data_27058 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment of MOAG-4 at pH 6.0 ; _BMRB_accession_number 27058 _BMRB_flat_file_name bmr27058.str _Entry_type original _Submission_date 2017-03-28 _Accession_date 2017-03-28 _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 Yoshimura Yuichi . . 2 Holmberg Mats . . 3 Kukic Predrag . . 4 Andersen Camilla . . 5 Mata-Cabana Alejandro . . 6 Falsone Fabio . . 7 Vendruscolo Michele . . 8 Nollen Ellen . . 9 Mulder Frans . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 347 "13C chemical shifts" 314 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-11 update BMRB 'update entry citation' 2017-03-30 original author 'original release' stop_ _Original_release_date 2017-03-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; MOAG-4 promotes the aggregation of alpha-synuclein by competing with self-protective electrostatic interactions. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28336532 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoshimura Yuichi . . 2 Holmberg Mats A. . 3 Kukic Predrag . . 4 Andersen Camilla B. . 5 Mata-Cabana Alejandro . . 6 Falsone 'S Fabio' F. . 7 Vendruscolo Michele . . 8 Nollen Ellen . . 9 Mulder Frans . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 292 _Journal_issue 20 _Journal_ISSN 1083-351X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8269 _Page_last 8278 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MOAG-4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MOAG-4 $MOAG-4 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_MOAG-4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MOAG-4 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; MTRGNQRDLAREKNQKKLAD QKKRQGASGQDGNAGLSMDA RMNRDADVMRIKQEKAAAKK EAEAAAAAANAKKVAKVDPL KM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ARG 4 GLY 5 ASN 6 GLN 7 ARG 8 ASP 9 LEU 10 ALA 11 ARG 12 GLU 13 LYS 14 ASN 15 GLN 16 LYS 17 LYS 18 LEU 19 ALA 20 ASP 21 GLN 22 LYS 23 LYS 24 ARG 25 GLN 26 GLY 27 ALA 28 SER 29 GLY 30 GLN 31 ASP 32 GLY 33 ASN 34 ALA 35 GLY 36 LEU 37 SER 38 MET 39 ASP 40 ALA 41 ARG 42 MET 43 ASN 44 ARG 45 ASP 46 ALA 47 ASP 48 VAL 49 MET 50 ARG 51 ILE 52 LYS 53 GLN 54 GLU 55 LYS 56 ALA 57 ALA 58 ALA 59 LYS 60 LYS 61 GLU 62 ALA 63 GLU 64 ALA 65 ALA 66 ALA 67 ALA 68 ALA 69 ALA 70 ASN 71 ALA 72 LYS 73 LYS 74 VAL 75 ALA 76 LYS 77 VAL 78 ASP 79 PRO 80 LEU 81 LYS 82 MET 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 $MOAG-4 'C. elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans 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 $MOAG-4 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details MOAG-4 loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MOAG-4 0.4 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)NNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)NNH' _Sample_label $sample_1 save_ save_3D_(HN)CO(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HN)CO(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)N(COCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)N(COCO)NH' _Sample_label $sample_1 save_ save_3D_H(CC)(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 6.0 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCACB' '3D H(CC)(CO)NH' '3D (H)CC(CO)NH' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MOAG-4 