data_18189 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DocA ; _BMRB_accession_number 18189 _BMRB_flat_file_name bmr18189.str _Entry_type original _Submission_date 2012-01-09 _Accession_date 2012-01-09 _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 Feng Yingang . . 2 Cui Zhenling . . 3 Li Yifei . . 4 Cui Qiu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 361 "13C chemical shifts" 266 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-03-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of cohesin and dockerin domains from Clostridium acetobutylicum ATCC824.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22446850 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui Zhenling . . 2 Li Yifei . . 3 Xiao Yan . . 4 Feng Yingang . . 5 Cui Qui . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 73 _Page_last 76 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DocA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DocA $DocA 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_DocA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DocA _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; GSASNTILGDLNDDGVVNGR DIVMMRQYLAGKTVSGIDKN ALDINGDGAVNGRDLMELIK KVSNNTS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 ALA 4 0 SER 5 1 ASN 6 2 THR 7 3 ILE 8 4 LEU 9 5 GLY 10 6 ASP 11 7 LEU 12 8 ASN 13 9 ASP 14 10 ASP 15 11 GLY 16 12 VAL 17 13 VAL 18 14 ASN 19 15 GLY 20 16 ARG 21 17 ASP 22 18 ILE 23 19 VAL 24 20 MET 25 21 MET 26 22 ARG 27 23 GLN 28 24 TYR 29 25 LEU 30 26 ALA 31 27 GLY 32 28 LYS 33 29 THR 34 30 VAL 35 31 SER 36 32 GLY 37 33 ILE 38 34 ASP 39 35 LYS 40 36 ASN 41 37 ALA 42 38 LEU 43 39 ASP 44 40 ILE 45 41 ASN 46 42 GLY 47 43 ASP 48 44 GLY 49 45 ALA 50 46 VAL 51 47 ASN 52 48 GLY 53 49 ARG 54 50 ASP 55 51 LEU 56 52 MET 57 53 GLU 58 54 LEU 59 55 ILE 60 56 LYS 61 57 LYS 62 58 VAL 63 59 SER 64 60 ASN 65 61 ASN 66 62 THR 67 63 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 GB AAK78893 "and cellulose-binding endoglucanase family 9; CelL ortholog; dockerin domain [Clostridium acetobutylicum ATCC 824]" 92.54 537 98.39 100.00 2.26e-31 GB ADZ19968 "and cellulose-binding endoglucanase family 9 [Clostridium acetobutylicum EA 2018]" 92.54 537 98.39 100.00 2.26e-31 GB AEI31499 "glycoside hydorlase [Clostridium acetobutylicum DSM 1731]" 92.54 537 98.39 100.00 2.26e-31 GB KHD35937 "glycoside hydrolase [Clostridium acetobutylicum]" 92.54 537 98.39 100.00 2.52e-31 REF NP_347553 "glycoside hydorlase [Clostridium acetobutylicum ATCC 824]" 92.54 537 98.39 100.00 2.26e-31 REF WP_010964235 "glycoside hydrolase [Clostridium acetobutylicum]" 92.54 537 98.39 100.00 2.26e-31 REF WP_034584222 "glycoside hydrolase [Clostridium acetobutylicum]" 92.54 537 98.39 100.00 2.52e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $DocA 'Clostridium acetobutylicum' 1488 Bacteria . Clostridium acetobutylicum ATCC824 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 $DocA 'recombinant technology' . Escherichia coli . pET28aNS 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 $DocA 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium chloride' 1 mM 'natural abundance' 'sodium azide' 0.01 '% w/v' 'natural abundance' DSS 0.05 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 121 . mM pH 4.8 . 