data_17880 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for a yeast protein ; _BMRB_accession_number 17880 _BMRB_flat_file_name bmr17880.str _Entry_type original _Submission_date 2011-08-23 _Accession_date 2011-08-23 _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 Wang Tao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 427 "13C chemical shifts" 303 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-23 update BMRB 'update entry citation' 2012-04-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of SWI1 AT-rich interaction domain from Saccharomyces cerevisiae and its nonspecific binding to DNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22488857 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Tao . . 2 Zhang Jiahai . . 3 Zhang Xuecheng . . 4 Tu Xiaoming . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 80 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1911 _Page_last 1917 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'yeast protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yeast_protein $yeast_protein 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_yeast_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common yeast_protein _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MQSLNPALQEKISTELNNKQ YELFMKSLIENCKKRNMPLQ SIPEIGNRKINLFYLYMLVQ KFGGADQVTRTQQWSMVAQR LQISDYQQLESIYFRILLPY ERHMISQEGIKETQAKRLEH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 GLN 3 2 SER 4 3 LEU 5 4 ASN 6 5 PRO 7 6 ALA 8 7 LEU 9 8 GLN 10 9 GLU 11 10 LYS 12 11 ILE 13 12 SER 14 13 THR 15 14 GLU 16 15 LEU 17 16 ASN 18 17 ASN 19 18 LYS 20 19 GLN 21 20 TYR 22 21 GLU 23 22 LEU 24 23 PHE 25 24 MET 26 25 LYS 27 26 SER 28 27 LEU 29 28 ILE 30 29 GLU 31 30 ASN 32 31 CYS 33 32 LYS 34 33 LYS 35 34 ARG 36 35 ASN 37 36 MET 38 37 PRO 39 38 LEU 40 39 GLN 41 40 SER 42 41 ILE 43 42 PRO 44 43 GLU 45 44 ILE 46 45 GLY 47 46 ASN 48 47 ARG 49 48 LYS 50 49 ILE 51 50 ASN 52 51 LEU 53 52 PHE 54 53 TYR 55 54 LEU 56 55 TYR 57 56 MET 58 57 LEU 59 58 VAL 60 59 GLN 61 60 LYS 62 61 PHE 63 62 GLY 64 63 GLY 65 64 ALA 66 65 ASP 67 66 GLN 68 67 VAL 69 68 THR 70 69 ARG 71 70 THR 72 71 GLN 73 72 GLN 74 73 TRP 75 74 SER 76 75 MET 77 76 VAL 78 77 ALA 79 78 GLN 80 79 ARG 81 80 LEU 82 81 GLN 83 82 ILE 84 83 SER 85 84 ASP 86 85 TYR 87 86 GLN 88 87 GLN 89 88 LEU 90 89 GLU 91 90 SER 92 91 ILE 93 92 TYR 94 93 PHE 95 94 ARG 96 95 ILE 97 96 LEU 98 97 LEU 99 98 PRO 100 99 TYR 101 100 GLU 102 101 ARG 103 102 HIS 104 103 MET 105 104 ILE 106 105 SER 107 106 GLN 108 107 GLU 109 108 GLY 110 109 ILE 111 110 LYS 112 111 GLU 113 112 THR 114 113 GLN 115 114 ALA 116 115 LYS 117 116 ARG 118 117 LEU 119 118 GLU 120 119 HIS 121 120 HIS 122 121 HIS 123 122 HIS 124 123 HIS 125 124 HIS 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 1KKX "Solution Structure Of The Dna-Binding Domain Of Adr6" 81.60 123 99.02 100.00 4.24e-67 PDB 1KN5 "Solution Structure Of Arid Domain Of Adr6 From Saccharomyces Cerevisiae" 81.60 123 99.02 100.00 4.24e-67 PDB 2LI6 "1h, 13c, And 15n Chemical Shift Assignments For Yeast Protein" 92.80 116 100.00 100.00 1.68e-78 DBJ GAA26956 "K7_Swi1bp, partial [Saccharomyces cerevisiae Kyokai no. 7]" 94.40 1140 98.31 100.00 9.23e-73 EMBL CAA31013 "unnamed protein product [Saccharomyces cerevisiae]" 94.40 1314 98.31 100.00 5.03e-73 EMBL CAY86943 "Swi1p [Saccharomyces cerevisiae EC1118]" 94.40 1228 98.31 100.00 1.21e-72 GB AAB68089 "Swi1p: contains zinc-finger, global transcription activator, involved in the regulation of expression of many genes, includes A" 94.40 1314 98.31 100.00 5.03e-73 GB AHY78155 "Swi1p [Saccharomyces cerevisiae YJM993]" 94.40 1319 97.46 100.00 1.64e-72 GB AJP42124 "Swi1p [Saccharomyces cerevisiae YJM1078]" 94.40 1319 98.31 