data_7419 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF AMINO TERMINAL DOMAIN OF HUMAN DNA POLYMERASE EPSILON SUBUNIT B REVEALS ITS HOMOLOGY TO C-DOMAINS OF AAA PROTEINS. ; _BMRB_accession_number 7419 _BMRB_flat_file_name bmr7419.str _Entry_type new _Submission_date 2008-03-06 _Accession_date 2008-03-06 _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 Nuutinen T. . . 2 Fredriksson K. . . 3 Tossavainen H. . . 4 Pospiech H. . . 5 Pirila P. . . 6 Permi P. . . 7 Annila A. . . 8 Syvaoja J. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 530 "13C chemical shifts" 386 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-24 update BMRB 'update entity name' 2009-01-14 update BMRB 'add the residue sequence' 2008-08-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of the amino-terminal domain of human DNA polymerase epsilon subunit B is homologous to C-domains of AAA+ proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18676977 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nuutinen Tarmo . . 2 Tossavainen Helena . . 3 Fredriksson Kai . . 4 Pirila Paivi . . 5 Permi Perttu . . 6 Pospiech Helmut . . 7 Syvaoja Juhani E. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic Acids Research' _Journal_volume 36 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5102 _Page_last 5110 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name entity_1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AAA_protein $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 AAA_protein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; MGSSHHHHHHSQDPNSSSAR LQVDMAPERLRSRALSAFKL RGLLLRGEAIKYLTEALQSI SELELEDKLEKIINAVEKQP LSSNMIERSVVEAAVQESS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 GLN 13 ASP 14 PRO 15 ASN 16 SER 17 SER 18 SER 19 ALA 20 ARG 21 LEU 22 GLN 23 VAL 24 ASP 25 MET 26 ALA 27 PRO 28 GLU 29 ARG 30 LEU 31 ARG 32 SER 33 ARG 34 ALA 35 LEU 36 SER 37 ALA 38 PHE 39 LYS 40 LEU 41 ARG 42 GLY 43 LEU 44 LEU 45 LEU 46 ARG 47 GLY 48 GLU 49 ALA 50 ILE 51 LYS 52 TYR 53 LEU 54 THR 55 GLU 56 ALA 57 LEU 58 GLN 59 SER 60 ILE 61 SER 62 GLU 63 LEU 64 GLU 65 LEU 66 GLU 67 ASP 68 LYS 69 LEU 70 GLU 71 LYS 72 ILE 73 ILE 74 ASN 75 ALA 76 VAL 77 GLU 78 LYS 79 GLN 80 PRO 81 LEU 82 SER 83 SER 84 ASN 85 MET 86 ILE 87 GLU 88 ARG 89 SER 90 VAL 91 VAL 92 GLU 93 ALA 94 ALA 95 VAL 96 GLN 97 GLU 98 SER 99 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2V6Z "Solution Structure Of Amino Terminal Domain Of Human Dna Polymerase Epsilon Subunit B" 100.00 99 100.00 100.00 4.87e-62 DBJ BAG56707 "unnamed protein product [Homo sapiens]" 75.76 501 98.67 98.67 4.19e-38 DBJ BAJ21084 "polymerase (DNA directed), epsilon 2 [synthetic construct]" 75.76 527 98.67 98.67 3.40e-38 GB AAC39610 "DNA polymerase epsilon small subunit [Homo sapiens]" 75.76 527 98.67 98.67 3.40e-38 GB AAC51920 "DNA polymerase epsilon subunit B [Homo sapiens]" 75.76 526 97.33 97.33 2.54e-37 GB AAI12963 "POLE2 protein [Homo sapiens]" 75.76 502 98.67 98.67 4.56e-38 GB AAI26219 "Polymerase (DNA directed), epsilon 2 (p59 subunit) [Homo sapiens]" 75.76 527 98.67 98.67 3.40e-38 GB AAI26221 "Polymerase (DNA directed), epsilon 2 (p59 subunit) [Homo sapiens]" 75.76 527 98.67 98.67 3.40e-38 REF NP_001184259 "DNA polymerase epsilon subunit 2 isoform 2 [Homo sapiens]" 75.76 501 98.67 98.67 4.19e-38 REF NP_001184260 "DNA polymerase epsilon subunit 2 isoform 3 [Homo sapiens]" 75.76 502 98.67 98.67 4.56e-38 REF NP_002683 "DNA polymerase epsilon subunit 2 isoform 1 [Homo sapiens]" 75.76 527 98.67 98.67 3.40e-38 REF XP_003267698 "PREDICTED: DNA polymerase epsilon subunit 2 isoform 1 [Nomascus leucogenys]" 75.76 527 97.33 98.67 2.12e-37 REF XP_003267699 "PREDICTED: DNA polymerase epsilon subunit 2 isoform 2 [Nomascus leucogenys]" 75.76 501 97.33 98.67 2.35e-37 SP P56282 "RecName: Full=DNA polymerase epsilon subunit 2; AltName: Full=DNA polymerase II subunit 2; AltName: Full=DNA polymerase epsilon" 75.76 527 98.67 98.67 3.40e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details 93%WATER/7%D2O loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling entity_1 . mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 8 loop_ _Task 'structure solution' stop_ _Details . save_ save_PROCHECK-_NMR _Saveframe_category software _Name 'PROCHECK- NMR' _Version NMR loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITYINOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample save_ save_HNCOCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label $sample save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample save_ save_HCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label $sample save_ save_CCCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _Sample_label $sample save_ save_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample save_ save_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.62 . pH pressure 1.0 . atm temperature 298.0 . 