data_27192 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of Rab5a (double deletion mutant) from Leishmania donovani ; _BMRB_accession_number 27192 _BMRB_flat_file_name bmr27192.str _Entry_type original _Submission_date 2017-07-22 _Accession_date 2017-07-22 _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 Maheshwari Diva . . 2 Yadav Rahul . . 3 Mukhopadhyay Amitabha . . 4 Arora Ashish . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 822 "13C chemical shifts" 632 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-10 original BMRB . stop_ _Original_release_date 2017-07-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Biophysical Characterization of Rab5a from Leishmania Donovani ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30241678 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maheshwari Diva . . 2 Yadav Rahul . . 3 Rastogi Ruchir . . 4 Jain Anupam . . 5 Tripathi Sarita . . 6 Mukhopadhyay Amitabha . . 7 Arora Ashish . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 115 _Journal_issue 7 _Journal_ISSN 1542-0086 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1217 _Page_last 1230 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rab5a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rab5a $Rab5a 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_Rab5a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rab5a _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MNTHPPQLMEATSAKIVMLG ESGAGKSSIALRFTRNEFLA NQETTIGAAFLSKTVMIDGR ALKYEIWDTAGLERFRSLAP IYYRGASGALVVYDITNSES LKKAQTWIKELRANADPSLI IVLVGNKKDLGSLRQVSFED GQRLAAEEQLAAFYEASAKD NNNVEQVFLDLAAKL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 THR 4 HIS 5 PRO 6 PRO 7 GLN 8 LEU 9 MET 10 GLU 11 ALA 12 THR 13 SER 14 ALA 15 LYS 16 ILE 17 VAL 18 MET 19 LEU 20 GLY 21 GLU 22 SER 23 GLY 24 ALA 25 GLY 26 LYS 27 SER 28 SER 29 ILE 30 ALA 31 LEU 32 ARG 33 PHE 34 THR 35 ARG 36 ASN 37 GLU 38 PHE 39 LEU 40 ALA 41 ASN 42 GLN 43 GLU 44 THR 45 THR 46 ILE 47 GLY 48 ALA 49 ALA 50 PHE 51 LEU 52 SER 53 LYS 54 THR 55 VAL 56 MET 57 ILE 58 ASP 59 GLY 60 ARG 61 ALA 62 LEU 63 LYS 64 TYR 65 GLU 66 ILE 67 TRP 68 ASP 69 THR 70 ALA 71 GLY 72 LEU 73 GLU 74 ARG 75 PHE 76 ARG 77 SER 78 LEU 79 ALA 80 PRO 81 ILE 82 TYR 83 TYR 84 ARG 85 GLY 86 ALA 87 SER 88 GLY 89 ALA 90 LEU 91 VAL 92 VAL 93 TYR 94 ASP 95 ILE 96 THR 97 ASN 98 SER 99 GLU 100 SER 101 LEU 102 LYS 103 LYS 104 ALA 105 GLN 106 THR 107 TRP 108 ILE 109 LYS 110 GLU 111 LEU 112 ARG 113 ALA 114 ASN 115 ALA 116 ASP 117 PRO 118 SER 119 LEU 120 ILE 121 ILE 122 VAL 123 LEU 124 VAL 125 GLY 126 ASN 127 LYS 128 LYS 129 ASP 130 LEU 131 GLY 132 SER 133 LEU 134 ARG 135 GLN 136 VAL 137 SER 138 PHE 139 GLU 140 ASP 141 GLY 142 GLN 143 ARG 144 LEU 145 ALA 146 ALA 147 GLU 148 GLU 149 GLN 150 LEU 151 ALA 152 ALA 153 PHE 154 TYR 155 GLU 156 ALA 157 SER 158 ALA 159 LYS 160 ASP 161 ASN 162 ASN 163 ASN 164 VAL 165 GLU 166 GLN 167 VAL 168 PHE 169 LEU 170 ASP 171 LEU 172 ALA 173 ALA 174 LYS 175 LEU 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 $Rab5a 'Leishmania donovani' 5661 Eukaryota Excavata Leishmania donovani 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 $Rab5a 'recombinant technology' . Escherichia coli . pGEX-4T1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' DTT 2 mM 'natural abundance' GTP 1 mM 'natural abundance' 'Magnesium chloride' 5 mM 'natural abundance' Glycerol 3 % 'natural abundance' $Rab5a . mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N-13C labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' DTT 2 mM 'natural abundance' GTP 1 mM 'natural abundance' 'Magnesium chloride' 5 mM 'natural abundance' Glycerol 3 % 'natural abundance' $Rab5a . mM . stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 nitrogen ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CA)CO' '3D H(CCO)NH' '3D C(CO)NH' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rab5a _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 8.586 0.020 1 2 1 1 MET HA H 4.503 0.020 1 3 1 1 MET HB2 H 1.981 0.020 2 4 1 1 MET HB3 H 1.967 0.020 2 5 1 1 MET HG2 H 2.313 0.020 1 6 1 1 MET HG3 H 2.313 0.020 1 7 1 1 MET C C 175.802 0.3 1 8 1 1 MET CA C 55.788 0.3 1 9 1 1 MET CB C 32.972 0.3 1 10 1 1 MET CG C 31.779 0.3 1 11 1 1 MET N N 122.060 0.3 1 12 2 2 ASN H H 8.484 0.020 1 13 2 2 ASN HA H 4.747 0.020 1 14 2 2 ASN HB2 H 2.796 0.020 1 15 2 2 ASN HB3 H 2.796 0.020 1 16 2 2 ASN C C 175.211 0.3 1 17 2 2 ASN CA C 53.449 0.3 1 18 2 2 ASN CB C 38.922 0.3 1 19 2 2 ASN N N 119.931 0.3 1 20 3 3 THR H H 8.058 0.020 1 21 3 3 THR HA H 4.765 0.020 1 22 3 3 THR HB H 4.274 0.020 1 23 3 3 THR HG2 H 0.621 0.020 1 24 3 3 THR C C 173.954 0.3 1 25 3 3 THR CA C 61.735 0.3 1 26 3 3 THR CB C 69.678 0.3 1 27 3 3 THR CG2 C 21.603 0.3 1 28 3 3 THR N N 114.027 0.3 1 29 4 4 HIS H H 8.362 0.020 1 30 4 4 HIS HA H 4.480 0.020 1 31 4 4 HIS C C 172.131 0.3 1 32 4 4 HIS CA C 53.636 0.3 1 33 4 4 HIS CB C 29.069 0.3 1 34 4 4 HIS N N 121.190 0.3 1 35 6 6 PRO HA H 4.481 0.020 1 36 6 6 PRO HB2 H 2.306 0.020 1 37 6 6 PRO HB3 H 2.306 0.020 1 38 6 6 PRO HG2 H 1.986 0.020 1 39 6 6 PRO HG3 H 1.986 0.020 1 40 6 6 PRO HD2 H 3.745 0.020 1 41 6 6 PRO HD3 H 3.745 0.020 1 42 6 6 PRO C C 176.739 0.3 1 43 6 6 PRO CA C 63.155 0.3 1 44 6 6 PRO CB C 32.177 0.3 1 45 6 6 PRO CD C 50.530 0.3 1 46 7 7 GLN H H 8.480 0.020 1 47 7 7 GLN HA H 4.289 0.020 1 48 7 7 GLN HB2 H 2.026 0.020 1 49 7 7 GLN HB3 H 2.026 0.020 1 50 7 7 GLN HG2 H 2.402 0.020 1 51 7 7 GLN HG3 H 2.402 0.020 1 52 7 7 GLN C C 175.678 0.3 1 53 7 7 GLN CA C 55.904 0.3 1 54 7 7 GLN CB C 29.324 0.3 1 55 7 7 GLN CG C 33.927 0.3 1 56 7 7 GLN N N 120.200 0.3 1 57 8 8 LEU H H 8.272 0.020 1 58 8 8 LEU HA H 4.233 0.020 1 59 8 8 LEU HB2 H 1.605 0.020 2 60 8 8 LEU HB3 H 1.545 0.020 2 61 8 8 LEU HG H 1.545 0.020 1 62 8 8 LEU HD1 H 0.883 0.020 1 63 8 8 LEU HD2 H 0.883 0.020 1 64 8 8 LEU C C 176.912 0.3 1 65 8 8 LEU CA C 55.159 0.3 1 66 8 8 LEU CB C 42.346 0.3 1 67 8 8 LEU CG C 27.173 0.3 1 68 8 8 LEU CD1 C 24.980 0.3 1 69 8 8 LEU CD2 C 23.774 0.3 1 70 8 8 LEU N N 123.600 0.3 1 71 9 9 MET H H 8.318 0.020 1 72 9 9 MET HB2 H 2.545 0.020 1 73 9 9 MET HB3 H 2.545 0.020 1 74 9 9 MET HG2 H 0.984 0.020 1 75 9 9 MET HG3 H 0.984 0.020 1 76 9 9 MET C C 175.778 0.3 1 77 9 9 MET CA C 55.350 0.3 1 78 9 9 MET CB C 33.153 0.3 1 79 9 9 MET CG C 31.779 0.3 1 80 9 9 MET N N 121.213 0.3 1 81 10 10 GLU H H 8.408 0.020 1 82 10 10 GLU HA H 4.289 0.020 1 83 10 10 GLU HB2 H 1.943 0.020 1 84 10 10 GLU HB3 H 1.943 0.020 1 85 10 10 GLU HG2 H 2.263 0.020 1 86 10 10 GLU HG3 H 2.263 0.020 1 87 10 10 GLU C C 175.630 0.3 1 88 10 10 GLU CA C 56.321 0.3 1 89 10 10 GLU CB C 30.516 0.3 1 90 10 10 GLU CG C 36.302 0.3 1 91 10 10 GLU N N 122.677 0.3 1 92 11 11 ALA H H 8.371 0.020 1 93 11 11 ALA HA H 4.182 0.020 1 94 11 11 ALA HB H 1.325 0.020 1 95 11 11 ALA C C 177.553 0.3 1 96 11 11 ALA CA C 52.158 0.3 1 97 11 11 ALA CB C 20.243 0.3 1 98 11 11 ALA N N 125.210 0.3 1 99 12 12 THR H H 8.270 0.020 1 100 12 12 THR HA H 4.481 0.020 1 101 12 12 THR HB H 4.139 0.020 1 102 12 12 THR HG2 H 1.218 0.020 1 103 12 12 THR C C 173.535 0.3 1 104 12 12 THR CA C 61.883 0.3 1 105 12 12 THR CB C 70.259 0.3 1 106 12 12 THR CG2 C 21.380 0.3 1 107 12 12 THR N N 116.153 0.3 1 108 13 13 SER H H 8.520 0.020 1 109 13 13 SER HA H 5.257 0.020 1 110 13 13 SER HB2 H 3.756 0.020 1 111 13 13 SER HB3 H 3.756 0.020 1 112 13 13 SER C C 173.166 0.3 1 113 13 13 SER CA C 57.726 0.3 