data_5892 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N NMR Assignments of the Hyperthermophile Sulfolobus Protein Sso10b2 and its Predicted Secondary Structure ; _BMRB_accession_number 5892 _BMRB_flat_file_name bmr5892.str _Entry_type original _Submission_date 2003-07-30 _Accession_date 2003-08-01 _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 Biyani Kalpesh . . 2 Kahsai Mebrahtu . . 3 Edmondson Stephen P. . 4 Shriver John W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 493 "13C chemical shifts" 400 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-11-05 update BMRB 'complete the entry citation' 2004-07-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure, stability, and nucleic acid binding of the hyperthermophile protein Sso10b2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16245938 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biyani Kalpesh . . 2 Kahsai Mebrahtu A. . 3 Clark Andrew T. . 4 Armstrong Tracy L. . 5 Edmondson Stephen P. . 6 Shriver John W. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 43 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14217 _Page_last 14230 _Year 2005 _Details . loop_ _Keyword 'hyperthermophile protein' Sulfolobus stop_ save_ ################################## # Molecular system description # ################################## save_system_Sso10b2 _Saveframe_category molecular_system _Mol_system_name Sso10b2 _Abbreviation_common Sso10b2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sso10b2 subunit 1' $Sso10b2_monomer 'Sso10b2 subunit 2' $Sso10b2_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Sso10b2 subunit 1' 1 'Sso10b2 subunit 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sso10b2_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sso10b2 _Abbreviation_common Sso10b2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MTEKLNEIVVRKTKNVEDHV LDVIVLFNQGIDEVILKGTG REISKAVDVYNSLKDRLGDG VQLVNVQTGSEVRDRRRISY ILLRLKRVY ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 GLU 4 LYS 5 LEU 6 ASN 7 GLU 8 ILE 9 VAL 10 VAL 11 ARG 12 LYS 13 THR 14 LYS 15 ASN 16 VAL 17 GLU 18 ASP 19 HIS 20 VAL 21 LEU 22 ASP 23 VAL 24 ILE 25 VAL 26 LEU 27 PHE 28 ASN 29 GLN 30 GLY 31 ILE 32 ASP 33 GLU 34 VAL 35 ILE 36 LEU 37 LYS 38 GLY 39 THR 40 GLY 41 ARG 42 GLU 43 ILE 44 SER 45 LYS 46 ALA 47 VAL 48 ASP 49 VAL 50 TYR 51 ASN 52 SER 53 LEU 54 LYS 55 ASP 56 ARG 57 LEU 58 GLY 59 ASP 60 GLY 61 VAL 62 GLN 63 LEU 64 VAL 65 ASN 66 VAL 67 GLN 68 THR 69 GLY 70 SER 71 GLU 72 VAL 73 ARG 74 ASP 75 ARG 76 ARG 77 ARG 78 ILE 79 SER 80 TYR 81 ILE 82 LEU 83 LEU 84 ARG 85 LEU 86 LYS 87 ARG 88 VAL 89 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1UDV "Crystal Structure Of The Hyperthermophilic Archaeal Dna-Binding Protein Sso10b2 At 1.85 A" 100.00 89 100.00 100.00 5.87e-53 PDB 2A2Y "Nmr Structue Of Sso10b2 From Sulfolobus Solfataricus" 98.88 89 100.00 100.00 7.50e-52 PDB 2BKY "Crystal Structure Of The Alba1:alba2 Heterodimer From Sulfolobus Solfataricus" 100.00 89 100.00 100.00 5.87e-53 EMBL CAA67067 "unknown [Sulfolobus shibatae B12]" 100.00 89 97.75 98.88 8.01e-52 GB AAK41238 "DNA binding protein SSO10b [Sulfolobus solfataricus P2]" 100.00 89 100.00 100.00 5.87e-53 GB ACP35355 "Alba, DNA/RNA-binding protein [Sulfolobus islandicus L.S.2.15]" 100.00 89 97.75 98.88 8.01e-52 GB ACP38015 "Alba, DNA/RNA-binding protein [Sulfolobus islandicus M.14.25]" 100.00 89 97.75 98.88 8.01e-52 GB ACP45511 "Alba, DNA/RNA-binding protein [Sulfolobus islandicus Y.G.57.14]" 100.00 89 97.75 98.88 8.01e-52 GB ACP48691 "Alba, DNA/RNA-binding protein [Sulfolobus islandicus Y.N.15.51]" 100.00 89 97.75 98.88 8.01e-52 REF NP_342448 "DNA binding protein [Sulfolobus solfataricus P2]" 100.00 89 100.00 100.00 5.87e-53 REF WP_009992410 "DNA-binding protein [Sulfolobus solfataricus]" 100.00 89 100.00 100.00 5.87e-53 REF WP_012711268 "DNA-binding protein [Sulfolobus islandicus]" 100.00 89 97.75 98.88 8.01e-52 REF YP_002829313 "DNA/RNA-binding protein [Sulfolobus islandicus M.14.25]" 100.00 89 97.75 98.88 8.01e-52 REF YP_002832000 "DNA/RNA-binding protein [Sulfolobus islandicus L.S.2.15]" 100.00 89 97.75 98.88 8.01e-52 SP P74762 "RecName: Full=DNA/RNA-binding protein Alba 2 [Sulfolobus shibatae]" 100.00 89 97.75 98.88 8.01e-52 SP Q97ZF4 "RecName: Full=DNA/RNA-binding protein Alba 2 [Sulfolobus solfataricus P2]" 100.00 89 100.00 100.00 5.87e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sso10b2_monomer 'Sulfolobus solfataricus' 2287 Archaea . Sulfolobus solfataricus 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 $Sso10b2_monomer 'recombinant technology' . . . . . 