data_27056 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C. elegans SAS-5 N-term backbone assignments ; _BMRB_accession_number 27056 _BMRB_flat_file_name bmr27056.str _Entry_type original _Submission_date 2017-03-24 _Accession_date 2017-03-24 _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 Rogala Kacper B. . 2 Vakonakis Ioannis . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 412 "13C chemical shifts" 356 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-10 update BMRB 'update entry citation' 2018-02-02 original author 'original release' stop_ _Original_release_date 2017-03-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Interaction between the C. elegans centriolar protein SAS-5 and microtubules facilitates organelle assembly ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29367435 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bianchi Sarah . . 2 Rogala Kacper B. . 3 Dynes Nicola J. . 4 Hilbert Manuel . . 5 Leidel Sebastian A. . 6 Steinmetz Michel O. . 7 Gonczy Pierre . . 8 Vakonakis Ioannis . . stop_ _Journal_abbreviation 'Mol. Biol. Cell' _Journal_name_full 'Molecular biology of the cell' _Journal_volume 29 _Journal_issue 6 _Journal_ISSN 1939-4586 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 722 _Page_last 735 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sas-5N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label sas-5N $sas-5N 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_sas-5N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sas-5N _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Centriole assembly' 'Structural protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; GPNNYDDLPCSIYFKKPTVQ EFVDQPRVFEDSEVPAFQEV LQLPQERTKPPVPSTQPIVA AVEVAKKKSCLSAPKPRKEP PSHPALRQKTVAFGKTVNVS QTVEGTSRNSKKVLASTMSA QNT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 PRO 3 2 ASN 4 3 ASN 5 4 TYR 6 5 ASP 7 6 ASP 8 7 LEU 9 8 PRO 10 9 CYS 11 10 SER 12 11 ILE 13 12 TYR 14 13 PHE 15 14 LYS 16 15 LYS 17 16 PRO 18 17 THR 19 18 VAL 20 19 GLN 21 20 GLU 22 21 PHE 23 22 VAL 24 23 ASP 25 24 GLN 26 25 PRO 27 26 ARG 28 27 VAL 29 28 PHE 30 29 GLU 31 30 ASP 32 31 SER 33 32 GLU 34 33 VAL 35 34 PRO 36 35 ALA 37 36 PHE 38 37 GLN 39 38 GLU 40 39 VAL 41 40 LEU 42 41 GLN 43 42 LEU 44 43 PRO 45 44 GLN 46 45 GLU 47 46 ARG 48 47 THR 49 48 LYS 50 49 PRO 51 50 PRO 52 51 VAL 53 52 PRO 54 53 SER 55 54 THR 56 55 GLN 57 56 PRO 58 57 ILE 59 58 VAL 60 59 ALA 61 60 ALA 62 61 VAL 63 62 GLU 64 63 VAL 65 64 ALA 66 65 LYS 67 66 LYS 68 67 LYS 69 68 SER 70 69 CYS 71 70 LEU 72 71 SER 73 72 ALA 74 73 PRO 75 74 LYS 76 75 PRO 77 76 ARG 78 77 LYS 79 78 GLU 80 79 PRO 81 80 PRO 82 81 SER 83 82 HIS 84 83 PRO 85 84 ALA 86 85 LEU 87 86 ARG 88 87 GLN 89 88 LYS 90 89 THR 91 90 VAL 92 91 ALA 93 92 PHE 94 93 GLY 95 94 LYS 96 95 THR 97 96 VAL 98 97 ASN 99 98 VAL 100 99 SER 101 100 GLN 102 101 THR 103 102 VAL 104 103 GLU 105 104 GLY 106 105 THR 107 106 SER 108 107 ARG 109 108 ASN 110 109 SER 111 110 LYS 112 111 LYS 113 112 VAL 114 113 LEU 115 114 ALA 116 115 SER 117 116 THR 118 117 MET 119 118 SER 120 119 ALA 121 120 GLN 122 121 ASN 123 122 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q20010 sas-5 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $sas-5N 'C. elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans sas-5 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $sas-5N 'recombinant technology' . Escherichia coli BL21(DE3) Rosetta2 pFLOAT 'Custom vector based on commercial pET30a' 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 $sas-5N 0.5 mM '[U-100% 13C; U-100% 15N]' 'Potassium PIPES (K-PIPES)' 80 mM 'natural abundance' EGTA 1 mM 'natural abundance' MgCl2 1 mM 'natural abundance' NaN3 0.02 '% w/v' 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Omega_spectrometer_software _Saveframe_category software _Name Omega_spectrometer_software _Version 'vBeta 6.0.3b2' loop_ _Vendor _Address _Electronic_address GE . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Home-built _Model OMEGA _Field_strength 750 _Details 'Oxford 750 supercon magnet, home-built control electronics, operated through Omega computer and software' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHAHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _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' 0.16 . M pH 6.8 . pH pressure 1 . atm temperature 273 . 