1 114 13 13 SER CB C 65.076 0.3 1 115 13 13 SER N N 119.631 0.3 1 116 14 14 ALA H H 8.722 0.020 1 117 14 14 ALA HA H 4.566 0.020 1 118 14 14 ALA HB H 0.941 0.020 1 119 14 14 ALA C C 174.644 0.3 1 120 14 14 ALA CA C 50.959 0.3 1 121 14 14 ALA CB C 20.903 0.3 1 122 14 14 ALA N N 126.678 0.3 1 123 15 15 LYS H H 8.376 0.020 1 124 15 15 LYS HA H 5.355 0.020 1 125 15 15 LYS HB2 H 2.095 0.020 1 126 15 15 LYS HB3 H 2.095 0.020 1 127 15 15 LYS HD2 H 1.774 0.020 1 128 15 15 LYS HD3 H 1.774 0.020 1 129 15 15 LYS C C 175.532 0.3 1 130 15 15 LYS CA C 56.390 0.3 1 131 15 15 LYS CB C 33.301 0.3 1 132 15 15 LYS CD C 29.472 0.3 1 133 15 15 LYS N N 124.390 0.3 1 134 16 16 ILE H H 9.602 0.020 1 135 16 16 ILE HA H 5.333 0.020 1 136 16 16 ILE HB H 1.924 0.020 1 137 16 16 ILE HG2 H 0.791 0.020 1 138 16 16 ILE HD1 H 0.791 0.020 1 139 16 16 ILE C C 174.324 0.3 1 140 16 16 ILE CA C 57.496 0.3 1 141 16 16 ILE CB C 40.876 0.3 1 142 16 16 ILE CG1 C 20.923 0.3 1 143 16 16 ILE CG2 C 18.072 0.3 1 144 16 16 ILE N N 128.155 0.3 1 145 17 17 VAL H H 8.394 0.020 1 146 17 17 VAL HA H 5.504 0.020 1 147 17 17 VAL HB H 2.052 0.020 1 148 17 17 VAL HG1 H 1.090 0.020 1 149 17 17 VAL HG2 H 1.090 0.020 1 150 17 17 VAL C C 172.845 0.3 1 151 17 17 VAL CA C 58.542 0.3 1 152 17 17 VAL CB C 35.454 0.3 1 153 17 17 VAL CG1 C 20.118 0.3 1 154 17 17 VAL CG2 C 20.118 0.3 1 155 17 17 VAL N N 123.369 0.3 1 156 18 18 MET H H 8.660 0.020 1 157 18 18 MET HA H 5.355 0.020 1 158 18 18 MET HB2 H 2.583 0.020 1 159 18 18 MET HB3 H 2.583 0.020 1 160 18 18 MET HG2 H 2.434 0.020 1 161 18 18 MET HG3 H 2.434 0.020 1 162 18 18 MET C C 174.842 0.3 1 163 18 18 MET CA C 53.089 0.3 1 164 18 18 MET CB C 32.707 0.3 1 165 18 18 MET CG C 30.957 0.3 1 166 18 18 MET N N 123.589 0.3 1 167 19 19 LEU H H 8.920 0.020 1 168 19 19 LEU HA H 4.417 0.020 1 169 19 19 LEU HB2 H 1.986 0.020 1 170 19 19 LEU HB3 H 1.986 0.020 1 171 19 19 LEU HG H 1.986 0.020 1 172 19 19 LEU HD1 H 1.026 0.020 2 173 19 19 LEU HD2 H 0.664 0.020 2 174 19 19 LEU C C 174.842 0.3 1 175 19 19 LEU CA C 53.149 0.3 1 176 19 19 LEU CB C 46.393 0.3 1 177 19 19 LEU N N 123.939 0.3 1 178 20 20 GLY H H 7.570 0.020 1 179 20 20 GLY HA2 H 4.907 0.020 2 180 20 20 GLY HA3 H 3.500 0.020 2 181 20 20 GLY C C 173.314 0.3 1 182 20 20 GLY CA C 44.551 0.3 1 183 20 20 GLY N N 105.966 0.3 1 184 21 21 GLU H H 9.276 0.020 1 185 21 21 GLU HB2 H 2.393 0.020 1 186 21 21 GLU HB3 H 2.393 0.020 1 187 21 21 GLU HG2 H 2.840 0.020 1 188 21 21 GLU HG3 H 2.840 0.020 1 189 21 21 GLU C C 176.518 0.3 1 190 21 21 GLU CA C 56.538 0.3 1 191 21 21 GLU CB C 31.148 0.3 1 192 21 21 GLU CG C 35.783 0.3 1 193 21 21 GLU N N 121.934 0.3 1 194 22 22 SER H H 8.751 0.020 1 195 22 22 SER HA H 5.098 0.020 1 196 22 22 SER HB2 H 3.793 0.020 1 197 22 22 SER HB3 H 3.793 0.020 1 198 22 22 SER C C 176.690 0.3 1 199 22 22 SER CA C 59.795 0.3 1 200 22 22 SER CB C 62.892 0.3 1 201 22 22 SER N N 119.467 0.3 1 202 23 23 GLY H H 8.181 0.020 1 203 23 23 GLY HA2 H 4.534 0.020 2 204 23 23 GLY HA3 H 3.722 0.020 2 205 23 23 GLY C C 173.116 0.3 1 206 23 23 GLY CA C 45.285 0.3 1 207 23 23 GLY N N 115.348 0.3 1 208 24 24 ALA H H 7.894 0.020 1 209 24 24 ALA HA H 4.016 0.020 1 210 24 24 ALA HB H 1.276 0.020 1 211 24 24 ALA C C 176.148 0.3 1 212 24 24 ALA CA C 55.367 0.3 1 213 24 24 ALA CB C 19.515 0.3 1 214 24 24 ALA N N 122.242 0.3 1 215 25 25 GLY H H 8.442 0.020 1 216 25 25 GLY HA2 H 4.392 0.020 2 217 25 25 GLY HA3 H 3.852 0.020 2 218 25 25 GLY C C 173.930 0.3 1 219 25 25 GLY CA C 45.770 0.3 1 220 25 25 GLY N N 100.814 0.3 1 221 26 26 LYS H H 9.505 0.020 1 222 26 26 LYS HA H 3.585 0.020 1 223 26 26 LYS HB2 H 1.666 0.020 1 224 26 26 LYS HB3 H 1.666 0.020 1 225 26 26 LYS HG2 H 1.098 0.020 1 226 26 26 LYS HG3 H 1.098 0.020 1 227 26 26 LYS HD2 H 1.402 0.020 1 228 26 26 LYS HD3 H 1.402 0.020 1 229 26 26 LYS C C 177.701 0.3 1 230 26 26 LYS CA C 60.604 0.3 1 231 26 26 LYS CB C 30.406 0.3 1 232 26 26 LYS N N 124.215 0.3 1 233 27 27 SER H H 9.129 0.020 1 234 27 27 SER C C 176.518 0.3 1 235 27 27 SER CA C 61.111 0.3 1 236 27 27 SER CB C 65.876 0.3 1 237 27 27 SER N N 116.238 0.3 1 238 28 28 SER H H 8.244 0.020 1 239 28 28 SER HA H 4.402 0.020 1 240 28 28 SER HB2 H 3.633 0.020 1 241 28 28 SER HB3 H 3.633 0.020 1 242 28 28 SER C C 176.641 0.3 1 243 28 28 SER CA C 62.219 0.3 1 244 28 28 SER CB C 69.332 0.3 1 245 28 28 SER N N 118.840 0.3 1 246 29 29 ILE H H 8.908 0.020 1 247 29 29 ILE HA H 3.542 0.020 1 248 29 29 ILE HB H 1.991 0.020 1 249 29 29 ILE HG12 H 1.602 0.020 1 250 29 29 ILE HG13 H 1.602 0.020 1 251 29 29 ILE HG2 H 0.856 0.020 1 252 29 29 ILE HD1 H 0.856 0.020 1 253 29 29 ILE C C 176.715 0.3 1 254 29 29 ILE CA C 66.198 0.3 1 255 29 29 ILE CB C 37.668 0.3 1 256 29 29 ILE N N 124.661 0.3 1 257 30 30 ALA H H 8.245 0.020 1 258 30 30 ALA HA H 3.927 0.020 1 259 30 30 ALA HB H 1.436 0.020 1 260 30 30 ALA C C 180.288 0.3 1 261 30 30 ALA CA C 56.093 0.3 1 262 30 30 ALA CB C 18.527 0.3 1 263 30 30 ALA N N 120.813 0.3 1 264 31 31 LEU H H 9.044 0.020 1 265 31 31 LEU HA H 3.883 0.020 1 266 31 31 LEU HB2 H 1.598 0.020 2 267 31 31 LEU HB3 H 1.529 0.020 2 268 31 31 LEU HG H 1.529 0.020 1 269 31 31 LEU HD1 H 1.125 0.020 1 270 31 31 LEU HD2 H 1.125 0.020 1 271 31 31 LEU C C 179.499 0.3 1 272 31 31 LEU CA C 57.930 0.3 1 273 31 31 LEU CB C 41.620 0.3 1 274 31 31 LEU CG C 27.283 0.3 1 275 31 31 LEU CD1 C 24.980 0.3 1 276 31 31 LEU CD2 C 24.980 0.3 1 277 31 31 LEU N N 122.016 0.3 1 278 32 32 ARG H H 8.320 0.020 1 279 32 32 ARG HA H 4.285 0.020 1 280 32 32 ARG HB2 H 2.263 0.020 1 281 32 32 ARG HB3 H 2.263 0.020 1 282 32 32 ARG C C 178.859 0.3 1 283 32 32 ARG CA C 58.110 0.3 1 284 32 32 ARG CB C 28.649 0.3 1 285 32 32 ARG CG C 26.296 0.3 1 286 32 32 ARG N N 121.616 0.3 1 287 33 33 PHE H H 8.154 0.020 1 288 33 33 PHE HA H 4.346 0.020 1 289 33 33 PHE HB2 H 2.736 0.020 2 290 33 33 PHE HB3 H 2.162 0.020 2 291 33 33 PHE C C 176.368 0.3 1 292 33 33 PHE CA C 59.986 0.3 1 293 33 33 PHE CB C 40.205 0.3 1 294 33 33 PHE N N 117.950 0.3 1 295 34 34 THR H H 8.058 0.020 1 296 34 34 THR HA H 3.927 0.020 1 297 34 34 THR HB H 3.339 0.020 1 298 34 34 THR HG2 H 0.898 0.020 1 299 34 34 THR C C 176.641 0.3 1 300 34 34 THR CA C 64.924 0.3 1 301 34 34 THR CB C 69.159 0.3 1 302 34 34 THR CG2 C 22.939 0.3 1 303 34 34 THR N N 105.674 0.3 1 304 35 35 ARG H H 8.042 0.020 1 305 35 35 ARG HA H 4.552 0.020 1 306 35 35 ARG HG2 H 1.539 0.020 1 307 35 35 ARG HG3 H 1.539 0.020 1 308 35 35 ARG HD2 H 3.099 0.020 1 309 35 35 ARG HD3 H 3.099 0.020 1 310 35 35 ARG C C 175.556 0.3 1 311 35 35 ARG CA C 55.411 0.3 1 312 35 35 ARG CB C 32.504 0.3 1 313 35 35 ARG CG C 27.283 0.3 1 314 35 35 ARG CD C 43.355 0.3 1 315 35 35 ARG N N 119.254 0.3 1 316 36 36 ASN H H 7.733 0.020 1 317 36 36 ASN HA H 4.893 0.020 1 318 36 36 ASN HB2 H 3.286 0.020 2 319 36 36 ASN HB3 H 2.458 0.020 2 320 36 36 ASN C C 173.609 0.3 1 321 36 36 ASN CA C 54.026 0.3 1 322 36 36 ASN CB C 37.054 0.3 1 323 36 36 ASN N N 118.164 0.3 1 324 37 37 GLU H H 6.741 0.020 1 325 37 37 GLU HA H 4.573 0.020 1 326 37 37 GLU HB2 H 1.344 0.020 1 327 37 37 GLU HB3 H 1.344 0.020 1 328 37 37 GLU HG2 H 2.048 0.020 1 329 37 37 GLU HG3 H 2.048 0.020 1 330 37 37 GLU C C 173.609 0.3 1 331 37 37 GLU CA C 54.465 0.3 1 332 37 37 GLU CB C 35.836 0.3 1 333 37 37 GLU N N 115.913 0.3 1 334 38 38 PHE H H 8.093 0.020 1 335 38 38 PHE HA H 4.374 0.020 1 336 38 38 PHE HB2 H 2.842 0.020 2 337 38 38 PHE HB3 H 2.586 0.020 2 338 38 38 