data_17158 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DNA repair protein zinc finger 2 ; _BMRB_accession_number 17158 _BMRB_flat_file_name bmr17158.str _Entry_type original _Submission_date 2010-08-30 _Accession_date 2010-08-30 _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 Neuhaus David . . 2 Eustermann Sebastian . . 3 Yang Ji-Chun . . 4 Videler Hortense . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 603 "13C chemical shifts" 366 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-03 update BMRB 'update entry citation' 2011-01-27 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17157 'PARP-1 Finger 1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The DNA-Binding Domain of Human PARP-1 Interacts with DNA Single-Strand Breaks as a Monomer through Its Second Zinc Finger.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21262234 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eustermann Sebastian . . 2 Videler Hortense . . 3 Yang Ji-Chun . . 4 Cole Paul T. . 5 Gruszka Dominika . . 6 Veprintsev Dmitry . . 7 Neuhaus David . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 407 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 149 _Page_last 170 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PARP-1 Finger 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PARP-1 Finger 2' $PARP-1_Finger_2 'ZINC ION' $ZN 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_PARP-1_Finger_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PARP-1_Finger_2 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GSKAEKTLGDFAAEYAKSNR STCKGCMEKIEKGQVRLSKK MVDPEKPQLGMIDRWYHPGC FVKNREELGFRPEYSASQLK GFSLLATEDKEALKKQLPGV KSEGKRKGDEVD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 103 GLY 2 104 SER 3 105 LYS 4 106 ALA 5 107 GLU 6 108 LYS 7 109 THR 8 110 LEU 9 111 GLY 10 112 ASP 11 113 PHE 12 114 ALA 13 115 ALA 14 116 GLU 15 117 TYR 16 118 ALA 17 119 LYS 18 120 SER 19 121 ASN 20 122 ARG 21 123 SER 22 124 THR 23 125 CYS 24 126 LYS 25 127 GLY 26 128 CYS 27 129 MET 28 130 GLU 29 131 LYS 30 132 ILE 31 133 GLU 32 134 LYS 33 135 GLY 34 136 GLN 35 137 VAL 36 138 ARG 37 139 LEU 38 140 SER 39 141 LYS 40 142 LYS 41 143 MET 42 144 VAL 43 145 ASP 44 146 PRO 45 147 GLU 46 148 LYS 47 149 PRO 48 150 GLN 49 151 LEU 50 152 GLY 51 153 MET 52 154 ILE 53 155 ASP 54 156 ARG 55 157 TRP 56 158 TYR 57 159 HIS 58 160 PRO 59 161 GLY 60 162 CYS 61 163 PHE 62 164 VAL 63 165 LYS 64 166 ASN 65 167 ARG 66 168 GLU 67 169 GLU 68 170 LEU 69 171 GLY 70 172 PHE 71 173 ARG 72 174 PRO 73 175 GLU 74 176 TYR 75 177 SER 76 178 ALA 77 179 SER 78 180 GLN 79 181 LEU 80 182 LYS 81 183 GLY 82 184 PHE 83 185 SER 84 186 LEU 85 187 LEU 86 188 ALA 87 189 THR 88 190 GLU 89 191 ASP 90 192 LYS 91 193 GLU 92 194 ALA 93 195 LEU 94 196 LYS 95 197 LYS 96 198 GLN 97 199 LEU 98 200 PRO 99 201 GLY 100 202 VAL 101 203 LYS 102 204 SER 103 205 GLU 104 206 GLY 105 207 LYS 106 208 ARG 107 209 LYS 108 210 GLY 109 211 ASP 110 212 GLU 111 213 VAL 112 214 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2CS2 "Solution Structure Of The Second Zn-Finger Domain Of Poly(Adp-Ribose) Polymerase-1" 100.00 134 100.00 100.00 6.54e-75 PDB 2L31 "Human Parp-1 Zinc Finger 2" 100.00 112 100.00 100.00 9.76e-75 PDB 3ODC "Human Parp-1 Zinc Finger 2 (Zn2) Bound To Dna" 91.07 111 100.00 100.00 7.17e-68 PDB 3ODE "Human Parp-1 Zinc Finger 2 (Zn2) Bound To Dna" 91.07 111 100.00 100.00 7.17e-68 REF XP_002809428 "PREDICTED: poly [ADP-ribose] polymerase 1 [Pongo abelii]" 100.00 972 99.11 100.00 2.62e-68 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PARP-1_Finger_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PARP-1_Finger_2 'recombinant technology' . Escherichia coli . PET28A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PARP-1_Finger_2 . mM 0.5 1 '[U-98% 15N; U-98% 13C]' TRIS 50 mM . . '[U-99% 2H]' 'sodium chloride' 200 mM . . 'natural abundance' $ZN 150 uM . . 'natural abundance' DTT 4 mM . . '[U-99% 2H]' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ATNOSCANDID _Saveframe_category software _Name ATHNOS-CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_15N-filtered_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY 15N-filtered' _Sample_label $sample_1 save_ save_3D_CBCAHN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCAHN' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHAHN_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHAHN' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_[1H-13C-1H]_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H-13C-1H] HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_[13C-13C-1H]_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [13C-13C-1H] HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 0.201 . M pH 7.0 . pH pressure 1 . atm temperature 300 . 