data_6600 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Bacillus subtilis s-BCCP apo-form ; _BMRB_accession_number 6600 _BMRB_flat_file_name bmr6600.str _Entry_type original _Submission_date 2005-04-14 _Accession_date 2005-04-28 _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 Cui Gaofeng . . 2 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 434 "13C chemical shifts" 325 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6599 'complex form with BTI' stop_ _Original_release_date 2007-01-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification and solution structures of a single-domain biotin/lipoyl attachment protein from bacillus subtilis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16699181 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui Gaofeng . . 2 Nan Beiyan . . 3 Hu Jicheng . . 4 Wang Yiping . . 5 Jin Changwen . . 6 Xia Bin . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 29 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20598 _Page_last 20607 _Year 2006 _Details . loop_ _Keyword 'Bacillus subtilis' 'single-domain Biotin Carboxyl Carrier Protein' 'solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_BCCP _Saveframe_category molecular_system _Mol_system_name 'Biotin Carboxyl Carrier Protein' _Abbreviation_common BCCP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Biotin Carboxyl Carrier Protein' $s-BCCP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_s-BCCP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Biotin Carboxyl Carrier Protein' _Abbreviation_common s-BCCP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; TVSIQMAGNLWKVHVKAGDQ IEKGQEVAILESMKMEIPIV ADRSGIVKEVKKKEGDFVNE GDVLLELSNSTQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 THR 2 3 VAL 3 4 SER 4 5 ILE 5 6 GLN 6 7 MET 7 8 ALA 8 9 GLY 9 10 ASN 10 11 LEU 11 12 TRP 12 13 LYS 13 14 VAL 14 15 HIS 15 16 VAL 16 17 LYS 17 18 ALA 18 19 GLY 19 20 ASP 20 21 GLN 21 22 ILE 22 23 GLU 23 24 LYS 24 25 GLY 25 26 GLN 26 27 GLU 27 28 VAL 28 29 ALA 29 30 ILE 30 31 LEU 31 32 GLU 32 33 SER 33 34 MET 34 35 LYS 35 36 MET 36 37 GLU 37 38 ILE 38 39 PRO 39 40 ILE 40 41 VAL 41 42 ALA 42 43 ASP 43 44 ARG 44 45 SER 45 46 GLY 46 47 ILE 47 48 VAL 48 49 LYS 49 50 GLU 50 51 VAL 51 52 LYS 52 53 LYS 53 54 LYS 54 55 GLU 55 56 GLY 56 57 ASP 57 58 PHE 58 59 VAL 59 60 ASN 60 61 GLU 61 62 GLY 62 63 ASP 63 64 VAL 64 65 LEU 65 66 LEU 66 67 GLU 67 68 LEU 68 69 SER 69 70 ASN 70 71 SER 71 72 THR 72 73 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 6599 s-BCCP 100.00 72 100.00 100.00 4.74e-42 PDB 1Z6H "Solution Structure Of Bacillus Subtilis Blap Biotinylated- Form" 100.00 72 100.00 100.00 4.74e-42 PDB 1Z7T "Solution Structure Of Bacillus Subtilis Blap Apo-Form" 100.00 72 100.00 100.00 4.74e-42 PDB 2B8F "Solution Structure Of Bacillus Subtilis Blap Apo Form (Energy Minimized Mean Structure)" 100.00 72 100.00 100.00 4.74e-42 PDB 2B8G "Solution Structure Of Bacillus Subtilis Blap Biotinylated- Form (Energy Minimized Mean Structure)" 100.00 72 100.00 100.00 4.74e-42 DBJ BAI85513 "acetyl-CoA carboxylase biotin carboxyl carrier protein subunit [Bacillus subtilis subsp. natto BEST195]" 93.06 67 98.51 98.51 9.92e-38 DBJ BAM52478 "acetyl-CoA carboxylase biotin carboxyl carrierprotein subunit [Bacillus subtilis BEST7613]" 100.00 73 100.00 100.00 5.25e-42 DBJ BAM58054 "acetyl-CoA carboxylase biotin carboxyl carrierprotein subunit [Bacillus subtilis BEST7003]" 100.00 73 100.00 100.00 5.25e-42 DBJ GAK81515 "acyl-CoA carboxylase; biotinylated subunit [Bacillus subtilis Miyagi-4]" 100.00 73 98.61 98.61 2.52e-41 EMBL CAX52627 "acyl-CoA carboxylase; biotinylated subunit [Bacillus subtilis subsp. subtilis str. 168]" 100.00 73 100.00 100.00 5.25e-42 EMBL CEI57017 "biotin/lipoyl attachment protein [Bacillus subtilis]" 100.00 73 100.00 100.00 5.25e-42 EMBL CEJ77441 "biotin/lipoyl attachment protein [Bacillus sp.]" 100.00 73 100.00 100.00 5.25e-42 GB ADV92730 "acetyl-CoA carboxylase biotin carboxyl carrier protein subunit [Bacillus subtilis BSn5]" 100.00 73 98.61 98.61 2.52e-41 GB AEP91001 "putative glutaconyl-CoA