PHE C C 172.968 0.3 1 339 38 38 PHE CA C 58.042 0.3 1 340 38 38 PHE CB C 42.258 0.3 1 341 38 38 PHE N N 118.584 0.3 1 342 39 39 LEU H H 8.538 0.020 1 343 39 39 LEU HA H 4.331 0.020 1 344 39 39 LEU HB2 H 1.218 0.020 1 345 39 39 LEU HB3 H 1.218 0.020 1 346 39 39 LEU HG H 1.218 0.020 1 347 39 39 LEU HD1 H 0.706 0.020 1 348 39 39 LEU HD2 H 0.706 0.020 1 349 39 39 LEU C C 176.122 0.3 1 350 39 39 LEU CA C 53.089 0.3 1 351 39 39 LEU CB C 42.729 0.3 1 352 39 39 LEU CG C 28.380 0.3 1 353 39 39 LEU CD1 C 24.871 0.3 1 354 39 39 LEU CD2 C 24.871 0.3 1 355 39 39 LEU N N 129.437 0.3 1 356 40 40 ALA H H 8.585 0.020 1 357 40 40 ALA HA H 3.903 0.020 1 358 40 40 ALA HB H 1.363 0.020 1 359 40 40 ALA C C 177.972 0.3 1 360 40 40 ALA CA C 53.699 0.3 1 361 40 40 ALA CB C 18.262 0.3 1 362 40 40 ALA N N 127.274 0.3 1 363 41 41 ASN H H 8.009 0.020 1 364 41 41 ASN HA H 4.797 0.020 1 365 41 41 ASN HB2 H 2.711 0.020 1 366 41 41 ASN HB3 H 2.711 0.020 1 367 41 41 ASN C C 173.880 0.3 1 368 41 41 ASN CA C 51.669 0.3 1 369 41 41 ASN CB C 37.446 0.3 1 370 41 41 ASN N N 114.688 0.3 1 371 42 42 GLN H H 6.657 0.020 1 372 42 42 GLN HA H 3.760 0.020 1 373 42 42 GLN HB2 H 1.986 0.020 1 374 42 42 GLN HB3 H 1.986 0.020 1 375 42 42 GLN HG2 H 2.178 0.020 1 376 42 42 GLN HG3 H 2.178 0.020 1 377 42 42 GLN C C 175.359 0.3 1 378 42 42 GLN CA C 55.912 0.3 1 379 42 42 GLN CB C 29.738 0.3 1 380 42 42 GLN CG C 33.630 0.3 1 381 42 42 GLN N N 119.738 0.3 1 382 43 43 GLU H H 8.626 0.020 1 383 43 43 GLU HA H 4.374 0.020 1 384 43 43 GLU HB2 H 1.538 0.020 1 385 43 43 GLU HB3 H 1.538 0.020 1 386 43 43 GLU HG2 H 2.324 0.020 1 387 43 43 GLU HG3 H 2.324 0.020 1 388 43 43 GLU C C 177.208 0.3 1 389 43 43 GLU CA C 56.251 0.3 1 390 43 43 GLU CB C 30.972 0.3 1 391 43 43 GLU CG C 36.377 0.3 1 392 43 43 GLU N N 128.436 0.3 1 393 44 44 THR H H 8.554 0.020 1 394 44 44 THR HA H 4.779 0.020 1 395 44 44 THR HB H 4.353 0.020 1 396 44 44 THR HG2 H 2.007 0.020 1 397 44 44 THR C C 173.412 0.3 1 398 44 44 THR CA C 63.657 0.3 1 399 44 44 THR CB C 69.827 0.3 1 400 44 44 THR N N 122.090 0.3 1 401 45 45 THR H H 9.254 0.020 1 402 45 45 THR HA H 4.779 0.020 1 403 45 45 THR HB H 4.246 0.020 1 404 45 45 THR HG2 H 1.359 0.020 1 405 45 45 THR C C 172.301 0.3 1 406 45 45 THR CA C 64.119 0.3 1 407 45 45 THR CB C 69.244 0.3 1 408 45 45 THR N N 128.926 0.3 1 409 46 46 ILE H H 8.336 0.020 1 410 46 46 ILE HA H 3.890 0.020 1 411 46 46 ILE CA C 59.508 0.3 1 412 46 46 ILE CB C 37.013 0.3 1 413 46 46 ILE N N 126.023 0.3 1 414 47 47 GLY HA2 H 3.858 0.020 2 415 47 47 GLY HA3 H 3.235 0.020 2 416 47 47 GLY C C 171.071 0.3 1 417 47 47 GLY CA C 45.978 0.3 1 418 48 48 ALA H H 8.016 0.020 1 419 48 48 ALA HA H 4.438 0.020 1 420 48 48 ALA HB H 0.855 0.020 1 421 48 48 ALA C C 176.148 0.3 1 422 48 48 ALA CA C 52.308 0.3 1 423 48 48 ALA CB C 20.866 0.3 1 424 48 48 ALA N N 126.056 0.3 1 425 49 49 ALA H H 8.708 0.020 1 426 49 49 ALA HA H 4.440 0.020 1 427 49 49 ALA HB H 1.373 0.020 1 428 49 49 ALA C C 174.201 0.3 1 429 49 49 ALA CA C 50.722 0.3 1 430 49 49 ALA CB C 22.269 0.3 1 431 49 49 ALA N N 125.025 0.3 1 432 50 50 PHE H H 8.303 0.020 1 433 50 50 PHE HA H 4.845 0.020 1 434 50 50 PHE HB2 H 2.372 0.020 2 435 50 50 PHE HB3 H 1.924 0.020 2 436 50 50 PHE C C 175.062 0.3 1 437 50 50 PHE CA C 56.185 0.3 1 438 50 50 PHE CB C 40.725 0.3 1 439 50 50 PHE N N 121.616 0.3 1 440 51 51 LEU H H 8.592 0.020 1 441 51 51 LEU HA H 4.445 0.020 1 442 51 51 LEU HB2 H 1.582 0.020 2 443 51 51 LEU HB3 H 1.496 0.020 2 444 51 51 LEU HG H 1.496 0.020 1 445 51 51 LEU HD1 H 1.005 0.020 2 446 51 51 LEU HD2 H 0.706 0.020 2 447 51 51 LEU C C 173.361 0.3 1 448 51 51 LEU CA C 54.258 0.3 1 449 51 51 LEU CB C 46.293 0.3 1 450 51 51 LEU N N 129.442 0.3 1 451 52 52 SER H H 8.054 0.020 1 452 52 52 SER HA H 4.112 0.020 1 453 52 52 SER HB2 H 3.570 0.020 1 454 52 52 SER HB3 H 3.570 0.020 1 455 52 52 SER C C 172.992 0.3 1 456 52 52 SER CA C 56.251 0.3 1 457 52 52 SER CB C 66.628 0.3 1 458 52 52 SER N N 111.345 0.3 1 459 53 53 LYS H H 7.983 0.020 1 460 53 53 LYS HA H 4.331 0.020 1 461 53 53 LYS HB2 H 1.496 0.020 1 462 53 53 LYS HB3 H 1.496 0.020 1 463 53 53 LYS HG2 H 0.834 0.020 1 464 53 53 LYS HG3 H 0.834 0.020 1 465 53 53 LYS HD2 H 1.176 0.020 1 466 53 53 LYS HD3 H 1.176 0.020 1 467 53 53 LYS HE2 H 2.520 0.020 1 468 53 53 LYS HE3 H 2.520 0.020 1 469 53 53 LYS C C 173.977 0.3 1 470 53 53 LYS CA C 56.509 0.3 1 471 53 53 LYS CB C 37.573 0.3 1 472 53 53 LYS CG C 24.549 0.3 1 473 53 53 LYS CD C 29.355 0.3 1 474 53 53 LYS CE C 42.319 0.3 1 475 53 53 LYS N N 121.202 0.3 1 476 54 54 THR H H 8.835 0.020 1 477 54 54 THR HA H 5.385 0.020 1 478 54 54 THR HB H 3.932 0.020 1 479 54 54 THR HG2 H 1.013 0.020 1 480 54 54 THR C C 173.756 0.3 1 481 54 54 THR CA C 62.166 0.3 1 482 54 54 THR CB C 69.222 0.3 1 483 54 54 THR CG2 C 21.468 0.3 1 484 54 54 THR N N 124.350 0.3 1 485 55 55 VAL H H 9.193 0.020 1 486 55 55 VAL HA H 4.480 0.020 1 487 55 55 VAL HB H 2.180 0.020 1 488 55 55 VAL HG1 H 0.975 0.020 1 489 55 55 VAL HG2 H 0.975 0.020 1 490 55 55 VAL C C 173.509 0.3 1 491 55 55 VAL CA C 59.675 0.3 1 492 55 55 VAL CB C 35.497 0.3 1 493 55 55 VAL CG1 C 21.818 0.3 1 494 55 55 VAL CG2 C 20.835 0.3 1 495 55 55 VAL N N 124.607 0.3 1 496 56 56 MET H H 8.407 0.020 1 497 56 56 MET HA H 5.235 0.020 1 498 56 56 MET HB2 H 1.902 0.020 1 499 56 56 MET HB3 H 1.902 0.020 1 500 56 56 MET HG2 H 2.437 0.020 1 501 56 56 MET HG3 H 2.437 0.020 1 502 56 56 MET C C 175.876 0.3 1 503 56 56 MET CA C 53.420 0.3 1 504 56 56 MET CB C 31.965 0.3 1 505 56 56 MET CG C 31.539 0.3 1 506 56 56 MET N N 122.071 0.3 1 507 57 57 ILE H H 9.043 0.020 1 508 57 57 ILE HA H 4.331 0.020 1 509 57 57 ILE HB H 1.730 0.020 1 510 57 57 ILE HG12 H 1.432 0.020 1 511 57 57 ILE HG13 H 1.432 0.020 1 512 57 57 ILE HG2 H 1.069 0.020 1 513 57 57 ILE HD1 H 0.877 0.020 1 514 57 57 ILE C C 175.432 0.3 1 515 57 57 ILE CA C 59.805 0.3 1 516 57 57 ILE CB C 40.167 0.3 1 517 57 57 ILE CG1 C 27.170 0.3 1 518 57 57 ILE CG2 C 17.226 0.3 1 519 57 57 ILE CD1 C 13.954 0.3 1 520 57 57 ILE N N 125.620 0.3 1 521 58 58 ASP H H 9.252 0.020 1 522 58 58 ASP HA H 4.225 0.020 1 523 58 58 ASP HB2 H 2.924 0.020 2 524 58 58 ASP HB3 H 2.561 0.020 2 525 58 58 ASP C C 175.900 0.3 1 526 58 58 ASP CA C 55.421 0.3 1 527 58 58 ASP CB C 39.959 0.3 1 528 58 58 ASP N N 128.187 0.3 1 529 59 59 GLY H H 8.458 0.020 1 530 59 59 GLY HA2 H 4.103 0.020 2 531 59 59 GLY HA3 H 3.569 0.020 2 532 59 59 GLY C C 173.287 0.3 1 533 59 59 GLY CA C 45.625 0.3 1 534 59 59 GLY N N 103.440 0.3 1 535 60 60 ARG H H 7.968 0.020 1 536 60 60 ARG HA H 4.608 0.020 1 537 60 60 ARG HB2 H 1.794 0.020 2 538 60 60 ARG HB3 H 1.796 0.020 2 539 60 60 ARG HG2 H 1.582 0.020 1 540 60 60 ARG HG3 H 1.582 0.020 1 541 60 60 ARG HD2 H 3.163 0.020 1 542 60 60 ARG HD3 H 3.163 0.020 1 543 60 60 ARG C C 173.854 0.3 1 544 60 60 ARG CA C 54.598 0.3 1 545 60 60 ARG CB C 32.930 0.3 1 546 60 60 ARG CG C 26.954 0.3 1 547 60 60 ARG CD C 43.728 0.3 1 548 60 60 ARG N N 120.992 0.3 1 549 61 61 ALA H H 8.447 0.020 1 550 61 61 ALA HA H 4.907 0.020 1 551 61 61 ALA HB H 1.218 0.020 1 552 61 61 ALA C C 175.999 0.3 1 553 61 61 ALA CA C 51.893 0.3 1 554 61 61 ALA CB C 19.789 0.3 1 555 61 61 ALA N N 126.556 0.3 1 556 62 62 LEU H H 9.111 0.020 1 557 62 62 LEU HA H 4.701 0.020 1 558 62 62 LEU HB2 H 1.580 0.020 2 559 62 62 LEU HB3 H 1.219 0.020 2 560 62 62 LEU HG H 1.219 0.020 1 561 62 62 LEU HD1 H 0.535 0.020 1 562 62 62 LEU HD2 H 0.535 