB3 H 2.011 0.04 2 154 18 18 GLU HG2 H 2.235 0.04 2 155 18 18 GLU HG3 H 2.235 0.04 2 156 18 18 GLU C C 176.858 0.40 1 157 18 18 GLU CA C 56.879 0.40 1 158 18 18 GLU CB C 30.320 0.40 1 159 18 18 GLU CG C 36.351 0.40 1 160 18 18 GLU N N 121.927 0.40 1 161 19 19 GLU H H 8.397 0.04 1 162 19 19 GLU HA H 4.200 0.04 1 163 19 19 GLU HB2 H 1.987 0.04 2 164 19 19 GLU HB3 H 1.987 0.04 2 165 19 19 GLU C C 176.944 0.40 1 166 19 19 GLU CA C 56.890 0.40 1 167 19 19 GLU CB C 30.413 0.40 1 168 19 19 GLU N N 121.943 0.40 1 169 20 20 GLU H H 8.415 0.04 1 170 20 20 GLU HA H 4.252 0.04 1 171 20 20 GLU HB2 H 1.965 0.04 2 172 20 20 GLU HB3 H 2.037 0.04 2 173 20 20 GLU HG2 H 2.276 0.04 2 174 20 20 GLU HG3 H 2.276 0.04 2 175 20 20 GLU C C 176.512 0.40 1 176 20 20 GLU CA C 56.897 0.40 1 177 20 20 GLU CB C 30.126 0.40 1 178 20 20 GLU CG C 36.452 0.40 1 179 20 20 GLU N N 121.442 0.40 1 180 21 21 SER H H 8.203 0.04 1 181 21 21 SER HA H 4.418 0.04 1 182 21 21 SER HB2 H 3.702 0.04 2 183 21 21 SER HB3 H 3.763 0.04 2 184 21 21 SER C C 173.657 0.40 1 185 21 21 SER CA C 58.163 0.40 1 186 21 21 SER CB C 63.969 0.40 1 187 21 21 SER N N 116.671 0.40 1 188 22 22 ARG H H 8.283 0.04 1 189 22 22 ARG N N 124.613 0.40 1 190 23 23 PRO HA H 4.329 0.04 1 191 23 23 PRO HB2 H 1.830 0.04 2 192 23 23 PRO HB3 H 2.355 0.04 2 193 23 23 PRO HG2 H 1.964 0.04 2 194 23 23 PRO HG3 H 1.964 0.04 2 195 23 23 PRO HD2 H 3.604 0.04 2 196 23 23 PRO HD3 H 3.798 0.04 2 197 23 23 PRO C C 177.018 0.40 1 198 23 23 PRO CA C 63.251 0.40 1 199 23 23 PRO CB C 32.269 0.40 1 200 23 23 PRO CG C 27.547 0.40 1 201 23 23 PRO CD C 50.663 0.40 1 202 24 24 MET H H 8.613 0.04 1 203 24 24 MET HA H 4.569 0.04 1 204 24 24 MET HB2 H 1.713 0.04 2 205 24 24 MET HB3 H 1.745 0.04 2 206 24 24 MET HG2 H 2.279 0.04 2 207 24 24 MET HG3 H 2.583 0.04 2 208 24 24 MET HE H 1.806 0.04 1 209 24 24 MET C C 176.794 0.40 1 210 24 24 MET CA C 56.118 0.40 1 211 24 24 MET CB C 35.587 0.40 1 212 24 24 MET CG C 34.368 0.40 1 213 24 24 MET CE C 18.890 0.40 1 214 24 24 MET N N 122.205 0.40 1 215 25 25 SER H H 9.178 0.04 1 216 25 25 SER HA H 4.725 0.04 1 217 25 25 SER HB2 H 4.050 0.04 2 218 25 25 SER HB3 H 4.474 0.04 2 219 25 25 SER C C 174.305 0.40 1 220 25 25 SER CA C 57.129 0.40 1 221 25 25 SER CB C 63.969 0.40 1 222 25 25 SER N N 119.831 0.40 1 223 26 26 TYR HA H 4.107 0.04 1 224 26 26 TYR HB2 H 3.031 0.04 2 225 26 26 TYR HB3 H 3.257 0.04 2 226 26 26 TYR HD1 H 7.194 0.04 3 227 26 26 TYR HD2 H 7.194 0.04 3 228 26 26 TYR HE1 H 6.833 0.04 3 229 26 26 TYR HE2 H 6.833 0.04 3 230 26 26 TYR C C 178.006 0.40 1 231 26 26 TYR CA C 62.514 0.40 1 232 26 26 TYR CB C 38.145 0.40 1 233 26 26 TYR CD1 C 133.608 0.40 3 234 26 26 TYR CE1 C 118.182 0.40 3 235 27 27 ASP H H 8.498 0.04 1 236 27 27 ASP HA H 4.262 0.04 1 237 27 27 ASP HB2 H 2.557 0.04 2 238 27 27 ASP HB3 H 2.634 0.04 2 239 27 27 ASP C C 179.136 0.40 1 240 27 27 ASP CA C 57.436 0.40 1 241 27 27 ASP CB C 40.852 0.40 1 242 27 27 ASP N N 118.183 0.40 1 243 28 28 GLU H H 7.794 0.04 1 244 28 28 GLU HA H 3.977 0.04 1 245 28 28 GLU HB2 H 1.962 0.04 2 246 28 28 GLU HB3 H 1.962 0.04 2 247 28 28 GLU HG2 H 2.238 0.04 2 248 28 28 GLU HG3 H 2.438 0.04 2 249 28 28 GLU C C 179.514 0.40 1 250 28 28 GLU CA C 59.597 0.40 1 251 28 28 GLU CB C 30.330 0.40 1 252 28 28 GLU CG C 38.054 0.40 1 253 28 28 GLU N N 120.826 0.40 1 254 29 29 LYS H H 8.167 0.04 1 255 29 29 LYS HA H 3.752 0.04 1 256 29 29 LYS HB2 H 1.705 0.04 2 257 29 29 LYS HB3 H 1.820 0.04 2 258 29 29 LYS HD2 H 1.193 0.04 2 259 29 29 LYS HD3 H 1.489 0.04 2 260 29 29 LYS HE2 H 2.731 0.04 2 261 29 29 LYS HE3 H 2.807 0.04 2 262 29 29 LYS C C 178.400 0.40 1 263 29 29 LYS CA C 60.391 0.40 1 264 29 29 LYS CB C 32.585 0.40 1 265 29 29 LYS CD C 27.459 0.40 1 266 29 29 LYS CE C 41.928 0.40 1 267 29 29 LYS N N 120.835 0.40 1 268 30 30 ARG H H 8.088 0.04 1 269 30 30 ARG HA H 3.816 0.04 1 270 30 30 ARG HB2 H 1.590 0.04 2 271 30 30 ARG HB3 H 1.802 0.04 2 272 30 30 ARG HG2 H 1.394 0.04 2 273 30 30 ARG HG3 H 1.525 0.04 2 274 30 30 ARG HD2 H 3.091 0.04 2 275 30 30 ARG HD3 H 3.185 0.04 2 276 30 30 ARG C C 179.014 0.40 1 277 30 30 ARG CA C 59.047 0.40 1 278 30 30 ARG CB C 29.503 0.40 1 279 30 30 ARG CG C 26.851 0.40 1 280 30 30 ARG CD C 43.297 0.40 1 281 30 30 ARG N N 120.318 0.40 1 282 31 31 GLN H H 7.963 0.04 1 283 31 31 GLN HA H 3.791 0.04 1 284 31 31 GLN HB2 H 2.044 0.04 2 285 31 31 GLN HB3 H 2.132 0.04 2 286 31 31 GLN HG2 H 2.371 0.04 2 287 31 31 GLN HG3 H 2.371 0.04 2 288 31 31 GLN HE21 H 6.796 0.04 2 289 31 31 GLN HE22 H 7.846 0.04 2 290 31 31 GLN C C 177.117 0.40 1 291 31 31 GLN CA C 58.268 0.40 1 292 31 31 GLN CB C 28.418 0.40 1 293 31 31 GLN CG C 33.468 0.40 1 294 31 31 GLN N N 119.155 0.40 1 295 31 31 GLN NE2 N 116.733 0.40 1 296 32 32 LEU H H 7.932 0.04 1 297 32 32 LEU HA H 4.331 0.04 1 298 32 32 LEU HB2 H 1.481 0.04 2 299 32 32 LEU HB3 H 1.838 0.04 2 300 32 32 LEU HG H 1.717 0.04 1 301 32 32 LEU HD1 H 0.816 0.04 2 302 32 32 LEU HD2 H 0.915 0.04 2 303 32 32 LEU C C 178.300 0.40 1 304 32 32 LEU CA C 57.865 0.40 1 305 32 32 LEU CB C 41.300 0.40 1 306 32 32 LEU CG C 26.888 0.40 1 307 32 32 LEU CD1 C 25.529 0.40 2 308 32 32 LEU CD2 C 23.294 0.40 2 309 32 32 LEU N N 120.046 0.40 1 310 33 33 SER H H 7.790 0.04 1 311 33 33 