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 HCCH-TOCSY' 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 DocA _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 -3 1 GLY HA2 H 3.9070 0.02 2 2 -3 1 GLY HA3 H 3.9070 0.02 2 3 -3 1 GLY C C 170.3630 0.3 1 4 -3 1 GLY CA C 43.4160 0.3 1 5 -2 2 SER H H 8.6920 0.02 1 6 -2 2 SER HA H 4.4970 0.02 1 7 -2 2 SER HB2 H 3.8880 0.02 2 8 -2 2 SER HB3 H 3.8880 0.02 2 9 -2 2 SER C C 174.4230 0.3 1 10 -2 2 SER CA C 58.4450 0.3 1 11 -2 2 SER CB C 64.0390 0.3 1 12 -2 2 SER N N 116.5930 0.2 1 13 -1 3 ALA H H 8.5640 0.02 1 14 -1 3 ALA HA H 4.3850 0.02 1 15 -1 3 ALA HB H 1.4000 0.02 1 16 -1 3 ALA C C 177.8870 0.3 1 17 -1 3 ALA CA C 52.6600 0.3 1 18 -1 3 ALA CB C 19.2630 0.3 1 19 -1 3 ALA N N 126.9790 0.2 1 20 0 4 SER H H 8.3020 0.02 1 21 0 4 SER HA H 4.4130 0.02 1 22 0 4 SER HB2 H 3.8420 0.02 2 23 0 4 SER C C 174.2940 0.3 1 24 0 4 SER CA C 58.4900 0.3 1 25 0 4 SER CB C 63.8630 0.3 1 26 0 4 SER N N 115.6200 0.2 1 27 1 5 ASN H H 8.4190 0.02 1 28 1 5 ASN HA H 4.7660 0.02 1 29 1 5 ASN HB2 H 2.7120 0.02 2 30 1 5 ASN HB3 H 2.7960 0.02 2 31 1 5 ASN HD21 H 7.6030 0.02 2 32 1 5 ASN HD22 H 6.8870 0.02 2 33 1 5 ASN C C 174.7490 0.3 1 34 1 5 ASN CA C 53.0710 0.3 1 35 1 5 ASN CB C 39.0650 0.3 1 36 1 5 ASN N N 121.4190 0.2 1 37 1 5 ASN ND2 N 113.7000 0.2 1 38 2 6 THR H H 8.0780 0.02 1 39 2 6 THR HA H 4.1310 0.02 1 40 2 6 THR HB H 3.8210 0.02 1 41 2 6 THR HG2 H 0.9490 0.02 1 42 2 6 THR C C 174.0540 0.3 1 43 2 6 THR CA C 63.2730 0.3 1 44 2 6 THR CB C 70.1870 0.3 1 45 2 6 THR CG2 C 21.1530 0.3 1 46 2 6 THR N N 118.7170 0.2 1 47 3 7 ILE H H 8.8050 0.02 1 48 3 7 ILE HA H 4.0720 0.02 1 49 3 7 ILE HB H 1.8370 0.02 1 50 3 7 ILE HG12 H 0.9800 0.02 2 51 3 7 ILE HG13 H 1.5560 0.02 2 52 3 7 ILE HG2 H 0.7060 0.02 1 53 3 7 ILE HD1 H 0.8070 0.02 1 54 3 7 ILE C C 176.0750 0.3 1 55 3 7 ILE CA C 60.4300 0.3 1 56 3 7 ILE CB C 39.0690 0.3 1 57 3 7 ILE CG1 C 27.0630 0.3 1 58 3 7 ILE CG2 C 16.9470 0.3 1 59 3 7 ILE CD1 C 13.3830 0.3 1 60 3 7 ILE N N 129.7310 0.2 1 61 4 8 LEU H H 8.5980 0.02 1 62 4 8 LEU HA H 3.8490 0.02 1 63 4 8 LEU HB2 H 1.1040 0.02 2 64 4 8 LEU HB3 H 1.7670 0.02 2 65 4 8 LEU HG H 1.6950 0.02 1 66 4 8 LEU HD1 H 0.9540 0.02 2 67 4 8 LEU HD2 H 0.7380 0.02 2 68 4 8 LEU C C 177.3720 0.3 1 69 4 8 LEU CA C 56.8350 0.3 1 70 4 8 LEU CB C 41.4260 0.3 1 71 4 8 LEU CG C 26.7490 0.3 1 72 4 8 LEU CD1 C 25.1000 0.3 2 73 4 8 LEU CD2 C 22.6610 0.3 2 74 4 8 LEU N N 128.8070 0.2 1 75 5 9 GLY H H 8.9340 0.02 1 76 5 9 GLY HA2 H 3.2320 0.02 2 77 5 9 GLY HA3 H 4.1420 0.02 2 78 5 9 GLY C C 170.6080 0.3 1 79 5 9 GLY CA C 45.8550 0.3 1 80 5 9 GLY N N 111.6720 0.2 1 81 6 10 ASP H H 7.9800 0.02 1 82 6 10 ASP HA H 4.8890 0.02 1 83 6 10 ASP HB2 H 1.8650 0.02 2 84 6 10 ASP HB3 H 3.2220 0.02 2 85 6 10 ASP C C 176.3880 0.3 1 86 6 10 ASP CA C 51.8620 0.3 1 87 6 10 ASP CB C 38.8880 0.3 1 88 6 10 ASP N N 118.2430 0.2 1 89 7 11 LEU H H 8.2690 0.02 1 90 7 11 LEU HA H 3.8870 0.02 1 91 7 11 LEU HB2 H 1.6650 0.02 2 92 7 11 LEU HB3 H 1.7960 0.02 2 93 7 11 LEU HG H 1.6520 0.02 1 94 7 11 LEU HD1 H 0.9080 0.02 2 95 7 11 LEU HD2 H 0.7550 0.02 2 96 7 11 LEU C C 176.7170 0.3 1 97 7 11 LEU CA C 57.7640 0.3 1 98 7 11 LEU CB C 42.4230 0.3 1 99 7 11 LEU CG C 29.9420 0.3 1 100 7 11 LEU CD1 C 25.5200 0.3 2 101 7 11 LEU CD2 C 25.5200 0.3 2 102 7 11 LEU N N 124.2160 0.2 1 103 8 12 ASN H H 7.7870 0.02 1 104 8 12 ASN HA H 4.8730 0.02 1 105 8 12 ASN