0.020 1 563 62 62 LEU C C 174.027 0.3 1 564 62 62 LEU CA C 53.760 0.3 1 565 62 62 LEU CB C 44.836 0.3 1 566 62 62 LEU CG C 27.694 0.3 1 567 62 62 LEU CD1 C 25.419 0.3 1 568 62 62 LEU CD2 C 23.982 0.3 1 569 62 62 LEU N N 127.451 0.3 1 570 63 63 LYS H H 8.761 0.020 1 571 63 63 LYS HA H 4.787 0.020 1 572 63 63 LYS HB2 H 1.774 0.020 1 573 63 63 LYS HB3 H 1.774 0.020 1 574 63 63 LYS HD2 H 1.582 0.020 1 575 63 63 LYS HD3 H 1.582 0.020 1 576 63 63 LYS HE2 H 2.842 0.020 1 577 63 63 LYS HE3 H 2.842 0.020 1 578 63 63 LYS C C 175.259 0.3 1 579 63 63 LYS CA C 55.350 0.3 1 580 63 63 LYS CB C 33.740 0.3 1 581 63 63 LYS CG C 25.021 0.3 1 582 63 63 LYS CD C 29.624 0.3 1 583 63 63 LYS N N 126.891 0.3 1 584 64 64 TYR H H 9.283 0.020 1 585 64 64 TYR HA H 4.808 0.020 1 586 64 64 TYR HB2 H 3.206 0.020 2 587 64 64 TYR HB3 H 2.586 0.020 2 588 64 64 TYR C C 175.532 0.3 1 589 64 64 TYR CA C 58.839 0.3 1 590 64 64 TYR CB C 39.451 0.3 1 591 64 64 TYR N N 126.365 0.3 1 592 65 65 GLU H H 8.956 0.020 1 593 65 65 GLU HA H 4.295 0.020 1 594 65 65 GLU HB2 H 2.073 0.020 1 595 65 65 GLU HB3 H 2.073 0.020 1 596 65 65 GLU HG2 H 2.308 0.020 1 597 65 65 GLU HG3 H 2.308 0.020 1 598 65 65 GLU C C 173.756 0.3 1 599 65 65 GLU CA C 55.870 0.3 1 600 65 65 GLU CB C 31.148 0.3 1 601 65 65 GLU N N 125.996 0.3 1 602 66 66 ILE H H 8.647 0.020 1 603 66 66 ILE HA H 4.829 0.020 1 604 66 66 ILE HB H 1.646 0.020 1 605 66 66 ILE HG12 H 1.496 0.020 1 606 66 66 ILE HG13 H 1.496 0.020 1 607 66 66 ILE HG2 H 0.770 0.020 1 608 66 66 ILE HD1 H 0.770 0.020 1 609 66 66 ILE C C 173.904 0.3 1 610 66 66 ILE CA C 59.963 0.3 1 611 66 66 ILE CB C 40.502 0.3 1 612 66 66 ILE CG1 C 28.928 0.3 1 613 66 66 ILE CG2 C 17.195 0.3 1 614 66 66 ILE CD1 C 12.589 0.3 1 615 66 66 ILE N N 124.141 0.3 1 616 67 67 TRP H H 8.986 0.020 1 617 67 67 TRP HA H 5.128 0.020 1 618 67 67 TRP HB2 H 3.120 0.020 2 619 67 67 TRP HB3 H 2.757 0.020 2 620 67 67 TRP C C 174.176 0.3 1 621 67 67 TRP CA C 56.261 0.3 1 622 67 67 TRP CB C 30.395 0.3 1 623 67 67 TRP N N 126.012 0.3 1 624 68 68 ASP H H 9.393 0.020 1 625 68 68 ASP HA H 4.488 0.020 1 626 68 68 ASP HB2 H 2.757 0.020 2 627 68 68 ASP HB3 H 2.351 0.020 2 628 68 68 ASP C C 176.000 0.3 1 629 68 68 ASP CA C 53.095 0.3 1 630 68 68 ASP CB C 41.616 0.3 1 631 68 68 ASP N N 127.106 0.3 1 632 69 69 THR H H 6.642 0.020 1 633 69 69 THR HA H 4.829 0.020 1 634 69 69 THR HB H 4.103 0.020 1 635 69 69 THR HG2 H 1.561 0.020 1 636 69 69 THR C C 173.240 0.3 1 637 69 69 THR CA C 61.192 0.3 1 638 69 69 THR CB C 71.089 0.3 1 639 69 69 THR CG2 C 19.168 0.3 1 640 69 69 THR N N 110.868 0.3 1 641 70 70 ALA H H 7.946 0.020 1 642 70 70 ALA HA H 4.274 0.020 1 643 70 70 ALA HB H 1.155 0.020 1 644 70 70 ALA C C 178.243 0.3 1 645 70 70 ALA CA C 52.686 0.3 1 646 70 70 ALA CB C 21.458 0.3 1 647 70 70 ALA N N 121.447 0.3 1 648 71 71 GLY H H 9.272 0.020 1 649 71 71 GLY CA C 46.184 0.3 1 650 71 71 GLY N N 113.398 0.3 1 651 74 74 ARG HA H 4.381 0.020 1 652 74 74 ARG HB2 H 2.306 0.020 1 653 74 74 ARG HB3 H 2.306 0.020 1 654 74 74 ARG HG2 H 2.028 0.020 2 655 74 74 ARG HG3 H 1.879 0.020 2 656 74 74 ARG HD2 H 3.692 0.020 1 657 74 74 ARG HD3 H 3.692 0.020 1 658 74 74 ARG C C 176.542 0.3 1 659 74 74 ARG CA C 63.254 0.3 1 660 74 74 ARG CB C 31.969 0.3 1 661 74 74 ARG CG C 27.498 0.3 1 662 74 74 ARG CD C 42.416 0.3 1 663 75 75 PHE H H 8.351 0.020 1 664 75 75 PHE HA H 4.289 0.020 1 665 75 75 PHE HB2 H 2.348 0.020 2 666 75 75 PHE HB3 H 2.007 0.020 2 667 75 75 PHE C C 175.507 0.3 1 668 75 75 PHE CA C 55.573 0.3 1 669 75 75 PHE CB C 32.862 0.3 1 670 75 75 PHE N N 120.575 0.3 1 671 76 76 ARG H H 8.612 0.020 1 672 76 76 ARG HA H 4.295 0.020 1 673 76 76 ARG HB2 H 2.330 0.020 1 674 76 76 ARG HB3 H 2.330 0.020 1 675 76 76 ARG HG2 H 1.988 0.020 1 676 76 76 ARG HG3 H 1.988 0.020 1 677 76 76 ARG C C 175.606 0.3 1 678 76 76 ARG CA C 56.558 0.3 1 679 76 76 ARG CB C 30.554 0.3 1 680 76 76 ARG N N 123.281 0.3 1 681 77 77 SER HA H 4.210 0.020 1 682 77 77 SER HB2 H 3.975 0.020 1 683 77 77 SER HB3 H 3.975 0.020 1 684 77 77 SER C C 174.891 0.3 1 685 77 77 SER CA C 60.375 0.3 1 686 77 77 SER CB C 62.737 0.3 1 687 78 78 LEU H H 7.812 0.020 1 688 78 78 LEU HA H 4.425 0.020 1 689 78 78 LEU HB2 H 2.101 0.020 1 690 78 78 LEU HB3 H 2.101 0.020 1 691 78 78 LEU HG H 2.101 0.020 1 692 78 78 LEU C C 176.960 0.3 1 693 78 78 LEU CA C 55.499 0.3 1 694 78 78 LEU CB C 42.581 0.3 1 695 78 78 LEU N N 120.861 0.3 1 696 80 80 PRO HB2 H 2.073 0.020 1 697 80 80 PRO HB3 H 2.073 0.020 1 698 80 80 PRO HD2 H 3.462 0.020 1 699 80 80 PRO HD3 H 3.462 0.020 1 700 80 80 PRO C C 177.528 0.3 1 701 80 80 PRO CA C 64.641 0.3 1 702 80 80 PRO CB C 31.297 0.3 1 703 81 81 ILE H H 7.158 0.020 1 704 81 81 ILE HA H 3.311 0.020 1 705 81 81 ILE HB H 1.272 0.020 1 706 81 81 ILE HG12 H 1.098 0.020 1 707 81 81 ILE HG13 H 1.098 0.020 1 708 81 81 ILE HG2 H 0.144 0.020 1 709 81 81 ILE HD1 H 0.144 0.020 1 710 81 81 ILE C C 177.010 0.3 1 711 81 81 ILE CA C 63.517 0.3 1 712 81 81 ILE CB C 37.292 0.3 1 713 81 81 ILE CG2 C 16.537 0.3 1 714 81 81 ILE CD1 C 11.931 0.3 1 715 81 81 ILE N N 113.926 0.3 1 716 82 82 TYR H H 7.177 0.020 1 717 82 82 TYR HA H 4.039 0.020 1 718 82 82 TYR HB2 H 2.848 0.020 2 719 82 82 TYR HB3 H 2.588 0.020 2 720 82 82 TYR C C 176.738 0.3 1 721 82 82 TYR CA C 58.850 0.3 1 722 82 82 TYR CB C 39.240 0.3 1 723 82 82 TYR N N 117.161 0.3 1 724 83 83 TYR H H 7.933 0.020 1 725 83 83 TYR HA H 4.830 0.020 1 726 83 83 TYR HB2 H 3.334 0.020 2 727 83 83 TYR HB3 H 2.565 0.020 2 728 83 83 TYR C C 177.676 0.3 1 729 83 83 TYR CA C 57.340 0.3 1 730 83 83 TYR CB C 39.240 0.3 1 731 83 83 TYR N N 111.962 0.3 1 732 84 84 ARG H H 7.906 0.020 1 733 84 84 ARG HA H 4.338 0.020 1 734 84 84 ARG HB2 H 1.838 0.020 1 735 84 84 ARG HB3 H 1.838 0.020 1 736 84 84 ARG HG2 H 1.667 0.020 1 737 84 84 ARG HG3 H 1.667 0.020 1 738 84 84 ARG HD2 H 3.142 0.020 1 739 84 84 ARG HD3 H 3.142 0.020 1 740 84 84 ARG C C 176.813 0.3 1 741 84 84 ARG CA C 59.062 0.3 1 742 84 84 ARG CB C 29.292 0.3 1 743 84 84 ARG CD C 43.429 0.3 1 744 84 84 ARG N N 125.378 0.3 1 745 85 85 GLY H H 8.352 0.020 1 746 85 85 GLY HA2 H 4.146 0.020 2 747 85 85 GLY HA3 H 3.953 0.020 2 748 85 85 GLY C C 173.979 0.3 1 749 85 85 GLY CA C 45.179 0.3 1 750 85 85 GLY N N 110.493 0.3 1 751 86 86 ALA H H 7.227 0.020 1 752 86 86 ALA HA H 4.246 0.020 1 753 86 86 ALA HB H 1.602 0.020 1 754 86 86 ALA C C 176.394 0.3 1 755 86 86 ALA CA C 52.411 0.3 1 756 86 86 ALA CB C 19.121 0.3 1 757 86 86 ALA N N 122.282 0.3 1 758 87 87 SER H H 9.536 0.020 1 759 87 87 SER HA H 4.744 0.020 1 760 87 87 SER HB2 H 4.103 0.020 2 761 87 87 SER HB3 H 3.804 0.020 2 762 87 87 SER C C 175.261 0.3 1 763 87 87 SER CA C 59.948 0.3 1 764 87 87 SER CB C 63.962 0.3 1 765 87 87 SER N N 115.487 0.3 1 766 88 88 GLY H H 8.078 0.020 1 767 88 88 GLY HA2 H 5.299 0.020 2 768 88 88 GLY HA3 H 3.398 0.020 2 769 88 88 GLY C C 170.132 0.3 1 770 88 88 GLY CA C 45.034 0.3 1 771 88 88 GLY N N 107.238 0.3 1 772 89 89 ALA H H 9.321 0.020 1 773 89 89 ALA HA H 5.452 0.020 1 774 89 89 ALA HB H 1.069 0.020 1 775 89 89 ALA C C 174.299 0.3 1 776 89 89 ALA CA C 50.283 0.3 1 777 89 89 ALA CB C 23.248 0.3 1 778 89 89 ALA N N 122.786 0.3 1 779 90 90 LEU H H 8.651 0.020 1 780 90 90 LEU HA H 4.893 0.020 1 781 90 90 LEU HB2 H 1.011 0.020 2 782 90 90 LEU HB3 H 1.561 0.020 2 783 90 90 LEU HG H 1.011 0.020 1 784 90 90 LEU HD1 H 0.173 0.020 1 785 90 90 LEU HD2 H 0.173 0.020 1 786 90 90 LEU C C 174.620 0.3 