data_50360 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; BBP28(23-148) oxidized ; _BMRB_accession_number 50360 _BMRB_flat_file_name bmr50360.str _Entry_type original _Submission_date 2020-06-25 _Accession_date 2020-06-25 _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 Fridmanis J. . . 2 Otikovs M. . . 3 Brangulis K. . . 4 Jaudzems K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 848 "13C chemical shifts" 615 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50362 'BBP28(50-148) reduced' stop_ _Original_release_date 2020-07-13 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of Borrelia burgdorferi outer surface lipoprotein BBP28, a member of the mlp protein family ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32949018 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fridmanis Jekabs . . 2 Otikovs Martins . . 3 Brangulis Kalvis . . 4 Tars Kaspars . . 5 Jaudzems Kristaps . . stop_ _Journal_abbreviation 'Proteins: Struct. Funct. Bioinf.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Surface protein, mlp lipoprotein family' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17203.91 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; MKHHHHHHPMSDYDIPTTEN LYFQGAMGNDTLKNNAQQTK SRGKRDLTQKEATPEKPKSK EELLREKLSEDQKTHLDWLK EALGNDGEFDKFLGYDESKI KTALDHIKSELDKCNGNDAD QQKTTFKQTVQGALSGGIDG FGSNNAVTTCGNGS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 PRO 10 MET 11 SER 12 ASP 13 TYR 14 ASP 15 ILE 16 PRO 17 THR 18 THR 19 GLU 20 ASN 21 LEU 22 TYR 23 PHE 24 GLN 25 GLY 26 ALA 27 MET 28 GLY 29 ASN 30 ASP 31 THR 32 LEU 33 LYS 34 ASN 35 ASN 36 ALA 37 GLN 38 GLN 39 THR 40 LYS 41 SER 42 ARG 43 GLY 44 LYS 45 ARG 46 ASP 47 LEU 48 THR 49 GLN 50 LYS 51 GLU 52 ALA 53 THR 54 PRO 55 GLU 56 LYS 57 PRO 58 LYS 59 SER 60 LYS 61 GLU 62 GLU 63 LEU 64 LEU 65 ARG 66 GLU 67 LYS 68 LEU 69 SER 70 GLU 71 ASP 72 GLN 73 LYS 74 THR 75 HIS 76 LEU 77 ASP 78 TRP 79 LEU 80 LYS 81 GLU 82 ALA 83 LEU 84 GLY 85 ASN 86 ASP 87 GLY 88 GLU 89 PHE 90 ASP 91 LYS 92 PHE 93 LEU 94 GLY 95 TYR 96 ASP 97 GLU 98 SER 99 LYS 100 ILE 101 LYS 102 THR 103 ALA 104 LEU 105 ASP 106 HIS 107 ILE 108 LYS 109 SER 110 GLU 111 LEU 112 ASP 113 LYS 114 CYS 115 ASN 116 GLY 117 ASN 118 ASP 119 ALA 120 ASP 121 GLN 122 GLN 123 LYS 124 THR 125 THR 126 PHE 127 LYS 128 GLN 129 THR 130 VAL 131 GLN 132 GLY 133 ALA 134 LEU 135 SER 136 GLY 137 GLY 138 ILE 139 ASP 140 GLY 141 PHE 142 GLY 143 SER 144 ASN 145 ASN 146 ALA 147 VAL 148 THR 149 THR 150 CYS 151 GLY 152 ASN 153 GLY 154 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 'Borreliella burgdorferi' 224326 Bacteria . Borreliella burgdorferi 'ATCC 35210 / B31 / CIP 102532 / DSM 4680' 'mlpA, BB_P28' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . plasmid pETM11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM U-C13, N15 BB_P28, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.03 '% w/v' 'natural abundance' EDTA 1 mM 'natural abundance' $entity_1 2 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _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' 0.08 0.01 M pH 6.8 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.77 internal indirect . . . . water H 1 protons ppm 4.77 internal direct . . . 1 water N 15 protons ppm 4.77 internal indirect . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CO)CA' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 HIS HA H 4.841 0.020 1 2 8 8 HIS HB2 H 3.005 0.020 1 3 8 8 HIS HB3 H 3.005 0.020 1 4 8 8 HIS CA C 53.869 0.3 1 5 8 8 HIS CB C 29.792 0.3 1 6 9 9 PRO HA H 4.393 0.020 1 7 9 9 PRO HB2 H 2.264 0.020 1 8 9 9 PRO HB3 H 2.264 0.020 1 9 9 9 PRO HG2 H 1.934 0.020 1 10 9 9 PRO HG3 H 1.934 0.020 1 11 9 9 PRO HD2 H 3.611 0.020 2 12 9 9 PRO HD3 H 3.443 0.020 2 13 9 9 PRO CA C 63.381 0.3 1 14 9 9 PRO CB C 32.043 0.3 1 15 9 9 PRO CG C 27.359 0.3 1 16 9 9 PRO CD C 50.586 0.3 1 17 10 10 MET H H 8.708 0.020 1 18 10 10 MET HA H 4.498 0.020 1 19 10 10 MET HB2 H 2.000 0.020 2 20 10 10 MET HB3 H 2.125 0.020 2 21 10 10 MET HG2 H 2.547 0.020 1 22 10 10 MET HG3 H 2.547 0.020 1 23 10 10 MET C C 176.341 0.3 1 24 10 10 MET CA C 55.654 0.3 1 25 10 10 MET CB C 32.782 0.3 1 26 10 10 MET CG C 32.120 0.3 1 27 10 10 MET N N 120.346 0.3 1 28 11 11 SER H H 8.260 0.020 1 29 11 11 SER HA H 4.430 0.020 1 30 11 11 SER HB2 H 3.855 0.020 2 31 11 11 SER HB3 H 3.769 0.020 2 32 11 11 SER C C 174.255 0.3 1 33 11 11 SER CA C 58.429 0.3 1 34 11 11 SER CB C 63.982 0.3 1 35 11 11 SER N N 116.158 0.3 1 36 12 12 ASP H H 8.322 0.020 1 37 12 12 ASP HA H 4.526 0.020 1 38 12 12 ASP HB2 H 2.575 0.020 2 39 12 12 ASP HB3 H 2.460 0.020 2 40 12 12 ASP C C 175.825 0.3 1 41 12 12 ASP CA C 54.772 0.3 1 42 12 12 ASP CB C 40.905 0.3 1 43 12 12 ASP N N 121.906 0.3 1 44 13 13 TYR H H 7.890 0.020 1 45 13 13 TYR HA H 4.528 0.020 1 46 13 13 TYR HB2 H 3.066 0.020 2 47 13 13 TYR HB3 H 2.870 0.020 2 48 13 13 TYR HD1 H 7.064 0.020 1 49 13 13 TYR HD2 H 7.064 0.020 1 50 13 13 TYR HE1 H 6.782 0.020 1 51 13 13 TYR HE2 H 6.782 0.020 1 52 13 13 TYR C C 175.246 0.3 1 53 13 13 TYR CA C 57.744 0.3 1 54 13 13 TYR CB C 38.823 0.3 1 55 13 13 TYR CD1 C 133.136 0.3 1 56 13 13 TYR CD2 C 133.136 0.3 1 57 13 13 TYR CE1 C 118.147 0.3 1 58 13 13 TYR CE2 C 118.147 0.3 1 59 13 13 TYR N N 118.810 0.3 1 60 14 14 ASP H H 8.131 0.020 1 61 14 14 ASP HA H 4.599 0.020 1 62 14 14 ASP HB2 H 2.644 0.020 2 63 14 14 ASP HB3 H 2.553 0.020 2 64 14 14 ASP C C 175.372 0.3 1 65 14 14 ASP CA C 54.247 0.3 1 66 14 14 ASP CB C 41.343 0.3 1 67 14 14 ASP N N 121.615 0.3 1 68 15 15 ILE H H 7.908 0.020 1 69 15 15 ILE HA H 4.393 0.020 1 70 15 15 ILE HB H 1.835 0.020 1 71 15 15 ILE HG12 H 1.490 0.020 2 72 15 15 ILE HG13 H 1.125 0.020 2 73 15 15 ILE HG2 H 0.925 0.020 1 74 15 15 ILE HD1 H 0.841 0.020 1 75 15 15 ILE C C 174.557 0.3 1 76 15 15 ILE CA C 58.862 0.3 1 77 15 15 ILE CB C 38.654 0.3 1 78 15 15 ILE CG1 C 27.025 0.3 1 79 15 15 ILE CG2 C 17.195 0.3 1 80 15 15 ILE CD1 C 12.844 0.3 1 81 15 15 ILE N N 122.199 0.3 1 82 16 16 PRO HA H 4.498 0.020 1 83 16 16 PRO HB2 H 2.286 0.020 2 84 16 16 PRO HB3 H 1.902 0.020 2 85 16 16 PRO HG2 H 1.975 0.020 1 86 16 16 PRO HG3 H 1.975 0.020 1 87 16 16 PRO HD2 H 3.868 0.020 2 88 16 16 PRO HD3 H 3.672 0.020 2 89 16 16 PRO CA C 63.235 0.3 1 90 16 16 PRO CB C 32.140 0.3 1 91 16 16 PRO CG C 27.285 0.3 1 92 16 16 PRO CD C 50.986 0.3 1 93 17 17 THR H H 8.280 0.020 1 94 17 17 THR HA H 4.394 0.020 1 95 17 17 THR HB H 4.284 0.020 1 96 17 17 THR HG2 H 1.211 0.020 1 97 17 17 THR C C 174.934 0.3 1 98 17 17 THR CA C 61.852 0.3 1 99 17 17 THR CB C 69.832 0.3 1 100 17 17 THR CG2 C 21.713 0.3 1 101 17 17 THR N N 114.494 0.3 1 102 18 18 THR H H 8.088 0.020 1 103 18 18 THR HA H 4.392 0.020 1 104 18 18 THR HB H 4.261 0.020 1 105 18 18 THR HG2 H 1.203 0.020 1 106 18 18 THR C C 174.753 0.3 1 107 18 18 THR CA C 62.368 0.3 1 108 18 18 THR CB C 69.608 0.3 1 109 18 18 THR CG2 C 21.814 0.3 1 110 18 18 THR N N 115.247 0.3 1 111 19 19 GLU H H 8.376 0.020 1 112 19 19 GLU HA H 4.240 0.020 1 113 19 19 GLU HB2 H 1.983 0.020 1 114 19 19 GLU HB3 H 1.983 0.020 1 115 19 19 GLU HG2 H 2.281 0.020 1 116 19 19 GLU HG3 H 2.281 0.020 1 117 19 19 GLU C C 176.063 0.3 1 118 19 19 GLU CA C 57.004 0.3 1 119 19 19 GLU CB C 30.117 0.3 1 120 19 19 GLU CG C 36.181 0.3 1 121 19 19 GLU N N 122.595 0.3 1 122 20 20 ASN H H 8.345 0.020 1 123 20 20 ASN HA H 4.631 0.020 1 124 20 20 ASN HB2 