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 TSP C 13 'methyl protons' ppm 0.0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 TSP N 15 'methyl protons' ppm 0.0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' '2D 1H-1H NOESY 15N-filtered' '3D CBCAHN' '3D CBCA(CO)NH' '3D HBHAHN' '3D HBHA(CO)NH' '3D [1H-13C-1H] HCCH-TOCSY' '3D [13C-13C-1H] HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 'PARP-1 Finger 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 104 2 SER HA H 4.563 0.020 1 2 104 2 SER HB2 H 3.938 0.020 2 3 104 2 SER HB3 H 3.908 0.020 2 4 104 2 SER CA C 58.341 0.100 1 5 104 2 SER CB C 64.079 0.100 1 6 105 3 LYS HA H 4.365 0.020 1 7 105 3 LYS HB2 H 1.892 0.020 2 8 105 3 LYS HB3 H 1.822 0.020 2 9 105 3 LYS CA C 56.686 0.100 1 10 105 3 LYS CB C 32.947 0.100 1 11 106 4 ALA H H 8.343 0.020 1 12 106 4 ALA HA H 4.335 0.020 1 13 106 4 ALA HB H 1.409 0.020 1 14 106 4 ALA CA C 52.609 0.100 1 15 106 4 ALA CB C 19.302 0.100 1 16 106 4 ALA N N 125.197 0.100 1 17 107 5 GLU H H 8.324 0.020 1 18 107 5 GLU HA H 4.371 0.020 1 19 107 5 GLU HB2 H 1.906 0.020 2 20 107 5 GLU HB3 H 1.803 0.020 2 21 107 5 GLU HG2 H 2.297 0.020 2 22 107 5 GLU CA C 56.032 0.100 1 23 107 5 GLU CB C 30.992 0.100 1 24 107 5 GLU CG C 32.135 0.100 1 25 107 5 GLU N N 120.292 0.100 1 26 108 6 LYS H H 8.636 0.020 1 27 108 6 LYS HA H 4.376 0.020 1 28 108 6 LYS HB2 H 1.848 0.020 2 29 108 6 LYS CA C 56.504 0.100 1 30 108 6 LYS CB C 33.012 0.100 1 31 108 6 LYS N N 123.866 0.100 1 32 109 7 THR H H 8.148 0.020 1 33 109 7 THR HA H 4.407 0.020 1 34 109 7 THR HB H 4.047 0.020 1 35 109 7 THR HG2 H 1.295 0.020 1 36 109 7 THR CA C 62.648 0.100 1 37 109 7 THR CB C 70.396 0.100 1 38 109 7 THR CG2 C 22.160 0.100 1 39 109 7 THR N N 116.661 0.100 1 40 110 8 LEU H H 8.978 0.020 1 41 110 8 LEU HA H 4.415 0.020 1 42 110 8 LEU HB2 H 2.002 0.020 2 43 110 8 LEU HB3 H 1.841 0.020 2 44 110 8 LEU HD1 H 0.480 0.020 2 45 110 8 LEU HD2 H 0.408 0.020 2 46 110 8 LEU HG H 1.560 0.020 1 47 110 8 LEU CA C 54.697 0.100 1 48 110 8 LEU CB C 42.786 0.100 1 49 110 8 LEU CD1 C 22.123 0.100 2 50 110 8 LEU CD2 C 26.511 0.100 2 51 110 8 LEU CG C 25.146 0.100 1 52 110 8 LEU N N 127.721 0.100 1 53 111 9 GLY H H 8.490 0.020 1 54 111 9 GLY HA2 H 4.057 0.020 2 55 111 9 GLY HA3 H 3.872 0.020 2 56 111 9 GLY CA C 46.251 0.100 1 57 111 9 GLY N N 107.220 0.100 1 58 112 10 ASP H H 8.666 0.020 1 59 112 10 ASP HA H 4.505 0.020 1 60 112 10 ASP HB2 H 2.490 0.020 2 61 112 10 ASP HB3 H 2.426 0.020 2 62 112 10 ASP CA C 54.101 0.100 1 63 112 10 ASP CB C 40.523 0.100 1 64 112 10 ASP N N 116.181 0.100 1 65 113 11 PHE H H 7.353 0.020 1 66 113 11 PHE HA H 5.779 0.020 1 67 113 11 PHE HB2 H 3.202 0.020 2 68 113 11 PHE HB3 H 2.883 0.020 2 69 113 11 PHE HD1 H 7.640 0.020 1 70 113 11 PHE HD2 H 7.640 0.020 1 71 113 11 PHE HE1 H 7.519 0.020 1 72 113 11 PHE HE2 H 7.519 0.020 1 73 113 11 PHE HZ H 6.392 0.020 1 74 113 11 PHE CA C 56.498 0.100 1 75 113 11 PHE CB C 44.224 0.100 1 76 113 11 PHE CD1 C 133.569 0.100 1 77 113 11 PHE CD2 C 133.569 0.100 1 78 113 11 PHE CE1 C 131.532 0.100 1 79 113 11 PHE CE2 C 131.532 0.100 1 80 113 11 PHE CZ C 129.284 0.100 1 81 113 11 PHE N N 116.313 0.100 1 82 114 12 ALA H H 8.428 0.020 1 83 114 12 ALA HA H 5.409 0.020 1 84 114 12 ALA HB H 1.412 0.020 1 85 114 12 ALA CA C 50.871 0.100 1 86 114 12 ALA CB C 24.134 0.100 1 87 114 12 ALA N N 123.738 0.100 1 88 115 13 ALA H H 8.673 0.020 1 89 115 13 ALA HA H 5.506 0.020 1 90 115 13 ALA HB H 1.092 0.020 1 91 115 13 ALA CA C 50.453 0.100 1 92 115 13 ALA CB C 24.015 0.100 1 93 115 13 ALA N N 118.691 0.100 1 94 116 14 GLU H H 8.693 0.020 1 95 116 14 GLU HA H 4.429 0.020 1 96 116 14 GLU HB2 H 2.373 0.020 2 97 116 14 GLU HB3 H 1.867 0.020 2 98 116 14 GLU HG2 H 2.196 0.020 2 99 116 14 GLU CA C 54.941 0.100 1 100 116 14 GLU CB C 32.399 0.100 1 101 116 14 GLU CG C 35.744 0.100 1 102 116 14 GLU N N 115.305 0.100 1 103 117 15 TYR H H 8.162 0.020 1 104 117 15 TYR HA H 4.707 0.020 1 105 117 15 TYR HB2 H 2.602 0.020 2 106 117 15 TYR HD1 H 7.032 0.020 1 107 117 15 TYR HD2 H 7.032 0.020 1 108 117 15 TYR HE1 H 6.860 0.020 1 109 117 15 TYR HE2 H 6.860 0.020 1 110 117 15 TYR CA C 58.039 0.100 1 111 117 15 TYR CB C 38.923 0.100 1 112 117 15 TYR CD1 C 132.967 0.100 1 113 117 15 TYR CD2 C 132.967 0.100 1 114 117 15 TYR CE1 C 117.915 0.100 1 115 117 15 TYR CE2 C 117.915 0.100 1 116 117 15 TYR N N 117.006 0.100 1 117 118 16 ALA H H 9.147 0.020 1 118 118 16 ALA HA H 3.868 0.020 1 119 118 16 ALA HB H 1.387 0.020 1 120 118 16 ALA CA C 53.050 0.100 1 121 118 16 ALA CB C 18.526 0.100 1 122 118 16 ALA N N 125.520 0.100 1 123 119 17 LYS HA H 4.231 0.020 1 124 119 17 LYS HB2 H 2.016 0.020 2 125 119 17 LYS HB3 H 1.787 0.020 2 126 119 17 LYS CA C 57.373 0.100 1 127 119 17 LYS CB C 32.925 0.100 1 128 120 18 SER H H 7.828 0.020 1 129 120 18 SER HA H 4.697 0.020 1 130 120 18 SER HB2 H 4.086 0.020 2 131 120 18 SER HB3 H 3.857 0.020 2 132 120 18 SER CA C 56.473 0.100 1 133 120 18 SER CB C 66.246 0.100 1 134 120 18 SER N N 113.508 0.100 1 135 121 19 ASN HA H 5.298 0.020 1 136 121 19 ASN HB2 H 3.068 0.020 2 137 121 19 ASN HB3 H 2.927 0.020 2 138 121 19 ASN HD21 H 7.748 0.020 2 139 121 19 ASN HD22 H 6.992 0.020 2 140 121 19 ASN CA C 52.596 0.100 1 141 121 19 ASN CB C 39.019 0.100 1 142 121 19 ASN ND2 N 112.508 0.100 1 143 122 20 ARG H H 7.793 0.020 1 144 122 20 ARG HA H 4.247 0.020 1 145 122 20 ARG HB2 H 2.024 0.020 2 146 122 20 ARG HB3 H 1.753 0.020 2 147 122 20 ARG HD2 H 3.245 0.020 2 148 122 20 ARG HD3 H 3.220 0.020 2 149 122 20 ARG HG2 H 1.725 0.020 2 150 122 20 ARG HG3 H 1.622 0.020 2 151 122 20 ARG CA C 57.476 0.100 1 152 122 20 ARG CB C 31.489 0.100 1 153 122 20 ARG CD C 43.412 0.100 1 154 122 20 ARG CG C 27.864 0.100 1 155 122 20 ARG N N 115.288 0.100 1 156 123 21 SER H H 9.139 0.020 1 157 123 21 SER HA H 4.767 0.020 1 158 123 21 SER HB2 H 3.721 0.020 2 159 123 21 SER HB3 H 3.567 0.020 2 160 123 21 SER CA C 58.096 0.100 1 161 123 21 SER CB C 65.955 0.100 1 162 123 21 SER N N 