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_ _Software_label $Omega_spectrometer_software $NMRPipe $CCPN_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D HNHAHB' 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 sas-5N _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 PRO HA H 4.444 0.000 1 2 1 2 PRO HB2 H 2.289 0.000 1 3 1 2 PRO HB3 H 1.940 0.000 1 4 1 2 PRO C C 176.642 0.000 1 5 1 2 PRO CA C 63.250 0.000 1 6 1 2 PRO CB C 32.281 0.000 1 7 2 3 ASN H H 8.668 0.003 1 8 2 3 ASN HA H 4.651 0.006 1 9 2 3 ASN HB2 H 2.670 0.002 1 10 2 3 ASN C C 174.663 0.005 1 11 2 3 ASN CA C 53.140 0.017 1 12 2 3 ASN CB C 38.859 0.004 1 13 2 3 ASN N N 118.392 0.014 1 14 3 4 ASN H H 8.356 0.002 1 15 3 4 ASN HA H 4.661 0.005 1 16 3 4 ASN HB2 H 2.686 0.006 1 17 3 4 ASN HB3 H 2.759 0.003 1 18 3 4 ASN C C 175.050 0.022 1 19 3 4 ASN CA C 53.298 0.029 1 20 3 4 ASN CB C 38.944 0.026 1 21 3 4 ASN N N 118.816 0.015 1 22 4 5 TYR H H 8.248 0.004 1 23 4 5 TYR HA H 4.546 0.006 1 24 4 5 TYR HB2 H 3.119 0.001 1 25 4 5 TYR HB3 H 2.934 0.002 1 26 4 5 TYR C C 175.830 0.014 1 27 4 5 TYR CA C 58.077 0.021 1 28 4 5 TYR CB C 38.389 0.021 1 29 4 5 TYR N N 120.407 0.012 1 30 5 6 ASP H H 8.274 0.005 1 31 5 6 ASP HA H 4.565 0.005 1 32 5 6 ASP HB2 H 2.592 0.000 1 33 5 6 ASP HB3 H 2.663 0.000 1 34 5 6 ASP C C 175.796 0.003 1 35 5 6 ASP CA C 54.690 0.018 1 36 5 6 ASP CB C 41.086 0.007 1 37 5 6 ASP N N 120.860 0.008 1 38 6 7 ASP H H 8.194 0.003 1 39 6 7 ASP HA H 4.605 0.005 1 40 6 7 ASP HB2 H 2.700 0.003 1 41 6 7 ASP HB3 H 2.592 0.000 1 42 6 7 ASP C C 175.934 0.006 1 43 6 7 ASP CA C 54.191 0.022 1 44 6 7 ASP CB C 41.024 0.028 1 45 6 7 ASP N N 119.715 0.010 1 46 7 8 LEU H H 8.122 0.002 1 47 7 8 LEU HA H 4.600 0.001 1 48 7 8 LEU HB2 H 1.666 0.000 1 49 7 8 LEU HB3 H 1.548 0.000 1 50 7 8 LEU C C 175.474 0.000 1 51 7 8 LEU CA C 53.233 0.000 1 52 7 8 LEU CB C 41.764 0.000 1 53 7 8 LEU N N 123.193 0.009 1 54 8 9 PRO HA H 4.360 0.006 1 55 8 9 PRO HB2 H 2.273 0.000 1 56 8 9 PRO HB3 H 1.902 0.000 1 57 8 9 PRO C C 176.992 0.000 1 58 8 9 PRO CA C 63.337 0.007 1 59 8 9 PRO CB C 31.980 0.000 1 60 9 10 CYS H H 8.440 0.002 1 61 9 10 CYS HA H 4.474 0.007 1 62 9 10 CYS HB2 H 2.948 0.002 1 63 9 10 CYS C C 174.845 0.007 1 64 9 10 CYS CA C 58.550 0.030 1 65 9 10 CYS CB C 27.982 0.000 1 66 9 10 CYS N N 118.801 0.020 1 67 10 11 SER H H 8.431 0.001 1 68 10 11 SER HA H 4.414 0.005 1 69 10 11 SER HB2 H 3.822 0.000 1 70 10 11 SER HB3 H 3.931 0.002 1 71 10 11 SER C C 174.936 0.005 1 72 10 11 SER CA C 58.506 0.012 1 73 10 11 SER CB C 63.841 0.000 1 74 10 11 SER N N 118.616 0.010 1 75 11 12 ILE H H 8.085 0.002 1 76 11 12 ILE HA H 4.105 0.006 1 77 11 12 ILE HB H 1.747 0.000 1 78 11 12 ILE C C 175.907 0.014 1 79 11 12 ILE CA C 61.841 0.009 1 80 11 12 ILE CB C 38.514 0.007 1 81 11 12 ILE N N 121.836 0.017 1 82 12 13 TYR H H 8.079 0.011 1 83 12 13 TYR HA H 4.531 0.006 1 84 12 13 TYR HB2 H 2.785 0.001 1 85 12 13 TYR HB3 H 2.999 0.001 1 86 12 13 TYR C C 175.261 0.011 1 87 12 13 TYR CA C 57.806 0.016 1 88 12 13 TYR CB C 38.722 0.024 1 89 12 13 TYR N N 122.719 0.030 1 90 13 14 PHE H H 7.940 0.002 1 91 13 14 PHE HA H 4.543 0.005 1 92 13 14 PHE HB2 H 3.038 0.000 1 93 13 14 PHE C C 174.831 0.005 1 94 13 14 PHE CA C 57.588 0.021 1 95 13 14 PHE CB C 39.881 0.011 1 96 13 14 PHE N N 122.087 0.017 1 97 14 15 LYS H H 8.119 0.003 1 98 14 15 LYS HA H 4.215 0.006 1 99 14 15 LYS HB2 H 1.705 0.000 1 100 14 15 LYS HB3 H 1.652 0.000 1 101 14 15 LYS C C 175.543 0.006 1 102 14 15 LYS CA C 55.698 0.016 1 103 14 15 LYS CB C 33.230 0.005 1 104 14 15 LYS N N 124.451 0.020 1 105 15 16 LYS H H 8.391 0.001 1 106 15 16 LYS HA H 4.444 0.006 1 107 15 16 LYS HB2 H 1.825 0.000 1 108 15 16 LYS HB3 H 1.712 0.000 1 109 15 16 LYS C C 174.625 0.000 1 110 15 16 LYS CA C 54.496 0.002 1 111 15 16 LYS CB C 32.413 0.000 1 112 15 16 LYS N N 125.438 0.020 1 113 16 17 PRO HA H 4.486 0.008 1 114 16 17 PRO HB2 H 2.311 0.000 1 115 16 17 PRO HB3 H 1.898 0.000 1 116 16 17 PRO C C 177.021 0.010 1 117 16 17 PRO CA C 63.092 0.022 1 118 16 17 PRO CB C 32.196 0.000 1 119 17 18 THR H H 8.431 0.002 1 120 17 18 THR HA H 4.312 0.005 1 121 17 18 THR HB H 4.177 0.000 1 122 17 18 THR C C 174.643 0.008 1 123 17 18 THR CA C 61.992 