H 2.737 0.020 1 125 20 20 ASN HB3 H 2.737 0.020 1 126 20 20 ASN C C 175.198 0.3 1 127 20 20 ASN CA C 53.521 0.3 1 128 20 20 ASN CB C 38.722 0.3 1 129 20 20 ASN N N 119.299 0.3 1 130 21 21 LEU H H 8.078 0.020 1 131 21 21 LEU HA H 4.192 0.020 1 132 21 21 LEU HB2 H 1.467 0.020 2 133 21 21 LEU HB3 H 1.332 0.020 2 134 21 21 LEU HG H 1.467 0.020 1 135 21 21 LEU HD1 H 0.782 0.020 1 136 21 21 LEU HD2 H 0.782 0.020 1 137 21 21 LEU C C 177.108 0.3 1 138 21 21 LEU CA C 55.648 0.3 1 139 21 21 LEU CB C 42.220 0.3 1 140 21 21 LEU CG C 26.652 0.3 1 141 21 21 LEU CD2 C 23.358 0.3 1 142 21 21 LEU N N 122.210 0.3 1 143 22 22 TYR H H 8.018 0.020 1 144 22 22 TYR HA H 4.484 0.020 1 145 22 22 TYR HB2 H 2.958 0.020 2 146 22 22 TYR HB3 H 2.851 0.020 2 147 22 22 TYR HD1 H 6.984 0.020 1 148 22 22 TYR HD2 H 6.984 0.020 1 149 22 22 TYR HE1 H 6.756 0.020 1 150 22 22 TYR HE2 H 6.756 0.020 1 151 22 22 TYR C C 175.611 0.3 1 152 22 22 TYR CA C 57.991 0.3 1 153 22 22 TYR CB C 38.604 0.3 1 154 22 22 TYR CD1 C 133.136 0.3 1 155 22 22 TYR CD2 C 133.136 0.3 1 156 22 22 TYR CE1 C 118.114 0.3 1 157 22 22 TYR CE2 C 118.114 0.3 1 158 22 22 TYR N N 119.563 0.3 1 159 23 23 PHE H H 7.972 0.020 1 160 23 23 PHE HA H 4.538 0.020 1 161 23 23 PHE HB2 H 3.090 0.020 1 162 23 23 PHE HB3 H 3.090 0.020 1 163 23 23 PHE HD1 H 7.204 0.020 1 164 23 23 PHE HD2 H 7.204 0.020 1 165 23 23 PHE HE1 H 7.311 0.020 1 166 23 23 PHE HE2 H 7.311 0.020 1 167 23 23 PHE C C 175.523 0.3 1 168 23 23 PHE CA C 57.974 0.3 1 169 23 23 PHE CB C 39.481 0.3 1 170 23 23 PHE CD1 C 131.799 0.3 1 171 23 23 PHE CD2 C 131.799 0.3 1 172 23 23 PHE CE1 C 131.589 0.3 1 173 23 23 PHE CE2 C 131.589 0.3 1 174 23 23 PHE N N 121.232 0.3 1 175 24 24 GLN H H 8.231 0.020 1 176 24 24 GLN HA H 4.224 0.020 1 177 24 24 GLN HB2 H 2.074 0.020 2 178 24 24 GLN HB3 H 1.920 0.020 2 179 24 24 GLN HG2 H 2.291 0.020 1 180 24 24 GLN HG3 H 2.291 0.020 1 181 24 24 GLN C C 176.127 0.3 1 182 24 24 GLN CA C 56.120 0.3 1 183 24 24 GLN CB C 29.321 0.3 1 184 24 24 GLN CG C 33.807 0.3 1 185 24 24 GLN N N 122.101 0.3 1 186 25 25 GLY H H 7.876 0.020 1 187 25 25 GLY HA2 H 3.882 0.020 1 188 25 25 GLY HA3 H 3.882 0.020 1 189 25 25 GLY C C 173.742 0.3 1 190 25 25 GLY CA C 45.315 0.3 1 191 25 25 GLY N N 109.242 0.3 1 192 26 26 ALA H H 8.124 0.020 1 193 26 26 ALA HA H 4.326 0.020 1 194 26 26 ALA HB H 1.373 0.020 1 195 26 26 ALA C C 177.833 0.3 1 196 26 26 ALA CA C 52.565 0.3 1 197 26 26 ALA CB C 19.285 0.3 1 198 26 26 ALA N N 123.593 0.3 1 199 27 27 MET H H 8.344 0.020 1 200 27 27 MET HA H 4.461 0.020 1 201 27 27 MET HB2 H 2.004 0.020 1 202 27 27 MET HB3 H 2.004 0.020 1 203 27 27 MET HG2 H 2.107 0.020 1 204 27 27 MET HG3 H 2.107 0.020 1 205 27 27 MET HE H 2.061 0.020 1 206 27 27 MET C C 176.737 0.3 1 207 27 27 MET CA C 55.503 0.3 1 208 27 27 MET CB C 32.778 0.3 1 209 27 27 MET CG C 33.015 0.3 1 210 27 27 MET CE C 16.962 0.3 1 211 27 27 MET N N 119.035 0.3 1 212 28 28 GLY H H 8.312 0.020 1 213 28 28 GLY HA2 H 3.944 0.020 1 214 28 28 GLY HA3 H 3.944 0.020 1 215 28 28 GLY C C 173.968 0.3 1 216 28 28 GLY CA C 45.376 0.3 1 217 28 28 GLY N N 109.480 0.3 1 218 29 29 ASN H H 8.319 0.020 1 219 29 29 ASN HA H 4.644 0.020 1 220 29 29 ASN HB2 H 2.778 0.020 1 221 29 29 ASN HB3 H 2.778 0.020 1 222 29 29 ASN HD21 H 7.569 0.020 1 223 29 29 ASN HD22 H 6.900 0.020 1 224 29 29 ASN C C 175.267 0.3 1 225 29 29 ASN CA C 53.434 0.3 1 226 29 29 ASN CB C 38.804 0.3 1 227 29 29 ASN N N 118.693 0.3 1 228 29 29 ASN ND2 N 112.536 0.3 1 229 30 30 ASP H H 8.458 0.020 1 230 30 30 ASP HA H 4.627 0.020 1 231 30 30 ASP HB2 H 2.663 0.020 1 232 30 30 ASP HB3 H 2.663 0.020 1 233 30 30 ASP C C 176.701 0.3 1 234 30 30 ASP CA C 54.928 0.3 1 235 30 30 ASP CB C 41.015 0.3 1 236 30 30 ASP N N 120.850 0.3 1 237 31 31 THR H H 8.081 0.020 1 238 31 31 THR HA H 4.226 0.020 1 239 31 31 THR HB H 4.243 0.020 1 240 31 31 THR HG2 H 1.208 0.020 1 241 31 31 THR C C 175.025 0.3 1 242 31 31 THR CA C 62.887 0.3 1 243 31 31 THR CB C 69.569 0.3 1 244 31 31 THR CG2 C 21.646 0.3 1 245 31 31 THR N N 114.210 0.3 1 246 32 32 LEU H H 8.090 0.020 1 247 32 32 LEU HA H 4.299 0.020 1 248 32 32 LEU HB2 H 1.585 0.020 2 249 32 32 LEU HB3 H 1.699 0.020 2 250 32 32 LEU HG H 1.590 0.020 1 251 32 32 LEU HD1 H 0.868 0.020 1 252 32 32 LEU HD2 H 0.868 0.020 1 253 32 32 LEU C C 177.697 0.3 1 254 32 32 LEU CA C 55.692 0.3 1 255 32 32 LEU CB C 41.892 0.3 1 256 32 32 LEU CG C 27.046 0.3 1 257 32 32 LEU CD1 C 23.397 0.3 1 258 32 32 LEU CD2 C 23.398 0.3 1 259 32 32 LEU N N 123.190 0.3 1 260 33 33 LYS H H 8.086 0.020 1 261 33 33 LYS HA H 4.243 0.020 1 262 33 33 LYS HB2 H 1.758 0.020 1 263 33 33 LYS HB3 H 1.758 0.020 1 264 33 33 LYS HG2 H 1.435 0.020 1 265 33 33 LYS HG3 H 1.435 0.020 1 266 33 33 LYS HD2 H 1.629 0.020 1 267 33 33 LYS HD3 H 1.629 0.020 1 268 33 33 LYS HE2 H 2.899 0.020 1 269 33 33 LYS HE3 H 2.899 0.020 1 270 33 33 LYS C C 176.565 0.3 1 271 33 33 LYS CA C 56.787 0.3 1 272 33 33 LYS CB C 32.940 0.3 1 273 33 33 LYS CG C 24.696 0.3 1 274 33 33 LYS CD C 29.096 0.3 1 275 33 33 LYS CE C 41.796 0.3 1 276 33 33 LYS N N 120.953 0.3 1 277 34 34 ASN H H 8.295 0.020 1 278 34 34 ASN HA H 4.714 0.020 1 279 34 34 ASN HB2 H 2.831 0.020 1 280 34 34 ASN HB3 H 2.831 0.020 1 281 34 34 ASN C C 175.236 0.3 1 282 34 34 ASN CA C 53.729 0.3 1 283 34 34 ASN CB C 38.840 0.3 1 284 34 34 ASN N N 118.897 0.3 1 285 35 35 ASN H H 8.354 0.020 1 286 35 35 ASN HA H 4.674 0.020 1 287 35 35 ASN HB2 H 2.787 0.020 1 288 35 35 ASN HB3 H 2.787 0.020 1 289 35 35 ASN HD21 H 7.585 0.020 1 290 35 35 ASN HD22 H 6.898 0.020 1 291 35 35 ASN C C 175.337 0.3 1 292 35 35 ASN CA C 53.536 0.3 1 293 35 35 ASN CB C 38.664 0.3 1 294 35 35 ASN N N 119.385 0.3 1 295 35 35 ASN ND2 N 112.491 0.3 1 296 36 36 ALA H H 8.210 0.020 1 297 36 36 ALA HA H 4.275 0.020 1 298 36 36 ALA HB H 1.410 0.020 1 299 36 36 ALA C C 178.044 0.3 1 300 36 36 ALA CA C 53.185 0.3 1 301 36 36 ALA CB C 18.991 0.3 1 302 36 36 ALA N N 123.844 0.3 1 303 37 37 GLN H H 8.247 0.020 1 304 37 37 GLN HA H 4.253 0.020 1 305 37 37 GLN HB2 H 2.087 0.020 2 306 37 37 GLN HB3 H 2.026 0.020 2 307 37 37 GLN HG2 H 2.381 0.020 1 308 37 37 GLN HG3 H 2.381 0.020 1 309 37 37 GLN C C 176.414 0.3 1 310 37 37 GLN CA C 56.332 0.3 1 311 37 37 GLN CB C 29.206 0.3 1 312 37 37 GLN CG C 33.815 0.3 1 313 37 37 GLN N N 118.432 0.3 1 314 38 38 GLN H H 8.302 0.020 1 315 38 38 GLN HA H 4.356 0.020 1 316 38 38 GLN HB2 H 2.124 0.020 2 317 38 38 GLN HB3 H 2.011 0.020 2 318 38 38 GLN HG2 H 2.382 0.020 1 319 38 38 GLN HG3 H 2.382 0.020 1 320 38 38 GLN C C 176.399 0.3 1 321 38 38 GLN CA C 56.355 0.3 1 322 38 38 GLN CB C 29.232 0.3 1 323 38 38 GLN CG C 33.840 0.3 1 324 38 38 GLN N N 120.837 0.3 1 325 39 39 THR H H 8.164 0.020 1 326 39 39 THR HA H 4.288 0.020 1 327 39 39 THR HB H 4.285 0.020 1 328 39 39 THR HG2 H 1.200 0.020 1 329 39 39 THR C C 174.753 0.3 1 330 39 39 THR CA C 62.299 0.3 1 331 39 39 THR CB C 69.722 0.3 1 332 39 39 THR CG2 C 21.650 0.3 1 333 39 39 THR N N 115.415 0.3 1 334 40 40 LYS H H 8.304 0.020 1 335 40 40 LYS HA H 4.347 0.020 1 336 40 40 LYS HB2 H 1.809 0.020 1 337 40 40 LYS HB3 H 1.809 0.020 1 338 40 40 LYS HG2 H 1.431 0.020 1 339 40 40 LYS HG3 H 1.431 0.020 1 340 40 40 LYS HD2 H 1.677 0.020 1 341 40 40 LYS HD3 H 1.677 0.020 1 342 40 40 LYS HE2 H 2.989 0.020 1 343 40 40 LYS HE3 H 2.989 0.020 1 344 40 40 LYS C C 176.676 0.3 1 345 40 40 LYS CA