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 _Isotopic_labeling $Sso10b2_monomer 1.0 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_Varian _Saveframe_category software _Name Varian _Version . _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_Condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.6 0.2 n/a temperature 303 0.2 K 'ionic strength' 0.0 0.0 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_Sso10b2_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sso10b2 subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 THR CA C 61.999 0.6 1 2 . 2 THR HA H 3.738 0.04 1 3 . 2 THR C C 181.651 0.6 1 4 . 2 THR CB C 69.607 0.6 1 5 . 2 THR HB H 3.985 0.04 1 6 . 2 THR CG2 C 22.059 0.6 1 7 . 2 THR HG2 H 1.172 0.04 1 8 . 3 GLU H H 8.882 0.04 1 9 . 3 GLU N N 125.241 0.1 1 10 . 3 GLU CA C 56.928 0.6 1 11 . 3 GLU HA H 4.227 0.04 1 12 . 3 GLU C C 176.701 0.6 1 13 . 3 GLU CB C 30.934 0.6 1 14 . 3 GLU HB2 H 1.921 0.04 2 15 . 3 GLU HB3 H 1.794 0.04 2 16 . 3 GLU CG C 36.640 0.6 1 17 . 3 GLU HG2 H 2.149 0.04 1 18 . 3 GLU HG3 H 2.149 0.04 1 19 . 3 GLU CD C 182.129 0.6 1 20 . 4 LYS H H 8.545 0.04 1 21 . 4 LYS N N 123.257 0.1 1 22 . 4 LYS CA C 56.294 0.6 1 23 . 4 LYS HA H 4.183 0.04 1 24 . 4 LYS C C 176.438 0.6 1 25 . 4 LYS CB C 33.470 0.6 1 26 . 4 LYS HB2 H 1.680 0.04 2 27 . 4 LYS HB3 H 1.589 0.04 2 28 . 4 LYS CG C 25.229 0.6 1 29 . 4 LYS HG2 H 1.289 0.04 1 30 . 4 LYS HG3 H 1.289 0.04 1 31 . 4 LYS CD C 29.666 0.6 1 32 . 4 LYS HD2 H 1.554 0.04 2 33 . 4 LYS HD3 H 1.523 0.04 2 34 . 4 LYS CE C 42.346 0.6 1 35 . 4 LYS HE2 H 2.845 0.04 1 36 . 4 LYS HE3 H 2.845 0.04 1 37 . 5 LEU H H 8.253 0.04 1 38 . 5 LEU N N 123.914 0.1 1 39 . 5 LEU CA C 55.645 0.6 1 40 . 5 LEU HA H 4.337 0.04 1 41 . 5 LEU C C 175.686 0.6 1 42 . 5 LEU CB C 43.570 0.6 1 43 . 5 LEU HB2 H 1.445 0.04 1 44 . 5 LEU HB3 H 1.445 0.04 1 45 . 5 LEU CG C 27.764 0.6 1 46 . 5 LEU CD1 C 25.224 0.6 2 47 . 5 LEU HD1 H 0.703 0.04 1 48 . 5 LEU CD2 C 24.578 0.6 2 49 . 5 LEU HD2 H 0.703 0.04 1 50 . 5 LEU HG H 1.445 0.04 1 51 . 6 ASN H H 8.540 0.04 1 52 . 6 ASN N N 119.299 0.1 1 53 . 6 ASN CA C 53.758 0.6 1 54 . 6 ASN HA H 4.514 0.04 1 55 . 6 ASN C C 179.579 0.6 1 56 . 6 ASN CB C 40.444 0.6 1 57 . 6 ASN HB2 H 2.930 0.04 2 58 . 6 ASN HB3 H 2.381 0.04 2 59 . 7 GLU H H 7.957 0.04 1 60 . 7 GLU N N 121.029 0.1 1 61 . 7 GLU CA C 55.026 0.6 1 62 . 7 GLU HA H 5.084 0.04 1 63 . 7 GLU C C 177.297 0.6 1 64 . 7 GLU CB C 32.836 0.6 1 65 . 7 GLU HB2 H 1.752 0.04 2 66 . 7 GLU HB3 H 1.669 0.04 2 67 . 7 GLU CG C 36.006 0.6 1 68 . 7 GLU HG2 H 1.875 0.04 2 69 . 7 GLU HG3 H 1.870 0.04 2 70 . 8 ILE H H 9.223 0.04 1 71 . 8 ILE N N 128.251 0.1 1 72 . 8 ILE CA C 60.097 0.6 1 73 . 8 ILE HA H 4.144 0.04 1 74 . 8 ILE C C 178.219 0.6 1 75 . 8 ILE CB C 39.786 0.6 1 76 . 8 ILE HB H 1.602 0.04 1 77 . 8 ILE CG2 C 16.987 0.6 2 78 . 8 ILE HG2 H 0.670 0.04 1 79 . 8 ILE CG1 C 27.764 0.6 2 80 . 8 ILE HG12 H 1.096 0.04 2 81 . 8 ILE HG13 H 1.013 0.04 2 82 . 8 ILE CD1 C 13.817 0.6 1 83 . 8 ILE HD1 H 0.582 0.04 1 84 . 9 VAL H H 8.431 0.04 1 85 . 9 VAL N N 128.114 0.1 1 86 . 9 VAL CA C 61.999 0.6 1 87 . 9 VAL HA H 4.295 0.04 1 88 . 9 VAL C C 176.536 0.6 1 89 . 9 VAL CB C 32.202 0.6 1 90 . 9 VAL HB H 1.774 0.04 1 91 . 9 VAL CG1 C 22.060 0.6 2 92 . 9 VAL HG1 H 0.742 0.04 2 93 . 9 VAL CG2 C 22.055 0.6 2 94 . 9 VAL HG2 H 0.702 0.04 2 95 . 10 VAL H H 8.785 0.04 1 96 . 10 VAL N N 127.539 0.1 1 97 . 10 VAL CA C 62.633 0.6 1 98 . 10 VAL HA H 3.869 0.04 1 99 . 10 VAL C C 176.822 0.6 1 100 . 10 VAL CB C 31.568 0.6 1 101 . 10 VAL HB H 1.697 0.04 1 102 . 10 VAL CG1 C 22.060 0.6 2 103 . 10 VAL HG1 H 0.540 0.04 2 104 . 10 VAL CG2 C 22.080 0.6 2 105 . 10 VAL HG2 H 0.354 0.04 2 106 . 11 ARG H H 10.313 0.04 1 107 . 11 ARG N N 128.332 0.1 1 108 . 11 ARG CA C 55.026 0.6 1 109 . 11 ARG HA H 4.683 0.04 1 110 . 11 ARG C C 174.653 0.6 1 111 . 11 ARG CB C 34.104 0.6 1 112 . 11 ARG HB2 H 2.033 0.04 2 113 . 11 ARG HB3 H 1.917 0.04 2 114 . 11 ARG CG C 27.764 0.6 1 115 . 11 ARG HG2 H 1.719 0.04 1 116 . 11 ARG HG3 H 1.719 0.04 1 117 . 11 ARG CD C 43.614 0.6 1 118 . 11 ARG HD2 H 3.007 0.04 1 119 . 11 ARG HD3 H 3.007 0.04 1 120 . 12 LYS H H 9.064 0.04 1 121 . 12 LYS N N 122.672 0.1 1 122 . 12 LYS CA C 60.005 0.6 1 123 . 12 LYS HA H 3.830 0.04 1 124 . 12 LYS C C 174.830 0.6 1 125 . 12 LYS CB C 33.789 0.6 1 126 . 12 LYS HB2 H 1.802 0.04 2 127 . 12 LYS HB3 H 1.677 0.04 2 128 . 