data_34115 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of detergent-solubilized Rcf1, a yeast mitochondrial inner membrane protein involved in respiratory Complex III/IV supercomplex formation ; _BMRB_accession_number 34115 _BMRB_flat_file_name bmr34115.str _Entry_type original _Submission_date 2017-03-13 _Accession_date 2017-03-13 _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 Zhou S. . . 2 Pettersson P. . . 3 Sjoholm J. . . 4 Sjostrand D. . . 5 Hogbom M. . . 6 Brzezinski P. . . 7 Maler L. . . 8 Adelroth P. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 847 "13C chemical shifts" 623 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-17 update BMRB 'update entry citation' 2018-02-23 original author 'original release' stop_ _Original_release_date 2018-02-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of yeast Rcf1, a protein involved in respiratory supercomplex formation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29507228 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhou Shu . . 2 Pettersson Pontus . . 3 Huang Jingjing . . 4 Sjoholm Johannes . . 5 Sjostrand Dan . . 6 Pomes Regis . . 7 Hogbom Martin . . 8 Brzezinski Peter . . 9 Maler Lena . . 10 Adelroth Pia . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 115 _Journal_issue 12 _Journal_ISSN 1091-6490 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3048 _Page_last 3053 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Respiratory supercomplex factor 1, mitochondrial' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $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 20388.496 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; MSRMPSSFDVTERDLDDMTF GERIIYHCKKQPLVPIGCLL TTGAVILAAQNVRLGNKWKA QYYFRWRVGLQAATLVALVA GSFIYGTSGKELKAKEEQLK EKAKMREKLWIQELERREEE TEARRKRAELARMKTLENEE EIKNLEKELSDLENKLGKKE FRVPGSHHHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ARG 4 MET 5 PRO 6 SER 7 SER 8 PHE 9 ASP 10 VAL 11 THR 12 GLU 13 ARG 14 ASP 15 LEU 16 ASP 17 ASP 18 MET 19 THR 20 PHE 21 GLY 22 GLU 23 ARG 24 ILE 25 ILE 26 TYR 27 HIS 28 CYS 29 LYS 30 LYS 31 GLN 32 PRO 33 LEU 34 VAL 35 PRO 36 ILE 37 GLY 38 CYS 39 LEU 40 LEU 41 THR 42 THR 43 GLY 44 ALA 45 VAL 46 ILE 47 LEU 48 ALA 49 ALA 50 GLN 51 ASN 52 VAL 53 ARG 54 LEU 55 GLY 56 ASN 57 LYS 58 TRP 59 LYS 60 ALA 61 GLN 62 TYR 63 TYR 64 PHE 65 ARG 66 TRP 67 ARG 68 VAL 69 GLY 70 LEU 71 GLN 72 ALA 73 ALA 74 THR 75 LEU 76 VAL 77 ALA 78 LEU 79 VAL 80 ALA 81 GLY 82 SER 83 PHE 84 ILE 85 TYR 86 GLY 87 THR 88 SER 89 GLY 90 LYS 91 GLU 92 LEU 93 LYS 94 ALA 95 LYS 96 GLU 97 GLU 98 GLN 99 LEU 100 LYS 101 GLU 102 LYS 103 ALA 104 LYS 105 MET 106 ARG 107 GLU 108 LYS 109 LEU 110 TRP 111 ILE 112 GLN 113 GLU 114 LEU 115 GLU 116 ARG 117 ARG 118 GLU 119 GLU 120 GLU 121 THR 122 GLU 123 ALA 124 ARG 125 ARG 126 LYS 127 ARG 128 ALA 129 GLU 130 LEU 131 ALA 132 ARG 133 MET 134 LYS 135 THR 136 LEU 137 GLU 138 ASN 139 GLU 140 GLU 141 GLU 142 ILE 143 LYS 144 ASN 145 LEU 146 GLU 147 LYS 148 GLU 149 LEU 150 SER 151 ASP 152 LEU 153 GLU 154 ASN 155 LYS 156 LEU 157 GLY 158 LYS 159 LYS 160 GLU 161 PHE 162 ARG 163 VAL 164 PRO 165 GLY 166 SER 167 HIS 168 HIS 169 HIS 170 HIS 171 HIS 172 HIS 173 HIS 174 HIS 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 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 'RCF1, AIM31, SCRG_01865' 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-13C; U-15N; U-2H] rcf1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-13C; U-15N; U-2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-13C; U-15N] rcf1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-13C; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-13C; U-15N; 50% U-2H] rcf1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-13C; U-15N; 50% U-2H]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-15N; U-2H; 99%-1HD, 13CD-IL; 99%-1HG, 13CG-V] rcf1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-15N; U-2H; 99%-1HD, 13CD-IL; 99%-1HG, 13CG-V]' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-50% 13C; U-50% 15N; U-50% 12C; U-50% 14N] rcf1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-50% 13C; U-50% 15N; U-50% 12C; U-50% 14N]' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '0.4 mM [U-15N] rcf1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_N-NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N-NOESY-HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_CC(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_N-NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N-NOESY-HSQC' _Sample_label $sample_3 save_ save_3D_C-NOESY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-NOESY-HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_N-NOESY-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N-NOESY-HSQC' _Sample_label $sample_4 save_ save_3D_C-NOESY-HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-NOESY-HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_3D_C-NOESY-HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-NOESY-HSQC' _Sample_label $sample_5 save_ save_3D_F1-13C/15N-filtered,_F3-15N-edited-NOESY-HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1-13C/15N-filtered, F3-15N-edited-NOESY-HSQC' _Sample_label $sample_6 save_ save_3D_F1-13C/15N-filtered,_F3-13C-edited-NOESY-HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1-13C/15N-filtered, F3-13C-edited-NOESY-HSQC' _Sample_label $sample_6 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 . mM pH 5.0 . pH pressure 1 . Pa temperature 323 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 5.0 . pH pressure 1 . Pa temperature 323 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 5.0 . pH pressure 1 . Pa temperature 323 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 5.0 . pH pressure 1 . Pa temperature 323 . K stop_ save_ save_sample_conditions_5 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 5.0 . pH pressure 1 . Pa temperature 323 . K stop_ save_ save_sample_conditions_6 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 5.0 . pH pressure 1 . Pa temperature 323 . 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 water C 13 protons ppm 40 internal indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 115.4 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(COCA)CB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D N-NOESY-HSQC' '3D HCCH-TOCSY' '3D CC(CO)NH' '3D H(CCO)NH' '2D 1H-13C HSQC' '3D C-NOESY-HSQC' '3D F1-13C/15N-filtered, F3-15N-edited-NOESY-HSQC' '3D F1-13C/15N-filtered, F3-13C-edited-NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 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 6 6 SER H H 8.480 0.02 1 2 6 6 SER HA H 4.612 0.02 1 3 6 6 SER HB2 H 3.985 0.02 2 4 6 6 SER HB3 H 4.070 0.02 2 5 6 6 SER C C 174.464 0.3 1 6 6 6 SER CA C 58.105 0.3 1 7 6 6 SER CB C 63.506 0.3 1 8 6 6 SER N N 115.442 0.3 1 9 7 7 SER H H 8.629 0.02 1 10 7 7 SER HA H 4.532 0.02 1 11 7 7 SER HB2 H 3.821 0.02 1 12 7 7 SER C C 173.141 0.3 1 13 7 7 SER CA C 58.092 0.011 1 14 7 7 SER CB C 63.638 0.014 1 15 7 7 SER N N 116.328 0.3 1 16 8 8 PHE H H 8.230 0.02 1 17 8 8 PHE C C 175.201 0.3 1 18 8 8 PHE CA C 57.506 0.3 1 19 8 8 PHE CB C 38.892 0.3 1 20 8 8 PHE N N 120.575 0.3 1 21 9 9 ASP C C 174.973 0.3 1 22 9 9 ASP CA C 52.686 0.3 1 23 9 9 ASP CB C 38.305 0.3 1 24 10 10 VAL H H 7.814 0.02 1 25 10 10 VAL C C 176.456 0.3 1 26 10 10 VAL CA C 62.510 0.3 1 27 10 10 VAL CB C 32.826 0.3 1 28 10 10 VAL N N 119.096 0.3 1 29 11 11 THR H H 8.202 0.02 1 30 11 11 THR HA H 4.628 0.02 1 31 11 11 THR HB H 4.189 0.02 1 32 11 11 THR C C 176.101 0.3 1 33 11 11 THR CA C 61.226 0.3 1 34 11 11 THR CB C 68.995 0.3 1 35 11 11 THR N N 114.625 0.3 1 36 12 12 GLU H H 8.408 0.02 