C 56.697 0.3 1 346 40 40 LYS CB C 32.906 0.3 1 347 40 40 LYS CG C 24.748 0.3 1 348 40 40 LYS CD C 29.086 0.3 1 349 40 40 LYS CE C 42.143 0.3 1 350 40 40 LYS N N 123.595 0.3 1 351 41 41 SER H H 8.290 0.020 1 352 41 41 SER HA H 4.430 0.020 1 353 41 41 SER HB2 H 3.893 0.020 1 354 41 41 SER HB3 H 3.893 0.020 1 355 41 41 SER C C 174.572 0.3 1 356 41 41 SER CA C 58.528 0.3 1 357 41 41 SER CB C 63.803 0.3 1 358 41 41 SER N N 116.761 0.3 1 359 42 42 ARG H H 8.417 0.020 1 360 42 42 ARG HA H 4.348 0.020 1 361 42 42 ARG HB2 H 1.906 0.020 2 362 42 42 ARG HB3 H 1.780 0.020 2 363 42 42 ARG HG2 H 1.673 0.020 1 364 42 42 ARG HG3 H 1.673 0.020 1 365 42 42 ARG HD2 H 3.194 0.020 1 366 42 42 ARG HD3 H 3.194 0.020 1 367 42 42 ARG C C 176.776 0.3 1 368 42 42 ARG CA C 56.595 0.3 1 369 42 42 ARG CB C 30.665 0.3 1 370 42 42 ARG CG C 27.205 0.3 1 371 42 42 ARG CD C 43.459 0.3 1 372 42 42 ARG N N 123.195 0.3 1 373 43 43 GLY H H 8.404 0.020 1 374 43 43 GLY HA2 H 3.941 0.020 1 375 43 43 GLY HA3 H 3.941 0.020 1 376 43 43 GLY C C 173.923 0.3 1 377 43 43 GLY CA C 45.145 0.3 1 378 43 43 GLY N N 109.707 0.3 1 379 44 44 LYS H H 8.204 0.020 1 380 44 44 LYS HA H 4.270 0.020 1 381 44 44 LYS HB2 H 1.753 0.020 1 382 44 44 LYS HB3 H 1.753 0.020 1 383 44 44 LYS HG2 H 1.441 0.020 1 384 44 44 LYS HG3 H 1.441 0.020 1 385 44 44 LYS C C 176.640 0.3 1 386 44 44 LYS CA C 56.336 0.3 1 387 44 44 LYS CB C 33.016 0.3 1 388 44 44 LYS CG C 24.803 0.3 1 389 44 44 LYS N N 121.090 0.3 1 390 45 45 ARG H H 8.380 0.020 1 391 45 45 ARG HA H 4.307 0.020 1 392 45 45 ARG HB2 H 1.818 0.020 2 393 45 45 ARG HB3 H 1.754 0.020 2 394 45 45 ARG HG2 H 1.608 0.020 1 395 45 45 ARG HG3 H 1.608 0.020 1 396 45 45 ARG HD2 H 3.184 0.020 1 397 45 45 ARG HD3 H 3.184 0.020 1 398 45 45 ARG C C 175.778 0.3 1 399 45 45 ARG CA C 56.260 0.3 1 400 45 45 ARG CB C 30.871 0.3 1 401 45 45 ARG CG C 27.060 0.3 1 402 45 45 ARG CD C 43.421 0.3 1 403 45 45 ARG N N 122.269 0.3 1 404 46 46 ASP H H 8.358 0.020 1 405 46 46 ASP HA H 4.617 0.020 1 406 46 46 ASP HB2 H 2.739 0.020 2 407 46 46 ASP HB3 H 2.591 0.020 2 408 46 46 ASP C C 176.369 0.3 1 409 46 46 ASP CA C 54.166 0.3 1 410 46 46 ASP CB C 41.134 0.3 1 411 46 46 ASP N N 121.755 0.3 1 412 47 47 LEU H H 8.353 0.020 1 413 47 47 LEU HA H 4.370 0.020 1 414 47 47 LEU HB2 H 1.685 0.020 2 415 47 47 LEU HB3 H 1.659 0.020 2 416 47 47 LEU HG H 1.649 0.020 1 417 47 47 LEU HD1 H 0.853 0.020 1 418 47 47 LEU HD2 H 0.853 0.020 1 419 47 47 LEU C C 177.788 0.3 1 420 47 47 LEU CA C 55.479 0.3 1 421 47 47 LEU CB C 42.001 0.3 1 422 47 47 LEU CG C 26.898 0.3 1 423 47 47 LEU CD1 C 23.299 0.3 1 424 47 47 LEU CD2 C 23.303 0.3 1 425 47 47 LEU N N 123.448 0.3 1 426 48 48 THR H H 8.236 0.020 1 427 48 48 THR HA H 4.268 0.020 1 428 48 48 THR HB H 4.230 0.020 1 429 48 48 THR HG2 H 1.209 0.020 1 430 48 48 THR C C 174.708 0.3 1 431 48 48 THR CA C 62.485 0.3 1 432 48 48 THR CB C 69.651 0.3 1 433 48 48 THR CG2 C 21.682 0.3 1 434 48 48 THR N N 113.911 0.3 1 435 49 49 GLN H H 8.195 0.020 1 436 49 49 GLN HA H 4.335 0.020 1 437 49 49 GLN HB2 H 2.119 0.020 2 438 49 49 GLN HB3 H 1.990 0.020 2 439 49 49 GLN HG2 H 2.351 0.020 1 440 49 49 GLN HG3 H 2.351 0.020 1 441 49 49 GLN HE21 H 7.508 0.020 1 442 49 49 GLN HE22 H 6.863 0.020 1 443 49 49 GLN C C 175.765 0.3 1 444 49 49 GLN CA C 55.956 0.3 1 445 49 49 GLN CB C 29.502 0.3 1 446 49 49 GLN CG C 33.785 0.3 1 447 49 49 GLN N N 122.447 0.3 1 448 49 49 GLN NE2 N 112.352 0.3 1 449 50 50 LYS H H 8.345 0.020 1 450 50 50 LYS HA H 4.303 0.020 1 451 50 50 LYS HB2 H 1.828 0.020 1 452 50 50 LYS HB3 H 1.828 0.020 1 453 50 50 LYS HG2 H 1.422 0.020 1 454 50 50 LYS HG3 H 1.422 0.020 1 455 50 50 LYS HD2 H 1.636 0.020 1 456 50 50 LYS HD3 H 1.636 0.020 1 457 50 50 LYS HE2 H 3.169 0.020 1 458 50 50 LYS HE3 H 3.169 0.020 1 459 50 50 LYS C C 176.491 0.3 1 460 50 50 LYS CA C 56.587 0.3 1 461 50 50 LYS CB C 33.046 0.3 1 462 50 50 LYS CG C 22.104 0.3 1 463 50 50 LYS CD C 26.766 0.3 1 464 50 50 LYS N N 123.109 0.3 1 465 51 51 GLU H H 8.427 0.020 1 466 51 51 GLU HA H 4.249 0.020 1 467 51 51 GLU HB2 H 2.035 0.020 2 468 51 51 GLU HB3 H 1.924 0.020 2 469 51 51 GLU HG2 H 2.226 0.020 1 470 51 51 GLU HG3 H 2.226 0.020 1 471 51 51 GLU C C 175.991 0.3 1 472 51 51 GLU CA C 56.533 0.3 1 473 51 51 GLU CB C 30.322 0.3 1 474 51 51 GLU CG C 36.234 0.3 1 475 51 51 GLU N N 122.089 0.3 1 476 52 52 ALA H H 8.369 0.020 1 477 52 52 ALA HA H 4.352 0.020 1 478 52 52 ALA HB H 1.380 0.020 1 479 52 52 ALA C C 177.546 0.3 1 480 52 52 ALA CA C 52.376 0.3 1 481 52 52 ALA CB C 19.210 0.3 1 482 52 52 ALA N N 125.498 0.3 1 483 53 53 THR H H 8.207 0.020 1 484 53 53 THR HA H 4.583 0.020 1 485 53 53 THR HB H 4.158 0.020 1 486 53 53 THR HG2 H 1.239 0.020 1 487 53 53 THR C C 172.881 0.3 1 488 53 53 THR CA C 59.646 0.3 1 489 53 53 THR CB C 69.688 0.3 1 490 53 53 THR CG2 C 21.422 0.3 1 491 53 53 THR N N 116.348 0.3 1 492 54 54 PRO HA H 4.413 0.020 1 493 54 54 PRO HB2 H 1.909 0.020 1 494 54 54 PRO HB3 H 1.909 0.020 1 495 54 54 PRO HG2 H 2.021 0.020 2 496 54 54 PRO HG3 H 1.980 0.020 2 497 54 54 PRO HD2 H 3.828 0.020 2 498 54 54 PRO HD3 H 3.703 0.020 2 499 54 54 PRO CA C 63.184 0.3 1 500 54 54 PRO CB C 32.126 0.3 1 501 54 54 PRO CG C 27.345 0.3 1 502 54 54 PRO CD C 51.010 0.3 1 503 55 55 GLU H H 8.481 0.020 1 504 55 55 GLU HA H 4.219 0.020 1 505 55 55 GLU HB2 H 1.990 0.020 2 506 55 55 GLU HB3 H 1.902 0.020 2 507 55 55 GLU HG2 H 2.281 0.020 1 508 55 55 GLU HG3 H 2.281 0.020 1 509 55 55 GLU C C 176.157 0.3 1 510 55 55 GLU CA C 56.492 0.3 1 511 55 55 GLU CB C 30.386 0.3 1 512 55 55 GLU CG C 32.140 0.3 1 513 55 55 GLU N N 121.598 0.3 1 514 56 56 LYS H H 8.343 0.020 1 515 56 56 LYS HA H 4.599 0.020 1 516 56 56 LYS HB2 H 1.809 0.020 2 517 56 56 LYS HB3 H 1.728 0.020 2 518 56 56 LYS HG2 H 1.455 0.020 1 519 56 56 LYS HG3 H 1.455 0.020 1 520 56 56 LYS HE2 H 3.010 0.020 1 521 56 56 LYS HE3 H 3.010 0.020 1 522 56 56 LYS C C 174.240 0.3 1 523 56 56 LYS CA C 54.089 0.3 1 524 56 56 LYS CB C 32.630 0.3 1 525 56 56 LYS CG C 24.415 0.3 1 526 56 56 LYS CE C 42.131 0.3 1 527 56 56 LYS N N 124.265 0.3 1 528 57 57 PRO HA H 4.429 0.020 1 529 57 57 PRO HB2 H 1.865 0.020 2 530 57 57 PRO HB3 H 2.280 0.020 2 531 57 57 PRO HG2 H 2.022 0.020 2 532 57 57 PRO HG3 H 1.991 0.020 2 533 57 57 PRO HD2 H 3.826 0.020 2 534 57 57 PRO HD3 H 3.621 0.020 2 535 57 57 PRO CA C 62.823 0.3 1 536 57 57 PRO CB C 32.164 0.3 1 537 57 57 PRO CG C 27.319 0.3 1 538 57 57 PRO CD C 50.612 0.3 1 539 58 58 LYS H H 8.372 0.020 1 540 58 58 LYS HA H 4.393 0.020 1 541 58 58 LYS HB2 H 1.720 0.020 2 542 58 58 LYS HB3 H 1.659 0.020 2 543 58 58 LYS HG2 H 1.564 0.020 2 544 58 58 LYS HG3 H 1.446 0.020 2 545 58 58 LYS HD2 H 1.582 0.020 1 546 58 58 LYS HD3 H 1.582 0.020 1 547 58 58 LYS HE2 H 2.950 0.020 1 548 58 58 LYS HE3 H 2.950 0.020 1 549 58 58 LYS C C 176.463 0.3 1 550 58 58 LYS CA C 56.284 0.3 1 551 58 58 LYS CB C 34.281 0.3 1 552 58 58 LYS CG C 25.880 0.3 1 553 58 58 LYS CD C 29.790 0.3 1 554 58 58 LYS CE C 42.416 0.3 1 555 58 58 LYS N N 122.620 0.3 1 556 59 59 SER H H 8.893 0.020 1 557 59 59 SER HA H 4.453 0.020 1 558 59 59 SER HB2 H 4.504 0.020 2 559 59 59 SER HB3 H 4.038 0.020 2 560 59 59 SER C C 174.317 0.3 1 561 59 59 SER CA C 57.044 0.3 1 562 59 59 SER CB C 65.436 0.3 1 563 59 59 SER N N 119.181 0.3 1 564 60 60 LYS H H 8.780 0.020 1 565 60 60 LYS HA H 3.959 0.020 1 566 60 60 LYS HB2 H 1.871 