1 787 90 90 LEU CA C 53.568 0.3 1 788 90 90 LEU CB C 42.403 0.3 1 789 90 90 LEU CG C 28.380 0.3 1 790 90 90 LEU CD1 C 25.748 0.3 1 791 90 90 LEU CD2 C 24.761 0.3 1 792 90 90 LEU N N 123.253 0.3 1 793 91 91 VAL H H 8.848 0.020 1 794 91 91 VAL HA H 4.552 0.020 1 795 91 91 VAL HB H 1.967 0.020 1 796 91 91 VAL HG1 H 0.941 0.020 2 797 91 91 VAL HG2 H 0.706 0.020 2 798 91 91 VAL C C 174.152 0.3 1 799 91 91 VAL CA C 61.263 0.3 1 800 91 91 VAL CB C 31.876 0.3 1 801 91 91 VAL CG1 C 21.455 0.3 1 802 91 91 VAL CG2 C 21.455 0.3 1 803 91 91 VAL N N 125.190 0.3 1 804 92 92 VAL H H 8.944 0.020 1 805 92 92 VAL HA H 5.193 0.020 1 806 92 92 VAL HB H 1.646 0.020 1 807 92 92 VAL HG1 H 0.663 0.020 1 808 92 92 VAL HG2 H 0.663 0.020 1 809 92 92 VAL C C 175.630 0.3 1 810 92 92 VAL CA C 60.421 0.3 1 811 92 92 VAL CB C 34.045 0.3 1 812 92 92 VAL CG1 C 22.126 0.3 1 813 92 92 VAL CG2 C 22.126 0.3 1 814 92 92 VAL N N 127.629 0.3 1 815 93 93 TYR H H 9.260 0.020 1 816 93 93 TYR HA H 4.822 0.020 1 817 93 93 TYR HB2 H 2.479 0.020 1 818 93 93 TYR HB3 H 2.479 0.020 1 819 93 93 TYR C C 170.036 0.3 1 820 93 93 TYR CA C 55.891 0.3 1 821 93 93 TYR CB C 39.959 0.3 1 822 93 93 TYR N N 123.838 0.3 1 823 94 94 ASP H H 8.940 0.020 1 824 94 94 ASP HA H 4.787 0.020 1 825 94 94 ASP HB2 H 3.013 0.020 2 826 94 94 ASP HB3 H 2.607 0.020 2 827 94 94 ASP C C 177.553 0.3 1 828 94 94 ASP CA C 51.267 0.3 1 829 94 94 ASP CB C 43.854 0.3 1 830 94 94 ASP N N 121.500 0.3 1 831 95 95 ILE H H 8.711 0.020 1 832 95 95 ILE HA H 4.103 0.020 1 833 95 95 ILE HB H 0.983 0.020 1 834 95 95 ILE HG12 H 0.983 0.020 1 835 95 95 ILE HG13 H 0.983 0.020 1 836 95 95 ILE HG2 H -0.117 0.020 1 837 95 95 ILE HD1 H -0.348 0.020 1 838 95 95 ILE C C 177.060 0.3 1 839 95 95 ILE CA C 64.833 0.3 1 840 95 95 ILE CB C 38.714 0.3 1 841 95 95 ILE CG2 C 19.607 0.3 1 842 95 95 ILE CD1 C 16.109 0.3 1 843 95 95 ILE N N 120.756 0.3 1 844 96 96 THR H H 9.383 0.020 1 845 96 96 THR HA H 4.594 0.020 1 846 96 96 THR HB H 4.509 0.020 1 847 96 96 THR HG2 H 1.261 0.020 1 848 96 96 THR C C 172.895 0.3 1 849 96 96 THR CA C 62.166 0.3 1 850 96 96 THR CB C 69.844 0.3 1 851 96 96 THR CG2 C 24.573 0.3 1 852 96 96 THR N N 113.474 0.3 1 853 97 97 ASN H H 8.113 0.020 1 854 97 97 ASN HA H 5.150 0.020 1 855 97 97 ASN HB2 H 2.864 0.020 1 856 97 97 ASN HB3 H 2.864 0.020 1 857 97 97 ASN C C 176.345 0.3 1 858 97 97 ASN CA C 51.208 0.3 1 859 97 97 ASN CB C 40.401 0.3 1 860 97 97 ASN N N 119.072 0.3 1 861 98 98 SER H H 9.760 0.020 1 862 98 98 SER HA H 3.991 0.020 1 863 98 98 SER HB2 H 3.875 0.020 1 864 98 98 SER HB3 H 3.875 0.020 1 865 98 98 SER C C 177.257 0.3 1 866 98 98 SER CA C 62.264 0.3 1 867 98 98 SER CB C 62.250 0.3 1 868 98 98 SER N N 124.134 0.3 1 869 99 99 GLU H H 8.202 0.020 1 870 99 99 GLU HA H 4.188 0.020 1 871 99 99 GLU HB2 H 2.180 0.020 1 872 99 99 GLU HB3 H 2.180 0.020 1 873 99 99 GLU HG2 H 2.437 0.020 1 874 99 99 GLU HG3 H 2.437 0.020 1 875 99 99 GLU C C 178.834 0.3 1 876 99 99 GLU CA C 59.053 0.3 1 877 99 99 GLU CB C 28.960 0.3 1 878 99 99 GLU CG C 36.080 0.3 1 879 99 99 GLU N N 122.674 0.3 1 880 100 100 SER H H 8.035 0.020 1 881 100 100 SER HA H 4.274 0.020 1 882 100 100 SER C C 177.356 0.3 1 883 100 100 SER CA C 61.848 0.3 1 884 100 100 SER CB C 62.996 0.3 1 885 100 100 SER N N 115.636 0.3 1 886 101 101 LEU H H 7.384 0.020 1 887 101 101 LEU HA H 3.847 0.020 1 888 101 101 LEU HB2 H 1.966 0.020 1 889 101 101 LEU HB3 H 1.966 0.020 1 890 101 101 LEU HG H 1.966 0.020 1 891 101 101 LEU HD1 H 0.962 0.020 2 892 101 101 LEU HD2 H 0.549 0.020 2 893 101 101 LEU C C 177.799 0.3 1 894 101 101 LEU CA C 57.835 0.3 1 895 101 101 LEU CB C 41.308 0.3 1 896 101 101 LEU CG C 31.231 0.3 1 897 101 101 LEU CD1 C 24.980 0.3 1 898 101 101 LEU CD2 C 24.980 0.3 1 899 101 101 LEU N N 127.542 0.3 1 900 102 102 LYS H H 6.991 0.020 1 901 102 102 LYS HA H 4.169 0.020 1 902 102 102 LYS HB2 H 1.988 0.020 1 903 102 102 LYS HB3 H 1.988 0.020 1 904 102 102 LYS HD2 H 1.646 0.020 1 905 102 102 LYS HD3 H 1.646 0.020 1 906 102 102 LYS HE2 H 3.008 0.020 1 907 102 102 LYS HE3 H 3.008 0.020 1 908 102 102 LYS C C 180.239 0.3 1 909 102 102 LYS CA C 59.260 0.3 1 910 102 102 LYS CB C 31.658 0.3 1 911 102 102 LYS CG C 25.315 0.3 1 912 102 102 LYS CD C 29.175 0.3 1 913 102 102 LYS N N 119.534 0.3 1 914 103 103 LYS H H 8.014 0.020 1 915 103 103 LYS HA H 4.231 0.020 1 916 103 103 LYS HB2 H 2.116 0.020 1 917 103 103 LYS HB3 H 2.116 0.020 1 918 103 103 LYS HD2 H 1.731 0.020 1 919 103 103 LYS HD3 H 1.731 0.020 1 920 103 103 LYS HE2 H 3.036 0.020 1 921 103 103 LYS HE3 H 3.036 0.020 1 922 103 103 LYS C C 179.574 0.3 1 923 103 103 LYS CA C 57.600 0.3 1 924 103 103 LYS CB C 30.828 0.3 1 925 103 103 LYS CG C 26.948 0.3 1 926 103 103 LYS N N 117.915 0.3 1 927 104 104 ALA H H 8.065 0.020 1 928 104 104 ALA HA H 4.188 0.020 1 929 104 104 ALA HB H 1.582 0.020 1 930 104 104 ALA C C 179.007 0.3 1 931 104 104 ALA CA C 55.866 0.3 1 932 104 104 ALA CB C 17.857 0.3 1 933 104 104 ALA N N 124.175 0.3 1 934 105 105 GLN H H 7.971 0.020 1 935 105 105 GLN HA H 3.783 0.020 1 936 105 105 GLN HB2 H 2.082 0.020 1 937 105 105 GLN HB3 H 2.082 0.020 1 938 105 105 GLN HG2 H 2.443 0.020 1 939 105 105 GLN HG3 H 2.443 0.020 1 940 105 105 GLN C C 177.626 0.3 1 941 105 105 GLN CA C 60.461 0.3 1 942 105 105 GLN CB C 28.126 0.3 1 943 105 105 GLN CG C 34.372 0.3 1 944 105 105 GLN N N 117.691 0.3 1 945 106 106 THR H H 7.862 0.020 1 946 106 106 THR HA H 4.103 0.020 1 947 106 106 THR HB H 3.932 0.020 1 948 106 106 THR HG2 H 1.155 0.020 1 949 106 106 THR C C 177.775 0.3 1 950 106 106 THR CA C 66.061 0.3 1 951 106 106 THR CB C 68.461 0.3 1 952 106 106 THR CG2 C 21.603 0.3 1 953 106 106 THR N N 113.635 0.3 1 954 107 107 TRP H H 7.930 0.020 1 955 107 107 TRP HA H 4.423 0.020 1 956 107 107 TRP HB2 H 3.505 0.020 2 957 107 107 TRP HB3 H 3.013 0.020 2 958 107 107 TRP C C 177.946 0.3 1 959 107 107 TRP CA C 60.606 0.3 1 960 107 107 TRP CB C 30.257 0.3 1 961 107 107 TRP N N 123.960 0.3 1 962 108 108 ILE H H 8.276 0.020 1 963 108 108 ILE HA H 3.462 0.020 1 964 108 108 ILE HB H 1.988 0.020 1 965 108 108 ILE HG12 H 1.988 0.020 1 966 108 108 ILE HG13 H 1.988 0.020 1 967 108 108 ILE HG2 H 0.941 0.020 1 968 108 108 ILE HD1 H 0.941 0.020 1 969 108 108 ILE C C 177.158 0.3 1 970 108 108 ILE CA C 66.412 0.3 1 971 108 108 ILE CB C 38.424 0.3 1 972 108 108 ILE CG2 C 18.511 0.3 1 973 108 108 ILE CD1 C 18.485 0.3 1 974 108 108 ILE N N 119.747 0.3 1 975 109 109 LYS H H 8.068 0.020 1 976 109 109 LYS HA H 3.953 0.020 1 977 109 109 LYS HB2 H 1.817 0.020 1 978 109 109 LYS HB3 H 1.817 0.020 1 979 109 109 LYS HD2 H 1.539 0.020 1 980 109 109 LYS HD3 H 1.539 0.020 1 981 109 109 LYS C C 179.820 0.3 1 982 109 109 LYS CA C 59.468 0.3 1 983 109 109 LYS CB C 32.073 0.3 1 984 109 109 LYS N N 116.821 0.3 1 985 110 110 GLU H H 7.845 0.020 1 986 110 110 GLU HA H 4.124 0.020 1 987 110 110 GLU C C 178.587 0.3 1 988 110 110 GLU CA C 59.582 0.3 1 989 110 110 GLU CB C 28.695 0.3 1 990 110 110 GLU N N 120.915 0.3 1 991 111 111 LEU H H 8.440 0.020 1 992 111 111 LEU HA H 5.257 0.020 1 993 111 111 LEU HB2 H 1.539 0.020 2 994 111 111 LEU HB3 H 1.069 0.020 2 995 111 111 LEU HG H 1.069 0.020 1 996 111 111 LEU HD1 H 0.492 0.020 1 997 111 111 LEU HD2 H 0.492 0.020 1 998 111 111 LEU C C 180.098 0.3 1 999 111 111 LEU CA C 57.368 0.3 1 1000 111 111 LEU CB C 42.025 0.3 1 1001 111 111 LEU CD1 C 25.529 0.3 1 1002 111 111 LEU CD2 C 25.529 0.3 1 1003 111 111 LEU