decarboxylase activity YngXX [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 73 97.22 98.61 1.60e-40 GB AFQ57759 "Acyl-CoA carboxylase [Bacillus subtilis QB928]" 100.00 73 100.00 100.00 5.25e-42 GB AGE63668 "propionyl-CoA carboxylase alpha chain [Bacillus subtilis XF-1]" 93.06 67 97.01 98.51 5.46e-37 GB AGG61199 "acyl-CoA carboxylase,biotinylated subunit YngHB [Bacillus subtilis subsp. subtilis 6051-HGW]" 100.00 73 100.00 100.00 5.25e-42 REF WP_003245519 "acetyl-CoA carboxylase [Bacillus subtilis]" 100.00 73 100.00 100.00 5.25e-42 REF WP_014476962 "acetyl-CoA carboxylase [Bacillus subtilis]" 100.00 73 97.22 98.61 1.60e-40 REF WP_014479957 "acetyl-CoA carboxylase [Bacillus subtilis]" 100.00 73 98.61 98.61 2.52e-41 REF WP_015383786 "propionyl-CoA carboxylase alpha chain [Bacillus subtilis]" 93.06 67 97.01 98.51 5.46e-37 REF WP_031600576 "acetyl-CoA carboxylase biotin carboxyl carrier protein subunit [Bacillus subtilis]" 93.06 67 98.51 98.51 9.92e-38 SP C0H419 "RecName: Full=Biotin/lipoyl attachment protein; Short=BLAP [Bacillus subtilis subsp. subtilis str. 168]" 100.00 73 100.00 100.00 5.25e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $s-BCCP 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $s-BCCP 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $s-BCCP 1.2 mM '[U-13C; U-15N]' 'phosphate buffer' 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task collection stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details 'Frank Delaglio' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5 loop_ _Task 'data analysis' stop_ _Details 'Bruce Johnson' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Task 'structure solution' stop_ _Details 'Peter Guntert' save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7.0 loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm . . . . . . 0.251449530 DSS H 1 'methyl protons' ppm . . . . . . 1.000000000 DSS N 15 'methyl protons' ppm . . . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Biotin Carboxyl Carrier Protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 THR HA H 5.167 0.02 1 2 . 1 THR HB H 4.172 0.02 1 3 . 1 THR HG2 H 1.222 0.02 1 4 . 1 THR C C 174.338 0.25 1 5 . 1 THR CA C 59.681 0.25 1 6 . 1 THR CB C 72.668 0.25 1 7 . 1 THR CG2 C 22.943 0.25 1 8 . 2 VAL H H 8.330 0.02 1 9 . 2 VAL HA H 4.511 0.02 1 10 . 2 VAL HB H 1.828 0.02 1 11 . 2 VAL HG1 H 1.012 0.02 2 12 . 2 VAL HG2 H 0.889 0.02 2 13 . 2 VAL C C 175.255 0.25 1 14 . 2 VAL CA C 62.028 0.25 1 15 . 2 VAL CB C 33.861 0.25 1 16 . 2 VAL CG1 C 21.680 0.25 1 17 . 2 VAL CG2 C 20.841 0.25 1 18 . 2 VAL N N 118.780 0.25 1 19 . 3 SER H H 8.982 0.02 1 20 . 3 SER HA H 5.097 0.02 1 21 . 3 SER HB2 H 3.557 0.02 2 22 . 3 SER HB3 H 3.582 0.02 2 23 . 3 SER C C 172.295 0.25 1 24 . 3 SER CA C 57.370 0.25 1 25 . 3 SER CB C 65.150 0.25 1 26 . 3 SER N N 124.745 0.25 1 27 . 4 ILE H H 8.722 0.02 1 28 . 4 ILE HA H 4.008 0.02 1 29 . 4 ILE HB H 1.872 0.02 1 30 . 4 ILE HG12 H 1.418 0.02 1 31 . 4 ILE HG13 H 1.084 0.02 1 32 . 4 ILE HG2 H 0.908 0.02 1 33 . 4 ILE HD1 H 0.735 0.02 1 34 . 4 ILE C C 176.976 0.25 1 35 . 4 ILE CA C 60.673 0.25 1 36 . 4 ILE CB C 38.216 0.25 1 37 . 4 ILE CG1 C 27.326 0.25 2 38 . 4 ILE CG2 C 19.196 0.25 1 39 . 4 ILE CD1 C 13.289 0.25 1 40 . 4 ILE N N 122.570 0.25 1 41 . 5 GLN H H 9.305 0.02 1 42 . 5 GLN HA H 4.416 0.02 1 43 . 5 GLN HB2 H 2.298 0.02 2 44 . 5 GLN HB3 H 1.973 0.02 2 45 . 5 GLN HG2 H 2.485 0.02 2 46 . 5 GLN HG3 H 2.295 0.02 2 47 . 5 GLN HE21 H 7.434 0.02 2 48 . 5 GLN HE22 H 6.774 0.02 2 49 . 5 GLN C C 174.231 0.25 1 50 . 5 GLN CA C 56.351 0.25 1 51 . 5 GLN CB C 29.109 0.25 1 52 . 5 GLN CG C 33.588 0.25 1 53 . 5 GLN CD C 180.29 0.25 1 54 . 5 GLN N N 125.992 0.25 1 55 . 5 GLN NE2 N 111.708 0.25 1 56 . 6 MET H H 7.278 0.02 1 57 . 6 MET HA H 4.493 0.02 1 58 . 6 MET HB2 H 1.830 0.02 2 59 . 6 MET HB3 H 1.963 0.02 2 60 . 6 MET HG2 H 2.363 0.02 1 61 . 6 MET HG3 H 2.363 0.02 1 62 . 6 MET HE H 2.046 0.02 1 63 . 6 MET C C 170.800 0.25 1 64 . 6 MET CA C 54.445 0.25 1 65 . 6 MET CB C 35.573 0.25 1 66 . 6 MET CG C 31.187 0.25 1 67 . 6 MET CE C 16.977 0.25 1 68 . 