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 . H 1 . ppm . . . . . . . C 13 . ppm . . . . . . . N 15 . ppm . . . . . . 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 HNCA HNCACB HNCOCACB HNCO HCCONH CCCONH HCCH-COSY NOESY-HSQC stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AAA_protein _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 11 11 SER HA H 4.41 0.02 1 2 11 11 SER HB2 H 3.87 0.02 1 3 11 11 SER HB3 H 3.87 0.02 1 4 11 11 SER C C 174.34 0.20 1 5 11 11 SER CA C 58.57 0.20 1 6 11 11 SER CB C 63.86 0.20 1 7 12 12 GLN H H 8.48 0.02 1 8 12 12 GLN HA H 4.38 0.02 1 9 12 12 GLN HB2 H 2.12 0.02 2 10 12 12 GLN HB3 H 2.02 0.02 2 11 12 12 GLN HG2 H 2.36 0.02 1 12 12 12 GLN HG3 H 2.36 0.02 1 13 12 12 GLN C C 175.35 0.20 1 14 12 12 GLN CA C 55.68 0.20 1 15 12 12 GLN CB C 29.56 0.20 1 16 12 12 GLN CG C 33.79 0.20 1 17 12 12 GLN N N 121.99 0.20 1 18 13 13 ASP H H 8.36 0.02 1 19 13 13 ASP HA H 4.85 0.02 1 20 13 13 ASP HB2 H 2.79 0.02 2 21 13 13 ASP HB3 H 2.60 0.02 2 22 13 13 ASP CA C 52.19 0.20 1 23 13 13 ASP CB C 41.31 0.20 1 24 13 13 ASP N N 123.31 0.20 1 25 14 14 PRO HA H 4.43 0.02 1 26 14 14 PRO HB2 H 2.31 0.02 2 27 14 14 PRO HB3 H 1.97 0.02 2 28 14 14 PRO HD2 H 3.86 0.02 1 29 14 14 PRO HD3 H 3.86 0.02 1 30 14 14 PRO HG2 H 2.01 0.02 1 31 14 14 PRO HG3 H 2.01 0.02 1 32 14 14 PRO C C 177.17 0.20 1 33 14 14 PRO CA C 63.86 0.20 1 34 14 14 PRO CB C 32.09 0.20 1 35 14 14 PRO CD C 50.91 0.20 1 36 14 14 PRO CG C 27.05 0.20 1 37 15 15 ASN H H 8.55 0.02 1 38 15 15 ASN HA H 4.75 0.02 1 39 15 15 ASN HB2 H 2.89 0.02 2 40 15 15 ASN HB3 H 2.80 0.02 2 41 15 15 ASN C C 175.58 0.20 1 42 15 15 ASN CA C 53.57 0.20 1 43 15 15 ASN CB C 38.83 0.20 1 44 15 15 ASN N N 117.35 0.20 1 45 16 16 SER H H 8.01 0.02 1 46 16 16 SER HA H 4.46 0.02 1 47 16 16 SER HB2 H 3.95 0.02 1 48 16 16 SER HB3 H 3.95 0.02 1 49 16 16 SER C C 174.96 0.20 1 50 16 16 SER CA C 58.77 0.20 1 51 16 16 SER CB C 63.85 0.20 1 52 16 16 SER N N 115.74 0.20 1 53 17 17 SER H H 8.39 0.02 1 54 17 17 SER HA H 4.50 0.02 1 55 17 17 SER HB2 H 3.97 0.02 2 56 17 17 SER HB3 H 3.93 0.02 2 57 17 17 SER C C 175.02 0.20 1 58 17 17 SER CA C 58.88 0.20 1 59 17 17 SER CB C 63.70 0.20 1 60 17 17 SER N N 117.89 0.20 1 61 18 18 SER H H 8.28 0.02 1 62 18 18 SER HA H 4.44 0.02 1 63 18 18 SER HB2 H 3.91 0.02 1 64 18 18 SER HB3 H 3.91 0.02 1 65 18 18 SER C C 174.53 0.20 1 66 18 18 SER CA C 58.81 0.20 1 67 18 18 SER CB C 63.67 0.20 1 68 18 18 SER N N 117.62 0.20 1 69 19 19 ALA H H 8.16 0.02 1 70 19 19 ALA HA H 4.32 0.02 1 71 19 19 ALA HB H 1.40 0.02 1 72 19 19 ALA C C 177.80 0.20 1 73 19 19 ALA CA C 52.93 0.20 1 74 19 19 ALA CB C 19.16 0.20 1 75 19 19 ALA N N 125.71 0.20 1 76 20 20 ARG H H 8.14 0.02 1 77 20 20 ARG HA H 4.32 0.02 1 78 20 20 ARG HB2 H 1.87 0.02 2 79 20 20 ARG HB3 H 1.79 0.02 2 80 20 20 ARG HD2 H 3.22 0.02 1 81 20 20 ARG HD3 H 3.22 0.02 1 82 20 20 ARG HG2 H 1.65 0.02 1 83 20 20 ARG HG3 H 1.65 0.02 1 84 20 20 ARG C C 176.26 0.20 1 85 20 20 ARG CA C 56.23 0.20 1 86 20 20 ARG CB C 30.71 0.20 1 87 20 20 ARG CD C 43.36 0.20 1 88 20 20 ARG CG C 27.11 0.20 1 89 20 20 ARG N N 119.69 0.20 1 90 21 21 LEU H H 8.18 0.02 1 91 21 21 LEU HA H 4.35 0.02 1 92 21 21 LEU HB2 H 1.67 0.02 2 93 21 21 LEU HB3 H 1.59 0.02 2 94 21 21 LEU HD1 H 0.94 0.02 2 95 21 21 LEU HD2 H 0.87 0.02 2 96 21 21 LEU HG H 1.63 0.02 1 97 21 21 LEU C C 177.17 0.20 1 98 21 21 LEU CA C 55.30 0.20 1 99 21 21 LEU CB C 42.44 0.20 1 100 21 21 LEU CD1 C 24.95 0.20 2 101 21 21 LEU CD2 C 23.57 0.20 2 102 21 21 LEU CG C 26.98 0.20 1 103 21 21 LEU N N 123.03 0.20 1 104 22 22 GLN H H 8.32 0.02 1 105 22 22 GLN HA H 4.38 0.02 1 106 22 22 GLN HB2 H 2.11 0.02 2 107 22 22 GLN HB3 H 1.96 0.02 2 108 22 22 GLN HG2 H 2.36 0.02 1 109 22 22 GLN HG3 H 2.36 0.02 1 110 22 22 GLN C C 175.75 0.20 1 111 22 22 GLN CA C 55.79 0.20 1 112 22 22 GLN CB C 29.44 0.20 1 113 22 22 GLN CG C 33.79 0.20 1 114 22 22 GLN N N 121.68 0.20 1 115 23 23 VAL H H 8.11 0.02 1 116 23 23 VAL HA H 4.17 0.02 1 117 23 23 VAL HB H 2.12 0.02 1 118 23 23 VAL HG1 H 0.94 0.02 1 119 23 23 VAL HG2 H 0.94 0.02 1 120 23 23 VAL C C 175.69 0.20 1 121 23 23 VAL CA C 62.14 0.20 1 122 23 23 VAL CB C 33.06 0.20 1 123 23 23 VAL CG1 C 20.30 0.20 2 124 23 23 VAL CG2 C 21.27 0.20 2 125 23 23 VAL N N 121.24 0.20 1 126 24 24 ASP H H 8.39 0.02 1 127 24 24 ASP HA H 4.64 0.02 1 128 24 24 ASP HB2 H 2.75 0.02 2 129 24 24 ASP HB3 H 2.61 0.02 2 130 24 24 ASP C C 176.32 0.20 1 131 24 24 ASP CA