HB2 H 2.6360 0.02 2 106 8 12 ASN HB3 H 3.3050 0.02 2 107 8 12 ASN HD21 H 8.0940 0.02 2 108 8 12 ASN HD22 H 6.7750 0.02 2 109 8 12 ASN C C 174.8440 0.3 1 110 8 12 ASN CA C 50.4160 0.3 1 111 8 12 ASN CB C 37.2780 0.3 1 112 8 12 ASN N N 111.4270 0.2 1 113 8 12 ASN ND2 N 112.8670 0.2 1 114 9 13 ASP H H 7.4380 0.02 1 115 9 13 ASP HA H 4.5450 0.02 1 116 9 13 ASP HB2 H 2.7910 0.02 2 117 9 13 ASP HB3 H 3.1380 0.02 2 118 9 13 ASP C C 174.7260 0.3 1 119 9 13 ASP CA C 55.3990 0.3 1 120 9 13 ASP CB C 38.0110 0.3 1 121 9 13 ASP N N 115.0760 0.2 1 122 10 14 ASP H H 8.6800 0.02 1 123 10 14 ASP HA H 4.7790 0.02 1 124 10 14 ASP HB2 H 2.3560 0.02 2 125 10 14 ASP HB3 H 3.0960 0.02 2 126 10 14 ASP C C 178.1950 0.3 1 127 10 14 ASP CA C 53.0370 0.3 1 128 10 14 ASP CB C 40.6760 0.3 1 129 10 14 ASP N N 118.5060 0.2 1 130 11 15 GLY H H 10.4830 0.02 1 131 11 15 GLY HA2 H 3.4510 0.02 2 132 11 15 GLY HA3 H 4.1880 0.02 2 133 11 15 GLY C C 173.4670 0.3 1 134 11 15 GLY CA C 45.4730 0.3 1 135 11 15 GLY N N 113.4180 0.2 1 136 12 16 VAL H H 7.7160 0.02 1 137 12 16 VAL HA H 4.5310 0.02 1 138 12 16 VAL HB H 1.9420 0.02 1 139 12 16 VAL HG1 H 0.7640 0.02 2 140 12 16 VAL HG2 H 0.8320 0.02 2 141 12 16 VAL C C 173.9330 0.3 1 142 12 16 VAL CA C 59.3010 0.3 1 143 12 16 VAL CB C 35.9090 0.3 1 144 12 16 VAL CG1 C 20.6090 0.3 2 145 12 16 VAL CG2 C 21.5250 0.3 2 146 12 16 VAL N N 116.5560 0.2 1 147 13 17 VAL H H 8.9640 0.02 1 148 13 17 VAL HA H 4.6630 0.02 1 149 13 17 VAL HB H 1.9460 0.02 1 150 13 17 VAL HG1 H 0.6530 0.02 2 151 13 17 VAL HG2 H 0.7480 0.02 2 152 13 17 VAL C C 174.8960 0.3 1 153 13 17 VAL CA C 61.4460 0.3 1 154 13 17 VAL CB C 30.8600 0.3 1 155 13 17 VAL CG1 C 21.3460 0.3 2 156 13 17 VAL CG2 C 21.3460 0.3 2 157 13 17 VAL N N 130.4600 0.2 1 158 14 18 ASN H H 10.5030 0.02 1 159 14 18 ASN HA H 4.8340 0.02 1 160 14 18 ASN HB2 H 2.9130 0.02 2 161 14 18 ASN HB3 H 3.4470 0.02 2 162 14 18 ASN HD21 H 7.9600 0.02 2 163 14 18 ASN HD22 H 7.4640 0.02 2 164 14 18 ASN C C 176.2240 0.3 1 165 14 18 ASN CA C 51.8770 0.3 1 166 14 18 ASN CB C 38.9560 0.3 1 167 14 18 ASN N N 128.6490 0.2 1 168 14 18 ASN ND2 N 114.7280 0.2 1 169 15 19 GLY H H 8.8080 0.02 1 170 15 19 GLY HA2 H 3.8150 0.02 2 171 15 19 GLY HA3 H 4.0760 0.02 2 172 15 19 GLY C C 176.5720 0.3 1 173 15 19 GLY CA C 47.5060 0.3 1 174 15 19 GLY N N 105.3200 0.2 1 175 16 20 ARG H H 7.8310 0.02 1 176 16 20 ARG HA H 4.1460 0.02 1 177 16 20 ARG HB2 H 1.8910 0.02 2 178 16 20 ARG HB3 H 1.9760 0.02 2 179 16 20 ARG HG2 H 1.6600 0.02 2 180 16 20 ARG HG3 H 1.7210 0.02 2 181 16 20 ARG HD2 H 3.1680 0.02 2 182 16 20 ARG HD3 H 3.2570 0.02 2 183 16 20 ARG C C 179.2370 0.3 1 184 16 20 ARG CA C 58.6880 0.3 1 185 16 20 ARG CB C 29.0010 0.3 1 186 16 20 ARG CG C 27.1720 0.3 1 187 16 20 ARG CD C 43.1460 0.3 1 188 16 20 ARG N N 121.3470 0.2 1 189 17 21 ASP H H 7.6110 0.02 1 190 17 21 ASP HA H 4.4180 0.02 1 191 17 21 ASP HB2 H 3.1640 0.02 2 192 17 21 ASP HB3 H 3.3150 0.02 2 193 17 21 ASP C C 177.9290 0.3 1 194 17 21 ASP CA C 58.2600 0.3 1 195 17 21 ASP CB C 41.9050 0.3 1 196 17 21 ASP N N 118.6730 0.2 1 197 18 22 ILE H H 7.1790 0.02 1 198 18 22 ILE HA H 3.5040 0.02 1 199 18 22 ILE HB H 2.0980 0.02 1 200 18 22 ILE HG12 H 0.7440 0.02 2 201 18 22 ILE HG13 H 1.0370 0.02 2 202 18 22 ILE HG2 H 0.9060 0.02 1 203 18 22 ILE HD1 H 0.8630 0.02 1 204 18 22 ILE C C 177.4460 0.3 1 205 18 22 ILE CA C 