SER HA H 3.927 0.04 1 312 33 33 SER HB2 H 3.689 0.04 2 313 33 33 SER HB3 H 3.754 0.04 2 314 33 33 SER C C 176.889 0.40 1 315 33 33 SER CA C 61.600 0.40 1 316 33 33 SER CB C 62.957 0.40 1 317 33 33 SER N N 112.532 0.40 1 318 34 34 LEU H H 7.685 0.04 1 319 34 34 LEU HA H 4.032 0.04 1 320 34 34 LEU HB2 H 1.429 0.04 2 321 34 34 LEU HB3 H 1.913 0.04 2 322 34 34 LEU HG H 1.755 0.04 1 323 34 34 LEU HD1 H 0.836 0.04 2 324 34 34 LEU HD2 H 0.854 0.04 2 325 34 34 LEU C C 180.101 0.40 1 326 34 34 LEU CA C 57.940 0.40 1 327 34 34 LEU CB C 41.805 0.40 1 328 34 34 LEU CG C 26.649 0.40 1 329 34 34 LEU CD1 C 25.343 0.40 2 330 34 34 LEU CD2 C 23.134 0.40 2 331 34 34 LEU N N 121.308 0.40 1 332 35 35 ASP H H 8.591 0.04 1 333 35 35 ASP HA H 4.334 0.04 1 334 35 35 ASP HB2 H 2.401 0.04 2 335 35 35 ASP HB3 H 2.779 0.04 2 336 35 35 ASP C C 179.722 0.40 1 337 35 35 ASP CA C 57.840 0.40 1 338 35 35 ASP CB C 40.475 0.40 1 339 35 35 ASP N N 121.334 0.40 1 340 36 36 ILE H H 8.661 0.04 1 341 36 36 ILE HA H 3.656 0.04 1 342 36 36 ILE HB H 2.029 0.04 1 343 36 36 ILE HG12 H 1.069 0.04 2 344 36 36 ILE HG13 H 1.971 0.04 2 345 36 36 ILE HG2 H 0.972 0.04 1 346 36 36 ILE HD1 H 0.973 0.04 1 347 36 36 ILE C C 178.088 0.40 1 348 36 36 ILE CA C 65.600 0.40 1 349 36 36 ILE CB C 37.733 0.40 1 350 36 36 ILE CG1 C 31.395 0.40 1 351 36 36 ILE CG2 C 17.482 0.40 1 352 36 36 ILE CD1 C 14.254 0.40 1 353 36 36 ILE N N 120.590 0.40 1 354 37 37 ASN H H 7.435 0.04 1 355 37 37 ASN HA H 4.626 0.04 1 356 37 37 ASN HB2 H 2.919 0.04 2 357 37 37 ASN HB3 H 2.919 0.04 2 358 37 37 ASN HD21 H 7.558 0.04 2 359 37 37 ASN HD22 H 6.922 0.04 2 360 37 37 ASN C C 176.039 0.40 1 361 37 37 ASN CA C 55.115 0.40 1 362 37 37 ASN CB C 38.848 0.40 1 363 37 37 ASN N N 115.736 0.40 1 364 37 37 ASN ND2 N 112.184 0.40 1 365 38 38 LYS H H 7.566 0.04 1 366 38 38 LYS HA H 4.364 0.04 1 367 38 38 LYS HB2 H 1.994 0.04 2 368 38 38 LYS HB3 H 1.994 0.04 2 369 38 38 LYS HG2 H 1.463 0.04 2 370 38 38 LYS HG3 H 1.463 0.04 2 371 38 38 LYS HD2 H 1.646 0.04 2 372 38 38 LYS HD3 H 1.740 0.04 2 373 38 38 LYS HE2 H 2.905 0.04 2 374 38 38 LYS HE3 H 2.992 0.04 2 375 38 38 LYS C C 177.328 0.40 1 376 38 38 LYS CA C 56.616 0.40 1 377 38 38 LYS CB C 33.632 0.40 1 378 38 38 LYS CG C 25.368 0.40 1 379 38 38 LYS CD C 29.662 0.40 1 380 38 38 LYS CE C 42.480 0.40 1 381 38 38 LYS N N 117.828 0.40 1 382 39 39 LEU H H 7.525 0.04 1 383 39 39 LEU HA H 4.344 0.04 1 384 39 39 LEU HB2 H 1.346 0.04 2 385 39 39 LEU HB3 H 2.016 0.04 2 386 39 39 LEU HG H 2.181 0.04 1 387 39 39 LEU HD1 H 1.006 0.04 2 388 39 39 LEU HD2 H 0.845 0.04 2 389 39 39 LEU CA C 53.543 0.40 1 390 39 39 LEU CB C 41.528 0.40 1 391 39 39 LEU CG C 26.259 0.40 1 392 39 39 LEU CD1 C 26.694 0.40 2 393 39 39 LEU CD2 C 23.316 0.40 2 394 39 39 LEU N N 120.836 0.40 1 395 40 40 PRO HA H 4.640 0.04 1 396 40 40 PRO HB2 H 2.074 0.04 2 397 40 40 PRO HB3 H 2.509 0.04 2 398 40 40 PRO HG2 H 2.211 0.04 2 399 40 40 PRO HG3 H 2.035 0.04 2 400 40 40 PRO HD2 H 3.416 0.04 2 401 40 40 PRO HD3 H 3.951 0.04 2 402 40 40 PRO C C 178.451 0.40 1 403 40 40 PRO CA C 62.383 0.40 1 404 40 40 PRO CB C 32.573 0.40 1 405 40 40 PRO CG C 27.901 0.40 1 406 40 40 PRO CD C 50.432 0.40 1 407 41 41 GLY H H 8.903 0.04 1 408 41 41 GLY HA2 H 3.776 0.04 2 409 41 41 GLY HA3 H 4.092 0.04 2 410 41 41 GLY C C 173.975 0.40 1 411 41 41 GLY CA C 48.307 0.40 1 412 41 41 GLY N N 110.367 0.40 1 413 42 42 GLU H H 9.413 0.04 1 414 42 42 GLU HA H 4.287 0.04 1 415 42 42 GLU HB2 H 2.121 0.04 2 416 42 42 GLU HB3 H 2.121 0.04 2 417 42 42 GLU HG2 H 2.288 0.04 2 418 42 42 GLU HG3 H 2.355 0.04 2 419 42 42 GLU C C 176.900 0.40 1 420 42 42 GLU CA C 59.174 0.40 1 421 42 42 GLU CB C 28.821 0.40 1 422 42 42 GLU CG C 36.178 0.40 1 423 42 42 GLU N N 120.170 0.40 1 424 43 43 LYS H H 7.765 0.04 1 425 43 43 LYS HA H 4.561 0.04 1 426 43 43 LYS HB2 H 1.723 0.04 2 427 43 43 LYS HB3 H 1.801 0.04 2 428 43 43 LYS C C 178.800 0.40 1 429 43 43 LYS CA C 56.200 0.40 1 430 43 43 LYS CB C 33.128 0.40 1 431 43 43 LYS N N 116.954 0.40 1 432 44 44 LEU H H 7.990 0.04 1 433 44 44 LEU HA H 4.158 0.04 1 434 44 44 LEU HB2 H 1.757 0.04 2 435 44 44 LEU HB3 H 1.757 0.04 2 436 44 44 LEU HG H 1.713 0.04 1 437 44 44 LEU HD1 H 0.952 0.04 2 438 44 44 LEU HD2 H 0.966 0.04 2 439 44 44 LEU C C 179.150 0.40 1 440 44 44 LEU CA C 57.898 0.40 1 441 44 44 LEU CB C 41.720 0.40 1 442 44 44 LEU CG C 27.054 0.40 1 443 44 44 LEU CD1 C 24.571 0.40 2 444 44 44 LEU CD2 C 23.967 0.40 2 445 44 44 LEU N N 122.206 0.40 1 446 45 45 GLY H H 8.236 0.04 1 447 45 45 GLY HA2 H 3.768 0.04 2 448 45 45 GLY HA3 H 3.922 0.04 2 449 45 45 GLY C C 176.289 0.40 1 450 45 45 GLY CA C 47.295 0.40 1 451 45 45 GLY N N 106.280 0.40 1 452 46 46 ARG H H 7.429 0.04 1 453 46 46 ARG HA H 4.081 0.04 1 454 46 46 ARG HB2 H 1.695 0.04 2 455 46 46 ARG HB3 H 1.847 0.04 2 456 46 46 ARG HG2 H 1.373 0.04 2 457 46 46 ARG HG3 H 1.436 0.04 2 458 46 46 ARG HD2 H 3.048 0.04 2 459 46 46 ARG HD3 H 3.125 0.04 2 460 46 46 ARG C C 177.944 0.40 1 461 46 46 ARG CA C 57.432 0.40 1 462 46 46 ARG CB C 29.158 0.40 1 463 46 46 ARG CG C 26.456 0.40 1 464 46 46 ARG CD C 42.698 0.40 1 465 46 46 ARG N N 120.042 0.40 1 466 47 47 VAL H H 7.494 0.04 1 467 47 47 VAL HA H 3.339 0.04 1 468 47 47 VAL HB H 2.631 0.04 1 