data_25919 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; LC3 FUNDC1 complex structure ; _BMRB_accession_number 25919 _BMRB_flat_file_name bmr25919.str _Entry_type original _Submission_date 2015-12-14 _Accession_date 2015-12-14 _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 Xia Bin . . 2 Kuang Yao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 835 "13C chemical shifts" 533 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-21 update BMRB 'update entry citation' 2016-12-08 original author 'original release' stop_ _Original_release_date 2015-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the phosphorylation of FUNDC1 LIR as a molecular switch of mitophagy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27653272 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kuang Yao . . 2 Ma Kaili . . 3 Zhou Changqian . . 4 Ding Pengfei . . 5 Zhu Yushan . . 6 Chen Quan . . 7 Xia Bin . . stop_ _Journal_abbreviation Autophagy _Journal_name_full Autophagy _Journal_volume 12 _Journal_issue 12 _Journal_ISSN 1554-8635 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2363 _Page_last 2373 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LC3 FUNDC1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14150.413 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MPSEKTFKQRRTFEQRVEDV RLIREQHPTKIPVIIERYKG EKQLPVLDKTKFLVPDHVNM SELIKIIRRRLQLNANQAFF LLVNGHSMVSVSTPISEVYE SEKDEDGFLYMVYASQETFG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 SER 4 GLU 5 LYS 6 THR 7 PHE 8 LYS 9 GLN 10 ARG 11 ARG 12 THR 13 PHE 14 GLU 15 GLN 16 ARG 17 VAL 18 GLU 19 ASP 20 VAL 21 ARG 22 LEU 23 ILE 24 ARG 25 GLU 26 GLN 27 HIS 28 PRO 29 THR 30 LYS 31 ILE 32 PRO 33 VAL 34 ILE 35 ILE 36 GLU 37 ARG 38 TYR 39 LYS 40 GLY 41 GLU 42 LYS 43 GLN 44 LEU 45 PRO 46 VAL 47 LEU 48 ASP 49 LYS 50 THR 51 LYS 52 PHE 53 LEU 54 VAL 55 PRO 56 ASP 57 HIS 58 VAL 59 ASN 60 MET 61 SER 62 GLU 63 LEU 64 ILE 65 LYS 66 ILE 67 ILE 68 ARG 69 ARG 70 ARG 71 LEU 72 GLN 73 LEU 74 ASN 75 ALA 76 ASN 77 GLN 78 ALA 79 PHE 80 PHE 81 LEU 82 LEU 83 VAL 84 ASN 85 GLY 86 HIS 87 SER 88 MET 89 VAL 90 SER 91 VAL 92 SER 93 THR 94 PRO 95 ILE 96 SER 97 GLU 98 VAL 99 TYR 100 GLU 101 SER 102 GLU 103 LYS 104 ASP 105 GLU 106 ASP 107 GLY 108 PHE 109 LEU 110 TYR 111 MET 112 VAL 113 TYR 114 ALA 115 SER 116 GLN 117 GLU 118 THR 119 PHE 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 2071.041 _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence ; DYESDDDSYEVLDLTEY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 10 ASP 2 11 TYR 3 12 GLU 4 13 SER 5 14 ASP 6 15 ASP 7 16 ASP 8 17 SER 9 18 TYR 10 19 GLU 11 20 VAL 12 21 LEU 13 22 ASP 14 23 LEU 15 24 THR 16 25 GLU 17 26 TYR 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_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . PET30a $entity_2 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM '[U-13C; U-15N]' $entity_2 1.8 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' D2O 10 % [U-2H] DSS 1 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_700_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_Bruker_Avance_800_MHz _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7 . 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 internal indirect . . . 0.25145 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10133 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CO)CA' '3D HNCA' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.337 . 1 2 1 1 MET HA H 4.783 . 1 3 1 1 MET HB2 H 1.940 . 2 4 1 1 MET HB3 H 2.048 . 2 5 1 1 MET HG2 H 2.555 . 2 6 1 1 MET HG3 H 2.636 . 2 7 1 1 MET CA C 53.141 . 1 8 1 1 MET CB C 32.499 . 1 9 1 1 MET CG C 32.169 . 1 10 1 1 MET CE C 17.188 . 1 11 1 1 MET N N 121.523 . 1 12 2 2 PRO HA H 4.424 . 1 13 2 2 PRO HB2 H 1.919 . 2 14 2 2 PRO HB3 H 2.299 . 2 15 2 2 PRO HG2 H 2.000 . 2 16 2 2 PRO HG3 H 2.041 . 2 17 2 2 PRO HD2 H 3.689 . 2 18 2 2 PRO HD3 H 3.811 . 2 19 2 2 PRO C C 176.917 . 1 20 2 2 PRO CA C 63.418 . 1 21 2 2 PRO CB C 32.160 . 1 22 2 2 PRO CG C 27.458 . 1 23 2 2 PRO CD C 50.650 . 1 24 3 3 SER H H 8.366 . 1 25 3 3 SER HA H 4.389 . 1 26 3 3 SER HB2 H 3.828 . 2 27 3 3 SER HB3 H 3.888 . 2 28 3 3 SER C C 174.762 . 1 29 3 3 SER CA C 58.472 . 1 30 3 3 SER CB C 63.913 . 1 31 3 3 SER N N 116.273 . 1 32 4 4 GLU H H 8.513 . 1 33 4 4 GLU HA H 4.289 . 1 34 4 4 GLU HB2 H 1.936 . 2 35 4 4 GLU HB3 H 2.066 . 2 36 4 4 GLU HG2 H 2.226 . 2 37 4 4 GLU HG3 H 2.272 . 2 38 4 4 GLU C C 176.545 . 1 39 4 4 GLU CA C 56.785 . 1 40 4 4 GLU CB C 30.200 . 1 41 4 4 GLU CG C 36.361 . 1 42 4 4 GLU N N 123.959 . 1 43 5 5 LYS H H 8.198 . 1 44 5 5 LYS HA H 4.508 . 1 45 5 5 LYS HB2 H 1.704 . 2 46 5 5 LYS HB3 H 1.704 . 2 47 5 5 LYS HG2 H 1.317 . 2 48 5 5 LYS HG3 H 1.497 . 2 49 5 5 LYS HD2 H 1.522 . 2 50 5 5 LYS HD3 H 1.555 . 2 51 5 5 LYS HE2 H 2.899 . 2 52 5 5 LYS HE3 H 2.899 . 2 53 5 5 LYS C C 177.178 . 1 54 5 5 LYS CA C 56.000 . 1 55 5 5 LYS CB C 34.758 . 1 56 5 5 LYS CG C 25.642 . 1 57 5 5 LYS CD C 29.460 . 1 58 5 5 LYS CE C 42.195 . 1 59 5 5 LYS N N 122.165 . 1 60 6 6 THR H H 8.423 . 1 61 6 6 THR HA H 4.426 . 1 62 6 6 THR HB H 5.051 . 1 63 6 6 THR HG2 H 1.238 . 1 64 6 6 THR C C 175.570 . 1 65 6 6 THR CA C 61.120 . 1 66 6 6 THR CB C 69.871 . 1 67 6 6 THR CG2 C 21.863 . 1 68 6 6 THR N N 115.586 . 1 69 7 7 PHE H H 10.276 . 1 70 7 7 PHE HA H 3.935 . 1 71 7 7 PHE HB2 H 2.989 . 2 72 7 7 PHE HB3 H 3.073 . 2 73 7 7 PHE HD1 H 7.206 . 3 74 7 7 PHE HD2 H 7.206 . 3 75 7 7 PHE HE1 H 6.863 . 3 76 7 7 PHE HE2 H 6.863 . 3 77 7 7 PHE CA C 63.687 . 1 78 7 7 PHE CB C 39.656 . 1 79 7 7 PHE CD1 C 131.908 . 3 80 7 7 PHE CD2 C 131.908 . 3 81 7 7 PHE CE1 C 131.720 . 3 82 7 7 PHE CE2 C 131.720 . 3 83 7 7 PHE N N 126.100 . 1 84 8 8 LYS H H 8.707 . 1 85 8 8 LYS HA H 3.800 . 1 86 8 8 LYS HB2 H 1.669 . 2 87 8 8 LYS HB3 H 1.693 . 2 88 8 8 LYS HG2 H 1.304 . 2 89 8 8 LYS HG3 H 1.700 . 2 90 8 8 LYS HD2 H 1.370 . 2 91 8 8 LYS HD3 H 1.470 . 2 92 8 8 LYS HE2 H 2.176 . 2 93 8 8 LYS HE3 H 2.696 . 2 94 8 8 LYS CA C 59.944 . 1 95 8 8 LYS CB C 33.852 . 1 96 8 8 LYS CG C 26.785 . 1 97 8 8 LYS CD C 30.830 . 1 98 8 8 LYS CE C 41.740 . 1 99 8 8 LYS N N 115.026 . 1 100 9 9 GLN H H 7.343 . 1 101 9 9 GLN HA H 4.178 . 1 102 9 9 GLN HB2 H 1.988 . 