119.311 0.100 1 163 124 22 THR H H 8.243 0.020 1 164 124 22 THR HA H 4.305 0.020 1 165 124 22 THR HB H 3.737 0.020 1 166 124 22 THR HG2 H 0.950 0.020 1 167 124 22 THR CA C 61.144 0.100 1 168 124 22 THR CB C 71.176 0.100 1 169 124 22 THR CG2 C 21.641 0.100 1 170 124 22 THR N N 116.507 0.100 1 171 125 23 CYS H H 8.367 0.020 1 172 125 23 CYS HA H 4.486 0.020 1 173 125 23 CYS HB2 H 3.394 0.020 2 174 125 23 CYS HB3 H 1.908 0.020 2 175 125 23 CYS CA C 57.572 0.100 1 176 125 23 CYS CB C 30.822 0.100 1 177 125 23 CYS N N 126.274 0.100 1 178 126 24 LYS H H 8.712 0.020 1 179 126 24 LYS HA H 4.177 0.020 1 180 126 24 LYS HB2 H 1.573 0.020 2 181 126 24 LYS HB3 H 1.317 0.020 2 182 126 24 LYS HE2 H 3.050 0.020 1 183 126 24 LYS HE3 H 3.050 0.020 1 184 126 24 LYS HG2 H 1.772 0.020 2 185 126 24 LYS HG3 H 1.407 0.020 2 186 126 24 LYS CA C 55.878 0.100 1 187 126 24 LYS CB C 30.941 0.100 1 188 126 24 LYS CD C 28.084 0.100 1 189 126 24 LYS CE C 42.543 0.100 1 190 126 24 LYS CG C 24.640 0.100 1 191 126 24 LYS N N 129.197 0.100 1 192 127 25 GLY H H 9.216 0.020 1 193 127 25 GLY HA2 H 4.371 0.020 2 194 127 25 GLY HA3 H 3.705 0.020 2 195 127 25 GLY CA C 46.104 0.100 1 196 127 25 GLY N N 111.602 0.100 1 197 128 26 CYS H H 8.085 0.020 1 198 128 26 CYS HA H 5.062 0.020 1 199 128 26 CYS HB2 H 3.406 0.020 2 200 128 26 CYS HB3 H 3.117 0.020 2 201 128 26 CYS CA C 58.441 0.100 1 202 128 26 CYS CB C 32.133 0.100 1 203 128 26 CYS N N 119.391 0.100 1 204 129 27 MET H H 8.166 0.020 1 205 129 27 MET HA H 4.349 0.020 1 206 129 27 MET HB2 H 2.475 0.020 2 207 129 27 MET HB3 H 2.339 0.020 2 208 129 27 MET HE H 2.081 0.020 1 209 129 27 MET HG2 H 2.651 0.020 2 210 129 27 MET CA C 57.149 0.100 1 211 129 27 MET CB C 28.412 0.100 1 212 129 27 MET CE C 16.906 0.100 1 213 129 27 MET CG C 33.180 0.100 1 214 129 27 MET N N 117.432 0.100 1 215 130 28 GLU H H 8.443 0.020 1 216 130 28 GLU HA H 4.826 0.020 1 217 130 28 GLU HB2 H 2.352 0.020 2 218 130 28 GLU HG2 H 2.512 0.020 2 219 130 28 GLU HG3 H 2.364 0.020 2 220 130 28 GLU CA C 55.062 0.100 1 221 130 28 GLU CB C 31.810 0.100 1 222 130 28 GLU CG C 36.115 0.100 1 223 130 28 GLU N N 119.461 0.100 1 224 131 29 LYS H H 8.719 0.020 1 225 131 29 LYS HA H 4.326 0.020 1 226 131 29 LYS HB2 H 1.871 0.020 2 227 131 29 LYS HB3 H 1.743 0.020 2 228 131 29 LYS HG2 H 1.496 0.020 2 229 131 29 LYS HG3 H 1.407 0.020 2 230 131 29 LYS CA C 56.903 0.100 1 231 131 29 LYS CB C 32.914 0.100 1 232 131 29 LYS CG C 24.430 0.100 1 233 131 29 LYS N N 119.804 0.100 1 234 132 30 ILE H H 8.134 0.020 1 235 132 30 ILE HA H 4.219 0.020 1 236 132 30 ILE HB H 1.421 0.020 1 237 132 30 ILE HD1 H 0.399 0.020 1 238 132 30 ILE HG12 H 1.187 0.020 2 239 132 30 ILE HG13 H 0.084 0.020 2 240 132 30 ILE HG2 H 0.726 0.020 1 241 132 30 ILE CA C 61.027 0.100 1 242 132 30 ILE CB C 37.514 0.100 1 243 132 30 ILE CD1 C 13.848 0.100 1 244 132 30 ILE CG1 C 28.044 0.100 1 245 132 30 ILE CG2 C 17.627 0.100 1 246 132 30 ILE N N 124.767 0.100 1 247 133 31 GLU H H 8.750 0.020 1 248 133 31 GLU HA H 4.211 0.020 1 249 133 31 GLU HB2 H 2.079 0.020 2 250 133 31 GLU HB3 H 1.813 0.020 2 251 133 31 GLU HG2 H 2.443 0.020 2 252 133 31 GLU HG3 H 2.304 0.020 2 253 133 31 GLU CA C 56.240 0.100 1 254 133 31 GLU CB C 30.587 0.100 1 255 133 31 GLU CG C 36.447 0.100 1 256 133 31 GLU N N 128.367 0.100 1 257 134 32 LYS H H 8.288 0.020 1 258 134 32 LYS HA H 3.495 0.020 1 259 134 32 LYS HB2 H 1.673 0.020 2 260 134 32 LYS HB3 H 1.317 0.020 2 261 134 32 LYS HD2 H 1.616 0.020 2 262 134 32 LYS HE2 H 2.956 0.020 2 263 134 32 LYS HE3 H 2.954 0.020 2 264 134 32 LYS HG2 H 1.221 0.020 2 265 134 32 LYS HG3 H 1.028 0.020 2 266 134 32 LYS CA C 58.380 0.100 1 267 134 32 LYS CB C 33.059 0.100 1 268 134 32 LYS CD C 29.997 0.100 1 269 134 32 LYS CE C 42.012 0.100 1 270 134 32 LYS CG C 24.647 0.100 1 271 134 32 LYS N N 121.202 0.100 1 272 135 33 GLY H H 9.046 0.020 1 273 135 33 GLY HA2 H 4.326 0.020 2 274 135 33 GLY HA3 H 3.556 0.020 2 275 135 33 GLY CA C 45.015 0.100 1 276 135 33 GLY N N 114.819 0.100 1 277 136 34 GLN H H 7.819 0.020 1 278 136 34 GLN HA H 4.588 0.020 1 279 136 34 GLN HB2 H 2.385 0.020 2 280 136 34 GLN HB3 H 2.252 0.020 2 281 136 34 GLN HE21 H 7.819 0.020 2 282 136 34 GLN HE22 H 7.109 0.020 2 283 136 34 GLN HG2 H 2.525 0.020 2 284 136 34 GLN HG3 H 2.429 0.020 2 285 136 34 GLN CA C 55.033 0.100 1 286 136 34 GLN CB C 29.398 0.100 1 287 136 34 GLN CG C 35.001 0.100 1 288 136 34 GLN N N 118.489 0.100 1 289 136 34 GLN NE2 N 114.010 0.100 1 290 137 35 VAL H H 8.756 0.020 1 291 137 35 VAL HA H 3.992 0.020 1 292 137 35 VAL HB H 1.931 0.020 1 293 137 35 VAL HG1 H 0.734 0.020 2 294 137 35 VAL HG2 H 0.884 0.020 2 295 137 35 VAL CA C 63.865 0.100 1 296 137 35 VAL CB C 31.940 0.100 1 297 137 35 VAL CG1 C 22.179 0.100 2 298 137 35 VAL CG2 C 23.845 0.100 2 299 137 35 VAL N N 122.168 0.100 1 300 138 36 ARG H H 9.164 0.020 1 301 138 36 ARG HA H 5.231 0.020 1 302 138 36 ARG HB2 H 1.808 0.020 2 303 138 36 ARG HB3 H 1.757 0.020 2 304 138 36 ARG HD2 H 2.309 0.020 2 305 138 36 ARG HD3 H 1.793 0.020 2 306 138 36 ARG HG2 H 1.484 0.020 2 307 138 36 ARG HG3 H 1.368 0.020 2 308 138 36 ARG CA C 53.451 0.100 1 309 138 36 ARG CB C 34.294 0.100 1 310 138 36 ARG CD C 44.038 0.100 1 311 138 36 ARG CG C 24.920 0.100 1 312 138 36 ARG N N 121.531 0.100 1 313 139 37 LEU H H 9.113 0.020 1 314 139 37 LEU HA H 5.786 0.020 1 315 139 37 LEU HB2 H 1.212 0.020 2 316 139 37 LEU HB3 H 