N N 119.870 0.3 1 1004 112 112 ARG H H 8.296 0.020 1 1005 112 112 ARG HA H 3.975 0.020 1 1006 112 112 ARG HB2 H 1.838 0.020 1 1007 112 112 ARG HB3 H 1.838 0.020 1 1008 112 112 ARG HG2 H 1.667 0.020 1 1009 112 112 ARG HG3 H 1.667 0.020 1 1010 112 112 ARG HD2 H 3.163 0.020 1 1011 112 112 ARG HD3 H 3.163 0.020 1 1012 112 112 ARG C C 178.094 0.3 1 1013 112 112 ARG CA C 59.053 0.3 1 1014 112 112 ARG CB C 29.738 0.3 1 1015 112 112 ARG CD C 42.761 0.3 1 1016 112 112 ARG N N 119.304 0.3 1 1017 113 113 ALA H H 7.548 0.020 1 1018 113 113 ALA HA H 4.359 0.020 1 1019 113 113 ALA HB H 1.432 0.020 1 1020 113 113 ALA C C 179.327 0.3 1 1021 113 113 ALA CA C 54.072 0.3 1 1022 113 113 ALA CB C 19.715 0.3 1 1023 113 113 ALA N N 118.964 0.3 1 1024 114 114 ASN H H 8.142 0.020 1 1025 114 114 ASN HA H 5.107 0.020 1 1026 114 114 ASN HB2 H 3.120 0.020 2 1027 114 114 ASN HB3 H 2.864 0.020 2 1028 114 114 ASN C C 174.766 0.3 1 1029 114 114 ASN CA C 54.045 0.3 1 1030 114 114 ASN CB C 42.403 0.3 1 1031 114 114 ASN N N 112.832 0.3 1 1032 115 115 ALA H H 8.334 0.020 1 1033 115 115 ALA HA H 4.289 0.020 1 1034 115 115 ALA HB H 1.559 0.020 1 1035 115 115 ALA C C 175.680 0.3 1 1036 115 115 ALA CA C 50.533 0.3 1 1037 115 115 ALA CB C 21.385 0.3 1 1038 115 115 ALA N N 122.684 0.3 1 1039 116 116 ASP H H 8.565 0.020 1 1040 116 116 ASP HA H 4.765 0.020 1 1041 116 116 ASP C C 175.802 0.3 1 1042 116 116 ASP CA C 53.568 0.3 1 1043 116 116 ASP CB C 42.655 0.3 1 1044 116 116 ASP N N 121.799 0.3 1 1045 117 117 PRO HA H 4.512 0.020 1 1046 117 117 PRO HB2 H 2.458 0.020 1 1047 117 117 PRO HB3 H 2.458 0.020 1 1048 117 117 PRO HG2 H 2.096 0.020 1 1049 117 117 PRO HG3 H 2.096 0.020 1 1050 117 117 PRO HD2 H 3.904 0.020 1 1051 117 117 PRO HD3 H 3.904 0.020 1 1052 117 117 PRO C C 179.327 0.3 1 1053 117 117 PRO CA C 64.749 0.3 1 1054 117 117 PRO CB C 31.942 0.3 1 1055 117 117 PRO CG C 27.283 0.3 1 1056 118 118 SER H H 8.700 0.020 1 1057 118 118 SER HA H 4.423 0.020 1 1058 118 118 SER HB2 H 3.996 0.020 1 1059 118 118 SER HB3 H 3.996 0.020 1 1060 118 118 SER C C 174.768 0.3 1 1061 118 118 SER CA C 58.741 0.3 1 1062 118 118 SER CB C 63.618 0.3 1 1063 118 118 SER N N 112.704 0.3 1 1064 119 119 LEU H H 7.670 0.020 1 1065 119 119 LEU HA H 3.889 0.020 1 1066 119 119 LEU HB2 H 1.774 0.020 1 1067 119 119 LEU HB3 H 1.774 0.020 1 1068 119 119 LEU HG H 1.774 0.020 1 1069 119 119 LEU HD1 H 0.706 0.020 1 1070 119 119 LEU HD2 H 0.706 0.020 1 1071 119 119 LEU C C 176.123 0.3 1 1072 119 119 LEU CA C 56.770 0.3 1 1073 119 119 LEU CB C 42.865 0.3 1 1074 119 119 LEU CD1 C 23.993 0.3 1 1075 119 119 LEU CD2 C 23.993 0.3 1 1076 119 119 LEU N N 125.263 0.3 1 1077 120 120 ILE H H 7.611 0.020 1 1078 120 120 ILE HA H 4.203 0.020 1 1079 120 120 ILE HB H 2.009 0.020 1 1080 120 120 ILE HG12 H 1.411 0.020 1 1081 120 120 ILE HG13 H 1.411 0.020 1 1082 120 120 ILE HG2 H 0.813 0.020 1 1083 120 120 ILE HD1 H 0.813 0.020 1 1084 120 120 ILE C C 174.472 0.3 1 1085 120 120 ILE CA C 60.770 0.3 1 1086 120 120 ILE CB C 38.610 0.3 1 1087 120 120 ILE CG2 C 18.114 0.3 1 1088 120 120 ILE N N 129.359 0.3 1 1089 121 121 ILE H H 8.839 0.020 1 1090 121 121 ILE HA H 4.872 0.020 1 1091 121 121 ILE HB H 1.817 0.020 1 1092 121 121 ILE HG12 H 1.817 0.020 1 1093 121 121 ILE HG13 H 1.817 0.020 1 1094 121 121 ILE HG2 H 0.791 0.020 1 1095 121 121 ILE HD1 H 0.791 0.020 1 1096 121 121 ILE C C 173.979 0.3 1 1097 121 121 ILE CA C 60.825 0.3 1 1098 121 121 ILE CB C 39.551 0.3 1 1099 121 121 ILE CG2 C 18.782 0.3 1 1100 121 121 ILE N N 127.506 0.3 1 1101 122 122 VAL H H 8.739 0.020 1 1102 122 122 VAL HA H 4.594 0.020 1 1103 122 122 VAL HB H 1.860 0.020 1 1104 122 122 VAL HG1 H 0.856 0.020 1 1105 122 122 VAL HG2 H 0.856 0.020 1 1106 122 122 VAL C C 173.215 0.3 1 1107 122 122 VAL CA C 60.609 0.3 1 1108 122 122 VAL CB C 34.875 0.3 1 1109 122 122 VAL CG1 C 21.800 0.3 1 1110 122 122 VAL CG2 C 21.800 0.3 1 1111 122 122 VAL N N 125.995 0.3 1 1112 123 123 LEU H H 8.191 0.020 1 1113 123 123 LEU HA H 5.321 0.020 1 1114 123 123 LEU HB2 H 2.244 0.020 2 1115 123 123 LEU HB3 H 1.368 0.020 2 1116 123 123 LEU HG H 1.368 0.020 1 1117 123 123 LEU HD1 H 1.048 0.020 2 1118 123 123 LEU HD2 H 0.898 0.020 2 1119 123 123 LEU C C 174.299 0.3 1 1120 123 123 LEU CA C 53.242 0.3 1 1121 123 123 LEU CB C 46.082 0.3 1 1122 123 123 LEU N N 128.991 0.3 1 1123 124 124 VAL H H 9.167 0.020 1 1124 124 124 VAL HA H 5.022 0.020 1 1125 124 124 VAL HB H 1.817 0.020 1 1126 124 124 VAL HG1 H 0.578 0.020 1 1127 124 124 VAL HG2 H 0.578 0.020 1 1128 124 124 VAL C C 173.708 0.3 1 1129 124 124 VAL CA C 59.805 0.3 1 1130 124 124 VAL CB C 35.602 0.3 1 1131 124 124 VAL CG1 C 22.129 0.3 1 1132 124 124 VAL CG2 C 22.129 0.3 1 1133 124 124 VAL N N 125.792 0.3 1 1134 125 125 GLY H H 9.110 0.020 1 1135 125 125 GLY HA2 H 4.054 0.020 2 1136 125 125 GLY HA3 H 2.689 0.020 2 1137 125 125 GLY C C 171.514 0.3 1 1138 125 125 GLY CA C 44.836 0.3 1 1139 125 125 GLY N N 114.667 0.3 1 1140 126 126 ASN H H 8.911 0.020 1 1141 126 126 ASN HA H 5.299 0.020 1 1142 126 126 ASN HB2 H 2.842 0.020 2 1143 126 126 ASN HB3 H 2.137 0.020 2 1144 126 126 ASN C C 173.905 0.3 1 1145 126 126 ASN CA C 51.193 0.3 1 1146 126 126 ASN CB C 42.432 0.3 1 1147 126 126 ASN N N 123.773 0.3 1 1148 127 127 LYS H H 7.450 0.020 1 1149 127 127 LYS C C 177.750 0.3 1 1150 127 127 LYS CA C 57.514 0.3 1 1151 127 127 LYS CB C 29.044 0.3 1 1152 127 127 LYS CG C 20.192 0.3 1 1153 127 127 LYS CD C 24.944 0.3 1 1154 127 127 LYS CE C 43.429 0.3 1 1155 127 127 LYS N N 110.504 0.3 1 1156 128 128 LYS H H 8.369 0.020 1 1157 128 128 LYS HA H 3.911 0.020 1 1158 128 128 LYS HB2 H 1.860 0.020 1 1159 128 128 LYS HB3 H 1.860 0.020 1 1160 128 128 LYS HD2 H 1.368 0.020 1 1161 128 128 LYS HD3 H 1.368 0.020 1 1162 128 128 LYS HE2 H 2.778 0.020 1 1163 128 128 LYS HE3 H 2.778 0.020 1 1164 128 128 LYS C C 175.063 0.3 1 1165 128 128 LYS CA C 58.430 0.3 1 1166 128 128 LYS CB C 32.025 0.3 1 1167 128 128 LYS CG C 24.322 0.3 1 1168 128 128 LYS CE C 39.124 0.3 1 1169 128 128 LYS N N 116.448 0.3 1 1170 129 129 ASP H H 8.422 0.020 1 1171 129 129 ASP HA H 4.423 0.020 1 1172 129 129 ASP HB2 H 2.650 0.020 2 1173 129 129 ASP HB3 H 2.330 0.020 2 1174 129 129 ASP C C 176.099 0.3 1 1175 129 129 ASP CA C 54.902 0.3 1 1176 129 129 ASP CB C 40.893 0.3 1 1177 129 129 ASP N N 114.161 0.3 1 1178 130 130 LEU H H 7.886 0.020 1 1179 130 130 LEU HA H 4.779 0.020 1 1180 130 130 LEU HB2 H 1.943 0.020 2 1181 130 130 LEU HB3 H 1.517 0.020 2 1182 130 130 LEU HG H 1.517 0.020 1 1183 130 130 LEU HD1 H 1.026 0.020 2 1184 130 130 LEU HD2 H 0.791 0.020 2 1185 130 130 LEU C C 178.144 0.3 1 1186 130 130 LEU CA C 52.754 0.3 1 1187 130 130 LEU CB C 39.648 0.3 1 1188 130 130 LEU CG C 26.726 0.3 1 1189 130 130 LEU CD1 C 22.020 0.3 1 1190 130 130 LEU CD2 C 22.020 0.3 1 1191 130 130 LEU N N 123.263 0.3 1 1192 131 131 GLY H H 7.509 0.020 1 1193 131 131 GLY HA2 H 4.103 0.020 2 1194 131 131 GLY HA3 H 3.654 0.020 2 1195 131 131 GLY C C 177.084 0.3 1 1196 131 131 GLY CA C 48.372 0.3 1 1197 131 131 GLY N N 106.477 0.3 1 1198 132 132 SER H H 8.549 0.020 1 1199 132 132 SER HA H 4.359 0.020 1 1200 132 132 SER HB2 H 3.975 0.020 1 1201 132 132 SER HB3 H 3.975 0.020 1 1202 132 132 SER C C 174.842 0.3 1 1203 132 132 SER CA C 60.386 0.3 1 1204 132 132 SER CB C 62.581 0.3 1 1205 132 132 SER N N 115.398 0.3 1 1206 133 133 LEU H H 7.624 0.020 1 1207 133 133 LEU HA H 4.594 0.020 1 1208 133 133 LEU HB2 H 2.650 