0.019 1 124 17 18 THR CB C 69.962 0.017 1 125 17 18 THR N N 115.982 0.047 1 126 18 19 VAL H H 8.286 0.001 1 127 18 19 VAL HA H 4.118 0.006 1 128 18 19 VAL HB H 2.057 0.000 1 129 18 19 VAL C C 175.917 0.013 1 130 18 19 VAL CA C 62.261 0.014 1 131 18 19 VAL CB C 32.920 0.001 1 132 18 19 VAL N N 123.083 0.007 1 133 19 20 GLN H H 8.539 0.001 1 134 19 20 GLN HA H 4.277 0.006 1 135 19 20 GLN HB2 H 1.927 0.000 1 136 19 20 GLN HB3 H 1.980 0.000 1 137 19 20 GLN C C 175.537 0.007 1 138 19 20 GLN CA C 55.801 0.021 1 139 19 20 GLN CB C 29.574 0.000 1 140 19 20 GLN N N 124.727 0.014 1 141 20 21 GLU H H 8.465 0.003 1 142 20 21 GLU HA H 4.207 0.005 1 143 20 21 GLU HB2 H 1.873 0.000 1 144 20 21 GLU C C 175.968 0.007 1 145 20 21 GLU CA C 56.583 0.023 1 146 20 21 GLU CB C 30.562 0.038 1 147 20 21 GLU N N 123.037 0.019 1 148 21 22 PHE H H 8.422 0.001 1 149 21 22 PHE HA H 4.658 0.006 1 150 21 22 PHE HB2 H 3.128 0.000 1 151 21 22 PHE HB3 H 3.009 0.003 1 152 21 22 PHE C C 175.616 0.033 1 153 21 22 PHE CA C 57.660 0.012 1 154 21 22 PHE CB C 39.653 0.001 1 155 21 22 PHE N N 121.305 0.015 1 156 22 23 VAL H H 8.141 0.001 1 157 22 23 VAL HA H 4.051 0.006 1 158 22 23 VAL HB H 2.002 0.002 1 159 22 23 VAL C C 175.429 0.009 1 160 22 23 VAL CA C 62.203 0.010 1 161 22 23 VAL CB C 33.026 0.006 1 162 22 23 VAL N N 122.574 0.021 1 163 23 24 ASP H H 8.418 0.000 1 164 23 24 ASP HA H 4.551 0.006 1 165 23 24 ASP HB2 H 2.571 0.002 1 166 23 24 ASP HB3 H 2.686 0.002 1 167 23 24 ASP C C 175.691 0.002 1 168 23 24 ASP CA C 54.303 0.021 1 169 23 24 ASP CB C 41.191 0.007 1 170 23 24 ASP N N 123.978 0.050 1 171 24 25 GLN H H 8.232 0.002 1 172 24 25 GLN HA H 4.592 0.009 1 173 24 25 GLN HB2 H 1.912 0.000 1 174 24 25 GLN HB3 H 2.064 0.000 1 175 24 25 GLN C C 173.690 0.000 1 176 24 25 GLN CA C 53.529 0.020 1 177 24 25 GLN CB C 29.121 0.000 1 178 24 25 GLN N N 121.498 0.014 1 179 25 26 PRO HA H 4.388 0.007 1 180 25 26 PRO HB2 H 2.274 0.000 1 181 25 26 PRO HB3 H 1.844 0.000 1 182 25 26 PRO C C 176.675 0.001 1 183 25 26 PRO CA C 63.101 0.022 1 184 25 26 PRO CB C 32.144 0.000 1 185 26 27 ARG H H 8.514 0.001 1 186 26 27 ARG HA H 4.290 0.004 1 187 26 27 ARG HB2 H 1.694 0.000 1 188 26 27 ARG C C 176.032 0.012 1 189 26 27 ARG CA C 55.880 0.012 1 190 26 27 ARG CB C 30.943 0.011 1 191 26 27 ARG N N 122.146 0.029 1 192 27 28 VAL H H 8.236 0.001 1 193 27 28 VAL HA H 4.082 0.006 1 194 27 28 VAL HB H 1.970 0.001 1 195 27 28 VAL C C 175.757 0.007 1 196 27 28 VAL CA C 62.037 0.013 1 197 27 28 VAL CB C 32.973 0.000 1 198 27 28 VAL N N 122.051 0.025 1 199 28 29 PHE H H 8.524 0.001 1 200 28 29 PHE HA H 4.642 0.006 1 201 28 29 PHE HB2 H 3.118 0.000 1 202 28 29 PHE HB3 H 2.982 0.002 1 203 28 29 PHE C C 175.653 0.006 1 204 28 29 PHE CA C 57.651 0.022 1 205 28 29 PHE CB C 39.862 0.001 1 206 28 29 PHE N N 124.625 0.021 1 207 29 30 GLU H H 8.560 0.002 1 208 29 30 GLU HA H 4.272 0.006 1 209 29 30 GLU HB2 H 1.880 0.002 1 210 29 30 GLU HB3 H 2.029 0.002 1 211 29 30 GLU C C 175.972 0.006 1 212 29 30 GLU CA C 56.416 0.003 1 213 29 30 GLU CB C 30.548 0.000 1 214 29 30 GLU N N 123.067 0.022 1 215 30 31 ASP H H 8.468 0.001 1 216 30 31 ASP HA H 4.581 0.005 1 217 30 31 ASP HB2 H 2.623 0.002 1 218 30 31 ASP HB3 H 2.733 0.000 1 219 30 31 ASP C C 176.374 0.005 1 220 30 31 ASP CA C 54.578 0.014 1 221 30 31 ASP CB C 41.142 0.013 1 222 30 31 ASP N N 121.952 0.019 1 223 31 32 SER H H 8.298 0.002 1 224 31 32 SER HA H 4.405 0.006 1 225 31 32 SER HB2 H 3.874 0.030 1 226 31 32 SER C C 174.518 0.010 1 227 31 32 SER CA C 58.602 0.028 1 228 31 32 SER CB C 63.880 0.001 1 229 31 32 SER N N 115.934 0.015 1 230 32 33 GLU H H 8.468 0.002 1 231 32 33 GLU HA H 4.308 0.005 1 232 32 33 GLU HB2 H 2.041 0.000 1 233 32 33 GLU HB3 H 1.953 0.000 1 234 32 33 GLU C C 176.307 0.001 1 235 32 33 GLU CA C 56.417 0.014 1 236 32 33 GLU CB C 30.356 0.039 1 237 32 33 GLU N N 122.755 0.013 1 238 33 34 VAL H H 8.243 0.001 1 239 33 34 VAL HA H 4.350 0.005 1 240 33 34 VAL HB H 2.051 0.000 1 241 33 34 VAL C C 174.415 0.000 1 242 33 34 VAL CA C 60.018 0.008 1 243 33 34 VAL CB C 32.525 0.000 1 244 33 34 VAL N N 123.409 0.026 1 245 34 35 PRO HA H 4.340 0.000 1 246 34 35 PRO HB2 H 2.242 0.000 1 247 34 35 PRO HB3 H 1.787 0.000 1 248 34 35 PRO C C 176.523 0.000 1 249 34 35 PRO CA C 63.094 0.000 1 250 34 35 PRO CB C 32.175 