C 54.61 0.20 1 132 24 24 ASP CB C 41.34 0.20 1 133 24 24 ASP N N 124.01 0.20 1 134 25 25 MET H H 8.59 0.02 1 135 25 25 MET HA H 4.51 0.02 1 136 25 25 MET HB2 H 2.08 0.02 2 137 25 25 MET HB3 H 2.05 0.02 2 138 25 25 MET HE H 2.04 0.02 1 139 25 25 MET HG2 H 2.59 0.02 1 140 25 25 MET HG3 H 2.59 0.02 1 141 25 25 MET C C 175.68 0.20 1 142 25 25 MET CA C 55.08 0.20 1 143 25 25 MET CB C 33.29 0.20 1 144 25 25 MET CE C 16.83 0.20 1 145 25 25 MET CG C 32.19 0.20 1 146 25 25 MET N N 121.02 0.20 1 147 26 26 ALA H H 8.45 0.02 1 148 26 26 ALA HA H 4.53 0.02 1 149 26 26 ALA HB H 1.52 0.02 1 150 26 26 ALA CA C 51.87 0.20 1 151 26 26 ALA CB C 17.71 0.20 1 152 26 26 ALA N N 126.86 0.20 1 153 27 27 PRO HA H 4.26 0.02 1 154 27 27 PRO HB2 H 2.35 0.02 2 155 27 27 PRO HB3 H 1.96 0.02 2 156 27 27 PRO HD2 H 3.91 0.02 2 157 27 27 PRO HD3 H 3.81 0.02 2 158 27 27 PRO HG2 H 2.18 0.02 2 159 27 27 PRO HG3 H 2.07 0.02 2 160 27 27 PRO C C 178.45 0.20 1 161 27 27 PRO CA C 65.50 0.20 1 162 27 27 PRO CB C 31.74 0.20 1 163 27 27 PRO CD C 50.60 0.20 1 164 27 27 PRO CG C 27.83 0.20 1 165 28 28 GLU H H 8.85 0.02 1 166 28 28 GLU HA H 4.09 0.02 1 167 28 28 GLU HB2 H 2.07 0.02 1 168 28 28 GLU HB3 H 2.07 0.02 1 169 28 28 GLU HG2 H 2.35 0.02 1 170 28 28 GLU HG3 H 2.35 0.02 1 171 28 28 GLU C C 178.76 0.20 1 172 28 28 GLU CA C 59.20 0.20 1 173 28 28 GLU CB C 28.89 0.20 1 174 28 28 GLU CG C 36.18 0.20 1 175 28 28 GLU N N 117.17 0.20 1 176 29 29 ARG H H 7.65 0.02 1 177 29 29 ARG HA H 4.22 0.02 1 178 29 29 ARG HB2 H 1.98 0.02 1 179 29 29 ARG HB3 H 1.98 0.02 1 180 29 29 ARG HD2 H 3.29 0.02 1 181 29 29 ARG HD3 H 3.29 0.02 1 182 29 29 ARG HE H 7.64 0.02 1 183 29 29 ARG HG2 H 1.76 0.02 2 184 29 29 ARG HG3 H 1.65 0.02 2 185 29 29 ARG C C 178.13 0.20 1 186 29 29 ARG CA C 58.43 0.20 1 187 29 29 ARG CB C 30.14 0.20 1 188 29 29 ARG CD C 43.24 0.20 1 189 29 29 ARG CG C 27.52 0.20 1 190 29 29 ARG N N 120.69 0.20 1 191 30 30 LEU H H 7.90 0.02 1 192 30 30 LEU HA H 3.95 0.02 1 193 30 30 LEU HB2 H 1.74 0.02 2 194 30 30 LEU HB3 H 1.67 0.02 2 195 30 30 LEU HD1 H 0.91 0.02 1 196 30 30 LEU HD2 H 0.91 0.02 1 197 30 30 LEU HG H 1.57 0.02 1 198 30 30 LEU C C 177.97 0.20 1 199 30 30 LEU CA C 58.58 0.20 1 200 30 30 LEU CB C 42.15 0.20 1 201 30 30 LEU CD1 C 25.64 0.20 2 202 30 30 LEU CD2 C 25.00 0.20 2 203 30 30 LEU CG C 27.64 0.20 1 204 30 30 LEU N N 121.57 0.20 1 205 31 31 ARG H H 8.31 0.02 1 206 31 31 ARG HA H 3.72 0.02 1 207 31 31 ARG HB2 H 1.91 0.02 2 208 31 31 ARG HB3 H 1.85 0.02 2 209 31 31 ARG HD2 H 3.22 0.02 1 210 31 31 ARG HD3 H 3.22 0.02 1 211 31 31 ARG HE H 7.44 0.02 1 212 31 31 ARG HG2 H 1.50 0.02 2 213 31 31 ARG HG3 H 1.45 0.02 2 214 31 31 ARG C C 177.77 0.20 1 215 31 31 ARG CA C 60.04 0.20 1 216 31 31 ARG CB C 30.32 0.20 1 217 31 31 ARG CD C 43.38 0.20 1 218 31 31 ARG CG C 27.87 0.20 1 219 31 31 ARG N N 118.09 0.20 1 220 32 32 SER H H 7.85 0.02 1 221 32 32 SER HA H 4.20 0.02 1 222 32 32 SER HB2 H 4.04 0.02 1 223 32 32 SER HB3 H 4.04 0.02 1 224 32 32 SER C C 177.84 0.20 1 225 32 32 SER CA C 61.74 0.20 1 226 32 32 SER CB C 62.86 0.20 1 227 32 32 SER N N 112.20 0.20 1 228 33 33 ARG H H 8.33 0.02 1 229 33 33 ARG HA H 4.16 0.02 1 230 33 33 ARG HB2 H 2.01 0.02 2 231 33 33 ARG HB3 H 1.86 0.02 2 232 33 33 ARG HD2 H 3.25 0.02 2 233 33 33 ARG HD3 H 3.16 0.02 2 234 33 33 ARG HE H 7.75 0.02 1 235 33 33 ARG HG2 H 1.73 0.02 1 236 33 33 ARG HG3 H 1.73 0.02 1 237 33 33 ARG C C 179.08 0.20 1 238 33 33 ARG CA C 58.38 0.20 1 239 33 33 ARG CB C 29.73 0.20 1 240 33 33 ARG CD C 42.48 0.20 1 241 33 33 ARG CG C 26.98 0.20 1 242 33 33 ARG N N 122.09 0.20 1 243 34 34 ALA H H 8.59 0.02 1 244 34 34 ALA HA H 4.23 0.02 1 245 34 34 ALA HB H 1.35 0.02 1 246 34 34 ALA C C 178.95 0.20 1 247 34 34 ALA CA C 55.59 0.20 1 248 34 34 ALA CB C 17.61 0.20 1 249 34 34 ALA N N 122.02 0.20 1 250 35 35 LEU H H 8.51 0.02 1 251 35 35 LEU HA H 3.99 0.02 1 252 35 35 LEU HB2 H 1.97 0.02 2 253 35 35 LEU HB3 H 1.61 0.02 2 254 35 35 LEU HD1 H 0.95 0.02 1 255 35 35 LEU HD2 H 0.95 0.02 1 256 35 35 LEU HG H 1.77 0.02 1 257 35 35 LEU C C 180.66 0.20 1 258 35 35 LEU CA C 58.92 0.20 1 259 35 35 LEU CB C 42.16 0.20 1 260 35 35 LEU CD1 C 25.75 0.20 2 261 35 35 LEU CD2 C 23.91 0.20 2 262 35 35 LEU CG C 27.29 0.20 1 263 35 35 LEU N N 117.08 0.20 1 264 36 36 SER H H 8.26 0.02 1 265 36 36 SER HA H 4.23 0.02 1 266 36 36 SER HB2 H 4.06 0.02 2 267 36 36 SER HB3 H 4.01 0.02 2 268 36 36 SER C C 176.13 0.20 1 269 36 36 SER CA C 61.80 0.20 1 270 36 36 SER CB C 62.91 0.20 1 271 36 36 SER N N 114.28 0.20 1 272 37 37 ALA H H 8.19 0.02 1 273 37 37 ALA HA H 4.17 0.02 1 274 37 37 ALA HB H 1.52 0.02 1 275 37 37 ALA C C 180.65 0.20 1 276 37 37 ALA CA C 55.41 0.20 1 277 37 37 ALA CB C 18.93 0.20 1 