12 LYS CG C 25.233 0.6 1 129 . 12 LYS HG2 H 1.350 0.04 2 130 . 12 LYS HG3 H 1.254 0.04 2 131 . 12 LYS CD C 29.887 0.6 1 132 . 12 LYS HD2 H 1.599 0.04 1 133 . 12 LYS HD3 H 1.599 0.04 1 134 . 12 LYS CE C 42.440 0.6 1 135 . 12 LYS HE2 H 2.892 0.04 2 136 . 12 LYS HE3 H 2.893 0.04 2 137 . 13 THR H H 7.418 0.04 1 138 . 13 THR N N 104.142 0.1 1 139 . 13 THR CA C 62.633 0.6 1 140 . 13 THR HA H 4.020 0.04 1 141 . 13 THR C C 178.631 0.6 1 142 . 13 THR CB C 68.884 0.6 1 143 . 13 THR HB H 4.372 0.04 1 144 . 13 THR CG2 C 22.693 0.6 1 145 . 13 THR HG2 H 1.094 0.04 1 146 . 14 LYS H H 6.923 0.04 1 147 . 14 LYS N N 121.192 0.1 1 148 . 14 LYS CA C 55.026 0.6 1 149 . 14 LYS HA H 4.459 0.04 1 150 . 14 LYS C C 176.951 0.6 1 151 . 14 LYS CB C 35.372 0.6 1 152 . 14 LYS HB2 H 1.388 0.04 2 153 . 14 LYS HB3 H 1.330 0.04 2 154 . 14 LYS CG C 25.229 0.6 1 155 . 14 LYS HG2 H 1.134 0.04 2 156 . 14 LYS HG3 H 1.055 0.04 2 157 . 14 LYS CD C 29.666 0.6 1 158 . 14 LYS HD2 H 1.055 0.04 2 159 . 14 LYS HD3 H 0.977 0.04 2 160 . 14 LYS CE C 41.712 0.6 1 161 . 14 LYS HE2 H 2.453 0.04 2 162 . 14 LYS HE3 H 2.327 0.04 2 163 . 15 ASN H H 9.188 0.04 1 164 . 15 ASN N N 123.149 0.1 1 165 . 15 ASN CA C 53.124 0.6 1 166 . 15 ASN HA H 4.648 0.04 1 167 . 15 ASN C C 175.140 0.6 1 168 . 15 ASN CB C 39.176 0.6 1 169 . 15 ASN HB2 H 3.049 0.04 2 170 . 15 ASN HB3 H 2.855 0.04 2 171 . 16 VAL H H 8.772 0.04 1 172 . 16 VAL N N 122.081 0.1 1 173 . 16 VAL CA C 68.973 0.6 1 174 . 16 VAL HA H 3.322 0.04 1 175 . 16 VAL C C 174.664 0.6 1 176 . 16 VAL CB C 32.836 0.6 1 177 . 16 VAL HB H 1.956 0.04 1 178 . 16 VAL CG1 C 25.229 0.6 2 179 . 16 VAL HG1 H 1.023 0.04 2 180 . 16 VAL CG2 C 21.425 0.6 2 181 . 16 VAL HG2 H 0.724 0.04 2 182 . 17 GLU H H 8.873 0.04 1 183 . 17 GLU N N 118.997 0.1 1 184 . 17 GLU CA C 60.040 0.6 1 185 . 17 GLU HA H 3.791 0.04 1 186 . 17 GLU C C 174.194 0.6 1 187 . 17 GLU CB C 29.012 0.6 1 188 . 17 GLU HB2 H 1.882 0.04 2 189 . 17 GLU HB3 H 1.799 0.04 2 190 . 17 GLU CG C 36.640 0.6 1 191 . 17 GLU HG2 H 2.236 0.04 2 192 . 17 GLU HG3 H 2.141 0.04 2 193 . 17 GLU CD C 182.068 0.6 1 194 . 18 ASP H H 8.198 0.04 1 195 . 18 ASP N N 118.845 0.1 1 196 . 18 ASP CA C 57.562 0.6 1 197 . 18 ASP HA H 4.263 0.04 1 198 . 18 ASP C C 173.463 0.6 1 199 . 18 ASP CB C 35.054 0.6 1 200 . 18 ASP HB2 H 2.458 0.04 2 201 . 18 ASP HB3 H 2.344 0.04 2 202 . 19 HIS H H 7.509 0.04 1 203 . 19 HIS N N 116.240 0.1 1 204 . 19 HIS CA C 61.365 0.6 1 205 . 19 HIS HA H 4.262 0.04 1 206 . 19 HIS C C 175.195 0.6 1 207 . 19 HIS CB C 30.300 0.6 1 208 . 19 HIS HB2 H 3.215 0.04 2 209 . 19 HIS HB3 H 2.736 0.04 2 210 . 20 VAL H H 8.129 0.04 1 211 . 20 VAL N N 120.238 0.1 1 212 . 20 VAL CA C 67.705 0.6 1 213 . 20 VAL HA H 3.120 0.04 1 214 . 20 VAL C C 174.742 0.6 1 215 . 20 VAL CB C 31.568 0.6 1 216 . 20 VAL HB H 2.260 0.04 1 217 . 20 VAL CG1 C 24.595 0.6 2 218 . 20 VAL HG1 H 1.011 0.04 2 219 . 20 VAL CG2 C 21.425 0.6 2 220 . 20 VAL HG2 H 0.665 0.04 2 221 . 21 LEU H H 7.859 0.04 1 222 . 21 LEU N N 118.065 0.1 1 223 . 21 LEU CA C 58.829 0.6 1 224 . 21 LEU HA H 3.801 0.04 1 225 . 21 LEU C C 173.896 0.6 1 226 . 21 LEU CB C 41.078 0.6 1 227 . 21 LEU HB2 H 1.664 0.04 2 228 . 21 LEU HB3 H 1.526 0.04 2 229 . 21 LEU CG C 27.764 0.6 1 230 . 21 LEU CD1 C 25.229 0.6 2 231 . 21 LEU HD1 H 0.780 0.04 2 232 . 21 LEU CD2 C 23.961 0.6 2 233 . 21 LEU HD2 H 0.707 0.04 2 234 . 21 LEU HG H 1.680 0.04 1 235 . 22 ASP H H 7.566 0.04 1 236 . 22 ASP N N 118.222 0.1 1 237 . 22 ASP CA C 58.196 0.6 1 238 . 22 ASP HA H 4.104 0.04 1 239 . 22 ASP C C 173.480 0.6 1 240 . 22 ASP CB C 41.078 0.6 1 241 . 22 ASP HB2 H 2.891 0.04 2 242 . 22 ASP HB3 H 2.389 0.04 2 243 . 23 VAL H H 7.609 0.04 1 244 . 23 VAL N N 119.315 0.1 1 245 . 23 VAL CA C 67.068 0.6 1 246 . 23 VAL HA H 3.045 0.04 1 247 . 23 VAL C C 175.957 0.6 1 248 . 23 VAL CB C 31.562 0.6 1 249 . 23 VAL HB H 1.916 0.04 1 250 . 23 VAL CG1 C 23.327 0.6 1 251 . 23 VAL HG1 H 0.699 0.04 2 252 . 23 VAL CG2 C 23.327 0.6 1 253 . 24 ILE H H 7.889 0.04 1 254 . 24 ILE N N 119.838 0.1 1 255 . 24 ILE CA C 65.803 0.6 1 256 . 24 ILE HA H 3.369 0.04 1 257 . 24 ILE C C 174.478 0.6 1 258 . 24 ILE CB C 37.988 0.6 1 259 . 24 ILE HB H 1.832 0.04 1 260 . 24 ILE CG2 C 17.621 0.6 2 261 . 24 ILE HG2 H 0.820 0.04 1 262 . 24 ILE CG1 C 30.300 0.6 2 263 . 24 ILE HG12 H 1.555 0.04 2 264 . 24 ILE HG13 H 1.021 0.04 2 265 . 24 ILE CD1 C 13.817 0.6 1 266 . 24 ILE HD1 H 0.652 0.04 1 267 . 25 VAL H H 8.438 0.04 1 268 . 25 VAL N N 119.489 0.1 1 269 . 25 VAL CA C 67.705 0.6 1 270 . 