0.958 0.020 2 317 139 37 LEU HD1 H 0.408 0.020 2 318 139 37 LEU HD2 H 0.306 0.020 2 319 139 37 LEU HG H 1.405 0.020 1 320 139 37 LEU CA C 52.788 0.100 1 321 139 37 LEU CB C 45.523 0.100 1 322 139 37 LEU CD1 C 24.938 0.100 2 323 139 37 LEU CD2 C 24.962 0.100 2 324 139 37 LEU CG C 28.524 0.100 1 325 139 37 LEU N N 122.188 0.100 1 326 140 38 SER H H 9.212 0.020 1 327 140 38 SER HA H 5.777 0.020 1 328 140 38 SER HB2 H 2.523 0.020 2 329 140 38 SER HB3 H 2.224 0.020 2 330 140 38 SER CA C 54.956 0.100 1 331 140 38 SER CB C 65.936 0.100 1 332 140 38 SER N N 115.682 0.100 1 333 141 39 LYS H H 7.937 0.020 1 334 141 39 LYS HA H 4.888 0.020 1 335 141 39 LYS HB2 H 1.783 0.020 2 336 141 39 LYS HD2 H 1.937 0.020 2 337 141 39 LYS HD3 H 1.711 0.020 2 338 141 39 LYS HE2 H 3.032 0.020 2 339 141 39 LYS HE3 H 2.857 0.020 2 340 141 39 LYS HG2 H 1.131 0.020 2 341 141 39 LYS HG3 H 0.873 0.020 2 342 141 39 LYS CA C 55.128 0.100 1 343 141 39 LYS CB C 37.617 0.100 1 344 141 39 LYS CD C 30.136 0.100 1 345 141 39 LYS CE C 43.134 0.100 1 346 141 39 LYS CG C 25.892 0.100 1 347 141 39 LYS N N 118.982 0.100 1 348 142 40 LYS H H 8.216 0.020 1 349 142 40 LYS HB2 H 1.472 0.020 2 350 142 40 LYS HB3 H 1.445 0.020 2 351 142 40 LYS HD2 H 1.450 0.020 2 352 142 40 LYS HE2 H 2.878 0.020 2 353 142 40 LYS HE3 H 2.729 0.020 2 354 142 40 LYS HG2 H 1.127 0.020 2 355 142 40 LYS CA C 55.017 0.100 1 356 142 40 LYS CB C 33.461 0.100 1 357 142 40 LYS CD C 29.255 0.100 1 358 142 40 LYS CE C 42.099 0.100 1 359 142 40 LYS CG C 25.027 0.100 1 360 142 40 LYS N N 127.342 0.100 1 361 143 41 MET H H 8.871 0.020 1 362 143 41 MET HA H 4.700 0.020 1 363 143 41 MET HB2 H 2.060 0.020 2 364 143 41 MET HB3 H 1.974 0.020 2 365 143 41 MET HE H 2.103 0.020 1 366 143 41 MET HG2 H 2.407 0.020 2 367 143 41 MET HG3 H 2.218 0.020 2 368 143 41 MET CA C 55.104 0.100 1 369 143 41 MET CB C 36.422 0.100 1 370 143 41 MET CE C 17.016 0.100 1 371 143 41 MET CG C 30.621 0.100 1 372 143 41 MET N N 120.777 0.100 1 373 144 42 VAL H H 8.460 0.020 1 374 144 42 VAL HA H 4.172 0.020 1 375 144 42 VAL HB H 1.906 0.020 1 376 144 42 VAL HG1 H 0.884 0.020 2 377 144 42 VAL HG2 H 0.848 0.020 2 378 144 42 VAL CA C 62.084 0.100 1 379 144 42 VAL CB C 32.831 0.100 1 380 144 42 VAL CG1 C 21.488 0.100 2 381 144 42 VAL CG2 C 21.262 0.100 2 382 144 42 VAL N N 122.452 0.100 1 383 145 43 ASP H H 9.486 0.020 1 384 145 43 ASP HA H 4.750 0.020 1 385 145 43 ASP HB2 H 2.941 0.020 2 386 145 43 ASP HB3 H 2.448 0.020 2 387 145 43 ASP CA C 50.974 0.100 1 388 145 43 ASP CB C 42.248 0.100 1 389 145 43 ASP N N 129.923 0.100 1 390 146 44 PRO HA H 4.276 0.020 1 391 146 44 PRO HB2 H 2.355 0.020 2 392 146 44 PRO HB3 H 2.053 0.020 2 393 146 44 PRO HD2 H 4.038 0.020 2 394 146 44 PRO HD3 H 3.915 0.020 2 395 146 44 PRO HG2 H 2.052 0.020 2 396 146 44 PRO HG3 H 2.037 0.020 2 397 146 44 PRO CA C 64.170 0.100 1 398 146 44 PRO CB C 32.266 0.100 1 399 146 44 PRO CD C 50.928 0.100 1 400 146 44 PRO CG C 27.382 0.100 1 401 147 45 GLU H H 8.421 0.020 1 402 147 45 GLU HA H 4.294 0.020 1 403 147 45 GLU HB2 H 2.165 0.020 2 404 147 45 GLU HB3 H 2.040 0.020 2 405 147 45 GLU HG2 H 2.376 0.020 2 406 147 45 GLU HG3 H 2.262 0.020 2 407 147 45 GLU CA C 57.159 0.100 1 408 147 45 GLU CB C 30.722 0.100 1 409 147 45 GLU CG C 37.507 0.100 1 410 147 45 GLU N N 115.925 0.100 1 411 148 46 LYS H H 7.832 0.020 1 412 148 46 LYS HA H 4.867 0.020 1 413 148 46 LYS HB2 H 1.836 0.020 2 414 148 46 LYS HB3 H 1.677 0.020 2 415 148 46 LYS HD2 H 1.717 0.020 2 416 148 46 LYS HE2 H 3.011 0.020 1 417 148 46 LYS HE3 H 3.011 0.020 1 418 148 46 LYS HG3 H 1.307 0.020 2 419 148 46 LYS CA C 53.680 0.100 1 420 148 46 LYS CB C 33.750 0.100 1 421 148 46 LYS CD C 29.928 0.100 1 422 148 46 LYS CE C 42.561 0.100 1 423 148 46 LYS CG C 24.620 0.100 1 424 148 46 LYS N N 118.481 0.100 1 425 149 47 PRO HA H 4.365 0.020 1 426 149 47 PRO HB2 H 2.181 0.020 2 427 149 47 PRO HB3 H 2.003 0.020 2 428 149 47 PRO HD2 H 3.645 0.020 2 429 149 47 PRO HD3 H 3.425 0.020 2 430 149 47 PRO HG2 H 2.062 0.020 2 431 149 47 PRO CA C 65.069 0.100 1 432 149 47 PRO CB C 31.311 0.100 1 433 149 47 PRO CD C 50.186 0.100 1 434 149 47 PRO CG C 27.243 0.100 1 435 150 48 GLN H H 9.328 0.020 1 436 150 48 GLN HA H 4.275 0.020 1 437 150 48 GLN HB2 H 2.197 0.020 2 438 150 48 GLN HB3 H 2.102 0.020 2 439 150 48 GLN HG2 H 2.524 0.020 2 440 150 48 GLN HG3 H 2.418 0.020 2 441 150 48 GLN CA C 57.568 0.100 1 442 150 48 GLN CB C 26.812 0.100 1 443 150 48 GLN CG C 35.159 0.100 1 444 150 48 GLN N N 119.492 0.100 1 445 150 48 GLN NE2 N 107.850 0.100 1 446 151 49 LEU H H 7.635 0.020 1 447 151 49 LEU HA H 4.309 0.020 1 448 151 49 LEU HB2 H 1.962 0.020 2 449 151 49 LEU HB3 H 1.664 0.020 2 450 151 49 LEU HD1 H 1.041 0.020 2 451 151 49 LEU HD2 H 0.907 0.020 2 452 151 49 LEU HG H 1.696 0.020 1 453 151 49 LEU CA C 55.363 0.100 1 454 151 49 LEU CB C 41.744 0.100 1 455 151 49 LEU CD1 C 25.832 0.100 2 456 151 49 LEU CD2 C 22.335 0.100 2 457 151 49 LEU CG C 27.108 0.100 1 458 151 49 LEU N N 119.306 0.100 1 459 152 50 GLY H H 7.742 0.020 1 460 152 50 GLY HA2 H 4.054 0.020 2 461 152 50 GLY HA3 H 3.717 0.020 2 462 152 50 GLY CA C 44.845 0.100 1 463 152 50 GLY N N 105.515 0.100 1 464 153 51 MET H H 8.369 0.020 1 465 153 51 MET HA H 4.082 0.020 1 466 153 51 MET HB2 H 1.982 0.020 2 467 153 51 MET HB3 H 1.590 0.020 2 468 153 51 MET HE H 1.975 0.020 1 469 153 51 MET HG2 H 2.492 0.020 2 470 153 51 MET HG3 H 