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 THR HA H 4.39 0.05 1 2 2 2 THR HB H 4.18 0.05 1 3 2 2 THR HG2 H 1.22 0.05 1 4 2 2 THR C C 174.05 0.02 1 5 2 2 THR CA C 61.93 0.1 1 6 2 2 THR CB C 70.22 0.1 1 7 2 2 THR CG2 C 21.63 0.1 1 8 3 3 ARG H H 8.75 0.02 1 9 3 3 ARG HA H 4.36 0.05 1 10 3 3 ARG HD2 H 3.21 0.05 2 11 3 3 ARG HD3 H 3.21 0.05 2 12 3 3 ARG C C 176.79 0.02 1 13 3 3 ARG CA C 56.37 0.1 1 14 3 3 ARG CB C 30.92 0.1 1 15 3 3 ARG CD C 43.27 0.1 1 16 3 3 ARG N N 124.74 0.02 1 17 4 4 GLY H H 8.61 0.02 1 18 4 4 GLY HA2 H 3.96 0.05 2 19 4 4 GLY HA3 H 3.96 0.05 2 20 4 4 GLY C C 173.85 0.02 1 21 4 4 GLY CA C 45.17 0.1 1 22 4 4 GLY N N 110.41 0.02 1 23 5 5 ASN H H 8.51 0.02 1 24 5 5 ASN HA H 4.71 0.05 1 25 5 5 ASN HB2 H 2.83 0.05 2 26 5 5 ASN HB3 H 2.83 0.05 2 27 5 5 ASN C C 175.63 0.02 1 28 5 5 ASN CA C 53.25 0.1 1 29 5 5 ASN CB C 39.04 0.1 1 30 5 5 ASN N N 118.93 0.02 1 31 6 6 GLN H H 8.60 0.02 1 32 6 6 GLN HA H 4.23 0.05 1 33 6 6 GLN HG2 H 2.39 0.05 2 34 6 6 GLN HG3 H 2.39 0.05 2 35 6 6 GLN C C 176.61 0.02 1 36 6 6 GLN CA C 56.88 0.1 1 37 6 6 GLN CB C 28.83 0.1 1 38 6 6 GLN CG C 33.85 0.1 1 39 6 6 GLN N N 121.20 0.02 1 40 7 7 ARG H H 8.47 0.02 1 41 7 7 ARG HA H 4.23 0.05 1 42 7 7 ARG HD2 H 3.19 0.05 2 43 7 7 ARG HD3 H 3.19 0.05 2 44 7 7 ARG C C 176.60 0.02 1 45 7 7 ARG CA C 56.88 0.1 1 46 7 7 ARG CB C 30.70 0.1 1 47 7 7 ARG CD C 43.34 0.1 1 48 7 7 ARG N N 122.02 0.02 1 49 8 8 ASP H H 8.46 0.02 1 50 8 8 ASP HA H 4.60 0.05 1 51 8 8 ASP HB2 H 2.80 0.05 2 52 8 8 ASP HB3 H 2.61 0.05 2 53 8 8 ASP C C 176.88 0.02 1 54 8 8 ASP CA C 54.61 0.1 1 55 8 8 ASP CB C 40.64 0.1 1 56 8 8 ASP N N 122.04 0.02 1 57 9 9 LEU H H 8.30 0.02 1 58 9 9 LEU HA H 4.15 0.05 1 59 9 9 LEU HD1 H 0.88 0.05 2 60 9 9 LEU HD2 H 0.88 0.05 2 61 9 9 LEU C C 178.48 0.02 1 62 9 9 LEU CA C 56.53 0.1 1 63 9 9 LEU CB C 41.80 0.1 1 64 9 9 LEU CG C 26.88 0.1 1 65 9 9 LEU CD1 C 24.87 0.1 2 66 9 9 LEU CD2 C 23.19 0.1 2 67 9 9 LEU N N 123.32 0.02 1 68 10 10 ALA H H 8.23 0.02 1 69 10 10 ALA HA H 4.19 0.05 1 70 10 10 ALA HB H 1.44 0.05 1 71 10 10 ALA C C 179.08 0.02 1 72 10 10 ALA CA C 53.97 0.1 1 73 10 10 ALA CB C 18.40 0.1 1 74 10 10 ALA N N 122.90 0.02 1 75 11 11 ARG H H 8.02 0.02 1 76 11 11 ARG HA H 4.19 0.05 1 77 11 11 ARG HD2 H 3.22 0.05 2 78 11 11 ARG HD3 H 3.22 0.05 2 79 11 11 ARG C C 177.83 0.02 1 80 11 11 ARG CA C 57.69 0.1 1 81 11 11 ARG CB C 30.42 0.1 1 82 11 11 ARG CG C 26.85 0.1 1 83 11 11 ARG CD C 43.31 0.1 1 84 11 11 ARG N N 119.62 0.02 1 85 12 12 GLU H H 8.25 0.02 1 86 12 12 GLU HA H 4.15 0.05 1 87 12 12 GLU HB2 H 2.06 0.05 2 88 12 12 GLU HB3 H 2.06 0.05 2 89 12 12 GLU HG2 H 2.38 0.05 2 90 12 12 GLU HG3 H 2.27 0.05 2 91 12 12 GLU C C 177.96 0.02 1 92 12 12 GLU CA C 57.99 0.1 1 93 12 12 GLU CB C 29.48 0.1 1 94 12 12 GLU CG C 36.31 0.1 1 95 12 12 GLU N N 120.46 0.02 1 96 13 13 LYS H H 8.27 0.02 1 97 13 13 LYS HA H 4.17 0.05 1 98 13 13 LYS HB2 H 1.85 0.05 2 99 13 13 LYS HB3 H 1.85 0.05 2 100 13 13 LYS HE2 H 2.98 0.05 2 101 13 13 LYS HE3 H 2.98 0.05 2 102 13 13 LYS C C 177.78 0.02 1 103 13 13 LYS CA C 57.97 0.1 1 104 13 13 LYS CB C 32.78 0.1 1 105 13 13 LYS CG C 24.77 0.1 1 106 13 13 LYS CD C 29.30 0.1 1 107 13 13 LYS CE C 42.14 0.1 1 108 13 13 LYS N N 121.07 0.02 1 109 14 14 ASN H H 8.36 0.02 1 110 14 14 ASN HA H 4.62 0.05 1 111 14 14 ASN HB2 H 2.84 