25 VAL HA H 3.500 0.04 1 271 . 25 VAL C C 173.323 0.6 1 272 . 25 VAL CB C 32.202 0.6 1 273 . 25 VAL HB H 2.030 0.04 1 274 . 25 VAL CG1 C 23.961 0.6 2 275 . 25 VAL HG1 H 0.941 0.04 2 276 . 25 VAL CG2 C 21.425 0.6 2 277 . 25 VAL HG2 H 0.770 0.04 2 278 . 26 LEU H H 7.134 0.04 1 279 . 26 LEU N N 119.869 0.1 1 280 . 26 LEU CA C 58.829 0.6 1 281 . 26 LEU HA H 3.945 0.04 1 282 . 26 LEU C C 172.378 0.6 1 283 . 26 LEU CB C 41.123 0.6 1 284 . 26 LEU HB2 H 1.799 0.04 2 285 . 26 LEU HB3 H 1.135 0.04 2 286 . 26 LEU CD1 C 27.131 0.6 2 287 . 26 LEU HD1 H 0.673 0.04 2 288 . 26 LEU CD2 C 23.327 0.6 2 289 . 26 LEU HD2 H 0.354 0.04 2 290 . 26 LEU HG H 1.683 0.04 1 291 . 27 PHE H H 8.457 0.04 1 292 . 27 PHE N N 119.787 0.1 1 293 . 27 PHE CA C 57.132 0.6 1 294 . 27 PHE HA H 5.046 0.04 1 295 . 27 PHE C C 171.160 0.6 1 296 . 27 PHE CB C 37.789 0.6 1 297 . 27 PHE HB2 H 3.300 0.04 2 298 . 27 PHE HB3 H 3.012 0.04 2 299 . 27 PHE CD1 C 130.104 0.6 1 300 . 27 PHE HD1 H 7.400 0.04 2 301 . 27 PHE CD2 C 130.104 0.6 1 302 . 27 PHE HD2 H 7.398 0.04 2 303 . 27 PHE CE1 C 130.514 0.6 1 304 . 27 PHE HE1 H 6.891 0.04 2 305 . 27 PHE CE2 C 130.514 0.6 1 306 . 27 PHE HE2 H 6.890 0.04 2 307 . 27 PHE CZ C 117.510 0.6 1 308 . 27 PHE HZ H 6.665 0.04 1 309 . 28 ASN H H 8.982 0.04 1 310 . 28 ASN N N 119.145 0.1 1 311 . 28 ASN CA C 55.404 0.6 1 312 . 28 ASN HA H 4.502 0.04 1 313 . 28 ASN C C 175.530 0.6 1 314 . 28 ASN CB C 38.235 0.6 1 315 . 28 ASN HB2 H 2.927 0.04 2 316 . 28 ASN HB3 H 2.816 0.04 2 317 . 29 GLN H H 7.936 0.04 1 318 . 29 GLN N N 119.059 0.1 1 319 . 29 GLN CA C 56.294 0.6 1 320 . 29 GLN HA H 4.340 0.04 1 321 . 29 GLN C C 176.289 0.6 1 322 . 29 GLN CB C 29.666 0.6 1 323 . 29 GLN HB2 H 2.227 0.04 2 324 . 29 GLN HB3 H 2.192 0.04 2 325 . 29 GLN CG C 34.738 0.6 1 326 . 29 GLN HG2 H 2.486 0.04 2 327 . 29 GLN HG3 H 2.409 0.04 2 328 . 30 GLY H H 8.034 0.04 1 329 . 30 GLY N N 107.258 0.1 1 330 . 30 GLY CA C 45.722 0.6 1 331 . 30 GLY HA2 H 4.160 0.04 2 332 . 30 GLY HA3 H 3.581 0.04 2 333 . 30 GLY C C 178.404 0.6 1 334 . 31 ILE H H 7.575 0.04 1 335 . 31 ILE N N 123.392 0.1 1 336 . 31 ILE CA C 61.365 0.6 1 337 . 31 ILE HA H 3.983 0.04 1 338 . 31 ILE C C 177.652 0.6 1 339 . 31 ILE CB C 36.640 0.6 1 340 . 31 ILE HB H 1.728 0.04 1 341 . 31 ILE CG2 C 19.523 0.6 2 342 . 31 ILE HG2 H 0.853 0.04 1 343 . 31 ILE CG1 C 28.398 0.6 2 344 . 31 ILE HG12 H 1.292 0.04 2 345 . 31 ILE HG13 H 1.129 0.04 2 346 . 31 ILE CD1 C 13.183 0.6 1 347 . 31 ILE HD1 H 0.724 0.04 1 348 . 32 ASP H H 8.156 0.04 1 349 . 32 ASP N N 122.729 0.1 1 350 . 32 ASP CA C 55.660 0.6 1 351 . 32 ASP HA H 4.529 0.04 1 352 . 32 ASP C C 177.435 0.6 1 353 . 32 ASP CB C 42.346 0.6 1 354 . 32 ASP HB2 H 2.735 0.04 1 355 . 32 ASP HB3 H 2.735 0.04 1 356 . 32 ASP CG C 177.773 0.6 1 357 . 33 GLU H H 7.523 0.04 1 358 . 33 GLU N N 117.351 0.1 1 359 . 33 GLU CA C 55.660 0.6 1 360 . 33 GLU HA H 5.566 0.04 1 361 . 33 GLU C C 177.504 0.6 1 362 . 33 GLU CB C 34.104 0.6 1 363 . 33 GLU HB2 H 1.788 0.04 2 364 . 33 GLU HB3 H 1.766 0.04 2 365 . 33 GLU CG C 37.274 0.6 1 366 . 33 GLU HG2 H 2.128 0.04 2 367 . 33 GLU HG3 H 1.914 0.04 2 368 . 33 GLU CD C 181.906 0.6 1 369 . 34 VAL H H 8.820 0.04 1 370 . 34 VAL N N 120.596 0.1 1 371 . 34 VAL CA C 60.097 0.6 1 372 . 34 VAL HA H 4.607 0.04 1 373 . 34 VAL C C 178.973 0.6 1 374 . 34 VAL CB C 37.274 0.6 1 375 . 34 VAL HB H 1.606 0.04 1 376 . 34 VAL CG1 C 22.693 0.6 1 377 . 34 VAL HG1 H 0.623 0.04 1 378 . 34 VAL CG2 C 22.693 0.6 1 379 . 34 VAL HG2 H 0.623 0.04 1 380 . 35 ILE H H 8.612 0.04 1 381 . 35 ILE N N 124.386 0.1 1 382 . 35 ILE CA C 59.463 0.6 1 383 . 35 ILE HA H 4.748 0.04 1 384 . 35 ILE C C 177.616 0.6 1 385 . 35 ILE CB C 41.078 0.6 1 386 . 35 ILE HB H 1.509 0.04 1 387 . 35 ILE CG2 C 19.523 0.6 2 388 . 35 ILE HG2 H 0.596 0.04 1 389 . 35 ILE CG1 C 27.131 0.6 2 390 . 35 ILE HG12 H 1.363 0.04 2 391 . 35 ILE HG13 H 0.822 0.04 2 392 . 35 ILE CD1 C 14.451 0.6 1 393 . 35 ILE HD1 H 0.647 0.04 1 394 . 36 LEU H H 9.153 0.04 1 395 . 36 LEU N N 127.312 0.1 1 396 . 36 LEU CA C 53.758 0.6 1 397 . 36 LEU HA H 4.956 0.04 1 398 . 36 LEU C C 177.579 0.6 1 399 . 36 LEU CB C 45.516 0.6 1 400 . 36 LEU HB2 H 1.491 0.04 2 401 . 36 LEU HB3 H 1.250 0.04 2 402 . 36 LEU CG C 27.764 0.6 1 403 . 36 LEU CD1 C 26.497 0.6 2 404 . 36 LEU HD1 H 0.629 0.04 2 405 . 36 LEU CD2 C 25.229 0.6 2 406 . 36 LEU HD2 H 0.698 0.04 2 407 . 36 LEU HG H 1.373 0.04 1 408 . 37 LYS H H 8.969 0.04 1 409 . 37 LYS N N 125.595 0.1 1 410 . 37 LYS CA C 54.494 0.6 1 411 . 37 LYS HA H 5.344 0.04 1 412 . 