66.2340 0.3 1 206 18 22 ILE CB C 37.6230 0.3 1 207 18 22 ILE CG1 C 30.1540 0.3 1 208 18 22 ILE CG2 C 17.3590 0.3 1 209 18 22 ILE CD1 C 14.4120 0.3 1 210 18 22 ILE N N 118.1710 0.2 1 211 19 23 VAL H H 7.6100 0.02 1 212 19 23 VAL HA H 3.5410 0.02 1 213 19 23 VAL HB H 2.1640 0.02 1 214 19 23 VAL HG1 H 0.9360 0.02 2 215 19 23 VAL HG2 H 1.1090 0.02 2 216 19 23 VAL C C 178.6170 0.3 1 217 19 23 VAL CA C 67.1890 0.3 1 218 19 23 VAL CB C 31.9070 0.3 1 219 19 23 VAL CG1 C 20.9810 0.3 2 220 19 23 VAL CG2 C 22.8830 0.3 2 221 19 23 VAL N N 119.6700 0.2 1 222 20 24 MET H H 7.4970 0.02 1 223 20 24 MET HA H 4.0100 0.02 1 224 20 24 MET HB2 H 2.0080 0.02 2 225 20 24 MET HB3 H 2.2070 0.02 2 226 20 24 MET HG2 H 2.8880 0.02 2 227 20 24 MET HG3 H 2.8800 0.02 2 228 20 24 MET C C 177.4760 0.3 1 229 20 24 MET CA C 59.8760 0.3 1 230 20 24 MET CB C 34.4340 0.3 1 231 20 24 MET CG C 32.8850 0.3 1 232 20 24 MET N N 117.5150 0.2 1 233 21 25 MET H H 8.2830 0.02 1 234 21 25 MET HA H 4.1300 0.02 1 235 21 25 MET HB2 H 2.0070 0.02 2 236 21 25 MET HB3 H 2.3110 0.02 2 237 21 25 MET HG2 H 2.3540 0.02 2 238 21 25 MET HG3 H 2.5550 0.02 2 239 21 25 MET C C 178.0790 0.3 1 240 21 25 MET CA C 58.1650 0.3 1 241 21 25 MET CB C 31.7430 0.3 1 242 21 25 MET CG C 34.5790 0.3 1 243 21 25 MET N N 120.3810 0.2 1 244 22 26 ARG H H 8.6770 0.02 1 245 22 26 ARG HA H 3.8730 0.02 1 246 22 26 ARG HB2 H 1.8280 0.02 2 247 22 26 ARG HB3 H 1.9960 0.02 2 248 22 26 ARG HG2 H 1.6240 0.02 2 249 22 26 ARG HG3 H 1.8960 0.02 2 250 22 26 ARG HD2 H 3.1630 0.02 2 251 22 26 ARG HD3 H 3.2230 0.02 2 252 22 26 ARG HE H 7.2070 0.02 1 253 22 26 ARG C C 180.2110 0.3 1 254 22 26 ARG CA C 60.8870 0.3 1 255 22 26 ARG CB C 30.1960 0.3 1 256 22 26 ARG CG C 29.4510 0.3 1 257 22 26 ARG CD C 43.7370 0.3 1 258 22 26 ARG N N 119.2920 0.2 1 259 22 26 ARG NE N 85.0980 0.2 1 260 23 27 GLN H H 8.1270 0.02 1 261 23 27 GLN HA H 4.0040 0.02 1 262 23 27 GLN HB2 H 1.7990 0.02 2 263 23 27 GLN HB3 H 2.3070 0.02 2 264 23 27 GLN HG2 H 2.3220 0.02 2 265 23 27 GLN HG3 H 2.6720 0.02 2 266 23 27 GLN HE21 H 7.2330 0.02 2 267 23 27 GLN HE22 H 6.7020 0.02 2 268 23 27 GLN C C 177.7940 0.3 1 269 23 27 GLN CA C 59.1870 0.3 1 270 23 27 GLN CB C 28.7150 0.3 1 271 23 27 GLN CG C 34.2360 0.3 1 272 23 27 GLN N N 119.0910 0.2 1 273 23 27 GLN NE2 N 110.9140 0.2 1 274 24 28 TYR H H 8.6730 0.02 1 275 24 28 TYR HA H 4.0940 0.02 1 276 24 28 TYR HB2 H 3.0580 0.02 2 277 24 28 TYR HB3 H 3.1680 0.02 2 278 24 28 TYR HD1 H 6.9960 0.02 3 279 24 28 TYR HD2 H 6.9960 0.02 3 280 24 28 TYR HE1 H 6.7720 0.02 3 281 24 28 TYR HE2 H 6.7720 0.02 3 282 24 28 TYR C C 181.2070 0.3 1 283 24 28 TYR CA C 62.2780 0.3 1 284 24 28 TYR CB C 38.7500 0.3 1 285 24 28 TYR CD1 C 132.9540 0.3 3 286 24 28 TYR CD2 C 132.9540 0.3 3 287 24 28 TYR CE1 C 118.6540 0.3 3 288 24 28 TYR CE2 C 118.6540 0.3 3 289 24 28 TYR N N 122.2630 0.2 1 290 25 29 LEU H H 8.7990 0.02 1 291 25 29 LEU HA H 4.0360 0.02 1 292 25 29 LEU HB2 H 1.5340 0.02 2 293 25 29 LEU HB3 H 1.9320 0.02 2 294 25 29 LEU HG H 2.0520 0.02 1 295 25 29 LEU HD1 H 0.9220 0.02 2 296 25 29 LEU HD2 H 0.9220 0.02 2 297 25 29 LEU C C 178.1220 0.3 1 298 25 29 LEU CA C 57.1590 0.3 1 299 25 29 LEU CB C 41.3500 0.3 1 300 25 29 LEU CG C 27.1640 0.3 1 301 25 29 LEU CD1 C 22.1610 0.3 2 302 25 29 LEU CD2 C 27.5200 0.3 2 303 25 29 LEU N N 121.0430 0.2 1 304 26 30 ALA H H 7.5000 0.02 1 305 