1 37 12 12 GLU HA H 4.411 0.02 1 38 12 12 GLU HB2 H 2.142 0.02 1 39 12 12 GLU C C 176.615 0.3 1 40 12 12 GLU CA C 56.820 0.009 1 41 12 12 GLU CB C 29.252 0.005 1 42 12 12 GLU N N 122.515 0.05 1 43 13 13 ARG H H 8.200 0.02 1 44 13 13 ARG HA H 4.266 0.02 1 45 13 13 ARG HB2 H 1.901 0.02 2 46 13 13 ARG HB3 H 1.965 0.02 2 47 13 13 ARG HG2 H 1.660 0.02 2 48 13 13 ARG HG3 H 1.793 0.02 2 49 13 13 ARG HD2 H 3.028 0.02 2 50 13 13 ARG HD3 H 3.132 0.02 2 51 13 13 ARG C C 176.295 0.3 1 52 13 13 ARG CA C 57.476 0.3 1 53 13 13 ARG CB C 30.144 0.3 1 54 13 13 ARG N N 121.009 0.04 1 55 14 14 ASP H H 7.993 0.02 1 56 14 14 ASP CA C 53.996 0.3 1 57 14 14 ASP CB C 39.296 0.3 1 58 14 14 ASP N N 121.796 0.3 1 59 15 15 LEU H H 8.118 0.006 1 60 15 15 LEU HA H 4.283 0.005 1 61 15 15 LEU HB2 H 1.766 0.005 2 62 15 15 LEU HB3 H 1.680 0.02 2 63 15 15 LEU HG H 1.648 0.053 1 64 15 15 LEU HD1 H 0.749 0.02 2 65 15 15 LEU HD2 H 0.608 0.02 2 66 15 15 LEU C C 178.324 0.3 1 67 15 15 LEU CA C 57.527 0.3 1 68 15 15 LEU CB C 41.224 0.003 1 69 15 15 LEU CD1 C 22.669 0.3 2 70 15 15 LEU CD2 C 21.021 0.3 2 71 15 15 LEU N N 121.852 0.042 1 72 16 16 ASP H H 8.210 0.008 1 73 16 16 ASP HA H 4.617 0.02 1 74 16 16 ASP HB2 H 2.805 0.005 2 75 16 16 ASP HB3 H 2.855 0.02 2 76 16 16 ASP C C 176.434 0.3 1 77 16 16 ASP CA C 55.424 0.3 1 78 16 16 ASP CB C 40.222 0.3 1 79 16 16 ASP N N 118.056 0.046 1 80 17 17 ASP H H 8.228 0.02 1 81 17 17 ASP HA H 4.824 0.02 1 82 17 17 ASP HB2 H 2.760 0.02 1 83 17 17 ASP C C 176.532 0.3 1 84 17 17 ASP CA C 54.871 0.3 1 85 17 17 ASP CB C 37.817 0.3 1 86 17 17 ASP N N 118.255 0.3 1 87 18 18 MET H H 7.727 0.02 1 88 18 18 MET HA H 4.061 0.02 1 89 18 18 MET HB2 H 2.183 0.035 2 90 18 18 MET HB3 H 2.911 0.02 2 91 18 18 MET HG2 H 2.601 0.02 2 92 18 18 MET HG3 H 2.438 0.02 2 93 18 18 MET HE H 2.043 0.02 1 94 18 18 MET C C 177.328 0.3 1 95 18 18 MET CA C 59.073 0.3 1 96 18 18 MET CB C 34.457 0.3 1 97 18 18 MET CG C 32.304 0.3 1 98 18 18 MET CE C 14.798 0.3 1 99 18 18 MET N N 119.461 0.3 1 100 19 19 THR H H 8.169 0.02 1 101 19 19 THR HA H 3.999 0.02 1 102 19 19 THR HB H 4.199 0.02 1 103 19 19 THR HG1 H 4.413 0.02 1 104 19 19 THR HG2 H 1.296 0.02 1 105 19 19 THR C C 175.294 0.3 1 106 19 19 THR CA C 63.905 0.3 1 107 19 19 THR CB C 68.566 0.3 1 108 19 19 THR CG2 C 19.882 0.3 1 109 19 19 THR N N 114.593 0.3 1 110 20 20 PHE H H 9.295 0.01 1 111 20 20 PHE HA H 4.606 0.02 1 112 20 20 PHE HB2 H 3.277 0.002 2 113 20 20 PHE HB3 H 3.537 0.02 2 114 20 20 PHE HE1 H 6.952 0.02 1 115 20 20 PHE HE2 H 6.952 0.02 1 116 20 20 PHE HZ H 7.020 0.02 1 117 20 20 PHE C C 177.752 0.3 1 118 20 20 PHE CA C 61.522 0.3 1 119 20 20 PHE CB C 38.664 0.3 1 120 20 20 PHE N N 122.060 0.031 1 121 21 21 GLY H H 9.255 0.02 1 122 21 21 GLY HA2 H 4.032 0.02 1 123 21 21 GLY C C 175.707 0.3 1 124 21 21 GLY CA C 47.162 0.3 1 125 21 21 GLY N N 105.670 0.3 1 126 22 22 GLU H H 8.385 0.02 1 127 22 22 GLU HA H 4.836 0.02 1 128 22 22 GLU HB2 H 2.204 0.02 2 129 22 22 GLU HB3 H 2.150 0.02 2 130 22 22 GLU HG2 H 2.454 0.02 2 131 22 22 GLU HG3 H 2.410 0.02 2 132 22 22 GLU C C 177.311 0.3 1 133 22 22 GLU CA C 59.087 0.3 1 134 22 22 GLU CB C 29.194 0.3 1 135 22 22 GLU N N 119.048 0.3 1 136 23 23 ARG H H 8.273 0.004 1 137 23 23 ARG HA H 4.345 0.02 1 138 23 23 ARG HB2 H 1.878 0.02 2 139 23 23 ARG HB3 H 1.864 0.02 2 140 23 23 ARG HG2 H 1.639 0.02 2 141 23 23 ARG HG3 H 1.610 0.02 2 142 23 23 ARG HD2 H 2.612 0.02 2 143 23 23 ARG HD3 H 2.630 0.02 2 144 23 23 ARG HE H 7.382 0.02 1 145 23 23 ARG C C 178.827 0.3 1 146 23 23 ARG CA C 58.412 0.3 1 147 23 23 ARG CB C 28.142 0.3 1 148 23 23 ARG N N 120.047 0.064 1 149 24 24 ILE H H 7.982 0.02 1 150 24 24 ILE HA H 3.975 0.02 1 151 24 24 ILE HB H 1.813 0.02 1 152 24 24 ILE HG12 H 1.308 0.02 2 153 24 24 ILE HG13 H 1.233 0.02 2 154 24 24 ILE HG2 H 0.790 0.02 1 155 24 24 ILE HD1 H 0.570 0.02 1 156 24 24 ILE C C 177.769 0.3 1 157 24 24 ILE CA C 63.800 0.3 1 158 24 24 ILE CB C 36.497 0.3 1 159 24 24 ILE CG1 C 27.225 0.3 1 160 24 24 ILE CG2 C 15.321 0.3 1 161 24 24 ILE CD1 C 10.365 0.009 1 162 24 24 ILE N N 119.154 0.3 1 163 25 25 ILE H H 8.154 0.003 1 164 25 25 ILE HA H 3.975 0.02 1 165 25 25 ILE HB H 1.935 0.02 1 166 25 25 ILE HG12 H 1.241 0.02 2 167 25 25 ILE HG13 H 1.314 0.02 2 168 25 25 ILE HG2 H 0.890 0.02 1 169 25 25 ILE HD1 H 0.814 0.02 1 170 25 25 ILE C C 175.178 0.3 1 171 25 25 ILE CA C 65.189 0.3 1 172 25 25 ILE CB C 36.470 0.3 1 173 25 25 ILE CG1 C 27.742 0.3 1 174 25 25 ILE CG2 C 15.233 0.3 1 175 25 25 ILE CD1 C 9.982 0.3 1 176 25 25 ILE N N 120.570 0.02 1 177 26 26 TYR H H 8.522 0.02 1 178 26 26 TYR HA H 4.246 0.02 1 179 26 26 TYR HB2 H 3.228 0.001 2 180 26 26 TYR HB3 H 3.055 0.02 2 181 26 26 TYR HD1 H 6.215 0.02 1 182 26 26 TYR HD2 H 6.215 0.02 1 183 26 26 TYR HE1 H 6.869 0.02 1 184 26 26 TYR HE2 H 6.869 0.02 1 185 26 26 TYR C C 178.019 0.3 1 186 26 26 TYR CA C 61.407 0.004 1 187 26 26 TYR CB C 37.652 0.007 1 188 26 26 TYR N N 119.957 0.3 1 189 27 27 HIS H H 8.296 0.016 1 190 27 27 HIS HA H 4.345 0.02 1 191 27 27 HIS HB2 H 3.389 0.001 2 192 27 27 HIS HB3 H 3.313 0.02 2 193 27 27 HIS C C 177.977 0.3 1 194 27 27 HIS CA C 59.559 0.049 1 195 27 27 HIS CB C 29.408 0.023 1 196 27 27 HIS N N 116.088 0.041 1 197 28 28 CYS H H 8.347 0.02 1 198 28 28 CYS HA H 4.193 0.004 1 199 28 28 CYS HB2 H 3.388 0.02 2 200 28 28 CYS HB3 H 3.301 0.02 2 201 28 28 CYS C C 174.886 0.3 1 202 28 28 CYS CA C 63.542 0.3 1 203 28 28 CYS CB C 27.166 0.034 1 204 28 28 CYS N N 116.704 0.3 1 205 29 29 LYS H H 7.989 0.02 1 206 29 29 LYS HA H 4.085 0.02 1 207 29 29 LYS HB2 H 1.924 0.008 2 208 29 29 LYS HB3 H 1.783 0.02 2 209 29 29 LYS HG2 H 1.439 0.009 2 210 29 29 LYS HG3 H 1.368 0.02 2 211 29 29 LYS HD2 H 1.089 0.02 2 212 29 29 LYS HD3 H 1.116 0.02 2 213 29 29 LYS HE2 H 2.679 0.02 1 214 29 29 LYS C C 177.620 0.3 1 215 29 29 LYS CA C 58.588 0.002 1 216 29 29 LYS CB C 31.860 0.009 1 217 29 29 LYS CG C 27.911 0.3 1 218 29 29 LYS CD C 30.735 0.3 1 219 29 29 LYS N N 115.402 0.3 1 220 30 30 LYS H H 7.543 0.02 1 221 30 30 LYS HA H 4.084 0.02 1 222 30 30 LYS HB2 H 1.907 0.02 2 223 30 30 LYS HB3 H 1.817 0.02 2 224 30 30 LYS HG2 H 1.404 0.011 2 225 30 30 LYS HG3 H 1.442 0.02 2 226 30 30 LYS C C 177.236 0.3 1 227 30 30 LYS CA C 56.948 0.3 1 228 30 30 LYS CB C 32.042 0.3 1 229 30 30 LYS CG C 26.978 0.3 1 230 30 30 LYS CD C 31.661 0.3 1 231 30 30 LYS CE C 40.270 0.3 1 232 30 30 LYS N N 116.057 0.3 1 233 31 31 GLN H H 7.669 0.02 1 234 31 31 GLN HA H 4.211 0.02 1 235 31 31 GLN HB2 H 2.318 0.02 2 236 31 31 GLN HB3 H 2.397 0.02 2 237 31 31 GLN C C 173.218 0.3 1 238 31 31 GLN CA C 53.788 0.3 1 239 31 31 GLN CB C 28.713 0.3 1 240 31 31 GLN CG C 34.967 0.3 1 241 31 31 GLN N N 116.371 0.3 1 242 32 32 PRO CA C 62.390 0.3 1 243 32 32 PRO CB C 34.164 0.3 1 244 33 33 LEU HD1 H 0.826 0.02 1 245 33 33 LEU CA C 54.362 0.3 1 246 33 33 LEU CB C 42.404 0.3 1 247 33 33 LEU CD1 C 20.762 0.3 1 248 34 34 VAL H H 7.874 0.02 1 249 34 34 VAL HA H 4.481 0.02 1 250 34 34 VAL HB H 2.111 0.02 1 251 34 34 VAL HG1 H 0.887 0.02 2 252 34 34 VAL HG2 H 0.840 0.02 2 253 34 34 VAL C C 175.647 0.3 1 254 34 34 VAL CA C 60.732 0.3 1 255 34 34 VAL CB C 32.844 0.3 1 256 34 34 VAL CG1 C 18.963 0.3 2 257 34 34 VAL CG2 C 17.832 0.3 2 258 34 34 VAL N N 118.804 0.3 1 259 35 35 PRO CA C 66.614 0.3 1 260 35 35 PRO CB C 32.424 0.3 1 261 36 36 ILE HG2 H 0.812 0.02 1 262 36 36 ILE HD1 H 0.781 0.02 1 263 36 36 ILE C C 177.594 0.3 1 264 36 36 ILE CA C 65.126 0.3 1 265 36 36 ILE CB C 36.824 0.3 1 266 36 36 ILE CG2 C 13.949 0.3 1 267 36 36 ILE CD1 C 10.532 0.021 1 268 37 37 GLY H H 8.924 0.02 1 269 37 37 GLY HA2 H 4.140 0.02 2 270 37 37 GLY HA3 H 4.179 0.02 2 271 37 37 GLY C C 176.756 0.3 1 272 37 37 GLY CA C 47.147 0.3 1 273 37 37 GLY N N 108.201 0.044 