0.05 2 112 14 14 ASN HB3 H 2.84 0.05 2 113 14 14 ASN C C 176.15 0.02 1 114 14 14 ASN CA C 54.49 0.1 1 115 14 14 ASN CB C 38.59 0.1 1 116 14 14 ASN N N 118.92 0.02 1 117 15 15 GLN H H 8.40 0.02 1 118 15 15 GLN HA H 4.17 0.05 1 119 15 15 GLN HB2 H 2.11 0.05 2 120 15 15 GLN HB3 H 2.11 0.05 2 121 15 15 GLN HG2 H 2.44 0.05 2 122 15 15 GLN HG3 H 2.44 0.05 2 123 15 15 GLN C C 177.27 0.02 1 124 15 15 GLN CA C 57.29 0.1 1 125 15 15 GLN CB C 28.94 0.1 1 126 15 15 GLN CG C 33.94 0.1 1 127 15 15 GLN N N 120.44 0.02 1 128 16 16 LYS H H 8.25 0.02 1 129 16 16 LYS HA H 4.20 0.05 1 130 16 16 LYS HB2 H 1.84 0.05 2 131 16 16 LYS HB3 H 1.84 0.05 2 132 16 16 LYS HG2 H 1.44 0.05 2 133 16 16 LYS HG3 H 1.44 0.05 2 134 16 16 LYS HD2 H 1.69 0.05 2 135 16 16 LYS HD3 H 1.69 0.05 2 136 16 16 LYS HE2 H 2.99 0.05 2 137 16 16 LYS HE3 H 2.99 0.05 2 138 16 16 LYS C C 177.18 0.02 1 139 16 16 LYS CA C 57.67 0.1 1 140 16 16 LYS CB C 32.66 0.1 1 141 16 16 LYS CG C 24.77 0.1 1 142 16 16 LYS CD C 29.22 0.1 1 143 16 16 LYS CE C 42.20 0.1 1 144 16 16 LYS N N 122.17 0.02 1 145 17 17 LYS H H 8.16 0.02 1 146 17 17 LYS HA H 4.22 0.05 1 147 17 17 LYS HB2 H 1.84 0.05 2 148 17 17 LYS HB3 H 1.84 0.05 2 149 17 17 LYS HE2 H 2.99 0.05 2 150 17 17 LYS HE3 H 2.99 0.05 2 151 17 17 LYS C C 177.87 0.02 1 152 17 17 LYS CA C 57.51 0.1 1 153 17 17 LYS CB C 32.73 0.1 1 154 17 17 LYS CG C 24.65 0.1 1 155 17 17 LYS CD C 29.27 0.1 1 156 17 17 LYS CE C 42.08 0.1 1 157 17 17 LYS N N 121.60 0.02 1 158 18 18 LEU H H 8.18 0.02 1 159 18 18 LEU HA H 4.22 0.05 1 160 18 18 LEU HD1 H 0.90 0.05 2 161 18 18 LEU HD2 H 0.90 0.05 2 162 18 18 LEU C C 178.30 0.02 1 163 18 18 LEU CA C 56.24 0.1 1 164 18 18 LEU CB C 42.05 0.1 1 165 18 18 LEU CG C 26.94 0.1 1 166 18 18 LEU CD1 C 24.80 0.1 2 167 18 18 LEU CD2 C 23.46 0.1 2 168 18 18 LEU N N 122.24 0.02 1 169 19 19 ALA H H 8.26 0.02 1 170 19 19 ALA HA H 4.21 0.05 1 171 19 19 ALA HB H 1.44 0.05 1 172 19 19 ALA C C 178.90 0.02 1 173 19 19 ALA CA C 53.34 0.1 1 174 19 19 ALA CB C 18.71 0.1 1 175 19 19 ALA N N 123.80 0.02 1 176 20 20 ASP H H 8.37 0.02 1 177 20 20 ASP HA H 4.50 0.05 1 178 20 20 ASP HB2 H 2.70 0.05 2 179 20 20 ASP HB3 H 2.70 0.05 2 180 20 20 ASP C C 177.37 0.02 1 181 20 20 ASP CA C 55.44 0.1 1 182 20 20 ASP CB C 40.84 0.1 1 183 20 20 ASP N N 119.64 0.02 1 184 21 21 GLN H H 8.24 0.02 1 185 21 21 GLN HA H 4.19 0.05 1 186 21 21 GLN HG2 H 2.43 0.05 2 187 21 21 GLN HG3 H 2.43 0.05 2 188 21 21 GLN C C 176.95 0.02 1 189 21 21 GLN CA C 56.98 0.1 1 190 21 21 GLN CB C 29.28 0.1 1 191 21 21 GLN CG C 33.89 0.1 1 192 21 21 GLN N N 120.63 0.02 1 193 22 22 LYS H H 8.22 0.02 1 194 22 22 LYS HA H 4.20 0.05 1 195 22 22 LYS HB2 H 1.84 0.05 2 196 22 22 LYS HB3 H 1.84 0.05 2 197 22 22 LYS HG2 H 1.50 0.05 2 198 22 22 LYS HG3 H 1.44 0.05 2 199 22 22 LYS HD2 H 1.68 0.05 2 200 22 22 LYS HD3 H 1.68 0.05 2 201 22 22 LYS HE2 H 2.98 0.05 2 202 22 22 LYS HE3 H 2.98 0.05 2 203 22 22 LYS C C 177.41 0.02 1 204 22 22 LYS CA C 57.26 0.1 1 205 22 22 LYS CB C 32.67 0.1 1 206 22 22 LYS CG C 24.76 0.1 1 207 22 22 LYS CD C 29.23 0.1 1 208 22 22 LYS CE C 42.10 0.1 1 209 22 22 LYS N N 121.04 0.02 1 210 23 23 LYS H H 8.15 0.02 1 211 23 23 LYS HA H 4.24 0.05 1 212 23 23 LYS HB2 H 1.83 0.05 2 213 23 23 LYS HB3 H 1.83 0.05 2 214 23 23 LYS HG2 H 1.45 0.05 2 215 23 23 LYS HG3 H 1.45 0.05 2 216 23 23 LYS