2 103 9 9 GLN HB3 H 2.257 . 2 104 9 9 GLN HG2 H 2.331 . 2 105 9 9 GLN HG3 H 2.331 . 2 106 9 9 GLN HE21 H 7.535 . 2 107 9 9 GLN HE22 H 6.907 . 2 108 9 9 GLN C C 173.193 . 1 109 9 9 GLN CA C 56.741 . 1 110 9 9 GLN CB C 30.065 . 1 111 9 9 GLN CG C 34.593 . 1 112 9 9 GLN CD C 180.206 . 1 113 9 9 GLN N N 113.774 . 1 114 9 9 GLN NE2 N 112.123 . 1 115 10 10 ARG H H 7.912 . 1 116 10 10 ARG HA H 4.248 . 1 117 10 10 ARG HB2 H 1.606 . 2 118 10 10 ARG HB3 H 1.844 . 2 119 10 10 ARG HG2 H 1.413 . 2 120 10 10 ARG HG3 H 1.708 . 2 121 10 10 ARG HD2 H 3.139 . 2 122 10 10 ARG HD3 H 3.139 . 2 123 10 10 ARG CA C 57.555 . 1 124 10 10 ARG CB C 31.771 . 1 125 10 10 ARG CG C 27.985 . 1 126 10 10 ARG CD C 43.386 . 1 127 10 10 ARG N N 119.156 . 1 128 11 11 ARG H H 7.341 . 1 129 11 11 ARG HA H 4.685 . 1 130 11 11 ARG HB2 H 0.910 . 2 131 11 11 ARG HB3 H 1.360 . 2 132 11 11 ARG HG2 H 1.156 . 2 133 11 11 ARG HG3 H 1.264 . 2 134 11 11 ARG HD2 H 2.921 . 2 135 11 11 ARG HD3 H 2.921 . 2 136 11 11 ARG HE H 7.758 . 1 137 11 11 ARG CA C 53.161 . 1 138 11 11 ARG CB C 32.773 . 1 139 11 11 ARG CG C 26.292 . 1 140 11 11 ARG CD C 43.032 . 1 141 11 11 ARG N N 120.777 . 1 142 11 11 ARG NE N 85.37 . 1 143 12 12 THR H H 8.855 . 1 144 12 12 THR HA H 4.358 . 1 145 12 12 THR HB H 4.776 . 1 146 12 12 THR HG2 H 1.345 . 1 147 12 12 THR C C 175.056 . 1 148 12 12 THR CA C 61.795 . 1 149 12 12 THR CB C 71.050 . 1 150 12 12 THR CG2 C 22.095 . 1 151 12 12 THR N N 116.696 . 1 152 13 13 PHE H H 9.221 . 1 153 13 13 PHE HA H 4.043 . 1 154 13 13 PHE HB2 H 2.998 . 2 155 13 13 PHE HB3 H 3.356 . 2 156 13 13 PHE HD1 H 7.313 . 3 157 13 13 PHE HD2 H 7.313 . 3 158 13 13 PHE HE1 H 7.185 . 3 159 13 13 PHE HE2 H 7.185 . 3 160 13 13 PHE C C 176.234 . 1 161 13 13 PHE CA C 62.947 . 1 162 13 13 PHE CB C 39.571 . 1 163 13 13 PHE CD1 C 132.080 . 3 164 13 13 PHE CD2 C 132.080 . 3 165 13 13 PHE CE1 C 130.033 . 3 166 13 13 PHE CE2 C 130.033 . 3 167 13 13 PHE N N 123.894 . 1 168 14 14 GLU H H 9.002 . 1 169 14 14 GLU HA H 3.812 . 1 170 14 14 GLU HB2 H 1.975 . 2 171 14 14 GLU HB3 H 2.084 . 2 172 14 14 GLU HG2 H 2.406 . 2 173 14 14 GLU HG3 H 2.546 . 2 174 14 14 GLU CA C 60.699 . 1 175 14 14 GLU CB C 28.943 . 1 176 14 14 GLU CG C 37.516 . 1 177 14 14 GLU N N 116.516 . 1 178 15 15 GLN H H 7.706 . 1 179 15 15 GLN HA H 4.024 . 1 180 15 15 GLN HB2 H 1.861 . 2 181 15 15 GLN HB3 H 2.405 . 2 182 15 15 GLN HG2 H 2.352 . 2 183 15 15 GLN HG3 H 2.501 . 2 184 15 15 GLN HE21 H 7.535 . 2 185 15 15 GLN HE22 H 6.824 . 2 186 15 15 GLN C C 175.263 . 1 187 15 15 GLN CA C 58.800 . 1 188 15 15 GLN CB C 29.300 . 1 189 15 15 GLN CG C 34.900 . 1 190 15 15 GLN N N 119.291 . 1 191 15 15 GLN NE2 N 112.277 . 1 192 16 16 ARG H H 8.567 . 1 193 16 16 ARG HA H 4.235 . 1 194 16 16 ARG HB2 H 1.756 . 2 195 16 16 ARG HB3 H 2.308 . 2 196 16 16 ARG HG2 H 1.644 . 2 197 16 16 ARG HG3 H 1.644 . 2 198 16 16 ARG HD2 H 3.061 . 2 199 16 16 ARG HD3 H 3.295 . 2 200 16 16 ARG HE H 7.285 . 1 201 16 16 ARG CA C 61.660 . 1 202 16 16 ARG CB C 30.877 . 1 203 16 16 ARG CG C 27.271 . 1 204 16 16 ARG CD C 42.454 . 1 205 16 16 ARG N N 122.883 . 1 206 16 16 ARG NE N 84.15 . 1 207 17 17 VAL H H 8.430 . 1 208 17 17 VAL HA H 3.865 . 1 209 17 17 VAL HB H 1.715 . 1 210 17 17 VAL HG2 H 0.500 . 2 211 17 17 VAL C C 174.213 . 1 212 17 17 VAL CA C 65.550 . 1 213 17 17 VAL CB C 32.171 . 1 214 17 17 VAL CG1 C 21.028 . 2 215 17 17 VAL CG2 C 23.026 . 2 216 17 17 VAL N N 118.523 . 1 217 18 18 GLU H H 7.423 . 1 218 18 18 GLU HA H 4.212 . 1 219 18 18 GLU HB2 H 2.029 . 2 220 18 18 GLU HB3 H 2.029 . 2 221 18 18 GLU HG2 H 2.342 . 2 222 18 18 GLU HG3 H 2.342 . 2 223 18 18 GLU C C 175.758 . 1 224 18 18 GLU CA C 58.488 . 1 225 18 18 GLU CB C 29.360 . 1 226 18 18 GLU CG C 35.316 . 1 227 18 18 GLU N N 120.170 . 1 228 19 19 ASP H H 7.955 . 1 229 19 19 ASP HA H 4.384 . 1 230 19 19 ASP HB2 H 3.253 . 2 231 19 19 ASP HB3 H 3.253 . 2 232 19 19 ASP C C 177.016 . 1 233 19 19 ASP CA C 56.900 . 1 234 19 19 ASP CB C 41.884 . 1 235 19 19 ASP N N 121.273 . 1 236 20 20 VAL H H 7.818 . 1 237 20 20 VAL HA H 3.232 . 1 238 20 20 VAL HB H 1.781 . 1 239 20 20 VAL HG2 H 0.684 . 2 240 20 20 VAL C C 173.876 . 1 241 20 20 VAL CA C 66.128 . 1 242 20 20 VAL CB C 31.099 . 1 243 20 20 VAL CG1 C 21.705 . 2 244 20 20 VAL CG2 C 21.705 . 2 245 20 20 VAL N N 119.523 . 1 246 21 21 ARG H H 8.037 . 1 247 21 21 ARG HA H 3.803 . 1 248 21 21 ARG HB2 H 1.862 . 2 249 21 21 ARG HB3 H 1.958 . 2 250 21 21 ARG HG2 H 1.496 . 2 251 21 21 ARG HG3 H 1.689 . 2 252 21 21 ARG HD2 H 3.063 . 2 253 21 21 ARG HD3 H 3.257 . 2 254 21 21 ARG HE H 7.837 . 1 255 21 21 ARG CA C 59.934 . 1 256 21 21 ARG CB C 30.076 . 1 257 21 21 ARG CG C 27.235 . 1 258 21 21 ARG CD C 43.202 . 1 259 21 21 ARG N N 120.310 . 1 260 21 21 ARG NE N 84.15 . 1 261 22 22 LEU H H 8.050 . 1 262 22 22 LEU HA H 4.094 . 1 263 22 22 LEU HB2 H 1.610 . 2 264 22 22 LEU HB3 H 1.901 . 2 265 22 22 LEU HG H 1.725 . 1 266 22 22 LEU HD1 H 0.953 . 2 267 22 22 LEU HD2 H 0.890 . 2 268 22 22 LEU C C 177.626 . 1 269 22 22 LEU CA C 57.738 . 1 270 22 22 LEU CB C 42.222 . 1 271 22 22 LEU CG C 27.038 . 1 272 22 22 LEU CD1 C 25.068 . 2 273 22 22 LEU CD2 C 23.729 . 2 274 22 22 LEU N N 118.660 . 1 275 23 23 ILE H H 8.390 . 1 276 23 23 ILE HA H 4.122 . 1 277 23 23 ILE HB H 1.727 . 1 278 23 23 ILE HG12 H 0.216 . 2 279 23 23 ILE HG13 H 1.094 . 2 280 23 23 ILE HG2 H 0.897 . 1 281 23 23 ILE HD1 H 0.734 . 1 282 23 23 ILE C C 176.226 . 1 283 23 23 ILE CA C 61.243 . 1 284 23 23 ILE CB C 38.268 . 1 285 23 23 ILE CG1 C 30.232 . 1 286 23 23 ILE CG2 C 19.253 . 1 287 23 23 ILE CD1 C 14.290 . 1 288 23 23 ILE N N 122.825 . 1 289 24 24 ARG H H 8.540 . 1 290 24 24 ARG HA H 4.017 . 1 291 24 24 ARG HB2 H 1.795 . 2 292 24 24 ARG HB3 H 1.959 . 2 293 24 24 ARG HG2 H 1.647 . 2 294 24 24 ARG HG3 H 1.822 . 2 295 24 24 ARG HD2 H 3.062 . 2 296 24 24 ARG HD3 H 3.293 . 2 297 24 24 ARG CA C 57.684 . 1 298 24 24 ARG CB C 28.817 . 1 299 24 24 ARG CG C 27.228 . 1 300 24 24 ARG CD C 42.556 . 1 301 24 24 ARG N N 122.365 . 1 302 25 25 GLU H H 7.287 . 1 303 25 25 GLU HA H 4.044 . 1 304 25 25 GLU HB2 H 2.140 . 2 305 25 25 GLU HB3 H 2.140 . 2 306 25 25 GLU HG2 H 2.204 . 2 307 25 25 GLU HG3 H 2.423 . 