6 MET N N 118.251 0.25 1 69 . 7 ALA H H 8.059 0.02 1 70 . 7 ALA HA H 4.611 0.02 1 71 . 7 ALA HB H 1.526 0.02 1 72 . 7 ALA C C 178.391 0.25 1 73 . 7 ALA CA C 50.832 0.25 1 74 . 7 ALA CB C 20.185 0.25 1 75 . 7 ALA N N 119.808 0.25 1 76 . 8 GLY H H 7.928 0.02 1 77 . 8 GLY HA2 H 4.092 0.02 2 78 . 8 GLY HA3 H 3.960 0.02 2 79 . 8 GLY C C 170.401 0.25 1 80 . 8 GLY CA C 45.398 0.25 1 81 . 8 GLY N N 106.063 0.25 1 82 . 9 ASN H H 8.685 0.02 1 83 . 9 ASN HA H 5.282 0.02 1 84 . 9 ASN HB2 H 2.785 0.02 2 85 . 9 ASN HB3 H 2.571 0.02 2 86 . 9 ASN HD21 H 6.776 0.02 2 87 . 9 ASN HD22 H 7.438 0.02 2 88 . 9 ASN C C 175.446 0.25 1 89 . 9 ASN CA C 52.276 0.25 1 90 . 9 ASN CB C 41.280 0.25 1 91 . 9 ASN CG C 176.25 0.25 1 92 . 9 ASN N N 116.838 0.25 1 93 . 9 ASN ND2 N 113.175 0.25 1 94 . 10 LEU H H 9.073 0.02 1 95 . 10 LEU HA H 4.349 0.02 1 96 . 10 LEU HB2 H 1.435 0.02 2 97 . 10 LEU HB3 H 1.737 0.02 2 98 . 10 LEU HG H 1.305 0.02 1 99 . 10 LEU HD1 H 0.650 0.02 2 100 . 10 LEU HD2 H 0.557 0.02 2 101 . 10 LEU C C 174.391 0.25 1 102 . 10 LEU CA C 55.417 0.25 1 103 . 10 LEU CB C 41.287 0.25 1 104 . 10 LEU CG C 27.07 0.25 1 105 . 10 LEU CD1 C 25.306 0.25 1 106 . 10 LEU CD2 C 26.059 0.25 1 107 . 10 LEU N N 125.847 0.25 1 108 . 11 TRP H H 8.730 0.02 1 109 . 11 TRP HA H 4.820 0.02 1 110 . 11 TRP HB2 H 3.159 0.02 2 111 . 11 TRP HB3 H 3.021 0.02 2 112 . 11 TRP HD1 H 7.047 0.02 1 113 . 11 TRP HE1 H 10.073 0.02 1 114 . 11 TRP HE3 H 7.428 0.02 1 115 . 11 TRP HZ2 H 7.460 0.02 1 116 . 11 TRP HZ3 H 7.103 0.02 1 117 . 11 TRP HH2 H 7.204 0.02 1 118 . 11 TRP C C 175.359 0.25 1 119 . 11 TRP CA C 58.550 0.25 1 120 . 11 TRP CB C 31.467 0.25 1 121 . 11 TRP CD1 C 126.479 0.25 1 122 . 11 TRP CE3 C 120.488 0.25 1 123 . 11 TRP CZ2 C 114.661 0.25 1 124 . 11 TRP CZ3 C 122.079 0.25 1 125 . 11 TRP CH2 C 124.818 0.25 1 126 . 11 TRP N N 132.644 0.25 1 127 . 11 TRP NE1 N 129.366 0.25 1 128 . 12 LYS H H 7.626 0.02 1 129 . 12 LYS HA H 4.533 0.02 1 130 . 12 LYS HB2 H 1.172 0.02 2 131 . 12 LYS HB3 H 1.365 0.02 2 132 . 12 LYS HG2 H 0.860 0.02 2 133 . 12 LYS HG3 H 0.766 0.02 2 134 . 12 LYS HD2 H 1.477 0.02 2 135 . 12 LYS HD3 H 1.370 0.02 2 136 . 12 LYS HE2 H 2.450 0.02 2 137 . 12 LYS HE3 H 2.298 0.02 2 138 . 12 LYS C C 175.185 0.25 1 139 . 12 LYS CA C 53.951 0.25 1 140 . 12 LYS CB C 37.544 0.25 1 141 . 12 LYS CG C 24.296 0.25 1 142 . 12 LYS CD C 28.342 0.25 1 143 . 12 LYS CE C 41.839 0.25 1 144 . 12 LYS N N 113.388 0.25 1 145 . 13 VAL H H 9.604 0.02 1 146 . 13 VAL HA H 4.042 0.02 1 147 . 13 VAL HB H 2.122 0.02 1 148 . 13 VAL HG1 H 1.159 0.02 2 149 . 13 VAL HG2 H 0.812 0.02 2 150 . 13 VAL C C 175.672 0.25 1 151 . 13 VAL CA C 62.673 0.25 1 152 . 13 VAL CB C 33.577 0.25 1 153 . 13 VAL CG1 C 21.901 0.25 1 154 . 13 VAL CG2 C 22.009 0.25 1 155 . 13 VAL N N 123.793 0.25 1 156 . 14 HIS H H 8.288 0.02 1 157 . 14 HIS HA H 4.879 0.02 1 158 . 14 HIS HB2 H 2.830 0.02 2 159 . 14 HIS HB3 H 3.357 0.02 2 160 . 14 HIS HD2 H 6.645 0.02 2 161 . 14 HIS HE1 H 7.466 0.02 2 162 . 14 HIS C C 176.346 0.25 1 163 . 14 HIS CA C 56.438 0.25 1 164 . 14 HIS CB C 32.870 0.25 1 165 . 14 HIS CD2 C 118.268 0.25 2 166 . 14 HIS CE1 C 138.363 0.25 2 167 . 14 HIS N N 123.201 0.25 1 168 . 15 VAL H H 6.797 0.02 1 169 . 15 VAL HA H 4.901 0.02 1 170 . 15 VAL HB H 2.306 0.02 1 171 . 15 VAL HG1 H 1.006 0.02 2 172 . 15 VAL HG2 H 0.789 0.02 2 173 . 15 VAL C C 172.990 0.25 1 174 . 15 VAL CA C 58.649 0.25 1 175 . 15 VAL CB C 35.060 0.25 1 176 . 15 VAL CG1 C 21.700 0.25 1 177 . 15 VAL CG2 C 18.541 0.25 1 178 . 15 VAL N N 106.370 0.25 1 179 . 16 LYS H H 8.751 0.02 1 180 . 16 LYS HA H 4.586 0.02 1 181 . 16 LYS HB2 H 1.778 0.02 1 182 . 16 LYS HB3 H 1.778 0.02 1 183 . 16 LYS HG2 H 1.260 0.02 2 184 . 16 LYS HG3 H 1.518 0.02 2 185 . 16 LYS HD2 H 1.668 0.02 1 186 . 16 LYS HD3 H 1.668 0.02 1 187 . 16 LYS HE2 H 3.048 0.02 1 188 . 16 LYS HE3 H 3.048 0.02 1 189 . 16 LYS C C 175.064 0.25 1 190 . 16 LYS CA C 53.917 0.25 1 191 . 16 LYS CB C 36.487 0.25 1 192 . 16 LYS CG C 23.082 0.25 1 193 . 16 LYS CD C 29.178 0.25 1 194 . 16 LYS CE C 42.307 0.25 1 195 . 16 LYS N N 118.384 0.25 1 196 . 17 ALA H H 8.557 0.02 1 197 . 17 ALA HA H 3.656 0.02 1 198 . 