HD2 H 1.70 0.05 2 217 23 23 LYS HD3 H 1.70 0.05 2 218 23 23 LYS HE2 H 2.99 0.05 2 219 23 23 LYS HE3 H 2.99 0.05 2 220 23 23 LYS C C 177.08 0.02 1 221 23 23 LYS CA C 56.97 0.1 1 222 23 23 LYS CB C 32.94 0.1 1 223 23 23 LYS CG C 24.79 0.1 1 224 23 23 LYS CD C 29.17 0.1 1 225 23 23 LYS CE C 42.20 0.1 1 226 23 23 LYS N N 121.45 0.02 1 227 24 24 ARG H H 8.29 0.02 1 228 24 24 ARG HA H 4.29 0.05 1 229 24 24 ARG HB2 H 1.84 0.05 2 230 24 24 ARG HB3 H 1.84 0.05 2 231 24 24 ARG HG2 H 1.64 0.05 2 232 24 24 ARG HG3 H 1.64 0.05 2 233 24 24 ARG HD2 H 3.20 0.05 2 234 24 24 ARG HD3 H 3.20 0.05 2 235 24 24 ARG C C 176.62 0.02 1 236 24 24 ARG CA C 56.56 0.1 1 237 24 24 ARG CB C 30.77 0.1 1 238 24 24 ARG CD C 43.34 0.1 1 239 24 24 ARG N N 121.81 0.02 1 240 25 25 GLN H H 8.46 0.02 1 241 25 25 GLN HA H 4.31 0.05 1 242 25 25 GLN HB2 H 2.11 0.05 2 243 25 25 GLN HB3 H 2.04 0.05 2 244 25 25 GLN HG2 H 2.41 0.05 2 245 25 25 GLN HG3 H 2.41 0.05 2 246 25 25 GLN C C 176.65 0.02 1 247 25 25 GLN CA C 56.25 0.1 1 248 25 25 GLN CB C 29.35 0.1 1 249 25 25 GLN CG C 33.79 0.1 1 250 25 25 GLN N N 121.67 0.02 1 251 26 26 GLY H H 8.49 0.02 1 252 26 26 GLY HA2 H 3.97 0.05 2 253 26 26 GLY HA3 H 3.97 0.05 2 254 26 26 GLY C C 173.93 0.02 1 255 26 26 GLY CA C 45.12 0.1 1 256 26 26 GLY N N 110.35 0.02 1 257 27 27 ALA H H 8.30 0.02 1 258 27 27 ALA HA H 4.37 0.05 1 259 27 27 ALA HB H 1.41 0.05 1 260 27 27 ALA C C 178.07 0.02 1 261 27 27 ALA CA C 52.20 0.1 1 262 27 27 ALA CB C 19.37 0.1 1 263 27 27 ALA N N 123.97 0.02 1 264 28 28 SER H H 8.51 0.02 1 265 28 28 SER HA H 4.46 0.05 1 266 28 28 SER HB2 H 3.90 0.05 2 267 28 28 SER HB3 H 3.90 0.05 2 268 28 28 SER C C 175.29 0.02 1 269 28 28 SER CA C 58.62 0.1 1 270 28 28 SER CB C 63.86 0.1 1 271 28 28 SER N N 115.38 0.02 1 272 29 29 GLY H H 8.54 0.02 1 273 29 29 GLY HA2 H 3.99 0.05 2 274 29 29 GLY HA3 H 3.99 0.05 2 275 29 29 GLY C C 174.39 0.02 1 276 29 29 GLY CA C 45.38 0.1 1 277 29 29 GLY N N 110.84 0.02 1 278 30 30 GLN H H 8.35 0.02 1 279 30 30 GLN HA H 4.36 0.05 1 280 30 30 GLN HB2 H 2.13 0.05 2 281 30 30 GLN HB3 H 1.97 0.05 2 282 30 30 GLN HG2 H 2.33 0.05 2 283 30 30 GLN HG3 H 2.33 0.05 2 284 30 30 GLN C C 175.90 0.02 1 285 30 30 GLN CA C 55.80 0.1 1 286 30 30 GLN CB C 29.38 0.1 1 287 30 30 GLN CG C 33.71 0.1 1 288 30 30 GLN N N 119.73 0.02 1 289 31 31 ASP H H 8.50 0.02 1 290 31 31 ASP HA H 4.60 0.05 1 291 31 31 ASP HB2 H 2.70 0.05 2 292 31 31 ASP HB3 H 2.70 0.05 2 293 31 31 ASP C C 176.93 0.02 1 294 31 31 ASP CA C 54.50 0.1 1 295 31 31 ASP CB C 41.03 0.1 1 296 31 31 ASP N N 121.27 0.02 1 297 32 32 GLY H H 8.48 0.02 1 298 32 32 GLY HA2 H 3.94 0.05 2 299 32 32 GLY HA3 H 3.94 0.05 2 300 32 32 GLY C C 174.36 0.02 1 301 32 32 GLY CA C 45.60 0.1 1 302 32 32 GLY N N 109.67 0.02 1 303 33 33 ASN H H 8.41 0.02 1 304 33 33 ASN HA H 4.73 0.05 1 305 33 33 ASN HB2 H 2.86 0.05 2 306 33 33 ASN HB3 H 2.77 0.05 2 307 33 33 ASN C C 175.44 0.02 1 308 33 33 ASN CA C 53.31 0.1 1 309 33 33 ASN CB C 38.93 0.1 1 310 33 33 ASN N N 118.77 0.02 1 311 34 34 ALA H H 8.36 0.02 1 312 34 34 ALA HA H 4.27 0.05 1 313 34 34 ALA HB H 1.41 0.05 1 314 34 34 ALA C C 178.33 0.02 1 315 34 34 ALA CA C 52.97 0.1 1 316 34 34 ALA CB C 18.98 0.1 1 317 34 34 ALA N N 124.37 0.02 1 318 35 35 GLY H H 8.45 0.02 1 319 35 35 GLY HA2 H 3.92 0.05 2 320 35 35 GLY HA3 H 3.92 0.05 2 321 