0.020 2 567 60 60 LYS HB3 H 1.762 0.020 2 568 60 60 LYS HG2 H 1.440 0.020 2 569 60 60 LYS HG3 H 1.566 0.020 2 570 60 60 LYS HD2 H 1.611 0.020 1 571 60 60 LYS HE2 H 2.920 0.020 1 572 60 60 LYS HE3 H 2.920 0.020 1 573 60 60 LYS C C 179.613 0.3 1 574 60 60 LYS CA C 59.974 0.3 1 575 60 60 LYS CB C 32.508 0.3 1 576 60 60 LYS CG C 25.371 0.3 1 577 60 60 LYS CD C 29.374 0.3 1 578 60 60 LYS CE C 42.262 0.3 1 579 60 60 LYS N N 121.016 0.3 1 580 61 61 GLU H H 8.747 0.020 1 581 61 61 GLU HA H 3.838 0.020 1 582 61 61 GLU HB2 H 1.976 0.020 2 583 61 61 GLU HB3 H 2.283 0.020 2 584 61 61 GLU HG2 H 1.722 0.020 1 585 61 61 GLU HG3 H 1.722 0.020 1 586 61 61 GLU C C 177.620 0.3 1 587 61 61 GLU CA C 59.976 0.3 1 588 61 61 GLU CB C 29.884 0.3 1 589 61 61 GLU CG C 32.396 0.3 1 590 61 61 GLU N N 119.642 0.3 1 591 62 62 GLU H H 7.954 0.020 1 592 62 62 GLU HA H 3.850 0.020 1 593 62 62 GLU HB2 H 1.996 0.020 1 594 62 62 GLU HB3 H 1.996 0.020 1 595 62 62 GLU HG2 H 2.284 0.020 2 596 62 62 GLU HG3 H 2.374 0.020 2 597 62 62 GLU C C 179.552 0.3 1 598 62 62 GLU CA C 59.904 0.3 1 599 62 62 GLU CB C 29.704 0.3 1 600 62 62 GLU CG C 37.171 0.3 1 601 62 62 GLU N N 120.239 0.3 1 602 63 63 LEU H H 8.339 0.020 1 603 63 63 LEU HA H 3.985 0.020 1 604 63 63 LEU HB2 H 1.810 0.020 2 605 63 63 LEU HB3 H 1.439 0.020 2 606 63 63 LEU HG H 1.630 0.020 1 607 63 63 LEU HD1 H 0.821 0.020 1 608 63 63 LEU HD2 H 0.821 0.020 1 609 63 63 LEU C C 179.569 0.3 1 610 63 63 LEU CA C 57.816 0.3 1 611 63 63 LEU CB C 42.001 0.3 1 612 63 63 LEU CG C 27.028 0.3 1 613 63 63 LEU CD1 C 25.415 0.3 1 614 63 63 LEU CD2 C 25.424 0.3 1 615 63 63 LEU N N 119.007 0.3 1 616 64 64 LEU H H 7.743 0.020 1 617 64 64 LEU HA H 4.227 0.020 1 618 64 64 LEU HB2 H 1.902 0.020 2 619 64 64 LEU HB3 H 1.761 0.020 2 620 64 64 LEU HG H 1.526 0.020 1 621 64 64 LEU HD1 H 1.057 0.020 2 622 64 64 LEU HD2 H 0.971 0.020 2 623 64 64 LEU C C 179.614 0.3 1 624 64 64 LEU CA C 57.504 0.3 1 625 64 64 LEU CB C 41.015 0.3 1 626 64 64 LEU CG C 27.605 0.3 1 627 64 64 LEU CD1 C 27.069 0.3 1 628 64 64 LEU CD2 C 22.090 0.3 1 629 64 64 LEU N N 119.672 0.3 1 630 65 65 ARG H H 8.465 0.020 1 631 65 65 ARG HA H 3.660 0.020 1 632 65 65 ARG HB2 H 1.922 0.020 2 633 65 65 ARG HB3 H 1.532 0.020 2 634 65 65 ARG HD2 H 3.333 0.020 2 635 65 65 ARG HD3 H 3.251 0.020 2 636 65 65 ARG C C 178.195 0.3 1 637 65 65 ARG CA C 60.942 0.3 1 638 65 65 ARG CB C 30.386 0.3 1 639 65 65 ARG CG C 27.527 0.3 1 640 65 65 ARG CD C 43.244 0.3 1 641 65 65 ARG N N 117.071 0.3 1 642 66 66 GLU H H 7.321 0.020 1 643 66 66 GLU HA H 4.123 0.020 1 644 66 66 GLU HB2 H 2.194 0.020 2 645 66 66 GLU HB3 H 2.114 0.020 2 646 66 66 GLU HG2 H 2.688 0.020 2 647 66 66 GLU HG3 H 2.337 0.020 2 648 66 66 GLU C C 177.697 0.3 1 649 66 66 GLU CA C 58.750 0.3 1 650 66 66 GLU CB C 29.852 0.3 1 651 66 66 GLU CG C 36.440 0.3 1 652 66 66 GLU N N 115.015 0.3 1 653 67 67 LYS H H 7.993 0.020 1 654 67 67 LYS HA H 4.416 0.020 1 655 67 67 LYS HB2 H 2.066 0.020 2 656 67 67 LYS HB3 H 1.925 0.020 2 657 67 67 LYS HG2 H 1.647 0.020 2 658 67 67 LYS HG3 H 1.505 0.020 2 659 67 67 LYS HD2 H 1.651 0.020 2 660 67 67 LYS HD3 H 2.176 0.020 2 661 67 67 LYS HE2 H 3.012 0.020 1 662 67 67 LYS HE3 H 3.012 0.020 1 663 67 67 LYS C C 176.203 0.3 1 664 67 67 LYS CA C 55.493 0.3 1 665 67 67 LYS CB C 32.906 0.3 1 666 67 67 LYS CG C 24.507 0.3 1 667 67 67 LYS CD C 29.631 0.3 1 668 67 67 LYS CE C 42.030 0.3 1 669 67 67 LYS N N 116.678 0.3 1 670 68 68 LEU H H 7.222 0.020 1 671 68 68 LEU HA H 4.721 0.020 1 672 68 68 LEU HB2 H 1.954 0.020 2 673 68 68 LEU HB3 H 1.854 0.020 2 674 68 68 LEU HG H 2.241 0.020 1 675 68 68 LEU HD1 H 0.697 0.020 2 676 68 68 LEU HD2 H 0.761 0.020 2 677 68 68 LEU C C 177.108 0.3 1 678 68 68 LEU CA C 53.767 0.3 1 679 68 68 LEU CB C 43.417 0.3 1 680 68 68 LEU CG C 25.174 0.3 1 681 68 68 LEU CD1 C 21.877 0.3 1 682 68 68 LEU CD2 C 26.864 0.3 1 683 68 68 LEU N N 118.367 0.3 1 684 69 69 SER H H 8.885 0.020 1 685 69 69 SER HA H 4.630 0.020 1 686 69 69 SER HB2 H 4.476 0.020 2 687 69 69 SER HB3 H 4.016 0.020 2 688 69 69 SER C C 175.032 0.3 1 689 69 69 SER CA C 56.970 0.3 1 690 69 69 SER CB C 65.449 0.3 1 691 69 69 SER N N 117.285 0.3 1 692 70 70 GLU H H 9.047 0.020 1 693 70 70 GLU HA H 4.017 0.020 1 694 70 70 GLU HB2 H 2.156 0.020 2 695 70 70 GLU HB3 H 2.102 0.020 2 696 70 70 GLU HG2 H 2.437 0.020 1 697 70 70 GLU HG3 H 2.437 0.020 1 698 70 70 GLU C C 179.343 0.3 1 699 70 70 GLU CA C 60.507 0.3 1 700 70 70 GLU CB C 28.962 0.3 1 701 70 70 GLU CG C 36.214 0.3 1 702 70 70 GLU N N 120.895 0.3 1 703 71 71 ASP H H 8.623 0.020 1 704 71 71 ASP HA H 4.603 0.020 1 705 71 71 ASP HB2 H 2.556 0.020 1 706 71 71 ASP HB3 H 2.556 0.020 1 707 71 71 ASP C C 179.552 0.3 1 708 71 71 ASP CA C 57.552 0.3 1 709 71 71 ASP CB C 40.836 0.3 1 710 71 71 ASP N N 117.795 0.3 1 711 72 72 GLN H H 7.981 0.020 1 712 72 72 GLN HA H 4.595 0.020 1 713 72 72 GLN HB2 H 2.630 0.020 2 714 72 72 GLN HB3 H 1.934 0.020 2 715 72 72 GLN HG2 H 2.559 0.020 2 716 72 72 GLN HG3 H 2.614 0.020 2 717 72 72 GLN HE21 H 8.521 0.020 1 718 72 72 GLN HE22 H 6.479 0.020 1 719 72 72 GLN C C 178.905 0.3 1 720 72 72 GLN CA C 58.621 0.3 1 721 72 72 GLN CB C 28.524 0.3 1 722 72 72 GLN CG C 34.203 0.3 1 723 72 72 GLN N N 121.864 0.3 1 724 72 72 GLN NE2 N 112.150 0.3 1 725 73 73 LYS H H 8.820 0.020 1 726 73 73 LYS HA H 3.831 0.020 1 727 73 73 LYS HB2 H 1.964 0.020 2 728 73 73 LYS HB3 H 2.154 0.020 2 729 73 73 LYS HG2 H 1.683 0.020 2 730 73 73 LYS HG3 H 1.207 0.020 2 731 73 73 LYS HD2 H 1.228 0.020 2 732 73 73 LYS HD3 H 1.872 0.020 2 733 73 73 LYS HE2 H 2.961 0.020 1 734 73 73 LYS HE3 H 2.961 0.020 1 735 73 73 LYS C C 178.594 0.3 1 736 73 73 LYS CA C 61.425 0.3 1 737 73 73 LYS CB C 32.497 0.3 1 738 73 73 LYS CG C 24.545 0.3 1 739 73 73 LYS CD C 28.195 0.3 1 740 73 73 LYS CE C 42.204 0.3 1 741 73 73 LYS N N 121.392 0.3 1 742 74 74 THR H H 7.989 0.020 1 743 74 74 THR HA H 4.039 0.020 1 744 74 74 THR HB H 4.341 0.020 1 745 74 74 THR HG2 H 0.972 0.020 1 746 74 74 THR C C 177.425 0.3 1 747 74 74 THR CA C 66.086 0.3 1 748 74 74 THR CB C 68.768 0.3 1 749 74 74 THR CG2 C 21.443 0.3 1 750 74 74 THR N N 115.486 0.3 1 751 75 75 HIS H H 7.924 0.020 1 752 75 75 HIS HA H 4.381 0.020 1 753 75 75 HIS HB2 H 3.175 0.020 2 754 75 75 HIS HB3 H 3.131 0.020 2 755 75 75 HIS HD2 H 6.301 0.020 1 756 75 75 HIS HE1 H 7.824 0.020 1 757 75 75 HIS C C 175.732 0.3 1 758 75 75 HIS CA C 62.948 0.3 1 759 75 75 HIS CB C 27.871 0.3 1 760 75 75 HIS CD2 C 125.381 0.3 1 761 75 75 HIS CE1 C 138.406 0.3 1 762 75 75 HIS N N 120.337 0.3 1 763 76 76 LEU H H 9.012 0.020 1 764 76 76 LEU HA H 4.298 0.020 1 765 76 76 LEU HB2 H 2.292 0.020 2 766 76 76 LEU HB3 H 1.573 0.020 2 767 76 76 LEU HG H 2.051 0.020 1 768 76 76 LEU HD1 H 1.231 0.020 2 769 76 76 LEU HD2 H 1.048 0.020 2 770 76 76 LEU C C 178.527 0.3 1 771 76 76 LEU CA C 57.881 0.3 1 772 76 76 LEU CB C 40.951 0.3 1 773 76 76 LEU CG C 26.970 0.3 1 774 76 76 LEU CD1 C 24.598 0.3 1 775 76 76 LEU CD2 C 26.605 0.3 1 776 76 76 LEU N N 127.421 0.3 1 777 77 77 ASP H H 7.867 0.020 1 778 77 77 ASP HA H 4.271 0.020 1 779 77 77 ASP HB2 H 3.019 0.020 2 780 77 77 ASP HB3 H 2.630 0.020 2 781 77 77 ASP C C 179.086 0.3 1 782 77 77 ASP CA C 57.776 0.3 1 783 77 77 ASP CB C 39.557 0.3 1 784 77 77 ASP N N 119.346 0.3 1 785 78 78 TRP H H 7.587 0.020 1 786 78 78 TRP HA H 4.004 0.020 1 787 78 78 TRP HB2 H 3.671 0.020 