1 274 38 38 CYS H H 8.012 0.02 1 275 38 38 CYS HA H 4.830 0.02 1 276 38 38 CYS HB2 H 2.728 0.02 2 277 38 38 CYS HB3 H 2.881 0.02 2 278 38 38 CYS C C 175.545 0.3 1 279 38 38 CYS CA C 60.130 0.3 1 280 38 38 CYS CB C 25.446 0.3 1 281 38 38 CYS N N 118.952 0.3 1 282 39 39 LEU H H 8.141 0.015 1 283 39 39 LEU HA H 4.260 0.02 1 284 39 39 LEU HB2 H 1.917 0.02 2 285 39 39 LEU HB3 H 1.887 0.02 2 286 39 39 LEU HG H 1.547 0.02 1 287 39 39 LEU HD1 H 0.884 0.02 1 288 39 39 LEU C C 177.093 0.3 1 289 39 39 LEU CA C 59.027 0.3 1 290 39 39 LEU CB C 40.992 0.3 1 291 39 39 LEU CG C 28.524 0.3 1 292 39 39 LEU CD1 C 22.516 0.3 1 293 39 39 LEU N N 120.261 0.087 1 294 40 40 LEU H H 8.246 0.02 1 295 40 40 LEU HA H 4.390 0.02 1 296 40 40 LEU HB2 H 1.664 0.02 2 297 40 40 LEU HB3 H 1.677 0.02 2 298 40 40 LEU HG H 1.879 0.02 1 299 40 40 LEU HD1 H 0.805 0.02 2 300 40 40 LEU HD2 H 0.874 0.02 2 301 40 40 LEU C C 181.708 0.3 1 302 40 40 LEU CA C 59.214 0.3 1 303 40 40 LEU CB C 41.789 0.3 1 304 40 40 LEU CG C 25.251 0.3 1 305 40 40 LEU CD1 C 21.394 0.3 2 306 40 40 LEU CD2 C 22.349 0.3 2 307 40 40 LEU N N 120.851 0.3 1 308 41 41 THR H H 8.192 0.02 1 309 41 41 THR HA H 4.498 0.02 1 310 41 41 THR HB H 4.252 0.02 1 311 41 41 THR HG2 H 1.239 0.02 1 312 41 41 THR C C 176.693 0.3 1 313 41 41 THR CA C 64.667 0.3 1 314 41 41 THR CB C 67.454 0.3 1 315 41 41 THR CG2 C 19.405 0.3 1 316 41 41 THR N N 115.268 0.3 1 317 42 42 THR H H 8.028 0.02 1 318 42 42 THR HA H 4.466 0.02 1 319 42 42 THR HB H 3.966 0.02 1 320 42 42 THR HG2 H 1.172 0.02 1 321 42 42 THR C C 177.840 0.3 1 322 42 42 THR CA C 64.590 0.3 1 323 42 42 THR CB C 67.609 0.3 1 324 42 42 THR CG2 C 19.291 0.3 1 325 42 42 THR N N 112.792 0.3 1 326 43 43 GLY H H 8.544 0.02 1 327 43 43 GLY HA2 H 3.773 0.02 2 328 43 43 GLY HA3 H 3.811 0.02 2 329 43 43 GLY C C 174.258 0.3 1 330 43 43 GLY CA C 47.334 0.3 1 331 43 43 GLY N N 107.114 0.062 1 332 44 44 ALA H H 8.359 0.001 1 333 44 44 ALA HA H 4.151 0.001 1 334 44 44 ALA HB H 1.457 0.02 1 335 44 44 ALA C C 179.206 0.3 1 336 44 44 ALA CA C 53.678 0.013 1 337 44 44 ALA CB C 15.661 0.3 1 338 44 44 ALA N N 122.570 0.015 1 339 45 45 VAL H H 8.107 0.02 1 340 45 45 VAL HA H 4.266 0.02 1 341 45 45 VAL HB H 1.993 0.02 1 342 45 45 VAL HG1 H 0.948 0.02 2 343 45 45 VAL HG2 H 0.985 0.02 2 344 45 45 VAL C C 178.349 0.3 1 345 45 45 VAL CA C 65.076 0.3 1 346 45 45 VAL CB C 31.511 0.3 1 347 45 45 VAL CG1 C 19.003 0.3 2 348 45 45 VAL CG2 C 20.691 0.3 2 349 45 45 VAL N N 117.746 0.3 1 350 46 46 ILE H H 8.225 0.02 1 351 46 46 ILE HG12 H 1.210 0.02 2 352 46 46 ILE HG13 H 1.323 0.02 2 353 46 46 ILE HG2 H 0.764 0.02 1 354 46 46 ILE HD1 H 0.833 0.02 1 355 46 46 ILE C C 179.447 0.3 1 356 46 46 ILE CA C 65.117 0.3 1 357 46 46 ILE CB C 36.493 0.3 1 358 46 46 ILE CG1 C 27.536 0.3 1 359 46 46 ILE CG2 C 13.720 0.3 1 360 46 46 ILE CD1 C 10.530 0.3 1 361 46 46 ILE N N 118.757 0.3 1 362 47 47 LEU H H 8.154 0.002 1 363 47 47 LEU HA H 4.344 0.02 1 364 47 47 LEU HB2 H 1.800 0.02 2 365 47 47 LEU HB3 H 1.841 0.02 2 366 47 47 LEU HG H 1.924 0.02 1 367 47 47 LEU HD1 H 0.868 0.02 2 368 47 47 LEU HD2 H 0.765 0.02 2 369 47 47 LEU C C 178.415 0.3 1 370 47 47 LEU CA C 57.730 0.3 1 371 47 47 LEU CB C 41.109 0.01 1 372 47 47 LEU CG C 27.614 0.3 1 373 47 47 LEU CD1 C 21.881 0.3 2 374 47 47 LEU CD2 C 21.415 0.3 2 375 47 47 LEU N N 120.595 0.0 1 376 48 48 ALA H H 8.087 0.002 1 377 48 48 ALA HA H 4.393 0.023 1 378 48 48 ALA HB H 1.442 0.02 1 379 48 48 ALA C C 179.112 0.3 1 380 48 48 ALA CA C 53.723 0.3 1 381 48 48 ALA CB C 16.102 0.3 1 382 48 48 ALA N N 121.238 0.3 1 383 49 49 ALA H H 8.210 0.073 1 384 49 49 ALA HA H 4.344 0.02 1 385 49 49 ALA HB H 1.449 0.02 1 386 49 49 ALA C C 178.894 0.3 1 387 49 49 ALA CA C 53.798 0.3 1 388 49 49 ALA CB C 17.252 0.3 1 389 49 49 ALA N N 122.706 0.3 1 390 50 50 GLN H H 8.256 0.077 1 391 50 50 GLN HA H 4.194 0.02 1 392 50 50 GLN HB2 H 2.264 0.003 2 393 50 50 GLN HB3 H 2.132 0.02 2 394 50 50 GLN HG2 H 2.479 0.02 2 395 50 50 GLN HG3 H 2.342 0.02 2 396 50 50 GLN C C 176.234 0.3 1 397 50 50 GLN CA C 59.133 0.077 1 398 50 50 GLN CB C 29.472 0.3 1 399 50 50 GLN CG C 34.891 0.3 1 400 50 50 GLN N N 118.868 0.3 1 401 51 51 ASN H H 8.116 0.052 1 402 51 51 ASN HA H 4.809 0.02 1 403 51 51 ASN HB2 H 2.741 0.02 2 404 51 51 ASN HB3 H 2.787 0.02 2 405 51 51 ASN C C 175.755 0.3 1 406 51 51 ASN CA C 54.563 0.067 1 407 51 51 ASN CB C 39.161 0.032 1 408 51 51 ASN N N 116.738 0.055 1 409 52 52 VAL H H 8.030 0.02 1 410 52 52 VAL HA H 4.364 0.005 1 411 52 52 VAL HB H 2.318 0.001 1 412 52 52 VAL HG1 H 1.089 0.003 2 413 52 52 VAL HG2 H 0.902 0.019 2 414 52 52 VAL C C 178.300 0.3 1 415 52 52 VAL CA C 64.657 0.3 1 416 52 52 VAL CB C 31.459 0.3 1 417 52 52 VAL CG1 C 18.988 0.036 2 418 52 52 VAL CG2 C 18.524 0.3 2 419 52 52 VAL N N 119.268 0.3 1 420 53 53 ARG H H 8.379 0.02 1 421 53 53 ARG HA H 4.520 0.02 1 422 53 53 ARG HB2 H 1.590 0.02 2 423 53 53 ARG HB3 H 1.631 0.02 2 424 53 53 ARG HG2 H 1.375 0.02 2 425 53 53 ARG HG3 H 1.388 0.02 2 426 53 53 ARG HD2 H 3.191 0.02 2 427 53 53 ARG HD3 H 3.256 0.02 2 428 53 53 ARG C C 177.133 0.3 1 429 53 53 ARG CA C 57.333 0.3 1 430 53 53 ARG CB C 29.641 0.3 1 431 53 53 ARG CG C 28.620 0.3 1 432 53 53 ARG CD C 44.878 0.3 1 433 53 53 ARG N N 116.095 0.3 1 434 54 54 LEU H H 8.345 0.02 1 435 54 54 LEU HA H 4.466 0.02 1 436 54 54 LEU HB2 H 1.842 0.02 1 437 54 54 LEU HG H 1.715 0.02 1 438 54 54 LEU HD1 H 0.759 0.02 2 439 54 54 LEU HD2 H 0.910 0.02 2 440 54 54 LEU C C 177.967 0.3 1 441 54 54 LEU CA C 57.885 0.3 1 442 54 54 LEU CB C 41.873 0.3 1 443 54 54 LEU CD1 C 20.856 0.3 2 444 54 54 LEU CD2 C 22.378 0.3 2 445 54 54 LEU N N 120.773 0.3 1 446 55 55 GLY H H 8.431 0.02 1 447 55 55 GLY HA2 H 4.073 0.005 2 448 55 55 GLY HA3 H 4.113 0.02 2 449 55 55 GLY C C 174.641 0.3 1 450 55 55 GLY CA C 46.194 0.3 1 451 55 55 GLY N N 107.601 0.011 1 452 56 56 ASN H H 8.246 0.02 1 453 56 56 ASN HA H 4.525 0.02 1 454 56 56 ASN HB2 H 3.049 0.02 2 455 56 56 ASN HB3 H 3.005 0.02 2 456 56 56 ASN C C 176.366 0.3 1 457 56 56 ASN CA C 54.323 0.3 1 458 56 56 ASN CB C 38.394 0.3 1 459 56 56 ASN N N 116.514 0.3 1 460 57 57 LYS H H 7.935 0.02 1 461 57 57 LYS HA H 4.614 0.02 1 462 57 57 LYS HB2 H 1.582 0.02 1 463 57 57 LYS HG2 H 1.089 0.02 2 464 57 57 LYS HG3 H 1.194 0.02 2 465 57 57 LYS HD2 H 1.315 0.02 2 466 57 57 LYS HD3 H 1.477 0.02 2 467 57 57 LYS HE2 H 2.455 0.02 1 468 57 57 LYS C C 177.048 0.3 1 469 57 57 LYS CA C 57.420 0.3 1 470 57 57 LYS CB C 31.659 0.3 1 471 57 57 LYS CG C 27.769 0.3 1 472 57 57 LYS CD C 30.246 0.3 1 473 57 57 LYS CE C 40.465 0.3 1 474 57 57 LYS N N 118.524 0.3 1 475 58 58 TRP H H 8.000 0.009 1 476 58 58 TRP HA H 4.336 0.02 1 477 58 58 TRP HB2 H 3.396 0.02 2 478 58 58 TRP HB3 H 3.450 0.02 2 479 58 58 TRP HZ2 H 7.430 0.004 1 480 58 58 TRP C C 175.545 0.3 1 481 58 58 TRP CA C 57.652 0.3 1 482 58 58 TRP CB C 27.846 0.3 1 483 58 58 TRP CH2 C 124.299 0.07 1 484 58 58 TRP N N 119.589 0.009 1 485 59 59 LYS H H 7.849 0.009 1 486 59 59 LYS HA H 4.263 0.02 1 487 59 59 LYS HB2 H 1.647 0.02 2 488 59 59 LYS HB3 H 1.841 0.02 2 489 59 59 LYS HG2 H 1.414 0.003 2 490 59 59 LYS HG3 H 1.469 0.02 2 491 59 59 LYS HD2 H 1.656 0.02 1 492 59 59 LYS C C 177.611 0.3 1 493 59 59 LYS CA C 57.188 0.3 1 494 59 59 LYS CB C 32.569 0.3 1 495 59 59 LYS CG C 27.846 0.3 1 496 59 59 LYS N N 120.292 0.018 1 497 60 60 ALA H H 8.085 0.01 1 498 60 60 ALA HA H 4.269 0.004 1 499 60 60 ALA HB H 1.336 0.02 1 500 60 60 ALA C C 177.381 0.3 1 501 60 60 ALA CA C 52.775 0.3 1 502 60 60 ALA CB C 16.552 0.3 1 503 60 60 ALA N N 122.072 0.031 1 504 61 61 GLN H H 8.299 0.02 1 505 61 61 GLN HA H 4.278 0.02 1 506 61 61 GLN HB2 H 2.103 0.001 2 507 61 61 GLN HB3 H 2.164 0.02 2 508 61 61 GLN HG2 H 2.377 0.02 2 509 61 61 GLN