35 35 GLY C C 174.25 0.02 1 322 35 35 GLY CA C 45.26 0.1 1 323 35 35 GLY N N 107.69 0.02 1 324 36 36 LEU H H 8.03 0.02 1 325 36 36 LEU HA H 4.39 0.05 1 326 36 36 LEU HD1 H 0.89 0.05 2 327 36 36 LEU HD2 H 0.89 0.05 2 328 36 36 LEU C C 177.72 0.02 1 329 36 36 LEU CA C 55.14 0.1 1 330 36 36 LEU CB C 42.77 0.1 1 331 36 36 LEU CG C 26.95 0.1 1 332 36 36 LEU CD1 C 25.00 0.1 2 333 36 36 LEU CD2 C 23.43 0.1 2 334 36 36 LEU N N 121.38 0.02 1 335 37 37 SER H H 8.47 0.02 1 336 37 37 SER HA H 4.42 0.05 1 337 37 37 SER HB2 H 4.01 0.05 2 338 37 37 SER HB3 H 4.01 0.05 2 339 37 37 SER C C 174.93 0.02 1 340 37 37 SER CA C 58.29 0.1 1 341 37 37 SER CB C 63.82 0.1 1 342 37 37 SER N N 117.32 0.02 1 343 38 38 MET H H 8.65 0.02 1 344 38 38 MET HA H 4.41 0.05 1 345 38 38 MET C C 176.76 0.02 1 346 38 38 MET CA C 56.54 0.1 1 347 38 38 MET CB C 32.05 0.1 1 348 38 38 MET N N 122.49 0.02 1 349 39 39 ASP H H 8.38 0.02 1 350 39 39 ASP HA H 4.49 0.05 1 351 39 39 ASP HB2 H 2.69 0.05 2 352 39 39 ASP HB3 H 2.63 0.05 2 353 39 39 ASP C C 176.80 0.02 1 354 39 39 ASP CA C 55.19 0.1 1 355 39 39 ASP CB C 41.04 0.1 1 356 39 39 ASP N N 120.65 0.02 1 357 40 40 ALA H H 8.28 0.02 1 358 40 40 ALA HA H 4.24 0.05 1 359 40 40 ALA HB H 1.45 0.05 1 360 40 40 ALA C C 179.15 0.02 1 361 40 40 ALA CA C 53.42 0.1 1 362 40 40 ALA CB C 18.80 0.1 1 363 40 40 ALA N N 124.65 0.02 1 364 41 41 ARG H H 8.32 0.02 1 365 41 41 ARG HA H 4.13 0.05 1 366 41 41 ARG HB2 H 1.90 0.05 2 367 41 41 ARG HB3 H 1.90 0.05 2 368 41 41 ARG HG2 H 1.68 0.05 2 369 41 41 ARG HG3 H 1.68 0.05 2 370 41 41 ARG HD2 H 3.22 0.05 2 371 41 41 ARG HD3 H 3.22 0.05 2 372 41 41 ARG C C 177.32 0.02 1 373 41 41 ARG CA C 57.64 0.1 1 374 41 41 ARG CB C 30.25 0.1 1 375 41 41 ARG CG C 26.91 0.1 1 376 41 41 ARG CD C 43.41 0.1 1 377 41 41 ARG N N 119.15 0.02 1 378 42 42 MET H H 8.24 0.02 1 379 42 42 MET HA H 4.38 0.05 1 380 42 42 MET C C 177.07 0.02 1 381 42 42 MET CA C 56.53 0.1 1 382 42 42 MET CB C 32.11 0.1 1 383 42 42 MET N N 119.26 0.02 1 384 43 43 ASN H H 8.34 0.02 1 385 43 43 ASN HA H 4.65 0.05 1 386 43 43 ASN HB2 H 2.86 0.05 2 387 43 43 ASN HB3 H 2.79 0.05 2 388 43 43 ASN C C 175.98 0.02 1 389 43 43 ASN CA C 54.12 0.1 1 390 43 43 ASN CB C 38.56 0.1 1 391 43 43 ASN N N 119.43 0.02 1 392 44 44 ARG H H 8.37 0.02 1 393 44 44 ARG HA H 4.30 0.05 1 394 44 44 ARG HB2 H 1.97 0.05 2 395 44 44 ARG HB3 H 1.86 0.05 2 396 44 44 ARG HG2 H 1.75 0.05 2 397 44 44 ARG HG3 H 1.63 0.05 2 398 44 44 ARG HD2 H 3.21 0.05 2 399 44 44 ARG HD3 H 3.21 0.05 2 400 44 44 ARG C C 177.33 0.02 1 401 44 44 ARG CA C 57.51 0.1 1 402 44 44 ARG CB C 30.38 0.1 1 403 44 44 ARG CG C 26.53 0.1 1 404 44 44 ARG CD C 43.38 0.1 1 405 44 44 ARG N N 121.96 0.02 1 406 45 45 ASP H H 8.43 0.02 1 407 45 45 ASP HA H 4.49 0.05 1 408 45 45 ASP HB2 H 2.71 0.05 2 409 45 45 ASP HB3 H 2.71 0.05 2 410 45 45 ASP C C 177.57 0.02 1 411 45 45 ASP CA C 56.06 0.1 1 412 45 45 ASP CB C 40.45 0.1 1 413 45 45 ASP N N 120.59 0.02 1 414 46 46 ALA H H 8.25 0.02 1 415 46 46 ALA HA H 4.20 0.05 1 416 46 46 ALA HB H 1.47 0.05 1 417 46 46 ALA C C 179.53 0.02 1 418 46 46 ALA CA C 54.27 0.1 1 419 46 46 ALA CB C 18.58 0.1 1 420 46 46 ALA N N 123.30 0.02 1 421 47 47 ASP H H 8.18 0.02 1 422 47 47 ASP HA H 4.56 0.05 1 423 47 47 ASP HB2 H 2.77 0.05 2 424 47 47 ASP HB3 H 2.77 0.05 2 425 47 47 ASP C C 177.47 0.02 1 426 