data_17199 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Rap1-Taz1 fusion protein ; _BMRB_accession_number 17199 _BMRB_flat_file_name bmr17199.str _Entry_type original _Submission_date 2010-09-19 _Accession_date 2010-09-19 _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 Zhou Zi-ren . . 2 Wang Feng . . 3 Chen Yong . . 4 Lei Ming . . 5 Hu Hong-yu . . 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" 380 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-30 original author . stop_ _Original_release_date 2011-03-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21217703 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Yong . . 2 Rai Rekha . . 3 Zhou Zi-Ren . . 4 Kanoh Junko . . 5 Ribeyre Cyril . . 6 Yang Yuting . . 7 Zheng Hong . . 8 Damay Pascal . . 9 Wang Feng . . 10 Tsujii Hisayo . . 11 Hiraoka Yasushi . . 12 Shore David . . 13 Hu Hong-Yu . . 14 Chang Sandy . . 15 Lei Ming . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 18 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 213 _Page_last 221 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name spRT6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label spRT6 $spRT6 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_spRT6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common spRT6 _Molecular_mass 11117.421 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; SVSILRSSVNHREVDEAIDN ILRYTNSTEQQFLEAMESTG GRVRIAIAKLLSKQTSGGSG GSKLGGSGGSRKDLSVKGML YDSDSQQILNRLRERVSGST AQSA ; loop_ _Residue_seq_code _Residue_label 1 SER 2 VAL 3 SER 4 ILE 5 LEU 6 ARG 7 SER 8 SER 9 VAL 10 ASN 11 HIS 12 ARG 13 GLU 14 VAL 15 ASP 16 GLU 17 ALA 18 ILE 19 ASP 20 ASN 21 ILE 22 LEU 23 ARG 24 TYR 25 THR 26 ASN 27 SER 28 THR 29 GLU 30 GLN 31 GLN 32 PHE 33 LEU 34 GLU 35 ALA 36 MET 37 GLU 38 SER 39 THR 40 GLY 41 GLY 42 ARG 43 VAL 44 ARG 45 ILE 46 ALA 47 ILE 48 ALA 49 LYS 50 LEU 51 LEU 52 SER 53 LYS 54 GLN 55 THR 56 SER 57 GLY 58 GLY 59 SER 60 GLY 61 GLY 62 SER 63 LYS 64 LEU 65 GLY 66 GLY 67 SER 68 GLY 69 GLY 70 SER 71 ARG 72 LYS 73 ASP 74 LEU 75 SER 76 VAL 77 LYS 78 GLY 79 MET 80 LEU 81 TYR 82 ASP 83 SER 84 ASP 85 SER 86 GLN 87 GLN 88 ILE 89 LEU 90 ASN 91 ARG 92 LEU 93 ARG 94 GLU 95 ARG 96 VAL 97 SER 98 GLY 99 SER 100 THR 101 ALA 102 GLN 103 SER 104 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2L3N "Solution Structure Of Rap1-Taz1 Fusion Protein" 100.00 104 100.00 100.00 1.12e-64 DBJ BAB70735 "Rap1 [Schizosaccharomyces pombe]" 52.88 693 100.00 100.00 1.27e-26 EMBL CAC39280 "telomere binding protein Rap1 [Schizosaccharomyces pombe]" 52.88 693 100.00 100.00 1.27e-26 GB AAK57740 "Rap1 [Schizosaccharomyces pombe]" 52.88 693 100.00 100.00 1.27e-26 PIR T39684 "hypothetical protein SPBC1778.02 - fission yeast (Schizosaccharomyces pombe)" 52.88 612 100.00 100.00 8.85e-27 REF NP_596285 "telomere binding protein Rap1 [Schizosaccharomyces pombe 972h-]" 52.88 693 100.00 100.00 1.27e-26 SP Q96TL7 "RecName: Full=DNA-binding protein rap1" 52.88 693 100.00 100.00 1.27e-26 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Organism_acronym _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $spRT6 fission yeast 4896 . Eukaryota Fungi Schizosaccharomyces pombe 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 $spRT6 'recombinant technology' . Escherichia coli . pET-28a-SUMO 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 $spRT6 1.1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $spRT6 0.6 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_2D_1H-15N_IPAP_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _Sample_label $sample_2 save_ save_3D_CCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _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' 0.07 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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 HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACO' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNHA' '3D CCH-COSY' 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 spRT6 _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 2 VAL HA H 4.257 0.004 1 2 2 2 VAL HB H 2.119 0.002 1 3 2 2 VAL HG1 H 0.969 0.003 2 4 2 2 VAL HG2 H 0.970 0.004 2 5 2 2 VAL C C 175.964 0.018 1 6 2 2 VAL CA C 62.318 0.037 1 7 2 2 VAL CB C 32.925 0.053 1 8 