17 ALA HB H 1.309 0.02 1 199 . 17 ALA C C 178.079 0.25 1 200 . 17 ALA CA C 53.840 0.25 1 201 . 17 ALA CB C 17.743 0.25 1 202 . 17 ALA N N 121.136 0.25 1 203 . 18 GLY H H 9.283 0.02 1 204 . 18 GLY HA2 H 4.462 0.02 2 205 . 18 GLY HA3 H 3.469 0.02 2 206 . 18 GLY C C 174.376 0.25 1 207 . 18 GLY CA C 44.782 0.25 1 208 . 18 GLY N N 112.204 0.25 1 209 . 19 ASP H H 7.989 0.02 1 210 . 19 ASP HA H 4.600 0.02 1 211 . 19 ASP HB2 H 2.565 0.02 2 212 . 19 ASP HB3 H 2.819 0.02 2 213 . 19 ASP C C 175.232 0.25 1 214 . 19 ASP CA C 54.920 0.25 1 215 . 19 ASP CB C 41.184 0.25 1 216 . 19 ASP N N 121.139 0.25 1 217 . 20 GLN H H 8.699 0.02 1 218 . 20 GLN HA H 4.749 0.02 1 219 . 20 GLN HB2 H 2.026 0.02 1 220 . 20 GLN HB3 H 2.026 0.02 1 221 . 20 GLN HG2 H 2.237 0.02 2 222 . 20 GLN HG3 H 2.297 0.02 2 223 . 20 GLN HE21 H 6.764 0.02 2 224 . 20 GLN HE22 H 7.445 0.02 2 225 . 20 GLN C C 175.579 0.25 1 226 . 20 GLN CA C 55.340 0.25 1 227 . 20 GLN CB C 29.328 0.25 1 228 . 20 GLN CG C 33.931 0.25 1 229 . 20 GLN CD C 179.87 0.25 1 230 . 20 GLN N N 121.543 0.25 1 231 . 20 GLN NE2 N 111.733 0.25 1 232 . 21 ILE H H 9.124 0.02 1 233 . 21 ILE HA H 5.101 0.02 1 234 . 21 ILE HB H 1.640 0.02 1 235 . 21 ILE HG12 H 1.251 0.02 1 236 . 21 ILE HG13 H 1.083 0.02 1 237 . 21 ILE HG2 H 0.741 0.02 1 238 . 21 ILE HD1 H 0.660 0.02 1 239 . 21 ILE C C 175.598 0.25 1 240 . 21 ILE CA C 58.274 0.25 1 241 . 21 ILE CB C 41.058 0.25 1 242 . 21 ILE CG1 C 25.553 0.25 2 243 . 21 ILE CG2 C 18.347 0.25 1 244 . 21 ILE CD1 C 14.549 0.25 1 245 . 21 ILE N N 121.598 0.25 1 246 . 22 GLU H H 8.173 0.02 1 247 . 22 GLU HA H 4.801 0.02 1 248 . 22 GLU HB2 H 1.995 0.02 2 249 . 22 GLU HB3 H 1.734 0.02 2 250 . 22 GLU HG2 H 2.286 0.02 2 251 . 22 GLU HG3 H 2.255 0.02 2 252 . 22 GLU C C 175.118 0.25 1 253 . 22 GLU CA C 53.228 0.25 1 254 . 22 GLU CB C 32.801 0.25 1 255 . 22 GLU CG C 35.644 0.25 1 256 . 22 GLU N N 122.346 0.25 1 257 . 23 LYS H H 8.229 0.02 1 258 . 23 LYS HA H 3.380 0.02 1 259 . 23 LYS HB2 H 1.500 0.02 2 260 . 23 LYS HB3 H 1.665 0.02 2 261 . 23 LYS HG2 H 1.193 0.02 1 262 . 23 LYS HG3 H 1.193 0.02 1 263 . 23 LYS HD2 H 1.655 0.02 1 264 . 23 LYS HD3 H 1.655 0.02 1 265 . 23 LYS HE2 H 2.983 0.02 1 266 . 23 LYS HE3 H 2.983 0.02 1 267 . 23 LYS C C 177.442 0.25 1 268 . 23 LYS CA C 58.617 0.25 1 269 . 23 LYS CB C 32.466 0.25 1 270 . 23 LYS CG C 24.855 0.25 1 271 . 23 LYS CD C 29.720 0.25 1 272 . 23 LYS CE C 41.991 0.25 1 273 . 23 LYS N N 121.994 0.25 1 274 . 24 GLY H H 8.923 0.02 1 275 . 24 GLY HA2 H 4.351 0.02 2 276 . 24 GLY HA3 H 3.485 0.02 2 277 . 24 GLY C C 173.499 0.25 1 278 . 24 GLY CA C 44.908 0.25 1 279 . 24 GLY N N 115.291 0.25 1 280 . 25 GLN H H 8.216 0.02 1 281 . 25 GLN HA H 4.235 0.02 1 282 . 25 GLN HB2 H 2.282 0.02 2 283 . 25 GLN HB3 H 2.043 0.02 2 284 . 25 GLN HG2 H 2.218 0.02 2 285 . 25 GLN HG3 H 2.417 0.02 2 286 . 25 GLN HE21 H 7.504 0.02 2 287 . 25 GLN HE22 H 7.277 0.02 2 288 . 25 GLN C C 175.994 0.25 1 289 . 25 GLN CA C 55.875 0.25 1 290 . 25 GLN CB C 30.691 0.25 1 291 . 25 GLN CG C 32.743 0.25 1 292 . 25 GLN CD C 179.55 0.25 1 293 . 25 GLN N N 122.557 0.25 1 294 . 25 GLN NE2 N 109.974 0.25 1 295 . 26 GLU H H 9.081 0.02 1 296 . 26 GLU HA H 4.583 0.02 1 297 . 26 GLU HB2 H 2.208 0.02 2 298 . 26 GLU HB3 H 2.117 0.02 2 299 . 26 GLU HG2 H 2.087 0.02 2 300 . 26 GLU HG3 H 2.384 0.02 2 301 . 26 GLU C C 176.574 0.25 1 302 . 26 GLU CA C 57.226 0.25 1 303 . 26 GLU CB C 30.689 0.25 1 304 . 26 GLU CG C 38.442 0.25 1 305 . 26 GLU N N 127.421 0.25 1 306 . 27 VAL H H 9.199 0.02 1 307 . 27 VAL HA H 4.709 0.02 1 308 . 27 VAL HB H 2.305 0.02 1 309 . 27 VAL HG1 H 0.699 0.02 2 310 . 27 VAL HG2 H 0.949 0.02 2 311 . 27 VAL C C 174.590 0.25 1 312 . 27 VAL CA C 61.293 0.25 1 313 . 27 VAL CB C 32.930 0.25 1 314 . 27 VAL CG1 C 18.401 0.25 1 315 . 27 VAL CG2 C 22.610 0.25 1 316 . 27 VAL N N 119.282 0.25 1 317 . 28 ALA H H 8.140 0.02 1 318 . 28 ALA HA H 3.990 0.02 1 319 . 28 ALA HB H 1.463 0.02 1 320 . 28 ALA C C 173.658 0.25 1 321 . 28 ALA CA C 51.029 0.25 1 322 . 28 ALA CB C 22.745 0.25 1 323 . 28 ALA N N 121.833 0.25 1 324 . 29 ILE H H 8.935 0.02 1 325 . 29 ILE HA H 4.521 0.02 1 326 . 