0.000 1 251 35 36 ALA H H 8.444 0.002 1 252 35 36 ALA HA H 4.233 0.005 1 253 35 36 ALA HB H 1.322 0.000 1 254 35 36 ALA C C 177.611 0.000 1 255 35 36 ALA CA C 52.453 0.000 1 256 35 36 ALA CB C 19.217 0.004 1 257 35 36 ALA N N 124.461 0.021 1 258 36 37 PHE H H 8.253 0.001 1 259 36 37 PHE HA H 4.563 0.006 1 260 36 37 PHE HB2 H 3.072 0.002 1 261 36 37 PHE C C 175.448 0.008 1 262 36 37 PHE CA C 57.783 0.014 1 263 36 37 PHE CB C 39.553 0.005 1 264 36 37 PHE N N 119.429 0.027 1 265 37 38 GLN H H 8.192 0.004 1 266 37 38 GLN HA H 4.264 0.006 1 267 37 38 GLN HB2 H 1.987 0.003 1 268 37 38 GLN HB3 H 1.862 0.001 1 269 37 38 GLN C C 175.118 0.010 1 270 37 38 GLN CA C 55.370 0.028 1 271 37 38 GLN CB C 29.922 0.013 1 272 37 38 GLN N N 122.817 0.032 1 273 38 39 GLU H H 8.446 0.001 1 274 38 39 GLU HA H 4.209 0.005 1 275 38 39 GLU HB2 H 2.000 0.000 1 276 38 39 GLU HB3 H 1.927 0.000 1 277 38 39 GLU C C 176.397 0.010 1 278 38 39 GLU CA C 56.660 0.022 1 279 38 39 GLU CB C 30.358 0.002 1 280 38 39 GLU N N 123.304 0.020 1 281 39 40 VAL H H 8.372 0.000 1 282 39 40 VAL HA H 4.058 0.005 1 283 39 40 VAL HB H 2.046 0.000 1 284 39 40 VAL C C 176.081 0.001 1 285 39 40 VAL CA C 62.438 0.009 1 286 39 40 VAL CB C 32.633 0.000 1 287 39 40 VAL N N 122.555 0.023 1 288 40 41 LEU H H 8.404 0.001 1 289 40 41 LEU HA H 4.348 0.004 1 290 40 41 LEU HB2 H 1.627 0.000 1 291 40 41 LEU HB3 H 1.547 0.001 1 292 40 41 LEU C C 177.010 0.008 1 293 40 41 LEU CA C 55.104 0.057 1 294 40 41 LEU CB C 42.372 0.006 1 295 40 41 LEU N N 126.676 0.030 1 296 41 42 GLN H H 8.439 0.000 1 297 41 42 GLN HA H 4.350 0.006 1 298 41 42 GLN HB2 H 1.941 0.000 1 299 41 42 GLN HB3 H 2.060 0.001 1 300 41 42 GLN C C 175.579 0.004 1 301 41 42 GLN CA C 55.288 0.023 1 302 41 42 GLN CB C 29.603 0.014 1 303 41 42 GLN N N 121.996 0.033 1 304 42 43 LEU H H 8.476 0.001 1 305 42 43 LEU HA H 4.596 0.001 1 306 42 43 LEU HB2 H 1.557 0.000 1 307 42 43 LEU HB3 H 1.584 0.000 1 308 42 43 LEU C C 175.411 0.000 1 309 42 43 LEU CA C 53.142 0.000 1 310 42 43 LEU CB C 41.451 0.000 1 311 42 43 LEU N N 125.630 0.021 1 312 43 44 PRO HA H 4.393 0.000 1 313 43 44 PRO HB2 H 2.324 0.000 1 314 43 44 PRO HB3 H 1.914 0.000 1 315 43 44 PRO C C 177.176 0.000 1 316 43 44 PRO CA C 63.354 0.000 1 317 43 44 PRO CB C 32.042 0.000 1 318 44 45 GLN H H 8.633 0.002 1 319 44 45 GLN HA H 4.283 0.005 1 320 44 45 GLN HB2 H 1.991 0.000 1 321 44 45 GLN HB3 H 2.086 0.000 1 322 44 45 GLN C C 176.249 0.003 1 323 44 45 GLN CA C 55.995 0.023 1 324 44 45 GLN CB C 29.535 0.026 1 325 44 45 GLN N N 120.491 0.034 1 326 45 46 GLU H H 8.556 0.000 1 327 45 46 GLU HA H 4.285 0.005 1 328 45 46 GLU HB2 H 1.964 0.000 1 329 45 46 GLU HB3 H 2.049 0.000 1 330 45 46 GLU C C 176.546 0.008 1 331 45 46 GLU CA C 56.634 0.021 1 332 45 46 GLU CB C 30.265 0.012 1 333 45 46 GLU N N 122.343 0.011 1 334 46 47 ARG H H 8.468 0.001 1 335 46 47 ARG HA H 4.394 0.005 1 336 46 47 ARG HB2 H 1.783 0.001 1 337 46 47 ARG HB3 H 1.901 0.003 1 338 46 47 ARG C C 176.521 0.004 1 339 46 47 ARG CA C 56.173 0.019 1 340 46 47 ARG CB C 30.793 0.009 1 341 46 47 ARG N N 122.348 0.017 1 342 47 48 THR H H 8.254 0.002 1 343 47 48 THR HA H 4.287 0.005 1 344 47 48 THR HB H 4.154 0.001 1 345 47 48 THR C C 174.238 0.002 1 346 47 48 THR CA C 62.031 0.008 1 347 47 48 THR CB C 69.873 0.000 1 348 47 48 THR N N 115.932 0.020 1 349 48 49 LYS H H 8.458 0.001 1 350 48 49 LYS HA H 4.615 0.005 1 351 48 49 LYS HB2 H 1.718 0.000 1 352 48 49 LYS HB3 H 1.832 0.000 1 353 48 49 LYS C C 173.959 0.000 1 354 48 49 LYS CA C 54.250 0.001 1 355 48 49 LYS CB C 32.540 0.000 1 356 48 49 LYS N N 125.796 0.023 1 357 50 51 PRO HA H 4.465 0.000 1 358 50 51 PRO HB2 H 2.272 0.000 1 359 50 51 PRO HB3 H 1.862 0.000 1 360 50 51 PRO C C 176.742 0.000 1 361 50 51 PRO CA C 62.665 0.000 1 362 50 51 PRO CB C 32.056 0.000 1 363 51 52 VAL H H 8.345 0.001 1 364 51 52 VAL HA H 4.406 0.001 1 365 51 52 VAL HB H 2.075 0.000 1 366 51 52 VAL C C 174.786 0.000 1 367 51 52 VAL CA C 59.890 0.010 1 368 51 52 VAL CB C 32.438 0.000 1 369 51 52 VAL N N 121.841 0.019 1 370 52 53 PRO HA H 4.444 0.000 1 371 52 53 PRO HB2 H 2.334 0.000 1 372 52 53 PRO HB3 H 1.928 0.000 1 373 52 53 PRO C C 176.993 0.000 1 374 52 53 PRO CA C 63.236 0.000 1 375 52 53 PRO CB C 32.245 0.000 1 376 53 54 SER H H 8.589 0.002 1 377 53 54 SER HA H 4.491 0.009 