2 308 25 25 GLU CA C 58.680 . 1 309 25 25 GLU CB C 29.850 . 1 310 25 25 GLU CG C 36.360 . 1 311 25 25 GLU N N 118.383 . 1 312 26 26 GLN H H 7.423 . 1 313 26 26 GLN HA H 3.948 . 1 314 26 26 GLN HB2 H 1.740 . 2 315 26 26 GLN HB3 H 1.964 . 2 316 26 26 GLN HG2 H 2.134 . 2 317 26 26 GLN HG3 H 2.426 . 2 318 26 26 GLN HE21 H 7.395 . 2 319 26 26 GLN HE22 H 6.785 . 2 320 26 26 GLN C C 176.221 . 1 321 26 26 GLN CA C 57.638 . 1 322 26 26 GLN CB C 30.320 . 1 323 26 26 GLN CG C 33.994 . 1 324 26 26 GLN N N 117.165 . 1 325 26 26 GLN NE2 N 111.731 . 1 326 27 27 HIS H H 8.254 . 1 327 27 27 HIS HA H 4.866 . 1 328 27 27 HIS HB2 H 2.533 . 2 329 27 27 HIS HB3 H 2.910 . 2 330 27 27 HIS HD2 H 6.617 . 1 331 27 27 HIS CA C 53.305 . 1 332 27 27 HIS CB C 30.917 . 1 333 27 27 HIS CD2 C 119.533 . 1 334 27 27 HIS N N 117.140 . 1 335 28 28 PRO HA H 4.609 . 1 336 28 28 PRO HB2 H 2.018 . 2 337 28 28 PRO HB3 H 2.447 . 2 338 28 28 PRO HG2 H 1.918 . 2 339 28 28 PRO HG3 H 1.918 . 2 340 28 28 PRO HD2 H 3.252 . 2 341 28 28 PRO HD3 H 3.590 . 2 342 28 28 PRO CA C 64.881 . 1 343 28 28 PRO CB C 32.554 . 1 344 28 28 PRO CG C 27.270 . 1 345 28 28 PRO CD C 50.249 . 1 346 29 29 THR H H 7.764 . 1 347 29 29 THR HA H 4.644 . 1 348 29 29 THR HB H 4.726 . 1 349 29 29 THR HG2 H 1.168 . 1 350 29 29 THR C C 172.933 . 1 351 29 29 THR CA C 60.600 . 1 352 29 29 THR CB C 68.520 . 1 353 29 29 THR CG2 C 21.450 . 1 354 29 29 THR N N 107.339 . 1 355 30 30 LYS H H 7.478 . 1 356 30 30 LYS HA H 4.926 . 1 357 30 30 LYS HB2 H 1.210 . 2 358 30 30 LYS HB3 H 1.539 . 2 359 30 30 LYS HG2 H 1.122 . 2 360 30 30 LYS HG3 H 1.462 . 2 361 30 30 LYS HD2 H 1.660 . 2 362 30 30 LYS HD3 H 1.660 . 2 363 30 30 LYS HE2 H 2.901 . 2 364 30 30 LYS HE3 H 2.901 . 2 365 30 30 LYS C C 175.010 . 1 366 30 30 LYS CA C 53.740 . 1 367 30 30 LYS CB C 36.445 . 1 368 30 30 LYS CG C 25.560 . 1 369 30 30 LYS CD C 29.536 . 1 370 30 30 LYS CE C 42.021 . 1 371 30 30 LYS N N 118.273 . 1 372 31 31 ILE H H 9.235 . 1 373 31 31 ILE HA H 4.139 . 1 374 31 31 ILE HB H 1.767 . 1 375 31 31 ILE HG12 H 0.953 . 2 376 31 31 ILE HG13 H 1.318 . 2 377 31 31 ILE HG2 H 0.404 . 1 378 31 31 ILE HD1 H 0.326 . 1 379 31 31 ILE CA C 54.669 . 1 380 31 31 ILE CB C 38.427 . 1 381 31 31 ILE CG1 C 27.860 . 1 382 31 31 ILE CG2 C 16.998 . 1 383 31 31 ILE CD1 C 10.032 . 1 384 31 31 ILE N N 123.498 . 1 385 32 32 PRO HA H 5.212 . 1 386 32 32 PRO HB2 H 1.761 . 2 387 32 32 PRO HB3 H 2.308 . 2 388 32 32 PRO HG2 H 1.656 . 2 389 32 32 PRO HG3 H 2.600 . 2 390 32 32 PRO HD2 H 3.304 . 2 391 32 32 PRO HD3 H 3.518 . 2 392 32 32 PRO C C 174.832 . 1 393 32 32 PRO CA C 61.678 . 1 394 32 32 PRO CB C 30.993 . 1 395 32 32 PRO CG C 27.170 . 1 396 32 32 PRO CD C 50.220 . 1 397 33 33 VAL H H 9.289 . 1 398 33 33 VAL HA H 5.234 . 1 399 33 33 VAL HB H 1.886 . 1 400 33 33 VAL HG2 H 0.884 . 2 401 33 33 VAL CA C 59.611 . 1 402 33 33 VAL CB C 35.711 . 1 403 33 33 VAL CG1 C 22.503 . 2 404 33 33 VAL CG2 C 22.740 . 2 405 33 33 VAL N N 124.964 . 1 406 34 34 ILE H H 8.594 . 1 407 34 34 ILE HA H 4.742 . 1 408 34 34 ILE HB H 1.407 . 1 409 34 34 ILE HG12 H -0.197 . 2 410 34 34 ILE HG13 H 0.311 . 2 411 34 34 ILE HG2 H 0.503 . 1 412 34 34 ILE HD1 H -1.118 . 1 413 34 34 ILE CA C 56.330 . 1 414 34 34 ILE CB C 36.629 . 1 415 34 34 ILE CG1 C 24.974 . 1 416 34 34 ILE CG2 C 16.717 . 1 417 34 34 ILE CD1 C 9.011 . 1 418 34 34 ILE N N 127.908 . 1 419 35 35 ILE H H 8.545 . 1 420 35 35 ILE HA H 4.879 . 1 421 35 35 ILE HB H 1.742 . 1 422 35 35 ILE HG12 H 0.749 . 2 423 35 35 ILE HG13 H 1.588 . 2 424 35 35 ILE HG2 H 0.774 . 1 425 35 35 ILE HD1 H 0.133 . 1 426 35 35 ILE C C 176.126 . 1 427 35 35 ILE CA C 60.923 . 1 428 35 35 ILE CB C 38.968 . 1 429 35 35 ILE CG1 C 27.809 . 1 430 35 35 ILE CG2 C 18.006 . 1 431 35 35 ILE CD1 C 12.193 . 1 432 35 35 ILE N N 125.405 . 1 433 36 36 GLU H H 8.363 . 1 434 36 36 GLU HA H 4.789 . 1 435 36 36 GLU HB2 H 1.935 . 2 436 36 36 GLU HB3 H 2.215 . 2 437 36 36 GLU HG2 H 2.302 . 2 438 36 36 GLU HG3 H 2.302 . 2 439 36 36 GLU C C 173.645 . 1 440 36 36 GLU CA C 54.282 . 1 441 36 36 GLU CB C 35.401 . 1 442 36 36 GLU CG C 39.320 . 1 443 36 36 GLU N N 124.153 . 1 444 37 37 ARG H H 8.853 . 1 445 37 37 ARG HA H 2.804 . 1 446 37 37 ARG HB2 H 1.521 . 2 447 37 37 ARG HB3 H 1.816 . 2 448 37 37 ARG HG2 H 1.133 . 2 449 37 37 ARG HG3 H 1.877 . 2 450 37 37 ARG HD2 H 2.840 . 2 451 37 37 ARG HD3 H 3.091 . 2 452 37 37 ARG HE H 7.061 . 1 453 37 37 ARG C C 176.456 . 1 454 37 37 ARG CA C 56.120 . 1 455 37 37 ARG CB C 31.500 . 1 456 37 37 ARG CG C 26.483 . 1 457 37 37 ARG CD C 44.211 . 1 458 37 37 ARG N N 123.957 . 1 459 37 37 ARG NE N 84.15 . 1 460 38 38 TYR H H 8.663 . 1 461 38 38 TYR HA H 4.311 . 1 462 38 38 TYR HB2 H 2.762 . 2 463 38 38 TYR HB3 H 2.980 . 2 464 38 38 TYR HD1 H 6.999 . 3 465 38 38 TYR HD2 H 6.999 . 3 466 38 38 TYR HE1 H 6.628 . 3 467 38 38 TYR HE2 H 6.628 . 3 468 38 38 TYR CA C 57.907 . 1 469 38 38 TYR CB C 39.567 . 1 470 38 38 TYR CD1 C 133.220 . 3 471 38 38 TYR CD2 C 133.220 . 3 472 38 38 TYR CE1 C 118.220 . 3 473 38 38 TYR CE2 C 118.220 . 3 474 38 38 TYR N N 129.636 . 1 475 39 39 LYS H H 8.389 . 1 476 39 39 LYS HA H 3.848 . 1 477 39 39 LYS HB2 H 1.524 . 2 478 39 39 LYS HB3 H 1.640 . 2 479 39 39 LYS HG2 H 1.115 . 2 480 39 39 LYS HG3 H 1.170 . 2 481 39 39 LYS HD2 H 1.564 . 2 482 39 39 LYS HD3 H 1.564 . 2 483 39 39 LYS HE2 H 2.900 . 2 484 39 39 LYS HE3 H 2.900 . 2 485 39 39 LYS CA C 58.986 . 1 486 39 39 LYS CB C 31.777 . 1 487 39 39 LYS CG C 23.959 . 1 488 39 39 LYS CD C 29.180 . 1 489 39 39 LYS CE C 42.020 . 1 490 39 39 LYS N N 130.772 . 1 491 40 40 GLY H H 5.643 . 1 492 40 40 GLY HA2 H 3.350 . 2 493 40 40 GLY HA3 H 3.963 . 2 494 40 40 GLY C C 173.407 . 1 495 40 40 GLY CA C 44.796 . 1 496 40 40 GLY N N 106.013 . 1 497 41 41 GLU H H 7.464 . 1 498 41 41 GLU HA H 4.265 . 1 499 41 41 GLU HB2 H 2.097 . 2 500 41 41 GLU HB3 H 2.471 . 2 501 41 41 GLU HG2 H 2.273 . 2 502 41 41 GLU HG3 H 2.470 . 2 503 41 41 GLU C C 176.231 . 1 504 41 41 GLU CA C 56.365 . 1 505 41 41 GLU CB C 31.077 . 1 506 41 41 GLU CG C 37.422 . 1 507 41 41 GLU N N 123.519 . 1 508 42 42 LYS H H 8.895 . 1 509 42 42 LYS HA H 4.669 . 1 510 42 42 LYS HB2 H 1.712 . 2 511 42 42 LYS HB3 H 1.981 . 2 512 42 42 LYS HG2 H 1.403 . 