2.335 0.020 2 471 153 51 MET CA C 55.943 0.100 1 472 153 51 MET CB C 33.461 0.100 1 473 153 51 MET CE C 17.786 0.100 1 474 153 51 MET CG C 32.226 0.100 1 475 153 51 MET N N 119.584 0.100 1 476 154 52 ILE H H 8.635 0.020 1 477 154 52 ILE HA H 4.532 0.020 1 478 154 52 ILE HB H 1.921 0.020 1 479 154 52 ILE HD1 H 0.902 0.020 1 480 154 52 ILE HG12 H 1.440 0.020 2 481 154 52 ILE HG13 H 1.270 0.020 2 482 154 52 ILE HG2 H 0.909 0.020 1 483 154 52 ILE CA C 59.434 0.100 1 484 154 52 ILE CB C 42.046 0.100 1 485 154 52 ILE CD1 C 14.278 0.100 1 486 154 52 ILE CG1 C 26.034 0.100 1 487 154 52 ILE CG2 C 18.711 0.100 1 488 154 52 ILE N N 122.889 0.100 1 489 155 53 ASP H H 8.043 0.020 1 490 155 53 ASP HA H 4.278 0.020 1 491 155 53 ASP HB2 H 2.092 0.020 2 492 155 53 ASP HB3 H 0.944 0.020 2 493 155 53 ASP CA C 55.472 0.100 1 494 155 53 ASP CB C 42.506 0.100 1 495 155 53 ASP N N 120.392 0.100 1 496 156 54 ARG H H 8.112 0.020 1 497 156 54 ARG HA H 4.341 0.020 1 498 156 54 ARG HB2 H 2.103 0.020 2 499 156 54 ARG HB3 H 1.742 0.020 2 500 156 54 ARG HD2 H 3.217 0.020 2 501 156 54 ARG HG2 H 1.769 0.020 2 502 156 54 ARG HG3 H 1.660 0.020 2 503 156 54 ARG CA C 55.036 0.100 1 504 156 54 ARG CB C 31.216 0.100 1 505 156 54 ARG CD C 44.013 0.100 1 506 156 54 ARG CG C 27.287 0.100 1 507 156 54 ARG N N 124.308 0.100 1 508 157 55 TRP H H 8.052 0.020 1 509 157 55 TRP HA H 5.298 0.020 1 510 157 55 TRP HB2 H 2.987 0.020 2 511 157 55 TRP HB3 H 2.849 0.020 2 512 157 55 TRP HD1 H 7.258 0.020 1 513 157 55 TRP HE1 H 10.126 0.020 1 514 157 55 TRP HE3 H 7.230 0.020 1 515 157 55 TRP HH2 H 6.873 0.020 1 516 157 55 TRP HZ2 H 7.277 0.020 1 517 157 55 TRP HZ3 H 6.785 0.020 1 518 157 55 TRP CA C 56.948 0.100 1 519 157 55 TRP CB C 32.523 0.100 1 520 157 55 TRP CD1 C 127.781 0.100 1 521 157 55 TRP CE3 C 119.727 0.100 1 522 157 55 TRP CH2 C 124.249 0.100 1 523 157 55 TRP CZ2 C 115.038 0.100 1 524 157 55 TRP CZ3 C 122.272 0.100 1 525 157 55 TRP N N 122.419 0.100 1 526 157 55 TRP NE1 N 129.638 0.100 1 527 158 56 TYR H H 9.857 0.020 1 528 158 56 TYR HA H 6.034 0.020 1 529 158 56 TYR HB2 H 3.428 0.020 2 530 158 56 TYR HB3 H 2.876 0.020 2 531 158 56 TYR HD1 H 7.153 0.020 1 532 158 56 TYR HD2 H 7.153 0.020 1 533 158 56 TYR HE1 H 6.466 0.020 1 534 158 56 TYR HE2 H 6.466 0.020 1 535 158 56 TYR CA C 56.799 0.100 1 536 158 56 TYR CB C 44.363 0.100 1 537 158 56 TYR CD1 C 133.002 0.100 1 538 158 56 TYR CD2 C 133.002 0.100 1 539 158 56 TYR CE1 C 118.005 0.100 1 540 158 56 TYR CE2 C 118.005 0.100 1 541 158 56 TYR N N 115.604 0.100 1 542 159 57 HIS H H 9.447 0.020 1 543 159 57 HIS HA H 5.038 0.020 1 544 159 57 HIS HB2 H 3.761 0.020 2 545 159 57 HIS HD2 H 7.807 0.020 1 546 159 57 HIS HE1 H 7.326 0.020 1 547 159 57 HIS CA C 57.620 0.100 1 548 159 57 HIS CB C 30.913 0.100 1 549 159 57 HIS CD2 C 119.654 0.100 1 550 159 57 HIS CE1 C 138.593 0.100 1 551 159 57 HIS N N 120.669 0.100 1 552 160 58 PRO HA H 4.143 0.020 1 553 160 58 PRO HB2 H 2.185 0.020 2 554 160 58 PRO HB3 H 2.132 0.020 2 555 160 58 PRO HD2 H 4.457 0.020 2 556 160 58 PRO HD3 H 4.126 0.020 2 557 160 58 PRO HG2 H 2.438 0.020 2 558 160 58 PRO HG3 H 1.741 0.020 2 559 160 58 PRO CA C 67.000 0.100 1 560 160 58 PRO CB C 32.006 0.100 1 561 160 58 PRO CD C 50.326 0.100 1 562 160 58 PRO CG C 28.645 0.100 1 563 161 59 GLY H H 9.321 0.020 1 564 161 59 GLY HA2 H 4.055 0.020 2 565 161 59 GLY HA3 H 3.863 0.020 2 566 161 59 GLY CA C 47.003 0.100 1 567 161 59 GLY N N 102.993 0.100 1 568 162 60 CYS H H 7.206 0.020 1 569 162 60 CYS HA H 4.272 0.020 1 570 162 60 CYS HB2 H 3.554 0.020 2 571 162 60 CYS HB3 H 3.197 0.020 2 572 162 60 CYS CA C 62.515 0.100 1 573 162 60 CYS CB C 30.369 0.100 1 574 162 60 CYS N N 122.482 0.100 1 575 163 61 PHE H H 8.685 0.020 1 576 163 61 PHE HA H 3.375 0.020 1 577 163 61 PHE HB2 H 3.425 0.020 2 578 163 61 PHE HB3 H 2.701 0.020 2 579 163 61 PHE HD1 H 6.501 0.020 1 580 163 61 PHE HD2 H 6.501 0.020 1 581 163 61 PHE HE1 H 6.410 0.020 1 582 163 61 PHE HE2 H 6.410 0.020 1 583 163 61 PHE CA C 61.167 0.100 1 584 163 61 PHE CB C 39.649 0.100 1 585 163 61 PHE CD1 C 132.570 0.100 1 586 163 61 PHE CD2 C 132.570 0.100 1 587 163 61 PHE CE1 C 129.423 0.100 1 588 163 61 PHE CE2 C 129.423 0.100 1 589 163 61 PHE N N 124.428 0.100 1 590 164 62 VAL H H 8.289 0.020 1 591 164 62 VAL HA H 3.365 0.020 1 592 164 62 VAL HB H 2.298 0.020 1 593 164 62 VAL HG1 H 1.178 0.020 2 594 164 62 VAL HG2 H 1.111 0.020 2 595 164 62 VAL CA C 67.182 0.100 1 596 164 62 VAL CB C 32.166 0.100 1 597 164 62 VAL CG1 C 23.308 0.100 2 598 164 62 VAL CG2 C 21.488 0.100 2 599 164 62 VAL N N 116.236 0.100 1 600 165 63 LYS H H 7.554 0.020 1 601 165 63 LYS HA H 4.141 0.020 1 602 165 63 LYS HB2 H 2.026 0.020 2 603 165 63 LYS HB3 H 1.985 0.020 2 604 165 63 LYS HE2 H 3.057 0.020 1 605 165 63 LYS HE3 H 3.057 0.020 1 606 165 63 LYS CA C 59.180 0.100 1 607 165 63 LYS CB C 32.742 0.100 1 608 165 63 LYS CD C 29.597 0.100 1 609 165 63 LYS CE C 42.288 0.100 1 610 165 63 LYS CG C 25.276 0.100 1 611 165 63 LYS N N 118.801 0.100 1 612 166 64 ASN H H 7.213 0.020 1 613 166 64 ASN HA H 5.103 0.020 1 614 166 64 ASN HB2 H 2.884 0.020 2 615 166 64 ASN HB3 H 2.150 0.020 2 616 166 64 ASN HD21 H 7.515 0.020 2 617 166 64 ASN HD22 H 7.489 0.020 2 618 166 64 ASN CA C 52.901 0.100 1 619 166 64 ASN CB C 39.746 0.100 1 620 166 64 ASN N N 115.911 0.100 1 621 166 64 ASN ND2 N 113.788 0.100 1 622 167 65 ARG H H 7.169 0.020 1 623 167 65 ARG HA H 