100.00 5.68e-73 GB AJV91214 "Swi1p [Saccharomyces cerevisiae YJM1460]" 94.40 1336 98.31 100.00 5.80e-73 GB AJV91652 "Swi1p [Saccharomyces cerevisiae YJM1463]" 94.40 1322 98.31 100.00 5.32e-73 REF NP_015309 "Swi1p [Saccharomyces cerevisiae S288c]" 94.40 1314 98.31 100.00 5.03e-73 SP P09547 "RecName: Full=SWI/SNF chromatin-remodeling complex subunit SWI1; AltName: Full=Regulatory protein GAM3; AltName: Full=SWI/SNF c" 94.40 1314 98.31 100.00 5.03e-73 TPG DAA11412 "TPA: Swi1p [Saccharomyces cerevisiae S288c]" 94.40 1314 98.31 100.00 5.03e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $yeast_protein 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $yeast_protein 'recombinant technology' . Escherichia coli . 'pET 22b' 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 $yeast_protein 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 2 mM 'natural abundance' EDTA 1.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '2D 1H-13C HSQC' 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 yeast_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 1 2 GLN HA H 4.369 . 1 2 1 2 GLN HB2 H 2.508 . 2 3 1 2 GLN HB3 H 1.993 . 2 4 1 2 GLN HG2 H 2.332 . 2 5 1 2 GLN CA C 55.823 . 1 6 1 2 GLN CB C 29.527 . 1 7 1 2 GLN CG C 33.843 . 1 8 2 3 SER H H 8.536 . 1 9 2 3 SER HA H 4.366 . 1 10 2 3 SER HB2 H 3.786 . 2 11 2 3 SER CA C 58.097 . 1 12 2 3 SER CB C 64.063 . 1 13 2 3 SER N N 118.356 . 1 14 3 4 LEU H H 8.396 . 1 15 3 4 LEU HA H 4.291 . 1 16 3 4 LEU HB2 H 1.530 . 2 17 3 4 LEU HD1 H 0.798 . 2 18 3 4 LEU CA C 55.135 . 1 19 3 4 LEU CB C 42.339 . 1 20 3 4 LEU CG C 27.420 . 1 21 3 4 LEU CD1 C 24.814 . 2 22 3 4 LEU CD2 C 24.814 . 2 23 3 4 LEU N N 124.047 . 1 24 4 5 ASN H H 8.444 . 1 25 4 5 ASN HB2 H 2.794 . 2 26 4 5 ASN HB3 H 2.692 . 2 27 4 5 ASN CA C 51.059 . 1 28 4 5 ASN CB C 38.724 . 1 29 4 5 ASN N N 120.587 . 1 30 5 6 PRO HA H 4.285 . 1 31 5 6 PRO HB2 H 2.252 . 2 32 5 6 PRO HB3 H 1.918 . 2 33 5 6 PRO HG2 H 2.949 . 2 34 5 6 PRO HD2 H 3.760 . 2 35 5 6 PRO CA C 63.884 . 1 36 5 6 PRO CB C 32.109 . 1 37 5 6 PRO CG C 27.642 . 1 38 5 6 PRO CD C 50.720 . 1 39 6 7 ALA H H 8.168 . 1 40 6 7 ALA HA H 4.199 . 1 41 6 7 ALA HB H 1.317 . 1 42 6 7 ALA CA C 52.925 . 1 43 6 7 ALA CB C 18.707 . 1 44 6 7 ALA N N 121.593 . 1 45 7 8 LEU H H 7.847 . 1 46 7 8 LEU HA H 4.243 . 1 47 7 8 LEU HB2 H 1.562 . 2 48 7 8 LEU HB3 H 0.822 . 2 49 7 8 LEU CA C 55.326 . 1 50 7 8 LEU CB C 42.153 . 1 51 7 8 LEU CG C 27.419 . 1 52 7 8 LEU CD1 C 24.863 . 2 53 7 8 LEU N N 119.553 . 1 54 8 9 GLN H H 8.173 . 1 55 8 9 GLN HA H 4.124 . 1 56 8 9 GLN HB2 H 2.139 . 2 57 8 9 GLN HB3 H 1.864 . 2 58 8 9 GLN CA C 56.531 . 1 59 8 9 GLN CB C 30.224 . 1 60 8 9 GLN CG C 36.211 . 1 61 8 9 GLN N N 120.767 . 1 62 9 10 GLU H H 8.251 . 1 63 9 10 GLU HA H 4.581 . 1 64 9 10 GLU HG2 H 2.287 . 2 65 9 10 GLU HG3 H 1.973 . 2 66 9 10 GLU CA C 55.456 . 1 67 9 10 GLU CB C 30.065 . 1 68 9 10 GLU CG C 35.050 . 1 69 9 10 GLU N N 119.565 . 1 70 10 11 LYS H H 7.877 . 1 71 10 11 LYS HB2 H 1.776 . 2 72 10 11 LYS HG2 H 1.377 . 2 73 10 11 LYS CA C 56.933 . 1 74 10 11 LYS CB C 28.012 . 1 75 10 11 LYS N N 121.841 . 1 76 11 12 ILE H H 8.155 . 1 77 11 12 ILE HA H 4.648 . 1 78 11 12 ILE HB H 1.783 . 1 79 11 12 ILE HG12 H 1.420 . 2 80 11 12 ILE HG2 H 1.106 . 1 81 11 12 ILE HD1 H 0.784 . 1 82 11 12 ILE CA C 61.597 . 1 83 11 12 ILE CB C 38.517 . 1 84 11 12 ILE CG1 C 27.878 . 1 85 11 12 ILE CG2 C 17.898 . 1 86 11 12 ILE N N 121.567 . 1 87 12 13 SER H H 8.336 . 1 88 12 13 SER HA H 4.393 . 1 89 12 13 SER HB2 H 3.873 . 2 90 12 13 SER CA C 58.576 . 1 91 12 13 SER CB C 63.898 . 1 92 12 13 SER N N 118.989 . 1 93 13 14 THR H H 8.249 . 1 94 13 14 THR CB C 69.333 . 1 95 13 14 THR N N 116.543 . 1 96 14 15 GLU HA H 4.192 . 1 97 14 15 GLU HB2 H 2.292 . 