HG3 H 2.374 0.02 2 510 61 61 GLN C C 177.381 0.3 1 511 61 61 GLN CA C 56.414 0.3 1 512 61 61 GLN CB C 30.014 0.3 1 513 61 61 GLN CG C 34.194 0.3 1 514 61 61 GLN N N 116.584 0.3 1 515 62 62 TYR H H 7.952 0.015 1 516 62 62 TYR HA H 4.566 0.02 1 517 62 62 TYR HB2 H 3.031 0.003 2 518 62 62 TYR HB3 H 3.126 0.02 2 519 62 62 TYR HD1 H 7.024 0.02 1 520 62 62 TYR HD2 H 7.024 0.02 1 521 62 62 TYR C C 175.775 0.3 1 522 62 62 TYR CA C 58.194 0.3 1 523 62 62 TYR CB C 39.262 0.3 1 524 62 62 TYR N N 118.543 0.026 1 525 63 63 TYR H H 7.884 0.02 1 526 63 63 TYR HA H 4.508 0.002 1 527 63 63 TYR HB2 H 3.160 0.02 2 528 63 63 TYR HB3 H 2.924 0.02 2 529 63 63 TYR HD1 H 7.092 0.0 1 530 63 63 TYR HD2 H 7.092 0.0 1 531 63 63 TYR C C 174.856 0.3 1 532 63 63 TYR CA C 58.454 0.3 1 533 63 63 TYR CB C 39.262 0.3 1 534 63 63 TYR N N 117.746 0.3 1 535 64 64 PHE H H 8.100 0.02 1 536 64 64 PHE HA H 4.347 0.02 1 537 64 64 PHE HB2 H 3.179 0.02 1 538 64 64 PHE HD1 H 7.391 0.02 1 539 64 64 PHE HD2 H 7.391 0.02 1 540 64 64 PHE C C 177.840 0.3 1 541 64 64 PHE CA C 59.469 0.3 1 542 64 64 PHE CB C 38.749 0.3 1 543 64 64 PHE N N 118.317 0.3 1 544 65 65 ARG H H 8.781 0.001 1 545 65 65 ARG HA H 4.113 0.02 1 546 65 65 ARG HB2 H 1.906 0.02 2 547 65 65 ARG HB3 H 1.970 0.02 2 548 65 65 ARG HG2 H 1.736 0.02 2 549 65 65 ARG HG3 H 1.817 0.02 2 550 65 65 ARG HD2 H 3.207 0.02 2 551 65 65 ARG HD3 H 3.240 0.02 2 552 65 65 ARG C C 178.492 0.3 1 553 65 65 ARG CA C 59.656 0.3 1 554 65 65 ARG CB C 28.252 0.3 1 555 65 65 ARG CG C 27.447 0.3 1 556 65 65 ARG CD C 44.228 0.3 1 557 65 65 ARG N N 118.922 0.044 1 558 66 66 TRP H H 8.332 0.02 1 559 66 66 TRP HA H 4.420 0.02 1 560 66 66 TRP HB2 H 3.474 0.02 2 561 66 66 TRP HB3 H 3.830 0.02 2 562 66 66 TRP C C 179.587 0.3 1 563 66 66 TRP CA C 59.732 0.3 1 564 66 66 TRP CB C 30.246 0.3 1 565 66 66 TRP CH2 C 123.357 0.051 1 566 66 66 TRP N N 118.463 0.3 1 567 67 67 ARG H H 7.874 0.013 1 568 67 67 ARG HA H 4.000 0.02 1 569 67 67 ARG HB2 H 2.237 0.02 2 570 67 67 ARG HB3 H 2.302 0.02 2 571 67 67 ARG HG2 H 1.841 0.02 2 572 67 67 ARG HG3 H 1.906 0.02 2 573 67 67 ARG HD2 H 3.482 0.02 2 574 67 67 ARG HD3 H 3.486 0.02 2 575 67 67 ARG C C 177.405 0.3 1 576 67 67 ARG CA C 58.673 0.3 1 577 67 67 ARG CB C 31.043 0.3 1 578 67 67 ARG CG C 27.103 0.3 1 579 67 67 ARG CD C 44.056 0.3 1 580 67 67 ARG N N 119.574 0.3 1 581 68 68 VAL H H 7.997 0.002 1 582 68 68 VAL HA H 4.606 0.02 1 583 68 68 VAL HB H 2.074 0.02 1 584 68 68 VAL HG1 H 0.945 0.02 2 585 68 68 VAL HG2 H 0.858 0.02 2 586 68 68 VAL C C 177.932 0.3 1 587 68 68 VAL CA C 64.633 0.3 1 588 68 68 VAL CB C 32.327 0.3 1 589 68 68 VAL CG1 C 18.835 0.3 2 590 68 68 VAL CG2 C 19.748 0.3 2 591 68 68 VAL N N 118.033 0.002 1 592 69 69 GLY H H 8.342 0.02 1 593 69 69 GLY HA2 H 3.904 0.02 2 594 69 69 GLY HA3 H 3.957 0.02 2 595 69 69 GLY C C 174.734 0.3 1 596 69 69 GLY CA C 46.789 0.3 1 597 69 69 GLY N N 108.015 0.3 1 598 70 70 LEU H H 8.169 0.02 1 599 70 70 LEU HA H 4.018 0.02 1 600 70 70 LEU HB2 H 1.623 0.02 2 601 70 70 LEU HB3 H 2.039 0.02 2 602 70 70 LEU HG H 2.089 0.02 1 603 70 70 LEU HD1 H 0.743 0.02 2 604 70 70 LEU HD2 H 0.780 0.02 2 605 70 70 LEU C C 178.985 0.3 1 606 70 70 LEU CA C 58.772 0.3 1 607 70 70 LEU CB C 40.388 0.3 1 608 70 70 LEU CG C 28.216 0.3 1 609 70 70 LEU CD1 C 21.131 0.3 2 610 70 70 LEU CD2 C 22.887 0.3 2 611 70 70 LEU N N 121.985 0.3 1 612 71 71 GLN H H 8.303 0.02 1 613 71 71 GLN HB2 H 1.812 0.02 2 614 71 71 GLN HB3 H 1.852 0.02 2 615 71 71 GLN HG2 H 2.229 0.02 2 616 71 71 GLN HG3 H 2.231 0.02 2 617 71 71 GLN C C 177.981 0.3 1 618 71 71 GLN CA C 58.982 0.3 1 619 71 71 GLN CB C 28.144 0.3 1 620 71 71 GLN CG C 34.124 0.3 1 621 71 71 GLN N N 120.661 0.3 1 622 72 72 ALA H H 8.688 0.002 1 623 72 72 ALA HA H 4.177 0.02 1 624 72 72 ALA HB H 1.356 0.02 1 625 72 72 ALA C C 178.810 0.3 1 626 72 72 ALA CA C 55.082 0.012 1 627 72 72 ALA CB C 16.839 0.3 1 628 72 72 ALA N N 121.348 0.019 1 629 73 73 ALA H H 8.511 0.013 1 630 73 73 ALA HA H 4.052 0.02 1 631 73 73 ALA HB H 1.421 0.02 1 632 73 73 ALA C C 179.071 0.3 1 633 73 73 ALA CA C 55.084 0.009 1 634 73 73 ALA CB C 15.500 0.3 1 635 73 73 ALA N N 118.192 0.034 1 636 74 74 THR H H 8.006 0.004 1 637 74 74 THR HA H 4.441 0.004 1 638 74 74 THR HB H 3.942 0.02 1 639 74 74 THR HG2 H 1.160 0.02 1 640 74 74 THR C C 176.024 0.3 1 641 74 74 THR CA C 66.912 0.03 1 642 74 74 THR CB C 67.984 0.001 1 643 74 74 THR CG2 C 19.152 0.3 1 644 74 74 THR N N 112.770 0.019 1 645 75 75 LEU H H 7.914 0.02 1 646 75 75 LEU HA H 4.226 0.02 1 647 75 75 LEU HB2 H 1.906 0.004 2 648 75 75 LEU HB3 H 1.874 0.02 2 649 75 75 LEU HG H 2.014 0.007 1 650 75 75 LEU HD1 H 0.836 0.02 2 651 75 75 LEU HD2 H 0.845 0.02 2 652 75 75 LEU C C 178.693 0.3 1 653 75 75 LEU CA C 58.185 0.008 1 654 75 75 LEU CB C 40.874 0.005 1 655 75 75 LEU CG C 26.076 0.3 1 656 75 75 LEU CD1 C 21.905 0.3 2 657 75 75 LEU CD2 C 22.808 0.3 2 658 75 75 LEU N N 121.189 0.3 1 659 76 76 VAL H H 8.260 0.015 1 660 76 76 VAL HA H 4.590 0.02 1 661 76 76 VAL HB H 2.342 0.0 1 662 76 76 VAL HG1 H 0.838 0.02 2 663 76 76 VAL HG2 H 1.019 0.02 2 664 76 76 VAL C C 177.478 0.3 1 665 76 76 VAL CA C 66.805 0.3 1 666 76 76 VAL CB C 30.404 0.3 1 667 76 76 VAL CG1 C 19.058 0.3 2 668 76 76 VAL CG2 C 20.602 0.3 2 669 76 76 VAL N N 117.351 0.046 1 670 77 77 ALA H H 8.294 0.02 1 671 77 77 ALA HA H 4.481 0.02 1 672 77 77 ALA HB H 1.434 0.02 1 673 77 77 ALA C C 179.858 0.3 1 674 77 77 ALA CA C 55.262 0.3 1 675 77 77 ALA CB C 15.578 0.3 1 676 77 77 ALA N N 121.707 0.3 1 677 78 78 LEU H H 8.336 0.007 1 678 78 78 LEU HA H 3.842 0.02 1 679 78 78 LEU HB2 H 1.788 0.02 2 680 78 78 LEU HB3 H 1.714 0.02 2 681 78 78 LEU HG H 1.542 0.02 1 682 78 78 LEU HD1 H 0.792 0.02 2 683 78 78 LEU HD2 H 0.810 0.02 2 684 78 78 LEU C C 176.461 0.3 1 685 78 78 LEU CA C 57.834 0.3 1 686 78 78 LEU CB C 41.358 0.3 1 687 78 78 LEU CG C 26.161 0.3 1 688 78 78 LEU CD1 C 21.556 0.3 2 689 78 78 LEU CD2 C 22.734 0.3 2 690 78 78 LEU N N 120.404 0.02 1 691 79 79 VAL H H 8.430 0.02 1 692 79 79 VAL HA H 4.254 0.02 1 693 79 79 VAL HB H 2.119 0.02 1 694 79 79 VAL HG1 H 0.921 0.02 2 695 79 79 VAL HG2 H 1.038 0.02 2 696 79 79 VAL C C 178.230 0.3 1 697 79 79 VAL CA C 66.250 0.027 1 698 79 79 VAL CB C 30.960 0.016 1 699 79 79 VAL CG1 C 19.350 0.3 2 700 79 79 VAL CG2 C 20.371 0.3 2 701 79 79 VAL N N 119.248 0.3 1 702 80 80 ALA H H 9.001 0.005 1 703 80 80 ALA HA H 4.262 0.002 1 704 80 80 ALA HB H 1.416 0.02 1 705 80 80 ALA C C 179.914 0.3 1 706 80 80 ALA CA C 55.127 0.013 1 707 80 80 ALA CB C 15.824 0.3 1 708 80 80 ALA N N 121.523 0.3 1 709 81 81 GLY H H 8.889 0.015 1 710 81 81 GLY HA2 H 3.954 0.0 2 711 81 81 GLY HA3 H 4.005 0.02 2 712 81 81 GLY C C 175.380 0.3 1 713 81 81 GLY CA C 47.147 0.009 1 714 81 81 GLY N N 104.354 0.039 1 715 82 82 SER H H 8.189 0.016 1 716 82 82 SER HA H 4.414 0.02 1 717 82 82 SER HB2 H 4.007 0.02 2 718 82 82 SER HB3 H 3.971 0.02 2 719 82 82 SER HG H 4.268 0.02 1 720 82 82 SER C C 176.030 0.3 1 721 82 82 SER CA C 61.796 0.036 1 722 82 82 SER CB C 62.705 0.01 1 723 82 82 SER N N 116.803 0.047 1 724 83 83 PHE H H 8.091 0.02 1 725 83 83 PHE HA H 4.587 0.004 1 726 83 83 PHE HB2 H 3.328 0.005 2 727 83 83 PHE HB3 H 3.278 0.02 2 728 83 83 PHE HD1 H 7.323 0.02 1 729 83 83 PHE HD2 H 7.323 0.02 1 730 83 83 PHE HE1 H 7.469 0.02 1 731 83 83 PHE HE2 H 7.469 0.02 1 732 83 83 PHE HZ H 7.187 0.02 1 733 83 83 PHE C C 177.124 0.3 1 734 83 83 PHE CA C 60.345 0.032 1 735 83 83 PHE CB C 39.260 0.003 1 736 83 83 PHE N N 119.787 0.3 1 737 84 84 ILE H H 8.228 0.008 1 738 84 84 ILE HA H 3.727 0.02 1 739 84 84 ILE HB H 2.094 0.02 1 740 84 84 ILE HG12 H 1.503 0.02 2 741 84 84 ILE HG13 H 1.357 0.02 2 742 84 84 ILE HG2 H 0.835 0.02 1 743 84 84 ILE HD1 H 0.752 0.02 1 744 84 84 ILE C C 