469 47 47 VAL HG1 H 0.953 0.04 2 470 47 47 VAL HG2 H 1.171 0.04 2 471 47 47 VAL C C 177.208 0.40 1 472 47 47 VAL CA C 67.022 0.40 1 473 47 47 VAL CB C 31.132 0.40 1 474 47 47 VAL CG1 C 21.274 0.40 2 475 47 47 VAL CG2 C 23.363 0.40 2 476 47 47 VAL N N 119.166 0.40 1 477 48 48 VAL H H 7.530 0.04 1 478 48 48 VAL HA H 3.475 0.04 1 479 48 48 VAL HB H 2.088 0.04 1 480 48 48 VAL HG1 H 0.881 0.04 2 481 48 48 VAL HG2 H 0.959 0.04 2 482 48 48 VAL C C 177.134 0.40 1 483 48 48 VAL CA C 66.770 0.40 1 484 48 48 VAL CB C 31.420 0.40 1 485 48 48 VAL CG1 C 21.629 0.40 2 486 48 48 VAL CG2 C 22.599 0.40 2 487 48 48 VAL N N 116.624 0.40 1 488 49 49 HIS H H 7.589 0.04 1 489 49 49 HIS HA H 4.344 0.04 1 490 49 49 HIS HB2 H 3.159 0.04 2 491 49 49 HIS HB3 H 3.218 0.04 2 492 49 49 HIS HD2 H 6.894 0.04 1 493 49 49 HIS HE1 H 7.766 0.04 1 494 49 49 HIS C C 178.377 0.40 1 495 49 49 HIS CA C 59.669 0.40 1 496 49 49 HIS CB C 30.367 0.40 1 497 49 49 HIS CD2 C 119.658 0.40 1 498 49 49 HIS CE1 C 138.282 0.40 1 499 49 49 HIS N N 119.156 0.40 1 500 50 50 ILE H H 8.217 0.04 1 501 50 50 ILE HA H 3.546 0.04 1 502 50 50 ILE HB H 1.888 0.04 1 503 50 50 ILE HG12 H 0.938 0.04 2 504 50 50 ILE HG13 H 1.700 0.04 2 505 50 50 ILE HG2 H 0.747 0.04 1 506 50 50 ILE HD1 H 0.457 0.04 1 507 50 50 ILE C C 177.741 0.40 1 508 50 50 ILE CA C 65.607 0.40 1 509 50 50 ILE CB C 38.195 0.40 1 510 50 50 ILE CG1 C 29.320 0.40 1 511 50 50 ILE CG2 C 16.962 0.40 1 512 50 50 ILE CD1 C 14.078 0.40 1 513 50 50 ILE N N 120.877 0.40 1 514 51 51 ILE H H 7.641 0.04 1 515 51 51 ILE HA H 3.409 0.04 1 516 51 51 ILE HB H 1.896 0.04 1 517 51 51 ILE HG12 H 0.811 0.04 2 518 51 51 ILE HG13 H 1.890 0.04 2 519 51 51 ILE HG2 H 0.792 0.04 1 520 51 51 ILE HD1 H 0.750 0.04 1 521 51 51 ILE C C 177.448 0.40 1 522 51 51 ILE CA C 66.498 0.40 1 523 51 51 ILE CB C 38.221 0.40 1 524 51 51 ILE CG1 C 29.755 0.40 1 525 51 51 ILE CG2 C 18.182 0.40 1 526 51 51 ILE CD1 C 14.543 0.40 1 527 51 51 ILE N N 117.326 0.40 1 528 52 52 GLN H H 8.529 0.04 1 529 52 52 GLN HA H 3.724 0.04 1 530 52 52 GLN HB2 H 1.941 0.04 2 531 52 52 GLN HB3 H 2.115 0.04 2 532 52 52 GLN HG2 H 2.059 0.04 2 533 52 52 GLN HG3 H 2.519 0.04 2 534 52 52 GLN HE21 H 6.459 0.04 2 535 52 52 GLN HE22 H 7.234 0.04 2 536 52 52 GLN C C 177.039 0.40 1 537 52 52 GLN CA C 59.872 0.40 1 538 52 52 GLN CB C 29.157 0.40 1 539 52 52 GLN CG C 35.523 0.40 1 540 52 52 GLN N N 116.120 0.40 1 541 52 52 GLN NE2 N 111.521 0.40 1 542 53 53 ALA H H 7.861 0.04 1 543 53 53 ALA HA H 4.055 0.04 1 544 53 53 ALA HB H 1.371 0.04 1 545 53 53 ALA C C 180.052 0.40 1 546 53 53 ALA CA C 54.252 0.40 1 547 53 53 ALA CB C 18.648 0.40 1 548 53 53 ALA N N 118.309 0.40 1 549 54 54 ARG H H 7.549 0.04 1 550 54 54 ARG HA H 4.327 0.04 1 551 54 54 ARG HB2 H 1.817 0.04 2 552 54 54 ARG HB3 H 2.067 0.04 2 553 54 54 ARG C C 176.501 0.40 1 554 54 54 ARG CA C 55.755 0.40 1 555 54 54 ARG CB C 32.969 0.40 1 556 54 54 ARG N N 114.445 0.40 1 557 55 55 GLU H H 7.795 0.04 1 558 55 55 GLU HA H 4.883 0.04 1 559 55 55 GLU HB2 H 1.849 0.04 2 560 55 55 GLU HB3 H 2.073 0.04 2 561 55 55 GLU HG2 H 2.255 0.04 2 562 55 55 GLU HG3 H 2.255 0.04 2 563 55 55 GLU CA C 52.655 0.40 1 564 55 55 GLU CB C 28.772 0.40 1 565 55 55 GLU CG C 35.512 0.40 1 566 55 55 GLU N N 118.681 0.40 1 567 56 56 PRO HA H 4.172 0.04 1 568 56 56 PRO HB2 H 1.969 0.04 2 569 56 56 PRO HB3 H 2.360 0.04 2 570 56 56 PRO HG2 H 1.972 0.04 2 571 56 56 PRO HG3 H 2.116 0.04 2 572 56 56 PRO HD2 H 3.818 0.04 2 573 56 56 PRO HD3 H 3.818 0.04 2 574 56 56 PRO C C 178.714 0.40 1 575 56 56 PRO CA C 65.023 0.40 1 576 56 56 PRO CB C 32.108 0.40 1 577 56 56 PRO CG C 27.491 0.40 1 578 56 56 PRO CD C 50.438 0.40 1 579 57 57 SER H H 8.376 0.04 1 580 57 57 SER HA H 4.307 0.04 1 581 57 57 SER HB2 H 3.969 0.04 2 582 57 57 SER HB3 H 3.969 0.04 2 583 57 57 SER C C 175.419 0.40 1 584 57 57 SER CA C 60.510 0.40 1 585 57 57 SER CB C 62.980 0.40 1 586 57 57 SER N N 111.708 0.40 1 587 58 58 LEU H H 7.894 0.04 1 588 58 58 LEU HA H 4.641 0.04 1 589 58 58 LEU HB2 H 1.618 0.04 2 590 58 58 LEU HB3 H 1.618 0.04 2 591 58 58 LEU HG H 1.654 0.04 1 592 58 58 LEU HD1 H 0.770 0.04 2 593 58 58 LEU HD2 H 0.833 0.04 2 594 58 58 LEU C C 178.047 0.40 1 595 58 58 LEU CA C 54.404 0.40 1 596 58 58 LEU CB C 42.748 0.40 1 597 58 58 LEU CG C 26.817 0.40 1 598 58 58 LEU CD1 C 25.919 0.40 2 599 58 58 LEU CD2 C 23.065 0.40 2 600 58 58 LEU N N 121.520 0.40 1 601 59 59 ARG H H 7.484 0.04 1 602 59 59 ARG HA H 3.993 0.04 1 603 59 59 ARG HB2 H 1.818 0.04 2 604 59 59 ARG HB3 H 1.960 0.04 2 605 59 59 ARG HG2 H 1.690 0.04 2 606 59 59 ARG HG3 H 1.690 0.04 2 607 59 59 ARG HD2 H 3.205 0.04 2 608 59 59 ARG HD3 H 3.205 0.04 2 609 59 59 ARG C C 176.181 0.40 1 610 59 59 ARG CA C 59.086 0.40 1 611 59 59 ARG CB C 30.721 0.40 1 612 59 59 ARG CG C 26.937 0.40 1 613 59 59 ARG CD C 43.480 0.40 1 614 59 59 ARG N N 121.566 0.40 1 615 60 60 ASP H H 8.248 0.04 1 616 60 60 ASP HA H 4.727 0.04 1 617 60 60 ASP HB2 H 2.552 0.04 2 618 60 60 ASP HB3 H 2.786 0.04 2 619 60 60 ASP C C 176.236 0.40 1 620 60 60 ASP CA C 54.178 0.40 1 621 60 60 ASP CB C 40.947 0.40 1 622 60 60 ASP N N 116.360 0.40 1 623 61 61 SER H H 7.404 0.04 1 624 61 61 SER HA H 4.379 0.04 1 625 61 61 SER HB2 H 3.742 0.04 2 626 61 61 SER HB3 