37 LYS C C 177.463 0.6 1 413 . 37 LYS CB C 36.640 0.6 1 414 . 37 LYS HB2 H 1.555 0.04 2 415 . 37 LYS HB3 H 1.212 0.04 2 416 . 37 LYS CG C 25.073 0.6 1 417 . 37 LYS CD C 26.564 0.6 1 418 . 37 LYS CE C 42.259 0.6 1 419 . 38 GLY H H 8.426 0.04 1 420 . 38 GLY N N 110.851 0.1 1 421 . 38 GLY CA C 44.272 0.6 1 422 . 38 GLY HA2 H 4.796 0.04 2 423 . 38 GLY C C 180.915 0.6 1 424 . 39 THR H H 8.307 0.04 1 425 . 39 THR N N 113.212 0.1 1 426 . 39 THR CA C 59.569 0.6 1 427 . 39 THR HA H 5.116 0.04 1 428 . 39 THR C C 177.474 0.6 1 429 . 39 THR CB C 71.876 0.6 1 430 . 39 THR HB H 4.062 0.04 1 431 . 39 THR CG2 C 22.693 0.6 1 432 . 39 THR HG2 H 1.009 0.04 1 433 . 40 GLY H H 8.710 0.04 1 434 . 40 GLY N N 109.858 0.1 1 435 . 40 GLY CA C 47.219 0.6 1 436 . 40 GLY HA2 H 5.008 0.04 2 437 . 40 GLY HA3 H 3.861 0.04 2 438 . 40 GLY C C 175.832 0.6 1 439 . 41 ARG H H 9.135 0.04 1 440 . 41 ARG N N 126.266 0.1 1 441 . 41 ARG CA C 58.829 0.6 1 442 . 41 ARG HA H 3.945 0.04 1 443 . 41 ARG C C 173.908 0.6 1 444 . 41 ARG CB C 30.216 0.6 1 445 . 41 ARG HB2 H 1.798 0.04 2 446 . 41 ARG HB3 H 1.796 0.04 2 447 . 41 ARG CG C 28.398 0.6 1 448 . 41 ARG HG2 H 1.755 0.04 2 449 . 41 ARG HG3 H 1.633 0.04 2 450 . 41 ARG CD C 43.614 0.6 1 451 . 41 ARG HD2 H 3.164 0.04 1 452 . 41 ARG HD3 H 3.164 0.04 1 453 . 42 GLU H H 8.235 0.04 1 454 . 42 GLU N N 117.444 0.1 1 455 . 42 GLU CA C 59.463 0.6 1 456 . 42 GLU HA H 4.058 0.04 1 457 . 42 GLU C C 175.391 0.6 1 458 . 42 GLU CB C 29.666 0.6 1 459 . 42 GLU HB2 H 1.834 0.04 2 460 . 42 GLU HB3 H 1.832 0.04 2 461 . 42 GLU CG C 39.810 0.6 1 462 . 42 GLU HG2 H 2.231 0.04 2 463 . 42 GLU HG3 H 1.835 0.04 2 464 . 42 GLU CD C 176.132 0.6 1 465 . 43 ILE H H 7.789 0.04 1 466 . 43 ILE N N 122.586 0.1 1 467 . 43 ILE CA C 67.075 0.6 1 468 . 43 ILE HA H 3.175 0.04 1 469 . 43 ILE C C 175.070 0.6 1 470 . 43 ILE CB C 38.552 0.6 1 471 . 43 ILE HB H 1.523 0.04 1 472 . 44 SER H H 7.142 0.04 1 473 . 44 SER N N 111.939 0.1 1 474 . 44 SER CA C 62.029 0.6 1 475 . 44 SER HA H 3.629 0.04 1 476 . 44 SER C C 177.755 0.6 1 477 . 44 SER CB C 62.732 0.6 1 478 . 44 SER HB2 H 3.431 0.04 1 479 . 44 SER HB3 H 3.431 0.04 1 480 . 45 LYS H H 6.350 0.04 1 481 . 45 LYS N N 121.721 0.1 1 482 . 45 LYS CA C 59.463 0.6 1 483 . 45 LYS HA H 3.986 0.04 1 484 . 45 LYS C C 175.032 0.6 1 485 . 45 LYS CB C 33.208 0.6 1 486 . 45 LYS HB2 H 1.837 0.04 2 487 . 45 LYS CE C 42.154 0.6 1 488 . 45 LYS HE2 H 2.930 0.04 2 489 . 46 ALA H H 8.092 0.04 1 490 . 46 ALA N N 120.818 0.1 1 491 . 46 ALA CA C 56.109 0.6 1 492 . 46 ALA HA H 3.590 0.04 1 493 . 46 ALA C C 174.113 0.6 1 494 . 46 ALA CB C 17.621 0.6 1 495 . 46 ALA HB H 1.055 0.04 1 496 . 47 VAL H H 7.227 0.04 1 497 . 47 VAL N N 116.509 0.1 1 498 . 47 VAL CA C 67.705 0.6 1 499 . 47 VAL HA H 3.355 0.04 1 500 . 47 VAL C C 175.185 0.6 1 501 . 47 VAL CB C 31.568 0.6 1 502 . 47 VAL HB H 2.012 0.04 1 503 . 47 VAL CG1 C 23.314 0.6 2 504 . 47 VAL HG1 H 0.820 0.04 2 505 . 47 VAL CG2 C 22.882 0.6 2 506 . 47 VAL HG2 H 0.782 0.04 2 507 . 48 ASP H H 8.087 0.04 1 508 . 48 ASP N N 121.029 0.1 1 509 . 48 ASP CA C 58.653 0.6 1 510 . 48 ASP HA H 4.072 0.04 1 511 . 48 ASP C C 172.985 0.6 1 512 . 48 ASP CB C 40.764 0.6 1 513 . 48 ASP HB2 H 2.908 0.04 2 514 . 48 ASP HB3 H 2.499 0.04 2 515 . 49 VAL H H 8.613 0.04 1 516 . 49 VAL N N 121.187 0.1 1 517 . 49 VAL CA C 66.891 0.6 1 518 . 49 VAL HA H 3.318 0.04 1 519 . 49 VAL C C 175.366 0.6 1 520 . 49 VAL CB C 31.685 0.6 1 521 . 49 VAL HB H 2.162 0.04 1 522 . 49 VAL CG1 C 24.595 0.6 2 523 . 49 VAL HG1 H 0.961 0.04 2 524 . 49 VAL CG2 C 22.693 0.6 2 525 . 49 VAL HG2 H 0.637 0.04 2 526 . 50 TYR H H 7.821 0.04 1 527 . 50 TYR N N 119.564 0.1 1 528 . 50 TYR CA C 61.999 0.6 1 529 . 50 TYR HA H 3.869 0.04 1 530 . 50 TYR C C 176.672 0.6 1 531 . 50 TYR CB C 38.542 0.6 1 532 . 50 TYR HB2 H 2.899 0.04 2 533 . 50 TYR HB3 H 2.813 0.04 2 534 . 50 TYR CD1 C 132.757 0.6 1 535 . 50 TYR HD1 H 6.760 0.04 2 536 . 50 TYR CD2 C 132.757 0.6 1 537 . 50 TYR HD2 H 6.761 0.04 2 538 . 50 TYR CE1 C 117.281 0.6 1 539 . 50 TYR HE1 H 6.461 0.04 2 540 . 50 TYR CE2 C 117.281 0.6 1 541 . 50 TYR HE2 H 6.454 0.04 2 542 . 51 ASN H H 8.566 0.04 1 543 . 51 ASN N N 116.967 0.1 1 544 . 51 ASN CA C 56.928 0.6 1 545 . 51 ASN HA H 3.738 0.04 1 546 . 51 ASN C C 174.694 0.6 1 547 . 51 ASN CB C 38.542 0.6 1 548 . 51 ASN HB2 H 2.383 0.04 1 549 . 51 ASN HB3 H 2.383 0.04 1 550 . 52 SER H H 8.049 0.04 1 551 . 52 SER N N 116.324 0.1 1 552 . 52 SER CA C 61.999 0.6 1 553 . 52 SER HA H 4.103 0.04 1 554 . 52 SER C C 175.001 0.6 1 555 . 