29 ILE HB H 1.672 0.02 1 327 . 29 ILE HG12 H 1.455 0.02 1 328 . 29 ILE HG13 H 1.085 0.02 1 329 . 29 ILE HG2 H 0.986 0.02 1 330 . 29 ILE HD1 H 1.006 0.02 1 331 . 29 ILE C C 174.079 0.25 1 332 . 29 ILE CA C 61.025 0.25 1 333 . 29 ILE CB C 42.144 0.25 1 334 . 29 ILE CG1 C 27.449 0.25 2 335 . 29 ILE CG2 C 18.317 0.25 1 336 . 29 ILE CD1 C 13.236 0.25 1 337 . 29 ILE N N 117.721 0.25 1 338 . 30 LEU H H 9.268 0.02 1 339 . 30 LEU HA H 4.872 0.02 1 340 . 30 LEU HB2 H 1.334 0.02 2 341 . 30 LEU HB3 H 1.750 0.02 2 342 . 30 LEU HG H 0.573 0.02 1 343 . 30 LEU HD1 H 0.534 0.02 1 344 . 30 LEU HD2 H 0.534 0.02 1 345 . 30 LEU C C 174.434 0.25 1 346 . 30 LEU CA C 53.050 0.25 1 347 . 30 LEU CB C 46.382 0.25 1 348 . 30 LEU CG C 26.295 0.25 1 349 . 30 LEU CD1 C 25.080 0.25 1 350 . 30 LEU CD2 C 25.080 0.25 1 351 . 30 LEU N N 130.579 0.25 1 352 . 31 GLU H H 9.493 0.02 1 353 . 31 GLU HA H 5.236 0.02 1 354 . 31 GLU HB2 H 1.452 0.02 2 355 . 31 GLU HB3 H 2.124 0.02 2 356 . 31 GLU HG2 H 1.622 0.02 2 357 . 31 GLU HG3 H 1.939 0.02 2 358 . 31 GLU C C 175.047 0.25 1 359 . 31 GLU CA C 55.036 0.25 1 360 . 31 GLU CB C 31.558 0.25 1 361 . 31 GLU CG C 36.103 0.25 1 362 . 31 GLU N N 125.928 0.25 1 363 . 32 SER H H 8.561 0.02 1 364 . 32 SER HA H 4.691 0.02 1 365 . 32 SER HB2 H 3.685 0.02 2 366 . 32 SER HB3 H 3.541 0.02 2 367 . 32 SER C C 174.866 0.25 1 368 . 32 SER CA C 56.962 0.25 1 369 . 32 SER CB C 64.137 0.25 1 370 . 32 SER N N 120.964 0.25 1 371 . 33 MET H H 9.389 0.02 1 372 . 33 MET HA H 4.078 0.02 1 373 . 33 MET HB2 H 2.193 0.02 1 374 . 33 MET HB3 H 2.193 0.02 1 375 . 33 MET HG2 H 2.676 0.02 2 376 . 33 MET HG3 H 2.545 0.02 2 377 . 33 MET HE H 2.101 0.02 1 378 . 33 MET C C 175.517 0.25 1 379 . 33 MET CA C 56.352 0.25 1 380 . 33 MET CB C 29.626 0.25 1 381 . 33 MET CG C 32.406 0.25 1 382 . 33 MET CE C 16.810 0.25 1 383 . 33 MET N N 126.620 0.25 1 384 . 34 LYS H H 9.088 0.02 1 385 . 34 LYS HA H 3.666 0.02 1 386 . 34 LYS HB2 H 2.195 0.02 2 387 . 34 LYS HB3 H 1.945 0.02 2 388 . 34 LYS HG2 H 1.349 0.02 2 389 . 34 LYS HG3 H 1.283 0.02 2 390 . 34 LYS HD2 H 1.625 0.02 2 391 . 34 LYS HD3 H 1.582 0.02 2 392 . 34 LYS HE2 H 2.924 0.02 1 393 . 34 LYS HE3 H 2.924 0.02 1 394 . 34 LYS C C 175.623 0.25 1 395 . 34 LYS CA C 57.772 0.25 1 396 . 34 LYS CB C 29.626 0.25 1 397 . 34 LYS CG C 25.220 0.25 1 398 . 34 LYS CD C 28.698 0.25 1 399 . 34 LYS CE C 41.955 0.25 1 400 . 34 LYS N N 109.503 0.25 1 401 . 35 MET H H 8.016 0.02 1 402 . 35 MET HA H 4.601 0.02 1 403 . 35 MET HB2 H 2.178 0.02 2 404 . 35 MET HB3 H 2.010 0.02 2 405 . 35 MET HG2 H 2.590 0.02 2 406 . 35 MET HG3 H 2.537 0.02 2 407 . 35 MET HE H 2.123 0.02 1 408 . 35 MET C C 174.772 0.25 1 409 . 35 MET CA C 54.563 0.25 1 410 . 35 MET CB C 34.471 0.25 1 411 . 35 MET CG C 31.757 0.25 1 412 . 35 MET CE C 16.891 0.25 1 413 . 35 MET N N 120.295 0.25 1 414 . 36 GLU H H 8.308 0.02 1 415 . 36 GLU HA H 4.654 0.02 1 416 . 36 GLU HB2 H 1.842 0.02 2 417 . 36 GLU HB3 H 1.773 0.02 2 418 . 36 GLU HG2 H 1.973 0.02 2 419 . 36 GLU HG3 H 1.654 0.02 2 420 . 36 GLU C C 176.423 0.25 1 421 . 36 GLU CA C 55.860 0.25 1 422 . 36 GLU CB C 30.435 0.25 1 423 . 36 GLU CG C 36.256 0.25 1 424 . 36 GLU N N 121.505 0.25 1 425 . 37 ILE H H 9.547 0.02 1 426 . 37 ILE HA H 4.646 0.02 1 427 . 37 ILE HB H 1.864 0.02 1 428 . 37 ILE HG12 H 1.416 0.02 1 429 . 37 ILE HG13 H 1.148 0.02 1 430 . 37 ILE HG2 H 0.910 0.02 1 431 . 37 ILE HD1 H 0.816 0.02 1 432 . 37 ILE CA C 57.890 0.25 1 433 . 37 ILE CB C 40.983 0.25 1 434 . 37 ILE CG1 C 27.226 0.25 2 435 . 37 ILE CG2 C 17.220 0.25 1 436 . 37 ILE CD1 C 13.712 0.25 1 437 . 37 ILE N N 126.929 0.25 1 438 . 38 PRO HA H 4.670 0.02 1 439 . 38 PRO HB2 H 2.469 0.02 2 440 . 38 PRO HB3 H 1.805 0.02 2 441 . 38 PRO HG2 H 2.156 0.02 2 442 . 38 PRO HG3 H 2.026 0.02 2 443 . 38 PRO HD2 H 3.939 0.02 2 444 . 38 PRO HD3 H 3.800 0.02 2 445 . 38 PRO C C 176.166 0.25 1 446 . 38 PRO CA C 63.210 0.25 1 447 . 38 PRO CB C 32.745 0.25 1 448 . 38 PRO CG C 27.647 0.25 1 449 . 38 PRO CD C 51.298 0.25 1 450 . 39 ILE H H 8.723 0.02 1 451 . 39 ILE HA H 4.325 0.02 1 452 . 39 ILE HB H 1.613 0.02 1 453 . 39 ILE HG12 H 1.364 0.02 1 454 . 