47 47 ASP CA C 56.52 0.1 1 427 47 47 ASP CB C 40.86 0.1 1 428 47 47 ASP N N 120.03 0.02 1 429 48 48 VAL H H 8.00 0.02 1 430 48 48 VAL HA H 3.73 0.05 1 431 48 48 VAL HB H 2.19 0.05 1 432 48 48 VAL HG1 H 1.10 0.05 2 433 48 48 VAL HG2 H 1.00 0.05 2 434 48 48 VAL C C 178.63 0.02 1 435 48 48 VAL CA C 65.65 0.1 1 436 48 48 VAL CB C 31.99 0.1 1 437 48 48 VAL CG1 C 21.92 0.1 2 438 48 48 VAL CG2 C 20.96 0.1 2 439 48 48 VAL N N 119.86 0.02 1 440 49 49 MET H H 8.10 0.02 1 441 49 49 MET HA H 4.29 0.05 1 442 49 49 MET C C 177.99 0.02 1 443 49 49 MET CA C 57.62 0.1 1 444 49 49 MET CB C 32.11 0.1 1 445 49 49 MET N N 119.39 0.02 1 446 50 50 ARG H H 8.08 0.02 1 447 50 50 ARG HA H 4.15 0.05 1 448 50 50 ARG C C 178.47 0.02 1 449 50 50 ARG CA C 59.15 0.1 1 450 50 50 ARG CB C 30.03 0.1 1 451 50 50 ARG CG C 27.14 0.1 1 452 50 50 ARG CD C 43.05 0.1 1 453 50 50 ARG N N 121.78 0.02 1 454 51 51 ILE H H 8.17 0.02 1 455 51 51 ILE HA H 3.81 0.05 1 456 51 51 ILE C C 178.31 0.02 1 457 51 51 ILE CA C 64.28 0.1 1 458 51 51 ILE CB C 38.07 0.1 1 459 51 51 ILE CG2 C 17.24 0.1 1 460 51 51 ILE CD1 C 13.01 0.1 1 461 51 51 ILE N N 120.47 0.02 1 462 52 52 LYS H H 8.05 0.02 1 463 52 52 LYS HA H 4.04 0.05 1 464 52 52 LYS C C 179.62 0.02 1 465 52 52 LYS CA C 59.73 0.1 1 466 52 52 LYS CB C 32.69 0.1 1 467 52 52 LYS CE C 42.07 0.1 1 468 52 52 LYS N N 120.84 0.02 1 469 53 53 GLN H H 8.30 0.02 1 470 53 53 GLN HA H 4.20 0.05 1 471 53 53 GLN C C 178.77 0.02 1 472 53 53 GLN CA C 58.36 0.1 1 473 53 53 GLN CB C 28.43 0.1 1 474 53 53 GLN CG C 33.95 0.1 1 475 53 53 GLN N N 120.41 0.02 1 476 54 54 GLU H H 8.67 0.02 1 477 54 54 GLU HA H 4.13 0.05 1 478 54 54 GLU C C 179.72 0.02 1 479 54 54 GLU CA C 59.04 0.1 1 480 54 54 GLU CB C 29.61 0.1 1 481 54 54 GLU CG C 36.54 0.1 1 482 54 54 GLU N N 122.61 0.02 1 483 55 55 LYS H H 8.53 0.02 1 484 55 55 LYS HA H 4.16 0.05 1 485 55 55 LYS HB2 H 1.92 0.05 2 486 55 55 LYS HB3 H 1.92 0.05 2 487 55 55 LYS C C 179.18 0.02 1 488 55 55 LYS CA C 59.06 0.1 1 489 55 55 LYS CB C 32.72 0.1 1 490 55 55 LYS CG C 25.60 0.1 1 491 55 55 LYS CD C 29.60 0.1 1 492 55 55 LYS CE C 42.16 0.1 1 493 55 55 LYS N N 121.18 0.02 1 494 56 56 ALA H H 8.10 0.02 1 495 56 56 ALA HA H 4.23 0.05 1 496 56 56 ALA HB H 1.52 0.05 1 497 56 56 ALA C C 180.26 0.02 1 498 56 56 ALA CA C 54.78 0.1 1 499 56 56 ALA CB C 18.06 0.1 1 500 56 56 ALA N N 123.27 0.02 1 501 57 57 ALA H H 8.28 0.02 1 502 57 57 ALA HA H 4.20 0.05 1 503 57 57 ALA HB H 1.53 0.05 1 504 57 57 ALA C C 179.87 0.02 1 505 57 57 ALA CA C 54.59 0.1 1 506 57 57 ALA CB C 18.07 0.1 1 507 57 57 ALA N N 122.71 0.02 1 508 58 58 ALA H H 8.12 0.02 1 509 58 58 ALA HA H 4.23 0.05 1 510 58 58 ALA HB H 1.51 0.05 1 511 58 58 ALA C C 180.43 0.02 1 512 58 58 ALA CA C 54.37 0.1 1 513 58 58 ALA CB C 18.06 0.1 1 514 58 58 ALA N N 121.83 0.02 1 515 59 59 LYS H H 8.03 0.02 1 516 59 59 LYS HA H 4.21 0.05 1 517 59 59 LYS HB2 H 1.94 0.05 2 518 59 59 LYS HB3 H 1.94 0.05 2 519 59 59 LYS C C 178.21 0.02 1 520 59 59 LYS CA C 59.04 0.1 1 521 59 59 LYS CB C 32.43 0.1 1 522 59 59 LYS CG C 24.83 0.1 1 523 59 59 LYS CD C 29.50 0.1 1 524 59 59 LYS CE C 42.14 0.1 1 525 59 59 LYS N N 121.06 0.02 1 526 60 60 LYS H H 7.94 0.02 1 527 60 60 LYS HA H 4.18 0.05 1 528 60 60 LYS C C 179.57 0.02 1 529 60 60 LYS CA C 59.07 0.1 1 530 60 60 LYS CB C 32.37 0.1 1 531 60 60 LYS