1 378 53 54 SER HB2 H 3.882 0.000 1 379 53 54 SER HB3 H 3.939 0.004 1 380 53 54 SER C C 175.020 0.011 1 381 53 54 SER CA C 58.346 0.027 1 382 53 54 SER CB C 63.821 0.032 1 383 53 54 SER N N 116.615 0.024 1 384 54 55 THR H H 8.277 0.001 1 385 54 55 THR HA H 4.367 0.005 1 386 54 55 THR HB H 4.234 0.000 1 387 54 55 THR C C 174.377 0.015 1 388 54 55 THR CA C 61.683 0.016 1 389 54 55 THR CB C 69.786 0.000 1 390 54 55 THR N N 115.901 0.012 1 391 55 56 GLN H H 8.414 0.002 1 392 55 56 GLN HA H 4.620 0.005 1 393 55 56 GLN HB2 H 2.098 0.000 1 394 55 56 GLN HB3 H 1.942 0.000 1 395 55 56 GLN C C 173.885 0.000 1 396 55 56 GLN CA C 53.776 0.026 1 397 55 56 GLN CB C 28.975 0.000 1 398 55 56 GLN N N 123.959 0.028 1 399 56 57 PRO HA H 4.413 0.000 1 400 56 57 PRO HB2 H 2.284 0.000 1 401 56 57 PRO HB3 H 1.855 0.000 1 402 56 57 PRO C C 176.698 0.000 1 403 56 57 PRO CA C 63.011 0.000 1 404 56 57 PRO CB C 32.149 0.000 1 405 57 58 ILE H H 8.415 0.002 1 406 57 58 ILE HA H 4.125 0.006 1 407 57 58 ILE HB H 1.827 0.000 1 408 57 58 ILE C C 176.475 0.005 1 409 57 58 ILE CA C 61.218 0.012 1 410 57 58 ILE CB C 38.540 0.001 1 411 57 58 ILE N N 122.182 0.025 1 412 58 59 VAL H H 8.357 0.001 1 413 58 59 VAL HA H 4.094 0.003 1 414 58 59 VAL HB H 2.025 0.001 1 415 58 59 VAL C C 175.653 0.000 1 416 58 59 VAL CA C 62.034 0.001 1 417 58 59 VAL CB C 32.799 0.011 1 418 58 59 VAL N N 126.112 0.019 1 419 59 60 ALA H H 8.507 0.001 1 420 59 60 ALA HA H 4.280 0.006 1 421 59 60 ALA HB H 1.381 0.002 1 422 59 60 ALA C C 177.421 0.000 1 423 59 60 ALA CA C 52.385 0.001 1 424 59 60 ALA CB C 19.246 0.003 1 425 59 60 ALA N N 129.025 0.021 1 426 60 61 ALA H H 8.420 0.001 1 427 60 61 ALA HA H 4.293 0.005 1 428 60 61 ALA HB H 1.387 0.002 1 429 60 61 ALA C C 178.091 0.000 1 430 60 61 ALA CA C 52.633 0.034 1 431 60 61 ALA CB C 19.117 0.008 1 432 60 61 ALA N N 124.217 0.029 1 433 61 62 VAL H H 8.212 0.001 1 434 61 62 VAL HA H 4.054 0.006 1 435 61 62 VAL HB H 2.057 0.002 1 436 61 62 VAL C C 176.401 0.019 1 437 61 62 VAL CA C 62.565 0.027 1 438 61 62 VAL CB C 32.734 0.001 1 439 61 62 VAL N N 119.987 0.024 1 440 62 63 GLU H H 8.488 0.002 1 441 62 63 GLU HA H 4.303 0.005 1 442 62 63 GLU HB2 H 1.952 0.004 1 443 62 63 GLU HB3 H 2.018 0.001 1 444 62 63 GLU C C 176.782 0.018 1 445 62 63 GLU CA C 56.555 0.027 1 446 62 63 GLU CB C 30.308 0.000 1 447 62 63 GLU N N 125.046 0.018 1 448 63 64 VAL H H 8.311 0.000 1 449 63 64 VAL HA H 4.004 0.005 1 450 63 64 VAL HB H 2.066 0.000 1 451 63 64 VAL C C 176.304 0.005 1 452 63 64 VAL CA C 62.823 0.033 1 453 63 64 VAL CB C 32.614 0.034 1 454 63 64 VAL N N 122.619 0.029 1 455 64 65 ALA H H 8.394 0.001 1 456 64 65 ALA HA H 4.274 0.004 1 457 64 65 ALA HB H 1.393 0.001 1 458 64 65 ALA C C 178.021 0.000 1 459 64 65 ALA CA C 52.789 0.011 1 460 64 65 ALA CB C 19.021 0.000 1 461 64 65 ALA N N 127.210 0.018 1 462 65 66 LYS H H 8.308 0.008 1 463 65 66 LYS HA H 4.259 0.004 1 464 65 66 LYS HB2 H 1.756 0.000 1 465 65 66 LYS HB3 H 1.832 0.001 1 466 65 66 LYS C C 176.918 0.010 1 467 65 66 LYS CA C 56.452 0.020 1 468 65 66 LYS CB C 33.050 0.013 1 469 65 66 LYS N N 120.938 0.028 1 470 66 67 LYS H H 8.330 0.001 1 471 66 67 LYS HA H 4.283 0.002 1 472 66 67 LYS HB2 H 1.773 0.000 1 473 66 67 LYS HB3 H 1.824 0.000 1 474 66 67 LYS C C 176.795 0.007 1 475 66 67 LYS CA C 56.483 0.017 1 476 66 67 LYS CB C 33.087 0.005 1 477 66 67 LYS N N 122.752 0.007 1 478 67 68 LYS H H 8.463 0.001 1 479 67 68 LYS HA H 4.314 0.005 1 480 67 68 LYS HB2 H 1.860 0.000 1 481 67 68 LYS HB3 H 1.784 0.000 1 482 67 68 LYS C C 176.823 0.012 1 483 67 68 LYS CA C 56.561 0.021 1 484 67 68 LYS CB C 33.121 0.001 1 485 67 68 LYS N N 123.268 0.026 1 486 68 69 SER H H 8.472 0.001 1 487 68 69 SER HA H 4.456 0.011 1 488 68 69 SER HB2 H 3.881 0.004 1 489 68 69 SER C C 174.487 0.061 1 490 68 69 SER CA C 58.432 0.013 1 491 68 69 SER CB C 63.822 0.004 1 492 68 69 SER N N 117.505 0.009 1 493 69 70 CYS H H 8.511 0.001 1 494 69 70 CYS HA H 4.565 0.005 1 495 69 70 CYS HB2 H 2.952 0.002 1 496 69 70 CYS C C 174.630 0.006 1 497 69 70 CYS CA C 58.493 0.018 1 498 69 70 CYS CB C 28.082 0.002 1 499 69 70 CYS N N 121.563 0.005 1 500 70 71 LEU H H 8.410 0.001 1 501 70 71 LEU HA H 4.396 0.005 1 502 70 71 LEU HB2 H 1.662 0.000 1 503 70 71 LEU HB3 H 1.612 0.000 1 504 70 71 LEU C C 177.410 0.005 1 505 