H 3.742 0.04 2 627 61 61 SER C C 173.466 0.40 1 628 61 61 SER CA C 58.709 0.40 1 629 61 61 SER CB C 63.870 0.40 1 630 61 61 SER N N 115.584 0.40 1 631 62 62 ASN H H 8.771 0.04 1 632 62 62 ASN HA H 4.895 0.04 1 633 62 62 ASN HB2 H 2.740 0.04 2 634 62 62 ASN HB3 H 2.899 0.04 2 635 62 62 ASN HD21 H 7.080 0.04 2 636 62 62 ASN HD22 H 7.734 0.04 2 637 62 62 ASN CA C 51.323 0.40 1 638 62 62 ASN CB C 38.534 0.40 1 639 62 62 ASN N N 123.045 0.40 1 640 62 62 ASN ND2 N 113.619 0.40 1 641 63 63 PRO HA H 4.087 0.04 1 642 63 63 PRO HB2 H 1.978 0.04 2 643 63 63 PRO HB3 H 2.225 0.04 2 644 63 63 PRO HG2 H 2.069 0.04 2 645 63 63 PRO HG3 H 2.110 0.04 2 646 63 63 PRO HD2 H 3.884 0.04 2 647 63 63 PRO HD3 H 3.841 0.04 2 648 63 63 PRO C C 177.592 0.40 1 649 63 63 PRO CA C 65.105 0.40 1 650 63 63 PRO CB C 32.049 0.40 1 651 63 63 PRO CG C 27.510 0.40 1 652 63 63 PRO CD C 50.835 0.40 1 653 64 64 GLU H H 8.447 0.04 1 654 64 64 GLU HA H 4.171 0.04 1 655 64 64 GLU HB2 H 1.939 0.04 2 656 64 64 GLU HB3 H 2.095 0.04 2 657 64 64 GLU HG2 H 2.257 0.04 2 658 64 64 GLU HG3 H 2.307 0.04 2 659 64 64 GLU C C 177.053 0.40 1 660 64 64 GLU CA C 57.887 0.40 1 661 64 64 GLU CB C 29.370 0.40 1 662 64 64 GLU CG C 36.320 0.40 1 663 64 64 GLU N N 115.118 0.40 1 664 65 65 GLU H H 7.793 0.04 1 665 65 65 GLU HA H 4.409 0.04 1 666 65 65 GLU HB2 H 1.901 0.04 2 667 65 65 GLU HB3 H 2.185 0.04 2 668 65 65 GLU HG2 H 2.128 0.04 2 669 65 65 GLU HG3 H 2.236 0.04 2 670 65 65 GLU C C 176.130 0.40 1 671 65 65 GLU CA C 55.516 0.40 1 672 65 65 GLU CB C 31.035 0.40 1 673 65 65 GLU CG C 36.523 0.40 1 674 65 65 GLU N N 117.205 0.40 1 675 66 66 ILE H H 7.303 0.04 1 676 66 66 ILE HA H 3.987 0.04 1 677 66 66 ILE HB H 1.798 0.04 1 678 66 66 ILE HG12 H 1.091 0.04 2 679 66 66 ILE HG13 H 1.537 0.04 2 680 66 66 ILE HG2 H 0.769 0.04 1 681 66 66 ILE HD1 H 0.783 0.04 1 682 66 66 ILE C C 174.901 0.40 1 683 66 66 ILE CA C 61.690 0.40 1 684 66 66 ILE CB C 38.739 0.40 1 685 66 66 ILE CG1 C 27.703 0.40 1 686 66 66 ILE CG2 C 16.860 0.40 1 687 66 66 ILE CD1 C 13.685 0.40 1 688 66 66 ILE N N 120.537 0.40 1 689 67 67 GLU H H 8.289 0.04 1 690 67 67 GLU HA H 4.428 0.04 1 691 67 67 GLU HB2 H 1.827 0.04 2 692 67 67 GLU HB3 H 1.890 0.04 2 693 67 67 GLU HG2 H 2.071 0.04 2 694 67 67 GLU HG3 H 2.175 0.04 2 695 67 67 GLU C C 175.682 0.40 1 696 67 67 GLU CA C 54.880 0.40 1 697 67 67 GLU CB C 30.770 0.40 1 698 67 67 GLU CG C 36.142 0.40 1 699 67 67 GLU N N 127.519 0.40 1 700 68 68 ILE H H 8.542 0.04 1 701 68 68 ILE HA H 3.572 0.04 1 702 68 68 ILE HB H 1.537 0.04 1 703 68 68 ILE HG12 H 0.707 0.04 2 704 68 68 ILE HG13 H 0.707 0.04 2 705 68 68 ILE HG2 H 0.263 0.04 1 706 68 68 ILE HD1 H 0.707 0.04 1 707 68 68 ILE C C 174.637 0.40 1 708 68 68 ILE CA C 61.892 0.40 1 709 68 68 ILE CB C 37.800 0.40 1 710 68 68 ILE CG1 C 27.522 0.40 1 711 68 68 ILE CG2 C 17.482 0.40 1 712 68 68 ILE CD1 C 13.161 0.40 1 713 68 68 ILE N N 125.304 0.40 1 714 69 69 ASP H H 8.489 0.04 1 715 69 69 ASP HA H 4.740 0.04 1 716 69 69 ASP HB2 H 2.406 0.04 2 717 69 69 ASP HB3 H 2.827 0.04 2 718 69 69 ASP C C 177.338 0.40 1 719 69 69 ASP CA C 52.390 0.40 1 720 69 69 ASP CB C 41.408 0.40 1 721 69 69 ASP N N 127.344 0.40 1 722 70 70 PHE H H 8.696 0.04 1 723 70 70 PHE HA H 4.097 0.04 1 724 70 70 PHE HB2 H 3.100 0.04 2 725 70 70 PHE HB3 H 3.154 0.04 2 726 70 70 PHE HD1 H 7.104 0.04 3 727 70 70 PHE HD2 H 7.104 0.04 3 728 70 70 PHE HE1 H 7.153 0.04 3 729 70 70 PHE HE2 H 7.153 0.04 3 730 70 70 PHE HZ H 7.018 0.04 1 731 70 70 PHE C C 176.995 0.40 1 732 70 70 PHE CA C 59.826 0.40 1 733 70 70 PHE CB C 38.080 0.40 1 734 70 70 PHE CD1 C 130.744 0.40 3 735 70 70 PHE CE1 C 131.000 0.40 3 736 70 70 PHE CZ C 128.913 0.40 1 737 70 70 PHE N N 123.636 0.40 1 738 71 71 GLU H H 8.395 0.04 1 739 71 71 GLU HA H 4.236 0.04 1 740 71 71 GLU HB2 H 2.193 0.04 2 741 71 71 GLU HB3 H 2.193 0.04 2 742 71 71 GLU HG2 H 2.256 0.04 2 743 71 71 GLU HG3 H 2.288 0.04 2 744 71 71 GLU C C 177.944 0.40 1 745 71 71 GLU CA C 57.601 0.40 1 746 71 71 GLU CB C 29.495 0.40 1 747 71 71 GLU CG C 36.493 0.40 1 748 71 71 GLU N N 114.860 0.40 1 749 72 72 THR H H 7.479 0.04 1 750 72 72 THR HA H 4.483 0.04 1 751 72 72 THR HB H 4.400 0.04 1 752 72 72 THR HG2 H 1.141 0.04 1 753 72 72 THR C C 174.751 0.40 1 754 72 72 THR CA C 61.402 0.40 1 755 72 72 THR CB C 69.813 0.40 1 756 72 72 THR CG2 C 21.837 0.40 1 757 72 72 THR N N 106.781 0.40 1 758 73 73 LEU H H 6.766 0.04 1 759 73 73 LEU HA H 4.378 0.04 1 760 73 73 LEU HB2 H 1.284 0.04 2 761 73 73 LEU HB3 H 1.606 0.04 2 762 73 73 LEU HG H 1.915 0.04 1 763 73 73 LEU HD1 H 0.662 0.04 2 764 73 73 LEU HD2 H 0.777 0.04 2 765 73 73 LEU C C 176.618 0.40 1 766 73 73 LEU CA C 54.095 0.40 1 767 73 73 LEU CB C 43.338 0.40 1 768 73 73 LEU CG C 26.256 0.40 1 769 73 73 LEU CD1 C 25.978 0.40 2 770 73 73 LEU CD2 C 23.447 0.40 2 771 73 73 LEU N N 121.002 0.40 1 772 74 74 LYS H H 9.936 0.04 1 773 74 74 LYS HA H 4.454 0.04 1 774 74 74 LYS HB2 H 1.877 0.04 2 775 74 74 LYS HB3 H 1.877 0.04 2 776 74 74 LYS HG2 H 1.447 0.04 2 777 74 74 LYS HG3 H 1.447 0.04 2 778 74 74 LYS HD2 H 1.709 0.04 2 779 74 74 LYS HD3 H 1.709 0.04 2 780 74 74 LYS HE2 H 2.985 0.04 2 781 74 74 LYS HE3 H 2.985 0.04 2 782 74 74 LYS CA C 55.647 0.40 1 783 74 74 LYS CB C 32.266 0.40 1 