278 37 37 ALA N N 123.91 0.20 1 279 38 38 PHE H H 8.04 0.02 1 280 38 38 PHE HA H 3.93 0.02 1 281 38 38 PHE HB2 H 3.10 0.02 2 282 38 38 PHE HB3 H 3.02 0.02 2 283 38 38 PHE HD1 H 7.51 0.02 1 284 38 38 PHE HD2 H 7.51 0.02 1 285 38 38 PHE HE1 H 6.99 0.02 1 286 38 38 PHE HE2 H 6.99 0.02 1 287 38 38 PHE HZ H 6.92 0.02 1 288 38 38 PHE C C 178.34 0.20 1 289 38 38 PHE CA C 62.98 0.20 1 290 38 38 PHE CB C 37.88 0.20 1 291 38 38 PHE CD1 C 132.28 0.20 1 292 38 38 PHE CD2 C 132.28 0.20 1 293 38 38 PHE CE1 C 130.40 0.20 1 294 38 38 PHE CE2 C 130.40 0.20 1 295 38 38 PHE CZ C 128.40 0.20 1 296 38 38 PHE N N 116.09 0.20 1 297 39 39 LYS H H 8.46 0.02 1 298 39 39 LYS HA H 4.28 0.02 1 299 39 39 LYS HB2 H 2.08 0.02 1 300 39 39 LYS HB3 H 2.08 0.02 1 301 39 39 LYS HD2 H 1.74 0.02 2 302 39 39 LYS HD3 H 1.69 0.02 2 303 39 39 LYS HE2 H 2.98 0.02 1 304 39 39 LYS HE3 H 2.98 0.02 1 305 39 39 LYS HG2 H 1.53 0.02 1 306 39 39 LYS HG3 H 1.53 0.02 1 307 39 39 LYS C C 181.15 0.20 1 308 39 39 LYS CA C 59.93 0.20 1 309 39 39 LYS CB C 32.34 0.20 1 310 39 39 LYS CD C 29.32 0.20 1 311 39 39 LYS CG C 25.27 0.20 1 312 39 39 LYS N N 121.89 0.20 1 313 40 40 LEU H H 8.29 0.02 1 314 40 40 LEU HA H 4.19 0.02 1 315 40 40 LEU HB2 H 1.87 0.02 2 316 40 40 LEU HB3 H 1.67 0.02 2 317 40 40 LEU HD1 H 0.95 0.02 1 318 40 40 LEU HD2 H 0.95 0.02 1 319 40 40 LEU HG H 1.87 0.02 1 320 40 40 LEU C C 178.62 0.20 1 321 40 40 LEU CA C 57.67 0.20 1 322 40 40 LEU CB C 42.05 0.20 1 323 40 40 LEU CD1 C 24.82 0.20 2 324 40 40 LEU CD2 C 23.58 0.20 2 325 40 40 LEU CG C 27.12 0.20 1 326 40 40 LEU N N 121.68 0.20 1 327 41 41 ARG H H 7.22 0.02 1 328 41 41 ARG HA H 4.47 0.02 1 329 41 41 ARG HB2 H 2.24 0.02 2 330 41 41 ARG HB3 H 1.67 0.02 2 331 41 41 ARG HD2 H 3.18 0.02 2 332 41 41 ARG HD3 H 3.13 0.02 2 333 41 41 ARG HE H 7.92 0.02 1 334 41 41 ARG HG2 H 1.67 0.02 2 335 41 41 ARG HG3 H 1.63 0.02 2 336 41 41 ARG C C 175.75 0.20 1 337 41 41 ARG CA C 54.45 0.20 1 338 41 41 ARG CB C 29.73 0.20 1 339 41 41 ARG CD C 42.19 0.20 1 340 41 41 ARG CG C 27.11 0.20 1 341 41 41 ARG N N 116.53 0.20 1 342 42 42 GLY H H 8.21 0.02 1 343 42 42 GLY HA2 H 4.16 0.02 2 344 42 42 GLY HA3 H 3.83 0.02 2 345 42 42 GLY C C 174.16 0.20 1 346 42 42 GLY CA C 45.73 0.20 1 347 42 42 GLY N N 107.97 0.20 1 348 43 43 LEU H H 7.96 0.02 1 349 43 43 LEU HA H 4.97 0.02 1 350 43 43 LEU HB2 H 2.04 0.02 2 351 43 43 LEU HB3 H 1.43 0.02 2 352 43 43 LEU HD1 H 0.91 0.02 1 353 43 43 LEU HD2 H 0.91 0.02 1 354 43 43 LEU HG H 1.64 0.02 1 355 43 43 LEU C C 174.87 0.20 1 356 43 43 LEU CA C 53.77 0.20 1 357 43 43 LEU CB C 45.04 0.20 1 358 43 43 LEU CD1 C 25.97 0.20 2 359 43 43 LEU CD2 C 22.37 0.20 2 360 43 43 LEU CG C 26.46 0.20 1 361 43 43 LEU N N 120.33 0.20 1 362 44 44 LEU H H 8.82 0.02 1 363 44 44 LEU HA H 4.60 0.02 1 364 44 44 LEU HB2 H 1.73 0.02 2 365 44 44 LEU HB3 H 1.45 0.02 2 366 44 44 LEU HD1 H 0.88 0.02 1 367 44 44 LEU HD2 H 0.88 0.02 1 368 44 44 LEU HG H 1.55 0.02 1 369 44 44 LEU C C 175.47 0.20 1 370 44 44 LEU CA C 53.04 0.20 1 371 44 44 LEU CB C 44.14 0.20 1 372 44 44 LEU CD1 C 25.36 0.20 2 373 44 44 LEU CD2 C 23.34 0.20 2 374 44 44 LEU CG C 27.21 0.20 1 375 44 44 LEU N N 122.82 0.20 1 376 45 45 LEU H H 8.16 0.02 1 377 45 45 LEU HA H 4.51 0.02 1 378 45 45 LEU HB2 H 1.41 0.02 2 379 45 45 LEU HB3 H 1.21 0.02 2 380 45 45 LEU HD1 H 0.17 0.02 2 381 45 45 LEU HD2 H 0.01 0.02 2 382 45 45 LEU HG H 1.01 0.02 1 383 45 45 LEU C C 177.03 0.20 1 384 45 45 LEU CA C 54.25 0.20 1 385 45 45 LEU CB C 44.44 0.20 1 386 45 45 LEU CD1 C 25.73 0.20 2 387 45 45 LEU CD2 C 24.31 0.20 2 388 45 45 LEU CG C 27.25 0.20 1 389 45 45 LEU N N 121.20 0.20 1 390 46 46 ARG H H 8.06 0.02 1 391 46 46 ARG HA H 4.29 0.02 1 392 46 46 ARG HB2 H 2.25 0.02 2 393 46 46 ARG HB3 H 1.87 0.02 2 394 46 46 ARG HD2 H 3.37 0.02 2 395 46 46 ARG HD3 H 3.23 0.02 2 396 46 46 ARG HG2 H 1.77 0.02 2 397 46 46 ARG HG3 H 1.61 0.02 2 398 46 46 ARG C C 178.42 0.20 1 399 46 46 ARG CA C 55.36 0.20 1 400 46 46 ARG CB C 31.10 0.20 1 401 46 46 ARG CD C 43.04 0.20 1 402 46 46 ARG CG C 27.30 0.20 1 403 46 46 ARG N N 121.47 0.20 1 404 47 47 GLY H H 9.23 0.02 1 405 47 47 GLY HA2 H 4.11 0.02 2 406 47 47 GLY HA3 H 3.77 0.02 2 407 47 47 GLY C C 177.31 0.20 1 408 47 47 GLY CA C 48.14 0.20 1 409 47 47 GLY N N 113.01 0.20 1 410 48 48 GLU H H 9.35 0.02 1 411 48 48 GLU HA H 4.17 0.02 1 412 48 48 GLU HB2 H 2.14 0.02 1 413 48 48 GLU HB3 H 2.14 0.02 1 414 48 48 GLU HG2 H 2.45 0.02 1 415 48 48 GLU HG3 H 2.45 0.02 1 416 48 48 GLU C C 179.25 0.20 1 417 48 48 GLU CA C 59.02 0.20 1 418 48 48 GLU CB C 29.46 0.20 1 419 48 48 GLU CG C 36.46 0.20 1 420 48 48 GLU N N 119.36 0.20 1 421 49 49 ALA H H 7.50 0.02 1 422 49 49 ALA HA H 4.03 0.02 1 423 49 49 ALA HB H 1.43 0.02 1 