2 98 14 15 GLU HB3 H 1.364 . 2 99 14 15 GLU HG2 H 1.978 . 2 100 14 15 GLU HG3 H 1.579 . 2 101 14 15 GLU CA C 56.183 . 1 102 14 15 GLU CB C 29.286 . 1 103 14 15 GLU CG C 34.020 . 1 104 15 16 LEU H H 8.243 . 1 105 15 16 LEU HA H 3.757 . 1 106 15 16 LEU HD1 H 0.761 . 2 107 15 16 LEU CA C 55.551 . 1 108 15 16 LEU CB C 41.668 . 1 109 15 16 LEU CG C 27.228 . 1 110 15 16 LEU CD1 C 24.736 . 2 111 15 16 LEU N N 121.412 . 1 112 16 17 ASN H H 8.126 . 1 113 16 17 ASN HA H 4.078 . 1 114 16 17 ASN HB2 H 2.880 . 2 115 16 17 ASN CA C 53.826 . 1 116 16 17 ASN CB C 38.706 . 1 117 16 17 ASN N N 118.275 . 1 118 17 18 ASN H H 8.333 . 1 119 17 18 ASN HA H 4.648 . 1 120 17 18 ASN HB2 H 2.894 . 2 121 17 18 ASN CA C 54.643 . 1 122 17 18 ASN CB C 38.729 . 1 123 17 18 ASN N N 119.020 . 1 124 18 19 LYS H H 8.371 . 1 125 18 19 LYS HA H 4.085 . 1 126 18 19 LYS HB2 H 1.893 . 2 127 18 19 LYS HG2 H 1.503 . 2 128 18 19 LYS HD2 H 1.694 . 2 129 18 19 LYS HE2 H 2.934 . 2 130 18 19 LYS CA C 58.894 . 1 131 18 19 LYS CB C 32.041 . 1 132 18 19 LYS CG C 25.187 . 1 133 18 19 LYS CD C 29.425 . 1 134 18 19 LYS N N 121.586 . 1 135 19 20 GLN H H 8.230 . 1 136 19 20 GLN HA H 3.927 . 1 137 19 20 GLN HB2 H 2.533 . 2 138 19 20 GLN HB3 H 2.159 . 2 139 19 20 GLN HG2 H 2.197 . 2 140 19 20 GLN HG3 H 1.553 . 2 141 19 20 GLN CA C 58.753 . 1 142 19 20 GLN CB C 28.198 . 1 143 19 20 GLN CG C 34.918 . 1 144 19 20 GLN N N 117.868 . 1 145 20 21 TYR H H 7.994 . 1 146 20 21 TYR HA H 4.245 . 1 147 20 21 TYR HB2 H 3.077 . 2 148 20 21 TYR CA C 61.495 . 1 149 20 21 TYR CB C 37.846 . 1 150 20 21 TYR N N 121.667 . 1 151 21 22 GLU H H 8.147 . 1 152 21 22 GLU HA H 4.166 . 1 153 21 22 GLU HB2 H 2.205 . 2 154 21 22 GLU HB3 H 1.941 . 2 155 21 22 GLU CA C 57.070 . 1 156 21 22 GLU CB C 29.901 . 1 157 21 22 GLU CG C 36.393 . 1 158 21 22 GLU N N 118.796 . 1 159 22 23 LEU H H 8.279 . 1 160 22 23 LEU HA H 3.960 . 1 161 22 23 LEU HB2 H 1.764 . 2 162 22 23 LEU HB3 H 1.496 . 2 163 22 23 LEU HD1 H 0.852 . 2 164 22 23 LEU HD2 H 1.511 . 2 165 22 23 LEU CA C 57.973 . 1 166 22 23 LEU CB C 41.680 . 1 167 22 23 LEU CD1 C 25.127 . 2 168 22 23 LEU N N 122.037 . 1 169 23 24 PHE H H 7.905 . 1 170 23 24 PHE HA H 3.995 . 1 171 23 24 PHE HB2 H 2.949 . 2 172 23 24 PHE HB3 H 2.884 . 2 173 23 24 PHE CA C 61.560 . 1 174 23 24 PHE CB C 39.206 . 1 175 23 24 PHE N N 121.885 . 1 176 24 25 MET H H 8.425 . 1 177 24 25 MET HA H 4.014 . 1 178 24 25 MET HB2 H 1.749 . 2 179 24 25 MET HB3 H 1.323 . 2 180 24 25 MET CA C 55.664 . 1 181 24 25 MET CB C 28.369 . 1 182 24 25 MET CG C 32.283 . 1 183 24 25 MET N N 117.570 . 1 184 25 26 LYS H H 7.866 . 1 185 25 26 LYS HA H 3.809 . 1 186 25 26 LYS HB2 H 1.781 . 2 187 25 26 LYS HB3 H 1.579 . 2 188 25 26 LYS HG2 H 1.302 . 2 189 25 26 LYS HE2 H 2.914 . 2 190 25 26 LYS CA C 59.897 . 1 191 25 26 LYS CB C 32.549 . 1 192 25 26 LYS CG C 25.349 . 1 193 25 26 LYS CD C 29.510 . 1 194 25 26 LYS N N 118.492 . 1 195 26 27 SER H H 7.405 . 1 196 26 27 SER HA H 4.114 . 1 197 26 27 SER CA C 60.796 . 1 198 26 27 SER CB C 62.793 . 1 199 26 27 SER N N 114.489 . 1 200 27 28 LEU H H 8.585 . 1 201 27 28 LEU HA H 3.445 . 1 202 27 28 LEU HB2 H 1.139 . 2 203 27 28 LEU CA C 57.916 . 1 204 27 28 LEU CB C 40.701 . 1 205 27 28 LEU CG C 27.325 . 1 206 27 28 LEU N N 124.628 . 1 207 28 29 ILE H H 8.814 . 1 208 28 29 ILE HA H 3.428 . 1 209 28 29 ILE HG12 H 0.829 . 2 210 28 29 ILE CA C 65.675 . 1 211 28 29 ILE CB C 37.367 . 1 212 28 29 ILE N N 120.707 . 1 213 29 30 GLU H H 7.768 . 1 214 29 30 GLU HA H 3.988 . 1 215 29 30 GLU HB2 H 2.032 . 2 216 29 30 GLU HG2 H 2.273 . 2 217 29 30 GLU CA C 59.272 . 1 218 29 30 GLU CB C 28.957 . 1 219 29 30 GLU CG C 36.151 . 1 220 29 30 GLU N N 119.723 . 1 221 30 31 ASN H H 7.960 . 1 222 30 31 ASN HA H 4.301 . 1 223 30 31 ASN HB2 H 2.914 . 