2 513 42 42 LYS HG3 H 1.510 . 2 514 42 42 LYS HD2 H 1.634 . 2 515 42 42 LYS HD3 H 1.675 . 2 516 42 42 LYS HE2 H 2.974 . 2 517 42 42 LYS HE3 H 2.974 . 2 518 42 42 LYS C C 177.170 . 1 519 42 42 LYS CA C 55.750 . 1 520 42 42 LYS CB C 34.929 . 1 521 42 42 LYS CG C 24.462 . 1 522 42 42 LYS CD C 28.642 . 1 523 42 42 LYS CE C 42.296 . 1 524 42 42 LYS N N 124.405 . 1 525 43 43 GLN H H 8.459 . 1 526 43 43 GLN HA H 4.541 . 1 527 43 43 GLN HB2 H 2.192 . 2 528 43 43 GLN HB3 H 2.291 . 2 529 43 43 GLN HG2 H 2.393 . 2 530 43 43 GLN HG3 H 2.475 . 2 531 43 43 GLN HE21 H 7.644 . 2 532 43 43 GLN HE22 H 6.855 . 2 533 43 43 GLN C C 177.260 . 1 534 43 43 GLN CA C 57.566 . 1 535 43 43 GLN CB C 30.620 . 1 536 43 43 GLN CG C 34.210 . 1 537 43 43 GLN CD C 180.237 . 1 538 43 43 GLN N N 119.903 . 1 539 43 43 GLN NE2 N 112.541 . 1 540 44 44 LEU H H 9.002 . 1 541 44 44 LEU HA H 4.726 . 1 542 44 44 LEU HB2 H 1.688 . 2 543 44 44 LEU HB3 H 1.796 . 2 544 44 44 LEU HG H 2.038 . 1 545 44 44 LEU HD1 H 1.156 . 2 546 44 44 LEU HD2 H 1.225 . 2 547 44 44 LEU CA C 53.165 . 1 548 44 44 LEU CB C 43.444 . 1 549 44 44 LEU CG C 27.500 . 1 550 44 44 LEU CD1 C 28.382 . 2 551 44 44 LEU CD2 C 24.527 . 2 552 44 44 LEU N N 121.272 . 1 553 45 45 PRO HA H 4.722 . 1 554 45 45 PRO HB2 H 2.028 . 2 555 45 45 PRO HB3 H 2.435 . 2 556 45 45 PRO HG2 H 2.066 . 2 557 45 45 PRO HG3 H 2.191 . 2 558 45 45 PRO HD2 H 3.434 . 2 559 45 45 PRO HD3 H 4.016 . 2 560 45 45 PRO CA C 62.169 . 1 561 45 45 PRO CB C 32.722 . 1 562 45 45 PRO CG C 27.197 . 1 563 45 45 PRO CD C 50.436 . 1 564 46 46 VAL H H 8.349 . 1 565 46 46 VAL HA H 4.009 . 1 566 46 46 VAL HB H 2.095 . 1 567 46 46 VAL HG2 H 0.977 . 2 568 46 46 VAL C C 173.416 . 1 569 46 46 VAL CA C 62.413 . 1 570 46 46 VAL CB C 33.087 . 1 571 46 46 VAL CG1 C 20.480 . 2 572 46 46 VAL CG2 C 21.274 . 2 573 46 46 VAL N N 118.403 . 1 574 47 47 LEU H H 8.064 . 1 575 47 47 LEU HA H 4.452 . 1 576 47 47 LEU HB2 H 1.984 . 2 577 47 47 LEU HB3 H 2.057 . 2 578 47 47 LEU HG H 2.043 . 1 579 47 47 LEU HD1 H 0.892 . 2 580 47 47 LEU HD2 H 0.892 . 2 581 47 47 LEU CA C 54.758 . 1 582 47 47 LEU CB C 44.076 . 1 583 47 47 LEU CG C 27.063 . 1 584 47 47 LEU CD1 C 25.167 . 2 585 47 47 LEU CD2 C 25.167 . 2 586 47 47 LEU N N 128.653 . 1 587 48 48 ASP H H 8.649 . 1 588 48 48 ASP HA H 4.347 . 1 589 48 48 ASP HB2 H 2.737 . 2 590 48 48 ASP HB3 H 2.802 . 2 591 48 48 ASP CA C 55.600 . 1 592 48 48 ASP CB C 40.407 . 1 593 48 48 ASP N N 121.042 . 1 594 49 49 LYS H H 7.287 . 1 595 49 49 LYS HA H 4.541 . 1 596 49 49 LYS HB2 H 1.349 . 2 597 49 49 LYS HB3 H 1.442 . 2 598 49 49 LYS HG2 H 1.224 . 2 599 49 49 LYS HG3 H 1.224 . 2 600 49 49 LYS HD2 H 1.478 . 2 601 49 49 LYS HD3 H 1.645 . 2 602 49 49 LYS HE2 H 2.831 . 2 603 49 49 LYS HE3 H 2.853 . 2 604 49 49 LYS C C 179.744 . 1 605 49 49 LYS CA C 54.099 . 1 606 49 49 LYS CB C 35.378 . 1 607 49 49 LYS CG C 24.456 . 1 608 49 49 LYS CD C 28.177 . 1 609 49 49 LYS CE C 42.277 . 1 610 49 49 LYS N N 118.877 . 1 611 50 50 THR H H 8.064 . 1 612 50 50 THR HA H 4.628 . 1 613 50 50 THR HB H 3.772 . 1 614 50 50 THR HG2 H 1.140 . 1 615 50 50 THR CA C 63.920 . 1 616 50 50 THR CB C 71.365 . 1 617 50 50 THR CG2 C 22.902 . 1 618 50 50 THR N N 114.691 . 1 619 51 51 LYS H H 7.192 . 1 620 51 51 LYS HA H 4.570 . 1 621 51 51 LYS HB2 H 1.029 . 2 622 51 51 LYS HB3 H 1.143 . 2 623 51 51 LYS HG2 H 0.448 . 2 624 51 51 LYS HG3 H 0.927 . 2 625 51 51 LYS HD2 H 1.182 . 2 626 51 51 LYS HD3 H 1.361 . 2 627 51 51 LYS HE2 H 1.886 . 2 628 51 51 LYS HE3 H 1.970 . 2 629 51 51 LYS CA C 54.997 . 1 630 51 51 LYS CB C 32.700 . 1 631 51 51 LYS CG C 23.780 . 1 632 51 51 LYS CD C 29.601 . 1 633 51 51 LYS CE C 40.951 . 1 634 51 51 LYS N N 120.273 . 1 635 52 52 PHE H H 9.466 . 1 636 52 52 PHE HA H 5.503 . 1 637 52 52 PHE HB2 H 2.656 . 2 638 52 52 PHE HB3 H 2.749 . 2 639 52 52 PHE HD1 H 7.024 . 3 640 52 52 PHE HD2 H 7.024 . 3 641 52 52 PHE HE1 H 6.918 . 3 642 52 52 PHE HE2 H 6.918 . 3 643 52 52 PHE HZ H 7.203 . 1 644 52 52 PHE CA C 56.104 . 1 645 52 52 PHE CB C 43.188 . 1 646 52 52 PHE CD1 C 132.470 . 3 647 52 52 PHE CD2 C 132.470 . 3 648 52 52 PHE CE1 C 132.095 . 3 649 52 52 PHE CE2 C 132.095 . 3 650 52 52 PHE CZ C 131.345 . 1 651 52 52 PHE N N 121.816 . 1 652 53 53 LEU H H 8.608 . 1 653 53 53 LEU HA H 5.135 . 1 654 53 53 LEU HB2 H 0.868 . 2 655 53 53 LEU HB3 H 1.345 . 2 656 53 53 LEU HG H 1.154 . 1 657 53 53 LEU HD1 H -0.123 . 2 658 53 53 LEU HD2 H 0.283 . 2 659 53 53 LEU C C 175.042 . 1 660 53 53 LEU CA C 52.916 . 1 661 53 53 LEU CB C 45.242 . 1 662 53 53 LEU CG C 26.278 . 1 663 53 53 LEU CD1 C 24.542 . 2 664 53 53 LEU CD2 C 22.865 . 2 665 53 53 LEU N N 120.846 . 1 666 54 54 VAL H H 8.801 . 1 667 54 54 VAL HA H 4.755 . 1 668 54 54 VAL HB H 1.918 . 1 669 54 54 VAL HG2 H 0.845 . 2 670 54 54 VAL CA C 58.622 . 1 671 54 54 VAL CB C 35.150 . 1 672 54 54 VAL CG1 C 21.430 . 2 673 54 54 VAL CG2 C 21.845 . 2 674 54 54 VAL N N 123.773 . 1 675 55 55 PRO HA H 4.435 . 1 676 55 55 PRO HB2 H 1.649 . 2 677 55 55 PRO HB3 H 2.592 . 2 678 55 55 PRO HG2 H 2.125 . 2 679 55 55 PRO HG3 H 2.164 . 2 680 55 55 PRO HD2 H 3.497 . 2 681 55 55 PRO HD3 H 4.070 . 2 682 55 55 PRO C C 176.427 . 1 683 55 55 PRO CA C 64.298 . 1 684 55 55 PRO CB C 32.822 . 1 685 55 55 PRO CG C 28.218 . 1 686 55 55 PRO CD C 51.693 . 1 687 56 56 ASP H H 8.336 . 1 688 56 56 ASP HA H 3.880 . 1 689 56 56 ASP HB2 H 2.406 . 2 690 56 56 ASP HB3 H 2.747 . 2 691 56 56 ASP CA C 56.742 . 1 692 56 56 ASP CB C 40.481 . 1 693 56 56 ASP N N 121.214 . 1 694 57 57 HIS H H 7.464 . 1 695 57 57 HIS HA H 4.772 . 1 696 57 57 HIS HB2 H 3.063 . 2 697 57 57 HIS HB3 H 3.390 . 2 698 57 57 HIS HD2 H 7.094 . 1 699 57 57 HIS C C 174.806 . 1 700 57 57 HIS CA C 55.688 . 1 701 57 57 HIS CB C 30.450 . 1 702 57 57 HIS CD2 C 119.720 . 1 703 57 57 HIS N N 114.277 . 1 704 58 58 VAL H H 7.261 . 1 705 58 58 VAL HA H 3.909 . 1 706 58 58 VAL HB H 2.014 . 1 707 58 58 VAL HG2 H 0.789 . 2 708 58 58 VAL C C 177.148 . 1 709 58 58 VAL CA C 62.900 . 1 710 58 58 VAL CB C 32.320 . 1 711 58 58 VAL CG1 C 22.474 . 2 712 58 58 VAL CG2 C 21.570 . 2 713 58 58 VAL N N 123.531 . 1 714 59 59 ASN H H 8.819 . 1 715 59 59 ASN HA H 5.174 . 1 716 59 59 ASN HB2 H 2.630 . 