177.180 0.3 1 745 84 84 ILE CA C 64.433 0.3 1 746 84 84 ILE CB C 37.816 0.3 1 747 84 84 ILE CG1 C 30.956 0.3 1 748 84 84 ILE CG2 C 15.070 0.3 1 749 84 84 ILE CD1 C 11.182 0.3 1 750 84 84 ILE N N 117.568 0.035 1 751 85 85 TYR H H 8.319 0.005 1 752 85 85 TYR HA H 4.251 0.02 1 753 85 85 TYR HB2 H 3.110 0.02 2 754 85 85 TYR HB3 H 3.229 0.02 2 755 85 85 TYR HD1 H 7.098 0.02 1 756 85 85 TYR HD2 H 7.098 0.02 1 757 85 85 TYR HE1 H 6.864 0.02 1 758 85 85 TYR HE2 H 6.864 0.02 1 759 85 85 TYR C C 176.984 0.3 1 760 85 85 TYR CA C 59.375 0.007 1 761 85 85 TYR CB C 38.419 0.016 1 762 85 85 TYR N N 117.515 0.3 1 763 86 86 GLY H H 8.011 0.02 1 764 86 86 GLY HA2 H 4.141 0.009 2 765 86 86 GLY HA3 H 4.215 0.02 2 766 86 86 GLY C C 174.462 0.3 1 767 86 86 GLY CA C 45.689 0.003 1 768 86 86 GLY N N 107.292 0.3 1 769 87 87 THR H H 7.983 0.002 1 770 87 87 THR HA H 4.328 0.02 1 771 87 87 THR HB H 4.155 0.02 1 772 87 87 THR HG2 H 1.128 0.02 1 773 87 87 THR C C 174.752 0.3 1 774 87 87 THR CA C 61.905 0.027 1 775 87 87 THR CB C 69.419 0.007 1 776 87 87 THR CG2 C 19.200 0.3 1 777 87 87 THR N N 112.504 0.3 1 778 88 88 SER H H 8.385 0.008 1 779 88 88 SER HA H 4.554 0.003 1 780 88 88 SER HB2 H 4.083 0.02 2 781 88 88 SER HB3 H 4.109 0.02 2 782 88 88 SER HG H 4.332 0.006 1 783 88 88 SER C C 175.416 0.3 1 784 88 88 SER CA C 58.499 0.004 1 785 88 88 SER CB C 63.898 0.003 1 786 88 88 SER N N 117.530 0.016 1 787 89 89 GLY H H 8.828 0.02 1 788 89 89 GLY HA2 H 4.035 0.01 2 789 89 89 GLY HA3 H 4.065 0.02 2 790 89 89 GLY C C 175.229 0.3 1 791 89 89 GLY CA C 46.220 0.007 1 792 89 89 GLY N N 110.559 0.3 1 793 90 90 LYS H H 8.407 0.02 1 794 90 90 LYS HA H 4.270 0.002 1 795 90 90 LYS HB2 H 2.005 0.003 2 796 90 90 LYS HB3 H 2.103 0.02 2 797 90 90 LYS HG2 H 1.657 0.02 2 798 90 90 LYS HG3 H 1.636 0.02 2 799 90 90 LYS HD2 H 1.798 0.02 2 800 90 90 LYS HD3 H 1.836 0.02 2 801 90 90 LYS HE2 H 2.870 0.02 2 802 90 90 LYS HE3 H 2.921 0.02 2 803 90 90 LYS C C 178.206 0.3 1 804 90 90 LYS CA C 58.062 0.013 1 805 90 90 LYS CB C 31.913 0.009 1 806 90 90 LYS CG C 25.476 0.3 1 807 90 90 LYS CD C 29.672 0.3 1 808 90 90 LYS CE C 42.514 0.3 1 809 90 90 LYS N N 118.650 0.3 1 810 91 91 GLU H H 8.397 0.004 1 811 91 91 GLU HA H 4.388 0.02 1 812 91 91 GLU HB2 H 2.248 0.009 2 813 91 91 GLU HB3 H 2.123 0.02 2 814 91 91 GLU HG2 H 1.636 0.02 2 815 91 91 GLU HG3 H 2.515 0.02 2 816 91 91 GLU C C 178.098 0.3 1 817 91 91 GLU CA C 57.791 0.039 1 818 91 91 GLU CB C 28.832 0.013 1 819 91 91 GLU CG C 36.864 0.3 1 820 91 91 GLU N N 120.082 0.053 1 821 92 92 LEU H H 8.190 0.013 1 822 92 92 LEU HA H 4.266 0.004 1 823 92 92 LEU HB2 H 1.443 0.02 2 824 92 92 LEU HB3 H 1.552 0.02 2 825 92 92 LEU HG H 1.858 0.02 1 826 92 92 LEU HD1 H 0.820 0.02 2 827 92 92 LEU HD2 H 0.783 0.02 2 828 92 92 LEU C C 178.314 0.3 1 829 92 92 LEU CA C 56.901 0.011 1 830 92 92 LEU CB C 41.058 0.007 1 831 92 92 LEU CG C 28.045 0.3 1 832 92 92 LEU CD1 C 20.996 0.3 2 833 92 92 LEU CD2 C 22.568 0.3 2 834 92 92 LEU N N 121.267 0.066 1 835 93 93 LYS HA H 4.232 0.02 1 836 93 93 LYS HB2 H 1.580 0.02 2 837 93 93 LYS HB3 H 1.680 0.02 2 838 93 93 LYS HG2 H 1.252 0.02 2 839 93 93 LYS HG3 H 1.358 0.02 2 840 93 93 LYS HE2 H 3.004 0.02 2 841 93 93 LYS HE3 H 2.999 0.02 2 842 93 93 LYS HZ H 7.738 0.02 1 843 93 93 LYS C C 178.031 0.3 1 844 93 93 LYS CA C 58.053 0.003 1 845 93 93 LYS CB C 31.547 0.032 1 846 93 93 LYS CG C 26.932 0.3 1 847 93 93 LYS CD C 31.127 0.3 1 848 93 93 LYS CE C 41.573 0.3 1 849 93 93 LYS N N 119.600 0.012 1 850 94 94 ALA H H 8.278 0.02 1 851 94 94 ALA HA H 4.397 0.02 1 852 94 94 ALA HB H 1.471 0.02 1 853 94 94 ALA C C 180.056 0.3 1 854 94 94 ALA CA C 53.952 0.024 1 855 94 94 ALA CB C 15.811 0.3 1 856 94 94 ALA N N 122.337 0.3 1 857 95 95 LYS H H 8.045 0.02 1 858 95 95 LYS HA H 4.239 0.02 1 859 95 95 LYS HB2 H 1.736 0.02 2 860 95 95 LYS HB3 H 1.842 0.02 2 861 95 95 LYS HG2 H 1.374 0.02 2 862 95 95 LYS HG3 H 1.308 0.02 2 863 95 95 LYS HD2 H 1.602 0.02 2 864 95 95 LYS HD3 H 1.691 0.02 2 865 95 95 LYS HE2 H 3.110 0.02 2 866 95 95 LYS HE3 H 3.194 0.02 2 867 95 95 LYS C C 178.349 0.3 1 868 95 95 LYS CA C 57.566 0.018 1 869 95 95 LYS CB C 31.491 0.004 1 870 95 95 LYS CG C 24.449 0.3 1 871 95 95 LYS CD C 31.641 0.3 1 872 95 95 LYS CE C 41.744 0.3 1 873 95 95 LYS N N 118.261 0.3 1 874 96 96 GLU H H 8.526 0.026 1 875 96 96 GLU HA H 4.051 0.02 1 876 96 96 GLU HB2 H 2.039 0.02 2 877 96 96 GLU HB3 H 2.064 0.02 2 878 96 96 GLU HG2 H 2.343 0.02 2 879 96 96 GLU HG3 H 2.459 0.02 2 880 96 96 GLU C C 177.925 0.3 1 881 96 96 GLU CA C 59.031 0.005 1 882 96 96 GLU CB C 28.046 0.021 1 883 96 96 GLU CG C 37.035 0.3 1 884 96 96 GLU N N 120.023 0.058 1 885 97 97 GLU H H 8.373 0.014 1 886 97 97 GLU HA H 4.221 0.02 1 887 97 97 GLU HB2 H 2.249 0.02 2 888 97 97 GLU HB3 H 2.348 0.02 2 889 97 97 GLU HG2 H 2.516 0.02 2 890 97 97 GLU HG3 H 2.570 0.02 2 891 97 97 GLU C C 178.761 0.3 1 892 97 97 GLU CA C 58.546 0.027 1 893 97 97 GLU CB C 28.701 0.048 1 894 97 97 GLU CG C 38.062 0.3 1 895 97 97 GLU N N 118.712 0.3 1 896 98 98 GLN H H 8.083 0.02 1 897 98 98 GLN HA H 4.409 0.02 1 898 98 98 GLN HB2 H 2.020 0.02 2 899 98 98 GLN HB3 H 2.209 0.02 2 900 98 98 GLN HG2 H 2.309 0.02 2 901 98 98 GLN HG3 H 2.281 0.02 2 902 98 98 GLN C C 178.437 0.3 1 903 98 98 GLN CA C 57.929 0.3 1 904 98 98 GLN CB C 28.243 0.3 1 905 98 98 GLN CG C 35.751 0.3 1 906 98 98 GLN N N 119.180 0.3 1 907 99 99 LEU H H 8.245 0.02 1 908 99 99 LEU HA H 3.994 0.02 1 909 99 99 LEU HB3 H 1.573 0.02 1 910 99 99 LEU HG H 1.523 0.02 1 911 99 99 LEU HD1 H 0.854 0.02 2 912 99 99 LEU HD2 H 0.872 0.02 2 913 99 99 LEU C C 177.862 0.3 1 914 99 99 LEU CA C 57.669 0.3 1 915 99 99 LEU CB C 41.411 0.017 1 916 99 99 LEU CG C 25.048 0.3 1 917 99 99 LEU CD1 C 23.094 0.3 2 918 99 99 LEU CD2 C 21.370 0.3 2 919 99 99 LEU N N 119.329 0.033 1 920 100 100 LYS H H 8.281 0.001 1 921 100 100 LYS HA H 3.999 0.02 1 922 100 100 LYS HB2 H 1.440 0.02 2 923 100 100 LYS HB3 H 1.551 0.02 2 924 100 100 LYS HG2 H 1.266 0.02 2 925 100 100 LYS HG3 H 1.366 0.02 2 926 100 100 LYS HD2 H 1.678 0.02 2 927 100 100 LYS HD3 H 1.728 0.02 2 928 100 100 LYS HE2 H 3.442 0.02 2 929 100 100 LYS HE3 H 3.352 0.02 2 930 100 100 LYS HZ H 7.617 0.02 1 931 100 100 LYS C C 176.822 0.3 1 932 100 100 LYS CA C 59.296 0.3 1 933 100 100 LYS CB C 32.583 0.3 1 934 100 100 LYS N N 119.867 0.3 1 935 101 101 GLU H H 8.238 0.022 1 936 101 101 GLU HA H 4.385 0.02 1 937 101 101 GLU HB2 H 2.320 0.0 2 938 101 101 GLU HB3 H 2.573 0.02 2 939 101 101 GLU HG2 H 2.319 0.02 2 940 101 101 GLU HG3 H 2.351 0.02 2 941 101 101 GLU C C 176.821 0.3 1 942 101 101 GLU CA C 57.479 0.013 1 943 101 101 GLU CB C 28.966 0.027 1 944 101 101 GLU CG C 37.634 0.3 1 945 101 101 GLU N N 119.638 0.3 1 946 102 102 LYS H H 8.013 0.02 1 947 102 102 LYS HA H 4.213 0.02 1 948 102 102 LYS HB2 H 1.444 0.02 2 949 102 102 LYS HB3 H 1.639 0.02 2 950 102 102 LYS HG2 H 1.216 0.02 2 951 102 102 LYS HG3 H 1.305 0.02 2 952 102 102 LYS HD2 H 1.711 0.02 2 953 102 102 LYS HD3 H 1.783 0.02 2 954 102 102 LYS HE2 H 3.005 0.02 2 955 102 102 LYS HE3 H 3.024 0.02 2 956 102 102 LYS C C 176.650 0.3 1 957 102 102 LYS CA C 57.924 0.3 1 958 102 102 LYS CB C 31.299 0.3 1 959 102 102 LYS CG C 27.360 0.3 1 960 102 102 LYS CD C 28.425 0.3 1 961 102 102 LYS CE C 43.970 0.3 1 962 102 102 LYS N N 118.452 0.032 1 963 103 103 ALA H H 8.293 0.024 1 964 103 103 ALA HA H 4.128 0.02 1 965 103 103 ALA HB H 1.451 0.02 1 966 103 103 ALA C C 178.704 0.3 1 967 103 103 ALA CA C 53.792 0.026 1 968 103 103 ALA CB C 16.008 0.3 1 969 103 103 ALA N N 121.044 0.3 1 970 104 104 LYS H H 8.035 0.02 1 971 104 104 LYS HA H 4.390 0.02 1 972 104 104 LYS HB2 H 1.901 0.02 2 973 104 104 LYS HB3 H 1.989 0.02 2 974 104 104 LYS HG2 H 1.483 0.02 2 975 