784 74 74 LYS CG C 24.881 0.40 1 785 74 74 LYS CD C 29.195 0.40 1 786 74 74 LYS CE C 42.249 0.40 1 787 74 74 LYS N N 123.646 0.40 1 788 75 75 PRO HA H 4.176 0.04 1 789 75 75 PRO HB2 H 1.982 0.04 2 790 75 75 PRO HB3 H 2.175 0.04 2 791 75 75 PRO HD2 H 3.960 0.04 2 792 75 75 PRO HD3 H 3.960 0.04 2 793 75 75 PRO C C 178.714 0.40 1 794 75 75 PRO CA C 66.214 0.40 1 795 75 75 PRO CB C 31.992 0.40 1 796 75 75 PRO CD C 50.620 0.40 1 797 76 76 SER H H 8.401 0.04 1 798 76 76 SER HA H 4.228 0.04 1 799 76 76 SER HB2 H 3.961 0.04 2 800 76 76 SER HB3 H 3.961 0.04 2 801 76 76 SER C C 177.801 0.40 1 802 76 76 SER CA C 60.777 0.40 1 803 76 76 SER CB C 61.691 0.40 1 804 76 76 SER N N 110.084 0.40 1 805 77 77 THR H H 7.413 0.04 1 806 77 77 THR HA H 3.815 0.04 1 807 77 77 THR HB H 4.523 0.04 1 808 77 77 THR HG2 H 1.196 0.04 1 809 77 77 THR C C 176.163 0.40 1 810 77 77 THR CA C 66.011 0.40 1 811 77 77 THR CB C 67.315 0.40 1 812 77 77 THR CG2 C 24.488 0.40 1 813 77 77 THR N N 122.525 0.40 1 814 78 78 LEU H H 7.916 0.04 1 815 78 78 LEU HA H 3.779 0.04 1 816 78 78 LEU HB2 H 1.575 0.04 2 817 78 78 LEU HB3 H 1.999 0.04 2 818 78 78 LEU HG H 1.588 0.04 1 819 78 78 LEU HD1 H 0.919 0.04 2 820 78 78 LEU HD2 H 0.745 0.04 2 821 78 78 LEU C C 179.069 0.40 1 822 78 78 LEU CA C 58.627 0.40 1 823 78 78 LEU CB C 41.028 0.40 1 824 78 78 LEU CG C 26.843 0.40 1 825 78 78 LEU CD1 C 26.274 0.40 2 826 78 78 LEU CD2 C 24.327 0.40 2 827 78 78 LEU N N 120.782 0.40 1 828 79 79 ARG H H 8.313 0.04 1 829 79 79 ARG HA H 4.177 0.04 1 830 79 79 ARG HB2 H 1.930 0.04 2 831 79 79 ARG HB3 H 1.930 0.04 2 832 79 79 ARG C C 179.123 0.40 1 833 79 79 ARG CA C 57.699 0.40 1 834 79 79 ARG CB C 29.262 0.40 1 835 79 79 ARG N N 115.828 0.40 1 836 80 80 GLU H H 7.834 0.04 1 837 80 80 GLU HA H 4.210 0.04 1 838 80 80 GLU HB2 H 2.051 0.04 2 839 80 80 GLU HB3 H 2.051 0.04 2 840 80 80 GLU HG2 H 2.247 0.04 2 841 80 80 GLU HG3 H 2.283 0.04 2 842 80 80 GLU C C 179.603 0.40 1 843 80 80 GLU CA C 59.616 0.40 1 844 80 80 GLU CB C 28.828 0.40 1 845 80 80 GLU CG C 35.879 0.40 1 846 80 80 GLU N N 122.756 0.40 1 847 81 81 LEU H H 8.440 0.04 1 848 81 81 LEU HA H 4.123 0.04 1 849 81 81 LEU HB2 H 1.376 0.04 2 850 81 81 LEU HB3 H 2.249 0.04 2 851 81 81 LEU HG H 1.961 0.04 1 852 81 81 LEU HD1 H 0.826 0.04 2 853 81 81 LEU HD2 H 0.977 0.04 2 854 81 81 LEU C C 178.129 0.40 1 855 81 81 LEU CA C 58.298 0.40 1 856 81 81 LEU CB C 42.563 0.40 1 857 81 81 LEU CG C 26.634 0.40 1 858 81 81 LEU CD1 C 25.458 0.40 2 859 81 81 LEU CD2 C 24.746 0.40 2 860 81 81 LEU N N 119.943 0.40 1 861 82 82 GLU H H 8.574 0.04 1 862 82 82 GLU HA H 3.765 0.04 1 863 82 82 GLU HB2 H 2.376 0.04 2 864 82 82 GLU HB3 H 1.954 0.04 2 865 82 82 GLU HG2 H 2.125 0.04 2 866 82 82 GLU HG3 H 2.191 0.04 2 867 82 82 GLU C C 178.021 0.40 1 868 82 82 GLU CA C 59.908 0.40 1 869 82 82 GLU CB C 30.498 0.40 1 870 82 82 GLU CG C 36.126 0.40 1 871 82 82 GLU N N 120.326 0.40 1 872 83 83 ARG H H 7.912 0.04 1 873 83 83 ARG HA H 3.989 0.04 1 874 83 83 ARG HB2 H 1.931 0.04 2 875 83 83 ARG HB3 H 2.047 0.04 2 876 83 83 ARG HG2 H 1.619 0.04 2 877 83 83 ARG HG3 H 1.934 0.04 2 878 83 83 ARG HD2 H 3.322 0.04 2 879 83 83 ARG HD3 H 3.217 0.04 2 880 83 83 ARG C C 179.466 0.40 1 881 83 83 ARG CA C 60.013 0.40 1 882 83 83 ARG CB C 30.489 0.40 1 883 83 83 ARG CG C 28.206 0.40 1 884 83 83 ARG CD C 43.634 0.40 1 885 83 83 ARG N N 118.085 0.40 1 886 84 84 TYR H H 8.263 0.04 1 887 84 84 TYR HA H 4.304 0.04 1 888 84 84 TYR HB2 H 2.995 0.04 2 889 84 84 TYR HB3 H 3.313 0.04 2 890 84 84 TYR HD1 H 6.896 0.04 3 891 84 84 TYR HD2 H 6.896 0.04 3 892 84 84 TYR HE1 H 6.676 0.04 3 893 84 84 TYR HE2 H 6.676 0.04 3 894 84 84 TYR C C 178.860 0.40 1 895 84 84 TYR CA C 61.615 0.40 1 896 84 84 TYR CB C 38.309 0.40 1 897 84 84 TYR CD1 C 132.405 0.40 3 898 84 84 TYR CE1 C 118.394 0.40 3 899 84 84 TYR N N 121.084 0.40 1 900 85 85 VAL H H 9.083 0.04 1 901 85 85 VAL HA H 3.218 0.04 1 902 85 85 VAL HB H 2.112 0.04 1 903 85 85 VAL HG1 H 0.917 0.04 2 904 85 85 VAL HG2 H 1.109 0.04 2 905 85 85 VAL C C 178.029 0.40 1 906 85 85 VAL CA C 67.468 0.40 1 907 85 85 VAL CB C 31.498 0.40 1 908 85 85 VAL CG1 C 22.148 0.40 2 909 85 85 VAL CG2 C 23.799 0.40 2 910 85 85 VAL N N 121.563 0.40 1 911 86 86 LEU H H 8.155 0.04 1 912 86 86 LEU HA H 3.963 0.04 1 913 86 86 LEU HB2 H 1.547 0.04 2 914 86 86 LEU HB3 H 1.805 0.04 2 915 86 86 LEU HG H 1.751 0.04 1 916 86 86 LEU HD1 H 0.861 0.04 2 917 86 86 LEU HD2 H 0.845 0.04 2 918 86 86 LEU C C 179.648 0.40 1 919 86 86 LEU CA C 58.378 0.40 1 920 86 86 LEU CB C 41.391 0.40 1 921 86 86 LEU CG C 26.922 0.40 1 922 86 86 LEU CD1 C 24.975 0.40 2 923 86 86 LEU CD2 C 23.619 0.40 2 924 86 86 LEU N N 119.254 0.40 1 925 87 87 SER H H 7.662 0.04 1 926 87 87 SER HA H 4.235 0.04 1 927 87 87 SER HB2 H 4.029 0.04 2 928 87 87 SER HB3 H 4.029 0.04 2 929 87 87 SER C C 176.494 0.40 1 930 87 87 SER CA C 61.225 0.40 1 931 87 87 SER CB C 63.014 0.40 1 932 87 87 SER N N 113.886 0.40 1 933 88 88 CYS H H 7.567 0.04 1 934 88 88 CYS HA H 4.184 0.04 1 935 88 88 CYS HB2 H 2.454 0.04 2 936 88 88 CYS HB3 H 2.894 0.04 2 937 88 88 CYS C C 176.385 0.40 1 938 88 88 CYS CA C 62.077 0.40 1 939 88 88 CYS CB C 28.011 0.40 1 940 88 88 CYS N N 118.829 0.40 1 941 89 89 LEU H H 7.738 0.04 