2 2 VAL CG1 C 20.985 0.101 2 9 2 2 VAL CG2 C 20.455 0.062 2 10 3 3 SER H H 8.495 0.002 1 11 3 3 SER HA H 4.527 0.006 1 12 3 3 SER HB2 H 3.838 0.001 2 13 3 3 SER C C 174.155 0.012 1 14 3 3 SER CA C 58.310 0.178 1 15 3 3 SER CB C 63.915 0.018 1 16 3 3 SER N N 120.215 0.017 1 17 4 4 ILE H H 8.275 0.006 1 18 4 4 ILE HA H 4.236 0.004 1 19 4 4 ILE HB H 1.918 0.003 1 20 4 4 ILE HD1 H 0.878 0.005 1 21 4 4 ILE HG12 H 1.458 0.034 2 22 4 4 ILE HG13 H 1.191 0.002 2 23 4 4 ILE HG2 H 0.934 0.004 1 24 4 4 ILE C C 175.226 0.000 1 25 4 4 ILE CA C 61.306 0.032 1 26 4 4 ILE CB C 38.763 0.030 1 27 4 4 ILE CD1 C 13.002 0.069 1 28 4 4 ILE CG1 C 27.130 0.051 1 29 4 4 ILE CG2 C 17.578 0.027 1 30 4 4 ILE N N 123.584 0.020 1 31 5 5 LEU H H 7.875 0.001 1 32 5 5 LEU HA H 4.206 0.016 1 33 5 5 LEU HB2 H 1.603 0.098 2 34 5 5 LEU HD1 H 0.924 0.005 2 35 5 5 LEU HD2 H 0.869 0.013 2 36 5 5 LEU HG H 1.639 0.030 1 37 5 5 LEU C C 182.306 0.000 1 38 5 5 LEU CA C 56.823 0.035 1 39 5 5 LEU CB C 43.452 0.033 1 40 5 5 LEU CD1 C 25.049 0.030 2 41 5 5 LEU CD2 C 23.552 0.052 2 42 5 5 LEU CG C 27.119 0.059 1 43 5 5 LEU N N 131.566 0.010 1 44 7 7 SER HA H 4.592 0.002 1 45 7 7 SER HB2 H 3.909 0.003 2 46 7 7 SER C C 174.302 0.000 1 47 7 7 SER CA C 58.365 0.049 1 48 7 7 SER CB C 63.936 0.018 1 49 8 8 SER H H 8.641 0.002 1 50 8 8 SER HA H 4.511 0.024 1 51 8 8 SER HB2 H 3.908 0.005 2 52 8 8 SER C C 174.438 0.115 1 53 8 8 SER CA C 58.402 0.091 1 54 8 8 SER CB C 63.923 0.038 1 55 8 8 SER N N 118.634 0.026 1 56 9 9 VAL H H 8.241 0.003 1 57 9 9 VAL HA H 4.093 0.004 1 58 9 9 VAL HB H 2.008 0.004 1 59 9 9 VAL HG1 H 0.903 0.019 2 60 9 9 VAL HG2 H 0.848 0.010 2 61 9 9 VAL C C 175.674 0.001 1 62 9 9 VAL CA C 62.503 0.020 1 63 9 9 VAL CB C 32.741 0.092 1 64 9 9 VAL CG1 C 20.633 0.129 2 65 9 9 VAL CG2 C 21.006 0.077 2 66 9 9 VAL N N 121.548 0.034 1 67 10 10 ASN H H 8.495 0.003 1 68 10 10 ASN HA H 4.702 0.004 1 69 10 10 ASN HB2 H 2.844 0.022 2 70 10 10 ASN HB3 H 2.810 0.002 2 71 10 10 ASN C C 175.617 0.000 1 72 10 10 ASN CA C 53.099 0.023 1 73 10 10 ASN CB C 38.884 0.030 1 74 10 10 ASN N N 122.176 0.018 1 75 11 11 HIS HA H 4.664 0.009 1 76 11 11 HIS HB2 H 3.197 0.080 2 77 11 11 HIS HB3 H 3.100 0.067 2 78 11 11 HIS HD2 H 7.136 0.000 1 79 11 11 HIS C C 175.627 0.000 1 80 11 11 HIS CA C 56.831 0.036 1 81 11 11 HIS CB C 29.548 0.073 1 82 12 12 ARG H H 8.209 0.004 1 83 12 12 ARG HA H 4.201 0.007 1 84 12 12 ARG HB2 H 1.909 0.012 2 85 12 12 ARG HD2 H 3.254 0.031 2 86 12 12 ARG HG2 H 1.635 0.025 2 87 12 12 ARG C C 178.337 0.005 1 88 12 12 ARG CA C 59.331 0.033 1 89 12 12 ARG CB C 30.121 0.093 1 90 12 12 ARG CD C 43.438 0.135 1 91 12 12 ARG CG C 27.067 0.098 1 92 12 12 ARG N N 121.109 0.012 1 93 13 13 GLU H H 8.587 0.012 1 94 13 13 GLU HA H 4.113 0.006 1 95 13 13 GLU HB2 H 2.119 0.009 2 96 13 13 GLU HG2 H 2.360 0.007 2 97 13 13 GLU C C 179.474 0.018 1 98 13 13 GLU CA C 59.650 0.106 1 99 13 13 GLU CB C 29.254 0.074 1 100 13 13 GLU CG C 36.967 0.104 1 101 13 13 GLU N N 119.284 0.018 1 102 14 14 VAL H H 8.049 0.007 1 103 14 14 VAL HA H 3.867 0.010 1 104 14 14 VAL HB H 2.102 0.049 1 105 14 14 VAL HG1 H 1.008 0.015 2 106 14 14 VAL HG2 H 0.997 0.010 2 107 14 14 VAL C C 177.203 0.000 1 108 14 14 VAL CA C 65.622 0.067 1 109 14 14 VAL CB C 31.695 0.092 1 110 14 14 VAL CG1 C 22.873 0.057 2 111 14 14 VAL CG2 C 21.640 0.060 2 112 14 14 VAL N N 120.503 0.021 1 113 15 15 ASP H H 8.290 0.060 1 114 15 15 ASP HA H 4.445 0.030 1 115 15 15 ASP HB2 H 2.771 0.077 2 116 15 15 ASP HB3 H 2.637 0.007 2 117 15 15 ASP C C 178.178 0.017 1 118 15 15 ASP CA C 58.186 0.024 1 119 15 15 ASP CB C 39.871 0.116 1 120 15 15 ASP N N 120.974 0.036 1 121 16 16 GLU H H 8.087 0.003 1 122 16 16 GLU HA H 4.103 0.037 1 123 16 16 GLU HB2 H 2.122 0.003 2 124 16 16 GLU HG2 H 2.454 0.003 2 125 16 16 GLU C C 178.633 0.049 1 126 16 16 GLU CA C 59.559 0.051 1 127 16 16 GLU CB C 29.553 0.005 1 128 16 16 GLU CG C 36.645 0.000 1 129 16 16 GLU N N 119.666 0.015 1 130 17 17 ALA H H 7.724 0.004 1 131 17 17 ALA HA H 4.227 0.008 1 132 17 17 ALA HB H 1.516 0.008 1 133 17 17 ALA C C 180.388 0.003 1 134 17 17 ALA CA C 55.411 0.042 1 135 17 17 ALA CB C 18.072 0.035 1 136 17 17 ALA N N 122.086 0.009 1 137 18 18 ILE H H 8.403 0.012 1 138 18 18 ILE HA H 3.588 0.056 1 139 18 18 ILE HB H 2.110 0.004 1 140 18 18 ILE HD1 H 0.979 