424 49 49 ALA C C 178.35 0.20 1 425 49 49 ALA CA C 55.32 0.20 1 426 49 49 ALA CB C 19.21 0.20 1 427 49 49 ALA N N 122.12 0.20 1 428 50 50 ILE H H 8.01 0.02 1 429 50 50 ILE HA H 4.00 0.02 1 430 50 50 ILE HB H 1.80 0.02 1 431 50 50 ILE HD1 H 0.96 0.02 1 432 50 50 ILE HG12 H 1.39 0.02 2 433 50 50 ILE HG13 H 1.11 0.02 2 434 50 50 ILE HG2 H 1.08 0.02 1 435 50 50 ILE C C 177.22 0.20 1 436 50 50 ILE CA C 62.36 0.20 1 437 50 50 ILE CB C 37.74 0.20 1 438 50 50 ILE CD1 C 14.30 0.20 1 439 50 50 ILE CG1 C 30.52 0.20 1 440 50 50 ILE CG2 C 18.62 0.20 1 441 50 50 ILE N N 116.37 0.20 1 442 51 51 LYS H H 7.74 0.02 1 443 51 51 LYS HA H 4.03 0.02 1 444 51 51 LYS HB2 H 1.92 0.02 2 445 51 51 LYS HB3 H 1.87 0.02 2 446 51 51 LYS HD2 H 1.70 0.02 1 447 51 51 LYS HD3 H 1.70 0.02 1 448 51 51 LYS HE2 H 2.98 0.02 1 449 51 51 LYS HE3 H 2.98 0.02 1 450 51 51 LYS HG2 H 1.49 0.02 2 451 51 51 LYS HG3 H 1.39 0.02 2 452 51 51 LYS C C 178.12 0.20 1 453 51 51 LYS CA C 60.04 0.20 1 454 51 51 LYS CB C 32.61 0.20 1 455 51 51 LYS CD C 29.40 0.20 1 456 51 51 LYS CE C 42.10 0.20 1 457 51 51 LYS CG C 24.82 0.20 1 458 51 51 LYS N N 124.35 0.20 1 459 52 52 TYR H H 7.43 0.02 1 460 52 52 TYR HA H 4.17 0.02 1 461 52 52 TYR HB2 H 3.13 0.02 2 462 52 52 TYR HB3 H 2.94 0.02 2 463 52 52 TYR HD1 H 6.93 0.02 1 464 52 52 TYR HD2 H 6.93 0.02 1 465 52 52 TYR HE1 H 6.63 0.02 1 466 52 52 TYR HE2 H 6.63 0.02 1 467 52 52 TYR C C 176.93 0.20 1 468 52 52 TYR CA C 61.30 0.20 1 469 52 52 TYR CB C 38.55 0.20 1 470 52 52 TYR CD1 C 132.74 0.20 1 471 52 52 TYR CD2 C 132.74 0.20 1 472 52 52 TYR CE1 C 118.05 0.20 1 473 52 52 TYR CE2 C 118.05 0.20 1 474 52 52 TYR N N 117.72 0.20 1 475 53 53 LEU H H 8.21 0.02 1 476 53 53 LEU HA H 3.63 0.02 1 477 53 53 LEU HB2 H 1.69 0.02 2 478 53 53 LEU HB3 H 1.60 0.02 2 479 53 53 LEU HD1 H 0.81 0.02 1 480 53 53 LEU HD2 H 0.81 0.02 1 481 53 53 LEU HG H 1.64 0.02 1 482 53 53 LEU C C 177.67 0.20 1 483 53 53 LEU CA C 57.93 0.20 1 484 53 53 LEU CB C 42.46 0.20 1 485 53 53 LEU CD1 C 26.19 0.20 2 486 53 53 LEU CD2 C 25.09 0.20 2 487 53 53 LEU CG C 26.86 0.20 1 488 53 53 LEU N N 119.01 0.20 1 489 54 54 THR H H 8.19 0.02 1 490 54 54 THR HA H 3.65 0.02 1 491 54 54 THR HB H 4.25 0.02 1 492 54 54 THR HG2 H 1.18 0.02 1 493 54 54 THR C C 175.98 0.20 1 494 54 54 THR CA C 66.64 0.20 1 495 54 54 THR CB C 68.34 0.20 1 496 54 54 THR CG2 C 21.56 0.20 1 497 54 54 THR N N 110.87 0.20 1 498 55 55 GLU H H 7.28 0.02 1 499 55 55 GLU HA H 4.09 0.02 1 500 55 55 GLU HB2 H 2.05 0.02 2 501 55 55 GLU HB3 H 1.93 0.02 2 502 55 55 GLU HG2 H 2.38 0.02 2 503 55 55 GLU HG3 H 2.15 0.02 2 504 55 55 GLU C C 179.40 0.20 1 505 55 55 GLU CA C 58.88 0.20 1 506 55 55 GLU CB C 29.32 0.20 1 507 55 55 GLU CG C 36.35 0.20 1 508 55 55 GLU N N 120.39 0.20 1 509 56 56 ALA H H 8.36 0.02 1 510 56 56 ALA HA H 4.00 0.02 1 511 56 56 ALA HB H 1.09 0.02 1 512 56 56 ALA CA C 54.54 0.20 1 513 56 56 ALA CB C 17.85 0.20 1 514 56 56 ALA N N 122.11 0.20 1 515 57 57 LEU H H 7.75 0.02 1 516 57 57 LEU HA H 4.38 0.02 1 517 57 57 LEU HB2 H 1.74 0.02 2 518 57 57 LEU HB3 H 1.67 0.02 2 519 57 57 LEU HD1 H 0.73 0.02 2 520 57 57 LEU HD2 H 0.70 0.02 2 521 57 57 LEU HG H 1.86 0.02 1 522 57 57 LEU C C 176.85 0.20 1 523 57 57 LEU CA C 54.44 0.20 1 524 57 57 LEU CB C 41.76 0.20 1 525 57 57 LEU CD1 C 25.94 0.20 2 526 57 57 LEU CD2 C 21.94 0.20 2 527 57 57 LEU CG C 26.59 0.20 1 528 57 57 LEU N N 114.92 0.20 1 529 58 58 GLN H H 7.13 0.02 1 530 58 58 GLN HA H 3.97 0.02 1 531 58 58 GLN HB2 H 2.24 0.02 2 532 58 58 GLN HB3 H 2.181 0.02 2 533 58 58 GLN HE21 H 7.534 0.02 2 534 58 58 GLN HE22 H 6.854 0.02 2 535 58 58 GLN HG2 H 2.48 0.02 1 536 58 58 GLN HG3 H 2.48 0.02 1 537 58 58 GLN C C 176.51 0.20 1 538 58 58 GLN CA C 58.73 0.20 1 539 58 58 GLN CB C 29.10 0.20 1 540 58 58 GLN CG C 33.75 0.20 1 541 58 58 GLN N N 117.38 0.20 1 542 58 58 GLN NE2 N 111.60 0.20 1 543 59 59 SER H H 8.14 0.02 1 544 59 59 SER HA H 4.53 0.02 1 545 59 59 SER HB2 H 3.96 0.02 1 546 59 59 SER HB3 H 3.96 0.02 1 547 59 59 SER C C 174.02 0.20 1 548 59 59 SER CA C 58.39 0.20 1 549 59 59 SER CB C 63.41 0.20 1 550 59 59 SER N N 112.25 0.20 1 551 60 60 ILE H H 7.52 0.02 1 552 60 60 ILE HA H 4.24 0.02 1 553 60 60 ILE HB H 2.03 0.02 1 554 60 60 ILE HD1 H 0.83 0.02 1 555 60 60 ILE HG12 H 1.49 0.02 2 556 60 60 ILE HG13 H 1.45 0.02 2 557 60 60 ILE HG2 H 0.96 0.02 1 558 60 60 ILE C C 175.06 0.20 1 559 60 60 ILE CA C 59.84 0.20 1 560 60 60 ILE CB C 37.96 0.20 1 561 60 60 ILE CD1 C 12.66 0.20 1 562 60 60 ILE CG1 C 27.83 0.20 1 563 60 60 ILE CG2 C 17.89 0.20 1 564 60 60 ILE N N 122.54 0.20 1 565 61 61 SER H H 8.54 0.02 1 566 61 61 SER HA H 4.51 0.02 1 567 61 61 SER HB2 H 4.22 0.02 2 568 61 61 SER HB3 H 3.91 0.02 2 569 61 61 SER C C 