3.346 0.020 1 624 167 65 ARG HB2 H 2.214 0.020 2 625 167 65 ARG HB3 H 1.877 0.020 2 626 167 65 ARG HD2 H 3.410 0.020 2 627 167 65 ARG HD3 H 3.312 0.020 2 628 167 65 ARG HE H 6.613 0.020 1 629 167 65 ARG HG2 H 2.046 0.020 2 630 167 65 ARG HG3 H 1.742 0.020 2 631 167 65 ARG CA C 61.077 0.100 1 632 167 65 ARG CB C 30.405 0.100 1 633 167 65 ARG CD C 44.782 0.100 1 634 167 65 ARG CG C 26.616 0.100 1 635 167 65 ARG N N 119.645 0.100 1 636 167 65 ARG NE N 119.847 0.100 1 637 168 66 GLU H H 8.480 0.020 1 638 168 66 GLU HA H 4.057 0.020 1 639 168 66 GLU HB2 H 2.004 0.020 2 640 168 66 GLU HG2 H 2.309 0.020 2 641 168 66 GLU HG3 H 2.246 0.020 2 642 168 66 GLU CA C 59.583 0.100 1 643 168 66 GLU CB C 29.099 0.100 1 644 168 66 GLU CG C 36.745 0.100 1 645 168 66 GLU N N 118.610 0.100 1 646 169 67 GLU H H 8.529 0.020 1 647 169 67 GLU HA H 4.018 0.020 1 648 169 67 GLU HB2 H 2.152 0.020 2 649 169 67 GLU HB3 H 2.014 0.020 2 650 169 67 GLU HG2 H 2.328 0.020 2 651 169 67 GLU CA C 59.215 0.100 1 652 169 67 GLU CB C 29.275 0.100 1 653 169 67 GLU CG C 36.759 0.100 1 654 169 67 GLU N N 123.592 0.100 1 655 170 68 LEU H H 7.861 0.020 1 656 170 68 LEU HA H 4.192 0.020 1 657 170 68 LEU HB2 H 1.442 0.020 2 658 170 68 LEU HB3 H 1.311 0.020 2 659 170 68 LEU HD1 H 0.744 0.020 2 660 170 68 LEU HD2 H -0.379 0.020 2 661 170 68 LEU HG H 1.433 0.020 1 662 170 68 LEU CA C 55.460 0.100 1 663 170 68 LEU CB C 43.086 0.100 1 664 170 68 LEU CD1 C 22.322 0.100 2 665 170 68 LEU CD2 C 25.092 0.100 2 666 170 68 LEU CG C 26.188 0.100 1 667 170 68 LEU N N 116.298 0.100 1 668 171 69 GLY H H 7.827 0.020 1 669 171 69 GLY HA2 H 4.303 0.020 2 670 171 69 GLY HA3 H 3.871 0.020 2 671 171 69 GLY CA C 45.778 0.100 1 672 171 69 GLY N N 107.199 0.100 1 673 172 70 PHE H H 8.166 0.020 1 674 172 70 PHE HA H 4.248 0.020 1 675 172 70 PHE HB2 H 3.054 0.020 2 676 172 70 PHE HB3 H 2.093 0.020 2 677 172 70 PHE HD1 H 6.116 0.020 1 678 172 70 PHE HD2 H 6.116 0.020 1 679 172 70 PHE HE1 H 6.722 0.020 1 680 172 70 PHE HE2 H 6.722 0.020 1 681 172 70 PHE CA C 58.151 0.100 1 682 172 70 PHE CB C 37.205 0.100 1 683 172 70 PHE CD1 C 131.548 0.100 1 684 172 70 PHE CD2 C 131.548 0.100 1 685 172 70 PHE CE1 C 131.884 0.100 1 686 172 70 PHE CE2 C 131.884 0.100 1 687 172 70 PHE N N 123.926 0.100 1 688 173 71 ARG H H 6.022 0.020 1 689 173 71 ARG HA H 3.944 0.020 1 690 173 71 ARG HB2 H 1.723 0.020 2 691 173 71 ARG HB3 H -0.151 0.020 2 692 173 71 ARG HD2 H 3.127 0.020 2 693 173 71 ARG HD3 H 2.921 0.020 2 694 173 71 ARG HG2 H 1.300 0.020 2 695 173 71 ARG CA C 55.661 0.100 1 696 173 71 ARG CB C 28.109 0.100 1 697 173 71 ARG CD C 42.814 0.100 1 698 173 71 ARG CG C 27.163 0.100 1 699 173 71 ARG N N 127.132 0.100 1 700 174 72 PRO HA H 4.200 0.020 1 701 174 72 PRO HB2 H 2.337 0.020 2 702 174 72 PRO HB3 H 1.831 0.020 2 703 174 72 PRO HD2 H 3.776 0.020 2 704 174 72 PRO HD3 H 3.521 0.020 2 705 174 72 PRO HG2 H 2.093 0.020 2 706 174 72 PRO HG3 H 1.988 0.020 2 707 174 72 PRO CA C 65.339 0.100 1 708 174 72 PRO CB C 31.992 0.100 1 709 174 72 PRO CD C 50.447 0.100 1 710 174 72 PRO CG C 27.665 0.100 1 711 175 73 GLU H H 9.048 0.020 1 712 175 73 GLU HA H 4.227 0.020 1 713 175 73 GLU HB2 H 1.974 0.020 2 714 175 73 GLU HG2 H 2.252 0.020 2 715 175 73 GLU HG3 H 2.055 0.020 2 716 175 73 GLU CA C 57.466 0.100 1 717 175 73 GLU CB C 28.495 0.100 1 718 175 73 GLU CG C 35.843 0.100 1 719 175 73 GLU N N 112.890 0.100 1 720 176 74 TYR H H 7.570 0.020 1 721 176 74 TYR HA H 4.996 0.020 1 722 176 74 TYR HB2 H 1.970 0.020 2 723 176 74 TYR HB3 H 1.887 0.020 2 724 176 74 TYR HD1 H 6.182 0.020 1 725 176 74 TYR HD2 H 6.182 0.020 1 726 176 74 TYR HE1 H 6.876 0.020 1 727 176 74 TYR HE2 H 6.876 0.020 1 728 176 74 TYR CA C 53.298 0.100 1 729 176 74 TYR CB C 37.092 0.100 1 730 176 74 TYR CD1 C 131.617 0.100 1 731 176 74 TYR CD2 C 131.617 0.100 1 732 176 74 TYR CE1 C 117.773 0.100 1 733 176 74 TYR CE2 C 117.773 0.100 1 734 176 74 TYR N N 122.849 0.100 1 735 177 75 SER H H 8.128 0.020 1 736 177 75 SER HA H 4.911 0.020 1 737 177 75 SER HB2 H 4.175 0.020 2 738 177 75 SER HB3 H 3.668 0.020 2 739 177 75 SER CA C 55.734 0.100 1 740 177 75 SER CB C 67.429 0.100 1 741 177 75 SER N N 112.179 0.100 1 742 178 76 ALA H H 8.471 0.020 1 743 178 76 ALA HA H 3.733 0.020 1 744 178 76 ALA HB H 1.261 0.020 1 745 178 76 ALA CA C 54.511 0.100 1 746 178 76 ALA CB C 19.986 0.100 1 747 178 76 ALA N N 122.371 0.100 1 748 179 77 SER H H 7.546 0.020 1 749 179 77 SER HA H 2.343 0.020 1 750 179 77 SER HB2 H 3.647 0.020 2 751 179 77 SER HB3 H 3.308 0.020 2 752 179 77 SER CA C 59.269 0.100 1 753 179 77 SER CB C 62.205 0.100 1 754 179 77 SER N N 106.807 0.100 1 755 180 78 GLN H H 7.658 0.020 1 756 180 78 GLN HA H 4.279 0.020 1 757 180 78 GLN HB2 H 2.366 0.020 2 758 180 78 GLN HB3 H 2.122 0.020 2 759 180 78 GLN HG2 H 2.203 0.020 2 760 180 78 GLN HG3 H 2.043 0.020 2 761 180 78 GLN CA C 56.445 0.100 1 762 180 78 GLN CB C 30.914 0.100 1 763 180 78 GLN CG C 36.602 0.100 1 764 180 78 GLN N N 118.692 0.100 1 765 180 78 GLN NE2 N 109.900 0.100 1 766 181 79 LEU H H 7.735 0.020 1 767 181 79 LEU HA H 4.127 0.020 1 768 181 79 LEU HB2 H 2.012 0.020 2 769 181 79 LEU HB3 H 1.118 0.020 2 770 181 79 LEU HD1 H 0.755 0.020 2 771 181 79 LEU HD2 H 0.582 0.020 2 772 181 79 LEU HG H 1.746 0.020 1 773 181 79 LEU CA C 55.628 0.100 1 774 181 79 LEU CB C 42.681 0.100 1 775 181 79 LEU CD1 C 26.730 0.100 2 776 181 79 LEU CD2 C 24.561 0.100 2 777 