2 717 59 59 ASN HB3 H 2.856 . 2 718 59 59 ASN HD21 H 7.470 . 2 719 59 59 ASN HD22 H 6.933 . 2 720 59 59 ASN C C 175.176 . 1 721 59 59 ASN CA C 51.374 . 1 722 59 59 ASN CB C 40.038 . 1 723 59 59 ASN N N 124.147 . 1 724 59 59 ASN ND2 N 112.449 . 1 725 60 60 MET H H 8.023 . 1 726 60 60 MET HA H 4.425 . 1 727 60 60 MET HB2 H 2.054 . 2 728 60 60 MET HB3 H 2.273 . 2 729 60 60 MET HG2 H 2.775 . 2 730 60 60 MET HG3 H 2.797 . 2 731 60 60 MET CA C 57.271 . 1 732 60 60 MET CB C 30.063 . 1 733 60 60 MET CG C 32.309 . 1 734 60 60 MET CE C 16.336 . 1 735 60 60 MET N N 117.583 . 1 736 61 61 SER H H 8.350 . 1 737 61 61 SER HA H 4.138 . 1 738 61 61 SER HB2 H 3.894 . 2 739 61 61 SER HB3 H 3.894 . 2 740 61 61 SER C C 178.809 . 1 741 61 61 SER CA C 61.553 . 1 742 61 61 SER CB C 62.581 . 1 743 61 61 SER N N 115.027 . 1 744 62 62 GLU H H 7.994 . 1 745 62 62 GLU HA H 3.979 . 1 746 62 62 GLU HB2 H 1.899 . 2 747 62 62 GLU HB3 H 2.350 . 2 748 62 62 GLU HG2 H 2.269 . 2 749 62 62 GLU HG3 H 2.435 . 2 750 62 62 GLU C C 176.456 . 1 751 62 62 GLU CA C 58.726 . 1 752 62 62 GLU CB C 29.700 . 1 753 62 62 GLU CG C 36.491 . 1 754 62 62 GLU N N 123.657 . 1 755 63 63 LEU H H 8.223 . 1 756 63 63 LEU HA H 3.949 . 1 757 63 63 LEU HB2 H 1.242 . 2 758 63 63 LEU HB3 H 2.096 . 2 759 63 63 LEU HG H 1.415 . 1 760 63 63 LEU HD1 H 0.776 . 2 761 63 63 LEU HD2 H 0.700 . 2 762 63 63 LEU C C 178.113 . 1 763 63 63 LEU CA C 57.860 . 1 764 63 63 LEU CB C 41.526 . 1 765 63 63 LEU CG C 27.066 . 1 766 63 63 LEU CD1 C 26.674 . 2 767 63 63 LEU CD2 C 23.801 . 2 768 63 63 LEU N N 121.225 . 1 769 64 64 ILE H H 8.301 . 1 770 64 64 ILE HA H 3.375 . 1 771 64 64 ILE HB H 1.956 . 1 772 64 64 ILE HG12 H 1.031 . 2 773 64 64 ILE HG13 H 1.912 . 2 774 64 64 ILE HG2 H 0.929 . 1 775 64 64 ILE HD1 H 0.969 . 1 776 64 64 ILE CA C 66.723 . 1 777 64 64 ILE CB C 38.161 . 1 778 64 64 ILE CG1 C 31.642 . 1 779 64 64 ILE CG2 C 17.340 . 1 780 64 64 ILE CD1 C 13.987 . 1 781 64 64 ILE N N 119.273 . 1 782 65 65 LYS H H 7.300 . 1 783 65 65 LYS HA H 3.703 . 1 784 65 65 LYS HB2 H 1.894 . 2 785 65 65 LYS HB3 H 1.937 . 2 786 65 65 LYS HG2 H 1.318 . 2 787 65 65 LYS HG3 H 1.608 . 2 788 65 65 LYS HD2 H 1.660 . 2 789 65 65 LYS HD3 H 1.660 . 2 790 65 65 LYS HE2 H 2.898 . 2 791 65 65 LYS HE3 H 2.898 . 2 792 65 65 LYS C C 173.869 . 1 793 65 65 LYS CA C 60.451 . 1 794 65 65 LYS CB C 32.300 . 1 795 65 65 LYS CG C 25.511 . 1 796 65 65 LYS CD C 29.615 . 1 797 65 65 LYS CE C 42.000 . 1 798 65 65 LYS N N 119.143 . 1 799 66 66 ILE H H 8.048 . 1 800 66 66 ILE HA H 3.541 . 1 801 66 66 ILE HB H 1.945 . 1 802 66 66 ILE HG12 H 0.983 . 2 803 66 66 ILE HG13 H 1.787 . 2 804 66 66 ILE HG2 H 0.805 . 1 805 66 66 ILE HD1 H 0.681 . 1 806 66 66 ILE C C 176.459 . 1 807 66 66 ILE CA C 65.290 . 1 808 66 66 ILE CB C 38.254 . 1 809 66 66 ILE CG1 C 28.908 . 1 810 66 66 ILE CG2 C 17.914 . 1 811 66 66 ILE CD1 C 13.715 . 1 812 66 66 ILE N N 120.527 . 1 813 67 67 ILE H H 8.308 . 1 814 67 67 ILE HA H 3.336 . 1 815 67 67 ILE HB H 1.626 . 1 816 67 67 ILE HG12 H 0.994 . 2 817 67 67 ILE HG13 H 1.276 . 2 818 67 67 ILE HG2 H 0.490 . 1 819 67 67 ILE HD1 H 0.353 . 1 820 67 67 ILE C C 178.102 . 1 821 67 67 ILE CA C 63.952 . 1 822 67 67 ILE CB C 35.891 . 1 823 67 67 ILE CG1 C 27.822 . 1 824 67 67 ILE CG2 C 18.726 . 1 825 67 67 ILE CD1 C 11.388 . 1 826 67 67 ILE N N 121.527 . 1 827 68 68 ARG H H 8.336 . 1 828 68 68 ARG HA H 2.970 . 1 829 68 68 ARG HB2 H 1.550 . 2 830 68 68 ARG HB3 H 1.550 . 2 831 68 68 ARG HG2 H 0.542 . 2 832 68 68 ARG HG3 H 1.292 . 2 833 68 68 ARG HD2 H 2.765 . 2 834 68 68 ARG HD3 H 3.200 . 2 835 68 68 ARG HE H 7.094 . 1 836 68 68 ARG C C 172.723 . 1 837 68 68 ARG CA C 60.704 . 1 838 68 68 ARG CB C 30.320 . 1 839 68 68 ARG CG C 28.906 . 1 840 68 68 ARG CD C 43.382 . 1 841 68 68 ARG N N 119.384 . 1 842 68 68 ARG NE N 82.40 . 1 843 69 69 ARG H H 7.432 . 1 844 69 69 ARG HA H 4.138 . 1 845 69 69 ARG HB2 H 1.853 . 2 846 69 69 ARG HB3 H 1.931 . 2 847 69 69 ARG HG2 H 1.587 . 2 848 69 69 ARG HG3 H 1.675 . 2 849 69 69 ARG HD2 H 3.137 . 2 850 69 69 ARG HD3 H 3.137 . 2 851 69 69 ARG HE H 7.245 . 1 852 69 69 ARG C C 172.480 . 1 853 69 69 ARG CA C 58.645 . 1 854 69 69 ARG CB C 29.779 . 1 855 69 69 ARG CG C 27.176 . 1 856 69 69 ARG CD C 43.415 . 1 857 69 69 ARG N N 117.648 . 1 858 69 69 ARG NE N 85.40 . 1 859 70 70 ARG H H 8.212 . 1 860 70 70 ARG HA H 4.074 . 1 861 70 70 ARG HB2 H 1.855 . 2 862 70 70 ARG HB3 H 1.855 . 2 863 70 70 ARG HG2 H 1.586 . 2 864 70 70 ARG HG3 H 1.675 . 2 865 70 70 ARG HD2 H 3.134 . 2 866 70 70 ARG HD3 H 3.188 . 2 867 70 70 ARG HE H 7.245 . 1 868 70 70 ARG C C 178.799 . 1 869 70 70 ARG CA C 58.385 . 1 870 70 70 ARG CB C 30.043 . 1 871 70 70 ARG CG C 27.193 . 1 872 70 70 ARG CD C 43.403 . 1 873 70 70 ARG N N 124.006 . 1 874 70 70 ARG NE N 85.357 . 1 875 71 71 LEU H H 7.750 . 1 876 71 71 LEU HA H 4.085 . 1 877 71 71 LEU HB2 H 1.333 . 2 878 71 71 LEU HB3 H 1.483 . 2 879 71 71 LEU HG H 1.388 . 1 880 71 71 LEU HD1 H 0.270 . 2 881 71 71 LEU HD2 H 0.641 . 2 882 71 71 LEU CA C 55.063 . 1 883 71 71 LEU CB C 43.100 . 1 884 71 71 LEU CG C 26.413 . 1 885 71 71 LEU CD1 C 27.358 . 2 886 71 71 LEU CD2 C 23.240 . 2 887 71 71 LEU N N 117.764 . 1 888 72 72 GLN H H 7.751 . 1 889 72 72 GLN HA H 3.839 . 1 890 72 72 GLN HB2 H 2.178 . 2 891 72 72 GLN HB3 H 2.218 . 2 892 72 72 GLN HG2 H 2.233 . 2 893 72 72 GLN HG3 H 2.233 . 2 894 72 72 GLN HE21 H 7.569 . 2 895 72 72 GLN HE22 H 6.812 . 2 896 72 72 GLN C C 175.744 . 1 897 72 72 GLN CA C 56.409 . 1 898 72 72 GLN CB C 25.959 . 1 899 72 72 GLN CG C 34.345 . 1 900 72 72 GLN CD C 181.391 . 1 901 72 72 GLN N N 115.522 . 1 902 72 72 GLN NE2 N 113.046 . 1 903 73 73 LEU H H 7.573 . 1 904 73 73 LEU HA H 4.254 . 1 905 73 73 LEU HB2 H 1.278 . 2 906 73 73 LEU HB3 H 1.328 . 2 907 73 73 LEU HG H 1.595 . 1 908 73 73 LEU HD1 H 0.516 . 2 909 73 73 LEU HD2 H 0.679 . 2 910 73 73 LEU C C 178.568 . 1 911 73 73 LEU CA C 54.468 . 1 912 73 73 LEU CB C 42.050 . 1 913 73 73 LEU CG C 26.014 . 1 914 73 73 LEU CD1 C 26.342 . 2 915 73 73 LEU CD2 C 22.684 . 2 916 73 73 LEU N N 115.900 . 1 917 74 74 ASN H H 8.949 . 1 918 74 74 ASN HA H 4.684 . 1 919 74 74 ASN HB2 H 2.812 . 2 920 74 74 ASN HB3 H 2.912 . 2 921 74 74 ASN HD21 H 7.712 . 