175.98 0.20 1 570 61 61 SER CA C 57.85 0.20 1 571 61 61 SER CB C 64.60 0.20 1 572 61 61 SER N N 120.71 0.20 1 573 62 62 GLU H H 9.13 0.02 1 574 62 62 GLU HA H 4.03 0.02 1 575 62 62 GLU HB2 H 2.16 0.02 2 576 62 62 GLU HB3 H 2.08 0.02 2 577 62 62 GLU HG2 H 2.36 0.02 1 578 62 62 GLU HG3 H 2.36 0.02 1 579 62 62 GLU C C 178.49 0.20 1 580 62 62 GLU CA C 60.00 0.20 1 581 62 62 GLU CB C 29.54 0.20 1 582 62 62 GLU CG C 36.20 0.20 1 583 62 62 GLU N N 124.48 0.20 1 584 63 63 LEU H H 7.98 0.02 1 585 63 63 LEU HA H 4.20 0.02 1 586 63 63 LEU HB2 H 1.72 0.02 2 587 63 63 LEU HB3 H 1.65 0.02 2 588 63 63 LEU HD1 H 0.95 0.02 2 589 63 63 LEU HD2 H 0.92 0.02 2 590 63 63 LEU HG H 1.72 0.02 1 591 63 63 LEU C C 178.48 0.20 1 592 63 63 LEU CA C 57.07 0.20 1 593 63 63 LEU CB C 42.01 0.20 1 594 63 63 LEU CD1 C 24.91 0.20 2 595 63 63 LEU CD2 C 23.45 0.20 2 596 63 63 LEU CG C 27.22 0.20 1 597 63 63 LEU N N 116.90 0.20 1 598 64 64 GLU H H 7.61 0.02 1 599 64 64 GLU HA H 4.49 0.02 1 600 64 64 GLU HB2 H 2.21 0.02 2 601 64 64 GLU HB3 H 2.04 0.02 2 602 64 64 GLU HG2 H 2.33 0.02 2 603 64 64 GLU HG3 H 2.25 0.02 2 604 64 64 GLU C C 177.25 0.20 1 605 64 64 GLU CA C 56.42 0.20 1 606 64 64 GLU CB C 31.45 0.20 1 607 64 64 GLU CG C 36.91 0.20 1 608 64 64 GLU N N 117.18 0.20 1 609 65 65 LEU H H 7.50 0.02 1 610 65 65 LEU HA H 3.90 0.02 1 611 65 65 LEU HB2 H 1.82 0.02 2 612 65 65 LEU HB3 H 1.65 0.02 2 613 65 65 LEU HD1 H 0.91 0.02 1 614 65 65 LEU HD2 H 0.91 0.02 1 615 65 65 LEU HG H 1.57 0.02 1 616 65 65 LEU C C 177.29 0.20 1 617 65 65 LEU CA C 59.10 0.20 1 618 65 65 LEU CB C 42.08 0.20 1 619 65 65 LEU CD1 C 25.86 0.20 2 620 65 65 LEU CD2 C 24.33 0.20 2 621 65 65 LEU N N 121.14 0.20 1 622 66 66 GLU H H 8.56 0.02 1 623 66 66 GLU HA H 3.88 0.02 1 624 66 66 GLU HB2 H 2.08 0.02 2 625 66 66 GLU HB3 H 2.00 0.02 2 626 66 66 GLU HG2 H 2.37 0.02 2 627 66 66 GLU HG3 H 2.29 0.02 2 628 66 66 GLU C C 179.23 0.20 1 629 66 66 GLU CA C 60.32 0.20 1 630 66 66 GLU CB C 28.80 0.20 1 631 66 66 GLU CG C 36.30 0.20 1 632 66 66 GLU N N 117.72 0.20 1 633 67 67 ASP H H 8.26 0.02 1 634 67 67 ASP HA H 4.42 0.02 1 635 67 67 ASP HB2 H 2.73 0.02 2 636 67 67 ASP HB3 H 2.65 0.02 2 637 67 67 ASP C C 178.25 0.20 1 638 67 67 ASP CA C 57.24 0.20 1 639 67 67 ASP CB C 41.48 0.20 1 640 67 67 ASP N N 119.54 0.20 1 641 68 68 LYS H H 8.11 0.02 1 642 68 68 LYS HA H 4.10 0.02 1 643 68 68 LYS HB2 H 1.99 0.02 2 644 68 68 LYS HB3 H 1.92 0.02 2 645 68 68 LYS HD2 H 1.77 0.02 2 646 68 68 LYS HD3 H 1.73 0.02 2 647 68 68 LYS HE2 H 2.86 0.02 2 648 68 68 LYS HE3 H 2.96 0.02 2 649 68 68 LYS HG2 H 1.50 0.02 1 650 68 68 LYS HG3 H 1.50 0.02 1 651 68 68 LYS C C 178.95 0.20 1 652 68 68 LYS CA C 58.51 0.20 1 653 68 68 LYS CB C 31.77 0.20 1 654 68 68 LYS CD C 28.27 0.20 1 655 68 68 LYS CE C 42.01 0.20 1 656 68 68 LYS CG C 24.69 0.20 1 657 68 68 LYS N N 119.54 0.20 1 658 69 69 LEU H H 8.78 0.02 1 659 69 69 LEU HA H 3.95 0.02 1 660 69 69 LEU HB2 H 1.97 0.02 2 661 69 69 LEU HB3 H 1.31 0.02 2 662 69 69 LEU HD1 H 0.82 0.02 2 663 69 69 LEU HD2 H 0.89 0.02 2 664 69 69 LEU HG H 1.75 0.02 1 665 69 69 LEU C C 177.87 0.20 1 666 69 69 LEU CA C 58.39 0.20 1 667 69 69 LEU CB C 41.67 0.20 1 668 69 69 LEU CD1 C 24.99 0.20 2 669 69 69 LEU CD2 C 23.61 0.20 2 670 69 69 LEU CG C 27.22 0.20 1 671 69 69 LEU N N 118.16 0.20 1 672 70 70 GLU H H 7.80 0.02 1 673 70 70 GLU HA H 3.84 0.02 1 674 70 70 GLU HB2 H 2.14 0.02 1 675 70 70 GLU HB3 H 2.14 0.02 1 676 70 70 GLU HG2 H 2.26 0.02 1 677 70 70 GLU HG3 H 2.26 0.02 1 678 70 70 GLU C C 178.38 0.20 1 679 70 70 GLU CA C 59.72 0.20 1 680 70 70 GLU CB C 29.22 0.20 1 681 70 70 GLU CG C 35.67 0.20 1 682 70 70 GLU N N 118.44 0.20 1 683 71 71 LYS H H 7.75 0.02 1 684 71 71 LYS HA H 4.01 0.02 1 685 71 71 LYS HB2 H 2.07 0.02 2 686 71 71 LYS HB3 H 1.95 0.02 2 687 71 71 LYS HD2 H 1.74 0.02 2 688 71 71 LYS HD3 H 1.67 0.02 2 689 71 71 LYS HE2 H 3.04 0.02 1 690 71 71 LYS HE3 H 3.04 0.02 1 691 71 71 LYS HG2 H 1.74 0.02 2 692 71 71 LYS HG3 H 1.54 0.02 2 693 71 71 LYS C C 180.19 0.20 1 694 71 71 LYS CA C 59.95 0.20 1 695 71 71 LYS CB C 32.78 0.20 1 696 71 71 LYS CD C 29.48 0.20 1 697 71 71 LYS CE C 42.25 0.20 1 698 71 71 LYS CG C 26.03 0.20 1 699 71 71 LYS N N 118.09 0.20 1 700 72 72 ILE H H 8.39 0.02 1 701 72 72 ILE HA H 3.63 0.02 1 702 72 72 ILE HB H 2.03 0.02 1 703 72 72 ILE HD1 H 0.86 0.02 1 704 72 72 ILE HG12 H 2.04 0.02 2 705 72 72 ILE HG13 H 0.86 0.02 2 706 72 72 ILE HG2 H 0.99 0.02 1 707 72 72 ILE C C 177.50 0.20 1 708 72 72 ILE CA C 65.66 0.20 1 709 72 72 ILE CB C 38.61 0.20 1 710 72 72 ILE CD1 C 15.36 0.20 1 711 72 72 ILE CG1 C 29.97 0.20 1 712 72 72 ILE CG2 C 17.10 0.20 1 713 72 72 ILE N N 121.35 0.20 1 714 73 73 ILE H H 8.63 0.02 1 715 73 73 ILE HA H 