0.008 1 141 18 18 ILE HG12 H 0.913 0.007 2 142 18 18 ILE HG2 H 0.977 0.004 1 143 18 18 ILE C C 177.226 0.018 1 144 18 18 ILE CA C 66.643 0.016 1 145 18 18 ILE CB C 38.780 0.035 1 146 18 18 ILE CD1 C 14.440 0.035 1 147 18 18 ILE CG1 C 31.206 0.049 1 148 18 18 ILE CG2 C 17.568 0.026 1 149 18 18 ILE N N 117.325 0.012 1 150 19 19 ASP H H 8.925 0.007 1 151 19 19 ASP HA H 4.332 0.010 1 152 19 19 ASP HB2 H 2.766 0.081 2 153 19 19 ASP HB3 H 2.637 0.004 2 154 19 19 ASP C C 179.418 0.016 1 155 19 19 ASP CA C 58.131 0.023 1 156 19 19 ASP CB C 39.551 0.058 1 157 19 19 ASP N N 120.529 0.020 1 158 20 20 ASN H H 8.428 0.008 1 159 20 20 ASN HA H 4.498 0.067 1 160 20 20 ASN HB2 H 3.118 0.005 2 161 20 20 ASN HB3 H 2.782 0.010 2 162 20 20 ASN C C 178.046 0.016 1 163 20 20 ASN CA C 56.283 0.038 1 164 20 20 ASN CB C 38.358 0.035 1 165 20 20 ASN N N 118.997 0.009 1 166 21 21 ILE H H 8.135 0.007 1 167 21 21 ILE HA H 3.488 0.009 1 168 21 21 ILE HB H 1.802 0.008 1 169 21 21 ILE HD1 H 0.770 0.008 1 170 21 21 ILE HG12 H 0.796 0.065 2 171 21 21 ILE HG2 H -0.022 0.004 1 172 21 21 ILE C C 179.663 0.005 1 173 21 21 ILE CA C 65.935 0.028 1 174 21 21 ILE CB C 37.769 0.031 1 175 21 21 ILE CD1 C 14.142 0.027 1 176 21 21 ILE CG1 C 30.124 0.019 1 177 21 21 ILE CG2 C 17.336 0.020 1 178 21 21 ILE N N 122.683 0.013 1 179 22 22 LEU H H 8.937 0.003 1 180 22 22 LEU HA H 3.654 0.007 1 181 22 22 LEU HB2 H 1.887 0.116 2 182 22 22 LEU HB3 H 1.737 0.072 2 183 22 22 LEU HD1 H 0.910 0.007 2 184 22 22 LEU HD2 H 0.551 0.004 2 185 22 22 LEU HG H 2.135 0.004 1 186 22 22 LEU C C 179.244 0.024 1 187 22 22 LEU CA C 58.531 0.016 1 188 22 22 LEU CB C 39.477 0.029 1 189 22 22 LEU CD1 C 26.667 0.049 2 190 22 22 LEU CD2 C 22.949 0.035 2 191 22 22 LEU CG C 25.486 0.099 1 192 22 22 LEU N N 123.051 0.012 1 193 23 23 ARG H H 7.885 0.008 1 194 23 23 ARG HA H 4.201 0.005 1 195 23 23 ARG HB2 H 1.995 0.022 2 196 23 23 ARG HB3 H 1.963 0.006 2 197 23 23 ARG HD2 H 3.279 0.035 2 198 23 23 ARG HG2 H 1.800 0.072 2 199 23 23 ARG C C 179.462 0.030 1 200 23 23 ARG CA C 59.249 0.030 1 201 23 23 ARG CB C 30.428 0.068 1 202 23 23 ARG CD C 43.385 0.058 1 203 23 23 ARG CG C 27.822 0.066 1 204 23 23 ARG N N 117.229 0.022 1 205 24 24 TYR H H 8.345 0.005 1 206 24 24 TYR HA H 4.361 0.010 1 207 24 24 TYR HB2 H 3.325 0.004 2 208 24 24 TYR HB3 H 2.916 0.026 2 209 24 24 TYR C C 176.656 0.018 1 210 24 24 TYR CA C 60.607 0.094 1 211 24 24 TYR CB C 39.486 0.039 1 212 24 24 TYR N N 119.468 0.021 1 213 25 25 THR H H 7.875 0.004 1 214 25 25 THR HA H 4.064 0.004 1 215 25 25 THR HB H 4.179 0.006 1 216 25 25 THR HG2 H 1.177 0.004 1 217 25 25 THR C C 174.264 0.020 1 218 25 25 THR CA C 61.458 0.029 1 219 25 25 THR CB C 70.803 0.017 1 220 25 25 THR CG2 C 22.658 0.042 1 221 25 25 THR N N 103.039 0.019 1 222 26 26 ASN H H 7.793 0.003 1 223 26 26 ASN HA H 4.460 0.037 1 224 26 26 ASN HB2 H 3.166 0.004 2 225 26 26 ASN HB3 H 2.616 0.005 2 226 26 26 ASN C C 174.080 0.040 1 227 26 26 ASN CA C 54.293 0.068 1 228 26 26 ASN CB C 37.710 0.035 1 229 26 26 ASN N N 121.980 0.007 1 230 27 27 SER H H 8.123 0.006 1 231 27 27 SER HA H 5.191 0.004 1 232 27 27 SER HB2 H 3.759 0.098 2 233 27 27 SER HB3 H 3.582 0.008 2 234 27 27 SER C C 173.325 0.026 1 235 27 27 SER CA C 57.573 0.054 1 236 27 27 SER CB C 66.658 0.021 1 237 27 27 SER N N 112.137 0.013 1 238 28 28 THR H H 8.376 0.007 1 239 28 28 THR HA H 4.692 0.008 1 240 28 28 THR HB H 4.810 0.009 1 241 28 28 THR HG2 H 1.277 0.005 1 242 28 28 THR C C 176.240 0.017 1 243 28 28 THR CA C 59.669 0.034 1 244 28 28 THR CB C 71.959 0.057 1 245 28 28 THR CG2 C 21.671 0.047 1 246 28 28 THR N N 109.858 0.014 1 247 29 29 GLU H H 9.520 0.006 1 248 29 29 GLU HA H 3.856 0.006 1 249 29 29 GLU HB2 H 2.069 0.110 2 250 29 29 GLU HB3 H 1.924 0.073 2 251 29 29 GLU HG2 H 2.366 0.088 2 252 29 29 GLU HG3 H 2.232 0.075 2 253 29 29 GLU C C 178.059 0.001 1 254 29 29 GLU CA C 60.884 0.066 1 255 29 29 GLU CB C 29.888 0.053 1 256 29 29 GLU CG C 37.663 0.058 1 257 29 29 GLU N N 120.741 0.011 1 258 30 30 GLN H H 8.718 0.005 1 259 30 30 GLN HA H 3.911 0.007 1 260 30 30 GLN HB2 H 2.123 0.103 2 261 30 30 GLN HB3 H 2.011 0.071 2 262 30 30 GLN HG2 H 2.510 0.031 2 263 30 30 GLN HG3 H 2.421 0.005 2 264 30 30 GLN C C 178.669 0.027 1 265 30 30 GLN CA C 59.922 0.050 1 266 30 30 GLN CB C 28.012 