1 942 89 89 LEU HA H 4.292 0.04 1 943 89 89 LEU HB2 H 1.543 0.04 2 944 89 89 LEU HB3 H 1.659 0.04 2 945 89 89 LEU HG H 1.614 0.04 1 946 89 89 LEU HD1 H 0.799 0.04 2 947 89 89 LEU HD2 H 0.758 0.04 2 948 89 89 LEU C C 177.352 0.40 1 949 89 89 LEU CA C 55.512 0.40 1 950 89 89 LEU CB C 42.338 0.40 1 951 89 89 LEU CG C 26.642 0.40 1 952 89 89 LEU CD1 C 25.735 0.40 2 953 89 89 LEU CD2 C 22.593 0.40 2 954 89 89 LEU N N 119.075 0.40 1 955 90 90 ARG H H 7.795 0.04 1 956 90 90 ARG HA H 4.201 0.04 1 957 90 90 ARG HB2 H 1.875 0.04 2 958 90 90 ARG HB3 H 1.875 0.04 2 959 90 90 ARG C C 176.170 0.40 1 960 90 90 ARG CA C 57.002 0.40 1 961 90 90 ARG CB C 29.921 0.40 1 962 90 90 ARG N N 119.095 0.40 1 963 91 91 LYS H H 8.022 0.04 1 964 91 91 LYS C C 176.900 0.40 1 965 91 91 LYS N N 121.282 0.40 1 966 96 96 PRO HA H 4.360 0.04 1 967 96 96 PRO HB2 H 1.849 0.04 2 968 96 96 PRO HB3 H 2.210 0.04 2 969 96 96 PRO HG2 H 2.014 0.04 2 970 96 96 PRO HG3 H 2.014 0.04 2 971 96 96 PRO HD2 H 3.593 0.04 2 972 96 96 PRO HD3 H 3.813 0.04 2 973 96 96 PRO C C 176.508 0.40 1 974 96 96 PRO CA C 63.292 0.40 1 975 96 96 PRO CB C 32.075 0.40 1 976 96 96 PRO CG C 27.517 0.40 1 977 96 96 PRO CD C 50.685 0.40 1 978 97 97 TYR H H 8.106 0.04 1 979 97 97 TYR HA H 4.605 0.04 1 980 97 97 TYR HB2 H 3.025 0.04 2 981 97 97 TYR HB3 H 3.130 0.04 2 982 97 97 TYR HD1 H 7.133 0.04 3 983 97 97 TYR HD2 H 7.133 0.04 3 984 97 97 TYR C C 175.772 0.40 1 985 97 97 TYR CA C 57.881 0.40 1 986 97 97 TYR CB C 38.414 0.40 1 987 97 97 TYR CD1 C 133.512 0.40 3 988 97 97 TYR N N 120.145 0.40 1 989 98 98 THR H H 7.981 0.04 1 990 98 98 THR HA H 4.311 0.04 1 991 98 98 THR HB H 4.075 0.04 1 992 98 98 THR HG2 H 1.123 0.04 1 993 98 98 THR C C 173.765 0.40 1 994 98 98 THR CA C 61.604 0.40 1 995 98 98 THR CB C 70.254 0.40 1 996 98 98 THR CG2 C 21.665 0.40 1 997 98 98 THR N N 117.025 0.40 1 998 99 99 ILE H H 8.075 0.04 1 999 99 99 ILE HA H 4.128 0.04 1 1000 99 99 ILE HB H 1.823 0.04 1 1001 99 99 ILE HG12 H 1.181 0.04 2 1002 99 99 ILE HG13 H 1.466 0.04 2 1003 99 99 ILE HG2 H 0.885 0.04 1 1004 99 99 ILE HD1 H 0.864 0.04 1 1005 99 99 ILE C C 175.935 0.40 1 1006 99 99 ILE CA C 61.121 0.40 1 1007 99 99 ILE CB C 38.863 0.40 1 1008 99 99 ILE CG1 C 27.491 0.40 1 1009 99 99 ILE CG2 C 17.579 0.40 1 1010 99 99 ILE CD1 C 13.153 0.40 1 1011 99 99 ILE N N 123.727 0.40 1 1012 100 100 LYS H H 8.329 0.04 1 1013 100 100 LYS HA H 4.320 0.04 1 1014 100 100 LYS HB2 H 1.712 0.04 2 1015 100 100 LYS HB3 H 1.790 0.04 2 1016 100 100 LYS HG2 H 1.386 0.04 2 1017 100 100 LYS HG3 H 1.440 0.04 2 1018 100 100 LYS HD2 H 1.669 0.04 2 1019 100 100 LYS HD3 H 1.669 0.04 2 1020 100 100 LYS HE2 H 3.013 0.04 2 1021 100 100 LYS HE3 H 3.013 0.04 2 1022 100 100 LYS C C 176.290 0.40 1 1023 100 100 LYS CA C 56.081 0.40 1 1024 100 100 LYS CB C 33.239 0.40 1 1025 100 100 LYS CG C 24.971 0.40 1 1026 100 100 LYS CD C 29.128 0.40 1 1027 100 100 LYS CE C 42.338 0.40 1 1028 100 100 LYS N N 126.314 0.40 1 1029 101 101 LYS H H 8.190 0.04 1 1030 101 101 LYS HA H 4.568 0.04 1 1031 101 101 LYS HB2 H 1.711 0.04 2 1032 101 101 LYS HB3 H 1.809 0.04 2 1033 101 101 LYS HG2 H 1.431 0.04 2 1034 101 101 LYS HG3 H 1.465 0.04 2 1035 101 101 LYS HD2 H 1.684 0.04 2 1036 101 101 LYS HD3 H 1.684 0.04 2 1037 101 101 LYS HE2 H 3.012 0.04 2 1038 101 101 LYS HE3 H 3.012 0.04 2 1039 101 101 LYS CA C 54.265 0.40 1 1040 101 101 LYS CB C 32.595 0.40 1 1041 101 101 LYS CG C 24.724 0.40 1 1042 101 101 LYS CD C 29.330 0.40 1 1043 101 101 LYS CE C 42.574 0.40 1 1044 101 101 LYS N N 123.434 0.40 1 1045 102 102 PRO HA H 4.478 0.04 1 1046 102 102 PRO HB2 H 1.899 0.04 2 1047 102 102 PRO HB3 H 2.278 0.04 2 1048 102 102 PRO HG2 H 1.997 0.04 2 1049 102 102 PRO HG3 H 1.997 0.04 2 1050 102 102 PRO HD2 H 3.635 0.04 2 1051 102 102 PRO HD3 H 3.821 0.04 2 1052 102 102 PRO C C 176.929 0.40 1 1053 102 102 PRO CA C 63.106 0.40 1 1054 102 102 PRO CB C 32.092 0.40 1 1055 102 102 PRO CG C 27.529 0.40 1 1056 102 102 PRO CD C 50.939 0.40 1 1057 103 103 VAL H H 8.244 0.04 1 1058 103 103 VAL HA H 4.114 0.04 1 1059 103 103 VAL HB H 2.087 0.04 1 1060 103 103 VAL HG1 H 0.966 0.04 2 1061 103 103 VAL HG2 H 0.977 0.04 2 1062 103 103 VAL C C 176.801 0.40 1 1063 103 103 VAL CA C 62.506 0.40 1 1064 103 103 VAL CB C 32.887 0.40 1 1065 103 103 VAL CG1 C 21.272 0.40 2 1066 103 103 VAL CG2 C 20.650 0.40 2 1067 103 103 VAL N N 120.581 0.40 1 1068 104 104 GLY H H 8.405 0.04 1 1069 104 104 GLY HA2 H 3.889 0.04 2 1070 104 104 GLY HA3 H 4.004 0.04 2 1071 104 104 GLY C C 173.906 0.40 1 1072 104 104 GLY CA C 45.325 0.40 1 1073 104 104 GLY N N 112.390 0.40 1 1074 105 105 LYS H H 8.111 0.04 1 1075 105 105 LYS HA H 4.516 0.04 1 1076 105 105 LYS HB2 H 1.682 0.04 2 1077 105 105 LYS HB3 H 1.787 0.04 2 1078 105 105 LYS HG2 H 1.430 0.04 2 1079 105 105 LYS HG3 H 1.493 0.04 2 1080 105 105 LYS HD2 H 1.606 0.04 2 1081 105 105 LYS HD3 H 1.606 0.04 2 1082 105 105 LYS HE2 H 2.975 0.04 2 1083 105 105 LYS HE3 H 2.975 0.04 2 1084 105 105 LYS C C 177.254 0.40 1 1085 105 105 LYS CA C 56.111 0.40 1 1086 105 105 LYS CB C 34.280 0.40 1 1087 105 105 LYS CG C 25.398 0.40 1 1088 105 105 LYS CD C 29.465 0.40 1 1089 105 105 LYS CE C 42.226 0.40 1 1090 105 105 LYS N N 121.105 0.40 1 1091 106 106 THR H H 8.612 0.04 