3.10 0.02 1 716 73 73 ILE HB H 1.48 0.02 1 717 73 73 ILE HD1 H 0.22 0.02 1 718 73 73 ILE HG12 H 1.17 0.02 2 719 73 73 ILE HG13 H -0.90 0.02 2 720 73 73 ILE HG2 H 0.51 0.02 1 721 73 73 ILE C C 177.93 0.20 1 722 73 73 ILE CA C 66.34 0.20 1 723 73 73 ILE CB C 37.34 0.20 1 724 73 73 ILE CD1 C 13.92 0.20 1 725 73 73 ILE CG1 C 29.65 0.20 1 726 73 73 ILE CG2 C 17.35 0.20 1 727 73 73 ILE N N 121.02 0.20 1 728 74 74 ASN H H 8.41 0.02 1 729 74 74 ASN HA H 4.38 0.02 1 730 74 74 ASN HB2 H 2.96 0.02 2 731 74 74 ASN HB3 H 2.76 0.02 2 732 74 74 ASN HD21 H 7.66 0.02 2 733 74 74 ASN HD22 H 7.08 0.02 2 734 74 74 ASN C C 177.70 0.20 1 735 74 74 ASN CA C 56.07 0.20 1 736 74 74 ASN CB C 37.90 0.20 1 737 74 74 ASN N N 117.76 0.20 1 738 74 74 ASN ND2 N 111.60 0.20 1 739 75 75 ALA H H 7.74 0.02 1 740 75 75 ALA HA H 4.23 0.02 1 741 75 75 ALA HB H 1.62 0.02 1 742 75 75 ALA C C 180.92 0.20 1 743 75 75 ALA CA C 54.97 0.20 1 744 75 75 ALA CB C 18.06 0.20 1 745 75 75 ALA N N 120.82 0.20 1 746 76 76 VAL H H 8.43 0.02 1 747 76 76 VAL HA H 3.59 0.02 1 748 76 76 VAL HB H 2.49 0.02 1 749 76 76 VAL HG1 H 1.13 0.02 2 750 76 76 VAL HG2 H 1.01 0.02 2 751 76 76 VAL C C 177.36 0.20 1 752 76 76 VAL CA C 67.09 0.20 1 753 76 76 VAL CB C 31.40 0.20 1 754 76 76 VAL CG1 C 23.82 0.20 2 755 76 76 VAL CG2 C 22.77 0.20 2 756 76 76 VAL N N 122.12 0.20 1 757 77 77 GLU H H 8.22 0.02 1 758 77 77 GLU HA H 4.06 0.02 1 759 77 77 GLU HB2 H 2.15 0.02 2 760 77 77 GLU HB3 H 2.11 0.02 2 761 77 77 GLU HG2 H 2.54 0.02 2 762 77 77 GLU HG3 H 2.21 0.02 2 763 77 77 GLU C C 177.27 0.20 1 764 77 77 GLU CA C 58.89 0.20 1 765 77 77 GLU CB C 30.05 0.20 1 766 77 77 GLU CG C 37.66 0.20 1 767 77 77 GLU N N 114.96 0.20 1 768 78 78 LYS H H 7.26 0.02 1 769 78 78 LYS HA H 4.29 0.02 1 770 78 78 LYS HB2 H 1.98 0.02 2 771 78 78 LYS HB3 H 1.92 0.02 2 772 78 78 LYS HD2 H 1.71 0.02 1 773 78 78 LYS HD3 H 1.71 0.02 1 774 78 78 LYS HE2 H 2.99 0.02 1 775 78 78 LYS HE3 H 2.99 0.02 1 776 78 78 LYS HG2 H 1.65 0.02 2 777 78 78 LYS HG3 H 1.57 0.02 2 778 78 78 LYS C C 177.53 0.20 1 779 78 78 LYS CA C 56.89 0.20 1 780 78 78 LYS CB C 32.98 0.20 1 781 78 78 LYS CD C 29.25 0.20 1 782 78 78 LYS CE C 42.12 0.20 1 783 78 78 LYS CG C 25.00 0.20 1 784 78 78 LYS N N 116.04 0.20 1 785 79 79 GLN H H 7.70 0.02 1 786 79 79 GLN HA H 4.48 0.02 1 787 79 79 GLN HB2 H 2.20 0.02 2 788 79 79 GLN HB3 H 2.15 0.02 2 789 79 79 GLN HE21 H 7.58 0.02 2 790 79 79 GLN HE22 H 6.95 0.02 2 791 79 79 GLN HG2 H 2.57 0.02 1 792 79 79 GLN HG3 H 2.57 0.02 1 793 79 79 GLN CA C 54.14 0.20 1 794 79 79 GLN CB C 28.13 0.20 1 795 79 79 GLN CG C 33.82 0.20 1 796 79 79 GLN N N 120.27 0.20 1 797 79 79 GLN NE2 N 112.41 0.20 1 798 80 80 PRO HA H 4.63 0.02 1 799 80 80 PRO HB2 H 2.09 0.02 1 800 80 80 PRO HB3 H 2.09 0.02 1 801 80 80 PRO HD2 H 3.75 0.02 2 802 80 80 PRO HD3 H 3.68 0.02 2 803 80 80 PRO HG2 H 2.16 0.02 2 804 80 80 PRO HG3 H 2.08 0.02 2 805 80 80 PRO C C 176.27 0.20 1 806 80 80 PRO CA C 62.53 0.20 1 807 80 80 PRO CB C 29.50 0.20 1 808 80 80 PRO CD C 49.80 0.20 1 809 80 80 PRO CG C 27.84 0.20 1 810 81 81 LEU H H 8.26 0.02 1 811 81 81 LEU HA H 4.60 0.02 1 812 81 81 LEU HB2 H 1.77 0.02 2 813 81 81 LEU HB3 H 1.65 0.02 2 814 81 81 LEU HD1 H 0.92 0.02 1 815 81 81 LEU HD2 H 0.92 0.02 1 816 81 81 LEU HG H 1.82 0.02 1 817 81 81 LEU C C 178.07 0.20 1 818 81 81 LEU CA C 54.55 0.20 1 819 81 81 LEU CB C 43.50 0.20 1 820 81 81 LEU CD1 C 25.91 0.20 2 821 81 81 LEU CD2 C 22.91 0.20 2 822 81 81 LEU CG C 26.42 0.20 1 823 81 81 LEU N N 125.83 0.20 1 824 82 82 SER H H 8.99 0.02 1 825 82 82 SER HA H 4.55 0.02 1 826 82 82 SER HB2 H 4.03 0.02 2 827 82 82 SER HB3 H 3.93 0.02 2 828 82 82 SER CA C 58.57 0.20 1 829 82 82 SER CB C 63.93 0.20 1 830 82 82 SER N N 117.15 0.20 1 831 83 83 SER H H 7.75 0.02 1 832 83 83 SER HA H 4.67 0.02 1 833 83 83 SER HB2 H 4.10 0.02 2 834 83 83 SER HB3 H 3.88 0.02 2 835 83 83 SER C C 173.05 0.20 1 836 83 83 SER CA C 57.03 0.20 1 837 83 83 SER CB C 64.76 0.20 1 838 83 83 SER N N 115.06 0.20 1 839 84 84 ASN H H 8.43 0.02 1 840 84 84 ASN HA H 4.68 0.02 1 841 84 84 ASN HB2 H 3.46 0.02 2 842 84 84 ASN HB3 H 2.90 0.02 2 843 84 84 ASN HD21 H 7.39 0.02 2 844 84 84 ASN HD22 H 6.75 0.02 2 845 84 84 ASN C C 173.08 0.20 1 846 84 84 ASN CA C 53.06 0.20 1 847 84 84 ASN CB C 37.50 0.20 1 848 84 84 ASN N N 118.87 0.20 1 849 84 84 ASN ND2 N 110.56 0.20 1 850 85 85 MET H H 8.07 0.02 1 851 85 85 MET HA H 4.91 0.02 1 852 85 85 MET HB2 H 1.96 0.02 2 853 85 85 MET HB3 H 1.85 0.02 2 854 85 85 MET HE H 1.99 0.02 1 855 85 85 MET HG2 H 2.46 0.02 2 856 85 85 MET HG3 H 2.27 0.02 2 857 85 85 MET C C 175.62 0.20 1 858 85 85 MET CA C 53.99 0.20 1 859 85 85 MET CB C 31.39 0.20 1 860 85 85 MET CE C 16.75 0.20 1 861 85 85 