181 79 LEU CG C 27.119 0.100 1 778 181 79 LEU N N 119.828 0.100 1 779 182 80 LYS H H 9.128 0.020 1 780 182 80 LYS HA H 4.226 0.020 1 781 182 80 LYS HB2 H 2.184 0.020 2 782 182 80 LYS HB3 H 1.989 0.020 2 783 182 80 LYS HE2 H 3.089 0.020 1 784 182 80 LYS HE3 H 3.089 0.020 1 785 182 80 LYS HG2 H 1.720 0.020 2 786 182 80 LYS HG3 H 1.563 0.020 2 787 182 80 LYS CA C 59.038 0.100 1 788 182 80 LYS CB C 31.607 0.100 1 789 182 80 LYS CD C 29.652 0.100 1 790 182 80 LYS CE C 42.288 0.100 1 791 182 80 LYS CG C 25.060 0.100 1 792 182 80 LYS N N 128.704 0.100 1 793 183 81 GLY H H 9.040 0.020 1 794 183 81 GLY HA2 H 4.929 0.020 2 795 183 81 GLY HA3 H 3.789 0.020 2 796 183 81 GLY CA C 45.263 0.100 1 797 183 81 GLY N N 114.770 0.100 1 798 184 82 PHE H H 8.233 0.020 1 799 184 82 PHE HA H 3.769 0.020 1 800 184 82 PHE HB2 H 3.454 0.020 2 801 184 82 PHE HB3 H 3.113 0.020 2 802 184 82 PHE HD1 H 7.038 0.020 1 803 184 82 PHE HD2 H 7.038 0.020 1 804 184 82 PHE HE1 H 7.293 0.020 1 805 184 82 PHE HE2 H 7.293 0.020 1 806 184 82 PHE CA C 62.170 0.100 1 807 184 82 PHE CB C 40.480 0.100 1 808 184 82 PHE CD1 C 132.938 0.100 1 809 184 82 PHE CD2 C 132.938 0.100 1 810 184 82 PHE CE1 C 130.656 0.100 1 811 184 82 PHE CE2 C 130.656 0.100 1 812 184 82 PHE N N 123.285 0.100 1 813 185 83 SER H H 8.569 0.020 1 814 185 83 SER HA H 4.005 0.020 1 815 185 83 SER HB2 H 4.100 0.020 2 816 185 83 SER CA C 60.954 0.100 1 817 185 83 SER CB C 62.994 0.100 1 818 185 83 SER N N 108.097 0.100 1 819 186 84 LEU H H 7.416 0.020 1 820 186 84 LEU HA H 4.387 0.020 1 821 186 84 LEU HB2 H 1.813 0.020 2 822 186 84 LEU HB3 H 1.708 0.020 2 823 186 84 LEU HD1 H 1.057 0.020 2 824 186 84 LEU HD2 H 0.915 0.020 2 825 186 84 LEU HG H 1.704 0.020 1 826 186 84 LEU CA C 55.016 0.100 1 827 186 84 LEU CB C 42.098 0.100 1 828 186 84 LEU CD1 C 25.345 0.100 2 829 186 84 LEU CD2 C 22.526 0.100 2 830 186 84 LEU N N 119.911 0.100 1 831 187 85 LEU H H 7.313 0.020 1 832 187 85 LEU HA H 4.295 0.020 1 833 187 85 LEU HB2 H 1.577 0.020 2 834 187 85 LEU HB3 H 1.173 0.020 2 835 187 85 LEU HD1 H 0.407 0.020 2 836 187 85 LEU HD2 H 0.062 0.020 2 837 187 85 LEU HG H 1.602 0.020 1 838 187 85 LEU CA C 54.573 0.100 1 839 187 85 LEU CB C 42.114 0.100 1 840 187 85 LEU CD1 C 26.553 0.100 2 841 187 85 LEU CD2 C 21.903 0.100 2 842 187 85 LEU N N 119.489 0.100 1 843 188 86 ALA H H 8.878 0.020 1 844 188 86 ALA HA H 4.454 0.020 1 845 188 86 ALA HB H 1.643 0.020 1 846 188 86 ALA CA C 52.155 0.100 1 847 188 86 ALA CB C 19.109 0.100 1 848 188 86 ALA N N 122.655 0.100 1 849 189 87 THR H H 8.952 0.020 1 850 189 87 THR HA H 3.663 0.020 1 851 189 87 THR HB H 4.137 0.020 1 852 189 87 THR HG2 H 1.292 0.020 1 853 189 87 THR CA C 67.570 0.100 1 854 189 87 THR CB C 69.083 0.100 1 855 189 87 THR CG2 C 22.056 0.100 1 856 189 87 THR N N 119.412 0.100 1 857 190 88 GLU H H 9.687 0.020 1 858 190 88 GLU HA H 4.101 0.020 1 859 190 88 GLU HB2 H 2.031 0.020 2 860 190 88 GLU HG2 H 2.361 0.020 2 861 190 88 GLU CA C 60.099 0.100 1 862 190 88 GLU CB C 28.763 0.100 1 863 190 88 GLU CG C 36.366 0.100 1 864 190 88 GLU N N 118.660 0.100 1 865 191 89 ASP H H 7.133 0.020 1 866 191 89 ASP HA H 4.760 0.020 1 867 191 89 ASP HB2 H 2.729 0.020 2 868 191 89 ASP HB3 H 2.534 0.020 2 869 191 89 ASP CA C 57.468 0.100 1 870 191 89 ASP CB C 41.821 0.100 1 871 191 89 ASP N N 118.873 0.100 1 872 192 90 LYS H H 8.285 0.020 1 873 192 90 LYS HA H 3.612 0.020 1 874 192 90 LYS HB2 H 1.999 0.020 2 875 192 90 LYS HB3 H 1.551 0.020 2 876 192 90 LYS HD2 H 1.450 0.020 2 877 192 90 LYS HD3 H 1.299 0.020 2 878 192 90 LYS HE2 H 2.961 0.020 2 879 192 90 LYS HE3 H 2.734 0.020 2 880 192 90 LYS HG2 H 1.056 0.020 2 881 192 90 LYS HG3 H -0.102 0.020 2 882 192 90 LYS CA C 60.704 0.100 1 883 192 90 LYS CB C 33.029 0.100 1 884 192 90 LYS CD C 30.281 0.100 1 885 192 90 LYS CE C 42.096 0.100 1 886 192 90 LYS CG C 25.926 0.100 1 887 192 90 LYS N N 121.202 0.100 1 888 193 91 GLU H H 8.310 0.020 1 889 193 91 GLU HA H 3.992 0.020 1 890 193 91 GLU HB2 H 2.083 0.020 2 891 193 91 GLU HB3 H 2.042 0.020 2 892 193 91 GLU HG2 H 2.443 0.020 2 893 193 91 GLU CA C 59.149 0.100 1 894 193 91 GLU CB C 29.298 0.100 1 895 193 91 GLU CG C 36.352 0.100 1 896 193 91 GLU N N 116.094 0.100 1 897 194 92 ALA H H 7.637 0.020 1 898 194 92 ALA HA H 4.231 0.020 1 899 194 92 ALA HB H 1.635 0.020 1 900 194 92 ALA CA C 55.377 0.100 1 901 194 92 ALA CB C 18.346 0.100 1 902 194 92 ALA N N 121.498 0.100 1 903 195 93 LEU H H 8.176 0.020 1 904 195 93 LEU HA H 4.240 0.020 1 905 195 93 LEU HB2 H 2.101 0.020 2 906 195 93 LEU HB3 H 1.372 0.020 2 907 195 93 LEU HD1 H 0.813 0.020 2 908 195 93 LEU HD2 H 0.783 0.020 2 909 195 93 LEU HG H 1.930 0.020 1 910 195 93 LEU CA C 57.770 0.100 1 911 195 93 LEU CB C 42.563 0.100 1 912 195 93 LEU CD1 C 23.587 0.100 2 913 195 93 LEU CD2 C 26.094 0.100 2 914 195 93 LEU CG C 26.999 0.100 1 915 195 93 LEU N N 118.492 0.100 1 916 196 94 LYS H H 8.483 0.020 1 917 196 94 LYS HA H 3.896 0.020 1 918 196 94 LYS HB2 H 1.971 0.020 2 919 196 94 LYS HE2 H 3.032 0.020 1 920 196 94 LYS HE3 H 3.032 0.020 1 921 196 94 LYS HG2 H 1.933 0.020 2 922 196 94 LYS HG3 H 1.600 0.020 2 923 196 94 LYS CA C 60.045 0.100 1 924 196 94 LYS CB C 32.483 0.100 1 925 196 94 LYS CD C 29.871 0.100 1 926 196 94 LYS CE C 41.870 0.100 1 927 196 94 LYS CG C 26.189 0.100 1 928 196 94 LYS N N 119.102 0.100 1 929 197 95 LYS H H 7.365 0.020 1 930 197 95 LYS HA H 4.122 0.020 1 931 197 