39 ILE HG13 H 1.268 0.02 1 455 . 39 ILE HG2 H 0.700 0.02 1 456 . 39 ILE HD1 H 0.734 0.02 1 457 . 39 ILE C C 175.261 0.25 1 458 . 39 ILE CA C 60.007 0.25 1 459 . 39 ILE CB C 37.494 0.25 1 460 . 39 ILE CG1 C 26.172 0.25 2 461 . 39 ILE CG2 C 16.994 0.25 1 462 . 39 ILE CD1 C 13.289 0.25 1 463 . 39 ILE N N 124.057 0.25 1 464 . 40 VAL H H 8.733 0.02 1 465 . 40 VAL HA H 4.871 0.02 1 466 . 40 VAL HB H 1.831 0.02 1 467 . 40 VAL HG1 H 0.789 0.02 2 468 . 40 VAL HG2 H 0.843 0.02 2 469 . 40 VAL C C 175.936 0.25 1 470 . 40 VAL CA C 59.920 0.25 1 471 . 40 VAL CB C 34.100 0.25 1 472 . 40 VAL CG1 C 21.026 0.25 1 473 . 40 VAL CG2 C 20.392 0.25 1 474 . 40 VAL N N 126.245 0.25 1 475 . 41 ALA H H 8.735 0.02 1 476 . 41 ALA HA H 4.247 0.02 1 477 . 41 ALA HB H 1.572 0.02 1 478 . 41 ALA C C 177.865 0.25 1 479 . 41 ALA CA C 52.817 0.25 1 480 . 41 ALA CB C 20.030 0.25 1 481 . 41 ALA N N 127.056 0.25 1 482 . 42 ASP H H 8.948 0.02 1 483 . 42 ASP HA H 4.738 0.02 1 484 . 42 ASP HB2 H 2.932 0.02 2 485 . 42 ASP HB3 H 2.736 0.02 2 486 . 42 ASP C C 174.678 0.25 1 487 . 42 ASP CA C 53.617 0.25 1 488 . 42 ASP CB C 40.772 0.25 1 489 . 42 ASP N N 122.506 0.25 1 490 . 43 ARG H H 7.474 0.02 1 491 . 43 ARG HA H 4.501 0.02 1 492 . 43 ARG HB2 H 1.900 0.02 2 493 . 43 ARG HB3 H 1.699 0.02 2 494 . 43 ARG HG2 H 1.537 0.02 2 495 . 43 ARG HG3 H 1.366 0.02 2 496 . 43 ARG HD2 H 3.141 0.02 1 497 . 43 ARG HD3 H 3.141 0.02 1 498 . 43 ARG C C 172.289 0.25 1 499 . 43 ARG CA C 54.445 0.25 1 500 . 43 ARG CB C 32.693 0.25 1 501 . 43 ARG CG C 25.040 0.25 1 502 . 43 ARG CD C 43.541 0.25 1 503 . 43 ARG N N 115.468 0.25 1 504 . 44 SER H H 8.211 0.02 1 505 . 44 SER HA H 4.757 0.02 1 506 . 44 SER HB2 H 3.943 0.02 2 507 . 44 SER HB3 H 4.037 0.02 2 508 . 44 SER C C 174.188 0.25 1 509 . 44 SER CA C 56.181 0.25 1 510 . 44 SER CB C 65.087 0.25 1 511 . 44 SER N N 112.250 0.25 1 512 . 45 GLY H H 8.212 0.02 1 513 . 45 GLY HA2 H 4.203 0.02 2 514 . 45 GLY HA3 H 4.038 0.02 2 515 . 45 GLY C C 170.309 0.25 1 516 . 45 GLY CA C 45.561 0.25 1 517 . 45 GLY N N 107.822 0.25 1 518 . 46 ILE H H 8.513 0.02 1 519 . 46 ILE HA H 4.771 0.02 1 520 . 46 ILE HB H 1.654 0.02 1 521 . 46 ILE HG12 H 1.505 0.02 1 522 . 46 ILE HG13 H 1.085 0.02 1 523 . 46 ILE HG2 H 0.701 0.02 1 524 . 46 ILE HD1 H 0.812 0.02 1 525 . 46 ILE C C 176.671 0.25 1 526 . 46 ILE CA C 58.895 0.25 1 527 . 46 ILE CB C 39.438 0.25 1 528 . 46 ILE CG1 C 28.04 0.25 2 529 . 46 ILE CG2 C 16.994 0.25 1 530 . 46 ILE CD1 C 12.441 0.25 1 531 . 46 ILE N N 120.125 0.25 1 532 . 47 VAL H H 9.106 0.02 1 533 . 47 VAL HA H 3.696 0.02 1 534 . 47 VAL HB H 2.346 0.02 1 535 . 47 VAL HG1 H 0.665 0.02 2 536 . 47 VAL HG2 H 0.927 0.02 2 537 . 47 VAL C C 175.625 0.25 1 538 . 47 VAL CA C 64.505 0.25 1 539 . 47 VAL CB C 31.902 0.25 1 540 . 47 VAL CG1 C 22.910 0.25 1 541 . 47 VAL CG2 C 22.910 0.25 1 542 . 47 VAL N N 126.048 0.25 1 543 . 48 LYS H H 9.559 0.02 1 544 . 48 LYS HA H 4.375 0.02 1 545 . 48 LYS HB2 H 1.642 0.02 2 546 . 48 LYS HB3 H 1.515 0.02 2 547 . 48 LYS HG2 H 1.435 0.02 2 548 . 48 LYS HG3 H 1.321 0.02 2 549 . 48 LYS HD2 H 1.662 0.02 2 550 . 48 LYS HD3 H 1.565 0.02 2 551 . 48 LYS HE2 H 2.968 0.02 1 552 . 48 LYS HE3 H 2.968 0.02 1 553 . 48 LYS C C 175.597 0.25 1 554 . 48 LYS CA C 57.413 0.25 1 555 . 48 LYS CB C 34.096 0.25 1 556 . 48 LYS CG C 24.680 0.25 1 557 . 48 LYS CD C 29.459 0.25 1 558 . 48 LYS CE C 41.620 0.25 1 559 . 48 LYS N N 133.407 0.25 1 560 . 49 GLU H H 7.373 0.02 1 561 . 49 GLU HA H 4.431 0.02 1 562 . 49 GLU HB2 H 1.931 0.02 2 563 . 49 GLU HB3 H 1.772 0.02 2 564 . 49 GLU HG2 H 2.189 0.02 2 565 . 49 GLU HG3 H 1.930 0.02 2 566 . 49 GLU C C 173.797 0.25 1 567 . 49 GLU CA C 55.804 0.25 1 568 . 49 GLU CB C 34.291 0.25 1 569 . 49 GLU CG C 36.220 0.25 1 570 . 49 GLU N N 114.606 0.25 1 571 . 50 VAL H H 9.183 0.02 1 572 . 50 VAL HA H 4.320 0.02 1 573 . 50 VAL HB H 2.123 0.02 1 574 . 50 VAL HG1 H 1.155 0.02 2 575 . 50 VAL HG2 H 0.812 0.02 2 576 . 50 VAL C C 176.616 0.25 1 577 . 50 VAL CA C 62.226 0.25 1 578 . 50 VAL CB C 31.458 0.25 1 579 . 50 VAL CG1 C 21.397 0.25 1 580 . 50 VAL CG2 C 21.639 0.25 1 581 . 50 VAL N N 126.911 0.25 1 582 . 