104 104 LYS HG3 H 1.566 0.02 2 976 104 104 LYS HD2 H 1.659 0.023 2 977 104 104 LYS HD3 H 1.722 0.02 2 978 104 104 LYS HE2 H 3.117 0.02 2 979 104 104 LYS HE3 H 2.818 0.02 2 980 104 104 LYS C C 177.892 0.3 1 981 104 104 LYS CA C 57.704 0.005 1 982 104 104 LYS CB C 31.647 0.014 1 983 104 104 LYS CD C 29.775 0.3 1 984 104 104 LYS CE C 44.484 0.3 1 985 104 104 LYS N N 117.909 0.3 1 986 105 105 MET H H 8.380 0.009 1 987 105 105 MET HA H 4.154 0.02 1 988 105 105 MET HB2 H 2.010 0.02 2 989 105 105 MET HB3 H 2.139 0.02 2 990 105 105 MET HG2 H 2.612 0.02 2 991 105 105 MET HG3 H 2.718 0.02 2 992 105 105 MET HE H 1.688 0.02 1 993 105 105 MET C C 175.939 0.3 1 994 105 105 MET CA C 57.241 0.3 1 995 105 105 MET CB C 30.182 0.035 1 996 105 105 MET CE C 15.024 0.3 1 997 105 105 MET N N 122.642 0.035 1 998 106 106 ARG H H 8.378 0.02 1 999 106 106 ARG CA C 57.745 0.3 1 1000 106 106 ARG CB C 30.122 0.3 1 1001 106 106 ARG N N 116.294 0.3 1 1002 107 107 GLU H H 8.599 0.02 1 1003 107 107 GLU HA H 4.294 0.02 1 1004 107 107 GLU HB2 H 2.145 0.02 2 1005 107 107 GLU HB3 H 2.081 0.02 2 1006 107 107 GLU HG2 H 2.337 0.02 2 1007 107 107 GLU HG3 H 2.426 0.02 2 1008 107 107 GLU C C 175.380 0.3 1 1009 107 107 GLU CA C 55.806 0.3 1 1010 107 107 GLU CB C 30.176 0.3 1 1011 107 107 GLU CG C 37.977 0.3 1 1012 107 107 GLU N N 120.137 0.3 1 1013 108 108 LYS H H 8.036 0.008 1 1014 108 108 LYS HA H 4.744 0.02 1 1015 108 108 LYS HB2 H 1.560 0.02 1 1016 108 108 LYS HG2 H 1.154 0.02 2 1017 108 108 LYS HG3 H 1.303 0.02 2 1018 108 108 LYS HE2 H 2.400 0.02 1 1019 108 108 LYS CA C 56.478 0.3 1 1020 108 108 LYS CB C 32.868 0.3 1 1021 108 108 LYS CG C 26.379 0.3 1 1022 108 108 LYS CD C 31.626 0.3 1 1023 108 108 LYS CE C 40.048 0.3 1 1024 108 108 LYS N N 126.733 0.019 1 1025 109 109 LEU H H 7.950 0.019 1 1026 109 109 LEU HA H 4.242 0.02 1 1027 109 109 LEU HB2 H 1.794 0.02 2 1028 109 109 LEU HB3 H 1.799 0.02 2 1029 109 109 LEU HD1 H 0.997 0.02 1 1030 109 109 LEU C C 176.757 0.3 1 1031 109 109 LEU CA C 54.959 0.3 1 1032 109 109 LEU CB C 41.658 0.007 1 1033 109 109 LEU CG C 27.691 0.069 1 1034 109 109 LEU CD1 C 21.548 0.3 1 1035 109 109 LEU N N 120.268 0.3 1 1036 110 110 TRP H H 7.947 0.001 1 1037 110 110 TRP HA H 4.721 0.02 1 1038 110 110 TRP HB2 H 3.508 0.02 2 1039 110 110 TRP HB3 H 3.709 0.02 2 1040 110 110 TRP C C 175.645 0.3 1 1041 110 110 TRP CA C 57.138 0.012 1 1042 110 110 TRP CB C 29.369 0.004 1 1043 110 110 TRP N N 118.532 0.018 1 1044 111 111 ILE H H 7.761 0.02 1 1045 111 111 ILE HB H 1.672 0.02 1 1046 111 111 ILE HD1 H 0.490 0.02 1 1047 111 111 ILE CA C 60.916 0.014 1 1048 111 111 ILE CB C 38.191 0.003 1 1049 111 111 ILE CG1 C 30.332 0.3 1 1050 111 111 ILE CD1 C 11.004 0.3 1 1051 111 111 ILE N N 119.317 0.037 1 1052 112 112 GLN H H 7.828 0.011 1 1053 112 112 GLN HA H 4.231 0.02 1 1054 112 112 GLN HB2 H 1.998 0.02 2 1055 112 112 GLN HB3 H 2.068 0.02 2 1056 112 112 GLN HG2 H 2.560 0.02 2 1057 112 112 GLN HG3 H 2.511 0.02 2 1058 112 112 GLN CA C 55.547 0.3 1 1059 112 112 GLN CB C 30.095 0.3 1 1060 112 112 GLN CG C 34.069 0.3 1 1061 112 112 GLN N N 127.443 0.01 1 1062 113 113 GLU H H 8.297 0.02 1 1063 113 113 GLU HA H 4.369 0.02 1 1064 113 113 GLU HB2 H 2.254 0.02 2 1065 113 113 GLU HB3 H 2.386 0.02 2 1066 113 113 GLU HG2 H 2.525 0.02 2 1067 113 113 GLU HG3 H 2.469 0.02 2 1068 113 113 GLU C C 175.879 0.3 1 1069 113 113 GLU CA C 55.680 0.3 1 1070 113 113 GLU CB C 28.782 0.3 1 1071 113 113 GLU CG C 34.844 0.3 1 1072 113 113 GLU N N 121.441 0.3 1 1073 114 114 LEU H H 8.190 0.008 1 1074 114 114 LEU HA H 4.293 0.02 1 1075 114 114 LEU HB2 H 1.893 0.02 2 1076 114 114 LEU HB3 H 1.810 0.02 2 1077 114 114 LEU HG H 1.789 0.02 1 1078 114 114 LEU C C 176.275 0.3 1 1079 114 114 LEU CA C 55.336 0.018 1 1080 114 114 LEU CB C 41.459 0.032 1 1081 114 114 LEU CG C 27.905 0.3 1 1082 114 114 LEU N N 123.374 0.049 1 1083 115 115 GLU H H 8.595 0.007 1 1084 115 115 GLU HA H 4.342 0.02 1 1085 115 115 GLU HB2 H 2.254 0.02 2 1086 115 115 GLU HB3 H 2.185 0.02 2 1087 115 115 GLU HG2 H 2.469 0.02 2 1088 115 115 GLU HG3 H 2.386 0.02 2 1089 115 115 GLU C C 176.369 0.3 1 1090 115 115 GLU CA C 55.701 0.3 1 1091 115 115 GLU CB C 29.456 0.012 1 1092 115 115 GLU CG C 34.552 0.3 1 1093 115 115 GLU N N 122.376 0.015 1 1094 116 116 ARG H H 8.495 0.02 1 1095 116 116 ARG HA H 4.328 0.02 1 1096 116 116 ARG HB2 H 2.046 0.02 2 1097 116 116 ARG HB3 H 1.998 0.02 2 1098 116 116 ARG HG2 H 1.796 0.02 2 1099 116 116 ARG HG3 H 1.692 0.02 2 1100 116 116 ARG HD2 H 3.176 0.02 2 1101 116 116 ARG HD3 H 3.274 0.02 2 1102 116 116 ARG C C 176.364 0.3 1 1103 116 116 ARG CA C 55.826 0.3 1 1104 116 116 ARG CB C 29.954 0.3 1 1105 116 116 ARG CG C 27.411 0.3 1 1106 116 116 ARG CD C 43.414 0.3 1 1107 116 116 ARG N N 122.644 0.064 1 1108 117 117 ARG H H 8.223 0.02 1 1109 117 117 ARG HA H 4.251 0.02 1 1110 117 117 ARG HB2 H 1.907 0.02 2 1111 117 117 ARG HB3 H 1.977 0.02 2 1112 117 117 ARG HG2 H 1.776 0.02 2 1113 117 117 ARG HG3 H 1.706 0.02 2 1114 117 117 ARG HD2 H 3.315 0.02 2 1115 117 117 ARG HD3 H 3.385 0.02 2 1116 117 117 ARG C C 176.913 0.3 1 1117 117 117 ARG CA C 57.161 0.3 1 1118 117 117 ARG CB C 29.997 0.3 1 1119 117 117 ARG CG C 28.610 0.3 1 1120 117 117 ARG CD C 44.260 0.3 1 1121 117 117 ARG N N 118.828 0.3 1 1122 118 118 GLU H H 8.637 0.008 1 1123 118 118 GLU HA H 4.342 0.02 1 1124 118 118 GLU HB2 H 2.275 0.02 2 1125 118 118 GLU HB3 H 2.226 0.02 2 1126 118 118 GLU HG2 H 2.573 0.02 2 1127 118 118 GLU HG3 H 2.538 0.02 2 1128 118 118 GLU C C 176.888 0.3 1 1129 118 118 GLU CA C 56.814 0.009 1 1130 118 118 GLU CB C 27.675 0.3 1 1131 118 118 GLU CG C 37.375 0.3 1 1132 118 118 GLU N N 122.129 0.01 1 1133 119 119 GLU H H 8.555 0.006 1 1134 119 119 GLU HA H 4.232 0.02 1 1135 119 119 GLU HB2 H 2.036 0.02 2 1136 119 119 GLU HB3 H 2.088 0.02 2 1137 119 119 GLU HG2 H 2.295 0.02 2 1138 119 119 GLU HG3 H 2.365 0.02 2 1139 119 119 GLU C C 177.355 0.3 1 1140 119 119 GLU CA C 57.016 0.026 1 1141 119 119 GLU CB C 26.095 0.3 1 1142 119 119 GLU CG C 36.247 0.3 1 1143 119 119 GLU N N 121.317 0.3 1 1144 120 120 GLU H H 8.447 0.033 1 1145 120 120 GLU HA H 4.516 0.02 1 1146 120 120 GLU HB2 H 2.128 0.02 2 1147 120 120 GLU HB3 H 2.053 0.02 2 1148 120 120 GLU HG2 H 2.518 0.02 2 1149 120 120 GLU HG3 H 2.476 0.02 2 1150 120 120 GLU C C 177.569 0.3 1 1151 120 120 GLU CA C 57.278 0.019 1 1152 120 120 GLU CB C 26.166 0.3 1 1153 120 120 GLU CG C 36.952 0.3 1 1154 120 120 GLU N N 122.264 0.054 1 1155 121 121 THR H H 8.713 0.02 1 1156 121 121 THR HA H 3.529 0.02 1 1157 121 121 THR HB H 3.688 0.02 1 1158 121 121 THR HG2 H 1.086 0.02 1 1159 121 121 THR C C 177.481 0.3 1 1160 121 121 THR CA C 63.611 0.019 1 1161 121 121 THR CB C 68.244 0.3 1 1162 121 121 THR CG2 C 19.039 0.3 1 1163 121 121 THR N N 113.787 0.3 1 1164 122 122 GLU H H 8.497 0.02 1 1165 122 122 GLU HA H 4.345 0.02 1 1166 122 122 GLU HB2 H 2.258 0.02 2 1167 122 122 GLU HB3 H 2.232 0.02 2 1168 122 122 GLU HG2 H 2.508 0.02 2 1169 122 122 GLU HG3 H 2.530 0.02 2 1170 122 122 GLU C C 177.833 0.3 1 1171 122 122 GLU CA C 57.983 0.009 1 1172 122 122 GLU CB C 28.849 0.051 1 1173 122 122 GLU CG C 37.516 0.3 1 1174 122 122 GLU N N 122.225 0.3 1 1175 123 123 ALA H H 8.250 0.06 1 1176 123 123 ALA HA H 4.319 0.02 1 1177 123 123 ALA HB H 1.646 0.02 1 1178 123 123 ALA C C 179.695 0.3 1 1179 123 123 ALA CA C 54.140 0.045 1 1180 123 123 ALA CB C 17.861 0.031 1 1181 123 123 ALA N N 121.275 0.3 1 1182 124 124 ARG H H 8.067 0.02 1 1183 124 124 ARG HA H 4.263 0.02 1 1184 124 124 ARG HB2 H 1.957 0.02 2 1185 124 124 ARG HB3 H 1.913 0.02 2 1186 124 124 ARG HG2 H 1.650 0.02 2 1187 124 124 ARG HG3 H 1.573 0.02 2 1188 124 124 ARG HD2 H 3.383 0.02 2 1189 124 124 ARG HD3 H 3.300 0.02 2 1190 124 124 ARG C C 