1 1092 106 106 THR HA H 4.401 0.04 1 1093 106 106 THR HB H 4.631 0.04 1 1094 106 106 THR HG2 H 1.321 0.04 1 1095 106 106 THR C C 175.286 0.40 1 1096 106 106 THR CA C 61.316 0.40 1 1097 106 106 THR CB C 71.119 0.40 1 1098 106 106 THR CG2 C 21.946 0.40 1 1099 106 106 THR N N 114.289 0.40 1 1100 107 107 LYS H H 8.724 0.04 1 1101 107 107 LYS HA H 4.055 0.04 1 1102 107 107 LYS HB2 H 1.853 0.04 2 1103 107 107 LYS HB3 H 1.890 0.04 2 1104 107 107 LYS HG2 H 1.458 0.04 2 1105 107 107 LYS HG3 H 1.458 0.04 2 1106 107 107 LYS HD2 H 1.705 0.04 2 1107 107 107 LYS HD3 H 1.705 0.04 2 1108 107 107 LYS HE2 H 3.034 0.04 2 1109 107 107 LYS HE3 H 3.034 0.04 2 1110 107 107 LYS C C 178.973 0.40 1 1111 107 107 LYS CA C 59.204 0.40 1 1112 107 107 LYS CB C 32.303 0.40 1 1113 107 107 LYS CG C 25.001 0.40 1 1114 107 107 LYS CD C 29.247 0.40 1 1115 107 107 LYS CE C 42.301 0.40 1 1116 107 107 LYS N N 121.467 0.40 1 1117 108 108 GLU H H 8.674 0.04 1 1118 108 108 GLU HA H 4.121 0.04 1 1119 108 108 GLU HB2 H 1.976 0.04 2 1120 108 108 GLU HB3 H 2.057 0.04 2 1121 108 108 GLU HG2 H 2.281 0.04 2 1122 108 108 GLU HG3 H 2.377 0.04 2 1123 108 108 GLU C C 178.714 0.40 1 1124 108 108 GLU CA C 59.421 0.40 1 1125 108 108 GLU CB C 29.663 0.40 1 1126 108 108 GLU CG C 36.931 0.40 1 1127 108 108 GLU N N 120.358 0.40 1 1128 109 109 GLU H H 7.994 0.04 1 1129 109 109 GLU HA H 4.059 0.04 1 1130 109 109 GLU HB2 H 1.973 0.04 2 1131 109 109 GLU HB3 H 2.225 0.04 2 1132 109 109 GLU HG2 H 2.272 0.04 2 1133 109 109 GLU HG3 H 2.272 0.04 2 1134 109 109 GLU C C 179.232 0.40 1 1135 109 109 GLU CA C 58.877 0.40 1 1136 109 109 GLU CB C 30.135 0.40 1 1137 109 109 GLU CG C 36.594 0.40 1 1138 109 109 GLU N N 121.296 0.40 1 1139 110 110 LEU H H 8.317 0.04 1 1140 110 110 LEU HA H 4.100 0.04 1 1141 110 110 LEU HB2 H 1.531 0.04 2 1142 110 110 LEU HB3 H 1.757 0.04 2 1143 110 110 LEU HG H 1.631 0.04 1 1144 110 110 LEU HD1 H 0.864 0.04 2 1145 110 110 LEU HD2 H 0.874 0.04 2 1146 110 110 LEU C C 178.982 0.40 1 1147 110 110 LEU CA C 57.312 0.40 1 1148 110 110 LEU CB C 41.951 0.40 1 1149 110 110 LEU CG C 26.925 0.40 1 1150 110 110 LEU CD1 C 25.069 0.40 2 1151 110 110 LEU CD2 C 23.522 0.40 2 1152 110 110 LEU N N 121.283 0.40 1 1153 111 111 ALA H H 8.031 0.04 1 1154 111 111 ALA HA H 4.181 0.04 1 1155 111 111 ALA HB H 1.485 0.04 1 1156 111 111 ALA C C 180.158 0.40 1 1157 111 111 ALA CA C 54.492 0.40 1 1158 111 111 ALA CB C 18.302 0.40 1 1159 111 111 ALA N N 122.485 0.40 1 1160 112 112 LEU H H 7.861 0.04 1 1161 112 112 LEU HA H 4.171 0.04 1 1162 112 112 LEU HB2 H 1.680 0.04 2 1163 112 112 LEU HB3 H 1.781 0.04 2 1164 112 112 LEU HG H 1.730 0.04 1 1165 112 112 LEU HD1 H 0.942 0.04 2 1166 112 112 LEU HD2 H 0.898 0.04 2 1167 112 112 LEU C C 178.966 0.40 1 1168 112 112 LEU CA C 57.234 0.40 1 1169 112 112 LEU CB C 41.990 0.40 1 1170 112 112 LEU CG C 27.023 0.40 1 1171 112 112 LEU CD1 C 24.702 0.40 2 1172 112 112 LEU CD2 C 23.921 0.40 2 1173 112 112 LEU N N 120.374 0.40 1 1174 113 113 GLU H H 8.051 0.04 1 1175 113 113 GLU HA H 4.069 0.04 1 1176 113 113 GLU HB2 H 2.107 0.04 2 1177 113 113 GLU HB3 H 2.107 0.04 2 1178 113 113 GLU HG2 H 2.272 0.04 2 1179 113 113 GLU HG3 H 2.372 0.04 2 1180 113 113 GLU C C 178.660 0.40 1 1181 113 113 GLU CA C 59.028 0.40 1 1182 113 113 GLU CB C 29.701 0.40 1 1183 113 113 GLU CG C 36.630 0.40 1 1184 113 113 GLU N N 119.798 0.40 1 1185 114 114 LYS H H 7.947 0.04 1 1186 114 114 LYS HA H 4.164 0.04 1 1187 114 114 LYS HB2 H 1.907 0.04 2 1188 114 114 LYS HB3 H 1.907 0.04 2 1189 114 114 LYS HG2 H 1.450 0.04 2 1190 114 114 LYS HG3 H 1.450 0.04 2 1191 114 114 LYS HD2 H 1.679 0.04 2 1192 114 114 LYS HD3 H 1.679 0.04 2 1193 114 114 LYS HE2 H 2.978 0.04 2 1194 114 114 LYS HE3 H 2.978 0.04 2 1195 114 114 LYS C C 178.316 0.40 1 1196 114 114 LYS CA C 58.148 0.40 1 1197 114 114 LYS CB C 32.191 0.40 1 1198 114 114 LYS CG C 24.492 0.40 1 1199 114 114 LYS CD C 29.217 0.40 1 1200 114 114 LYS CE C 42.189 0.40 1 1201 114 114 LYS N N 119.972 0.40 1 1202 115 115 LYS H H 7.946 0.04 1 1203 115 115 LYS HA H 4.111 0.04 1 1204 115 115 LYS HB2 H 1.946 0.04 2 1205 115 115 LYS HB3 H 1.946 0.04 2 1206 115 115 LYS HG2 H 1.421 0.04 2 1207 115 115 LYS HG3 H 1.472 0.04 2 1208 115 115 LYS HD2 H 1.692 0.04 2 1209 115 115 LYS HD3 H 1.692 0.04 2 1210 115 115 LYS HE2 H 2.995 0.04 2 1211 115 115 LYS HE3 H 2.995 0.04 2 1212 115 115 LYS C C 178.300 0.40 1 1213 115 115 LYS CA C 58.911 0.40 1 1214 115 115 LYS CB C 32.711 0.40 1 1215 115 115 LYS CG C 24.846 0.40 1 1216 115 115 LYS CD C 29.105 0.40 1 1217 115 115 LYS CE C 42.204 0.40 1 1218 115 115 LYS N N 120.856 0.40 1 1219 116 116 ARG H H 8.167 0.04 1 1220 116 116 ARG HA H 4.164 0.04 1 1221 116 116 ARG HB2 H 1.918 0.04 2 1222 116 116 ARG HB3 H 1.918 0.04 2 1223 116 116 ARG HG2 H 1.668 0.04 2 1224 116 116 ARG HG3 H 1.775 0.04 2 1225 116 116 ARG HD2 H 3.208 0.04 2 1226 116 116 ARG HD3 H 3.208 0.04 2 1227 116 116 ARG C C 178.400 0.40 1 1228 116 116 ARG CA C 58.331 0.40 1 1229 116 116 ARG CB C 30.386 0.40 1 1230 116 116 ARG CG C 27.524 0.40 1 1231 116 116 ARG N N 119.561 0.40 1 1232 117 117 GLU H H 8.088 0.04 1 1233 117 117 GLU HA H 4.113 0.04 1 1234 117 117 GLU HB2 H 2.107 0.04 2 1235 117 117 GLU HB3 H 2.107 0.04 2 1236 117 117 GLU HG2 