CE C 43.29 0.1 1 532 60 60 LYS N N 120.15 0.02 1 533 61 61 GLU H H 8.26 0.02 1 534 61 61 GLU HA H 4.16 0.05 1 535 61 61 GLU HB2 H 2.12 0.05 2 536 61 61 GLU HB3 H 2.12 0.05 2 537 61 61 GLU HG2 H 2.40 0.05 2 538 61 61 GLU HG3 H 2.31 0.05 2 539 61 61 GLU C C 178.96 0.02 1 540 61 61 GLU CA C 59.01 0.1 1 541 61 61 GLU CB C 29.49 0.1 1 542 61 61 GLU CG C 36.19 0.1 1 543 61 61 GLU N N 120.37 0.02 1 544 62 62 ALA H H 8.23 0.02 1 545 62 62 ALA HA H 4.28 0.05 1 546 62 62 ALA HB H 1.56 0.05 1 547 62 62 ALA C C 181.14 0.02 1 548 62 62 ALA CA C 54.54 0.1 1 549 62 62 ALA CB C 18.03 0.1 1 550 62 62 ALA N N 123.66 0.02 1 551 63 63 GLU H H 8.46 0.02 1 552 63 63 GLU HA H 4.10 0.05 1 553 63 63 GLU C C 179.36 0.02 1 554 63 63 GLU CA C 59.04 0.1 1 555 63 63 GLU CB C 29.47 0.1 1 556 63 63 GLU CG C 36.79 0.1 1 557 63 63 GLU N N 120.34 0.02 1 558 64 64 ALA H H 8.21 0.02 1 559 64 64 ALA HA H 4.26 0.05 1 560 64 64 ALA HB H 1.53 0.05 1 561 64 64 ALA C C 180.51 0.02 1 562 64 64 ALA CA C 54.82 0.1 1 563 64 64 ALA CB C 18.05 0.1 1 564 64 64 ALA N N 123.93 0.02 1 565 65 65 ALA H H 8.26 0.02 1 566 65 65 ALA HA H 4.23 0.05 1 567 65 65 ALA HB H 1.52 0.05 1 568 65 65 ALA C C 180.49 0.02 1 569 65 65 ALA CA C 54.35 0.1 1 570 65 65 ALA CB C 17.90 0.1 1 571 65 65 ALA N N 122.59 0.02 1 572 66 66 ALA H H 8.07 0.02 1 573 66 66 ALA HA H 4.22 0.05 1 574 66 66 ALA HB H 1.50 0.05 1 575 66 66 ALA C C 179.71 0.02 1 576 66 66 ALA CA C 54.66 0.1 1 577 66 66 ALA CB C 17.95 0.1 1 578 66 66 ALA N N 122.30 0.02 1 579 67 67 ALA H H 8.03 0.02 1 580 67 67 ALA HA H 4.22 0.05 1 581 67 67 ALA HB H 1.51 0.05 1 582 67 67 ALA C C 180.28 0.02 1 583 67 67 ALA CA C 54.09 0.1 1 584 67 67 ALA CB C 17.96 0.1 1 585 67 67 ALA N N 121.34 0.02 1 586 68 68 ALA H H 8.02 0.02 1 587 68 68 ALA HA H 4.22 0.05 1 588 68 68 ALA HB H 1.49 0.05 1 589 68 68 ALA C C 179.74 0.02 1 590 68 68 ALA CA C 53.82 0.1 1 591 68 68 ALA CB C 18.07 0.1 1 592 68 68 ALA N N 121.54 0.02 1 593 69 69 ALA H H 7.95 0.02 1 594 69 69 ALA HA H 4.19 0.05 1 595 69 69 ALA HB H 1.48 0.05 1 596 69 69 ALA C C 179.72 0.02 1 597 69 69 ALA CA C 54.53 0.1 1 598 69 69 ALA CB C 18.19 0.1 1 599 69 69 ALA N N 121.15 0.02 1 600 70 70 ASN H H 8.14 0.02 1 601 70 70 ASN HA H 4.59 0.05 1 602 70 70 ASN HB2 H 2.84 0.05 2 603 70 70 ASN HB3 H 2.84 0.05 2 604 70 70 ASN C C 176.26 0.02 1 605 70 70 ASN CA C 54.60 0.1 1 606 70 70 ASN CB C 38.62 0.1 1 607 70 70 ASN N N 116.90 0.02 1 608 71 71 ALA H H 7.89 0.02 1 609 71 71 ALA HA H 4.24 0.05 1 610 71 71 ALA HB H 1.48 0.05 1 611 71 71 ALA C C 178.54 0.02 1 612 71 71 ALA CA C 53.52 0.1 1 613 71 71 ALA CB C 18.60 0.1 1 614 71 71 ALA N N 122.68 0.02 1 615 72 72 LYS H H 7.86 0.02 1 616 72 72 LYS HA H 4.23 0.05 1 617 72 72 LYS HB2 H 1.84 0.05 2 618 72 72 LYS HB3 H 1.84 0.05 2 619 72 72 LYS HD2 H 1.70 0.05 2 620 72 72 LYS HD3 H 1.70 0.05 2 621 72 72 LYS HE2 H 2.99 0.05 2 622 72 72 LYS HE3 H 2.99 0.05 2 623 72 72 LYS C C 176.99 0.02 1 624 72 72 LYS CA C 56.89 0.1 1 625 72 72 LYS CB C 32.90 0.1 1 626 72 72 LYS CG C 24.96 0.1 1 627 72 72 LYS CD C 29.19 0.1 1 628 72 72 LYS CE C 42.19 0.1 1 629 72 72 LYS N N 118.48 0.02 1 630 73 73 LYS H H 7.99 0.02 1 631 73 73 LYS HA H 4.28 0.05 1 632 73 73 LYS HB2 H 1.84 0.05 2 633 73 73 LYS HB3 H 1.84 0.05 2 634 73 73 LYS HG2 H 1.52 0.05 2 635 73 73 LYS HG3 H 1.41 0.05 2 636 73 73 LYS HD2 H 1.71 