70 71 LEU CA C 55.376 0.017 1 506 70 71 LEU CB C 42.305 0.004 1 507 70 71 LEU N N 124.718 0.010 1 508 71 72 SER H H 8.326 0.001 1 509 71 72 SER HA H 4.450 0.007 1 510 71 72 SER HB2 H 3.843 0.000 1 511 71 72 SER C C 173.641 0.001 1 512 71 72 SER CA C 58.032 0.019 1 513 71 72 SER CB C 63.900 0.001 1 514 71 72 SER N N 116.970 0.012 1 515 72 73 ALA H H 8.350 0.001 1 516 72 73 ALA HA H 4.601 0.000 1 517 72 73 ALA HB H 1.365 0.000 1 518 72 73 ALA CA C 50.580 0.000 1 519 72 73 ALA CB C 18.173 0.000 1 520 72 73 ALA N N 127.490 0.007 1 521 73 74 PRO HA H 4.419 0.000 1 522 73 74 PRO HB2 H 2.288 0.000 1 523 73 74 PRO HB3 H 1.865 0.000 1 524 73 74 PRO C C 176.748 0.000 1 525 73 74 PRO CA C 62.798 0.000 1 526 73 74 PRO CB C 32.097 0.000 1 527 74 75 LYS H H 8.547 0.001 1 528 74 75 LYS HA H 4.571 0.000 1 529 74 75 LYS HB2 H 1.723 0.000 1 530 74 75 LYS HB3 H 1.840 0.000 1 531 74 75 LYS C C 174.702 0.000 1 532 74 75 LYS CA C 54.132 0.015 1 533 74 75 LYS CB C 32.415 0.000 1 534 74 75 LYS N N 123.314 0.008 1 535 75 76 PRO HA H 4.408 0.000 1 536 75 76 PRO HB2 H 2.307 0.000 1 537 75 76 PRO HB3 H 1.879 0.000 1 538 75 76 PRO C C 176.721 0.000 1 539 75 76 PRO CA C 62.971 0.000 1 540 75 76 PRO CB C 32.183 0.000 1 541 76 77 ARG H H 8.551 0.001 1 542 76 77 ARG HA H 4.299 0.005 1 543 76 77 ARG HB2 H 1.774 0.002 1 544 76 77 ARG HB3 H 1.827 0.001 1 545 76 77 ARG C C 176.209 0.026 1 546 76 77 ARG CA C 56.008 0.019 1 547 76 77 ARG CB C 31.096 0.018 1 548 76 77 ARG N N 122.333 0.018 1 549 77 78 LYS H H 8.508 0.001 1 550 77 78 LYS HA H 4.337 0.004 1 551 77 78 LYS HB2 H 1.721 0.000 1 552 77 78 LYS HB3 H 1.785 0.000 1 553 77 78 LYS C C 176.176 0.004 1 554 77 78 LYS CA C 55.937 0.026 1 555 77 78 LYS CB C 33.191 0.003 1 556 77 78 LYS N N 124.001 0.018 1 557 78 79 GLU H H 8.611 0.002 1 558 78 79 GLU HA H 4.566 0.002 1 559 78 79 GLU HB2 H 1.845 0.000 1 560 78 79 GLU HB3 H 2.021 0.000 1 561 78 79 GLU C C 174.119 0.000 1 562 78 79 GLU CA C 54.318 0.002 1 563 78 79 GLU CB C 29.550 0.000 1 564 78 79 GLU N N 124.897 0.021 1 565 80 81 PRO HA H 4.437 0.000 1 566 80 81 PRO HB2 H 2.302 0.000 1 567 80 81 PRO HB3 H 1.859 0.000 1 568 80 81 PRO C C 176.812 0.000 1 569 80 81 PRO CA C 62.952 0.000 1 570 80 81 PRO CB C 32.099 0.000 1 571 81 82 SER H H 8.436 0.002 1 572 81 82 SER HA H 4.380 0.004 1 573 81 82 SER HB2 H 3.810 0.001 1 574 81 82 SER C C 173.972 0.006 1 575 81 82 SER CA C 58.094 0.023 1 576 81 82 SER CB C 63.911 0.032 1 577 81 82 SER N N 116.256 0.026 1 578 82 83 HIS H H 8.418 0.000 1 579 82 83 HIS HA H 4.899 0.000 1 580 82 83 HIS HB2 H 3.060 0.000 1 581 82 83 HIS HB3 H 3.123 0.000 1 582 82 83 HIS CA C 54.340 0.000 1 583 82 83 HIS CB C 30.227 0.000 1 584 82 83 HIS N N 122.197 0.011 1 585 83 84 PRO HA H 4.375 0.000 1 586 83 84 PRO HB2 H 2.292 0.000 1 587 83 84 PRO HB3 H 1.917 0.000 1 588 83 84 PRO C C 176.869 0.000 1 589 83 84 PRO CA C 63.515 0.000 1 590 83 84 PRO CB C 32.145 0.000 1 591 84 85 ALA H H 8.823 0.004 1 592 84 85 ALA HA H 4.320 0.005 1 593 84 85 ALA HB H 1.409 0.001 1 594 84 85 ALA C C 178.028 0.000 1 595 84 85 ALA CA C 52.613 0.006 1 596 84 85 ALA CB C 19.031 0.001 1 597 84 85 ALA N N 124.351 0.017 1 598 85 86 LEU H H 8.250 0.001 1 599 85 86 LEU HA H 4.334 0.003 1 600 85 86 LEU HB2 H 1.588 0.000 1 601 85 86 LEU HB3 H 1.657 0.000 1 602 85 86 LEU C C 177.497 0.005 1 603 85 86 LEU CA C 55.157 0.010 1 604 85 86 LEU CB C 42.297 0.008 1 605 85 86 LEU N N 121.322 0.018 1 606 86 87 ARG H H 8.340 0.001 1 607 86 87 ARG HA H 4.309 0.013 1 608 86 87 ARG HB2 H 1.774 0.001 1 609 86 87 ARG C C 176.248 0.000 1 610 86 87 ARG CA C 56.103 0.022 1 611 86 87 ARG CB C 30.696 0.011 1 612 86 87 ARG N N 122.103 0.022 1 613 87 88 GLN H H 8.464 0.000 1 614 87 88 GLN HA H 4.318 0.006 1 615 87 88 GLN HB2 H 2.091 0.000 1 616 87 88 GLN HB3 H 1.979 0.000 1 617 87 88 GLN C C 175.965 0.003 1 618 87 88 GLN CA C 55.756 0.021 1 619 87 88 GLN CB C 29.676 0.000 1 620 87 88 GLN N N 121.934 0.021 1 621 88 89 LYS H H 8.540 0.002 1 622 88 89 LYS HA H 4.356 0.008 1 623 88 89 LYS HB2 H 1.844 0.002 1 624 88 89 LYS HB3 H 1.769 0.000 1 625 88 89 LYS C C 176.686 0.000 1 626 88 89 LYS CA C 56.514 0.021 1 627 88 89 LYS CB C 33.116 0.001 1 628 88 89 LYS N N 123.318 0.013 1 629 89 90 THR H H 8.315 0.002 1 630 89 90 THR HA H 4.367 0.003 1 631 89 90 THR HB H 4.159 0.000 1 632 