0.045 1 267 30 30 GLN CG C 34.024 0.033 1 268 30 30 GLN N N 117.618 0.019 1 269 31 31 GLN H H 7.804 0.002 1 270 31 31 GLN HA H 4.122 0.005 1 271 31 31 GLN HB2 H 2.452 0.009 2 272 31 31 GLN HB3 H 1.868 0.064 2 273 31 31 GLN HG2 H 2.508 0.015 2 274 31 31 GLN C C 180.009 0.006 1 275 31 31 GLN CA C 58.673 0.045 1 276 31 31 GLN CB C 28.644 0.047 1 277 31 31 GLN CG C 34.553 0.053 1 278 31 31 GLN N N 119.005 0.010 1 279 32 32 PHE H H 8.794 0.004 1 280 32 32 PHE HA H 4.796 0.006 1 281 32 32 PHE HB2 H 3.213 0.014 2 282 32 32 PHE HD1 H 7.231 0.000 3 283 32 32 PHE HE1 H 7.125 0.000 3 284 32 32 PHE C C 177.095 0.001 1 285 32 32 PHE CA C 57.507 0.067 1 286 32 32 PHE CB C 38.018 0.043 1 287 32 32 PHE N N 121.716 0.014 1 288 33 33 LEU H H 8.879 0.003 1 289 33 33 LEU HA H 3.772 0.004 1 290 33 33 LEU HB2 H 2.073 0.005 2 291 33 33 LEU HB3 H 1.319 0.006 2 292 33 33 LEU HD1 H 0.922 0.006 2 293 33 33 LEU HD2 H 0.837 0.026 2 294 33 33 LEU HG H 1.579 0.059 1 295 33 33 LEU C C 177.729 0.051 1 296 33 33 LEU CA C 58.776 0.020 1 297 33 33 LEU CB C 40.932 0.079 1 298 33 33 LEU CD1 C 26.657 0.087 2 299 33 33 LEU CD2 C 23.556 0.030 2 300 33 33 LEU CG C 27.031 0.108 1 301 33 33 LEU N N 121.859 0.007 1 302 34 34 GLU H H 8.262 0.003 1 303 34 34 GLU HA H 4.058 0.008 1 304 34 34 GLU HB2 H 2.127 0.005 2 305 34 34 GLU HG2 H 2.445 0.085 2 306 34 34 GLU HG3 H 2.381 0.095 2 307 34 34 GLU C C 179.827 0.013 1 308 34 34 GLU CA C 59.756 0.056 1 309 34 34 GLU CB C 29.255 0.054 1 310 34 34 GLU CG C 36.508 0.075 1 311 34 34 GLU N N 118.790 0.023 1 312 35 35 ALA H H 8.091 0.008 1 313 35 35 ALA HA H 4.219 0.063 1 314 35 35 ALA HB H 1.656 0.012 1 315 35 35 ALA C C 180.385 0.029 1 316 35 35 ALA CA C 55.385 0.033 1 317 35 35 ALA CB C 18.180 0.022 1 318 35 35 ALA N N 121.941 0.014 1 319 36 36 MET H H 8.642 0.007 1 320 36 36 MET HA H 4.067 0.008 1 321 36 36 MET HB2 H 2.366 0.007 2 322 36 36 MET HB3 H 1.565 0.007 2 323 36 36 MET HG2 H 2.107 0.006 2 324 36 36 MET HG3 H 1.581 0.009 2 325 36 36 MET C C 178.995 0.009 1 326 36 36 MET CA C 57.873 0.045 1 327 36 36 MET CB C 33.323 0.027 1 328 36 36 MET CG C 34.917 0.046 1 329 36 36 MET N N 118.387 0.014 1 330 37 37 GLU H H 9.017 0.004 1 331 37 37 GLU HA H 4.257 0.008 1 332 37 37 GLU HB2 H 2.064 0.006 2 333 37 37 GLU HG2 H 2.367 0.104 2 334 37 37 GLU HG3 H 2.260 0.114 2 335 37 37 GLU C C 180.158 0.017 1 336 37 37 GLU CA C 59.453 0.025 1 337 37 37 GLU CB C 29.091 0.033 1 338 37 37 GLU CG C 36.304 0.059 1 339 37 37 GLU N N 120.092 0.009 1 340 38 38 SER H H 8.144 0.010 1 341 38 38 SER HA H 4.504 0.004 1 342 38 38 SER HB2 H 4.106 0.015 2 343 38 38 SER HB3 H 4.090 0.000 2 344 38 38 SER C C 175.694 0.030 1 345 38 38 SER CA C 60.476 0.081 1 346 38 38 SER CB C 63.615 0.032 1 347 38 38 SER N N 113.361 0.025 1 348 39 39 THR H H 7.505 0.003 1 349 39 39 THR HA H 4.719 0.006 1 350 39 39 THR HB H 4.630 0.007 1 351 39 39 THR HG2 H 1.212 0.066 1 352 39 39 THR C C 176.231 0.008 1 353 39 39 THR CA C 61.224 0.019 1 354 39 39 THR CB C 70.237 0.038 1 355 39 39 THR CG2 C 21.744 0.067 1 356 39 39 THR N N 109.675 0.011 1 357 40 40 GLY H H 7.840 0.003 1 358 40 40 GLY HA2 H 4.054 0.065 2 359 40 40 GLY HA3 H 3.943 0.004 2 360 40 40 GLY C C 175.812 0.017 1 361 40 40 GLY CA C 46.571 0.040 1 362 40 40 GLY N N 110.848 0.012 1 363 41 41 GLY H H 8.986 0.002 1 364 41 41 GLY HA2 H 4.018 0.005 2 365 41 41 GLY HA3 H 3.337 0.006 2 366 41 41 GLY C C 173.237 0.013 1 367 41 41 GLY CA C 45.856 0.029 1 368 41 41 GLY N N 106.475 0.011 1 369 42 42 ARG H H 7.004 0.008 1 370 42 42 ARG HA H 4.654 0.006 1 371 42 42 ARG HB2 H 2.041 0.063 2 372 42 42 ARG HB3 H 1.908 0.035 2 373 42 42 ARG HD2 H 3.319 0.010 2 374 42 42 ARG HG2 H 1.784 0.022 2 375 42 42 ARG C C 176.485 0.006 1 376 42 42 ARG CA C 54.926 0.034 1 377 42 42 ARG CB C 29.762 0.053 1 378 42 42 ARG CD C 43.585 0.065 1 379 42 42 ARG CG C 26.835 0.033 1 380 42 42 ARG N N 119.130 0.007 1 381 43 43 VAL H H 8.671 0.005 1 382 43 43 VAL HA H 3.971 0.005 1 383 43 43 VAL HB H 2.187 0.005 1 384 43 43 VAL HG1 H 1.246 0.003 2 385 43 43 VAL HG2 H 1.054 0.007 2 386 43 43 VAL C C 176.764 0.064 1 387 43 43 VAL CA C 66.772 0.017 1 388 43 43 VAL CB C 32.372 0.053 1 389 43 43 VAL CG1 C 23.217 0.025 2 390 43 43 VAL CG2 C 21.727 0.052 2 391 43 43 VAL N N 128.035 0.021 1 392 44 44 ARG H H 9.250 0.004 1 393 44 44 