51 LYS H H 8.770 0.02 1 583 . 51 LYS HA H 4.308 0.02 1 584 . 51 LYS HB2 H 1.758 0.02 2 585 . 51 LYS HB3 H 2.042 0.02 2 586 . 51 LYS HG2 H 1.198 0.02 2 587 . 51 LYS HG3 H 1.270 0.02 2 588 . 51 LYS HD2 H 1.524 0.02 1 589 . 51 LYS HD3 H 1.524 0.02 1 590 . 51 LYS HE2 H 2.812 0.02 2 591 . 51 LYS HE3 H 2.967 0.02 2 592 . 51 LYS C C 175.825 0.25 1 593 . 51 LYS CA C 56.730 0.25 1 594 . 51 LYS CB C 32.498 0.25 1 595 . 51 LYS CG C 24.855 0.25 1 596 . 51 LYS CD C 27.594 0.25 1 597 . 51 LYS CE C 41.587 0.25 1 598 . 51 LYS N N 124.539 0.25 1 599 . 52 LYS H H 7.025 0.02 1 600 . 52 LYS HA H 4.726 0.02 1 601 . 52 LYS HB2 H 1.364 0.02 2 602 . 52 LYS HB3 H 1.823 0.02 2 603 . 52 LYS HG2 H 1.491 0.02 2 604 . 52 LYS HG3 H 1.150 0.02 2 605 . 52 LYS HD2 H 1.626 0.02 2 606 . 52 LYS HD3 H 2.014 0.02 2 607 . 52 LYS HE2 H 2.958 0.02 1 608 . 52 LYS HE3 H 2.958 0.02 1 609 . 52 LYS C C 173.590 0.25 1 610 . 52 LYS CA C 52.571 0.25 1 611 . 52 LYS CB C 37.509 0.25 1 612 . 52 LYS CG C 24.249 0.25 1 613 . 52 LYS CD C 28.698 0.25 1 614 . 52 LYS CE C 42.442 0.25 1 615 . 52 LYS N N 115.109 0.25 1 616 . 53 LYS H H 8.855 0.02 1 617 . 53 LYS HA H 4.572 0.02 1 618 . 53 LYS HB2 H 1.724 0.02 1 619 . 53 LYS HB3 H 1.724 0.02 1 620 . 53 LYS HG2 H 1.479 0.02 2 621 . 53 LYS HG3 H 1.306 0.02 2 622 . 53 LYS HD2 H 1.667 0.02 1 623 . 53 LYS HD3 H 1.667 0.02 1 624 . 53 LYS HE2 H 3.049 0.02 1 625 . 53 LYS HE3 H 3.049 0.02 1 626 . 53 LYS C C 175.511 0.25 1 627 . 53 LYS CA C 53.917 0.25 1 628 . 53 LYS CB C 35.806 0.25 1 629 . 53 LYS CG C 24.049 0.25 1 630 . 53 LYS CD C 29.178 0.25 1 631 . 53 LYS CE C 42.307 0.25 1 632 . 53 LYS N N 118.519 0.25 1 633 . 54 GLU H H 8.497 0.02 1 634 . 54 GLU HA H 3.602 0.02 1 635 . 54 GLU HB2 H 1.846 0.02 1 636 . 54 GLU HB3 H 1.846 0.02 1 637 . 54 GLU HG2 H 2.291 0.02 2 638 . 54 GLU HG3 H 1.975 0.02 2 639 . 54 GLU C C 177.395 0.25 1 640 . 54 GLU CA C 58.717 0.25 1 641 . 54 GLU CB C 29.084 0.25 1 642 . 54 GLU CG C 37.457 0.25 1 643 . 54 GLU N N 119.568 0.25 1 644 . 55 GLY H H 9.303 0.02 1 645 . 55 GLY HA2 H 4.468 0.02 2 646 . 55 GLY HA3 H 3.754 0.02 2 647 . 55 GLY C C 174.867 0.25 1 648 . 55 GLY CA C 44.782 0.25 1 649 . 55 GLY N N 114.240 0.25 1 650 . 56 ASP H H 8.316 0.02 1 651 . 56 ASP HA H 4.651 0.02 1 652 . 56 ASP HB2 H 2.630 0.02 2 653 . 56 ASP HB3 H 2.888 0.02 2 654 . 56 ASP C C 175.682 0.25 1 655 . 56 ASP CA C 55.151 0.25 1 656 . 56 ASP CB C 41.246 0.25 1 657 . 56 ASP N N 122.136 0.25 1 658 . 57 PHE H H 8.693 0.02 1 659 . 57 PHE HA H 4.948 0.02 1 660 . 57 PHE HB2 H 3.126 0.02 2 661 . 57 PHE HB3 H 3.004 0.02 2 662 . 57 PHE HD1 H 7.185 0.02 1 663 . 57 PHE HD2 H 7.185 0.02 1 664 . 57 PHE HE1 H 7.307 0.02 1 665 . 57 PHE HE2 H 7.307 0.02 1 666 . 57 PHE HZ H 7.241 0.02 1 667 . 57 PHE C C 175.682 0.25 1 668 . 57 PHE CA C 58.419 0.25 1 669 . 57 PHE CB C 39.525 0.25 1 670 . 57 PHE CD1 C 131.928 0.25 1 671 . 57 PHE CD2 C 131.928 0.25 1 672 . 57 PHE CE1 C 131.561 0.25 1 673 . 57 PHE CE2 C 131.561 0.25 1 674 . 57 PHE CZ C 129.770 0.25 1 675 . 57 PHE N N 122.064 0.25 1 676 . 58 VAL H H 8.693 0.02 1 677 . 58 VAL HA H 4.497 0.02 1 678 . 58 VAL HB H 2.090 0.02 1 679 . 58 VAL HG1 H 0.788 0.02 2 680 . 58 VAL HG2 H 0.682 0.02 2 681 . 58 VAL C C 172.431 0.25 1 682 . 58 VAL CA C 59.128 0.25 1 683 . 58 VAL CB C 34.767 0.25 1 684 . 58 VAL CG1 C 22.780 0.25 1 685 . 58 VAL CG2 C 20.186 0.25 1 686 . 58 VAL N N 122.064 0.25 1 687 . 59 ASN H H 8.508 0.02 1 688 . 59 ASN HA H 4.725 0.02 1 689 . 59 ASN HB2 H 2.621 0.02 2 690 . 59 ASN HB3 H 2.546 0.02 2 691 . 59 ASN HD21 H 8.002 0.02 2 692 . 59 ASN HD22 H 7.072 0.02 2 693 . 59 ASN C C 174.657 0.25 1 694 . 59 ASN CA C 51.321 0.25 1 695 . 59 ASN CB C 41.974 0.25 1 696 . 59 ASN CG C 177.34 0.25 1 697 . 59 ASN N N 118.780 0.25 1 698 . 59 ASN ND2 N 114.910 0.25 1 699 . 60 GLU H H 8.493 0.02 1 700 . 60 GLU HA H 3.426 0.02 1 701 . 60 GLU HB2 H 1.787 0.02 2 702 . 60 GLU HB3 H 1.843 0.02 2 703 . 60 GLU HG2 H 2.131 0.02 2 704 . 60 GLU HG3 H 2.082 0.02 2 705 . 60 GLU C C 177.539 0.25 1 706 . 60 GLU CA C 58.375 0.25 1 707 . 60 GLU CB C 29.046 0.25 1 708 . 60 GLU CG C 35.636 0.25 1 709 . 60 GLU N N 119.154 0.25 1 710 . 