2 224 30 31 ASN HB3 H 2.685 . 2 225 30 31 ASN CA C 58.127 . 1 226 30 31 ASN CB C 41.167 . 1 227 30 31 ASN N N 119.971 . 1 228 31 32 CYS H H 8.723 . 1 229 31 32 CYS CA C 64.481 . 1 230 31 32 CYS CB C 25.945 . 1 231 31 32 CYS N N 117.670 . 1 232 32 33 LYS H H 7.850 . 1 233 32 33 LYS HA H 3.743 . 1 234 32 33 LYS CA C 59.593 . 1 235 32 33 LYS CB C 32.174 . 1 236 32 33 LYS CG C 25.448 . 1 237 32 33 LYS N N 119.961 . 1 238 33 34 LYS H H 8.036 . 1 239 33 34 LYS HA H 3.974 . 1 240 33 34 LYS HB2 H 1.891 . 2 241 33 34 LYS HG2 H 1.398 . 2 242 33 34 LYS HG3 H 1.567 . 2 243 33 34 LYS HE2 H 2.897 . 2 244 33 34 LYS CA C 58.955 . 1 245 33 34 LYS CB C 32.023 . 1 246 33 34 LYS CG C 25.401 . 1 247 33 34 LYS CE C 42.183 . 1 248 33 34 LYS N N 121.785 . 1 249 34 35 ARG H H 7.212 . 1 250 34 35 ARG HA H 4.212 . 1 251 34 35 ARG HB2 H 1.627 . 2 252 34 35 ARG CA C 56.039 . 1 253 34 35 ARG CB C 30.823 . 1 254 34 35 ARG N N 115.851 . 1 255 35 36 ASN H H 8.039 . 1 256 35 36 ASN HA H 4.312 . 1 257 35 36 ASN HB2 H 3.074 . 2 258 35 36 ASN HB3 H 2.797 . 2 259 35 36 ASN CA C 53.995 . 1 260 35 36 ASN CB C 36.946 . 1 261 35 36 ASN N N 115.680 . 1 262 36 37 MET H H 8.035 . 1 263 36 37 MET CA C 52.431 . 1 264 36 37 MET CB C 33.342 . 1 265 36 37 MET N N 116.786 . 1 266 37 38 PRO HA H 4.038 . 1 267 37 38 PRO HB2 H 1.978 . 2 268 37 38 PRO HB3 H 1.654 . 2 269 37 38 PRO CA C 62.642 . 1 270 37 38 PRO CB C 32.073 . 1 271 37 38 PRO CG C 28.155 . 1 272 38 39 LEU H H 8.647 . 1 273 38 39 LEU HA H 4.289 . 1 274 38 39 LEU HB2 H 1.428 . 2 275 38 39 LEU CA C 54.446 . 1 276 38 39 LEU CB C 41.339 . 1 277 38 39 LEU N N 124.830 . 1 278 39 40 GLN H H 8.665 . 1 279 39 40 GLN HA H 4.212 . 1 280 39 40 GLN HB2 H 2.236 . 2 281 39 40 GLN HB3 H 1.931 . 2 282 39 40 GLN CA C 56.940 . 1 283 39 40 GLN CB C 29.255 . 1 284 39 40 GLN CG C 34.282 . 1 285 39 40 GLN N N 125.403 . 1 286 40 41 SER H H 7.574 . 1 287 40 41 SER HA H 4.425 . 1 288 40 41 SER HB2 H 3.741 . 2 289 40 41 SER CA C 57.239 . 1 290 40 41 SER CB C 64.477 . 1 291 40 41 SER N N 111.927 . 1 292 41 42 ILE H H 8.584 . 1 293 41 42 ILE N N 123.702 . 1 294 42 43 PRO HA H 4.387 . 1 295 42 43 PRO HB2 H 2.348 . 2 296 42 43 PRO HB3 H 1.720 . 2 297 42 43 PRO HG2 H 1.865 . 2 298 42 43 PRO CA C 63.130 . 1 299 42 43 PRO CB C 32.873 . 1 300 42 43 PRO CG C 27.785 . 1 301 43 44 GLU H H 8.186 . 1 302 43 44 GLU HA H 5.014 . 1 303 43 44 GLU HB2 H 1.906 . 2 304 43 44 GLU CA C 54.079 . 1 305 43 44 GLU CB C 33.195 . 1 306 43 44 GLU N N 117.475 . 1 307 44 45 ILE H H 8.193 . 1 308 44 45 ILE HA H 4.149 . 1 309 44 45 ILE HG2 H 0.929 . 1 310 44 45 ILE CA C 61.079 . 1 311 44 45 ILE CB C 40.606 . 1 312 44 45 ILE N N 119.586 . 1 313 45 46 GLY H H 9.418 . 1 314 45 46 GLY HA2 H 3.798 . 2 315 45 46 GLY CA C 47.564 . 1 316 45 46 GLY N N 120.314 . 1 317 46 47 ASN H H 8.836 . 1 318 46 47 ASN HA H 4.384 . 1 319 46 47 ASN HB2 H 2.960 . 2 320 46 47 ASN CA C 53.945 . 1 321 46 47 ASN CB C 37.676 . 1 322 46 47 ASN N N 114.472 . 1 323 47 48 ARG H H 7.669 . 1 324 47 48 ARG HA H 4.613 . 1 325 47 48 ARG HB2 H 1.823 . 2 326 47 48 ARG HG2 H 0.732 . 2 327 47 48 ARG HD2 H 3.223 . 2 328 47 48 ARG CA C 54.548 . 1 329 47 48 ARG CB C 31.805 . 1 330 47 48 ARG CD C 35.419 . 1 331 47 48 ARG N N 119.247 . 1 332 48 49 LYS H H 8.634 . 1 333 48 49 LYS HA H 4.179 . 1 334 48 49 LYS HB2 H 1.964 . 2 335 48 49 LYS HB3 H 1.762 . 2 336 48 49 LYS HG2 H 1.660 . 2 337 48 49 LYS HD2 H 1.372 . 2 338 48 49 LYS HD3 H 2.218 . 2 339 48 49 LYS HE2 H 3.147 . 2 340 48 49 LYS CA C 56.964 . 1 341 48 49 LYS CB C 30.475 . 1 342 48 49 LYS CD C 27.197 . 1 343 48 49 LYS CE C 43.219 . 1 344 48 49 LYS N N 124.019 . 1 345 49 50 ILE H H 8.078 . 1 346 49 50 ILE HA H 3.999 . 1 347 49 50 ILE HB H 1.812 . 1 348 49 50 ILE HG12 H 1.128 . 