ARG HA H 3.985 0.039 1 394 44 44 ARG HB2 H 1.944 0.011 2 395 44 44 ARG HB3 H 1.862 0.009 2 396 44 44 ARG HG2 H 1.627 0.007 2 397 44 44 ARG C C 179.085 0.009 1 398 44 44 ARG CA C 60.403 0.046 1 399 44 44 ARG CB C 29.671 0.075 1 400 44 44 ARG CD C 43.529 0.095 1 401 44 44 ARG CG C 28.192 0.030 1 402 44 44 ARG N N 118.400 0.022 1 403 45 45 ILE H H 7.074 0.006 1 404 45 45 ILE HA H 3.942 0.006 1 405 45 45 ILE HB H 2.074 0.007 1 406 45 45 ILE HD1 H 0.901 0.007 1 407 45 45 ILE HG12 H 1.545 0.104 2 408 45 45 ILE HG13 H 1.383 0.069 2 409 45 45 ILE HG2 H 1.096 0.005 1 410 45 45 ILE C C 178.204 0.004 1 411 45 45 ILE CA C 62.827 0.027 1 412 45 45 ILE CB C 36.942 0.058 1 413 45 45 ILE CD1 C 10.996 0.030 1 414 45 45 ILE CG1 C 27.965 0.046 1 415 45 45 ILE CG2 C 17.968 0.019 1 416 45 45 ILE N N 118.315 0.018 1 417 46 46 ALA H H 8.345 0.006 1 418 46 46 ALA HA H 3.919 0.006 1 419 46 46 ALA HB H 1.480 0.006 1 420 46 46 ALA C C 179.249 0.007 1 421 46 46 ALA CA C 55.944 0.023 1 422 46 46 ALA CB C 18.096 0.020 1 423 46 46 ALA N N 124.413 0.015 1 424 47 47 ILE H H 8.679 0.002 1 425 47 47 ILE HA H 3.427 0.005 1 426 47 47 ILE HB H 1.882 0.007 1 427 47 47 ILE HD1 H 0.812 0.006 1 428 47 47 ILE HG12 H 1.988 0.008 2 429 47 47 ILE HG13 H 0.684 0.005 2 430 47 47 ILE HG2 H 0.900 0.007 1 431 47 47 ILE C C 177.131 0.010 1 432 47 47 ILE CA C 66.463 0.011 1 433 47 47 ILE CB C 38.182 0.118 1 434 47 47 ILE CD1 C 14.732 0.051 1 435 47 47 ILE CG1 C 29.865 0.034 1 436 47 47 ILE CG2 C 17.241 0.053 1 437 47 47 ILE N N 116.893 0.012 1 438 48 48 ALA H H 7.368 0.005 1 439 48 48 ALA HA H 4.091 0.004 1 440 48 48 ALA HB H 1.586 0.004 1 441 48 48 ALA C C 180.832 0.002 1 442 48 48 ALA CA C 55.507 0.052 1 443 48 48 ALA CB C 17.800 0.027 1 444 48 48 ALA N N 120.655 0.012 1 445 49 49 LYS H H 8.166 0.005 1 446 49 49 LYS HA H 4.097 0.005 1 447 49 49 LYS HB2 H 2.040 0.005 2 448 49 49 LYS HD2 H 1.628 0.004 2 449 49 49 LYS HE2 H 2.979 0.005 2 450 49 49 LYS HG2 H 1.573 0.048 2 451 49 49 LYS HG3 H 1.477 0.006 2 452 49 49 LYS C C 180.163 0.013 1 453 49 49 LYS CA C 59.515 0.028 1 454 49 49 LYS CB C 32.237 0.075 1 455 49 49 LYS CD C 29.548 0.043 1 456 49 49 LYS CE C 42.008 0.060 1 457 49 49 LYS CG C 25.202 0.033 1 458 49 49 LYS N N 119.542 0.022 1 459 50 50 LEU H H 8.202 0.003 1 460 50 50 LEU HA H 4.088 0.006 1 461 50 50 LEU HB2 H 2.067 0.004 2 462 50 50 LEU HB3 H 1.405 0.008 2 463 50 50 LEU HD1 H 0.666 0.004 2 464 50 50 LEU HD2 H 0.829 0.005 2 465 50 50 LEU HG H 1.894 0.007 1 466 50 50 LEU C C 180.192 0.008 1 467 50 50 LEU CA C 57.725 0.032 1 468 50 50 LEU CB C 41.429 0.059 1 469 50 50 LEU CD1 C 25.408 0.040 2 470 50 50 LEU CD2 C 21.656 0.034 2 471 50 50 LEU CG C 25.989 0.144 1 472 50 50 LEU N N 120.619 0.012 1 473 51 51 LEU H H 8.319 0.003 1 474 51 51 LEU HA H 4.162 0.008 1 475 51 51 LEU HB2 H 1.855 0.007 2 476 51 51 LEU HB3 H 1.555 0.008 2 477 51 51 LEU HD1 H 0.838 0.005 2 478 51 51 LEU HD2 H 0.715 0.009 2 479 51 51 LEU HG H 1.724 0.007 1 480 51 51 LEU C C 178.990 0.011 1 481 51 51 LEU CA C 56.759 0.085 1 482 51 51 LEU CB C 42.027 0.052 1 483 51 51 LEU CD1 C 25.942 0.042 2 484 51 51 LEU CD2 C 23.118 0.046 2 485 51 51 LEU CG C 26.687 0.069 1 486 51 51 LEU N N 118.592 0.026 1 487 52 52 SER H H 7.849 0.003 1 488 52 52 SER HA H 4.365 0.005 1 489 52 52 SER HB2 H 4.057 0.010 2 490 52 52 SER C C 175.108 0.021 1 491 52 52 SER CA C 60.153 0.070 1 492 52 52 SER CB C 63.391 0.045 1 493 52 52 SER N N 114.795 0.012 1 494 53 53 LYS H H 7.480 0.007 1 495 53 53 LYS HA H 4.335 0.042 1 496 53 53 LYS HB2 H 1.955 0.025 2 497 53 53 LYS HB3 H 1.919 0.003 2 498 53 53 LYS HD2 H 1.734 0.005 2 499 53 53 LYS HE2 H 3.051 0.007 2 500 53 53 LYS HG2 H 1.547 0.007 2 501 53 53 LYS C C 176.925 0.015 1 502 53 53 LYS CA C 56.810 0.038 1 503 53 53 LYS CB C 32.511 0.054 1 504 53 53 LYS CD C 29.031 0.036 1 505 53 53 LYS CE C 42.227 0.098 1 506 53 53 LYS CG C 24.476 0.029 1 507 53 53 LYS N N 120.343 0.010 1 508 54 54 GLN H H 7.996 0.004 1 509 54 54 GLN HA H 4.446 0.005 1 510 54 54 GLN HB2 H 2.183 0.050 2 511 54 54 GLN HB3 H 2.080 0.009 2 512 54 54 GLN HG2 H 2.440 0.011 2 513 54 54 GLN C C 176.548 0.016 1 514 54 54 GLN CA C 56.160 0.023 1 515 54 54 GLN CB C 29.334 0.066 1 516 54 54 GLN CG C 33.949 0.052 1 517 54 54 GLN N N 119.456 0.034 1 518 55 55 THR H H 8.174 0.002 1 519 55 55 THR