2 788 78 78 TRP HB3 H 3.223 0.020 2 789 78 78 TRP HD1 H 7.295 0.020 1 790 78 78 TRP HE1 H 10.313 0.020 1 791 78 78 TRP HE3 H 7.323 0.020 1 792 78 78 TRP HZ2 H 7.595 0.020 1 793 78 78 TRP HZ3 H 6.688 0.020 1 794 78 78 TRP HH2 H 6.664 0.020 1 795 78 78 TRP C C 178.165 0.3 1 796 78 78 TRP CA C 61.971 0.3 1 797 78 78 TRP CB C 28.985 0.3 1 798 78 78 TRP CD1 C 127.821 0.3 1 799 78 78 TRP CE3 C 120.023 0.3 1 800 78 78 TRP CZ2 C 115.169 0.3 1 801 78 78 TRP CZ3 C 120.036 0.3 1 802 78 78 TRP CH2 C 124.045 0.3 1 803 78 78 TRP N N 121.641 0.3 1 804 78 78 TRP NE1 N 129.508 0.3 1 805 79 79 LEU H H 8.759 0.020 1 806 79 79 LEU HA H 3.833 0.020 1 807 79 79 LEU HB2 H 2.081 0.020 2 808 79 79 LEU HB3 H 1.662 0.020 2 809 79 79 LEU HG H 1.301 0.020 1 810 79 79 LEU HD1 H 0.568 0.020 2 811 79 79 LEU HD2 H -0.025 0.020 2 812 79 79 LEU C C 177.422 0.3 1 813 79 79 LEU CA C 57.519 0.3 1 814 79 79 LEU CB C 42.387 0.3 1 815 79 79 LEU CG C 26.618 0.3 1 816 79 79 LEU CD1 C 24.495 0.3 1 817 79 79 LEU CD2 C 25.277 0.3 1 818 79 79 LEU N N 121.468 0.3 1 819 80 80 LYS H H 8.382 0.020 1 820 80 80 LYS HA H 3.163 0.020 1 821 80 80 LYS HB2 H 1.563 0.020 2 822 80 80 LYS HB3 H 1.138 0.020 2 823 80 80 LYS HG2 H 0.620 0.020 2 824 80 80 LYS HG3 H -0.045 0.020 2 825 80 80 LYS HD2 H 1.326 0.020 2 826 80 80 LYS HD3 H 1.166 0.020 2 827 80 80 LYS HE2 H 2.525 0.020 1 828 80 80 LYS HE3 H 2.525 0.020 1 829 80 80 LYS C C 179.415 0.3 1 830 80 80 LYS CA C 59.954 0.3 1 831 80 80 LYS CB C 32.358 0.3 1 832 80 80 LYS CG C 24.423 0.3 1 833 80 80 LYS CD C 29.676 0.3 1 834 80 80 LYS CE C 41.808 0.3 1 835 80 80 LYS N N 120.206 0.3 1 836 81 81 GLU H H 7.097 0.020 1 837 81 81 GLU HA H 3.805 0.020 1 838 81 81 GLU HB2 H 1.857 0.020 2 839 81 81 GLU HB3 H 1.812 0.020 2 840 81 81 GLU HG2 H 2.244 0.020 2 841 81 81 GLU HG3 H 1.990 0.020 2 842 81 81 GLU C C 178.150 0.3 1 843 81 81 GLU CA C 58.465 0.3 1 844 81 81 GLU CB C 29.101 0.3 1 845 81 81 GLU CG C 36.079 0.3 1 846 81 81 GLU N N 117.514 0.3 1 847 82 82 ALA H H 7.874 0.020 1 848 82 82 ALA HA H 3.502 0.020 1 849 82 82 ALA HB H 0.739 0.020 1 850 82 82 ALA C C 178.715 0.3 1 851 82 82 ALA CA C 54.634 0.3 1 852 82 82 ALA CB C 17.805 0.3 1 853 82 82 ALA N N 121.283 0.3 1 854 83 83 LEU H H 8.209 0.020 1 855 83 83 LEU HA H 4.029 0.020 1 856 83 83 LEU HB2 H 1.832 0.020 2 857 83 83 LEU HB3 H 1.405 0.020 2 858 83 83 LEU HG H 1.796 0.020 1 859 83 83 LEU HD1 H 0.745 0.020 2 860 83 83 LEU HD2 H 0.705 0.020 2 861 83 83 LEU C C 178.573 0.3 1 862 83 83 LEU CA C 56.034 0.3 1 863 83 83 LEU CB C 41.343 0.3 1 864 83 83 LEU CG C 26.398 0.3 1 865 83 83 LEU CD1 C 22.002 0.3 1 866 83 83 LEU CD2 C 25.296 0.3 1 867 83 83 LEU N N 113.665 0.3 1 868 84 84 GLY H H 7.279 0.020 1 869 84 84 GLY HA2 H 3.777 0.020 1 870 84 84 GLY HA3 H 3.777 0.020 1 871 84 84 GLY C C 174.376 0.3 1 872 84 84 GLY CA C 46.732 0.3 1 873 84 84 GLY N N 105.327 0.3 1 874 85 85 ASN H H 8.292 0.020 1 875 85 85 ASN HA H 4.758 0.020 1 876 85 85 ASN HB2 H 2.754 0.020 2 877 85 85 ASN HB3 H 2.635 0.020 2 878 85 85 ASN HD21 H 7.815 0.020 1 879 85 85 ASN HD22 H 6.984 0.020 1 880 85 85 ASN C C 174.572 0.3 1 881 85 85 ASN CA C 53.500 0.3 1 882 85 85 ASN CB C 39.809 0.3 1 883 85 85 ASN N N 117.094 0.3 1 884 85 85 ASN ND2 N 113.941 0.3 1 885 86 86 ASP H H 8.798 0.020 1 886 86 86 ASP HA H 4.549 0.020 1 887 86 86 ASP HB2 H 2.793 0.020 2 888 86 86 ASP HB3 H 2.685 0.020 2 889 86 86 ASP C C 177.622 0.3 1 890 86 86 ASP CA C 56.669 0.3 1 891 86 86 ASP CB C 40.652 0.3 1 892 86 86 ASP N N 124.769 0.3 1 893 87 87 GLY H H 8.454 0.020 1 894 87 87 GLY HA2 H 4.149 0.020 2 895 87 87 GLY HA3 H 3.935 0.020 2 896 87 87 GLY C C 177.011 0.3 1 897 87 87 GLY CA C 46.834 0.3 1 898 87 87 GLY N N 109.404 0.3 1 899 88 88 GLU H H 8.289 0.020 1 900 88 88 GLU HA H 4.126 0.020 1 901 88 88 GLU HB2 H 2.199 0.020 2 902 88 88 GLU HB3 H 2.038 0.020 2 903 88 88 GLU HG2 H 2.460 0.020 2 904 88 88 GLU HG3 H 2.273 0.020 2 905 88 88 GLU C C 179.343 0.3 1 906 88 88 GLU CA C 58.739 0.3 1 907 88 88 GLU CB C 29.729 0.3 1 908 88 88 GLU CG C 36.371 0.3 1 909 88 88 GLU N N 122.139 0.3 1 910 89 89 PHE H H 8.615 0.020 1 911 89 89 PHE HA H 4.229 0.020 1 912 89 89 PHE HB2 H 3.345 0.020 2 913 89 89 PHE HB3 H 3.119 0.020 2 914 89 89 PHE HD1 H 7.155 0.020 1 915 89 89 PHE HD2 H 7.155 0.020 1 916 89 89 PHE HE1 H 7.216 0.020 1 917 89 89 PHE HE2 H 7.216 0.020 1 918 89 89 PHE HZ H 7.011 0.020 1 919 89 89 PHE C C 176.248 0.3 1 920 89 89 PHE CA C 61.733 0.3 1 921 89 89 PHE CB C 38.810 0.3 1 922 89 89 PHE CD1 C 131.428 0.3 1 923 89 89 PHE CD2 C 131.428 0.3 1 924 89 89 PHE CE1 C 131.388 0.3 1 925 89 89 PHE CE2 C 131.378 0.3 1 926 89 89 PHE CZ C 128.953 0.3 1 927 89 89 PHE N N 122.403 0.3 1 928 90 90 ASP H H 8.232 0.020 1 929 90 90 ASP HA H 4.144 0.020 1 930 90 90 ASP HB2 H 2.735 0.020 2 931 90 90 ASP HB3 H 2.569 0.020 2 932 90 90 ASP C C 178.905 0.3 1 933 90 90 ASP CA C 57.803 0.3 1 934 90 90 ASP CB C 41.031 0.3 1 935 90 90 ASP N N 118.106 0.3 1 936 91 91 LYS H H 7.471 0.020 1 937 91 91 LYS HA H 3.696 0.020 1 938 91 91 LYS HB2 H 1.823 0.020 1 939 91 91 LYS HB3 H 1.823 0.020 1 940 91 91 LYS HG2 H 1.415 0.020 2 941 91 91 LYS HG3 H 1.230 0.020 2 942 91 91 LYS HD2 H 1.747 0.020 1 943 91 91 LYS HD3 H 1.747 0.020 1 944 91 91 LYS HE2 H 2.952 0.020 1 945 91 91 LYS HE3 H 2.952 0.020 1 946 91 91 LYS C C 178.654 0.3 1 947 91 91 LYS CA C 59.300 0.3 1 948 91 91 LYS CB C 32.270 0.3 1 949 91 91 LYS CG C 24.644 0.3 1 950 91 91 LYS CD C 29.746 0.3 1 951 91 91 LYS CE C 42.058 0.3 1 952 91 91 LYS N N 118.623 0.3 1 953 92 92 PHE H H 7.469 0.020 1 954 92 92 PHE HA H 3.957 0.020 1 955 92 92 PHE HB2 H 3.128 0.020 2 956 92 92 PHE HB3 H 2.973 0.020 2 957 92 92 PHE HD1 H 6.854 0.020 1 958 92 92 PHE HD2 H 6.854 0.020 1 959 92 92 PHE HE1 H 6.963 0.020 1 960 92 92 PHE HE2 H 6.963 0.020 1 961 92 92 PHE HZ H 7.220 0.020 1 962 92 92 PHE C C 175.267 0.3 1 963 92 92 PHE CA C 60.071 0.3 1 964 92 92 PHE CB C 38.494 0.3 1 965 92 92 PHE CD1 C 131.309 0.3 1 966 92 92 PHE CD2 C 131.309 0.3 1 967 92 92 PHE CE1 C 129.157 0.3 1 968 92 92 PHE CE2 C 129.157 0.3 1 969 92 92 PHE CZ C 131.923 0.3 1 970 92 92 PHE N N 121.589 0.3 1 971 93 93 LEU H H 7.379 0.020 1 972 93 93 LEU HA H 3.642 0.020 1 973 93 93 LEU HB2 H 1.736 0.020 2 974 93 93 LEU HB3 H 1.112 0.020 2 975 93 93 LEU HG H 1.297 0.020 1 976 93 93 LEU HD1 H 0.685 0.020 2 977 93 93 LEU HD2 H 0.590 0.020 2 978 93 93 LEU C C 177.148 0.3 1 979 93 93 LEU CA C 55.638 0.3 1 980 93 93 LEU CB C 42.098 0.3 1 981 93 93 LEU CG C 25.145 0.3 1 982 93 93 LEU CD1 C 26.792 0.3 1 983 93 93 LEU CD2 C 23.510 0.3 1 984 93 93 LEU N N 112.365 0.3 1 985 94 94 GLY H H 7.243 0.020 1 986 94 94 GLY HA2 H 4.047 0.020 2 987 94 94 GLY HA3 H 3.478 0.020 2 988 94 94 GLY C C 175.176 0.3 1 989 94 94 GLY CA C 44.598 0.3 1 990 94 94 GLY N N 103.834 0.3 1 991 95 95 TYR H H 7.018 0.020 1 992 95 95 TYR HA H 4.700 0.020 1 993 95 95 TYR HB2 H 2.960 0.020 2 994 95 95 TYR HB3 H 2.555 0.020 2 995 95 95 TYR HD1 H 6.941 0.020 1 996 95 95 TYR HD2 H 6.941 0.020 1 997 95 95 TYR HE1 H 6.782 0.020 1 998 95 95 TYR HE2 H 6.782 0.020 1 999 95 95 TYR C C 173.561 0.3 1 1000 95 95 TYR CA C 55.968 0.3 1 1001 95 95 TYR CB C 38.437 0.3 1 1002 95 95 TYR CD1 C 133.174 0.3 1 1003 95 95 TYR CD2 C 133.174 0.3 1 1004 95 95 TYR CE1 C 117.201 0.3 1 1005 95 95 TYR CE2 C 117.201 0.3 1 1006 95 95 TYR N N 120.306 0.3 1 1007 96 96 ASP H H 8.194 0.020 1 