2 349 49 50 ILE HG2 H 1.461 . 1 350 49 50 ILE HD1 H 0.812 . 1 351 49 50 ILE CA C 61.595 . 1 352 49 50 ILE CB C 38.302 . 1 353 49 50 ILE CG1 C 27.743 . 1 354 49 50 ILE CG2 C 17.910 . 1 355 49 50 ILE N N 121.399 . 1 356 50 51 ASN H H 8.118 . 1 357 50 51 ASN HA H 4.811 . 1 358 50 51 ASN HB2 H 3.053 . 2 359 50 51 ASN HB3 H 2.654 . 2 360 50 51 ASN CA C 52.194 . 1 361 50 51 ASN CB C 37.868 . 1 362 50 51 ASN N N 124.625 . 1 363 51 52 LEU H H 9.431 . 1 364 51 52 LEU HA H 3.941 . 1 365 51 52 LEU HB2 H 2.055 . 2 366 51 52 LEU CA C 57.869 . 1 367 51 52 LEU CB C 42.336 . 1 368 51 52 LEU CG C 26.947 . 1 369 51 52 LEU N N 126.126 . 1 370 52 53 PHE H H 7.590 . 1 371 52 53 PHE HB2 H 3.337 . 2 372 52 53 PHE HB3 H 2.857 . 2 373 52 53 PHE CA C 58.165 . 1 374 52 53 PHE CB C 39.353 . 1 375 52 53 PHE N N 118.393 . 1 376 53 54 TYR H H 7.812 . 1 377 53 54 TYR HA H 3.952 . 1 378 53 54 TYR HB2 H 2.924 . 2 379 53 54 TYR CB C 37.069 . 1 380 53 54 TYR N N 119.380 . 1 381 54 55 LEU H H 8.236 . 1 382 54 55 LEU HB2 H 1.804 . 2 383 54 55 LEU CA C 59.605 . 1 384 54 55 LEU CB C 37.991 . 1 385 54 55 LEU N N 117.851 . 1 386 55 56 TYR H H 8.634 . 1 387 55 56 TYR HA H 4.282 . 1 388 55 56 TYR HB2 H 3.405 . 2 389 55 56 TYR HB3 H 2.924 . 2 390 55 56 TYR CA C 63.116 . 1 391 55 56 TYR CB C 39.807 . 1 392 55 56 TYR N N 123.981 . 1 393 56 57 MET H H 8.336 . 1 394 56 57 MET HA H 4.001 . 1 395 56 57 MET HB2 H 1.947 . 2 396 56 57 MET HB3 H 1.491 . 2 397 56 57 MET HG2 H 2.213 . 2 398 56 57 MET CA C 57.232 . 1 399 56 57 MET CB C 30.878 . 1 400 56 57 MET N N 115.966 . 1 401 57 58 LEU H H 8.368 . 1 402 57 58 LEU HA H 3.876 . 1 403 57 58 LEU HB2 H 1.612 . 2 404 57 58 LEU HB3 H 1.392 . 2 405 57 58 LEU HD1 H 0.704 . 2 406 57 58 LEU CA C 57.667 . 1 407 57 58 LEU CB C 42.408 . 1 408 57 58 LEU CG C 26.375 . 1 409 57 58 LEU CD1 C 24.990 . 2 410 57 58 LEU N N 122.059 . 1 411 58 59 VAL H H 7.950 . 1 412 58 59 VAL HA H 4.180 . 1 413 58 59 VAL HB H 3.040 . 1 414 58 59 VAL HG1 H 0.675 . 2 415 58 59 VAL CA C 67.222 . 1 416 58 59 VAL CB C 30.291 . 1 417 58 59 VAL N N 118.223 . 1 418 59 60 GLN H H 8.074 . 1 419 59 60 GLN HA H 3.665 . 1 420 59 60 GLN HB2 H 1.953 . 2 421 59 60 GLN CA C 58.196 . 1 422 59 60 GLN CB C 27.238 . 1 423 59 60 GLN CG C 33.190 . 1 424 59 60 GLN N N 118.724 . 1 425 60 61 LYS H H 7.835 . 1 426 60 61 LYS HA H 3.864 . 1 427 60 61 LYS HB2 H 1.811 . 2 428 60 61 LYS HG2 H 1.099 . 2 429 60 61 LYS HG3 H 1.314 . 2 430 60 61 LYS HD2 H 1.410 . 2 431 60 61 LYS CA C 58.807 . 1 432 60 61 LYS CB C 31.322 . 1 433 60 61 LYS CG C 24.773 . 1 434 60 61 LYS CD C 29.269 . 1 435 60 61 LYS N N 122.835 . 1 436 61 62 PHE H H 7.308 . 1 437 61 62 PHE HA H 4.314 . 1 438 61 62 PHE HB2 H 3.060 . 2 439 61 62 PHE HB3 H 2.397 . 2 440 61 62 PHE CA C 57.627 . 1 441 61 62 PHE CB C 39.340 . 1 442 61 62 PHE N N 116.795 . 1 443 62 63 GLY H H 7.462 . 1 444 62 63 GLY HA2 H 4.271 . 2 445 62 63 GLY HA3 H 3.617 . 2 446 62 63 GLY CA C 45.146 . 1 447 62 63 GLY N N 105.339 . 1 448 63 64 GLY H H 8.286 . 1 449 63 64 GLY HA2 H 4.517 . 2 450 63 64 GLY HA3 H 3.258 . 2 451 63 64 GLY CA C 43.782 . 1 452 63 64 GLY N N 111.067 . 1 453 64 65 ALA H H 9.279 . 1 454 64 65 ALA HA H 3.434 . 1 455 64 65 ALA HB H 1.543 . 1 456 64 65 ALA CA C 56.322 . 1 457 64 65 ALA CB C 20.449 . 1 458 64 65 ALA N N 122.957 . 1 459 65 66 ASP H H 9.423 . 1 460 65 66 ASP HA H 4.495 . 1 461 65 66 ASP HB2 H 2.622 . 2 462 65 66 ASP CA C 57.867 . 1 463 65 66 ASP CB C 39.915 . 1 464 65 66 ASP N N 118.879 . 1 465 66 67 GLN H H 7.965 . 1 466 66 67 GLN HA H 4.086 . 1 467 66 67 GLN HG2 H 2.529 . 2 468 66 67 GLN HG3 H 2.260 . 2 469 66 67 GLN CA C 58.617 . 1 470 66 67 GLN CB C 27.576 . 1 471 66 67 GLN CG C 33.125 . 1 472 66 67 GLN N N 121.371 . 1 473 67 68 VAL H H 8.051 . 1 474 67 68 VAL HA H 4.742 . 