61 GLY H H 9.075 0.02 1 711 . 61 GLY HA2 H 4.353 0.02 2 712 . 61 GLY HA3 H 3.570 0.02 2 713 . 61 GLY C C 175.040 0.25 1 714 . 61 GLY CA C 44.876 0.25 1 715 . 61 GLY N N 115.286 0.25 1 716 . 62 ASP H H 8.031 0.02 1 717 . 62 ASP HA H 4.528 0.02 1 718 . 62 ASP HB2 H 2.268 0.02 2 719 . 62 ASP HB3 H 2.822 0.02 2 720 . 62 ASP C C 175.717 0.25 1 721 . 62 ASP CA C 55.120 0.25 1 722 . 62 ASP CB C 41.224 0.25 1 723 . 62 ASP N N 122.180 0.25 1 724 . 63 VAL H H 8.380 0.02 1 725 . 63 VAL HA H 3.841 0.02 1 726 . 63 VAL HB H 1.890 0.02 1 727 . 63 VAL HG1 H 0.777 0.02 2 728 . 63 VAL HG2 H 0.997 0.02 2 729 . 63 VAL C C 175.592 0.25 1 730 . 63 VAL CA C 63.664 0.25 1 731 . 63 VAL CB C 32.693 0.25 1 732 . 63 VAL CG1 C 21.884 0.25 1 733 . 63 VAL CG2 C 21.681 0.25 1 734 . 63 VAL N N 121.182 0.25 1 735 . 64 LEU H H 8.903 0.02 1 736 . 64 LEU HA H 4.374 0.02 1 737 . 64 LEU HB2 H 1.247 0.02 2 738 . 64 LEU HB3 H 1.598 0.02 2 739 . 64 LEU HG H 1.415 0.02 1 740 . 64 LEU HD1 H 0.845 0.02 2 741 . 64 LEU HD2 H 0.713 0.02 2 742 . 64 LEU C C 175.577 0.25 1 743 . 64 LEU CA C 56.147 0.25 1 744 . 64 LEU CB C 43.822 0.25 1 745 . 64 LEU CG C 27.275 0.25 1 746 . 64 LEU CD1 C 23.833 0.25 1 747 . 64 LEU CD2 C 26.842 0.25 1 748 . 64 LEU N N 125.854 0.25 1 749 . 65 LEU H H 7.695 0.02 1 750 . 65 LEU HA H 5.151 0.02 1 751 . 65 LEU HB2 H 1.721 0.02 2 752 . 65 LEU HB3 H 1.601 0.02 2 753 . 65 LEU HG H 1.506 0.02 1 754 . 65 LEU HD1 H 0.815 0.02 2 755 . 65 LEU HD2 H 0.803 0.02 2 756 . 65 LEU C C 174.483 0.25 1 757 . 65 LEU CA C 52.732 0.25 1 758 . 65 LEU CB C 44.825 0.25 1 759 . 65 LEU CG C 26.182 0.25 1 760 . 65 LEU CD1 C 26.895 0.25 1 761 . 65 LEU CD2 C 25.968 0.25 1 762 . 65 LEU N N 111.761 0.25 1 763 . 66 GLU H H 8.513 0.02 1 764 . 66 GLU HA H 4.723 0.02 1 765 . 66 GLU HB2 H 2.038 0.02 2 766 . 66 GLU HB3 H 1.758 0.02 2 767 . 66 GLU HG2 H 2.270 0.02 2 768 . 66 GLU HG3 H 2.110 0.02 2 769 . 66 GLU C C 175.866 0.25 1 770 . 66 GLU CA C 54.996 0.25 1 771 . 66 GLU CB C 32.498 0.25 1 772 . 66 GLU CG C 35.554 0.25 1 773 . 66 GLU N N 120.125 0.25 1 774 . 67 LEU H H 9.482 0.02 1 775 . 67 LEU HA H 5.171 0.02 1 776 . 67 LEU HB2 H 1.468 0.02 2 777 . 67 LEU HB3 H 1.678 0.02 2 778 . 67 LEU HG H 1.419 0.02 1 779 . 67 LEU HD1 H 0.623 0.02 2 780 . 67 LEU HD2 H 0.551 0.02 2 781 . 67 LEU C C 176.933 0.25 1 782 . 67 LEU CA C 53.626 0.25 1 783 . 67 LEU CB C 44.132 0.25 1 784 . 67 LEU CG C 27.326 0.25 1 785 . 67 LEU CD1 C 25.509 0.25 1 786 . 67 LEU CD2 C 23.878 0.25 1 787 . 67 LEU N N 126.450 0.25 1 788 . 68 SER H H 9.174 0.02 1 789 . 68 SER HA H 4.493 0.02 1 790 . 68 SER HB2 H 3.822 0.02 1 791 . 68 SER HB3 H 3.822 0.02 1 792 . 68 SER CA C 58.128 0.25 1 793 . 68 SER CB C 64.338 0.25 1 794 . 68 SER N N 116.763 0.25 1 795 . 69 ASN H H 8.433 0.02 1 796 . 69 ASN HA H 4.795 0.02 1 797 . 69 ASN HB2 H 2.805 0.02 2 798 . 69 ASN HB3 H 2.910 0.02 2 799 . 69 ASN HD21 H 6.977 0.02 2 800 . 69 ASN HD22 H 7.625 0.02 2 801 . 69 ASN C C 175.232 0.25 1 802 . 69 ASN CA C 53.518 0.25 1 803 . 69 ASN CB C 38.910 0.25 1 804 . 69 ASN CG C 177.15 0.25 1 805 . 69 ASN N N 115.665 0.25 1 806 . 69 ASN ND2 N 112.743 0.25 1 807 . 70 SER H H 8.408 0.02 1 808 . 70 SER HA H 4.600 0.02 1 809 . 70 SER HB2 H 3.872 0.02 1 810 . 70 SER HB3 H 3.872 0.02 1 811 . 70 SER C C 174.778 0.25 1 812 . 70 SER CA C 58.474 0.25 1 813 . 70 SER CB C 64.105 0.25 1 814 . 70 SER N N 115.914 0.25 1 815 . 71 THR H H 8.305 0.02 1 816 . 71 THR HA H 4.396 0.02 1 817 . 71 THR HB H 4.299 0.02 1 818 . 71 THR HG2 H 1.217 0.02 1 819 . 71 THR C C 173.778 0.25 1 820 . 71 THR CA C 61.876 0.25 1 821 . 71 THR CB C 69.929 0.25 1 822 . 71 THR CG2 C 21.524 0.25 1 823 . 71 THR N N 115.920 0.25 1 824 . 72 GLN H H 8.041 0.02 1 825 . 72 GLN HA H 4.189 0.02 1 826 . 72 GLN HB2 H 1.939 0.02 2 827 . 72 GLN HB3 H 2.123 0.02 2 828 . 72 GLN HG2 H 2.306 0.02 1 829 . 72 GLN HG3 H 2.306 0.02 1 830 . 72 GLN HE21 H 7.538 0.02 2 831 . 72 GLN HE22 H 6.833 0.02 2 832 . 72 GLN CA C 57.520 0.25 1 833 . 72 GLN CB C 30.500 0.25 1 834 . 72 GLN CG C 34.33 0.25 1 835 . 72 GLN CD C 181.28 0.25 1 836 . 72 GLN N N 127.119 0.25 1 837 . 72 GLN NE2 N 112.422 0.25 1 stop_ save_