1008 96 96 ASP HA H 4.364 0.020 1 1009 96 96 ASP HB2 H 2.666 0.020 2 1010 96 96 ASP HB3 H 2.553 0.020 2 1011 96 96 ASP C C 177.123 0.3 1 1012 96 96 ASP CA C 55.046 0.3 1 1013 96 96 ASP CB C 42.734 0.3 1 1014 96 96 ASP N N 117.478 0.3 1 1015 97 97 GLU H H 8.901 0.020 1 1016 97 97 GLU HA H 3.737 0.020 1 1017 97 97 GLU HB2 H 2.142 0.020 2 1018 97 97 GLU HB3 H 1.986 0.020 2 1019 97 97 GLU HG2 H 2.145 0.020 2 1020 97 97 GLU HG3 H 2.169 0.020 2 1021 97 97 GLU C C 177.561 0.3 1 1022 97 97 GLU CA C 60.318 0.3 1 1023 97 97 GLU CB C 30.273 0.3 1 1024 97 97 GLU CG C 36.222 0.3 1 1025 97 97 GLU N N 125.362 0.3 1 1026 98 98 SER H H 8.551 0.020 1 1027 98 98 SER HA H 4.203 0.020 1 1028 98 98 SER HB2 H 4.199 0.020 2 1029 98 98 SER HB3 H 3.976 0.020 2 1030 98 98 SER C C 177.239 0.3 1 1031 98 98 SER CA C 61.801 0.3 1 1032 98 98 SER CB C 62.205 0.3 1 1033 98 98 SER N N 114.009 0.3 1 1034 99 99 LYS H H 7.426 0.020 1 1035 99 99 LYS HA H 4.172 0.020 1 1036 99 99 LYS HB2 H 1.705 0.020 1 1037 99 99 LYS HB3 H 1.705 0.020 1 1038 99 99 LYS HG2 H 1.424 0.020 1 1039 99 99 LYS HG3 H 1.424 0.020 1 1040 99 99 LYS HD2 H 1.558 0.020 2 1041 99 99 LYS HD3 H 1.451 0.020 2 1042 99 99 LYS HE2 H 2.957 0.020 1 1043 99 99 LYS HE3 H 2.957 0.020 1 1044 99 99 LYS C C 179.494 0.3 1 1045 99 99 LYS CA C 59.119 0.3 1 1046 99 99 LYS CB C 32.687 0.3 1 1047 99 99 LYS CG C 24.603 0.3 1 1048 99 99 LYS CD C 26.296 0.3 1 1049 99 99 LYS CE C 42.299 0.3 1 1050 99 99 LYS N N 122.602 0.3 1 1051 100 100 ILE H H 8.194 0.020 1 1052 100 100 ILE HA H 3.422 0.020 1 1053 100 100 ILE HB H 1.848 0.020 1 1054 100 100 ILE HG12 H 1.280 0.020 2 1055 100 100 ILE HG13 H 0.125 0.020 2 1056 100 100 ILE HG2 H 0.937 0.020 1 1057 100 100 ILE HD1 H 0.595 0.020 1 1058 100 100 ILE C C 177.848 0.3 1 1059 100 100 ILE CA C 66.391 0.3 1 1060 100 100 ILE CB C 38.308 0.3 1 1061 100 100 ILE CG1 C 28.207 0.3 1 1062 100 100 ILE CG2 C 16.643 0.3 1 1063 100 100 ILE CD1 C 14.916 0.3 1 1064 100 100 ILE N N 121.730 0.3 1 1065 101 101 LYS H H 8.228 0.020 1 1066 101 101 LYS HA H 3.678 0.020 1 1067 101 101 LYS HB2 H 2.076 0.020 2 1068 101 101 LYS HB3 H 1.880 0.020 2 1069 101 101 LYS HG2 H 1.252 0.020 2 1070 101 101 LYS HG3 H 1.667 0.020 2 1071 101 101 LYS HD2 H 1.762 0.020 2 1072 101 101 LYS HD3 H 1.853 0.020 2 1073 101 101 LYS HE2 H 2.850 0.020 2 1074 101 101 LYS HE3 H 3.068 0.020 2 1075 101 101 LYS C C 177.803 0.3 1 1076 101 101 LYS CA C 61.926 0.3 1 1077 101 101 LYS CB C 32.468 0.3 1 1078 101 101 LYS CG C 27.543 0.3 1 1079 101 101 LYS CD C 29.919 0.3 1 1080 101 101 LYS CE C 42.520 0.3 1 1081 101 101 LYS N N 118.715 0.3 1 1082 102 102 THR H H 7.844 0.020 1 1083 102 102 THR HA H 4.050 0.020 1 1084 102 102 THR HB H 4.316 0.020 1 1085 102 102 THR HG2 H 1.416 0.020 1 1086 102 102 THR C C 177.123 0.3 1 1087 102 102 THR CA C 66.730 0.3 1 1088 102 102 THR CB C 68.846 0.3 1 1089 102 102 THR CG2 C 22.245 0.3 1 1090 102 102 THR N N 113.514 0.3 1 1091 103 103 ALA H H 8.262 0.020 1 1092 103 103 ALA HA H 4.648 0.020 1 1093 103 103 ALA HB H 1.712 0.020 1 1094 103 103 ALA C C 180.022 0.3 1 1095 103 103 ALA CA C 55.746 0.3 1 1096 103 103 ALA CB C 18.333 0.3 1 1097 103 103 ALA N N 125.435 0.3 1 1098 104 104 LEU H H 8.802 0.020 1 1099 104 104 LEU HA H 4.183 0.020 1 1100 104 104 LEU HB2 H 2.176 0.020 2 1101 104 104 LEU HB3 H 1.580 0.020 2 1102 104 104 LEU HG H 2.350 0.020 1 1103 104 104 LEU HD1 H 1.067 0.020 2 1104 104 104 LEU HD2 H 0.925 0.020 2 1105 104 104 LEU C C 180.176 0.3 1 1106 104 104 LEU CA C 58.272 0.3 1 1107 104 104 LEU CB C 41.669 0.3 1 1108 104 104 LEU CG C 26.518 0.3 1 1109 104 104 LEU CD1 C 28.053 0.3 1 1110 104 104 LEU CD2 C 21.499 0.3 1 1111 104 104 LEU N N 118.254 0.3 1 1112 105 105 ASP H H 8.776 0.020 1 1113 105 105 ASP HA H 4.307 0.020 1 1114 105 105 ASP HB2 H 2.981 0.020 2 1115 105 105 ASP HB3 H 2.702 0.020 2 1116 105 105 ASP C C 178.844 0.3 1 1117 105 105 ASP CA C 57.547 0.3 1 1118 105 105 ASP CB C 39.549 0.3 1 1119 105 105 ASP N N 123.094 0.3 1 1120 106 106 HIS H H 8.382 0.020 1 1121 106 106 HIS HA H 4.392 0.020 1 1122 106 106 HIS HB2 H 3.578 0.020 2 1123 106 106 HIS HB3 H 3.338 0.020 2 1124 106 106 HIS HD2 H 6.416 0.020 1 1125 106 106 HIS HE1 H 7.528 0.020 1 1126 106 106 HIS HE2 H 7.127 0.020 1 1127 106 106 HIS C C 176.756 0.3 1 1128 106 106 HIS CA C 60.355 0.3 1 1129 106 106 HIS CB C 30.753 0.3 1 1130 106 106 HIS CD2 C 115.619 0.3 1 1131 106 106 HIS CE1 C 138.803 0.3 1 1132 106 106 HIS N N 122.834 0.3 1 1133 107 107 ILE H H 8.346 0.020 1 1134 107 107 ILE HA H 3.362 0.020 1 1135 107 107 ILE HB H 2.027 0.020 1 1136 107 107 ILE HG12 H 2.433 0.020 2 1137 107 107 ILE HG13 H 1.240 0.020 2 1138 107 107 ILE HG2 H 0.721 0.020 1 1139 107 107 ILE HD1 H 1.127 0.020 1 1140 107 107 ILE C C 176.776 0.3 1 1141 107 107 ILE CA C 66.442 0.3 1 1142 107 107 ILE CB C 38.655 0.3 1 1143 107 107 ILE CG1 C 30.683 0.3 1 1144 107 107 ILE CG2 C 18.032 0.3 1 1145 107 107 ILE CD1 C 14.844 0.3 1 1146 107 107 ILE N N 118.755 0.3 1 1147 108 108 LYS H H 7.445 0.020 1 1148 108 108 LYS HA H 3.219 0.020 1 1149 108 108 LYS HB2 H 1.428 0.020 2 1150 108 108 LYS HB3 H 0.338 0.020 2 1151 108 108 LYS HG2 H 1.061 0.020 2 1152 108 108 LYS HG3 H 1.012 0.020 2 1153 108 108 LYS HD2 H 1.371 0.020 2 1154 108 108 LYS HD3 H 1.550 0.020 2 1155 108 108 LYS HE2 H 2.909 0.020 2 1156 108 108 LYS HE3 H 3.033 0.020 2 1157 108 108 LYS C C 176.783 0.3 1 1158 108 108 LYS CA C 59.764 0.3 1 1159 108 108 LYS CB C 31.482 0.3 1 1160 108 108 LYS CG C 25.338 0.3 1 1161 108 108 LYS CD C 29.175 0.3 1 1162 108 108 LYS CE C 42.451 0.3 1 1163 108 108 LYS N N 118.104 0.3 1 1164 109 109 SER H H 7.762 0.020 1 1165 109 109 SER HA H 3.960 0.020 1 1166 109 109 SER HB2 H 3.928 0.020 2 1167 109 109 SER HB3 H 3.899 0.020 2 1168 109 109 SER C C 177.199 0.3 1 1169 109 109 SER CA C 61.389 0.3 1 1170 109 109 SER CB C 62.701 0.3 1 1171 109 109 SER N N 112.490 0.3 1 1172 110 110 GLU H H 7.730 0.020 1 1173 110 110 GLU HA H 3.622 0.020 1 1174 110 110 GLU HB2 H 1.438 0.020 1 1175 110 110 GLU HB3 H 1.438 0.020 1 1176 110 110 GLU HG2 H 2.099 0.020 2 1177 110 110 GLU HG3 H 1.566 0.020 2 1178 110 110 GLU C C 179.312 0.3 1 1179 110 110 GLU CA C 58.431 0.3 1 1180 110 110 GLU CB C 30.715 0.3 1 1181 110 110 GLU CG C 36.856 0.3 1 1182 110 110 GLU N N 118.439 0.3 1 1183 111 111 LEU H H 8.047 0.020 1 1184 111 111 LEU HA H 3.617 0.020 1 1185 111 111 LEU HB2 H 1.819 0.020 2 1186 111 111 LEU HB3 H 1.225 0.020 2 1187 111 111 LEU HG H 1.427 0.020 1 1188 111 111 LEU HD1 H -0.027 0.020 2 1189 111 111 LEU HD2 H 0.731 0.020 2 1190 111 111 LEU C C 180.535 0.3 1 1191 111 111 LEU CA C 58.325 0.3 1 1192 111 111 LEU CB C 42.109 0.3 1 1193 111 111 LEU CG C 26.361 0.3 1 1194 111 111 LEU CD1 C 24.423 0.3 1 1195 111 111 LEU CD2 C 23.309 0.3 1 1196 111 111 LEU N N 121.088 0.3 1 1197 112 112 ASP H H 8.612 0.020 1 1198 112 112 ASP HA H 4.255 0.020 1 1199 112 112 ASP HB2 H 2.651 0.020 2 1200 112 112 ASP HB3 H 2.506 0.020 2 1201 112 112 ASP C C 177.665 0.3 1 1202 112 112 ASP CA C 56.084 0.3 1 1203 112 112 ASP CB C 40.061 0.3 1 1204 112 112 ASP N N 119.101 0.3 1 1205 113 113 LYS H H 6.952 0.020 1 1206 113 113 LYS HA H 3.965 0.020 1 1207 113 113 LYS HB2 H 1.699 0.020 2 1208 113 113 LYS HB3 H 1.623 0.020 2 1209 113 113 LYS HG2 H 1.675 0.020 2 1210 113 113 LYS HG3 H 1.266 0.020 2 1211 113 113 LYS HD2 H 1.511 0.020 1 1212 113 113 LYS HD3 H 1.511 0.020 