1 475 67 68 VAL HB H 3.000 . 1 476 67 68 VAL HG1 H 0.358 . 2 477 67 68 VAL CA C 66.768 . 1 478 67 68 VAL CB C 31.401 . 1 479 67 68 VAL CG1 C 19.543 . 2 480 67 68 VAL CG2 C 24.827 . 2 481 67 68 VAL N N 122.318 . 1 482 68 69 THR H H 8.517 . 1 483 68 69 THR HA H 4.213 . 1 484 68 69 THR HB H 4.535 . 1 485 68 69 THR HG2 H 1.445 . 1 486 68 69 THR CA C 67.376 . 1 487 68 69 THR CB C 68.990 . 1 488 68 69 THR CG2 C 21.701 . 1 489 68 69 THR N N 116.517 . 1 490 69 70 ARG H H 8.699 . 1 491 69 70 ARG HA H 4.151 . 1 492 69 70 ARG HB2 H 1.947 . 2 493 69 70 ARG HG2 H 1.709 . 2 494 69 70 ARG HD2 H 3.179 . 2 495 69 70 ARG CA C 59.634 . 1 496 69 70 ARG CB C 30.427 . 1 497 69 70 ARG CG C 27.859 . 1 498 69 70 ARG CD C 43.240 . 1 499 69 70 ARG N N 123.067 . 1 500 70 71 THR H H 7.667 . 1 501 70 71 THR HA H 4.319 . 1 502 70 71 THR HG2 H 1.200 . 1 503 70 71 THR CA C 61.492 . 1 504 70 71 THR CB C 69.613 . 1 505 70 71 THR CG2 C 21.804 . 1 506 70 71 THR N N 107.023 . 1 507 71 72 GLN H H 7.750 . 1 508 71 72 GLN HA H 4.187 . 1 509 71 72 GLN HB2 H 2.257 . 2 510 71 72 GLN HB3 H 2.315 . 2 511 71 72 GLN CA C 56.794 . 1 512 71 72 GLN CB C 26.029 . 1 513 71 72 GLN CG C 34.644 . 1 514 71 72 GLN N N 118.170 . 1 515 72 73 GLN H H 8.462 . 1 516 72 73 GLN HA H 4.545 . 1 517 72 73 GLN HB2 H 3.006 . 2 518 72 73 GLN CA C 55.746 . 1 519 72 73 GLN CB C 30.020 . 1 520 72 73 GLN N N 115.169 . 1 521 73 74 TRP H H 10.402 . 1 522 73 74 TRP HB2 H 3.302 . 2 523 73 74 TRP HB3 H 3.784 . 2 524 73 74 TRP CA C 61.694 . 1 525 73 74 TRP CB C 28.332 . 1 526 73 74 TRP N N 129.729 . 1 527 74 75 SER H H 8.339 . 1 528 74 75 SER HA H 3.653 . 1 529 74 75 SER HB2 H 3.169 . 2 530 74 75 SER HB3 H 2.837 . 2 531 74 75 SER CA C 60.915 . 1 532 74 75 SER N N 113.459 . 1 533 75 76 MET H H 6.934 . 1 534 75 76 MET HA H 4.163 . 1 535 75 76 MET HB2 H 2.470 . 2 536 75 76 MET HG2 H 1.998 . 2 537 75 76 MET CA C 58.173 . 1 538 75 76 MET CB C 31.370 . 1 539 75 76 MET CG C 31.835 . 1 540 75 76 MET N N 123.109 . 1 541 76 77 VAL H H 7.393 . 1 542 76 77 VAL HA H 3.092 . 1 543 76 77 VAL HG1 H 0.131 . 2 544 76 77 VAL HG2 H 0.715 . 2 545 76 77 VAL CA C 66.645 . 1 546 76 77 VAL CG1 C 21.818 . 2 547 76 77 VAL N N 120.477 . 1 548 77 78 ALA H H 8.252 . 1 549 77 78 ALA HA H 4.160 . 1 550 77 78 ALA HB H 1.574 . 1 551 77 78 ALA CA C 55.692 . 1 552 77 78 ALA CB C 18.251 . 1 553 77 78 ALA N N 118.481 . 1 554 78 79 GLN H H 8.114 . 1 555 78 79 GLN HA H 4.040 . 1 556 78 79 GLN HB2 H 2.197 . 2 557 78 79 GLN HG2 H 2.527 . 2 558 78 79 GLN HG3 H 2.368 . 2 559 78 79 GLN CA C 59.218 . 1 560 78 79 GLN CB C 28.353 . 1 561 78 79 GLN CG C 34.103 . 1 562 78 79 GLN N N 118.364 . 1 563 79 80 ARG H H 7.716 . 1 564 79 80 ARG HA H 4.093 . 1 565 79 80 ARG HB2 H 2.053 . 2 566 79 80 ARG HB3 H 1.909 . 2 567 79 80 ARG HG2 H 1.788 . 2 568 79 80 ARG HD2 H 3.226 . 2 569 79 80 ARG CA C 57.748 . 1 570 79 80 ARG CB C 29.473 . 1 571 79 80 ARG CG C 27.651 . 1 572 79 80 ARG CD C 42.323 . 1 573 79 80 ARG N N 119.035 . 1 574 80 81 LEU H H 7.361 . 1 575 80 81 LEU HA H 4.379 . 1 576 80 81 LEU HB2 H 1.828 . 2 577 80 81 LEU HB3 H 1.614 . 2 578 80 81 LEU HD2 H 0.831 . 2 579 80 81 LEU CA C 54.391 . 1 580 80 81 LEU CB C 42.669 . 1 581 80 81 LEU CG C 27.522 . 1 582 80 81 LEU N N 118.255 . 1 583 81 82 GLN H H 7.856 . 1 584 81 82 GLN HA H 3.846 . 1 585 81 82 GLN HB2 H 2.253 . 2 586 81 82 GLN HB3 H 2.208 . 2 587 81 82 GLN CA C 57.186 . 1 588 81 82 GLN CB C 25.875 . 1 589 81 82 GLN CG C 34.480 . 1 590 81 82 GLN N N 114.871 . 1 591 82 83 ILE H H 8.068 . 1 592 82 83 ILE HA H 4.297 . 1 593 82 83 ILE HB H 1.531 . 1 594 82 83 ILE HD1 H 0.809 . 1 595 82 83 ILE CA C 59.225 . 1 596 82 83 ILE CB C 40.216 . 1 597 82 83 ILE CG1 C 18.737 . 1 598 82 83 ILE CD1 C 14.400 . 1 599 82 83 ILE N N 119.417 . 