2 922 74 74 ASN HD22 H 7.037 . 2 923 74 74 ASN C C 174.122 . 1 924 74 74 ASN CA C 52.724 . 1 925 74 74 ASN CB C 39.579 . 1 926 74 74 ASN CG C 176.501 . 1 927 74 74 ASN N N 122.154 . 1 928 74 74 ASN ND2 N 114.905 . 1 929 75 75 ALA H H 8.690 . 1 930 75 75 ALA HA H 3.972 . 1 931 75 75 ALA C C 178.113 . 1 932 75 75 ALA CA C 54.900 . 1 933 75 75 ALA CB C 18.708 . 1 934 75 75 ALA N N 124.274 . 1 935 76 76 ASN H H 8.340 . 1 936 76 76 ASN HA H 4.589 . 1 937 76 76 ASN HB2 H 2.833 . 2 938 76 76 ASN HB3 H 2.833 . 2 939 76 76 ASN HD21 H 7.558 . 2 940 76 76 ASN HD22 H 6.876 . 2 941 76 76 ASN C C 175.515 . 1 942 76 76 ASN CA C 53.276 . 1 943 76 76 ASN CB C 38.343 . 1 944 76 76 ASN CG C 177.365 . 1 945 76 76 ASN N N 112.911 . 1 946 76 76 ASN ND2 N 113.151 . 1 947 77 77 GLN H H 7.546 . 1 948 77 77 GLN HA H 4.287 . 1 949 77 77 GLN HB2 H 2.001 . 2 950 77 77 GLN HB3 H 2.161 . 2 951 77 77 GLN HG2 H 2.324 . 2 952 77 77 GLN HG3 H 2.397 . 2 953 77 77 GLN HE21 H 8.224 . 2 954 77 77 GLN HE22 H 7.315 . 2 955 77 77 GLN C C 175.053 . 1 956 77 77 GLN CA C 55.856 . 1 957 77 77 GLN CB C 30.320 . 1 958 77 77 GLN CG C 35.101 . 1 959 77 77 GLN CD C 180.151 . 1 960 77 77 GLN N N 121.144 . 1 961 77 77 GLN NE2 N 115.368 . 1 962 78 78 ALA H H 8.730 . 1 963 78 78 ALA HA H 4.179 . 1 964 78 78 ALA C C 176.453 . 1 965 78 78 ALA CA C 52.852 . 1 966 78 78 ALA CB C 20.074 . 1 967 78 78 ALA N N 131.146 . 1 968 79 79 PHE H H 7.601 . 1 969 79 79 PHE HA H 4.453 . 1 970 79 79 PHE HB2 H 2.570 . 2 971 79 79 PHE HB3 H 2.753 . 2 972 79 79 PHE HD1 H 6.905 . 3 973 79 79 PHE HD2 H 6.905 . 3 974 79 79 PHE HE1 H 6.763 . 3 975 79 79 PHE HE2 H 6.763 . 3 976 79 79 PHE HZ H 6.577 . 1 977 79 79 PHE C C 171.834 . 1 978 79 79 PHE CA C 59.115 . 1 979 79 79 PHE CB C 42.246 . 1 980 79 79 PHE CD1 C 131.533 . 3 981 79 79 PHE CD2 C 131.533 . 3 982 79 79 PHE CE1 C 129.845 . 3 983 79 79 PHE CE2 C 129.845 . 3 984 79 79 PHE CZ C 128.908 . 1 985 79 79 PHE N N 119.860 . 1 986 80 80 PHE H H 8.504 . 1 987 80 80 PHE HA H 4.396 . 1 988 80 80 PHE HB2 H 2.409 . 2 989 80 80 PHE HB3 H 2.777 . 2 990 80 80 PHE HD1 H 6.920 . 3 991 80 80 PHE HD2 H 6.920 . 3 992 80 80 PHE HE1 H 7.203 . 3 993 80 80 PHE HE2 H 7.203 . 3 994 80 80 PHE HZ H 7.272 . 1 995 80 80 PHE C C 173.169 . 1 996 80 80 PHE CA C 56.859 . 1 997 80 80 PHE CB C 41.946 . 1 998 80 80 PHE CD1 C 132.100 . 3 999 80 80 PHE CD2 C 132.100 . 3 1000 80 80 PHE CE1 C 131.345 . 3 1001 80 80 PHE CE2 C 131.345 . 3 1002 80 80 PHE CZ C 130.220 . 1 1003 80 80 PHE N N 126.800 . 1 1004 81 81 LEU H H 8.159 . 1 1005 81 81 LEU HA H 4.902 . 1 1006 81 81 LEU HB2 H 1.235 . 2 1007 81 81 LEU HB3 H 1.682 . 2 1008 81 81 LEU HG H 1.461 . 1 1009 81 81 LEU HD1 H 0.846 . 2 1010 81 81 LEU HD2 H 0.891 . 2 1011 81 81 LEU CA C 53.108 . 1 1012 81 81 LEU CB C 45.781 . 1 1013 81 81 LEU CG C 27.020 . 1 1014 81 81 LEU CD1 C 26.021 . 2 1015 81 81 LEU CD2 C 24.840 . 2 1016 81 81 LEU N N 122.590 . 1 1017 82 82 LEU H H 9.347 . 1 1018 82 82 LEU HA H 4.807 . 1 1019 82 82 LEU HB2 H 0.992 . 2 1020 82 82 LEU HB3 H 1.507 . 2 1021 82 82 LEU HG H 1.220 . 1 1022 82 82 LEU HD1 H 0.501 . 2 1023 82 82 LEU HD2 H 0.489 . 2 1024 82 82 LEU C C 174.204 . 1 1025 82 82 LEU CA C 54.200 . 1 1026 82 82 LEU CB C 43.650 . 1 1027 82 82 LEU CG C 27.678 . 1 1028 82 82 LEU CD1 C 24.763 . 2 1029 82 82 LEU CD2 C 24.455 . 2 1030 82 82 LEU N N 126.414 . 1 1031 83 83 VAL H H 8.676 . 1 1032 83 83 VAL HA H 4.466 . 1 1033 83 83 VAL HB H 2.005 . 1 1034 83 83 VAL HG2 H 0.972 . 2 1035 83 83 VAL C C 175.891 . 1 1036 83 83 VAL CA C 61.339 . 1 1037 83 83 VAL CB C 34.013 . 1 1038 83 83 VAL CG1 C 21.791 . 2 1039 83 83 VAL CG2 C 21.791 . 2 1040 83 83 VAL N N 123.910 . 1 1041 84 84 ASN H H 9.630 . 1 1042 84 84 ASN HA H 4.384 . 1 1043 84 84 ASN HB2 H 2.905 . 2 1044 84 84 ASN HB3 H 3.264 . 2 1045 84 84 ASN HD21 H 8.541 . 2 1046 84 84 ASN HD22 H 7.131 . 2 1047 84 84 ASN CA C 54.494 . 1 1048 84 84 ASN CB C 37.933 . 1 1049 84 84 ASN N N 127.149 . 1 1050 84 84 ASN ND2 N 116.358 . 1 1051 85 85 GLY H H 8.670 . 1 1052 85 85 GLY HA2 H 3.383 . 2 1053 85 85 GLY HA3 H 4.027 . 2 1054 85 85 GLY C C 175.112 . 1 1055 85 85 GLY CA C 45.624 . 1 1056 85 85 GLY N N 101.905 . 1 1057 86 86 HIS H H 7.927 . 1 1058 86 86 HIS HA H 5.039 . 1 1059 86 86 HIS HB2 H 3.224 . 2 1060 86 86 HIS HB3 H 3.320 . 2 1061 86 86 HIS HD2 H 7.245 . 1 1062 86 86 HIS CA C 53.890 . 1 1063 86 86 HIS CB C 30.888 . 1 1064 86 86 HIS CD2 C 121.408 . 1 1065 86 86 HIS N N 117.905 . 1 1066 87 87 SER H H 8.927 . 1 1067 87 87 SER HA H 4.397 . 1 1068 87 87 SER HB2 H 3.894 . 2 1069 87 87 SER HB3 H 3.894 . 2 1070 87 87 SER C C 175.275 . 1 1071 87 87 SER CA C 58.414 . 1 1072 87 87 SER CB C 63.772 . 1 1073 87 87 SER N N 118.646 . 1 1074 88 88 MET H H 9.088 . 1 1075 88 88 MET HA H 4.851 . 1 1076 88 88 MET HB2 H 2.011 . 2 1077 88 88 MET HB3 H 2.158 . 2 1078 88 88 MET HG2 H 2.628 . 2 1079 88 88 MET HG3 H 2.628 . 2 1080 88 88 MET C C 178.796 . 1 1081 88 88 MET CA C 54.727 . 1 1082 88 88 MET CB C 33.309 . 1 1083 88 88 MET CG C 32.674 . 1 1084 88 88 MET CE C 18.593 . 1 1085 88 88 MET N N 126.013 . 1 1086 89 89 VAL H H 8.144 . 1 1087 89 89 VAL HA H 4.057 . 1 1088 89 89 VAL HB H 2.192 . 1 1089 89 89 VAL HG2 H 1.047 . 2 1090 89 89 VAL C C 176.695 . 1 1091 89 89 VAL CA C 63.592 . 1 1092 89 89 VAL CB C 32.422 . 1 1093 89 89 VAL CG1 C 21.099 . 2 1094 89 89 VAL CG2 C 21.099 . 2 1095 89 89 VAL N N 121.153 . 1 1096 90 90 SER H H 8.322 . 1 1097 90 90 SER HA H 4.561 . 1 1098 90 90 SER HB2 H 3.934 . 2 1099 90 90 SER HB3 H 4.043 . 2 1100 90 90 SER C C 173.898 . 1 1101 90 90 SER CA C 57.895 . 1 1102 90 90 SER CB C 63.133 . 1 1103 90 90 SER N N 116.778 . 1 1104 91 91 VAL H H 8.036 . 1 1105 91 91 VAL HA H 4.286 . 1 1106 91 91 VAL HB H 2.275 . 1 1107 91 91 VAL HG2 H 1.041 . 2 1108 91 91 VAL CA C 62.846 . 1 1109 91 91 VAL CB C 32.069 . 1 1110 91 91 VAL CG1 C 19.561 . 2 1111 91 91 VAL CG2 C 21.577 . 2 1112 91 91 VAL N N 120.735 . 1 1113 92 92 SER H H 8.470 . 1 1114 92 92 SER HA H 4.549 . 1 1115 92 92 SER HB2 H 3.896 . 2 1116 92 92 SER HB3 H 4.016 . 2 1117 92 92 SER CA C 57.813 . 1 1118 92 92 SER CB C 63.488 . 1 1119 92 92 SER N N 118.146 . 1 1120 93 93 THR H H 7.382 . 1 1121 93 93 THR HA H 4.467 . 1 1122 93 93 THR HB H 3.812 . 