1 1213 113 113 LYS HE2 H 2.717 0.020 1 1214 113 113 LYS HE3 H 2.717 0.020 1 1215 113 113 LYS C C 177.048 0.3 1 1216 113 113 LYS CA C 58.015 0.3 1 1217 113 113 LYS CB C 33.872 0.3 1 1218 113 113 LYS CG C 25.347 0.3 1 1219 113 113 LYS CD C 29.990 0.3 1 1220 113 113 LYS CE C 42.113 0.3 1 1221 113 113 LYS N N 116.892 0.3 1 1222 114 114 CYS H H 7.523 0.020 1 1223 114 114 CYS HA H 4.661 0.020 1 1224 114 114 CYS HB2 H 3.067 0.020 1 1225 114 114 CYS HB3 H 3.067 0.020 1 1226 114 114 CYS C C 173.047 0.3 1 1227 114 114 CYS CA C 54.296 0.3 1 1228 114 114 CYS CB C 41.431 0.3 1 1229 114 114 CYS N N 116.589 0.3 1 1230 115 115 ASN H H 8.147 0.020 1 1231 115 115 ASN HA H 4.840 0.020 1 1232 115 115 ASN HB2 H 2.878 0.020 2 1233 115 115 ASN HB3 H 2.734 0.020 2 1234 115 115 ASN HD21 H 6.777 0.020 1 1235 115 115 ASN HD22 H 7.430 0.020 1 1236 115 115 ASN C C 175.367 0.3 1 1237 115 115 ASN CA C 52.557 0.3 1 1238 115 115 ASN CB C 39.809 0.3 1 1239 115 115 ASN N N 121.678 0.3 1 1240 115 115 ASN ND2 N 112.570 0.3 1 1241 116 116 GLY H H 8.760 0.020 1 1242 116 116 GLY HA2 H 4.329 0.020 2 1243 116 116 GLY HA3 H 4.053 0.020 2 1244 116 116 GLY C C 175.337 0.3 1 1245 116 116 GLY CA C 44.514 0.3 1 1246 116 116 GLY N N 109.797 0.3 1 1247 117 117 ASN HA H 4.533 0.020 1 1248 117 117 ASN HB2 H 2.845 0.020 1 1249 117 117 ASN HB3 H 2.845 0.020 1 1250 117 117 ASN HD21 H 6.972 0.020 1 1251 117 117 ASN HD22 H 7.669 0.020 1 1252 117 117 ASN CA C 55.429 0.3 1 1253 117 117 ASN CB C 38.430 0.3 1 1254 117 117 ASN ND2 N 112.848 0.3 1 1255 118 118 ASP H H 8.655 0.020 1 1256 118 118 ASP HA H 4.850 0.020 1 1257 118 118 ASP HB2 H 2.724 0.020 2 1258 118 118 ASP HB3 H 2.897 0.020 2 1259 118 118 ASP C C 176.569 0.3 1 1260 118 118 ASP CA C 53.308 0.3 1 1261 118 118 ASP CB C 40.113 0.3 1 1262 118 118 ASP N N 118.600 0.3 1 1263 119 119 ALA H H 7.556 0.020 1 1264 119 119 ALA HA H 4.027 0.020 1 1265 119 119 ALA HB H 1.400 0.020 1 1266 119 119 ALA C C 178.920 0.3 1 1267 119 119 ALA CA C 55.731 0.3 1 1268 119 119 ALA CB C 19.265 0.3 1 1269 119 119 ALA N N 122.469 0.3 1 1270 120 120 ASP H H 8.561 0.020 1 1271 120 120 ASP HA H 4.406 0.020 1 1272 120 120 ASP HB2 H 2.688 0.020 1 1273 120 120 ASP HB3 H 2.688 0.020 1 1274 120 120 ASP C C 178.965 0.3 1 1275 120 120 ASP CA C 57.977 0.3 1 1276 120 120 ASP CB C 40.348 0.3 1 1277 120 120 ASP N N 116.792 0.3 1 1278 121 121 GLN H H 8.274 0.020 1 1279 121 121 GLN HA H 4.169 0.020 1 1280 121 121 GLN HB2 H 2.227 0.020 2 1281 121 121 GLN HB3 H 2.176 0.020 2 1282 121 121 GLN HG2 H 2.450 0.020 1 1283 121 121 GLN HG3 H 2.450 0.020 1 1284 121 121 GLN HE21 H 7.547 0.020 1 1285 121 121 GLN HE22 H 6.870 0.020 1 1286 121 121 GLN C C 178.950 0.3 1 1287 121 121 GLN CA C 59.082 0.3 1 1288 121 121 GLN CB C 28.272 0.3 1 1289 121 121 GLN CG C 33.905 0.3 1 1290 121 121 GLN N N 120.593 0.3 1 1291 121 121 GLN NE2 N 112.456 0.3 1 1292 122 122 GLN H H 8.332 0.020 1 1293 122 122 GLN HA H 4.251 0.020 1 1294 122 122 GLN HB2 H 2.183 0.020 2 1295 122 122 GLN HB3 H 2.066 0.020 2 1296 122 122 GLN HG2 H 2.505 0.020 1 1297 122 122 GLN HG3 H 2.505 0.020 1 1298 122 122 GLN HE21 H 7.396 0.020 1 1299 122 122 GLN HE22 H 6.818 0.020 1 1300 122 122 GLN C C 180.173 0.3 1 1301 122 122 GLN CA C 58.915 0.3 1 1302 122 122 GLN CB C 28.788 0.3 1 1303 122 122 GLN CG C 33.645 0.3 1 1304 122 122 GLN N N 119.270 0.3 1 1305 122 122 GLN NE2 N 111.758 0.3 1 1306 123 123 LYS H H 8.752 0.020 1 1307 123 123 LYS HA H 4.031 0.020 1 1308 123 123 LYS HB2 H 2.125 0.020 1 1309 123 123 LYS HB3 H 2.125 0.020 1 1310 123 123 LYS HG2 H 1.284 0.020 1 1311 123 123 LYS HG3 H 1.284 0.020 1 1312 123 123 LYS HD2 H 1.280 0.020 2 1313 123 123 LYS HD3 H 1.920 0.020 2 1314 123 123 LYS HE2 H 2.977 0.020 1 1315 123 123 LYS HE3 H 2.977 0.020 1 1316 123 123 LYS C C 178.730 0.3 1 1317 123 123 LYS CA C 60.902 0.3 1 1318 123 123 LYS CB C 32.468 0.3 1 1319 123 123 LYS CG C 24.665 0.3 1 1320 123 123 LYS CD C 26.875 0.3 1 1321 123 123 LYS CE C 42.185 0.3 1 1322 123 123 LYS N N 120.797 0.3 1 1323 124 124 THR H H 8.153 0.020 1 1324 124 124 THR HA H 4.064 0.020 1 1325 124 124 THR HB H 4.454 0.020 1 1326 124 124 THR HG2 H 1.310 0.020 1 1327 124 124 THR C C 178.059 0.3 1 1328 124 124 THR CA C 67.198 0.3 1 1329 124 124 THR CB C 68.543 0.3 1 1330 124 124 THR CG2 C 22.011 0.3 1 1331 124 124 THR N N 116.771 0.3 1 1332 125 125 THR H H 8.628 0.020 1 1333 125 125 THR HA H 4.152 0.020 1 1334 125 125 THR HB H 4.390 0.020 1 1335 125 125 THR HG2 H 1.380 0.020 1 1336 125 125 THR C C 176.067 0.3 1 1337 125 125 THR CA C 66.679 0.3 1 1338 125 125 THR CB C 68.846 0.3 1 1339 125 125 THR CG2 C 22.110 0.3 1 1340 125 125 THR N N 120.805 0.3 1 1341 126 126 PHE H H 8.129 0.020 1 1342 126 126 PHE HA H 4.819 0.020 1 1343 126 126 PHE HB2 H 3.464 0.020 1 1344 126 126 PHE HB3 H 3.464 0.020 1 1345 126 126 PHE HD1 H 7.238 0.020 1 1346 126 126 PHE HD2 H 7.238 0.020 1 1347 126 126 PHE HE1 H 6.853 0.020 1 1348 126 126 PHE HE2 H 6.853 0.020 1 1349 126 126 PHE HZ H 6.668 0.020 1 1350 126 126 PHE C C 176.716 0.3 1 1351 126 126 PHE CA C 59.598 0.3 1 1352 126 126 PHE CB C 39.138 0.3 1 1353 126 126 PHE CD1 C 132.200 0.3 1 1354 126 126 PHE CD2 C 132.200 0.3 1 1355 126 126 PHE CE1 C 130.331 0.3 1 1356 126 126 PHE CE2 C 130.331 0.3 1 1357 126 126 PHE CZ C 128.822 0.3 1 1358 126 126 PHE N N 120.954 0.3 1 1359 127 127 LYS H H 7.847 0.020 1 1360 127 127 LYS HA H 3.798 0.020 1 1361 127 127 LYS HB2 H 2.081 0.020 2 1362 127 127 LYS HB3 H 1.594 0.020 2 1363 127 127 LYS HG2 H 1.792 0.020 2 1364 127 127 LYS HG3 H 0.536 0.020 2 1365 127 127 LYS HD2 H 1.565 0.020 2 1366 127 127 LYS HD3 H 1.354 0.020 2 1367 127 127 LYS HE2 H 2.709 0.020 2 1368 127 127 LYS HE3 H 2.565 0.020 2 1369 127 127 LYS C C 178.030 0.3 1 1370 127 127 LYS CA C 60.904 0.3 1 1371 127 127 LYS CB C 33.016 0.3 1 1372 127 127 LYS CG C 26.576 0.3 1 1373 127 127 LYS CD C 30.236 0.3 1 1374 127 127 LYS CE C 41.900 0.3 1 1375 127 127 LYS N N 117.613 0.3 1 1376 128 128 GLN H H 7.196 0.020 1 1377 128 128 GLN HA H 4.173 0.020 1 1378 128 128 GLN HB2 H 2.365 0.020 2 1379 128 128 GLN HB3 H 2.298 0.020 2 1380 128 128 GLN HG2 H 2.503 0.020 1 1381 128 128 GLN HG3 H 2.503 0.020 1 1382 128 128 GLN HE21 H 7.574 0.020 1 1383 128 128 GLN HE22 H 6.817 0.020 1 1384 128 128 GLN C C 179.479 0.3 1 1385 128 128 GLN CA C 58.568 0.3 1 1386 128 128 GLN CB C 28.479 0.3 1 1387 128 128 GLN CG C 34.419 0.3 1 1388 128 128 GLN N N 116.964 0.3 1 1389 128 128 GLN NE2 N 112.198 0.3 1 1390 129 129 THR H H 8.289 0.020 1 1391 129 129 THR HA H 4.000 0.020 1 1392 129 129 THR HB H 4.442 0.020 1 1393 129 129 THR HG2 H 1.494 0.020 1 1394 129 129 THR C C 177.087 0.3 1 1395 129 129 THR CA C 65.818 0.3 1 1396 129 129 THR CB C 68.380 0.3 1 1397 129 129 THR CG2 C 22.755 0.3 1 1398 129 129 THR N N 119.540 0.3 1 1399 130 130 VAL H H 8.601 0.020 1 1400 130 130 VAL HA H 3.510 0.020 1 1401 130 130 VAL HB H 2.003 0.020 1 1402 130 130 VAL HG1 H 0.842 0.020 2 1403 130 130 VAL HG2 H 0.457 0.020 2 1404 130 130 VAL C C 176.323 0.3 1 1405 130 130 VAL CA C 67.564 0.3 1 1406 130 130 VAL CB C 31.263 0.3 1 1407 130 130 VAL CG1 C 22.114 0.3 1 1408 130 130 VAL CG2 C 24.040 0.3 1 1409 130 130 VAL N N 121.650 0.3 1 1410 131 131 GLN H H 7.943 0.020 1 1411 131 131 GLN HA H 3.705 0.020 1 1412 131 131 GLN HB2 H 2.249 0.020 2 1413 131 131 GLN HB3 H 2.103 0.020 2 1414 131 131 GLN HG2 H 2.523 0.020 2 1415 131 