1 600 83 84 SER H H 8.606 . 1 601 83 84 SER HA H 4.393 . 1 602 83 84 SER HB2 H 3.874 . 2 603 83 84 SER CA C 59.700 . 1 604 83 84 SER CB C 63.871 . 1 605 83 84 SER N N 120.857 . 1 606 84 85 ASP H H 7.341 . 1 607 84 85 ASP HA H 4.751 . 1 608 84 85 ASP HB2 H 2.839 . 2 609 84 85 ASP HB3 H 2.356 . 2 610 84 85 ASP CA C 52.334 . 1 611 84 85 ASP CB C 39.553 . 1 612 84 85 ASP N N 121.817 . 1 613 85 86 TYR H H 7.717 . 1 614 85 86 TYR HB2 H 2.762 . 2 615 85 86 TYR CA C 58.826 . 1 616 85 86 TYR CB C 38.187 . 1 617 85 86 TYR N N 121.982 . 1 618 86 87 GLN H H 8.129 . 1 619 86 87 GLN HA H 3.952 . 1 620 86 87 GLN HB3 H 1.806 . 2 621 86 87 GLN HG2 H 2.094 . 2 622 86 87 GLN HG3 H 1.837 . 2 623 86 87 GLN CA C 58.803 . 1 624 86 87 GLN CB C 27.719 . 1 625 86 87 GLN CG C 34.545 . 1 626 86 87 GLN N N 124.207 . 1 627 87 88 GLN H H 7.701 . 1 628 87 88 GLN HA H 4.004 . 1 629 87 88 GLN HB2 H 1.893 . 2 630 87 88 GLN HG2 H 2.394 . 2 631 87 88 GLN HG3 H 2.230 . 2 632 87 88 GLN CA C 58.039 . 1 633 87 88 GLN CB C 28.341 . 1 634 87 88 GLN CG C 34.462 . 1 635 87 88 GLN N N 120.112 . 1 636 88 89 LEU H H 7.394 . 1 637 88 89 LEU HB2 H 1.568 . 2 638 88 89 LEU HD1 H 0.849 . 2 639 88 89 LEU CA C 55.466 . 1 640 88 89 LEU CB C 38.091 . 1 641 88 89 LEU CG C 27.368 . 1 642 88 89 LEU CD1 C 24.861 . 2 643 88 89 LEU N N 120.265 . 1 644 89 90 GLU H H 8.067 . 1 645 89 90 GLU HB2 H 2.095 . 2 646 89 90 GLU HG2 H 1.222 . 2 647 89 90 GLU HG3 H 0.869 . 2 648 89 90 GLU CA C 58.970 . 1 649 89 90 GLU CB C 28.961 . 1 650 89 90 GLU CG C 34.408 . 1 651 89 90 GLU N N 119.728 . 1 652 90 91 SER H H 7.290 . 1 653 90 91 SER HA H 3.850 . 1 654 90 91 SER CA C 61.428 . 1 655 90 91 SER CB C 63.018 . 1 656 90 91 SER N N 112.845 . 1 657 91 92 ILE H H 8.211 . 1 658 91 92 ILE HA H 3.682 . 1 659 91 92 ILE HB H 1.915 . 1 660 91 92 ILE HD1 H 0.763 . 1 661 91 92 ILE CA C 65.021 . 1 662 91 92 ILE CD1 C 17.050 . 1 663 91 92 ILE N N 121.933 . 1 664 92 93 TYR H H 8.656 . 1 665 92 93 TYR HA H 3.608 . 1 666 92 93 TYR HB2 H 3.236 . 2 667 92 93 TYR HB3 H 2.776 . 2 668 92 93 TYR CA C 63.381 . 1 669 92 93 TYR CB C 39.528 . 1 670 92 93 TYR N N 121.166 . 1 671 93 94 PHE H H 8.991 . 1 672 93 94 PHE HA H 4.225 . 1 673 93 94 PHE HB2 H 3.134 . 2 674 93 94 PHE HB3 H 3.296 . 2 675 93 94 PHE CA C 61.749 . 1 676 93 94 PHE CB C 38.690 . 1 677 93 94 PHE N N 119.303 . 1 678 94 95 ARG H H 7.942 . 1 679 94 95 ARG HA H 4.123 . 1 680 94 95 ARG HB2 H 1.901 . 2 681 94 95 ARG HD2 H 3.186 . 2 682 94 95 ARG CA C 58.729 . 1 683 94 95 ARG CB C 31.456 . 1 684 94 95 ARG CD C 43.727 . 1 685 94 95 ARG N N 115.951 . 1 686 95 96 ILE H H 8.162 . 1 687 95 96 ILE HA H 4.002 . 1 688 95 96 ILE HB H 1.587 . 1 689 95 96 ILE HD1 H 0.754 . 1 690 95 96 ILE CA C 63.136 . 1 691 95 96 ILE CB C 39.877 . 1 692 95 96 ILE CG1 C 18.182 . 1 693 95 96 ILE N N 114.255 . 1 694 96 97 LEU H H 7.636 . 1 695 96 97 LEU CA C 55.358 . 1 696 96 97 LEU CB C 42.828 . 1 697 96 97 LEU N N 116.474 . 1 698 97 98 LEU H H 8.341 . 1 699 97 98 LEU CB C 40.466 . 1 700 97 98 LEU N N 123.072 . 1 701 98 99 PRO HA H 4.266 . 1 702 98 99 PRO CA C 65.784 . 1 703 98 99 PRO CB C 30.601 . 1 704 99 100 TYR H H 6.766 . 1 705 99 100 TYR HA H 4.081 . 1 706 99 100 TYR HB2 H 2.712 . 2 707 99 100 TYR CA C 61.338 . 1 708 99 100 TYR CB C 38.655 . 1 709 99 100 TYR N N 118.341 . 1 710 100 101 GLU H H 9.032 . 1 711 100 101 GLU HA H 4.265 . 1 712 100 101 GLU HB2 H 2.629 . 2 713 100 101 GLU CA C 59.661 . 1 714 100 101 GLU CB C 30.487 . 1 715 100 101 GLU CG C 36.597 . 1 716 100 101 GLU N N 121.690 . 1 717 101 102 ARG H H 8.485 . 1 718 101 102 ARG HA H 3.978 . 1 719 101 102 ARG HB2 H 2.150 . 2 720 101 102 ARG HB3 H 1.820 . 2 721 101 102 ARG HG2 H 1.329 . 2 722 101 102 ARG HG3 H 1.014 . 2 723 101 102 ARG HD2 H 3.153 . 