52 SER CB C 63.267 0.6 1 556 . 52 SER HB2 H 3.648 0.04 2 557 . 52 SER HB3 H 3.642 0.04 2 558 . 53 LEU H H 8.375 0.04 1 559 . 53 LEU N N 123.131 0.1 1 560 . 53 LEU CA C 58.829 0.6 1 561 . 53 LEU HA H 3.752 0.04 1 562 . 53 LEU C C 173.948 0.6 1 563 . 53 LEU CB C 42.980 0.6 1 564 . 53 LEU HB2 H 1.798 0.04 2 565 . 53 LEU HB3 H 1.483 0.04 2 566 . 53 LEU CD1 C 27.764 0.6 2 567 . 53 LEU HD1 H 0.816 0.04 2 568 . 53 LEU CD2 C 26.466 0.6 2 569 . 53 LEU HD2 H 0.749 0.04 2 570 . 53 LEU HG H 1.558 0.04 1 571 . 54 LYS H H 8.519 0.04 1 572 . 54 LYS N N 120.713 0.1 1 573 . 54 LYS CA C 57.562 0.6 1 574 . 54 LYS HA H 3.709 0.04 1 575 . 54 LYS C C 172.564 0.6 1 576 . 54 LYS CB C 31.568 0.6 1 577 . 54 LYS HB2 H 1.604 0.04 2 578 . 54 LYS HB3 H 1.205 0.04 2 579 . 54 LYS CG C 23.961 0.6 1 580 . 54 LYS HG2 H 1.096 0.04 2 581 . 54 LYS HG3 H 1.095 0.04 2 582 . 54 LYS CD C 28.685 0.6 1 583 . 54 LYS HD2 H 1.403 0.04 2 584 . 54 LYS HD3 H 1.604 0.04 2 585 . 54 LYS CE C 42.980 0.6 1 586 . 54 LYS HE2 H 2.775 0.04 1 587 . 54 LYS HE3 H 2.775 0.04 1 588 . 55 ASP H H 7.967 0.04 1 589 . 55 ASP N N 120.687 0.1 1 590 . 55 ASP CA C 57.361 0.6 1 591 . 55 ASP HA H 4.142 0.04 1 592 . 55 ASP C C 174.917 0.6 1 593 . 55 ASP CB C 41.051 0.6 1 594 . 55 ASP HB2 H 2.696 0.04 2 595 . 55 ASP HB3 H 2.541 0.04 2 596 . 56 ARG H H 7.509 0.04 1 597 . 56 ARG N N 116.756 0.1 1 598 . 56 ARG CA C 58.196 0.6 1 599 . 56 ARG HA H 4.066 0.04 1 600 . 56 ARG C C 174.567 0.6 1 601 . 56 ARG CB C 31.568 0.6 1 602 . 56 ARG HB2 H 1.799 0.04 2 603 . 56 ARG HB3 H 1.721 0.04 2 604 . 56 ARG CG C 27.764 0.6 1 605 . 56 ARG HG2 H 1.562 0.04 2 606 . 56 ARG HG3 H 1.523 0.04 2 607 . 56 ARG CD C 43.614 0.6 1 608 . 56 ARG HD2 H 2.930 0.04 1 609 . 56 ARG HD3 H 2.930 0.04 1 610 . 57 LEU H H 8.609 0.04 1 611 . 57 LEU N N 115.890 0.1 1 612 . 57 LEU CA C 55.026 0.6 1 613 . 57 LEU HA H 4.345 0.04 1 614 . 57 LEU C C 173.520 0.6 1 615 . 57 LEU CB C 44.248 0.6 1 616 . 57 LEU HB2 H 1.524 0.04 2 617 . 57 LEU CD1 C 26.497 0.6 2 618 . 57 LEU HD1 H 0.726 0.04 2 619 . 58 GLY H H 8.695 0.04 1 620 . 58 GLY N N 113.748 0.1 1 621 . 58 GLY CA C 47.647 0.6 1 622 . 58 GLY HA2 H 3.735 0.04 2 623 . 58 GLY HA3 H 2.963 0.04 2 624 . 58 GLY C C 176.529 0.6 1 625 . 59 ASP H H 9.004 0.04 1 626 . 59 ASP N N 127.284 0.1 1 627 . 59 ASP CA C 56.001 0.6 1 628 . 59 ASP HA H 4.295 0.04 1 629 . 59 ASP C C 176.377 0.6 1 630 . 59 ASP CB C 40.267 0.6 1 631 . 59 ASP HB2 H 2.704 0.04 2 632 . 59 ASP HB3 H 2.471 0.04 2 633 . 59 ASP CG C 179.033 0.6 1 634 . 60 GLY H H 8.479 0.04 1 635 . 60 GLY N N 105.629 0.1 1 636 . 60 GLY CA C 46.299 0.6 1 637 . 60 GLY HA2 H 4.114 0.04 2 638 . 60 GLY HA3 H 3.445 0.04 2 639 . 60 GLY C C 179.115 0.6 1 640 . 61 VAL H H 7.658 0.04 1 641 . 61 VAL N N 119.546 0.1 1 642 . 61 VAL CA C 59.463 0.6 1 643 . 61 VAL HA H 4.990 0.04 1 644 . 61 VAL C C 180.935 0.6 1 645 . 61 VAL CB C 35.372 0.6 1 646 . 61 VAL HB H 1.688 0.04 1 647 . 61 VAL CG1 C 23.961 0.6 2 648 . 61 VAL HG1 H 0.875 0.04 2 649 . 61 VAL CG2 C 20.791 0.6 2 650 . 61 VAL HG2 H 0.774 0.04 2 651 . 62 GLN H H 9.050 0.04 1 652 . 62 GLN N N 124.524 0.1 1 653 . 62 GLN CA C 53.758 0.6 1 654 . 62 GLN HA H 4.681 0.04 1 655 . 62 GLN C C 177.611 0.6 1 656 . 62 GLN CB C 32.836 0.6 1 657 . 62 GLN HB2 H 1.804 0.04 2 658 . 62 GLN HB3 H 1.595 0.04 2 659 . 62 GLN CG C 36.006 0.6 1 660 . 62 GLN HG2 H 2.108 0.04 2 661 . 62 GLN HG3 H 1.960 0.04 2 662 . 63 LEU H H 8.550 0.04 1 663 . 63 LEU N N 126.457 0.1 1 664 . 63 LEU CA C 55.026 0.6 1 665 . 63 LEU HA H 4.455 0.04 1 666 . 63 LEU C C 176.380 0.6 1 667 . 63 LEU CB C 41.712 0.6 1 668 . 63 LEU HB2 H 1.680 0.04 2 669 . 63 LEU CD1 C 25.856 0.6 2 670 . 63 LEU HD1 H 0.274 0.04 1 671 . 63 LEU CD2 C 23.994 0.6 2 672 . 63 LEU HD2 H 0.274 0.04 1 673 . 63 LEU HG H 0.943 0.04 1 674 . 64 VAL H H 9.151 0.04 1 675 . 64 VAL N N 127.814 0.1 1 676 . 64 VAL CA C 64.535 0.6 1 677 . 64 VAL HA H 3.836 0.04 1 678 . 64 VAL C C 176.101 0.6 1 679 . 64 VAL CB C 33.470 0.6 1 680 . 64 VAL HB H 1.682 0.04 1 681 . 64 VAL CG1 C 22.059 0.6 1 682 . 64 VAL HG1 H 0.743 0.04 1 683 . 64 VAL CG2 C 22.059 0.6 1 684 . 64 VAL HG2 H 0.743 0.04 1 685 . 65 ASN H H 7.344 0.04 1 686 . 65 ASN N N 112.665 0.1 1 687 . 65 ASN CA C 54.008 0.6 1 688 . 65 ASN HA H 4.568 0.04 1 689 . 65 ASN C C 180.409 0.6 1 690 . 65 ASN CB C 42.193 0.6 1 691 . 65 ASN HB2 H 2.765 0.04 2 692 . 65 ASN HB3 H 2.538 0.04 2 693 . 66 VAL H H 8.119 0.04 1 694 . 66 VAL N N 121.163 0.1 1 695 . 66 VAL CA C 61.365 0.6 1 696 . 66 VAL HA H 4.801 0.04 1 697 . 