1 1123 93 93 THR HG2 H 1.414 . 1 1124 93 93 THR CA C 61.005 . 1 1125 93 93 THR CB C 70.592 . 1 1126 93 93 THR CG2 C 22.133 . 1 1127 93 93 THR N N 119.747 . 1 1128 94 94 PRO HA H 4.424 . 1 1129 94 94 PRO HB2 H 2.108 . 2 1130 94 94 PRO HB3 H 2.468 . 2 1131 94 94 PRO HG2 H 2.118 . 2 1132 94 94 PRO HG3 H 2.159 . 2 1133 94 94 PRO HD2 H 3.812 . 2 1134 94 94 PRO HD3 H 4.074 . 2 1135 94 94 PRO CA C 63.060 . 1 1136 94 94 PRO CB C 32.798 . 1 1137 94 94 PRO CG C 28.178 . 1 1138 94 94 PRO CD C 51.727 . 1 1139 95 95 ILE H H 9.358 . 1 1140 95 95 ILE HA H 3.984 . 1 1141 95 95 ILE HB H 1.756 . 1 1142 95 95 ILE HG12 H 1.198 . 2 1143 95 95 ILE HG13 H 1.375 . 2 1144 95 95 ILE HG2 H 0.911 . 1 1145 95 95 ILE HD1 H 0.693 . 1 1146 95 95 ILE CA C 63.963 . 1 1147 95 95 ILE CB C 38.200 . 1 1148 95 95 ILE CG1 C 29.374 . 1 1149 95 95 ILE CG2 C 18.034 . 1 1150 95 95 ILE CD1 C 14.619 . 1 1151 95 95 ILE N N 124.894 . 1 1152 96 96 SER H H 8.202 . 1 1153 96 96 SER HA H 4.004 . 1 1154 96 96 SER HB2 H 4.016 . 2 1155 96 96 SER HB3 H 4.016 . 2 1156 96 96 SER CA C 61.700 . 1 1157 96 96 SER CB C 61.400 . 1 1158 96 96 SER N N 117.523 . 1 1159 97 97 GLU H H 7.301 . 1 1160 97 97 GLU HA H 4.282 . 1 1161 97 97 GLU HB2 H 2.107 . 2 1162 97 97 GLU HB3 H 2.151 . 2 1163 97 97 GLU HG2 H 2.267 . 2 1164 97 97 GLU HG3 H 2.367 . 2 1165 97 97 GLU CA C 58.700 . 1 1166 97 97 GLU CB C 29.800 . 1 1167 97 97 GLU CG C 36.510 . 1 1168 97 97 GLU N N 123.657 . 1 1169 98 98 VAL H H 7.410 . 1 1170 98 98 VAL HA H 3.797 . 1 1171 98 98 VAL HB H 2.165 . 1 1172 98 98 VAL HG2 H 1.068 . 2 1173 98 98 VAL CA C 65.949 . 1 1174 98 98 VAL CB C 32.186 . 1 1175 98 98 VAL CG1 C 21.800 . 2 1176 98 98 VAL CG2 C 22.126 . 2 1177 98 98 VAL N N 121.907 . 1 1178 99 99 TYR H H 9.071 . 1 1179 99 99 TYR HA H 4.016 . 1 1180 99 99 TYR HB2 H 3.037 . 2 1181 99 99 TYR HB3 H 3.158 . 2 1182 99 99 TYR HD1 H 7.108 . 3 1183 99 99 TYR HD2 H 7.108 . 3 1184 99 99 TYR HE1 H 6.905 . 3 1185 99 99 TYR HE2 H 6.905 . 3 1186 99 99 TYR C C 175.741 . 1 1187 99 99 TYR CA C 62.229 . 1 1188 99 99 TYR CB C 38.967 . 1 1189 99 99 TYR CD1 C 133.783 . 3 1190 99 99 TYR CD2 C 133.783 . 3 1191 99 99 TYR CE1 C 118.033 . 3 1192 99 99 TYR CE2 C 118.033 . 3 1193 99 99 TYR N N 119.526 . 1 1194 100 100 GLU H H 7.342 . 1 1195 100 100 GLU HA H 3.850 . 1 1196 100 100 GLU HB2 H 2.136 . 2 1197 100 100 GLU HB3 H 2.136 . 2 1198 100 100 GLU HG2 H 2.494 . 2 1199 100 100 GLU HG3 H 2.494 . 2 1200 100 100 GLU C C 178.094 . 1 1201 100 100 GLU CA C 58.920 . 1 1202 100 100 GLU CB C 29.481 . 1 1203 100 100 GLU CG C 35.630 . 1 1204 100 100 GLU N N 114.405 . 1 1205 101 101 SER H H 7.410 . 1 1206 101 101 SER HA H 4.529 . 1 1207 101 101 SER HB2 H 3.989 . 2 1208 101 101 SER HB3 H 3.989 . 2 1209 101 101 SER C C 176.681 . 1 1210 101 101 SER CA C 60.313 . 1 1211 101 101 SER CB C 64.703 . 1 1212 101 101 SER N N 109.656 . 1 1213 102 102 GLU H H 8.500 . 1 1214 102 102 GLU HA H 4.721 . 1 1215 102 102 GLU HB2 H 1.658 . 2 1216 102 102 GLU HB3 H 2.272 . 2 1217 102 102 GLU HG2 H 2.246 . 2 1218 102 102 GLU HG3 H 2.398 . 2 1219 102 102 GLU CA C 55.592 . 1 1220 102 102 GLU CB C 30.564 . 1 1221 102 102 GLU CG C 35.035 . 1 1222 102 102 GLU N N 117.283 . 1 1223 103 103 LYS H H 7.777 . 1 1224 103 103 LYS HA H 4.179 . 1 1225 103 103 LYS HB2 H 1.291 . 2 1226 103 103 LYS HB3 H 1.445 . 2 1227 103 103 LYS HG2 H 1.038 . 2 1228 103 103 LYS HG3 H 1.038 . 2 1229 103 103 LYS HD2 H 0.570 . 2 1230 103 103 LYS HD3 H 1.114 . 2 1231 103 103 LYS HE2 H 2.708 . 2 1232 103 103 LYS HE3 H 2.761 . 2 1233 103 103 LYS C C 175.032 . 1 1234 103 103 LYS CA C 57.154 . 1 1235 103 103 LYS CB C 32.238 . 1 1236 103 103 LYS CG C 22.612 . 1 1237 103 103 LYS CD C 29.129 . 1 1238 103 103 LYS CE C 42.335 . 1 1239 103 103 LYS N N 118.772 . 1 1240 104 104 ASP H H 9.030 . 1 1241 104 104 ASP HA H 5.032 . 1 1242 104 104 ASP HB2 H 3.213 . 2 1243 104 104 ASP HB3 H 3.900 . 2 1244 104 104 ASP C C 177.548 . 1 1245 104 104 ASP CA C 53.882 . 1 1246 104 104 ASP CB C 43.420 . 1 1247 104 104 ASP N N 124.024 . 1 1248 105 105 GLU H H 8.894 . 1 1249 105 105 GLU HA H 4.179 . 1 1250 105 105 GLU HB2 H 2.208 . 2 1251 105 105 GLU HB3 H 2.208 . 2 1252 105 105 GLU HG2 H 2.506 . 2 1253 105 105 GLU HG3 H 2.506 . 2 1254 105 105 GLU CA C 59.526 . 1 1255 105 105 GLU CB C 30.036 . 1 1256 105 105 GLU CG C 36.569 . 1 1257 105 105 GLU N N 125.669 . 1 1258 106 106 ASP H H 9.838 . 1 1259 106 106 ASP HA H 4.180 . 1 1260 106 106 ASP HB2 H 2.653 . 2 1261 106 106 ASP HB3 H 2.840 . 2 1262 106 106 ASP C C 176.018 . 1 1263 106 106 ASP CA C 54.750 . 1 1264 106 106 ASP CB C 40.250 . 1 1265 106 106 ASP N N 119.257 . 1 1266 107 107 GLY H H 7.945 . 1 1267 107 107 GLY HA2 H 3.388 . 2 1268 107 107 GLY HA3 H 4.453 . 2 1269 107 107 GLY CA C 45.125 . 1 1270 107 107 GLY N N 106.307 . 1 1271 108 108 PHE H H 9.739 . 1 1272 108 108 PHE HA H 4.670 . 1 1273 108 108 PHE HB2 H 2.082 . 2 1274 108 108 PHE HB3 H 3.531 . 2 1275 108 108 PHE HD1 H 7.103 . 3 1276 108 108 PHE HD2 H 7.103 . 3 1277 108 108 PHE HE1 H 7.276 . 3 1278 108 108 PHE HE2 H 7.276 . 3 1279 108 108 PHE C C 179.501 . 1 1280 108 108 PHE CA C 60.288 . 1 1281 108 108 PHE CB C 40.506 . 1 1282 108 108 PHE CD1 C 131.908 . 3 1283 108 108 PHE CD2 C 131.908 . 3 1284 108 108 PHE CE1 C 130.408 . 3 1285 108 108 PHE CE2 C 130.408 . 3 1286 108 108 PHE N N 124.389 . 1 1287 109 109 LEU H H 7.968 . 1 1288 109 109 LEU HA H 5.038 . 1 1289 109 109 LEU HB2 H 1.491 . 2 1290 109 109 LEU HB3 H 2.280 . 2 1291 109 109 LEU HG H 1.500 . 1 1292 109 109 LEU HD1 H 0.843 . 2 1293 109 109 LEU HD2 H 0.953 . 2 1294 109 109 LEU CA C 53.479 . 1 1295 109 109 LEU CB C 45.197 . 1 1296 109 109 LEU CG C 27.232 . 1 1297 109 109 LEU CD1 C 26.700 . 2 1298 109 109 LEU CD2 C 24.690 . 2 1299 109 109 LEU N N 120.814 . 1 1300 110 110 TYR H H 9.349 . 1 1301 110 110 TYR HA H 4.907 . 1 1302 110 110 TYR HB2 H 2.947 . 2 1303 110 110 TYR HB3 H 3.058 . 2 1304 110 110 TYR HD1 H 7.345 . 3 1305 110 110 TYR HD2 H 7.345 . 3 1306 110 110 TYR HE1 H 7.257 . 3 1307 110 110 TYR HE2 H 7.257 . 3 1308 110 110 TYR CA C 59.259 . 1 1309 110 110 TYR CB C 39.469 . 1 1310 110 110 TYR CD1 C 132.845 . 3 1311 110 110 TYR CD2 C 132.845 . 3 1312 110 110 TYR CE1 C 119.345 . 