H 2.251 0.04 2 1237 117 117 GLU HG3 H 2.381 0.04 2 1238 117 117 GLU C C 178.333 0.40 1 1239 117 117 GLU CA C 58.500 0.40 1 1240 117 117 GLU CB C 29.472 0.40 1 1241 117 117 GLU CG C 36.422 0.40 1 1242 117 117 GLU N N 120.318 0.40 1 1243 118 118 LEU H H 7.993 0.04 1 1244 118 118 LEU HA H 4.161 0.04 1 1245 118 118 LEU HB2 H 1.674 0.04 2 1246 118 118 LEU HB3 H 1.784 0.04 2 1247 118 118 LEU HG H 1.729 0.04 1 1248 118 118 LEU HD1 H 0.941 0.04 2 1249 118 118 LEU HD2 H 0.903 0.04 2 1250 118 118 LEU C C 178.782 0.40 1 1251 118 118 LEU CA C 57.069 0.40 1 1252 118 118 LEU CB C 42.125 0.40 1 1253 118 118 LEU CG C 27.016 0.40 1 1254 118 118 LEU CD1 C 24.746 0.40 2 1255 118 118 LEU CD2 C 23.870 0.40 2 1256 118 118 LEU N N 121.059 0.40 1 1257 119 119 GLU H H 8.107 0.04 1 1258 119 119 GLU HA H 4.083 0.04 1 1259 119 119 GLU HB2 H 2.070 0.04 2 1260 119 119 GLU HB3 H 2.070 0.04 2 1261 119 119 GLU HG2 H 2.246 0.04 2 1262 119 119 GLU HG3 H 2.425 0.04 2 1263 119 119 GLU C C 178.085 0.40 1 1264 119 119 GLU CA C 58.279 0.40 1 1265 119 119 GLU CB C 29.824 0.40 1 1266 119 119 GLU CG C 36.501 0.40 1 1267 119 119 GLU N N 119.231 0.40 1 1268 120 120 LYS H H 7.919 0.04 1 1269 120 120 LYS HA H 4.155 0.04 1 1270 120 120 LYS HB2 H 1.888 0.04 2 1271 120 120 LYS HB3 H 1.888 0.04 2 1272 120 120 LYS HG2 H 1.533 0.04 2 1273 120 120 LYS HG3 H 1.533 0.04 2 1274 120 120 LYS HD2 H 1.685 0.04 2 1275 120 120 LYS HD3 H 1.685 0.04 2 1276 120 120 LYS HE2 H 2.991 0.04 2 1277 120 120 LYS HE3 H 2.991 0.04 2 1278 120 120 LYS C C 177.720 0.40 1 1279 120 120 LYS CA C 57.871 0.40 1 1280 120 120 LYS CB C 32.610 0.40 1 1281 120 120 LYS CG C 24.964 0.40 1 1282 120 120 LYS CD C 29.165 0.40 1 1283 120 120 LYS CE C 42.275 0.40 1 1284 120 120 LYS N N 120.149 0.40 1 1285 121 121 ARG H H 8.002 0.04 1 1286 121 121 ARG HA H 4.257 0.04 1 1287 121 121 ARG HB2 H 1.911 0.04 2 1288 121 121 ARG HB3 H 1.911 0.04 2 1289 121 121 ARG HG2 H 1.663 0.04 2 1290 121 121 ARG HG3 H 1.721 0.04 2 1291 121 121 ARG HD2 H 3.203 0.04 2 1292 121 121 ARG HD3 H 3.203 0.04 2 1293 121 121 ARG C C 177.448 0.40 1 1294 121 121 ARG CA C 57.354 0.40 1 1295 121 121 ARG CB C 30.502 0.40 1 1296 121 121 ARG CG C 27.242 0.40 1 1297 121 121 ARG CD C 43.559 0.40 1 1298 121 121 ARG N N 119.984 0.40 1 1299 122 122 LEU H H 8.047 0.04 1 1300 122 122 LEU HA H 4.278 0.04 1 1301 122 122 LEU HB2 H 1.593 0.04 2 1302 122 122 LEU HB3 H 1.743 0.04 2 1303 122 122 LEU HG H 1.706 0.04 1 1304 122 122 LEU HD1 H 0.919 0.04 2 1305 122 122 LEU HD2 H 0.871 0.04 2 1306 122 122 LEU C C 178.115 0.40 1 1307 122 122 LEU CA C 56.058 0.40 1 1308 122 122 LEU CB C 41.941 0.40 1 1309 122 122 LEU CG C 26.993 0.40 1 1310 122 122 LEU CD1 C 25.124 0.40 2 1311 122 122 LEU CD2 C 23.330 0.40 2 1312 122 122 LEU N N 120.839 0.40 1 1313 123 123 GLN H H 8.035 0.04 1 1314 123 123 GLN HA H 4.256 0.04 1 1315 123 123 GLN HB2 H 2.090 0.04 2 1316 123 123 GLN HB3 H 2.090 0.04 2 1317 123 123 GLN C C 176.280 0.40 1 1318 123 123 GLN CA C 56.594 0.40 1 1319 123 123 GLN CB C 29.356 0.40 1 1320 123 123 GLN N N 119.350 0.40 1 1321 124 124 ASP H H 8.192 0.04 1 1322 124 124 ASP HA H 4.635 0.04 1 1323 124 124 ASP HB2 H 2.684 0.04 2 1324 124 124 ASP HB3 H 2.757 0.04 2 1325 124 124 ASP C C 176.930 0.40 1 1326 124 124 ASP CA C 54.740 0.40 1 1327 124 124 ASP CB C 41.174 0.40 1 1328 124 124 ASP N N 121.041 0.40 1 1329 125 125 VAL H H 8.042 0.04 1 1330 125 125 VAL HA H 4.182 0.04 1 1331 125 125 VAL HB H 2.209 0.04 1 1332 125 125 VAL HG1 H 0.952 0.04 2 1333 125 125 VAL HG2 H 0.955 0.04 2 1334 125 125 VAL C C 176.864 0.40 1 1335 125 125 VAL CA C 62.746 0.40 1 1336 125 125 VAL CB C 32.363 0.40 1 1337 125 125 VAL CG1 C 21.339 0.40 2 1338 125 125 VAL CG2 C 20.268 0.40 2 1339 125 125 VAL N N 119.350 0.40 1 1340 126 126 SER H H 8.322 0.04 1 1341 126 126 SER HA H 4.405 0.04 1 1342 126 126 SER HB2 H 3.922 0.04 2 1343 126 126 SER HB3 H 3.922 0.04 2 1344 126 126 SER C C 175.582 0.40 1 1345 126 126 SER CA C 59.351 0.40 1 1346 126 126 SER CB C 63.934 0.40 1 1347 126 126 SER N N 118.251 0.40 1 1348 127 127 GLY H H 8.325 0.04 1 1349 127 127 GLY HA2 H 3.975 0.04 2 1350 127 127 GLY HA3 H 3.975 0.04 2 1351 127 127 GLY C C 174.410 0.40 1 1352 127 127 GLY CA C 45.709 0.40 1 1353 127 127 GLY N N 110.642 0.40 1 1354 128 128 GLN H H 8.103 0.04 1 1355 128 128 GLN HA H 4.323 0.04 1 1356 128 128 GLN HB2 H 1.973 0.04 2 1357 128 128 GLN HB3 H 2.117 0.04 2 1358 128 128 GLN HG2 H 2.349 0.04 2 1359 128 128 GLN HG3 H 2.349 0.04 2 1360 128 128 GLN C C 176.249 0.40 1 1361 128 128 GLN CA C 55.768 0.40 1 1362 128 128 GLN CB C 29.394 0.40 1 1363 128 128 GLN CG C 33.936 0.40 1 1364 128 128 GLN N N 119.536 0.40 1 1365 129 129 LEU H H 8.253 0.04 1 1366 129 129 LEU HA H 4.332 0.04 1 1367 129 129 LEU HB2 H 1.597 0.04 2 1368 129 129 LEU HB3 H 1.597 0.04 2 1369 129 129 LEU HG H 1.616 0.04 1 1370 129 129 LEU HD1 H 0.927 0.04 2 1371 129 129 LEU HD2 H 0.859 0.04 2 1372 129 129 LEU C C 177.255 0.40 1 1373 129 129 LEU CA C 55.478 0.40 1 1374 129 129 LEU CB C 42.210 0.40 1 1375 129 129 LEU CG C 26.986 0.40 1 1376 129 129 LEU CD1 C 24.900 0.40 2 1377 129 129 LEU CD2 C 23.593 0.40 2 1378 129 129 LEU N N 122.732 0.40 1 1379 130 130 ASN H H 8.400 0.04 1 1380 130 130 ASN N N 119.252 0.40 1 stop_ save_