26 30 ALA HA H 4.4070 0.02 1 306 26 30 ALA HB H 1.5350 0.02 1 307 26 30 ALA C C 177.7260 0.3 1 308 26 30 ALA CA C 52.2020 0.3 1 309 26 30 ALA CB C 18.7720 0.3 1 310 26 30 ALA N N 120.7830 0.2 1 311 27 31 GLY H H 7.7330 0.02 1 312 27 31 GLY HA2 H 3.6550 0.02 2 313 27 31 GLY HA3 H 4.0950 0.02 2 314 27 31 GLY C C 174.9730 0.3 1 315 27 31 GLY CA C 45.5030 0.3 1 316 27 31 GLY N N 107.0690 0.2 1 317 28 32 LYS H H 7.6370 0.02 1 318 28 32 LYS HA H 4.3380 0.02 1 319 28 32 LYS HB2 H 1.5300 0.02 2 320 28 32 LYS HB3 H 1.7650 0.02 2 321 28 32 LYS HG2 H 1.3560 0.02 2 322 28 32 LYS HG3 H 1.4100 0.02 2 323 28 32 LYS HD2 H 1.5840 0.02 2 324 28 32 LYS HD3 H 1.5840 0.02 2 325 28 32 LYS HE2 H 2.9310 0.02 2 326 28 32 LYS HE3 H 2.9670 0.02 2 327 28 32 LYS C C 176.5120 0.3 1 328 28 32 LYS CA C 54.9990 0.3 1 329 28 32 LYS CB C 32.6830 0.3 1 330 28 32 LYS CG C 24.9430 0.3 1 331 28 32 LYS CD C 28.4920 0.3 1 332 28 32 LYS CE C 42.4080 0.3 1 333 28 32 LYS N N 119.9350 0.2 1 334 29 33 THR H H 8.5590 0.02 1 335 29 33 THR HA H 4.2460 0.02 1 336 29 33 THR HB H 4.0690 0.02 1 337 29 33 THR HG2 H 1.1840 0.02 1 338 29 33 THR C C 174.4090 0.3 1 339 29 33 THR CA C 63.0890 0.3 1 340 29 33 THR CB C 68.8870 0.3 1 341 29 33 THR CG2 C 21.4310 0.3 1 342 29 33 THR N N 119.6100 0.2 1 343 30 34 VAL H H 9.0960 0.02 1 344 30 34 VAL HA H 4.1650 0.02 1 345 30 34 VAL HB H 2.1350 0.02 1 346 30 34 VAL HG1 H 1.0000 0.02 2 347 30 34 VAL HG2 H 0.9470 0.02 2 348 30 34 VAL C C 175.9140 0.3 1 349 30 34 VAL CA C 61.3120 0.3 1 350 30 34 VAL CB C 32.4400 0.3 1 351 30 34 VAL CG1 C 20.6840 0.3 2 352 30 34 VAL CG2 C 22.7830 0.3 2 353 30 34 VAL N N 130.6030 0.2 1 354 31 35 SER H H 8.7410 0.02 1 355 31 35 SER HA H 4.2700 0.02 1 356 31 35 SER HB2 H 3.8440 0.02 2 357 31 35 SER HB3 H 3.8440 0.02 2 358 31 35 SER C C 175.9200 0.3 1 359 31 35 SER CA C 59.7990 0.3 1 360 31 35 SER CB C 63.0300 0.3 1 361 31 35 SER N N 124.0480 0.2 1 362 32 36 GLY H H 8.9490 0.02 1 363 32 36 GLY HA2 H 3.7680 0.02 2 364 32 36 GLY HA3 H 3.9710 0.02 2 365 32 36 GLY C C 174.3580 0.3 1 366 32 36 GLY CA C 45.7920 0.3 1 367 32 36 GLY N N 113.7020 0.2 1 368 33 37 ILE H H 7.2060 0.02 1 369 33 37 ILE HA H 4.1030 0.02 1 370 33 37 ILE HB H 1.6170 0.02 1 371 33 37 ILE HG12 H 0.8420 0.02 2 372 33 37 ILE HG13 H 1.4680 0.02 2 373 33 37 ILE HG2 H 0.9270 0.02 1 374 33 37 ILE HD1 H 0.7830 0.02 1 375 33 37 ILE C C 173.7770 0.3 1 376 33 37 ILE CA C 61.3610 0.3 1 377 33 37 ILE CB C 39.1910 0.3 1 378 33 37 ILE CG1 C 30.0530 0.3 1 379 33 37 ILE CG2 C 16.2110 0.3 1 380 33 37 ILE CD1 C 15.2880 0.3 1 381 33 37 ILE N N 120.1520 0.2 1 382 34 38 ASP H H 8.8410 0.02 1 383 34 38 ASP HA H 4.6800 0.02 1 384 34 38 ASP HB2 H 2.7660 0.02 2 385 34 38 ASP HB3 H 2.9760 0.02 2 386 34 38 ASP C C 176.8420 0.3 1 387 34 38 ASP CA C 51.8780 0.3 1 388 34 38 ASP CB C 38.1220 0.3 1 389 34 38 ASP N N 126.3990 0.2 1 390 35 39 LYS H H 8.6570 0.02 1 391 35 39 LYS HA H 3.7730 0.02 1 392 35 39 LYS HB2 H 1.7850 0.02 2 393 35 39 LYS HB3 H 1.8520 0.02 2 394 35 39 LYS HG2 H 1.2280 0.02 2 395 35 39 LYS HG3 H 1.5850 0.02 2 396 35 39 LYS HD2 H 1.7380 0.02 2 397 35 39 LYS HD3 H 1.7380 0.02 2 398 35 39 LYS HE2 H 3.0580 0.02 2 399 35 39 LYS HE3 H 3.0580 0.02 2 400 35 39 LYS C C 178.3330 0.3 1 401 35 39 LYS CA C 58.4820 0.3 1 402 35 39 LYS CB C 31.5460 0.3 1 403 35 39 LYS CG C 25.9680 0.3 1 404 35 39 LYS CD C 29.4940 0.3 1 