0.020 2 1209 133 133 LEU HB3 H 1.817 0.020 2 1210 133 133 LEU HG H 1.817 0.020 1 1211 133 133 LEU HD1 H 0.962 0.020 1 1212 133 133 LEU HD2 H 0.962 0.020 1 1213 133 133 LEU C C 176.246 0.3 1 1214 133 133 LEU CA C 53.810 0.3 1 1215 133 133 LEU CB C 42.554 0.3 1 1216 133 133 LEU CG C 26.077 0.3 1 1217 133 133 LEU CD1 C 22.642 0.3 1 1218 133 133 LEU CD2 C 22.642 0.3 1 1219 133 133 LEU N N 121.345 0.3 1 1220 134 134 ARG H H 7.106 0.020 1 1221 134 134 ARG HA H 3.542 0.020 1 1222 134 134 ARG C C 176.148 0.3 1 1223 134 134 ARG CA C 58.845 0.3 1 1224 134 134 ARG CB C 32.177 0.3 1 1225 134 134 ARG N N 120.156 0.3 1 1226 135 135 GLN H H 9.428 0.020 1 1227 135 135 GLN HA H 4.608 0.020 1 1228 135 135 GLN HB2 H 2.437 0.020 1 1229 135 135 GLN HB3 H 2.437 0.020 1 1230 135 135 GLN HG2 H 2.736 0.020 1 1231 135 135 GLN HG3 H 2.736 0.020 1 1232 135 135 GLN C C 174.866 0.3 1 1233 135 135 GLN CA C 56.115 0.3 1 1234 135 135 GLN CB C 32.484 0.3 1 1235 135 135 GLN CG C 34.372 0.3 1 1236 135 135 GLN N N 124.412 0.3 1 1237 136 136 VAL H H 7.903 0.020 1 1238 136 136 VAL HA H 4.445 0.020 1 1239 136 136 VAL HB H 2.287 0.020 1 1240 136 136 VAL HG1 H 1.175 0.020 2 1241 136 136 VAL HG2 H 1.005 0.020 2 1242 136 136 VAL C C 175.039 0.3 1 1243 136 136 VAL CA C 60.713 0.3 1 1244 136 136 VAL CB C 34.356 0.3 1 1245 136 136 VAL CG1 C 23.162 0.3 1 1246 136 136 VAL CG2 C 20.813 0.3 1 1247 136 136 VAL N N 120.186 0.3 1 1248 137 137 SER H H 9.286 0.020 1 1249 137 137 SER HA H 4.445 0.020 1 1250 137 137 SER HB2 H 4.082 0.020 1 1251 137 137 SER HB3 H 4.082 0.020 1 1252 137 137 SER C C 176.173 0.3 1 1253 137 137 SER CA C 58.015 0.3 1 1254 137 137 SER CB C 65.175 0.3 1 1255 137 137 SER N N 123.207 0.3 1 1256 138 138 PHE H H 9.454 0.020 1 1257 138 138 PHE HA H 4.445 0.020 1 1258 138 138 PHE HB2 H 3.270 0.020 2 1259 138 138 PHE HB3 H 3.013 0.020 2 1260 138 138 PHE C C 177.232 0.3 1 1261 138 138 PHE CA C 62.269 0.3 1 1262 138 138 PHE CB C 39.441 0.3 1 1263 138 138 PHE N N 127.557 0.3 1 1264 139 139 GLU H H 8.831 0.020 1 1265 139 139 GLU HA H 3.905 0.020 1 1266 139 139 GLU HB2 H 2.328 0.020 1 1267 139 139 GLU HB3 H 2.328 0.020 1 1268 139 139 GLU HG2 H 2.458 0.020 1 1269 139 139 GLU HG3 H 2.458 0.020 1 1270 139 139 GLU C C 178.366 0.3 1 1271 139 139 GLU CA C 60.298 0.3 1 1272 139 139 GLU CB C 29.064 0.3 1 1273 139 139 GLU CG C 37.639 0.3 1 1274 139 139 GLU N N 116.400 0.3 1 1275 140 140 ASP H H 8.124 0.020 1 1276 140 140 ASP HA H 4.295 0.020 1 1277 140 140 ASP HB2 H 2.907 0.020 2 1278 140 140 ASP HB3 H 2.266 0.020 2 1279 140 140 ASP C C 179.377 0.3 1 1280 140 140 ASP CA C 57.463 0.3 1 1281 140 140 ASP CB C 40.271 0.3 1 1282 140 140 ASP N N 121.024 0.3 1 1283 141 141 GLY H H 7.184 0.020 1 1284 141 141 GLY HA2 H 3.483 0.020 2 1285 141 141 GLY HA3 H 3.142 0.020 2 1286 141 141 GLY C C 173.708 0.3 1 1287 141 141 GLY CA C 47.163 0.3 1 1288 141 141 GLY N N 108.177 0.3 1 1289 142 142 GLN H H 7.464 0.020 1 1290 142 142 GLN HA H 4.317 0.020 1 1291 142 142 GLN HB2 H 2.116 0.020 1 1292 142 142 GLN HB3 H 2.116 0.020 1 1293 142 142 GLN HG2 H 2.907 0.020 1 1294 142 142 GLN HG3 H 2.907 0.020 1 1295 142 142 GLN C C 178.637 0.3 1 1296 142 142 GLN CA C 58.638 0.3 1 1297 142 142 GLN CB C 29.271 0.3 1 1298 142 142 GLN CG C 34.446 0.3 1 1299 142 142 GLN N N 121.081 0.3 1 1300 143 143 ARG H H 8.282 0.020 1 1301 143 143 ARG HA H 3.932 0.020 1 1302 143 143 ARG HB2 H 1.774 0.020 1 1303 143 143 ARG HB3 H 1.774 0.020 1 1304 143 143 ARG HG2 H 1.496 0.020 1 1305 143 143 ARG HG3 H 1.496 0.020 1 1306 143 143 ARG HD2 H 3.163 0.020 1 1307 143 143 ARG HD3 H 3.163 0.020 1 1308 143 143 ARG C C 178.144 0.3 1 1309 143 143 ARG CA C 59.053 0.3 1 1310 143 143 ARG CB C 30.035 0.3 1 1311 143 143 ARG CG C 27.913 0.3 1 1312 143 143 ARG CD C 43.281 0.3 1 1313 143 143 ARG N N 119.178 0.3 1 1314 144 144 LEU H H 7.052 0.020 1 1315 144 144 LEU HA H 4.124 0.020 1 1316 144 144 LEU HB2 H 1.667 0.020 2 1317 144 144 LEU HB3 H 1.347 0.020 2 1318 144 144 LEU HG H 1.347 0.020 1 1319 144 144 LEU HD1 H 0.877 0.020 2 1320 144 144 LEU HD2 H 0.706 0.020 2 1321 144 144 LEU C C 177.898 0.3 1 1322 144 144 LEU CA C 58.015 0.3 1 1323 144 144 LEU CB C 40.167 0.3 1 1324 144 144 LEU CD1 C 24.424 0.3 1 1325 144 144 LEU CD2 C 24.432 0.3 1 1326 144 144 LEU N N 121.254 0.3 1 1327 145 145 ALA H H 7.628 0.020 1 1328 145 145 ALA HA H 3.718 0.020 1 1329 145 145 ALA HB H 1.304 0.020 1 1330 145 145 ALA C C 178.884 0.3 1 1331 145 145 ALA CA C 54.591 0.3 1 1332 145 145 ALA CB C 18.687 0.3 1 1333 145 145 ALA N N 118.492 0.3 1 1334 146 146 ALA H H 8.087 0.020 1 1335 146 146 ALA HA H 4.188 0.020 1 1336 146 146 ALA HB H 1.454 0.020 1 1337 146 146 ALA C C 181.767 0.3 1 1338 146 146 ALA CA C 54.694 0.3 1 1339 146 146 ALA CB C 18.479 0.3 1 1340 146 146 ALA N N 119.835 0.3 1 1341 147 147 GLU H H 8.854 0.020 1 1342 147 147 GLU HA H 3.953 0.020 1 1343 147 147 GLU HB2 H 2.180 0.020 1 1344 147 147 GLU HB3 H 2.180 0.020 1 1345 147 147 GLU HG2 H 2.330 0.020 1 1346 147 147 GLU HG3 H 2.330 0.020 1 1347 147 147 GLU C C 179.007 0.3 1 1348 147 147 GLU CA C 59.468 0.3 1 1349 147 147 GLU CB C 29.686 0.3 1 1350 147 147 GLU CG C 36.674 0.3 1 1351 147 147 GLU N N 121.076 0.3 1 1352 148 148 GLU H H 7.809 0.020 1 1353 148 148 GLU HA H 4.594 0.020 1 1354 148 148 GLU HB2 H 2.330 0.020 1 1355 148 148 GLU HB3 H 2.330 0.020 1 1356 148 148 GLU HG2 H 2.156 0.020 1 1357 148 148 GLU HG3 H 2.156 0.020 1 1358 148 148 GLU C C 174.423 0.3 1 1359 148 148 GLU CA C 54.902 0.3 1 1360 148 148 GLU CB C 28.752 0.3 1 1361 148 148 GLU CG C 35.178 0.3 1 1362 148 148 GLU N N 113.346 0.3 1 1363 149 149 GLN H H 7.661 0.020 1 1364 149 149 GLN HA H 3.953 0.020 1 1365 149 149 GLN HB2 H 2.272 0.020 1 1366 149 149 GLN HB3 H 2.272 0.020 1 1367 149 149 GLN C C 175.754 0.3 1 1368 149 149 GLN CA C 56.666 0.3 1 1369 149 149 GLN CB C 26.158 0.3 1 1370 149 149 GLN CG C 34.446 0.3 1 1371 149 149 GLN N N 116.133 0.3 1 1372 150 150 LEU H H 8.391 0.020 1 1373 150 150 LEU HA H 4.353 0.020 1 1374 150 150 LEU HB2 H 1.581 0.020 1 1375 150 150 LEU HB3 H 1.581 0.020 1 1376 150 150 LEU HG H 1.581 0.020 1 1377 150 150 LEU HD1 H 0.877 0.020 1 1378 150 150 LEU HD2 H 0.877 0.020 1 1379 150 150 LEU C C 177.158 0.3 1 1380 150 150 LEU CA C 53.993 0.3 1 1381 150 150 LEU CB C 41.020 0.3 1 1382 150 150 LEU CG C 27.502 0.3 1 1383 150 150 LEU CD1 C 25.090 0.3 1 1384 150 150 LEU CD2 C 25.090 0.3 1 1385 150 150 LEU N N 115.638 0.3 1 1386 151 151 ALA H H 8.438 0.020 1 1387 151 151 ALA HA H 4.146 0.020 1 1388 151 151 ALA HB H 1.411 0.020 1 1389 151 151 ALA C C 178.218 0.3 1 1390 151 151 ALA CA C 54.813 0.3 1 1391 151 151 ALA CB C 19.864 0.3 1 1392 151 151 ALA N N 121.637 0.3 1 1393 152 152 ALA H H 7.332 0.020 1 1394 152 152 ALA HA H 4.402 0.020 1 1395 152 152 ALA HB H 1.411 0.020 1 1396 152 152 ALA C C 173.511 0.3 1 1397 152 152 ALA CA C 52.132 0.3 1 1398 152 152 ALA CB C 23.286 0.3 1 1399 152 152 ALA N N 112.467 0.3 1 1400 153 153 PHE H H 7.682 0.020 1 1401 153 153 PHE HA H 5.812 0.020 1 1402 153 153 PHE HB2 H 2.885 0.020 2 1403 153 153 PHE HB3 H 2.372 0.020 2 1404 153 153 PHE C C 172.993 0.3 1 1405 153 153 PHE CA C 55.583 0.3 1 1406 153 153 PHE CB C 42.761 0.3 1 1407 153 153 PHE N N 119.274 0.3 1 1408 154 154 TYR H H 8.008 0.020 1 1409 154 154 TYR HA H 4.146 0.020 1 1410 154 154 TYR HB2 H 2.693 0.020 2 1411 154 154 TYR HB3 H 2.052 0.020 2 1412 154 154 TYR C C 174.201 0.3 1 1413 154 154 TYR CA C 56.230 0.3 1 1414 154 154 TYR CB