89 90 THR C C 174.404 0.019 1 633 89 90 THR CA C 61.964 0.011 1 634 89 90 THR CB C 69.980 0.024 1 635 89 90 THR N N 116.884 0.022 1 636 90 91 VAL H H 8.317 0.001 1 637 90 91 VAL HA H 4.117 0.012 1 638 90 91 VAL HB H 2.011 0.002 1 639 90 91 VAL C C 175.535 0.012 1 640 90 91 VAL CA C 62.072 0.008 1 641 90 91 VAL CB C 32.942 0.001 1 642 90 91 VAL N N 123.319 0.019 1 643 91 92 ALA H H 8.414 0.001 1 644 91 92 ALA HA H 4.295 0.006 1 645 91 92 ALA HB H 1.306 0.001 1 646 91 92 ALA C C 177.187 0.000 1 647 91 92 ALA CA C 52.194 0.007 1 648 91 92 ALA CB C 19.444 0.001 1 649 91 92 ALA N N 127.995 0.010 1 650 92 93 PHE H H 8.333 0.001 1 651 92 93 PHE HA H 4.550 0.001 1 652 92 93 PHE HB2 H 3.069 0.003 1 653 92 93 PHE HB3 H 3.147 0.005 1 654 92 93 PHE C C 176.404 0.000 1 655 92 93 PHE CA C 58.074 0.001 1 656 92 93 PHE CB C 39.574 0.002 1 657 92 93 PHE N N 120.311 0.009 1 658 93 94 GLY H H 8.401 0.004 1 659 93 94 GLY HA2 H 3.877 0.002 1 660 93 94 GLY C C 173.873 0.000 1 661 93 94 GLY CA C 45.200 0.003 1 662 93 94 GLY N N 110.763 0.015 1 663 94 95 LYS H H 8.189 0.003 1 664 94 95 LYS HA H 4.412 0.004 1 665 94 95 LYS HB2 H 1.855 0.001 1 666 94 95 LYS HB3 H 1.761 0.002 1 667 94 95 LYS C C 176.785 0.005 1 668 94 95 LYS CA C 56.112 0.033 1 669 94 95 LYS CB C 33.230 0.000 1 670 94 95 LYS N N 120.873 0.006 1 671 95 96 THR H H 8.332 0.001 1 672 95 96 THR HA H 4.374 0.002 1 673 95 96 THR HB H 4.169 0.000 1 674 95 96 THR C C 174.426 0.007 1 675 95 96 THR CA C 62.000 0.006 1 676 95 96 THR CB C 69.923 0.015 1 677 95 96 THR N N 116.514 0.023 1 678 96 97 VAL H H 8.317 0.002 1 679 96 97 VAL HA H 4.138 0.006 1 680 96 97 VAL HB H 2.043 0.004 1 681 96 97 VAL C C 175.558 0.010 1 682 96 97 VAL CA C 62.082 0.006 1 683 96 97 VAL CB C 32.992 0.002 1 684 96 97 VAL N N 123.104 0.027 1 685 97 98 ASN H H 8.647 0.002 1 686 97 98 ASN HA H 4.774 0.005 1 687 97 98 ASN HB2 H 2.714 0.003 1 688 97 98 ASN HB3 H 2.829 0.001 1 689 97 98 ASN C C 175.265 0.005 1 690 97 98 ASN CA C 53.069 0.019 1 691 97 98 ASN CB C 39.010 0.001 1 692 97 98 ASN N N 123.441 0.018 1 693 98 99 VAL H H 8.335 0.002 1 694 98 99 VAL HA H 4.169 0.005 1 695 98 99 VAL HB H 2.125 0.001 1 696 98 99 VAL C C 176.326 0.007 1 697 98 99 VAL CA C 62.361 0.013 1 698 98 99 VAL CB C 32.697 0.013 1 699 98 99 VAL N N 121.202 0.031 1 700 99 100 SER H H 8.511 0.002 1 701 99 100 SER HA H 4.454 0.006 1 702 99 100 SER HB2 H 3.877 0.001 1 703 99 100 SER C C 174.567 0.005 1 704 99 100 SER CA C 58.573 0.014 1 705 99 100 SER CB C 63.718 0.004 1 706 99 100 SER N N 119.521 0.012 1 707 100 101 GLN H H 8.514 0.002 1 708 100 101 GLN HA H 4.428 0.008 1 709 100 101 GLN HB2 H 2.149 0.004 1 710 100 101 GLN HB3 H 1.994 0.000 1 711 100 101 GLN C C 176.120 0.000 1 712 100 101 GLN CA C 55.871 0.030 1 713 100 101 GLN CB C 29.612 0.005 1 714 100 101 GLN N N 122.608 0.027 1 715 101 102 THR H H 8.329 0.003 1 716 101 102 THR HA H 4.371 0.001 1 717 101 102 THR HB H 4.210 0.002 1 718 101 102 THR C C 174.617 0.005 1 719 101 102 THR CA C 61.991 0.007 1 720 101 102 THR CB C 69.972 0.021 1 721 101 102 THR N N 116.318 0.028 1 722 102 103 VAL H H 8.375 0.001 1 723 102 103 VAL HA H 4.129 0.007 1 724 102 103 VAL HB H 2.075 0.001 1 725 102 103 VAL C C 176.404 0.010 1 726 102 103 VAL CA C 62.512 0.029 1 727 102 103 VAL CB C 32.746 0.026 1 728 102 103 VAL N N 123.195 0.015 1 729 103 104 GLU H H 8.674 0.002 1 730 103 104 GLU HA H 4.278 0.006 1 731 103 104 GLU HB2 H 1.976 0.002 1 732 103 104 GLU HB3 H 2.049 0.000 1 733 103 104 GLU C C 177.225 0.006 1 734 103 104 GLU CA C 57.017 0.015 1 735 103 104 GLU CB C 30.242 0.001 1 736 103 104 GLU N N 125.250 0.010 1 737 104 105 GLY H H 8.562 0.002 1 738 104 105 GLY HA2 H 4.021 0.001 1 739 104 105 GLY C C 174.659 0.000 1 740 104 105 GLY CA C 45.516 0.004 1 741 104 105 GLY N N 110.307 0.013 1 742 105 106 THR H H 8.165 0.004 1 743 105 106 THR HA H 4.387 0.006 1 744 105 106 THR HB H 4.287 0.006 1 745 105 106 THR C C 175.094 0.012 1 746 105 106 THR CA C 62.125 0.013 1 747 105 106 THR CB C 69.921 0.002 1 748 105 106 THR N N 113.476 0.007 1 749 106 107 SER H H 8.474 0.003 1 750 106 107 SER HA H 4.472 0.007 1 751 106 107 SER HB2 H 3.913 0.000 1 752 106 107 SER C C 175.011 0.006 1 753 106 107 SER CA C 58.657 0.036 1 754 106 107 SER CB C 63.737 0.025 1 755 106 107 SER N N 118.242 0.012 1 756 107 