405 35 39 LYS CE C 42.0670 0.3 1 406 35 39 LYS N N 124.6060 0.2 1 407 36 40 ASN H H 8.1990 0.02 1 408 36 40 ASN HA H 4.5420 0.02 1 409 36 40 ASN HB2 H 2.7950 0.02 2 410 36 40 ASN HB3 H 2.8670 0.02 2 411 36 40 ASN HD21 H 7.8730 0.02 2 412 36 40 ASN HD22 H 7.0520 0.02 2 413 36 40 ASN C C 175.3720 0.3 1 414 36 40 ASN CA C 54.5390 0.3 1 415 36 40 ASN CB C 38.0720 0.3 1 416 36 40 ASN N N 115.9090 0.2 1 417 36 40 ASN ND2 N 115.7410 0.2 1 418 37 41 ALA H H 7.4440 0.02 1 419 37 41 ALA HA H 4.2650 0.02 1 420 37 41 ALA HB H 1.3160 0.02 1 421 37 41 ALA C C 176.7160 0.3 1 422 37 41 ALA CA C 51.6580 0.3 1 423 37 41 ALA CB C 21.0310 0.3 1 424 37 41 ALA N N 122.4800 0.2 1 425 38 42 LEU H H 6.4810 0.02 1 426 38 42 LEU HA H 3.8090 0.02 1 427 38 42 LEU HB2 H 1.3450 0.02 2 428 38 42 LEU HB3 H 1.6110 0.02 2 429 38 42 LEU HG H 1.4630 0.02 1 430 38 42 LEU HD1 H 0.4630 0.02 2 431 38 42 LEU HD2 H 0.3660 0.02 2 432 38 42 LEU C C 176.5890 0.3 1 433 38 42 LEU CA C 57.5930 0.3 1 434 38 42 LEU CB C 45.5370 0.3 1 435 38 42 LEU CG C 26.2700 0.3 1 436 38 42 LEU CD1 C 24.1110 0.3 2 437 38 42 LEU CD2 C 25.8050 0.3 2 438 38 42 LEU N N 116.3530 0.2 1 439 39 43 ASP H H 8.0700 0.02 1 440 39 43 ASP HA H 4.7280 0.02 1 441 39 43 ASP HB2 H 2.1440 0.02 2 442 39 43 ASP HB3 H 2.7750 0.02 2 443 39 43 ASP C C 177.0150 0.3 1 444 39 43 ASP CA C 52.1380 0.3 1 445 39 43 ASP CB C 37.8860 0.3 1 446 39 43 ASP N N 114.9860 0.2 1 447 40 44 ILE H H 8.0490 0.02 1 448 40 44 ILE HA H 3.5460 0.02 1 449 40 44 ILE HB H 1.8350 0.02 1 450 40 44 ILE HG12 H 1.3270 0.02 2 451 40 44 ILE HG13 H 1.7220 0.02 2 452 40 44 ILE HG2 H 0.8560 0.02 1 453 40 44 ILE HD1 H 0.8080 0.02 1 454 40 44 ILE C C 176.7760 0.3 1 455 40 44 ILE CA C 63.4780 0.3 1 456 40 44 ILE CB C 38.2170 0.3 1 457 40 44 ILE CG1 C 28.8280 0.3 1 458 40 44 ILE CG2 C 17.7000 0.3 1 459 40 44 ILE CD1 C 13.6060 0.3 1 460 40 44 ILE N N 126.0050 0.2 1 461 41 45 ASN H H 7.9560 0.02 1 462 41 45 ASN HA H 4.7360 0.02 1 463 41 45 ASN HB2 H 2.5750 0.02 2 464 41 45 ASN HB3 H 3.3650 0.02 2 465 41 45 ASN HD21 H 8.3790 0.02 2 466 41 45 ASN HD22 H 6.8800 0.02 2 467 41 45 ASN C C 176.6730 0.3 1 468 41 45 ASN CA C 51.5470 0.3 1 469 41 45 ASN CB C 37.8330 0.3 1 470 41 45 ASN N N 112.8930 0.2 1 471 41 45 ASN ND2 N 113.6330 0.2 1 472 42 46 GLY H H 7.4710 0.02 1 473 42 46 GLY HA2 H 3.8340 0.02 2 474 42 46 GLY HA3 H 4.0860 0.02 2 475 42 46 GLY C C 174.9820 0.3 1 476 42 46 GLY CA C 47.7080 0.3 1 477 42 46 GLY N N 109.2620 0.2 1 478 43 47 ASP H H 8.0240 0.02 1 479 43 47 ASP HA H 4.5520 0.02 1 480 43 47 ASP HB2 H 2.4070 0.02 2 481 43 47 ASP HB3 H 3.0980 0.02 2 482 43 47 ASP C C 177.7850 0.3 1 483 43 47 ASP CA C 53.3470 0.3 1 484 43 47 ASP CB C 40.5200 0.3 1 485 43 47 ASP N N 119.3390 0.2 1 486 44 48 GLY H H 10.2440 0.02 1 487 44 48 GLY HA2 H 3.5080 0.02 2 488 44 48 GLY HA3 H 4.2050 0.02 2 489 44 48 GLY C C 173.0020 0.3 1 490 44 48 GLY CA C 45.5790 0.3 1 491 44 48 GLY N N 113.9190 0.2 1 492 45 49 ALA H H 7.9470 0.02 1 493 45 49 ALA HA H 4.7430 0.02 1 494 45 49 ALA HB H 1.2480 0.02 1 495 45 49 ALA C C 176.4120 0.3 1 496 45 49 ALA CA C 49.9650 0.3 1 497 45 49 ALA CB C 22.4160 0.3 1 498 45 49 ALA N N 123.8260 0.2 1 499 46 50 VAL H H 9.0690 0.02 1 500 46 50 VAL HA H 4.8920 0.02 1 501 46 50 VAL HB H 2.1710 0.02 1 502 46 50 VAL HG1 H 0.9910 0.02 2 503 46 50 VAL HG2 H 0.7460 0.02 2 504 46 50 VAL C C 175.2020 0.3 