MET CG C 31.79 0.20 1 862 85 85 MET N N 119.36 0.20 1 863 86 86 ILE H H 9.12 0.02 1 864 86 86 ILE HA H 4.17 0.02 1 865 86 86 ILE HB H 2.13 0.02 1 866 86 86 ILE HD1 H 0.76 0.02 1 867 86 86 ILE HG12 H 1.92 0.02 2 868 86 86 ILE HG13 H 1.20 0.02 2 869 86 86 ILE HG2 H 0.91 0.02 1 870 86 86 ILE C C 175.24 0.20 1 871 86 86 ILE CA C 59.08 0.20 1 872 86 86 ILE CB C 36.18 0.20 1 873 86 86 ILE CD1 C 10.39 0.20 1 874 86 86 ILE CG1 C 27.04 0.20 1 875 86 86 ILE CG2 C 18.63 0.20 1 876 86 86 ILE N N 127.61 0.20 1 877 87 87 GLU H H 8.40 0.02 1 878 87 87 GLU HA H 4.41 0.02 1 879 87 87 GLU HB2 H 2.44 0.02 2 880 87 87 GLU HB3 H 1.94 0.02 2 881 87 87 GLU HG2 H 2.48 0.02 1 882 87 87 GLU HG3 H 2.48 0.02 1 883 87 87 GLU C C 177.55 0.20 1 884 87 87 GLU CA C 54.97 0.20 1 885 87 87 GLU CB C 31.14 0.20 1 886 87 87 GLU CG C 35.80 0.20 1 887 87 87 GLU N N 124.92 0.20 1 888 88 88 ARG H H 9.54 0.02 1 889 88 88 ARG HA H 3.59 0.02 1 890 88 88 ARG HB2 H 1.87 0.02 2 891 88 88 ARG HB3 H 1.45 0.02 2 892 88 88 ARG HD2 H 3.11 0.02 2 893 88 88 ARG HD3 H 2.97 0.02 2 894 88 88 ARG HE H 7.31 0.02 1 895 88 88 ARG HG2 H 1.33 0.02 1 896 88 88 ARG HG3 H 1.33 0.02 1 897 88 88 ARG C C 177.34 0.20 1 898 88 88 ARG CA C 60.67 0.20 1 899 88 88 ARG CB C 29.27 0.20 1 900 88 88 ARG CD C 43.42 0.20 1 901 88 88 ARG CG C 27.10 0.20 1 902 88 88 ARG N N 122.72 0.20 1 903 88 88 ARG NE N 109.68 0.20 1 904 89 89 SER H H 8.931 0.02 1 905 89 89 SER HA H 4.043 0.02 1 906 89 89 SER HB2 H 3.907 0.02 2 907 89 89 SER HB3 H 3.874 0.02 2 908 89 89 SER C C 176.81 0.20 1 909 89 89 SER CA C 61.57 0.20 1 910 89 89 SER CB C 61.51 0.20 1 911 89 89 SER N N 113.15 0.20 1 912 90 90 VAL H H 6.81 0.02 1 913 90 90 VAL HA H 3.97 0.02 1 914 90 90 VAL HB H 2.29 0.02 1 915 90 90 VAL HG1 H 1.15 0.02 2 916 90 90 VAL HG2 H 1.08 0.02 2 917 90 90 VAL C C 178.47 0.20 1 918 90 90 VAL CA C 65.28 0.20 1 919 90 90 VAL CB C 32.28 0.20 1 920 90 90 VAL CG1 C 22.65 0.20 2 921 90 90 VAL CG2 C 22.29 0.20 2 922 90 90 VAL N N 123.32 0.20 1 923 91 91 VAL H H 7.34 0.02 1 924 91 91 VAL HA H 3.81 0.02 1 925 91 91 VAL HB H 2.12 0.02 1 926 91 91 VAL HG1 H 1.11 0.02 2 927 91 91 VAL HG2 H 1.04 0.02 2 928 91 91 VAL C C 176.90 0.20 1 929 91 91 VAL CA C 66.02 0.20 1 930 91 91 VAL CB C 31.59 0.20 1 931 91 91 VAL CG1 C 23.28 0.20 2 932 91 91 VAL CG2 C 24.06 0.20 2 933 91 91 VAL N N 118.18 0.20 1 934 92 92 GLU H H 8.71 0.02 1 935 92 92 GLU HA H 3.94 0.02 1 936 92 92 GLU HB2 H 1.76 0.02 2 937 92 92 GLU HB3 H 1.45 0.02 2 938 92 92 GLU HG2 H 1.89 0.02 2 939 92 92 GLU HG3 H 1.54 0.02 2 940 92 92 GLU C C 178.86 0.20 1 941 92 92 GLU CA C 59.68 0.20 1 942 92 92 GLU CB C 29.44 0.20 1 943 92 92 GLU CG C 35.45 0.20 1 944 92 92 GLU N N 122.16 0.20 1 945 93 93 ALA H H 7.39 0.02 1 946 93 93 ALA HA H 4.15 0.02 1 947 93 93 ALA HB H 1.50 0.02 1 948 93 93 ALA C C 179.93 0.20 1 949 93 93 ALA CA C 55.03 0.20 1 950 93 93 ALA CB C 17.87 0.20 1 951 93 93 ALA N N 120.61 0.20 1 952 94 94 ALA H H 7.76 0.02 1 953 94 94 ALA HA H 4.13 0.02 1 954 94 94 ALA HB H 1.67 0.02 1 955 94 94 ALA C C 180.24 0.20 1 956 94 94 ALA CA C 54.90 0.20 1 957 94 94 ALA CB C 20.86 0.20 1 958 94 94 ALA N N 120.36 0.20 1 959 95 95 VAL H H 8.79 0.02 1 960 95 95 VAL HA H 3.55 0.02 1 961 95 95 VAL HB H 2.53 0.02 1 962 95 95 VAL HG1 H 1.13 0.02 2 963 95 95 VAL HG2 H 0.94 0.02 2 964 95 95 VAL C C 179.22 0.20 1 965 95 95 VAL CA C 66.74 0.20 1 966 95 95 VAL CB C 31.63 0.20 1 967 95 95 VAL CG1 C 24.00 0.20 2 968 95 95 VAL CG2 C 21.25 0.20 2 969 95 95 VAL N N 119.95 0.20 1 970 96 96 GLN H H 8.03 0.02 1 971 96 96 GLN HA H 4.12 0.02 1 972 96 96 GLN HB2 H 2.23 0.02 1 973 96 96 GLN HB3 H 2.23 0.02 1 974 96 96 GLN HG2 H 2.57 0.02 2 975 96 96 GLN HG3 H 2.52 0.02 2 976 96 96 GLN C C 178.33 0.20 1 977 96 96 GLN CA C 58.71 0.20 1 978 96 96 GLN CB C 28.23 0.20 1 979 96 96 GLN CG C 33.81 0.20 1 980 96 96 GLN N N 119.68 0.20 1 981 97 97 GLU H H 8.01 0.02 1 982 97 97 GLU HA H 4.29 0.02 1 983 97 97 GLU HB2 H 2.14 0.02 1 984 97 97 GLU HB3 H 2.14 0.02 1 985 97 97 GLU HG2 H 2.40 0.02 2 986 97 97 GLU HG3 H 2.35 0.02 2 987 97 97 GLU C C 177.21 0.20 1 988 97 97 GLU CA C 57.86 0.20 1 989 97 97 GLU CB C 30.03 0.20 1 990 97 97 GLU CG C 36.29 0.20 1 991 97 97 GLU N N 117.94 0.20 1 992 98 98 SER H H 7.64 0.02 1 993 98 98 SER HA H 4.56 0.02 1 994 98 98 SER HB2 H 3.94 0.02 2 995 98 98 SER HB3 H 3.87 0.02 2 996 98 98 SER C C 173.60 0.20 1 997 98 98 SER CA C 58.70 0.20 1 998 98 98 SER CB C 64.15 0.20 1 999 98 98 SER N N 113.60 0.20 1 1000 99 99 SER H H 7.53 0.02 1 1001 99 99 SER HA H 4.27 0.02 1 1002 99 99 SER HB2 H 3.93 0.02 1 1003 99 99 SER HB3 H 3.93 0.02 1 1004 99 99 SER CA C 60.67 0.20 1 1005 99 99 SER CB C 64.81 0.20 1 1006 99 99 SER N N 123.10 0.20 1 stop_ save_