0.05 2 637 73 73 LYS HD3 H 1.71 0.05 2 638 73 73 LYS HE2 H 3.00 0.05 2 639 73 73 LYS HE3 H 3.00 0.05 2 640 73 73 LYS C C 176.84 0.02 1 641 73 73 LYS CA C 56.84 0.1 1 642 73 73 LYS CB C 33.00 0.1 1 643 73 73 LYS CG C 24.90 0.1 1 644 73 73 LYS CD C 29.37 0.1 1 645 73 73 LYS CE C 42.21 0.1 1 646 73 73 LYS N N 121.51 0.02 1 647 74 74 VAL H H 8.07 0.02 1 648 74 74 VAL HA H 4.09 0.05 1 649 74 74 VAL HB H 2.09 0.05 1 650 74 74 VAL HG1 H 0.95 0.05 2 651 74 74 VAL HG2 H 0.95 0.05 2 652 74 74 VAL C C 175.87 0.02 1 653 74 74 VAL CA C 62.16 0.1 1 654 74 74 VAL CB C 32.68 0.1 1 655 74 74 VAL CG1 C 21.08 0.1 2 656 74 74 VAL CG2 C 20.49 0.1 2 657 74 74 VAL N N 120.56 0.02 1 658 75 75 ALA H H 8.31 0.02 1 659 75 75 ALA HA H 4.29 0.05 1 660 75 75 ALA HB H 1.38 0.05 1 661 75 75 ALA C C 177.42 0.02 1 662 75 75 ALA CA C 52.05 0.1 1 663 75 75 ALA CB C 19.23 0.1 1 664 75 75 ALA N N 128.02 0.02 1 665 76 76 LYS H H 8.36 0.02 1 666 76 76 LYS HA H 4.30 0.05 1 667 76 76 LYS HB2 H 1.78 0.05 2 668 76 76 LYS HB3 H 1.78 0.05 2 669 76 76 LYS HG2 H 1.42 0.05 2 670 76 76 LYS HG3 H 1.42 0.05 2 671 76 76 LYS HD2 H 1.71 0.05 2 672 76 76 LYS HD3 H 1.71 0.05 2 673 76 76 LYS HE2 H 3.00 0.05 2 674 76 76 LYS HE3 H 3.00 0.05 2 675 76 76 LYS C C 176.33 0.02 1 676 76 76 LYS CA C 56.17 0.1 1 677 76 76 LYS CB C 33.17 0.1 1 678 76 76 LYS CG C 24.61 0.1 1 679 76 76 LYS CD C 29.14 0.1 1 680 76 76 LYS CE C 42.10 0.1 1 681 76 76 LYS N N 121.72 0.02 1 682 77 77 VAL H H 8.33 0.02 1 683 77 77 VAL HA H 4.07 0.05 1 684 77 77 VAL HB H 2.00 0.05 1 685 77 77 VAL HG1 H 0.90 0.05 2 686 77 77 VAL HG2 H 0.90 0.05 2 687 77 77 VAL C C 175.54 0.02 1 688 77 77 VAL CA C 61.96 0.1 1 689 77 77 VAL CB C 32.97 0.1 1 690 77 77 VAL CG1 C 20.86 0.1 2 691 77 77 VAL CG2 C 20.86 0.1 2 692 77 77 VAL N N 123.10 0.02 1 693 78 78 ASP H H 8.61 0.02 1 694 78 78 ASP HA H 4.88 0.05 1 695 78 78 ASP C C 174.88 0.02 1 696 78 78 ASP CA C 51.90 0.1 1 697 78 78 ASP CB C 41.26 0.1 1 698 78 78 ASP N N 126.86 0.02 1 699 79 79 PRO HA H 4.39 0.05 1 700 79 79 PRO HB2 H 2.32 0.05 2 701 79 79 PRO HB3 H 2.32 0.05 2 702 79 79 PRO HG2 H 1.98 0.05 2 703 79 79 PRO HG3 H 1.98 0.05 2 704 79 79 PRO HD2 H 3.87 0.05 2 705 79 79 PRO HD3 H 3.87 0.05 2 706 79 79 PRO C C 177.13 0.02 1 707 79 79 PRO CA C 63.42 0.1 1 708 79 79 PRO CB C 32.24 0.1 1 709 79 79 PRO CG C 27.25 0.1 1 710 79 79 PRO CD C 50.88 0.1 1 711 80 80 LEU H H 8.37 0.02 1 712 80 80 LEU HA H 4.28 0.05 1 713 80 80 LEU HD1 H 0.92 0.05 2 714 80 80 LEU HD2 H 0.92 0.05 2 715 80 80 LEU C C 177.45 0.02 1 716 80 80 LEU CA C 55.19 0.1 1 717 80 80 LEU CB C 41.76 0.1 1 718 80 80 LEU CG C 26.99 0.1 1 719 80 80 LEU CD1 C 24.92 0.1 2 720 80 80 LEU CD2 C 23.15 0.1 2 721 80 80 LEU N N 120.25 0.02 1 722 81 81 LYS H H 8.03 0.02 1 723 81 81 LYS HA H 4.34 0.05 1 724 81 81 LYS HB2 H 1.89 0.05 2 725 81 81 LYS HB3 H 1.89 0.05 2 726 81 81 LYS HG2 H 1.41 0.05 2 727 81 81 LYS HG3 H 1.41 0.05 2 728 81 81 LYS HD2 H 1.70 0.05 2 729 81 81 LYS HD3 H 1.70 0.05 2 730 81 81 LYS HE2 H 2.99 0.05 2 731 81 81 LYS HE3 H 2.99 0.05 2 732 81 81 LYS C C 175.39 0.02 1 733 81 81 LYS CA C 55.95 0.1 1 734 81 81 LYS CB C 33.13 0.1 1 735 81 81 LYS CG C 24.62 0.1 1 736 81 81 LYS CD C 29.03 0.1 1 737 81 81 LYS CE C 42.17 0.1 1 738 81 81 LYS N N 122.33 0.02 1 739 82 82 MET H H 8.10 0.02 1 740 82 82 MET N N 119.39 0.02 1 stop_ save_