108 ARG H H 8.486 0.002 1 757 107 108 ARG HA H 4.323 0.004 1 758 107 108 ARG HB2 H 1.872 0.002 1 759 107 108 ARG HB3 H 1.776 0.002 1 760 107 108 ARG C C 176.356 0.003 1 761 107 108 ARG CA C 56.623 0.018 1 762 107 108 ARG CB C 30.512 0.002 1 763 107 108 ARG N N 122.948 0.019 1 764 108 109 ASN H H 8.454 0.003 1 765 108 109 ASN HA H 4.744 0.006 1 766 108 109 ASN HB2 H 2.765 0.000 1 767 108 109 ASN HB3 H 2.873 0.001 1 768 108 109 ASN C C 175.385 0.005 1 769 108 109 ASN CA C 53.311 0.021 1 770 108 109 ASN CB C 38.824 0.003 1 771 108 109 ASN N N 119.183 0.009 1 772 109 110 SER H H 8.290 0.003 1 773 109 110 SER HA H 4.405 0.008 1 774 109 110 SER HB2 H 3.895 0.000 1 775 109 110 SER C C 174.591 0.000 1 776 109 110 SER CA C 58.709 0.019 1 777 109 110 SER CB C 63.816 0.010 1 778 109 110 SER N N 116.622 0.019 1 779 110 111 LYS H H 8.386 0.001 1 780 110 111 LYS HA H 4.307 0.004 1 781 110 111 LYS HB2 H 1.763 0.002 1 782 110 111 LYS HB3 H 1.851 0.002 1 783 110 111 LYS C C 176.575 0.008 1 784 110 111 LYS CA C 56.473 0.003 1 785 110 111 LYS CB C 32.886 0.001 1 786 110 111 LYS N N 123.201 0.003 1 787 111 112 LYS H H 8.313 0.000 1 788 111 112 LYS HA H 4.306 0.003 1 789 111 112 LYS HB2 H 1.770 0.000 1 790 111 112 LYS C C 176.535 0.008 1 791 111 112 LYS CA C 56.459 0.015 1 792 111 112 LYS CB C 33.114 0.000 1 793 111 112 LYS N N 123.087 0.020 1 794 112 113 VAL H H 8.294 0.001 1 795 112 113 VAL HA H 4.063 0.006 1 796 112 113 VAL HB H 2.035 0.000 1 797 112 113 VAL C C 176.214 0.006 1 798 112 113 VAL CA C 62.413 0.007 1 799 112 113 VAL CB C 32.730 0.000 1 800 112 113 VAL N N 123.001 0.033 1 801 113 114 LEU H H 8.462 0.001 1 802 113 114 LEU HA H 4.373 0.005 1 803 113 114 LEU HB2 H 1.637 0.000 1 804 113 114 LEU HB3 H 1.600 0.007 1 805 113 114 LEU C C 177.201 0.005 1 806 113 114 LEU CA C 54.958 0.015 1 807 113 114 LEU CB C 42.379 0.001 1 808 113 114 LEU N N 126.985 0.010 1 809 114 115 ALA H H 8.437 0.002 1 810 114 115 ALA HA H 4.323 0.005 1 811 114 115 ALA HB H 1.419 0.000 1 812 114 115 ALA C C 178.032 0.000 1 813 114 115 ALA CA C 52.734 0.020 1 814 114 115 ALA CB C 19.201 0.002 1 815 114 115 ALA N N 125.495 0.011 1 816 115 116 SER H H 8.398 0.002 1 817 115 116 SER HA H 4.480 0.006 1 818 115 116 SER HB2 H 3.948 0.010 1 819 115 116 SER HB3 H 3.879 0.013 1 820 115 116 SER C C 175.146 0.005 1 821 115 116 SER CA C 58.508 0.021 1 822 115 116 SER CB C 63.735 0.003 1 823 115 116 SER N N 115.042 0.009 1 824 116 117 THR H H 8.211 0.003 1 825 116 117 THR HA H 4.368 0.005 1 826 116 117 THR HB H 4.290 0.000 1 827 116 117 THR C C 174.816 0.008 1 828 116 117 THR CA C 62.139 0.020 1 829 116 117 THR CB C 69.681 0.001 1 830 116 117 THR N N 115.720 0.007 1 831 117 118 MET H H 8.366 0.002 1 832 117 118 MET HA H 4.530 0.006 1 833 117 118 MET HB2 H 2.128 0.002 1 834 117 118 MET HB3 H 2.026 0.003 1 835 117 118 MET C C 176.394 0.004 1 836 117 118 MET CA C 55.674 0.016 1 837 117 118 MET CB C 32.760 0.008 1 838 117 118 MET N N 122.462 0.048 1 839 118 119 SER H H 8.382 0.002 1 840 118 119 SER HA H 4.440 0.007 1 841 118 119 SER HB2 H 3.885 0.001 1 842 118 119 SER C C 174.390 0.001 1 843 118 119 SER CA C 58.433 0.015 1 844 118 119 SER CB C 63.868 0.007 1 845 118 119 SER N N 117.268 0.009 1 846 119 120 ALA H H 8.448 0.001 1 847 119 120 ALA HA H 4.338 0.007 1 848 119 120 ALA HB H 1.411 0.001 1 849 119 120 ALA C C 177.705 0.000 1 850 119 120 ALA CA C 52.670 0.007 1 851 119 120 ALA CB C 19.158 0.001 1 852 119 120 ALA N N 126.047 0.005 1 853 120 121 GLN H H 8.402 0.002 1 854 120 121 GLN HA H 4.343 0.005 1 855 120 121 GLN HB2 H 2.129 0.000 1 856 120 121 GLN HB3 H 1.990 0.002 1 857 120 121 GLN C C 175.745 0.005 1 858 120 121 GLN CA C 55.821 0.013 1 859 120 121 GLN CB C 29.540 0.001 1 860 120 121 GLN N N 119.193 0.003 1 861 121 122 ASN H H 8.533 0.003 1 862 121 122 ASN HA H 4.803 0.005 1 863 121 122 ASN HB2 H 2.888 0.000 1 864 121 122 ASN HB3 H 2.778 0.002 1 865 121 122 ASN C C 174.546 0.005 1 866 121 122 ASN CA C 53.461 0.012 1 867 121 122 ASN CB C 38.938 0.007 1 868 121 122 ASN N N 120.113 0.009 1 869 122 123 THR H H 7.824 0.004 1 870 122 123 THR HA H 4.156 0.000 1 871 122 123 THR HB H 4.253 0.000 1 872 122 123 THR C C 179.304 0.000 1 873 122 123 THR CA C 63.273 0.003 1 874 122 123 THR CB C 70.804 0.000 1 875 122 123 THR N N 119.029 0.005 1 stop_ save_