178.158 0.3 1 1191 124 124 ARG CA C 57.936 0.009 1 1192 124 124 ARG CB C 29.492 0.016 1 1193 124 124 ARG CG C 28.528 0.3 1 1194 124 124 ARG CD C 43.333 0.3 1 1195 124 124 ARG N N 117.424 0.3 1 1196 125 125 ARG H H 8.114 0.001 1 1197 125 125 ARG HA H 4.181 0.02 1 1198 125 125 ARG HB2 H 1.941 0.02 2 1199 125 125 ARG HB3 H 1.830 0.02 2 1200 125 125 ARG HG2 H 1.816 0.02 2 1201 125 125 ARG HG3 H 1.705 0.02 2 1202 125 125 ARG HD2 H 3.168 0.02 2 1203 125 125 ARG HD3 H 3.071 0.02 2 1204 125 125 ARG C C 177.957 0.3 1 1205 125 125 ARG CA C 57.931 0.3 1 1206 125 125 ARG CB C 29.565 0.3 1 1207 125 125 ARG CG C 29.163 0.3 1 1208 125 125 ARG CD C 45.095 0.3 1 1209 125 125 ARG N N 120.522 0.058 1 1210 126 126 LYS H H 8.417 0.02 1 1211 126 126 LYS HA H 3.311 0.02 1 1212 126 126 LYS HB2 H 1.508 0.02 2 1213 126 126 LYS HB3 H 1.698 0.02 2 1214 126 126 LYS HG2 H 1.434 0.02 2 1215 126 126 LYS HG3 H 1.244 0.02 2 1216 126 126 LYS HD2 H 1.713 0.02 2 1217 126 126 LYS HD3 H 1.566 0.02 2 1218 126 126 LYS HE2 H 2.973 0.02 2 1219 126 126 LYS HE3 H 2.797 0.02 2 1220 126 126 LYS C C 178.575 0.3 1 1221 126 126 LYS CA C 57.196 0.3 1 1222 126 126 LYS CB C 29.034 0.3 1 1223 126 126 LYS CG C 25.850 0.3 1 1224 126 126 LYS CD C 29.233 0.3 1 1225 126 126 LYS CE C 41.077 0.3 1 1226 126 126 LYS N N 118.151 0.3 1 1227 127 127 ARG H H 8.230 0.001 1 1228 127 127 ARG HA H 4.248 0.02 1 1229 127 127 ARG HB2 H 2.109 0.02 2 1230 127 127 ARG HB3 H 2.255 0.02 2 1231 127 127 ARG HG2 H 1.625 0.02 2 1232 127 127 ARG HG3 H 1.727 0.02 2 1233 127 127 ARG HD2 H 3.252 0.02 2 1234 127 127 ARG HD3 H 3.428 0.02 2 1235 127 127 ARG C C 177.318 0.3 1 1236 127 127 ARG CA C 57.079 0.033 1 1237 127 127 ARG CB C 29.230 0.04 1 1238 127 127 ARG CG C 27.965 0.3 1 1239 127 127 ARG CD C 43.826 0.3 1 1240 127 127 ARG N N 120.517 0.3 1 1241 128 128 ALA H H 8.277 0.011 1 1242 128 128 ALA HB H 1.666 0.02 1 1243 128 128 ALA C C 178.613 0.3 1 1244 128 128 ALA CA C 53.196 0.3 1 1245 128 128 ALA CB C 18.025 0.3 1 1246 128 128 ALA N N 123.897 0.3 1 1247 129 129 GLU H H 8.409 0.02 1 1248 129 129 GLU HA H 4.029 0.02 1 1249 129 129 GLU HB2 H 1.977 0.02 2 1250 129 129 GLU HB3 H 2.138 0.02 2 1251 129 129 GLU HG2 H 2.152 0.02 2 1252 129 129 GLU HG3 H 2.416 0.02 2 1253 129 129 GLU C C 176.665 0.3 1 1254 129 129 GLU CA C 56.600 0.3 1 1255 129 129 GLU CB C 27.902 0.3 1 1256 129 129 GLU N N 122.355 0.3 1 1257 130 130 LEU H H 8.048 0.001 1 1258 130 130 LEU HA H 4.571 0.02 1 1259 130 130 LEU HB2 H 1.727 0.02 2 1260 130 130 LEU HB3 H 1.859 0.02 2 1261 130 130 LEU HG H 1.889 0.02 1 1262 130 130 LEU C C 177.556 0.3 1 1263 130 130 LEU CA C 54.970 0.029 1 1264 130 130 LEU CB C 41.672 0.009 1 1265 130 130 LEU CG C 27.550 0.3 1 1266 130 130 LEU N N 121.707 0.061 1 1267 131 131 ALA H H 8.132 0.012 1 1268 131 131 ALA HA H 4.483 0.02 1 1269 131 131 ALA C C 176.608 0.3 1 1270 131 131 ALA CA C 52.228 0.003 1 1271 131 131 ALA CB C 18.503 0.006 1 1272 131 131 ALA N N 124.781 0.048 1 1273 132 132 ARG H H 7.831 0.007 1 1274 132 132 ARG HA H 4.483 0.02 1 1275 132 132 ARG HB2 H 2.240 0.02 2 1276 132 132 ARG HB3 H 2.006 0.02 2 1277 132 132 ARG HG2 H 1.874 0.02 2 1278 132 132 ARG HG3 H 1.683 0.02 2 1279 132 132 ARG HD2 H 3.384 0.02 2 1280 132 132 ARG HD3 H 3.178 0.02 2 1281 132 132 ARG C C 177.556 0.3 1 1282 132 132 ARG CA C 57.147 0.3 1 1283 132 132 ARG CB C 31.286 0.3 1 1284 132 132 ARG CG C 28.678 0.3 1 1285 132 132 ARG CD C 43.694 0.3 1 1286 132 132 ARG N N 125.295 0.004 1 1287 133 133 MET H H 8.260 0.009 1 1288 133 133 MET HA H 4.240 0.02 1 1289 133 133 MET HB2 H 2.086 0.02 2 1290 133 133 MET HB3 H 2.152 0.02 2 1291 133 133 MET HG2 H 2.523 0.02 2 1292 133 133 MET HG3 H 2.665 0.02 2 1293 133 133 MET HE H 2.081 0.02 1 1294 133 133 MET C C 178.054 0.3 1 1295 133 133 MET CA C 57.615 0.3 1 1296 133 133 MET CB C 31.718 0.3 1 1297 133 133 MET CG C 32.837 0.3 1 1298 133 133 MET CE C 14.690 0.3 1 1299 133 133 MET N N 120.131 0.049 1 1300 134 134 LYS H H 8.167 0.006 1 1301 134 134 LYS HA H 4.470 0.02 1 1302 134 134 LYS HB2 H 1.905 0.002 2 1303 134 134 LYS HB3 H 2.138 0.02 2 1304 134 134 LYS HG2 H 1.655 0.002 2 1305 134 134 LYS HG3 H 1.596 0.02 2 1306 134 134 LYS HD2 H 1.771 0.02 2 1307 134 134 LYS HD3 H 1.669 0.02 2 1308 134 134 LYS HE2 H 3.391 0.02 2 1309 134 134 LYS HE3 H 3.142 0.02 2 1310 134 134 LYS C C 177.667 0.3 1 1311 134 134 LYS CA C 57.490 0.039 1 1312 134 134 LYS CB C 31.684 0.012 1 1313 134 134 LYS CG C 26.775 0.3 1 1314 134 134 LYS CD C 31.850 0.3 1 1315 134 134 LYS CE C 42.636 0.3 1 1316 134 134 LYS N N 119.523 0.088 1 1317 135 135 THR H H 8.025 0.01 1 1318 135 135 THR HA H 4.248 0.02 1 1319 135 135 THR HB H 4.264 0.02 1 1320 135 135 THR HG2 H 1.219 0.02 1 1321 135 135 THR C C 177.405 0.3 1 1322 135 135 THR CA C 63.440 0.002 1 1323 135 135 THR CB C 69.146 0.003 1 1324 135 135 THR CG2 C 19.450 0.3 1 1325 135 135 THR N N 113.569 0.3 1 1326 136 136 LEU H H 8.083 0.014 1 1327 136 136 LEU HA H 4.014 0.02 1 1328 136 136 LEU HB2 H 1.792 0.02 2 1329 136 136 LEU HB3 H 1.874 0.02 2 1330 136 136 LEU HG H 1.545 0.02 1 1331 136 136 LEU HD1 H 0.857 0.02 2 1332 136 136 LEU HD2 H 0.907 0.02 2 1333 136 136 LEU C C 179.963 0.3 1 1334 136 136 LEU CA C 56.102 0.024 1 1335 136 136 LEU CB C 41.308 0.002 1 1336 136 136 LEU CG C 29.594 0.3 1 1337 136 136 LEU CD1 C 21.580 0.3 2 1338 136 136 LEU CD2 C 22.885 0.3 2 1339 136 136 LEU N N 121.638 0.032 1 1340 137 137 GLU H H 8.602 0.02 1 1341 137 137 GLU HA H 4.236 0.02 1 1342 137 137 GLU HB2 H 2.254 0.02 2 1343 137 137 GLU HB3 H 2.284 0.02 2 1344 137 137 GLU HG2 H 2.505 0.02 2 1345 137 137 GLU HG3 H 2.636 0.02 2 1346 137 137 GLU C C 179.211 0.3 1 1347 137 137 GLU CA C 57.016 0.002 1 1348 137 137 GLU CB C 26.704 0.3 1 1349 137 137 GLU N N 120.531 0.019 1 1350 138 138 ASN H H 8.490 0.02 1 1351 138 138 ASN HA H 4.786 0.02 1 1352 138 138 ASN HB2 H 3.045 0.02 2 1353 138 138 ASN HB3 H 2.959 0.02 2 1354 138 138 ASN HD21 H 7.107 0.02 1 1355 138 138 ASN HD22 H 7.546 0.02 1 1356 138 138 ASN C C 175.722 0.3 1 1357 138 138 ASN CA C 54.723 0.3 1 1358 138 138 ASN CB C 39.652 0.3 1 1359 138 138 ASN N N 121.580 0.3 1 1360 139 139 GLU H H 8.428 0.02 1 1361 139 139 GLU HA H 4.264 0.02 1 1362 139 139 GLU HB2 H 2.049 0.02 2 1363 139 139 GLU HB3 H 2.284 0.02 2 1364 139 139 GLU HG2 H 2.303 0.02 2 1365 139 139 GLU HG3 H 2.211 0.02 2 1366 139 139 GLU C C 177.961 0.3 1 1367 139 139 GLU CA C 58.400 0.012 1 1368 139 139 GLU CB C 28.723 0.012 1 1369 139 139 GLU CG C 37.208 0.3 1 1370 139 139 GLU N N 120.782 0.3 1 1371 140 140 GLU H H 8.409 0.005 1 1372 140 140 GLU HA H 4.349 0.02 1 1373 140 140 GLU HB2 H 1.901 0.02 2 1374 140 140 GLU HB3 H 2.123 0.02 2 1375 140 140 GLU HG2 H 2.287 0.02 2 1376 140 140 GLU HG3 H 2.167 0.02 2 1377 140 140 GLU C C 178.439 0.3 1 1378 140 140 GLU CA C 58.784 0.3 1 1379 140 140 GLU CB C 28.681 0.3 1 1380 140 140 GLU CG C 36.292 0.3 1 1381 140 140 GLU N N 120.586 0.002 1 1382 141 141 GLU H H 8.340 0.002 1 1383 141 141 GLU HA H 4.395 0.02 1 1384 141 141 GLU HB2 H 1.852 0.02 2 1385 141 141 GLU HB3 H 2.065 0.02 2 1386 141 141 GLU HG2 H 2.334 0.02 2 1387 141 141 GLU HG3 H 2.460 0.02 2 1388 141 141 GLU C C 177.794 0.3 1 1389 141 141 GLU CA C 57.618 0.3 1 1390 141 141 GLU CB C 29.642 0.3 1 1391 141 141 GLU CG C 35.798 0.3 1 1392 141 141 GLU N N 119.680 0.3 1 1393 142 142 ILE H H 8.477 0.014 1 1394 142 142 ILE HA H 4.157 0.02 1 1395 142 142 ILE HB H 1.985 0.02 1 1396 142 142 ILE HG12 H 2.035 0.02 2 1397 142 142 ILE HG13 H 1.727 0.02 2 1398 142 142 ILE HG2 H 0.577 0.02 1 1399 142 142 ILE HD1 H 0.777 0.02 1 1400 142 142 ILE C C 178.428 0.3 1 1401 142 142 ILE CA C 64.073 0.3 1 1402 142 142 ILE CB C 36.192 0.3 1 1403 142 142 ILE CG1 C 31.286 0.3 1 1404 142 142 ILE CG2 C 14.965 0.3 1 1405 142 142 ILE