95 LYS HB2 H 1.971 0.020 2 932 197 95 LYS HE2 H 3.040 0.020 1 933 197 95 LYS HE3 H 3.040 0.020 1 934 197 95 LYS HG2 H 1.655 0.020 2 935 197 95 LYS HG3 H 1.508 0.020 2 936 197 95 LYS CA C 58.665 0.100 1 937 197 95 LYS CB C 32.742 0.100 1 938 197 95 LYS CE C 42.416 0.100 1 939 197 95 LYS CG C 25.609 0.100 1 940 197 95 LYS N N 115.715 0.100 1 941 198 96 GLN H H 7.400 0.020 1 942 198 96 GLN HA H 4.269 0.020 1 943 198 96 GLN HB2 H 2.164 0.020 2 944 198 96 GLN HB3 H 2.113 0.020 2 945 198 96 GLN HG2 H 2.642 0.020 2 946 198 96 GLN HG3 H 2.305 0.020 2 947 198 96 GLN CA C 57.778 0.100 1 948 198 96 GLN CB C 30.694 0.100 1 949 198 96 GLN CG C 33.166 0.100 1 950 198 96 GLN N N 116.179 0.100 1 951 198 96 GLN NE2 N 111.712 0.100 1 952 199 97 LEU H H 8.110 0.020 1 953 199 97 LEU HA H 4.850 0.020 1 954 199 97 LEU HB2 H 1.671 0.020 2 955 199 97 LEU HB3 H 1.498 0.020 2 956 199 97 LEU HD1 H 0.861 0.020 2 957 199 97 LEU HD2 H 0.480 0.020 2 958 199 97 LEU HG H 1.430 0.020 1 959 199 97 LEU CA C 51.772 0.100 1 960 199 97 LEU CB C 43.336 0.100 1 961 199 97 LEU CD1 C 23.978 0.100 2 962 199 97 LEU CD2 C 25.688 0.100 2 963 199 97 LEU N N 118.203 0.100 1 964 200 98 PRO HA H 4.867 0.020 1 965 200 98 PRO HB2 H 2.384 0.020 2 966 200 98 PRO HB3 H 2.072 0.020 2 967 200 98 PRO HD2 H 3.630 0.020 2 968 200 98 PRO HD3 H 3.426 0.020 2 969 200 98 PRO HG2 H 2.178 0.020 2 970 200 98 PRO HG3 H 2.001 0.020 2 971 200 98 PRO CA C 63.894 0.100 1 972 200 98 PRO CB C 32.904 0.100 1 973 200 98 PRO CD C 50.114 0.100 1 974 200 98 PRO CG C 26.817 0.100 1 975 201 99 GLY H H 8.491 0.020 1 976 201 99 GLY HA2 H 4.426 0.020 2 977 201 99 GLY HA3 H 3.533 0.020 2 978 201 99 GLY CA C 44.712 0.100 1 979 201 99 GLY N N 108.900 0.100 1 980 202 100 VAL H H 8.116 0.020 1 981 202 100 VAL HA H 4.204 0.020 1 982 202 100 VAL HB H 1.982 0.020 1 983 202 100 VAL HG1 H 0.898 0.020 2 984 202 100 VAL HG2 H 0.838 0.020 2 985 202 100 VAL CA C 61.823 0.100 1 986 202 100 VAL CB C 33.335 0.100 1 987 202 100 VAL CG1 C 20.665 0.100 2 988 202 100 VAL CG2 C 21.056 0.100 2 989 202 100 VAL N N 120.400 0.100 1 990 203 101 LYS H H 8.458 0.020 1 991 203 101 LYS HA H 4.410 0.020 1 992 203 101 LYS HB2 H 1.876 0.020 2 993 203 101 LYS HB3 H 1.790 0.020 2 994 203 101 LYS HG3 H 1.470 0.020 2 995 203 101 LYS CA C 56.111 0.100 1 996 203 101 LYS CB C 33.245 0.100 1 997 203 101 LYS CD C 29.324 0.100 1 998 203 101 LYS CE C 42.397 0.100 1 999 203 101 LYS CG C 24.893 0.100 1 1000 203 101 LYS N N 125.497 0.100 1 1001 204 102 SER H H 8.455 0.020 1 1002 204 102 SER HA H 4.475 0.020 1 1003 204 102 SER HB2 H 3.878 0.020 2 1004 204 102 SER CA C 58.257 0.100 1 1005 204 102 SER CB C 63.913 0.100 1 1006 204 102 SER N N 118.117 0.100 1 1007 205 103 GLU H H 8.592 0.020 1 1008 205 103 GLU HA H 4.359 0.020 1 1009 205 103 GLU HB2 H 2.114 0.020 2 1010 205 103 GLU HB3 H 1.979 0.020 2 1011 205 103 GLU HG2 H 2.443 0.020 2 1012 205 103 GLU CA C 56.838 0.100 1 1013 205 103 GLU CB C 30.446 0.100 1 1014 205 103 GLU CG C 36.380 0.100 1 1015 205 103 GLU N N 123.408 0.100 1 1016 206 104 GLY H H 8.450 0.020 1 1017 206 104 GLY HA2 H 3.979 0.020 2 1018 206 104 GLY HA3 H 3.966 0.020 2 1019 206 104 GLY CA C 45.363 0.100 1 1020 206 104 GLY N N 109.914 0.100 1 1021 207 105 LYS H H 8.199 0.020 1 1022 207 105 LYS HA H 4.365 0.020 1 1023 207 105 LYS HB2 H 1.879 0.020 2 1024 207 105 LYS HB3 H 1.800 0.020 2 1025 207 105 LYS CA C 56.240 0.100 1 1026 207 105 LYS CB C 33.181 0.100 1 1027 207 105 LYS N N 121.137 0.100 1 1028 208 106 ARG H H 8.479 0.020 1 1029 208 106 ARG HA H 4.308 0.020 1 1030 208 106 ARG HB2 H 2.054 0.020 2 1031 208 106 ARG HB3 H 1.903 0.020 2 1032 208 106 ARG CA C 56.382 0.100 1 1033 208 106 ARG CB C 30.586 0.100 1 1034 208 106 ARG N N 123.078 0.100 1 1035 209 107 LYS H H 8.410 0.020 1 1036 209 107 LYS HA H 4.342 0.020 1 1037 209 107 LYS HB2 H 1.882 0.020 2 1038 209 107 LYS HB3 H 1.820 0.020 2 1039 209 107 LYS CA C 56.692 0.100 1 1040 209 107 LYS CB C 33.018 0.100 1 1041 209 107 LYS N N 122.814 0.100 1 1042 210 108 GLY H H 8.629 0.020 1 1043 210 108 GLY HA2 H 4.067 0.020 2 1044 210 108 GLY HA3 H 3.982 0.020 2 1045 210 108 GLY CA C 45.470 0.100 1 1046 210 108 GLY N N 110.778 0.100 1 1047 211 109 ASP H H 8.256 0.020 1 1048 211 109 ASP HA H 4.646 0.020 1 1049 211 109 ASP HB2 H 2.741 0.020 2 1050 211 109 ASP HB3 H 2.677 0.020 2 1051 211 109 ASP CA C 54.289 0.100 1 1052 211 109 ASP CB C 41.169 0.100 1 1053 211 109 ASP N N 120.308 0.100 1 1054 212 110 GLU H H 8.466 0.020 1 1055 212 110 GLU HA H 4.345 0.020 1 1056 212 110 GLU HB2 H 2.126 0.020 2 1057 212 110 GLU HB3 H 1.988 0.020 2 1058 212 110 GLU HG2 H 2.274 0.020 2 1059 212 110 GLU CA C 56.860 0.100 1 1060 212 110 GLU CB C 30.080 0.100 1 1061 212 110 GLU CG C 36.380 0.100 1 1062 212 110 GLU N N 120.782 0.100 1 1063 213 111 VAL H H 8.141 0.020 1 1064 213 111 VAL HA H 4.216 0.020 1 1065 213 111 VAL HB H 2.167 0.020 1 1066 213 111 VAL HG1 H 0.968 0.020 2 1067 213 111 VAL HG2 H 0.927 0.020 2 1068 213 111 VAL CA C 61.994 0.100 1 1069 213 111 VAL CB C 33.211 0.100 1 1070 213 111 VAL CG1 C 21.393 0.100 2 1071 213 111 VAL CG2 C 20.071 0.100 2 1072 213 111 VAL N N 120.080 0.100 1 1073 214 112 ASP H H 8.015 0.020 1 1074 214 112 ASP HA H 4.404 0.020 1 1075 214 112 ASP HB2 H 2.696 0.020 2 1076 214 112 ASP HB3 H 2.588 0.020 2 1077 214 112 ASP CA C 56.017 0.100 1 1078 214 112 ASP CB C 42.439 0.100 1 1079 214 112 ASP N N 129.000 0.100 1 stop_ save_