2 724 101 102 ARG CA C 58.879 . 1 725 101 102 ARG CB C 29.629 . 1 726 101 102 ARG CG C 27.673 . 1 727 101 102 ARG CD C 43.107 . 1 728 101 102 ARG N N 115.465 . 1 729 102 103 HIS H H 7.716 . 1 730 102 103 HIS HA H 4.337 . 1 731 102 103 HIS HB2 H 3.122 . 2 732 102 103 HIS CA C 58.779 . 1 733 102 103 HIS CB C 30.112 . 1 734 102 103 HIS N N 119.857 . 1 735 103 104 MET H H 8.311 . 1 736 103 104 MET CA C 56.527 . 1 737 103 104 MET CB C 32.237 . 1 738 103 104 MET N N 118.353 . 1 739 104 105 ILE H H 8.022 . 1 740 104 105 ILE HA H 4.024 . 1 741 104 105 ILE HB H 1.956 . 1 742 104 105 ILE HG12 H 1.334 . 2 743 104 105 ILE HG2 H 1.625 . 1 744 104 105 ILE HD1 H 0.885 . 1 745 104 105 ILE CA C 59.440 . 1 746 104 105 ILE CB C 38.023 . 1 747 104 105 ILE CG1 C 28.342 . 1 748 104 105 ILE CG2 C 17.743 . 1 749 104 105 ILE CD1 C 13.551 . 1 750 104 105 ILE N N 119.042 . 1 751 105 106 SER H H 7.743 . 1 752 105 106 SER CA C 59.654 . 1 753 105 106 SER CB C 64.003 . 1 754 105 106 SER N N 117.085 . 1 755 106 107 GLN H H 8.170 . 1 756 106 107 GLN HA H 4.078 . 1 757 106 107 GLN HB2 H 2.037 . 2 758 106 107 GLN HB3 H 1.989 . 2 759 106 107 GLN HG2 H 2.192 . 2 760 106 107 GLN CA C 57.055 . 1 761 106 107 GLN CB C 28.846 . 1 762 106 107 GLN CG C 33.963 . 1 763 106 107 GLN N N 120.293 . 1 764 107 108 GLU H H 8.140 . 1 765 107 108 GLU HA H 4.105 . 1 766 107 108 GLU HB2 H 2.246 . 2 767 107 108 GLU HB3 H 2.007 . 2 768 107 108 GLU CA C 57.894 . 1 769 107 108 GLU CB C 29.604 . 1 770 107 108 GLU CG C 36.214 . 1 771 107 108 GLU N N 119.817 . 1 772 108 109 GLY H H 8.088 . 1 773 108 109 GLY HA2 H 3.847 . 2 774 108 109 GLY CA C 45.815 . 1 775 108 109 GLY N N 109.710 . 1 776 109 110 ILE H H 7.933 . 1 777 109 110 ILE HA H 3.956 . 1 778 109 110 ILE HB H 1.811 . 1 779 109 110 ILE HG12 H 1.126 . 2 780 109 110 ILE HG13 H 1.486 . 2 781 109 110 ILE HG2 H 0.840 . 1 782 109 110 ILE CA C 62.531 . 1 783 109 110 ILE CB C 38.231 . 1 784 109 110 ILE CG1 C 28.450 . 1 785 109 110 ILE CG2 C 17.497 . 1 786 109 110 ILE CD1 C 13.115 . 1 787 109 110 ILE N N 121.188 . 1 788 110 111 LYS H H 8.181 . 1 789 110 111 LYS HA H 4.167 . 1 790 110 111 LYS HB2 H 1.806 . 2 791 110 111 LYS HD2 H 1.443 . 2 792 110 111 LYS HD3 H 1.630 . 2 793 110 111 LYS HE2 H 2.921 . 2 794 110 111 LYS CA C 57.521 . 1 795 110 111 LYS CB C 32.642 . 1 796 110 111 LYS CG C 25.018 . 1 797 110 111 LYS CD C 29.124 . 1 798 110 111 LYS N N 123.214 . 1 799 111 112 GLU H H 8.325 . 1 800 111 112 GLU HA H 4.220 . 1 801 111 112 GLU HB2 H 2.262 . 2 802 111 112 GLU HB3 H 2.022 . 2 803 111 112 GLU CA C 57.617 . 1 804 111 112 GLU CB C 29.821 . 1 805 111 112 GLU CG C 36.330 . 1 806 111 112 GLU N N 121.270 . 1 807 112 113 THR H H 8.181 . 1 808 112 113 THR HB H 4.185 . 1 809 112 113 THR HG2 H 1.164 . 1 810 112 113 THR CA C 63.525 . 1 811 112 113 THR CB C 69.431 . 1 812 112 113 THR CG2 C 21.827 . 1 813 112 113 THR N N 115.616 . 1 814 113 114 GLN H H 8.302 . 1 815 113 114 GLN HA H 4.163 . 1 816 113 114 GLN HB2 H 2.034 . 2 817 113 114 GLN HB3 H 2.233 . 2 818 113 114 GLN HG2 H 2.332 . 2 819 113 114 GLN CA C 56.902 . 1 820 113 114 GLN CB C 28.798 . 1 821 113 114 GLN CG C 33.875 . 1 822 113 114 GLN N N 121.848 . 1 823 114 115 ALA H H 8.161 . 1 824 114 115 ALA HA H 4.200 . 1 825 114 115 ALA HB H 1.386 . 1 826 114 115 ALA CA C 53.322 . 1 827 114 115 ALA CB C 18.732 . 1 828 114 115 ALA N N 123.401 . 1 829 115 116 LYS H H 8.062 . 1 830 115 116 LYS HA H 4.330 . 1 831 115 116 LYS HB2 H 1.633 . 2 832 115 116 LYS HB3 H 1.705 . 2 833 115 116 LYS HG2 H 1.433 . 2 834 115 116 LYS CA C 56.688 . 1 835 115 116 LYS CB C 32.849 . 1 836 115 116 LYS CG C 25.815 . 1 837 115 116 LYS N N 119.441 . 1 838 116 117 ARG H H 8.328 . 1 839 116 117 ARG CA C 59.526 . 1 840 116 117 ARG N N 123.509 . 1 stop_ save_