1 505 46 50 VAL CA C 61.5450 0.3 1 506 46 50 VAL CB C 31.9010 0.3 1 507 46 50 VAL CG1 C 22.6710 0.3 2 508 46 50 VAL CG2 C 21.1580 0.3 2 509 46 50 VAL N N 126.2140 0.2 1 510 47 51 ASN H H 9.7880 0.02 1 511 47 51 ASN HA H 4.8640 0.02 1 512 47 51 ASN HB2 H 3.1560 0.02 2 513 47 51 ASN HB3 H 3.3680 0.02 2 514 47 51 ASN HD21 H 7.9930 0.02 2 515 47 51 ASN HD22 H 7.4800 0.02 2 516 47 51 ASN C C 176.2030 0.3 1 517 47 51 ASN CA C 52.2780 0.3 1 518 47 51 ASN CB C 38.7990 0.3 1 519 47 51 ASN N N 126.5110 0.2 1 520 47 51 ASN ND2 N 116.2980 0.2 1 521 48 52 GLY H H 8.8430 0.02 1 522 48 52 GLY HA2 H 3.8640 0.02 2 523 48 52 GLY HA3 H 4.1260 0.02 2 524 48 52 GLY C C 176.6800 0.3 1 525 48 52 GLY CA C 47.3430 0.3 1 526 48 52 GLY N N 105.7580 0.2 1 527 49 53 ARG H H 8.1150 0.02 1 528 49 53 ARG HA H 4.2580 0.02 1 529 49 53 ARG HB2 H 1.8950 0.02 2 530 49 53 ARG HB3 H 1.9880 0.02 2 531 49 53 ARG HG2 H 1.6660 0.02 2 532 49 53 ARG HG3 H 1.7650 0.02 2 533 49 53 ARG HD2 H 3.2090 0.02 2 534 49 53 ARG HD3 H 3.2620 0.02 2 535 49 53 ARG C C 179.6750 0.3 1 536 49 53 ARG CA C 59.1610 0.3 1 537 49 53 ARG CB C 29.0610 0.3 1 538 49 53 ARG CG C 27.2720 0.3 1 539 49 53 ARG CD C 43.1330 0.3 1 540 49 53 ARG N N 121.4020 0.2 1 541 50 54 ASP H H 7.8970 0.02 1 542 50 54 ASP HA H 4.3890 0.02 1 543 50 54 ASP HB2 H 2.9750 0.02 2 544 50 54 ASP HB3 H 3.2490 0.02 2 545 50 54 ASP C C 177.8350 0.3 1 546 50 54 ASP CA C 58.7190 0.3 1 547 50 54 ASP CB C 41.1720 0.3 1 548 50 54 ASP N N 118.5490 0.2 1 549 51 55 LEU H H 6.8770 0.02 1 550 51 55 LEU HA H 4.2280 0.02 1 551 51 55 LEU HB2 H 1.4500 0.02 2 552 51 55 LEU HB3 H 2.1920 0.02 2 553 51 55 LEU HG H 1.7000 0.02 1 554 51 55 LEU HD1 H 0.9820 0.02 2 555 51 55 LEU HD2 H 0.9480 0.02 2 556 51 55 LEU C C 177.3720 0.3 1 557 51 55 LEU CA C 58.3220 0.3 1 558 51 55 LEU CB C 40.7090 0.3 1 559 51 55 LEU CG C 27.0550 0.3 1 560 51 55 LEU CD1 C 26.5110 0.3 2 561 51 55 LEU CD2 C 23.7580 0.3 2 562 51 55 LEU N N 119.4840 0.2 1 563 52 56 MET H H 7.9580 0.02 1 564 52 56 MET HA H 4.1480 0.02 1 565 52 56 MET HB2 H 2.6490 0.02 2 566 52 56 MET HB3 H 2.7550 0.02 2 567 52 56 MET HG2 H 2.2310 0.02 2 568 52 56 MET HG3 H 2.2310 0.02 2 569 52 56 MET C C 179.5360 0.3 1 570 52 56 MET CA C 58.9650 0.3 1 571 52 56 MET CB C 32.0000 0.3 1 572 52 56 MET CG C 31.9820 0.3 1 573 52 56 MET N N 117.8990 0.2 1 574 53 57 GLU H H 7.9740 0.02 1 575 53 57 GLU HA H 4.1380 0.02 1 576 53 57 GLU HB2 H 2.0830 0.02 2 577 53 57 GLU HB3 H 2.0830 0.02 2 578 53 57 GLU HG2 H 2.2930 0.02 2 579 53 57 GLU HG3 H 2.4550 0.02 2 580 53 57 GLU C C 178.8150 0.3 1 581 53 57 GLU CA C 58.8370 0.3 1 582 53 57 GLU CB C 29.0400 0.3 1 583 53 57 GLU CG C 35.6200 0.3 1 584 53 57 GLU N N 119.2300 0.2 1 585 54 58 LEU H H 8.4060 0.02 1 586 54 58 LEU HA H 4.0180 0.02 1 587 54 58 LEU HB2 H 1.6700 0.02 2 588 54 58 LEU HB3 H 2.2250 0.02 2 589 54 58 LEU HG H 1.5600 0.02 1 590 54 58 LEU HD1 H 0.9980 0.02 2 591 54 58 LEU HD2 H 0.8510 0.02 2 592 54 58 LEU C C 177.8640 0.3 1 593 54 58 LEU CA C 58.3910 0.3 1 594 54 58 LEU CB C 42.3300 0.3 1 595 54 58 LEU CG C 27.0210 0.3 1 596 54 58 LEU CD1 C 24.5970 0.3 2 597 54 58 LEU CD2 C 27.0210 0.3 2 598 54 58 LEU N N 124.1380 0.2 1 599 55 59 ILE H H 8.4610 0.02 1 600 55 59 ILE HA H 3.5080 0.02 1 601 55 59 ILE HB H 1.8870 0.02 1 602 55 59 ILE HG12 H 1.0340 0.02 2 603 55 59 ILE HG13 H 1.8230 0.02 2 604 55 59 ILE HG2 H 