HA H 4.430 0.017 1 520 55 55 THR HB H 4.321 0.010 1 521 55 55 THR HG2 H 1.240 0.008 1 522 55 55 THR C C 174.952 0.032 1 523 55 55 THR CA C 61.943 0.033 1 524 55 55 THR CB C 69.835 0.048 1 525 55 55 THR CG2 C 21.581 0.079 1 526 55 55 THR N N 114.183 0.013 1 527 56 56 SER H H 8.366 0.006 1 528 56 56 SER HA H 4.516 0.007 1 529 56 56 SER HB2 H 3.932 0.008 2 530 56 56 SER C C 175.211 0.034 1 531 56 56 SER CA C 58.684 0.045 1 532 56 56 SER CB C 63.939 0.043 1 533 56 56 SER N N 117.870 0.013 1 534 57 57 GLY H H 8.479 0.003 1 535 57 57 GLY HA2 H 4.027 0.009 2 536 57 57 GLY C C 174.892 0.000 1 537 57 57 GLY CA C 45.453 0.000 1 538 57 57 GLY N N 110.758 0.018 1 539 62 62 SER HA H 4.477 0.005 1 540 62 62 SER HB2 H 3.897 0.001 2 541 62 62 SER C C 174.841 0.036 1 542 62 62 SER CA C 58.451 0.048 1 543 62 62 SER CB C 64.081 0.057 1 544 63 63 LYS H H 8.432 0.002 1 545 63 63 LYS HA H 4.362 0.005 1 546 63 63 LYS HB2 H 1.862 0.040 2 547 63 63 LYS HB3 H 1.777 0.011 2 548 63 63 LYS HD2 H 1.690 0.006 2 549 63 63 LYS HE2 H 3.008 0.002 2 550 63 63 LYS HG2 H 1.442 0.009 2 551 63 63 LYS C C 176.736 0.000 1 552 63 63 LYS CA C 56.463 0.045 1 553 63 63 LYS CB C 32.888 0.096 1 554 63 63 LYS CD C 29.078 0.037 1 555 63 63 LYS CE C 42.215 0.011 1 556 63 63 LYS CG C 24.770 0.027 1 557 63 63 LYS N N 123.124 0.030 1 558 64 64 LEU H H 8.257 0.007 1 559 64 64 LEU HA H 4.349 0.043 1 560 64 64 LEU HB2 H 1.638 0.019 2 561 64 64 LEU HD1 H 0.933 0.010 2 562 64 64 LEU HD2 H 0.878 0.007 2 563 64 64 LEU HG H 1.630 0.027 1 564 64 64 LEU C C 177.915 0.028 1 565 64 64 LEU CA C 55.369 0.033 1 566 64 64 LEU CB C 42.271 0.034 1 567 64 64 LEU CD1 C 24.925 0.070 2 568 64 64 LEU CD2 C 23.420 0.068 2 569 64 64 LEU CG C 27.038 0.041 1 570 64 64 LEU N N 122.630 0.012 1 571 65 65 GLY H H 8.415 0.003 1 572 65 65 GLY HA2 H 3.991 0.007 2 573 65 65 GLY C C 174.800 0.000 1 574 65 65 GLY CA C 45.340 0.000 1 575 65 65 GLY N N 109.734 0.005 1 576 71 71 ARG HA H 4.349 0.006 1 577 71 71 ARG HB2 H 1.900 0.012 2 578 71 71 ARG HB3 H 1.803 0.003 2 579 71 71 ARG HD2 H 3.205 0.016 2 580 71 71 ARG HG2 H 1.616 0.092 2 581 71 71 ARG C C 176.577 0.000 1 582 71 71 ARG CA C 56.394 0.074 1 583 71 71 ARG CB C 30.748 0.073 1 584 71 71 ARG CD C 43.301 0.042 1 585 71 71 ARG CG C 27.184 0.061 1 586 72 72 LYS H H 8.362 0.002 1 587 72 72 LYS HA H 4.300 0.010 1 588 72 72 LYS HB2 H 1.793 0.007 2 589 72 72 LYS HE2 H 2.986 0.000 2 590 72 72 LYS HG2 H 1.440 0.005 2 591 72 72 LYS C C 176.297 0.000 1 592 72 72 LYS CA C 56.730 0.060 1 593 72 72 LYS CB C 32.995 0.022 1 594 72 72 LYS CE C 41.458 0.000 1 595 72 72 LYS CG C 24.758 0.062 1 596 72 72 LYS N N 122.375 0.017 1 597 73 73 ASP H H 8.323 0.002 1 598 73 73 ASP HA H 4.576 0.007 1 599 73 73 ASP HB2 H 2.672 0.019 2 600 73 73 ASP HB3 H 2.637 0.011 2 601 73 73 ASP C C 176.148 0.000 1 602 73 73 ASP CA C 54.429 0.033 1 603 73 73 ASP CB C 41.226 0.028 1 604 73 73 ASP N N 120.732 0.042 1 605 74 74 LEU H H 7.998 0.009 1 606 74 74 LEU HA H 4.213 0.008 1 607 74 74 LEU HB2 H 1.464 0.053 2 608 74 74 LEU HB3 H 1.361 0.042 2 609 74 74 LEU HD1 H 0.793 0.008 2 610 74 74 LEU HD2 H 0.749 0.006 2 611 74 74 LEU HG H 1.510 0.015 1 612 74 74 LEU C C 177.171 0.034 1 613 74 74 LEU CA C 55.320 0.093 1 614 74 74 LEU CB C 42.051 0.035 1 615 74 74 LEU CD1 C 24.895 0.145 2 616 74 74 LEU CD2 C 23.772 0.062 2 617 74 74 LEU CG C 26.922 0.081 1 618 74 74 LEU N N 122.479 0.019 1 619 75 75 SER H H 8.289 0.004 1 620 75 75 SER HA H 4.362 0.004 1 621 75 75 SER HB2 H 3.850 0.007 2 622 75 75 SER C C 174.837 0.032 1 623 75 75 SER CA C 58.608 0.058 1 624 75 75 SER CB C 63.588 0.017 1 625 75 75 SER N N 117.171 0.029 1 626 76 76 VAL H H 7.893 0.003 1 627 76 76 VAL HA H 3.937 0.006 1 628 76 76 VAL HB H 1.940 0.037 1 629 76 76 VAL HG1 H 0.779 0.008 2 630 76 76 VAL HG2 H 0.789 0.012 2 631 76 76 VAL C C 176.132 0.011 1 632 76 76 VAL CA C 62.545 0.010 1 633 76 76 VAL CB C 32.237 0.071 1 634 76 76 VAL CG1 C 21.032 0.048 2 635 76 76 VAL CG2 C 20.545 0.047 2 636 76 76 VAL N N 121.108 0.013 1 637 77 77 LYS H H 8.043 0.005 1 638 77 77 LYS HA H 4.170 0.004 1 639 77 77 LYS HB2 H 1.740 0.011 2 640 77 77 LYS HG2 H 1.394 0.022 2 641 77 77 LYS C C 177.062 0.000 1 642 77 77 LYS CA C 57.138 0.030 1 643 77 77 LYS CB C 32.968 0.026 1 644 77 77 LYS CD C 29.023 0.012 1 645 77 77 LYS CG C 24.898 