66 VAL C C 178.344 0.6 1 698 . 66 VAL CB C 34.723 0.6 1 699 . 66 VAL HB H 1.638 0.04 1 700 . 66 VAL CG1 C 22.693 0.6 2 701 . 66 VAL HG1 H 0.664 0.04 2 702 . 66 VAL CG2 C 21.631 0.6 2 703 . 66 VAL HG2 H 0.578 0.04 2 704 . 67 GLN H H 8.793 0.04 1 705 . 67 GLN N N 124.693 0.1 1 706 . 67 GLN CA C 54.392 0.6 1 707 . 67 GLN HA H 4.652 0.04 1 708 . 67 GLN C C 178.272 0.6 1 709 . 67 GLN CB C 34.079 0.6 1 710 . 67 GLN HB2 H 2.031 0.04 2 711 . 67 GLN HB3 H 1.823 0.04 2 712 . 67 GLN CG C 34.737 0.6 1 713 . 67 GLN HG2 H 2.263 0.04 1 714 . 67 GLN HG3 H 2.263 0.04 1 715 . 68 THR H H 8.577 0.04 1 716 . 68 THR N N 114.812 0.1 1 717 . 68 THR CA C 59.722 0.6 1 718 . 68 THR HA H 4.606 0.04 1 719 . 68 THR C C 180.146 0.6 1 720 . 68 THR CB C 71.476 0.6 1 721 . 68 THR HB H 3.751 0.04 1 722 . 68 THR CG2 C 20.791 0.6 1 723 . 68 THR HG2 H 0.702 0.04 1 724 . 69 GLY H H 6.953 0.04 1 725 . 69 GLY N N 108.675 0.1 1 726 . 69 GLY CA C 46.158 0.6 1 727 . 69 GLY HA2 H 3.973 0.04 2 728 . 69 GLY HA3 H 3.599 0.04 2 729 . 69 GLY C C 180.296 0.6 1 730 . 70 SER H H 8.623 0.04 1 731 . 70 SER N N 117.484 0.1 1 732 . 70 SER CA C 57.562 0.6 1 733 . 70 SER HA H 5.214 0.04 1 734 . 70 SER C C 179.591 0.6 1 735 . 70 SER CB C 66.437 0.6 1 736 . 70 SER HB2 H 3.397 0.04 1 737 . 70 SER HB3 H 3.397 0.04 1 738 . 71 GLU H H 9.310 0.04 1 739 . 71 GLU N N 121.547 0.1 1 740 . 71 GLU CA C 54.392 0.6 1 741 . 71 GLU HA H 4.690 0.04 1 742 . 71 GLU C C 178.520 0.6 1 743 . 71 GLU CB C 33.470 0.6 1 744 . 71 GLU HB2 H 1.841 0.04 1 745 . 71 GLU HB3 H 1.841 0.04 1 746 . 71 GLU CG C 35.438 0.6 1 747 . 71 GLU HG2 H 2.015 0.04 2 748 . 71 GLU HG3 H 1.841 0.04 2 749 . 71 GLU CD C 185.199 0.6 1 750 . 72 VAL H H 8.535 0.04 1 751 . 72 VAL N N 121.671 0.1 1 752 . 72 VAL CA C 62.005 0.6 1 753 . 72 VAL HA H 4.533 0.04 1 754 . 72 VAL C C 176.182 0.6 1 755 . 72 VAL CB C 32.836 0.6 1 756 . 72 VAL HB H 1.720 0.04 1 757 . 72 VAL CG1 C 21.425 0.6 1 758 . 72 VAL HG1 H 0.671 0.04 2 759 . 72 VAL CG2 C 21.425 0.6 1 760 . 72 VAL HG2 H 0.574 0.04 2 761 . 73 ARG H H 8.857 0.04 1 762 . 73 ARG N N 128.509 0.1 1 763 . 73 ARG CA C 55.660 0.6 1 764 . 73 ARG HA H 4.379 0.04 1 765 . 73 ARG C C 176.834 0.6 1 766 . 73 ARG CB C 33.470 0.6 1 767 . 73 ARG HB2 H 1.601 0.04 2 768 . 73 ARG HB3 H 1.523 0.04 2 769 . 73 ARG CG C 27.131 0.6 1 770 . 73 ARG HG2 H 1.437 0.04 2 771 . 73 ARG HG3 H 1.333 0.04 2 772 . 73 ARG CD C 43.614 0.6 1 773 . 73 ARG HD2 H 3.086 0.04 2 774 . 73 ARG HD3 H 3.008 0.04 2 775 . 74 ASP H H 9.383 0.04 1 776 . 74 ASP N N 127.087 0.1 1 777 . 74 ASP CA C 56.329 0.6 1 778 . 74 ASP HA H 4.069 0.04 1 779 . 74 ASP C C 177.523 0.6 1 780 . 74 ASP CB C 39.845 0.6 1 781 . 74 ASP HB2 H 2.734 0.04 2 782 . 74 ASP HB3 H 2.498 0.04 2 783 . 74 ASP CG C 180.068 0.6 1 784 . 75 ARG H H 8.482 0.04 1 785 . 75 ARG N N 108.757 0.1 1 786 . 75 ARG CA C 58.190 0.6 1 787 . 75 ARG HA H 3.516 0.04 1 788 . 75 ARG C C 177.307 0.6 1 789 . 75 ARG CB C 28.398 0.6 1 790 . 75 ARG HB2 H 1.958 0.04 2 791 . 75 ARG HB3 H 1.875 0.04 2 792 . 75 ARG CG C 28.398 0.6 1 793 . 75 ARG HG2 H 1.407 0.04 1 794 . 75 ARG HG3 H 1.407 0.04 1 795 . 75 ARG CD C 43.595 0.6 1 796 . 75 ARG HD2 H 3.045 0.04 1 797 . 75 ARG HD3 H 3.045 0.04 1 798 . 76 ARG H H 7.896 0.04 1 799 . 76 ARG N N 120.399 0.1 1 800 . 76 ARG CA C 55.026 0.6 1 801 . 76 ARG HA H 4.497 0.04 1 802 . 76 ARG C C 178.178 0.6 1 803 . 76 ARG CB C 33.470 0.6 1 804 . 76 ARG HB2 H 1.685 0.04 1 805 . 76 ARG HB3 H 1.685 0.04 1 806 . 76 ARG CG C 27.131 0.6 1 807 . 76 ARG HG2 H 1.519 0.04 1 808 . 76 ARG HG3 H 1.519 0.04 1 809 . 76 ARG CD C 44.248 0.6 1 810 . 76 ARG HD2 H 3.086 0.04 1 811 . 76 ARG HD3 H 3.086 0.04 1 812 . 77 ARG H H 8.504 0.04 1 813 . 77 ARG N N 122.911 0.1 1 814 . 77 ARG CA C 56.294 0.6 1 815 . 77 ARG HA H 4.651 0.04 1 816 . 77 ARG C C 176.510 0.6 1 817 . 77 ARG CB C 31.568 0.6 1 818 . 77 ARG HB2 H 1.524 0.04 1 819 . 77 ARG HB3 H 1.524 0.04 1 820 . 77 ARG CG C 28.398 0.6 1 821 . 77 ARG HG2 H 1.402 0.04 2 822 . 77 ARG HG3 H 1.252 0.04 2 823 . 77 ARG CD C 43.614 0.6 1 824 . 77 ARG HD2 H 2.930 0.04 1 825 . 77 ARG HD3 H 2.930 0.04 1 826 . 78 ILE H H 9.312 0.04 1 827 . 78 ILE N N 125.932 0.1 1 828 . 78 ILE CA C 60.097 0.6 1 829 . 78 ILE HA H 4.453 0.04 1 830 . 78 ILE C C 177.339 0.6 1 831 . 78 ILE CB C 42.090 0.6 1 832 . 78 ILE HB H 1.721 0.04 1 833 . 78 ILE CG2 C 18.255 0.6 2 834 . 78 ILE HG2 H 0.864 0.04 1 835 . 78 ILE CG1 C 27.764 0.6 2 836 . 78 ILE HG12 H 1.420 0.04 2 837 . 78 ILE HG13 H 1.135 0.04 2 838 . 78 ILE CD1 C 14.451 0.6 1 839 . 