0.9000 0.02 1 605 55 59 ILE HD1 H 0.8640 0.02 1 606 55 59 ILE C C 179.2210 0.3 1 607 55 59 ILE CA C 66.1290 0.3 1 608 55 59 ILE CB C 38.4790 0.3 1 609 55 59 ILE CG1 C 30.1320 0.3 1 610 55 59 ILE CG2 C 17.4000 0.3 1 611 55 59 ILE CD1 C 14.3940 0.3 1 612 55 59 ILE N N 119.6310 0.2 1 613 56 60 LYS H H 7.6610 0.02 1 614 56 60 LYS HA H 4.0410 0.02 1 615 56 60 LYS HB2 H 1.9120 0.02 2 616 56 60 LYS HB3 H 1.9450 0.02 2 617 56 60 LYS HG2 H 1.5640 0.02 2 618 56 60 LYS HG3 H 1.4090 0.02 2 619 56 60 LYS HD2 H 1.6390 0.02 2 620 56 60 LYS HD3 H 1.6870 0.02 2 621 56 60 LYS HE2 H 2.9510 0.02 2 622 56 60 LYS HE3 H 2.9400 0.02 2 623 56 60 LYS C C 178.6090 0.3 1 624 56 60 LYS CA C 59.5690 0.3 1 625 56 60 LYS CB C 32.4700 0.3 1 626 56 60 LYS CG C 24.9880 0.3 1 627 56 60 LYS CD C 29.6080 0.3 1 628 56 60 LYS CE C 42.1300 0.3 1 629 56 60 LYS N N 120.7800 0.2 1 630 57 61 LYS H H 8.0720 0.02 1 631 57 61 LYS HA H 4.0880 0.02 1 632 57 61 LYS HB2 H 1.9290 0.02 2 633 57 61 LYS HB3 H 2.0170 0.02 2 634 57 61 LYS HG2 H 1.6400 0.02 2 635 57 61 LYS HG3 H 1.4900 0.02 2 636 57 61 LYS HD2 H 1.6480 0.02 2 637 57 61 LYS HD3 H 1.7000 0.02 2 638 57 61 LYS HE2 H 2.9620 0.02 2 639 57 61 LYS HE3 H 2.9440 0.02 2 640 57 61 LYS C C 179.0670 0.3 1 641 57 61 LYS CA C 59.4010 0.3 1 642 57 61 LYS CB C 32.7190 0.3 1 643 57 61 LYS CG C 24.9990 0.3 1 644 57 61 LYS CD C 29.6320 0.3 1 645 57 61 LYS CE C 41.9560 0.3 1 646 57 61 LYS N N 120.4370 0.2 1 647 58 62 VAL H H 8.0740 0.02 1 648 58 62 VAL HA H 3.7490 0.02 1 649 58 62 VAL HB H 2.0670 0.02 1 650 58 62 VAL HG1 H 0.9220 0.02 2 651 58 62 VAL HG2 H 0.8900 0.02 2 652 58 62 VAL C C 178.1270 0.3 1 653 58 62 VAL CA C 65.5180 0.3 1 654 58 62 VAL CB C 32.0750 0.3 1 655 58 62 VAL CG1 C 21.5430 0.3 2 656 58 62 VAL CG2 C 23.3550 0.3 2 657 58 62 VAL N N 119.3900 0.2 1 658 59 63 SER H H 8.2290 0.02 1 659 59 63 SER HA H 4.3220 0.02 1 660 59 63 SER HB2 H 3.9830 0.02 2 661 59 63 SER HB3 H 3.9830 0.02 2 662 59 63 SER C C 174.9890 0.3 1 663 59 63 SER CA C 60.4630 0.3 1 664 59 63 SER CB C 63.4960 0.3 1 665 59 63 SER N N 116.4770 0.2 1 666 60 64 ASN H H 8.0120 0.02 1 667 60 64 ASN HA H 4.7470 0.02 1 668 60 64 ASN HB2 H 2.8530 0.02 2 669 60 64 ASN HB3 H 2.9770 0.02 2 670 60 64 ASN HD21 H 7.6270 0.02 2 671 60 64 ASN HD22 H 6.9330 0.02 2 672 60 64 ASN C C 175.2100 0.3 1 673 60 64 ASN CA C 53.8070 0.3 1 674 60 64 ASN CB C 38.8660 0.3 1 675 60 64 ASN N N 119.5190 0.2 1 676 60 64 ASN ND2 N 113.3750 0.2 1 677 61 65 ASN H H 8.1300 0.02 1 678 61 65 ASN HA H 4.8370 0.02 1 679 61 65 ASN HB2 H 2.9040 0.02 2 680 61 65 ASN HB3 H 2.9790 0.02 2 681 61 65 ASN HD21 H 7.7110 0.02 2 682 61 65 ASN HD22 H 7.0030 0.02 2 683 61 65 ASN C C 175.6060 0.3 1 684 61 65 ASN CA C 53.7090 0.3 1 685 61 65 ASN CB C 38.9030 0.3 1 686 61 65 ASN N N 119.5370 0.2 1 687 61 65 ASN ND2 N 112.9930 0.2 1 688 62 66 THR H H 8.1520 0.02 1 689 62 66 THR HA H 4.4620 0.02 1 690 62 66 THR HB H 4.3760 0.02 1 691 62 66 THR HG2 H 1.2500 0.02 1 692 62 66 THR C C 174.0730 0.3 1 693 62 66 THR CA C 61.8600 0.3 1 694 62 66 THR CB C 69.9930 0.3 1 695 62 66 THR CG2 C 21.1540 0.3 1 696 62 66 THR N N 114.5220 0.2 1 697 63 67 SER H H 8.0510 0.02 1 698 63 67 SER HA H 4.3210 0.02 1 699 63 67 SER HB2 H 3.8970 0.02 2 700 63 67 SER HB3 H 3.8970 0.02 2 701 63 67 SER CA C 60.2000 0.3 1 702 63 67 SER CB C 64.9370 0.3 1 703 63 67 SER N N 124.2700 0.2 1 stop_ save_