131 GLN HG3 H 2.243 0.020 2 1416 131 131 GLN HE21 H 7.731 0.020 1 1417 131 131 GLN HE22 H 6.733 0.020 1 1418 131 131 GLN C C 179.096 0.3 1 1419 131 131 GLN CA C 60.032 0.3 1 1420 131 131 GLN CB C 28.414 0.3 1 1421 131 131 GLN CG C 33.909 0.3 1 1422 131 131 GLN N N 119.714 0.3 1 1423 131 131 GLN NE2 N 112.171 0.3 1 1424 132 132 GLY H H 8.221 0.020 1 1425 132 132 GLY HA2 H 4.015 0.020 2 1426 132 132 GLY HA3 H 3.905 0.020 2 1427 132 132 GLY C C 176.867 0.3 1 1428 132 132 GLY CA C 46.966 0.3 1 1429 132 132 GLY N N 104.829 0.3 1 1430 133 133 ALA H H 8.388 0.020 1 1431 133 133 ALA HA H 4.331 0.020 1 1432 133 133 ALA HB H 1.683 0.020 1 1433 133 133 ALA C C 180.445 0.3 1 1434 133 133 ALA CA C 54.991 0.3 1 1435 133 133 ALA CB C 19.306 0.3 1 1436 133 133 ALA N N 125.436 0.3 1 1437 134 134 LEU H H 8.364 0.020 1 1438 134 134 LEU HA H 4.353 0.020 1 1439 134 134 LEU HB2 H 1.689 0.020 2 1440 134 134 LEU HB3 H 1.603 0.020 2 1441 134 134 LEU HG H 1.485 0.020 1 1442 134 134 LEU HD1 H 0.491 0.020 2 1443 134 134 LEU HD2 H 0.504 0.020 2 1444 134 134 LEU C C 179.841 0.3 1 1445 134 134 LEU CA C 56.209 0.3 1 1446 134 134 LEU CB C 41.562 0.3 1 1447 134 134 LEU CG C 27.329 0.3 1 1448 134 134 LEU CD1 C 23.108 0.3 1 1449 134 134 LEU CD2 C 26.515 0.3 1 1450 134 134 LEU N N 117.166 0.3 1 1451 135 135 SER H H 7.713 0.020 1 1452 135 135 SER HA H 4.335 0.020 1 1453 135 135 SER HB2 H 4.081 0.020 1 1454 135 135 SER HB3 H 4.081 0.020 1 1455 135 135 SER C C 175.869 0.3 1 1456 135 135 SER CA C 61.845 0.3 1 1457 135 135 SER CB C 62.778 0.3 1 1458 135 135 SER N N 118.043 0.3 1 1459 136 136 GLY H H 7.859 0.020 1 1460 136 136 GLY HA2 H 4.392 0.020 2 1461 136 136 GLY HA3 H 3.827 0.020 2 1462 136 136 GLY C C 174.424 0.3 1 1463 136 136 GLY CA C 45.067 0.3 1 1464 136 136 GLY N N 108.026 0.3 1 1465 137 137 GLY H H 7.620 0.020 1 1466 137 137 GLY HA2 H 4.642 0.020 2 1467 137 137 GLY HA3 H 3.864 0.020 2 1468 137 137 GLY C C 172.896 0.3 1 1469 137 137 GLY CA C 43.823 0.3 1 1470 137 137 GLY N N 108.842 0.3 1 1471 138 138 ILE H H 7.087 0.020 1 1472 138 138 ILE HA H 4.069 0.020 1 1473 138 138 ILE HB H 0.690 0.020 1 1474 138 138 ILE HG12 H 1.206 0.020 2 1475 138 138 ILE HG13 H 1.046 0.020 2 1476 138 138 ILE HG2 H 0.272 0.020 1 1477 138 138 ILE HD1 H 0.579 0.020 1 1478 138 138 ILE C C 176.852 0.3 1 1479 138 138 ILE CA C 60.853 0.3 1 1480 138 138 ILE CB C 39.974 0.3 1 1481 138 138 ILE CG1 C 30.260 0.3 1 1482 138 138 ILE CG2 C 17.019 0.3 1 1483 138 138 ILE CD1 C 14.534 0.3 1 1484 138 138 ILE N N 118.323 0.3 1 1485 139 139 ASP H H 8.047 0.020 1 1486 139 139 ASP HA H 4.328 0.020 1 1487 139 139 ASP HB2 H 2.583 0.020 2 1488 139 139 ASP HB3 H 2.504 0.020 2 1489 139 139 ASP C C 177.395 0.3 1 1490 139 139 ASP CA C 56.937 0.3 1 1491 139 139 ASP CB C 39.919 0.3 1 1492 139 139 ASP N N 124.285 0.3 1 1493 140 140 GLY H H 8.350 0.020 1 1494 140 140 GLY HA2 H 3.919 0.020 2 1495 140 140 GLY HA3 H 3.791 0.020 2 1496 140 140 GLY C C 173.983 0.3 1 1497 140 140 GLY CA C 44.758 0.3 1 1498 140 140 GLY N N 108.718 0.3 1 1499 141 141 PHE H H 7.478 0.020 1 1500 141 141 PHE HA H 4.689 0.020 1 1501 141 141 PHE HB2 H 3.172 0.020 2 1502 141 141 PHE HB3 H 3.084 0.020 2 1503 141 141 PHE HD1 H 7.173 0.020 1 1504 141 141 PHE HD2 H 7.173 0.020 1 1505 141 141 PHE HE1 H 7.440 0.020 1 1506 141 141 PHE HE2 H 7.440 0.020 1 1507 141 141 PHE HZ H 7.101 0.020 1 1508 141 141 PHE C C 175.297 0.3 1 1509 141 141 PHE CA C 58.697 0.3 1 1510 141 141 PHE CB C 40.207 0.3 1 1511 141 141 PHE CD1 C 132.170 0.3 1 1512 141 141 PHE CD2 C 132.170 0.3 1 1513 141 141 PHE CE1 C 130.883 0.3 1 1514 141 141 PHE CE2 C 130.885 0.3 1 1515 141 141 PHE CZ C 127.988 0.3 1 1516 141 141 PHE N N 122.186 0.3 1 1517 142 142 GLY H H 7.727 0.020 1 1518 142 142 GLY HA2 H 3.857 0.020 2 1519 142 142 GLY HA3 H 1.978 0.020 2 1520 142 142 GLY C C 173.274 0.3 1 1521 142 142 GLY CA C 44.547 0.3 1 1522 142 142 GLY N N 116.158 0.3 1 1523 143 143 SER H H 8.621 0.020 1 1524 143 143 SER HA H 3.890 0.020 1 1525 143 143 SER HB2 H 3.850 0.020 1 1526 143 143 SER HB3 H 3.850 0.020 1 1527 143 143 SER C C 173.861 0.3 1 1528 143 143 SER CA C 60.662 0.3 1 1529 143 143 SER CB C 62.907 0.3 1 1530 143 143 SER N N 118.522 0.3 1 1531 144 144 ASN H H 8.617 0.020 1 1532 144 144 ASN HA H 4.582 0.020 1 1533 144 144 ASN HB2 H 2.709 0.020 1 1534 144 144 ASN HB3 H 2.709 0.020 1 1535 144 144 ASN HD21 H 7.568 0.020 1 1536 144 144 ASN HD22 H 6.978 0.020 1 1537 144 144 ASN C C 175.596 0.3 1 1538 144 144 ASN CA C 54.709 0.3 1 1539 144 144 ASN CB C 38.575 0.3 1 1540 144 144 ASN N N 116.619 0.3 1 1541 144 144 ASN ND2 N 113.981 0.3 1 1542 145 145 ASN H H 7.604 0.020 1 1543 145 145 ASN HA H 4.780 0.020 1 1544 145 145 ASN HB2 H 2.687 0.020 1 1545 145 145 ASN HB3 H 2.687 0.020 1 1546 145 145 ASN HD21 H 6.365 0.020 1 1547 145 145 ASN HD22 H 7.227 0.020 1 1548 145 145 ASN C C 174.904 0.3 1 1549 145 145 ASN CA C 53.068 0.3 1 1550 145 145 ASN CB C 39.476 0.3 1 1551 145 145 ASN N N 114.590 0.3 1 1552 145 145 ASN ND2 N 107.531 0.3 1 1553 146 146 ALA H H 8.314 0.020 1 1554 146 146 ALA HA H 4.646 0.020 1 1555 146 146 ALA HB H 0.914 0.020 1 1556 146 146 ALA C C 174.713 0.3 1 1557 146 146 ALA CA C 51.536 0.3 1 1558 146 146 ALA CB C 18.552 0.3 1 1559 146 146 ALA N N 123.979 0.3 1 1560 147 147 VAL H H 8.324 0.020 1 1561 147 147 VAL HA H 4.877 0.020 1 1562 147 147 VAL HB H 2.313 0.020 1 1563 147 147 VAL HG1 H 0.953 0.020 2 1564 147 147 VAL HG2 H 0.742 0.020 2 1565 147 147 VAL C C 177.148 0.3 1 1566 147 147 VAL CA C 59.292 0.3 1 1567 147 147 VAL CB C 35.384 0.3 1 1568 147 147 VAL CG1 C 22.864 0.3 1 1569 147 147 VAL CG2 C 18.280 0.3 1 1570 147 147 VAL N N 117.364 0.3 1 1571 148 148 THR H H 8.834 0.020 1 1572 148 148 THR HA H 4.844 0.020 1 1573 148 148 THR HB H 4.758 0.020 1 1574 148 148 THR HG2 H 1.170 0.020 1 1575 148 148 THR C C 176.097 0.3 1 1576 148 148 THR CA C 60.546 0.3 1 1577 148 148 THR CB C 71.419 0.3 1 1578 148 148 THR CG2 C 21.552 0.3 1 1579 148 148 THR N N 113.235 0.3 1 1580 149 149 THR H H 8.139 0.020 1 1581 149 149 THR HA H 4.349 0.020 1 1582 149 149 THR HB H 4.171 0.020 1 1583 149 149 THR HG2 H 0.370 0.020 1 1584 149 149 THR CA C 60.519 0.3 1 1585 149 149 THR CB C 71.333 0.3 1 1586 149 149 THR CG2 C 21.377 0.3 1 1587 149 149 THR N N 111.670 0.3 1 1588 150 150 CYS H H 7.581 0.020 1 1589 150 150 CYS HA H 4.297 0.020 1 1590 150 150 CYS HB2 H 3.531 0.020 2 1591 150 150 CYS HB3 H 2.650 0.020 2 1592 150 150 CYS C C 174.165 0.3 1 1593 150 150 CYS CA C 55.035 0.3 1 1594 150 150 CYS CB C 45.992 0.3 1 1595 150 150 CYS N N 118.876 0.3 1 1596 151 151 GLY H H 8.629 0.020 1 1597 151 151 GLY HA2 H 3.972 0.020 1 1598 151 151 GLY HA3 H 3.972 0.020 1 1599 151 151 GLY C C 173.878 0.3 1 1600 151 151 GLY CA C 45.273 0.3 1 1601 151 151 GLY N N 109.620 0.3 1 1602 152 152 ASN CA C 53.484 0.3 1 1603 152 152 ASN CB C 38.933 0.3 1 1604 153 153 GLY H H 8.514 0.020 1 1605 153 153 GLY HA2 H 3.958 0.020 1 1606 153 153 GLY HA3 H 3.958 0.020 1 1607 153 153 GLY C C 173.470 0.3 1 1608 153 153 GLY CA C 45.273 0.3 1 1609 153 153 GLY N N 110.055 0.3 1 1610 154 154 SER H H 7.874 0.020 1 1611 154 154 SER HA H 4.296 0.020 1 1612 154 154 SER HB2 H 3.860 0.020 1 1613 154 154 SER HB3 H 3.860 0.020 1 1614 154 154 SER C C 178.709 0.3 1 1615 154 154 SER CA C 59.942 0.3 1 1616 154 154 SER CB C 63.814 0.3 1 1617 154 154 SER N N 121.374 0.3 1 stop_ save_