78 ILE HD1 H 0.764 0.04 1 840 . 79 SER H H 9.041 0.04 1 841 . 79 SER N N 122.702 0.1 1 842 . 79 SER CA C 58.829 0.6 1 843 . 79 SER HA H 4.716 0.04 1 844 . 79 SER C C 179.362 0.6 1 845 . 79 SER CB C 64.459 0.6 1 846 . 79 SER HB2 H 3.665 0.04 2 847 . 79 SER HB3 H 3.475 0.04 2 848 . 80 TYR H H 8.433 0.04 1 849 . 80 TYR N N 118.038 0.1 1 850 . 80 TYR CA C 56.928 0.6 1 851 . 80 TYR HA H 5.441 0.04 1 852 . 80 TYR C C 180.048 0.6 1 853 . 80 TYR CB C 43.614 0.6 1 854 . 80 TYR HB2 H 2.762 0.04 2 855 . 80 TYR HB3 H 2.542 0.04 2 856 . 80 TYR CD1 C 132.640 0.6 1 857 . 80 TYR HD1 H 6.563 0.04 2 858 . 80 TYR CD2 C 132.640 0.6 1 859 . 80 TYR HD2 H 6.564 0.04 2 860 . 80 TYR CE1 C 117.281 0.6 1 861 . 80 TYR HE1 H 6.452 0.04 1 862 . 80 TYR CE2 C 117.281 0.6 1 863 . 80 TYR HE2 H 6.452 0.04 1 864 . 81 ILE H H 9.118 0.04 1 865 . 81 ILE N N 118.895 0.1 1 866 . 81 ILE CA C 60.097 0.6 1 867 . 81 ILE HA H 4.884 0.04 1 868 . 81 ILE C C 180.982 0.6 1 869 . 81 ILE CB C 44.248 0.6 1 870 . 81 ILE CD1 C 14.451 0.6 1 871 . 81 ILE HD1 H 0.350 0.04 1 872 . 82 LEU H H 9.016 0.04 1 873 . 82 LEU N N 125.087 0.1 1 874 . 82 LEU CA C 53.806 0.6 1 875 . 82 LEU HA H 5.176 0.04 1 876 . 82 LEU C C 176.179 0.6 1 877 . 82 LEU CB C 45.516 0.6 1 878 . 82 LEU HB2 H 1.601 0.04 2 879 . 82 LEU HB3 H 1.134 0.04 2 880 . 82 LEU CG C 26.493 0.6 1 881 . 82 LEU CD1 C 25.864 0.6 2 882 . 82 LEU HD1 H 0.663 0.04 2 883 . 82 LEU CD2 C 23.961 0.6 2 884 . 82 LEU HD2 H 0.624 0.04 2 885 . 82 LEU HG H 1.400 0.04 1 886 . 83 LEU H H 9.352 0.04 1 887 . 83 LEU N N 124.340 0.1 1 888 . 83 LEU CA C 55.026 0.6 1 889 . 83 LEU HA H 4.692 0.04 1 890 . 83 LEU C C 178.565 0.6 1 891 . 83 LEU CB C 42.980 0.6 1 892 . 83 LEU HB2 H 1.602 0.04 2 893 . 83 LEU HB3 H 1.049 0.04 2 894 . 83 LEU CG C 28.050 0.6 1 895 . 83 LEU CD1 C 27.764 0.6 2 896 . 83 LEU HD1 H 0.585 0.04 2 897 . 83 LEU CD2 C 26.635 0.6 2 898 . 83 LEU HD2 H 0.506 0.04 2 899 . 83 LEU HG H 1.357 0.04 1 900 . 84 ARG H H 8.465 0.04 1 901 . 84 ARG N N 125.062 0.1 1 902 . 84 ARG CA C 56.294 0.6 1 903 . 84 ARG HA H 4.711 0.04 1 904 . 84 ARG C C 178.795 0.6 1 905 . 84 ARG CB C 32.202 0.6 1 906 . 84 ARG HB2 H 1.708 0.04 2 907 . 84 ARG HB3 H 1.515 0.04 2 908 . 84 ARG CG C 28.398 0.6 1 909 . 84 ARG HG2 H 1.251 0.04 2 910 . 84 ARG HG3 H 1.132 0.04 2 911 . 84 ARG CD C 44.248 0.6 1 912 . 84 ARG HD2 H 2.892 0.04 1 913 . 84 ARG HD3 H 2.892 0.04 1 914 . 85 LEU H H 9.373 0.04 1 915 . 85 LEU N N 128.217 0.1 1 916 . 85 LEU CA C 53.902 0.6 1 917 . 85 LEU HA H 5.186 0.04 1 918 . 85 LEU C C 177.434 0.6 1 919 . 85 LEU CB C 45.580 0.6 1 920 . 85 LEU HB2 H 1.848 0.04 2 921 . 85 LEU HB3 H 1.244 0.04 2 922 . 85 LEU CD1 C 26.497 0.6 1 923 . 85 LEU HD1 H 0.702 0.04 1 924 . 85 LEU CD2 C 26.497 0.6 1 925 . 85 LEU HD2 H 0.702 0.04 1 926 . 86 LYS H H 9.069 0.04 1 927 . 86 LYS N N 121.379 0.1 1 928 . 86 LYS CA C 54.392 0.6 1 929 . 86 LYS HA H 5.306 0.04 1 930 . 86 LYS C C 177.756 0.6 1 931 . 86 LYS CB C 37.908 0.6 1 932 . 86 LYS HB2 H 1.480 0.04 2 933 . 86 LYS HB3 H 1.404 0.04 2 934 . 86 LYS CG C 25.229 0.6 1 935 . 86 LYS HG2 H 1.096 0.04 2 936 . 86 LYS HG3 H 1.057 0.04 2 937 . 86 LYS CD C 29.666 0.6 1 938 . 86 LYS HD2 H 1.446 0.04 2 939 . 86 LYS HD3 H 1.367 0.04 2 940 . 86 LYS CE C 42.980 0.6 1 941 . 86 LYS HE2 H 2.731 0.04 2 942 . 86 LYS HE3 H 2.734 0.04 2 943 . 87 ARG H H 8.589 0.04 1 944 . 87 ARG N N 127.972 0.1 1 945 . 87 ARG CA C 55.026 0.6 1 946 . 87 ARG HA H 3.910 0.04 1 947 . 87 ARG C C 177.831 0.6 1 948 . 87 ARG CB C 30.300 0.6 1 949 . 87 ARG HB2 H 1.134 0.04 2 950 . 87 ARG HB3 H 1.133 0.04 2 951 . 87 ARG CG C 27.131 0.6 1 952 . 87 ARG HG2 H 0.793 0.04 2 953 . 87 ARG HG3 H 0.578 0.04 2 954 . 87 ARG CD C 42.980 0.6 1 955 . 87 ARG HD2 H 2.688 0.04 2 956 . 87 ARG HD3 H 2.073 0.04 2 957 . 88 VAL H H 7.988 0.04 1 958 . 88 VAL N N 126.669 0.1 1 959 . 88 VAL CA C 61.999 0.6 1 960 . 88 VAL HA H 3.906 0.04 1 961 . 88 VAL C C 177.836 0.6 1 962 . 88 VAL CB C 33.474 0.6 1 963 . 88 VAL HB H 1.799 0.04 1 964 . 88 VAL CG1 C 21.425 0.6 1 965 . 88 VAL HG1 H 0.695 0.04 2 966 . 88 VAL CG2 C 21.425 0.6 1 967 . 88 VAL HG2 H 0.584 0.04 2 968 . 89 TYR H H 7.705 0.04 1 969 . 89 TYR N N 128.031 0.1 1 970 . 89 TYR CA C 59.722 0.6 1 971 . 89 TYR HA H 4.179 0.04 1 972 . 89 TYR CB C 39.600 0.6 1 973 . 89 TYR CD1 C 132.859 0.6 1 974 . 89 TYR HD1 H 7.015 0.04 2 975 . 89 TYR CD2 C 132.859 0.6 1 976 . 89 TYR HD2 H 7.014 0.04 2 977 . 89 TYR CE1 C 117.510 0.6 1 978 . 89 TYR HE1 H 6.666 0.04 2 979 . 89 TYR CE2 C 117.510 0.6 1 980 . 89 TYR HE2 H 6.662 0.04 2 stop_ save_