0.040 1 646 77 77 LYS N N 122.824 0.018 1 647 78 78 GLY H H 8.333 0.007 1 648 78 78 GLY HA2 H 3.964 0.083 2 649 78 78 GLY HA3 H 3.824 0.006 2 650 78 78 GLY C C 174.598 0.000 1 651 78 78 GLY CA C 45.729 0.030 1 652 78 78 GLY N N 108.832 0.018 1 653 79 79 MET H H 8.065 0.005 1 654 79 79 MET HA H 4.325 0.054 1 655 79 79 MET HB2 H 1.985 0.031 2 656 79 79 MET HG2 H 2.503 0.019 2 657 79 79 MET HG3 H 2.468 0.011 2 658 79 79 MET C C 176.761 0.000 1 659 79 79 MET CA C 56.713 0.059 1 660 79 79 MET CB C 32.702 0.089 1 661 79 79 MET CG C 32.221 0.084 1 662 79 79 MET N N 119.081 0.014 1 663 80 80 LEU H H 7.970 0.004 1 664 80 80 LEU HA H 4.190 0.005 1 665 80 80 LEU HB2 H 1.318 0.007 2 666 80 80 LEU HD1 H 0.752 0.001 2 667 80 80 LEU HG H 1.509 0.005 1 668 80 80 LEU C C 177.150 0.013 1 669 80 80 LEU CA C 55.955 0.084 1 670 80 80 LEU CB C 42.051 0.029 1 671 80 80 LEU CD1 C 23.729 0.000 2 672 80 80 LEU CG C 25.279 0.000 1 673 80 80 LEU N N 120.081 0.081 1 674 81 81 TYR H H 7.893 0.004 1 675 81 81 TYR HA H 4.549 0.009 1 676 81 81 TYR HB2 H 3.121 0.101 2 677 81 81 TYR HB3 H 2.878 0.007 2 678 81 81 TYR C C 176.339 0.000 1 679 81 81 TYR CA C 57.865 0.036 1 680 81 81 TYR CB C 38.508 0.047 1 681 81 81 TYR N N 116.958 0.027 1 682 82 82 ASP H H 8.176 0.013 1 683 82 82 ASP HA H 4.697 0.005 1 684 82 82 ASP HB2 H 2.796 0.039 2 685 82 82 ASP HB3 H 2.717 0.003 2 686 82 82 ASP C C 177.523 0.000 1 687 82 82 ASP CA C 55.791 0.039 1 688 82 82 ASP CB C 41.570 0.052 1 689 82 82 ASP N N 119.746 0.013 1 690 83 83 SER H H 8.188 0.013 1 691 83 83 SER HA H 4.474 0.007 1 692 83 83 SER HB2 H 3.926 0.013 2 693 83 83 SER C C 174.486 0.000 1 694 83 83 SER CA C 60.021 0.141 1 695 83 83 SER CB C 63.876 0.069 1 696 83 83 SER N N 115.423 0.022 1 697 84 84 ASP H H 8.293 0.010 1 698 84 84 ASP HA H 4.923 0.005 1 699 84 84 ASP HB2 H 2.886 0.005 2 700 84 84 ASP HB3 H 2.742 0.003 2 701 84 84 ASP C C 176.702 0.000 1 702 84 84 ASP CA C 54.444 0.069 1 703 84 84 ASP CB C 41.688 0.050 1 704 84 84 ASP N N 121.488 0.022 1 705 85 85 SER H H 8.197 0.008 1 706 85 85 SER HA H 4.149 0.010 1 707 85 85 SER HB2 H 4.171 0.012 2 708 85 85 SER C C 175.573 0.000 1 709 85 85 SER CA C 61.747 0.064 1 710 85 85 SER CB C 63.831 0.021 1 711 85 85 SER N N 116.889 0.019 1 712 86 86 GLN H H 8.627 0.004 1 713 86 86 GLN HA H 4.154 0.007 1 714 86 86 GLN HB2 H 2.151 0.006 2 715 86 86 GLN HG2 H 2.424 0.005 2 716 86 86 GLN C C 177.707 0.026 1 717 86 86 GLN CA C 58.373 0.044 1 718 86 86 GLN CB C 28.475 0.067 1 719 86 86 GLN CG C 34.108 0.037 1 720 86 86 GLN N N 121.031 0.016 1 721 87 87 GLN H H 8.208 0.009 1 722 87 87 GLN HA H 4.111 0.101 1 723 87 87 GLN HB2 H 2.137 0.006 2 724 87 87 GLN C C 179.670 0.008 1 725 87 87 GLN CA C 59.486 0.032 1 726 87 87 GLN CB C 28.722 0.018 1 727 87 87 GLN CG C 34.725 0.023 1 728 87 87 GLN N N 118.473 0.013 1 729 88 88 ILE H H 8.169 0.003 1 730 88 88 ILE HA H 3.518 0.005 1 731 88 88 ILE HB H 1.894 0.005 1 732 88 88 ILE HD1 H 0.852 0.008 1 733 88 88 ILE HG12 H 1.003 0.006 2 734 88 88 ILE HG2 H 0.727 0.005 1 735 88 88 ILE C C 176.697 0.000 1 736 88 88 ILE CA C 65.712 0.025 1 737 88 88 ILE CB C 37.268 0.054 1 738 88 88 ILE CD1 C 13.318 0.094 1 739 88 88 ILE CG1 C 30.037 0.037 1 740 88 88 ILE CG2 C 17.174 0.022 1 741 88 88 ILE N N 119.834 0.023 1 742 89 89 LEU H H 8.260 0.005 1 743 89 89 LEU HA H 3.718 0.007 1 744 89 89 LEU HB2 H 1.880 0.005 2 745 89 89 LEU HB3 H 1.359 0.007 2 746 89 89 LEU HD1 H 0.835 0.004 2 747 89 89 LEU HD2 H 0.750 0.010 2 748 89 89 LEU HG H 1.356 0.011 1 749 89 89 LEU C C 177.814 0.012 1 750 89 89 LEU CA C 58.613 0.021 1 751 89 89 LEU CB C 41.902 0.043 1 752 89 89 LEU CD1 C 25.920 0.049 2 753 89 89 LEU CD2 C 23.435 0.047 2 754 89 89 LEU CG C 27.143 0.045 1 755 89 89 LEU N N 120.868 0.029 1 756 90 90 ASN H H 8.415 0.003 1 757 90 90 ASN HA H 4.313 0.006 1 758 90 90 ASN HB2 H 2.832 0.004 2 759 90 90 ASN C C 178.182 0.035 1 760 90 90 ASN CA C 56.157 0.051 1 761 90 90 ASN CB C 37.839 0.041 1 762 90 90 ASN N N 115.515 0.016 1 763 91 91 ARG H H 7.935 0.005 1 764 91 91 ARG HA H 4.231 0.007 1 765 91 91 ARG HB2 H 1.940 0.008 2 766 91 91 ARG HD2 H 3.583 0.007 2 767 91 91 ARG HD3 H 2.699 0.005 2 768 91 91 ARG HG2 H 1.812 0.007 2 769 91 91 ARG HG3 H 1.292 0.007 2 770 91 91 ARG C C 178.267 0.008 1 771 91 91 ARG CA C 56.932 0.037 1 772 91 