CD1 C 10.911 0.3 1 1406 142 142 ILE N N 117.770 0.039 1 1407 143 143 LYS H H 7.794 0.02 1 1408 143 143 LYS HA H 4.064 0.02 1 1409 143 143 LYS HB2 H 1.478 0.02 2 1410 143 143 LYS HB3 H 1.683 0.02 2 1411 143 143 LYS HG2 H 1.214 0.02 2 1412 143 143 LYS HG3 H 1.405 0.02 2 1413 143 143 LYS HD2 H 1.815 0.02 2 1414 143 143 LYS HD3 H 1.727 0.02 2 1415 143 143 LYS HE2 H 2.797 0.02 2 1416 143 143 LYS HE3 H 2.929 0.02 2 1417 143 143 LYS C C 177.194 0.3 1 1418 143 143 LYS CA C 59.074 0.3 1 1419 143 143 LYS CB C 33.946 0.3 1 1420 143 143 LYS CG C 26.352 0.3 1 1421 143 143 LYS CD C 32.062 0.3 1 1422 143 143 LYS CE C 42.143 0.3 1 1423 143 143 LYS N N 119.365 0.3 1 1424 144 144 ASN H H 8.263 0.02 1 1425 144 144 ASN HA H 4.619 0.02 1 1426 144 144 ASN HB2 H 2.782 0.02 2 1427 144 144 ASN HB3 H 3.017 0.02 2 1428 144 144 ASN HD21 H 7.444 0.02 1 1429 144 144 ASN HD22 H 6.989 0.02 1 1430 144 144 ASN C C 177.795 0.3 1 1431 144 144 ASN CA C 56.979 0.3 1 1432 144 144 ASN CB C 38.985 0.3 1 1433 144 144 ASN N N 118.311 0.3 1 1434 145 145 LEU H H 8.249 0.006 1 1435 145 145 LEU HA H 4.261 0.02 1 1436 145 145 LEU HB2 H 1.376 0.02 2 1437 145 145 LEU HB3 H 2.167 0.02 2 1438 145 145 LEU HG H 1.185 0.02 1 1439 145 145 LEU HD1 H 1.057 0.05 2 1440 145 145 LEU HD2 H 0.877 0.02 2 1441 145 145 LEU C C 178.910 0.3 1 1442 145 145 LEU CA C 57.828 0.3 1 1443 145 145 LEU CB C 41.047 0.3 1 1444 145 145 LEU CG C 25.224 0.3 1 1445 145 145 LEU CD1 C 22.071 0.007 2 1446 145 145 LEU CD2 C 22.731 0.3 2 1447 145 145 LEU N N 120.850 0.037 1 1448 146 146 GLU H H 8.600 0.02 1 1449 146 146 GLU HA H 4.058 0.02 1 1450 146 146 GLU HB2 H 2.286 0.02 2 1451 146 146 GLU HB3 H 2.284 0.02 2 1452 146 146 GLU HG2 H 2.491 0.02 2 1453 146 146 GLU HG3 H 2.592 0.02 2 1454 146 146 GLU C C 176.570 0.3 1 1455 146 146 GLU CA C 57.312 0.005 1 1456 146 146 GLU CB C 27.268 0.3 1 1457 146 146 GLU CG C 35.869 0.3 1 1458 146 146 GLU N N 118.095 0.3 1 1459 147 147 LYS H H 8.031 0.007 1 1460 147 147 LYS HA H 4.262 0.02 1 1461 147 147 LYS HB2 H 1.669 0.02 2 1462 147 147 LYS HB3 H 1.508 0.02 2 1463 147 147 LYS HG2 H 1.332 0.02 2 1464 147 147 LYS HG3 H 1.170 0.02 2 1465 147 147 LYS HD2 H 1.845 0.02 2 1466 147 147 LYS HD3 H 1.727 0.02 2 1467 147 147 LYS HE2 H 2.783 0.02 2 1468 147 147 LYS HE3 H 3.003 0.02 2 1469 147 147 LYS C C 178.889 0.3 1 1470 147 147 LYS CA C 58.998 0.3 1 1471 147 147 LYS CB C 31.412 0.3 1 1472 147 147 LYS CG C 27.339 0.3 1 1473 147 147 LYS CE C 43.271 0.3 1 1474 147 147 LYS N N 120.120 0.024 1 1475 148 148 GLU H H 8.161 0.005 1 1476 148 148 GLU HA H 4.376 0.005 1 1477 148 148 GLU HB2 H 2.189 0.02 2 1478 148 148 GLU HB3 H 2.343 0.02 2 1479 148 148 GLU HG2 H 2.422 0.004 2 1480 148 148 GLU HG3 H 2.548 0.02 2 1481 148 148 GLU C C 178.941 0.3 1 1482 148 148 GLU CA C 58.397 0.017 1 1483 148 148 GLU CB C 27.721 0.011 1 1484 148 148 GLU CG C 36.644 0.3 1 1485 148 148 GLU N N 119.057 0.026 1 1486 149 149 LEU H H 8.517 0.026 1 1487 149 149 LEU HA H 4.276 0.006 1 1488 149 149 LEU HB2 H 1.989 0.02 2 1489 149 149 LEU HB3 H 2.123 0.02 2 1490 149 149 LEU HG H 1.819 0.02 1 1491 149 149 LEU HD1 H 0.844 0.02 2 1492 149 149 LEU HD2 H 0.910 0.02 2 1493 149 149 LEU C C 178.625 0.3 1 1494 149 149 LEU CA C 57.630 0.012 1 1495 149 149 LEU CB C 40.676 0.0 1 1496 149 149 LEU CD1 C 21.199 0.3 2 1497 149 149 LEU CD2 C 22.642 0.3 2 1498 149 149 LEU N N 119.167 0.021 1 1499 150 150 SER H H 8.233 0.02 1 1500 150 150 SER HA H 4.375 0.0 1 1501 150 150 SER HB2 H 4.204 0.02 2 1502 150 150 SER HB3 H 4.307 0.02 2 1503 150 150 SER C C 177.142 0.3 1 1504 150 150 SER CA C 61.440 0.018 1 1505 150 150 SER CB C 62.449 0.008 1 1506 150 150 SER N N 114.579 0.3 1 1507 151 151 ASP H H 8.350 0.02 1 1508 151 151 ASP HA H 4.205 0.02 1 1509 151 151 ASP HB2 H 2.865 0.02 2 1510 151 151 ASP HB3 H 2.695 0.02 2 1511 151 151 ASP C C 179.007 0.3 1 1512 151 151 ASP CA C 56.986 0.3 1 1513 151 151 ASP CB C 40.221 0.3 1 1514 151 151 ASP N N 121.866 0.3 1 1515 152 152 LEU H H 8.297 0.005 1 1516 152 152 LEU HA H 3.987 0.02 1 1517 152 152 LEU HB2 H 1.933 0.02 2 1518 152 152 LEU HB3 H 1.581 0.02 2 1519 152 152 LEU HG H 1.654 0.02 1 1520 152 152 LEU HD1 H 0.658 0.02 2 1521 152 152 LEU HD2 H 0.785 0.02 2 1522 152 152 LEU C C 178.802 0.3 1 1523 152 152 LEU CA C 57.854 0.002 1 1524 152 152 LEU CB C 41.038 0.022 1 1525 152 152 LEU CG C 28.466 0.3 1 1526 152 152 LEU CD1 C 21.073 0.3 2 1527 152 152 LEU CD2 C 22.321 0.3 2 1528 152 152 LEU N N 122.109 0.054 1 1529 153 153 GLU H H 8.441 0.02 1 1530 153 153 GLU HA H 4.016 0.02 1 1531 153 153 GLU HB2 H 2.062 0.02 2 1532 153 153 GLU HB3 H 2.152 0.02 2 1533 153 153 GLU HG2 H 2.376 0.02 2 1534 153 153 GLU HG3 H 2.460 0.02 2 1535 153 153 GLU C C 178.536 0.3 1 1536 153 153 GLU CA C 59.436 0.3 1 1537 153 153 GLU CB C 27.786 0.3 1 1538 153 153 GLU CG C 37.278 0.3 1 1539 153 153 GLU N N 122.251 0.3 1 1540 154 154 ASN H H 8.142 0.02 1 1541 154 154 ASN HA H 4.247 0.02 1 1542 154 154 ASN HB2 H 3.024 0.003 2 1543 154 154 ASN HB3 H 2.915 0.02 2 1544 154 154 ASN HD21 H 7.561 0.02 1 1545 154 154 ASN HD22 H 7.209 0.02 1 1546 154 154 ASN C C 177.495 0.3 1 1547 154 154 ASN CA C 55.530 0.3 1 1548 154 154 ASN CB C 38.499 0.3 1 1549 154 154 ASN N N 116.741 0.3 1 1550 155 155 LYS H H 8.132 0.01 1 1551 155 155 LYS HA H 4.300 0.02 1 1552 155 155 LYS HB2 H 1.796 0.02 2 1553 155 155 LYS HB3 H 1.874 0.02 2 1554 155 155 LYS HG2 H 1.493 0.02 2 1555 155 155 LYS HG3 H 1.346 0.02 2 1556 155 155 LYS HD2 H 1.656 0.02 2 1557 155 155 LYS HD3 H 1.786 0.02 2 1558 155 155 LYS HE2 H 3.137 0.02 2 1559 155 155 LYS HE3 H 3.266 0.02 2 1560 155 155 LYS C C 178.338 0.3 1 1561 155 155 LYS CA C 58.285 0.3 1 1562 155 155 LYS CB C 32.159 0.3 1 1563 155 155 LYS CG C 23.814 0.3 1 1564 155 155 LYS CD C 31.850 0.3 1 1565 155 155 LYS CE C 42.217 0.3 1 1566 155 155 LYS N N 119.466 0.018 1 1567 156 156 LEU H H 8.138 0.01 1 1568 156 156 LEU HA H 3.999 0.02 1 1569 156 156 LEU HB2 H 1.983 0.02 2 1570 156 156 LEU HB3 H 2.152 0.02 2 1571 156 156 LEU HD1 H 0.833 0.02 2 1572 156 156 LEU HD2 H 0.791 0.02 2 1573 156 156 LEU C C 179.286 0.3 1 1574 156 156 LEU CA C 56.122 0.3 1 1575 156 156 LEU CB C 41.406 0.3 1 1576 156 156 LEU CG C 24.589 0.3 1 1577 156 156 LEU CD1 C 21.477 0.3 2 1578 156 156 LEU CD2 C 22.997 0.3 2 1579 156 156 LEU N N 117.860 0.037 1 1580 157 157 GLY H H 8.103 0.002 1 1581 157 157 GLY HA2 H 4.139 0.02 2 1582 157 157 GLY HA3 H 4.292 0.02 2 1583 157 157 GLY C C 174.587 0.3 1 1584 157 157 GLY CA C 45.779 0.3 1 1585 157 157 GLY N N 105.718 0.091 1 1586 158 158 LYS H H 7.905 0.02 1 1587 158 158 LYS HA H 4.490 0.02 1 1588 158 158 LYS HB2 H 1.938 0.02 2 1589 158 158 LYS HB3 H 2.065 0.02 2 1590 158 158 LYS HG2 H 1.346 0.02 2 1591 158 158 LYS HG3 H 0.995 0.02 2 1592 158 158 LYS HD2 H 1.639 0.02 2 1593 158 158 LYS HD3 H 1.815 0.02 2 1594 158 158 LYS HE2 H 2.944 0.02 2 1595 158 158 LYS HE3 H 3.486 0.02 2 1596 158 158 LYS C C 176.814 0.3 1 1597 158 158 LYS CA C 56.168 0.3 1 1598 158 158 LYS CB C 32.045 0.3 1 1599 158 158 LYS CG C 26.563 0.3 1 1600 158 158 LYS CD C 31.991 0.3 1 1601 158 158 LYS CE C 43.905 0.3 1 1602 158 158 LYS N N 119.161 0.3 1 1603 159 159 LYS H H 8.120 0.002 1 1604 159 159 LYS HA H 4.386 0.02 1 1605 159 159 LYS HB2 H 1.873 0.02 2 1606 159 159 LYS HB3 H 2.314 0.02 2 1607 159 159 LYS HG2 H 1.112 0.02 2 1608 159 159 LYS HG3 H 1.229 0.02 2 1609 159 159 LYS HD2 H 1.845 0.02 2 1610 159 159 LYS HD3 H 1.947 0.02 2 1611 159 159 LYS HE2 H 3.149 0.02 2 1612 159 159 LYS HE3 H 3.091 0.02 2 1613 159 159 LYS C C 176.135 0.3 1 1614 159 159 LYS CA C 56.177 0.3 1 1615 159 159 LYS CB C 32.025 0.3 1 1616 159 159 LYS CG C 27.198 0.3 1 1617 159 159 LYS CD C 31.991 0.3 1 1618 159 159 LYS CE C 40.380 0.3 1 1619 159 159 LYS N N 120.740 0.3 1 stop_ save_