C 43.546 0.3 1 1415 154 154 TYR N N 124.691 0.3 1 1416 155 155 GLU H H 8.295 0.020 1 1417 155 155 GLU HA H 5.214 0.020 1 1418 155 155 GLU HB2 H 2.244 0.020 1 1419 155 155 GLU HB3 H 2.244 0.020 1 1420 155 155 GLU HG2 H 2.565 0.020 1 1421 155 155 GLU HG3 H 2.565 0.020 1 1422 155 155 GLU C C 176.148 0.3 1 1423 155 155 GLU CA C 55.463 0.3 1 1424 155 155 GLU CB C 32.930 0.3 1 1425 155 155 GLU CG C 38.604 0.3 1 1426 155 155 GLU N N 116.521 0.3 1 1427 156 156 ALA H H 9.211 0.020 1 1428 156 156 ALA HA H 4.808 0.020 1 1429 156 156 ALA HB H 1.069 0.020 1 1430 156 156 ALA C C 176.148 0.3 1 1431 156 156 ALA CA C 50.406 0.3 1 1432 156 156 ALA CB C 23.772 0.3 1 1433 156 156 ALA N N 123.617 0.3 1 1434 157 157 SER H H 8.606 0.020 1 1435 157 157 SER HA H 5.064 0.020 1 1436 157 157 SER HB2 H 3.975 0.020 1 1437 157 157 SER HB3 H 3.975 0.020 1 1438 157 157 SER C C 175.704 0.3 1 1439 157 157 SER CA C 57.006 0.3 1 1440 157 157 SER CB C 65.447 0.3 1 1441 157 157 SER N N 110.195 0.3 1 1442 158 158 ALA H H 9.211 0.020 1 1443 158 158 ALA HA H 3.947 0.020 1 1444 158 158 ALA HB H 1.602 0.020 1 1445 158 158 ALA C C 178.218 0.3 1 1446 158 158 ALA CA C 55.614 0.3 1 1447 158 158 ALA CB C 18.168 0.3 1 1448 158 158 ALA N N 134.490 0.3 1 1449 159 159 LYS H H 7.166 0.020 1 1450 159 159 LYS HA H 4.082 0.020 1 1451 159 159 LYS HB2 H 1.753 0.020 1 1452 159 159 LYS HB3 H 1.753 0.020 1 1453 159 159 LYS HG2 H 0.428 0.020 1 1454 159 159 LYS HG3 H 0.428 0.020 1 1455 159 159 LYS HD2 H 1.539 0.020 1 1456 159 159 LYS HD3 H 1.539 0.020 1 1457 159 159 LYS HE2 H 2.607 0.020 1 1458 159 159 LYS HE3 H 2.607 0.020 1 1459 159 159 LYS C C 176.764 0.3 1 1460 159 159 LYS CA C 58.845 0.3 1 1461 159 159 LYS CB C 34.118 0.3 1 1462 159 159 LYS CG C 18.782 0.3 1 1463 159 159 LYS CD C 30.215 0.3 1 1464 159 159 LYS N N 119.659 0.3 1 1465 160 160 ASP H H 7.759 0.020 1 1466 160 160 ASP HA H 4.459 0.020 1 1467 160 160 ASP HB2 H 2.736 0.020 2 1468 160 160 ASP HB3 H 2.202 0.020 2 1469 160 160 ASP C C 176.099 0.3 1 1470 160 160 ASP CA C 53.968 0.3 1 1471 160 160 ASP CB C 40.374 0.3 1 1472 160 160 ASP N N 116.151 0.3 1 1473 161 161 ASN H H 7.515 0.020 1 1474 161 161 ASN HA H 4.139 0.020 1 1475 161 161 ASN HB2 H 2.519 0.020 2 1476 161 161 ASN HB3 H 1.986 0.020 2 1477 161 161 ASN C C 173.461 0.3 1 1478 161 161 ASN CA C 53.553 0.3 1 1479 161 161 ASN CB C 37.054 0.3 1 1480 161 161 ASN N N 117.599 0.3 1 1481 162 162 ASN H H 8.315 0.020 1 1482 162 162 ASN HA H 4.958 0.020 1 1483 162 162 ASN HB2 H 2.586 0.020 1 1484 162 162 ASN HB3 H 2.586 0.020 1 1485 162 162 ASN C C 175.261 0.3 1 1486 162 162 ASN CA C 52.752 0.3 1 1487 162 162 ASN CB C 41.827 0.3 1 1488 162 162 ASN N N 116.809 0.3 1 1489 163 163 ASN H H 9.136 0.020 1 1490 163 163 ASN HA H 4.616 0.020 1 1491 163 163 ASN HB2 H 3.077 0.020 1 1492 163 163 ASN HB3 H 3.077 0.020 1 1493 163 163 ASN C C 173.042 0.3 1 1494 163 163 ASN CA C 54.318 0.3 1 1495 163 163 ASN CB C 37.578 0.3 1 1496 163 163 ASN N N 121.614 0.3 1 1497 164 164 VAL H H 7.278 0.020 1 1498 164 164 VAL HA H 4.723 0.020 1 1499 164 164 VAL HB H 3.377 0.020 1 1500 164 164 VAL HG1 H 1.026 0.020 2 1501 164 164 VAL HG2 H 0.877 0.020 2 1502 164 164 VAL C C 176.518 0.3 1 1503 164 164 VAL CA C 66.420 0.3 1 1504 164 164 VAL CB C 31.816 0.3 1 1505 164 164 VAL CG1 C 22.897 0.3 1 1506 164 164 VAL CG2 C 22.897 0.3 1 1507 164 164 VAL N N 117.168 0.3 1 1508 165 165 GLU H H 8.552 0.020 1 1509 165 165 GLU HA H 3.847 0.020 1 1510 165 165 GLU HB2 H 2.073 0.020 1 1511 165 165 GLU HB3 H 2.073 0.020 1 1512 165 165 GLU HG3 H 2.330 0.020 1 1513 165 165 GLU C C 178.267 0.3 1 1514 165 165 GLU CA C 60.115 0.3 1 1515 165 165 GLU CB C 29.573 0.3 1 1516 165 165 GLU CG C 37.045 0.3 1 1517 165 165 GLU N N 118.266 0.3 1 1518 166 166 GLN H H 8.185 0.020 1 1519 166 166 GLN HA H 3.590 0.020 1 1520 166 166 GLN HB2 H 1.646 0.020 1 1521 166 166 GLN HB3 H 1.646 0.020 1 1522 166 166 GLN HG2 H 2.391 0.020 1 1523 166 166 GLN HG3 H 2.391 0.020 1 1524 166 166 GLN C C 176.887 0.3 1 1525 166 166 GLN CA C 59.359 0.3 1 1526 166 166 GLN CB C 28.337 0.3 1 1527 166 166 GLN CG C 34.298 0.3 1 1528 166 166 GLN N N 116.582 0.3 1 1529 167 167 VAL H H 6.775 0.020 1 1530 167 167 VAL HA H 4.843 0.020 1 1531 167 167 VAL HB H 2.565 0.020 1 1532 167 167 VAL HG1 H 0.065 0.020 1 1533 167 167 VAL HG2 H 0.065 0.020 1 1534 167 167 VAL C C 177.084 0.3 1 1535 167 167 VAL CA C 65.869 0.3 1 1536 167 167 VAL CB C 30.925 0.3 1 1537 167 167 VAL CG1 C 21.529 0.3 1 1538 167 167 VAL CG2 C 21.529 0.3 1 1539 167 167 VAL N N 115.293 0.3 1 1540 168 168 PHE H H 6.435 0.020 1 1541 168 168 PHE HA H 3.633 0.020 1 1542 168 168 PHE HB2 H 1.838 0.020 1 1543 168 168 PHE HB3 H 1.838 0.020 1 1544 168 168 PHE C C 180.313 0.3 1 1545 168 168 PHE CA C 61.926 0.3 1 1546 168 168 PHE CB C 39.463 0.3 1 1547 168 168 PHE N N 114.149 0.3 1 1548 169 169 LEU H H 8.768 0.020 1 1549 169 169 LEU HA H 4.188 0.020 1 1550 169 169 LEU HB2 H 1.817 0.020 2 1551 169 169 LEU HB3 H 1.496 0.020 2 1552 169 169 LEU HG H 1.496 0.020 1 1553 169 169 LEU HD1 H 0.941 0.020 1 1554 169 169 LEU HD2 H 0.941 0.020 1 1555 169 169 LEU C C 179.771 0.3 1 1556 169 169 LEU CA C 58.083 0.3 1 1557 169 169 LEU CB C 40.867 0.3 1 1558 169 169 LEU CG C 25.090 0.3 1 1559 169 169 LEU CD1 C 22.458 0.3 1 1560 169 169 LEU CD2 C 21.252 0.3 1 1561 169 169 LEU N N 124.633 0.3 1 1562 170 170 ASP H H 8.565 0.020 1 1563 170 170 ASP HA H 4.381 0.020 1 1564 170 170 ASP HB2 H 2.864 0.020 2 1565 170 170 ASP HB3 H 2.522 0.020 2 1566 170 170 ASP C C 178.958 0.3 1 1567 170 170 ASP CA C 56.877 0.3 1 1568 170 170 ASP CB C 39.771 0.3 1 1569 170 170 ASP N N 121.028 0.3 1 1570 171 171 LEU H H 7.318 0.020 1 1571 171 171 LEU HA H 3.868 0.020 1 1572 171 171 LEU HB2 H 1.731 0.020 2 1573 171 171 LEU HB3 H 1.561 0.020 2 1574 171 171 LEU HG H 1.561 0.020 1 1575 171 171 LEU HD1 H 0.685 0.020 1 1576 171 171 LEU HD2 H 0.685 0.020 1 1577 171 171 LEU C C 178.218 0.3 1 1578 171 171 LEU CA C 58.083 0.3 1 1579 171 171 LEU CB C 42.293 0.3 1 1580 171 171 LEU CG C 27.542 0.3 1 1581 171 171 LEU CD1 C 25.309 0.3 1 1582 171 171 LEU CD2 C 25.309 0.3 1 1583 171 171 LEU N N 118.851 0.3 1 1584 172 172 ALA H H 7.350 0.020 1 1585 172 172 ALA HA H 3.868 0.020 1 1586 172 172 ALA HB H 1.496 0.020 1 1587 172 172 ALA C C 178.686 0.3 1 1588 172 172 ALA CA C 54.794 0.3 1 1589 172 172 ALA CB C 18.811 0.3 1 1590 172 172 ALA N N 118.486 0.3 1 1591 173 173 ALA H H 7.391 0.020 1 1592 173 173 ALA HA H 4.210 0.020 1 1593 173 173 ALA HB H 1.539 0.020 1 1594 173 173 ALA C C 178.440 0.3 1 1595 173 173 ALA CA C 53.697 0.3 1 1596 173 173 ALA CB C 18.936 0.3 1 1597 173 173 ALA N N 117.236 0.3 1 1598 174 174 LYS H H 7.742 0.020 1 1599 174 174 LYS HA H 4.402 0.020 1 1600 174 174 LYS HB2 H 2.073 0.020 1 1601 174 174 LYS HB3 H 2.073 0.020 1 1602 174 174 LYS HG2 H 1.518 0.020 1 1603 174 174 LYS HG3 H 1.518 0.020 1 1604 174 174 LYS HD2 H 1.774 0.020 1 1605 174 174 LYS HD3 H 1.774 0.020 1 1606 174 174 LYS HE2 H 2.971 0.020 1 1607 174 174 LYS HE3 H 2.971 0.020 1 1608 174 174 LYS C C 175.433 0.3 1 1609 174 174 LYS CA C 55.890 0.3 1 1610 174 174 LYS CB C 34.178 0.3 1 1611 174 174 LYS CG C 25.463 0.3 1 1612 174 174 LYS CD C 28.928 0.3 1 1613 174 174 LYS CE C 42.316 0.3 1 1614 174 174 LYS N N 116.806 0.3 1 1615 175 175 LEU H H 7.124 0.020 1 1616 175 175 LEU C C 181.817 0.3 1 1617 175 175 LEU CA C 56.367 0.3 1 1618 175 175 LEU CB C 43.175 0.3 1 1619 175 175 LEU N N 125.187 0.3 1 stop_ save_