91 ARG CB C 29.705 0.045 1 773 91 91 ARG CD C 42.573 0.027 1 774 91 91 ARG CG C 26.306 0.035 1 775 91 91 ARG N N 120.157 0.018 1 776 92 92 LEU H H 8.855 0.006 1 777 92 92 LEU HA H 3.900 0.005 1 778 92 92 LEU HB2 H 1.823 0.010 2 779 92 92 LEU HB3 H 1.476 0.006 2 780 92 92 LEU HD1 H 0.623 0.006 2 781 92 92 LEU HD2 H 0.326 0.004 2 782 92 92 LEU HG H 1.556 0.012 1 783 92 92 LEU C C 178.336 0.045 1 784 92 92 LEU CA C 58.325 0.037 1 785 92 92 LEU CB C 43.463 0.029 1 786 92 92 LEU CD1 C 23.946 0.029 2 787 92 92 LEU CD2 C 24.358 0.049 2 788 92 92 LEU CG C 26.779 0.096 1 789 92 92 LEU N N 121.922 0.014 1 790 93 93 ARG H H 8.087 0.005 1 791 93 93 ARG HA H 3.881 0.008 1 792 93 93 ARG HB2 H 1.894 0.006 2 793 93 93 ARG HD2 H 3.106 0.004 2 794 93 93 ARG HG2 H 1.869 0.009 2 795 93 93 ARG HG3 H 1.621 0.007 2 796 93 93 ARG C C 179.377 0.006 1 797 93 93 ARG CA C 60.321 0.043 1 798 93 93 ARG CB C 30.068 0.059 1 799 93 93 ARG CD C 43.970 0.050 1 800 93 93 ARG CG C 28.831 0.042 1 801 93 93 ARG N N 116.660 0.016 1 802 94 94 GLU H H 7.557 0.005 1 803 94 94 GLU HA H 4.035 0.010 1 804 94 94 GLU HB2 H 2.235 0.102 2 805 94 94 GLU HB3 H 2.053 0.008 2 806 94 94 GLU HG2 H 2.438 0.103 2 807 94 94 GLU HG3 H 2.269 0.035 2 808 94 94 GLU C C 179.760 0.035 1 809 94 94 GLU CA C 59.256 0.033 1 810 94 94 GLU CB C 30.505 0.038 1 811 94 94 GLU CG C 36.359 0.089 1 812 94 94 GLU N N 119.349 0.012 1 813 95 95 ARG H H 8.510 0.002 1 814 95 95 ARG HA H 3.996 0.016 1 815 95 95 ARG HB2 H 2.274 0.005 2 816 95 95 ARG HB3 H 1.760 0.006 2 817 95 95 ARG HD2 H 3.656 0.005 2 818 95 95 ARG HD3 H 2.769 0.005 2 819 95 95 ARG HG2 H 1.737 0.047 2 820 95 95 ARG C C 178.972 0.013 1 821 95 95 ARG CA C 59.558 0.038 1 822 95 95 ARG CB C 30.982 0.045 1 823 95 95 ARG CD C 44.520 0.028 1 824 95 95 ARG CG C 27.800 0.072 1 825 95 95 ARG N N 119.810 0.021 1 826 96 96 VAL H H 8.258 0.005 1 827 96 96 VAL HA H 3.931 0.008 1 828 96 96 VAL HB H 2.110 0.007 1 829 96 96 VAL HG1 H 0.974 0.008 2 830 96 96 VAL HG2 H 0.936 0.063 2 831 96 96 VAL C C 177.877 0.033 1 832 96 96 VAL CA C 65.061 0.038 1 833 96 96 VAL CB C 31.855 0.059 1 834 96 96 VAL CG1 C 22.707 0.036 2 835 96 96 VAL CG2 C 21.243 0.039 2 836 96 96 VAL N N 117.252 0.025 1 837 97 97 SER H H 7.978 0.003 1 838 97 97 SER HA H 4.405 0.011 1 839 97 97 SER HB2 H 4.005 0.008 2 840 97 97 SER C C 175.674 0.009 1 841 97 97 SER CA C 60.069 0.050 1 842 97 97 SER CB C 63.796 0.034 1 843 97 97 SER N N 115.163 0.009 1 844 98 98 GLY H H 7.963 0.003 1 845 98 98 GLY HA2 H 4.059 0.009 2 846 98 98 GLY C C 174.559 0.005 1 847 98 98 GLY CA C 45.803 0.036 1 848 98 98 GLY N N 109.579 0.009 1 849 99 99 SER H H 8.094 0.025 1 850 99 99 SER HA H 4.561 0.005 1 851 99 99 SER HB2 H 3.928 0.003 2 852 99 99 SER C C 174.925 0.047 1 853 99 99 SER CA C 58.628 0.031 1 854 99 99 SER CB C 63.929 0.045 1 855 99 99 SER N N 115.449 0.009 1 856 100 100 THR H H 8.168 0.004 1 857 100 100 THR HA H 4.352 0.084 1 858 100 100 THR HB H 4.311 0.008 1 859 100 100 THR HG2 H 1.236 0.007 1 860 100 100 THR C C 174.541 0.009 1 861 100 100 THR CA C 61.915 0.034 1 862 100 100 THR CB C 69.786 0.040 1 863 100 100 THR CG2 C 21.573 0.072 1 864 100 100 THR N N 115.478 0.009 1 865 101 101 ALA H H 8.280 0.004 1 866 101 101 ALA HA H 4.345 0.005 1 867 101 101 ALA HB H 1.417 0.004 1 868 101 101 ALA C C 177.704 0.009 1 869 101 101 ALA CA C 52.725 0.037 1 870 101 101 ALA CB C 19.209 0.015 1 871 101 101 ALA N N 126.355 0.011 1 872 102 102 GLN H H 8.437 0.061 1 873 102 102 GLN HA H 4.384 0.004 1 874 102 102 GLN HB2 H 2.158 0.004 2 875 102 102 GLN HB3 H 2.016 0.003 2 876 102 102 GLN HG2 H 2.412 0.003 2 877 102 102 GLN C C 176.019 0.019 1 878 102 102 GLN CA C 55.884 0.038 1 879 102 102 GLN CB C 29.578 0.040 1 880 102 102 GLN CG C 33.877 0.047 1 881 102 102 GLN N N 119.750 0.009 1 882 103 103 SER H H 8.336 0.002 1 883 103 103 SER HA H 4.462 0.007 1 884 103 103 SER HB2 H 3.889 0.004 2 885 103 103 SER C C 173.243 0.018 1 886 103 103 SER CA C 58.425 0.045 1 887 103 103 SER CB C 64.162 0.026 1 888 103 103 SER N N 117.722 0.027 1 889 104 104 ALA H H 8.054 0.001 1 890 104 104 ALA HA H 4.170 0.003 1 891 104 104 ALA HB H 1.362 0.002 1 892 104 104 ALA C C 182.546 0.000 1 893 104 104 ALA CA C 53.984 0.022 1 894 104 104 ALA CB C 20.187 0.015 1 895 104 104 ALA N N 131.639 0.004 1 stop_ save_