3 1313 110 110 TYR CE2 C 119.345 . 3 1314 110 110 TYR N N 127.403 . 1 1315 111 111 MET H H 9.575 . 1 1316 111 111 MET HA H 5.543 . 1 1317 111 111 MET HB2 H 1.958 . 2 1318 111 111 MET HB3 H 1.958 . 2 1319 111 111 MET HG2 H 2.452 . 2 1320 111 111 MET HG3 H 2.452 . 2 1321 111 111 MET CA C 54.341 . 1 1322 111 111 MET CB C 36.894 . 1 1323 111 111 MET CG C 33.578 . 1 1324 111 111 MET CE C 19.131 . 1 1325 111 111 MET N N 120.344 . 1 1326 112 112 VAL H H 8.730 . 1 1327 112 112 VAL HA H 5.938 . 1 1328 112 112 VAL HB H 1.926 . 1 1329 112 112 VAL HG2 H 1.033 . 2 1330 112 112 VAL C C 176.696 . 1 1331 112 112 VAL CA C 59.068 . 1 1332 112 112 VAL CB C 36.180 . 1 1333 112 112 VAL CG1 C 21.350 . 2 1334 112 112 VAL CG2 C 21.780 . 2 1335 112 112 VAL N N 121.026 . 1 1336 113 113 TYR H H 8.172 . 1 1337 113 113 TYR HA H 6.143 . 1 1338 113 113 TYR HB2 H 2.443 . 2 1339 113 113 TYR HB3 H 2.737 . 2 1340 113 113 TYR HD1 H 6.834 . 3 1341 113 113 TYR HD2 H 6.834 . 3 1342 113 113 TYR HE1 H 6.687 . 3 1343 113 113 TYR HE2 H 6.687 . 3 1344 113 113 TYR C C 173.533 . 1 1345 113 113 TYR CA C 54.165 . 1 1346 113 113 TYR CB C 43.667 . 1 1347 113 113 TYR CD1 C 133.783 . 3 1348 113 113 TYR CD2 C 133.783 . 3 1349 113 113 TYR CE1 C 117.095 . 3 1350 113 113 TYR CE2 C 117.095 . 3 1351 113 113 TYR N N 119.995 . 1 1352 114 114 ALA H H 8.499 . 1 1353 114 114 ALA HA H 4.750 . 1 1354 114 114 ALA C C 176.007 . 1 1355 114 114 ALA CA C 51.356 . 1 1356 114 114 ALA CB C 24.623 . 1 1357 114 114 ALA N N 120.454 . 1 1358 115 115 SER H H 9.823 . 1 1359 115 115 SER HA H 4.505 . 1 1360 115 115 SER HB2 H 3.893 . 2 1361 115 115 SER HB3 H 4.316 . 2 1362 115 115 SER C C 172.860 . 1 1363 115 115 SER CA C 58.837 . 1 1364 115 115 SER CB C 63.798 . 1 1365 115 115 SER N N 115.279 . 1 1366 116 116 GLN H H 7.165 . 1 1367 116 116 GLN HA H 4.453 . 1 1368 116 116 GLN HB2 H 1.754 . 2 1369 116 116 GLN HB3 H 1.969 . 2 1370 116 116 GLN HG2 H 2.015 . 2 1371 116 116 GLN HG3 H 2.082 . 2 1372 116 116 GLN HE21 H 7.510 . 2 1373 116 116 GLN HE22 H 6.854 . 2 1374 116 116 GLN C C 173.181 . 1 1375 116 116 GLN CA C 54.024 . 1 1376 116 116 GLN CB C 32.179 . 1 1377 116 116 GLN CG C 33.347 . 1 1378 116 116 GLN CD C 180.452 . 1 1379 116 116 GLN N N 117.398 . 1 1380 116 116 GLN NE2 N 113.241 . 1 1381 117 117 GLU H H 7.873 . 1 1382 117 117 GLU HA H 3.224 . 1 1383 117 117 GLU HB2 H 1.120 . 2 1384 117 117 GLU HB3 H 1.255 . 2 1385 117 117 GLU HG2 H 1.510 . 2 1386 117 117 GLU HG3 H 1.660 . 2 1387 117 117 GLU C C 175.451 . 1 1388 117 117 GLU CA C 56.917 . 1 1389 117 117 GLU CB C 30.206 . 1 1390 117 117 GLU CG C 36.398 . 1 1391 117 117 GLU N N 118.885 . 1 1392 118 118 THR H H 6.988 . 1 1393 118 118 THR HA H 4.074 . 1 1394 118 118 THR HB H 3.921 . 1 1395 118 118 THR HG2 H 0.911 . 1 1396 118 118 THR C C 173.234 . 1 1397 118 118 THR CA C 60.300 . 1 1398 118 118 THR CB C 70.118 . 1 1399 118 118 THR CG2 C 21.250 . 1 1400 118 118 THR N N 110.883 . 1 1401 119 119 PHE H H 8.122 . 1 1402 119 119 PHE HA H 4.397 . 1 1403 119 119 PHE HB2 H 2.638 . 2 1404 119 119 PHE HB3 H 2.984 . 2 1405 119 119 PHE HD1 H 6.754 . 3 1406 119 119 PHE HD2 H 6.754 . 3 1407 119 119 PHE HE1 H 6.758 . 3 1408 119 119 PHE HE2 H 6.758 . 3 1409 119 119 PHE HZ H 6.768 . 1 1410 119 119 PHE C C 175.045 . 1 1411 119 119 PHE CA C 56.810 . 1 1412 119 119 PHE CB C 39.349 . 1 1413 119 119 PHE CD1 C 131.533 . 3 1414 119 119 PHE CD2 C 131.533 . 3 1415 119 119 PHE CE1 C 130.780 . 3 1416 119 119 PHE CE2 C 130.780 . 3 1417 119 119 PHE CZ C 129.283 . 1 1418 119 119 PHE N N 122.773 . 1 1419 120 120 GLY H H 7.845 . 1 1420 120 120 GLY HA3 H 3.758 . 2 1421 120 120 GLY CA C 46.177 . 1 1422 120 120 GLY N N 116.195 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CO)CA' '3D HNCA' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-13C NOESY aromatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' 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_2 _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 11 2 TYR H H 8.216 . 1 2 11 2 TYR HA H 4.400 . 1 3 11 2 TYR HD1 H 7.207 . 3 4 11 2 TYR HD2 H 7.207 . 3 5 11 2 TYR HE1 H 6.926 . 3 6 11 2 TYR HE2 H 6.926 . 3 7 12 3 GLU H H 8.245 . 1 8 12 3 GLU HA H 4.598 . 1 9 12 3 GLU HB2 H 2.550 . 2 10 12 3 GLU HB3 H 2.628 . 2 11 12 3 GLU HG2 H 1.952 . 2 12 12 3 GLU HG3 H 2.062 . 2 13 13 4 SER H H 8.150 . 1 14 13 4 SER HA H 4.420 . 1 15 13 4 SER HB2 H 4.430 . 2 16 13 4 SER HB3 H 4.450 . 2 17 14 5 ASP H H 8.434 . 1 18 14 5 ASP HA H 4.650 . 1 19 14 5 ASP HB2 H 2.658 . 2 20 14 5 ASP HB3 H 2.792 . 2 21 15 6 ASP H H 8.301 . 1 22 15 6 ASP HA H 4.696 . 1 23 15 6 ASP HB2 H 2.778 . 2 24 15 6 ASP HB3 H 2.602 . 2 25 16 7 ASP H H 8.361 . 1 26 16 7 ASP HA H 4.654 . 1 27 16 7 ASP HB2 H 2.594 . 2 28 16 7 ASP HB3 H 2.789 . 2 29 18 9 TYR HA H 4.531 . 1 30 18 9 TYR HB2 H 2.997 . 2 31 18 9 TYR HB3 H 3.082 . 2 32 18 9 TYR HD1 H 7.130 . 3 33 18 9 TYR HD2 H 7.130 . 3 34 18 9 TYR HE1 H 6.838 . 3 35 18 9 TYR HE2 H 6.838 . 3 36 18 9 TYR HH H 6.782 . 1 37 19 10 GLU H H 8.413 . 1 38 19 10 GLU HA H 4.270 . 1 39 19 10 GLU HB2 H 1.901 . 2 40 19 10 GLU HB3 H 2.009 . 2 41 19 10 GLU HG3 H 2.235 . 2 42 20 11 VAL H H 8.870 . 1 43 20 11 VAL HA H 4.306 . 1 44 20 11 VAL HB H 2.041 . 1 45 20 11 VAL HG1 H 0.800 . 2 46 20 11 VAL HG2 H 0.827 . 2 47 21 12 LEU H H 8.649 . 1 48 21 12 LEU HA H 4.310 . 1 49 21 12 LEU HB2 H 1.593 . 2 50 21 12 LEU HB3 H 1.747 . 2 51 21 12 LEU HG H 1.647 . 1 52 21 12 LEU HD1 H 0.935 . 2 53 21 12 LEU HD2 H 0.847 . 2 54 22 13 ASP H H 8.124 . 1 55 22 13 ASP HA H 4.699 . 1 56 22 13 ASP HB2 H 2.568 . 2 57 22 13 ASP HB3 H 2.719 . 2 58 23 14 LEU HG H 1.763 . 1 59 23 14 LEU HD1 H 0.785 . 2 60 23 14 LEU HD2 H 0.531 . 2 61 24 15 THR H H 8.139 . 1 62 24 15 THR HA H 4.222 . 1 63 24 15 THR HB H 4.111 . 1 64 24 15 THR HG2 H 1.114 . 1 65 25 16 GLU H H 8.190 . 1 66 25 16 GLU HA H 4.241 . 1 67 25 16 GLU HB2 H 1.821 . 2 68 25 16 GLU HB3 H 1.962 . 2 69 25 16 GLU HG2 H 2.110 . 2 70 25 16 GLU HG3 H 2.183 . 2 71 26 17 TYR H H 7.594 . 1 72 26 17 TYR HA H 4.343 . 1 73 26 17 TYR HB2 H 2.828 . 2 74 26 17 TYR HB3 H 3.059 . 2 75 26 17 TYR HD1 H 7.052 . 3 76 26 17 TYR HD2 H 7.052 . 3 77 26 17 TYR HE1 H 6.785 . 3 78 26 17 TYR HE2 H 6.785 . 3 stop_ save_