data_27394 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for FHA-1 domain of Rv1747 from Mycobacterium tuberculosis ; _BMRB_accession_number 27394 _BMRB_flat_file_name bmr27394.str _Entry_type original _Submission_date 2018-01-30 _Accession_date 2018-01-30 _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 Heinkel Florian . . 2 Shen Leo . . 3 Richard-Greenblatt Melissa . . 4 Av-Gay Yossef . . 5 Gsponer Joerg . . 6 McIntosh Lawrence . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 143 "13C chemical shifts" 407 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-13 update BMRB 'update entry citation' 2018-06-21 original author 'original release' stop_ _Original_release_date 2018-01-31 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biophysical Characterization of the Tandem FHA Domain Regulatory Module from the Mycobacteriumtuberculosis ABC Transporter Rv1747 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29861345 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Heinkel Florian . . 2 Shen Leo . . 3 Richard-Greenblatt Melissa . . 4 Okon Mark . . 5 Bui Jennifer M. . 6 Gee Christine L. . 7 Gay Laurie M. . 8 Alber Tom . . 9 Av-Gay Yossef . . 10 Gsponer Joerg . . 11 McIntosh Lawrence P. . stop_ _Journal_abbreviation Structure _Journal_volume 26 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 972 _Page_last 986 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rv1747 FHA-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rv1747 FHA-1' $Rv1747_FHA-1 stop_ _System_molecular_weight 16813 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rv1747_FHA-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rv1747_FHA-1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; GHMSQPAAPPVLTVRYEGSE RTFAAGHDVVVGRDLRADVR VAHPLISRAHLLLRFDQGRW VAIDNGSLNGLYLNNRRVPV VDIYDAQRVHIGNPDGPALD FEVGRHRGSAGRPPQTTSIR LPNLSAGAWPTDGPPQTGTL GSGQLQQLPPATTRIP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 HIS 3 3 MET 4 4 SER 5 5 GLN 6 6 PRO 7 7 ALA 8 8 ALA 9 9 PRO 10 10 PRO 11 11 VAL 12 12 LEU 13 13 THR 14 14 VAL 15 15 ARG 16 16 TYR 17 17 GLU 18 18 GLY 19 19 SER 20 20 GLU 21 21 ARG 22 22 THR 23 23 PHE 24 24 ALA 25 25 ALA 26 26 GLY 27 27 HIS 28 28 ASP 29 29 VAL 30 30 VAL 31 31 VAL 32 32 GLY 33 33 ARG 34 34 ASP 35 35 LEU 36 36 ARG 37 37 ALA 38 38 ASP 39 39 VAL 40 40 ARG 41 41 VAL 42 42 ALA 43 43 HIS 44 44 PRO 45 45 LEU 46 46 ILE 47 47 SER 48 48 ARG 49 49 ALA 50 50 HIS 51 51 LEU 52 52 LEU 53 53 LEU 54 54 ARG 55 55 PHE 56 56 ASP 57 57 GLN 58 58 GLY 59 59 ARG 60 60 TRP 61 61 VAL 62 62 ALA 63 63 ILE 64 64 ASP 65 65 ASN 66 66 GLY 67 67 SER 68 68 LEU 69 69 ASN 70 70 GLY 71 71 LEU 72 72 TYR 73 73 LEU 74 74 ASN 75 75 ASN 76 76 ARG 77 77 ARG 78 78 VAL 79 79 PRO 80 80 VAL 81 81 VAL 82 82 ASP 83 83 ILE 84 84 TYR 85 85 ASP 86 86 ALA 87 87 GLN 88 88 ARG 89 89 VAL 90 90 HIS 91 91 ILE 92 92 GLY 93 93 ASN 94 94 PRO 95 95 ASP 96 96 GLY 97 97 PRO 98 98 ALA 99 99 LEU 100 100 ASP 101 101 PHE 102 102 GLU 103 103 VAL 104 104 GLY 105 105 ARG 106 106 HIS 107 107 ARG 108 108 GLY 109 109 SER 110 110 ALA 111 111 GLY 112 112 ARG 113 113 PRO 114 114 PRO 115 115 GLN 116 116 THR 117 117 THR 118 118 SER 119 119 ILE 120 120 ARG 121 121 LEU 122 122 PRO 123 123 ASN 124 124 LEU 125 125 SER 126 126 ALA 127 127 GLY 128 128 ALA 129 129 TRP 130 130 PRO 131 131 THR 132 132 ASP 133 133 GLY 134 134 PRO 135 135 PRO 136 136 GLN 137 137 THR 138 138 GLY 139 139 THR 140 140 LEU 141 141 GLY 142 142 SER 143 143 GLY 144 144 GLN 145 145 LEU 146 146 GLN 147 147 GLN 148 148 LEU 149 149 PRO 150 150 PRO 151 151 ALA 152 152 THR 153 153 THR 154 154 ARG 155 155 ILE 156 156 PRO 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 O65934 Rv1747 . . . . . 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 _Gene_mnemonic _Details $Rv1747_FHA-1 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis H37Rv Rv1747 'FHA-1 construct spans residues 1-156 in Rv1747' 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 $Rv1747_FHA-1 'recombinant technology' . Escherichia coli 'Rosetta 2' pET28MHL 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 $Rv1747_FHA-1 300 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' '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 processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6 . 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 CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' 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 'Rv1747 FHA-1' _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 3 MET CA C 55.478 0.00 . 2 3 3 MET CB C 32.284 0.00 . 3 4 4 SER H H 8.446 0.00 . 4 4 4 SER C C 173.992 0.00 . 5 4 4 SER CA C 58.517 0.03 . 6 4 4 SER CB C 63.868 0.08 . 7 4 4 SER N N 117.984 0.01 . 8 5 5 GLN H H 8.406 0.00 . 9 5 5 GLN C C 173.882 0.00 . 10 5 5 GLN CA C 53.756 0.00 . 11 5 5 GLN CB C 29.139 0.00 . 12 5 5 GLN N N 123.021 0.01 . 13 6 6 PRO C C 176.466 0.00 . 14 6 6 PRO CA C 63.168 0.03 . 15 6 6 PRO CB C 32.179 0.05 . 16 7 7 ALA H H 8.402 0.00 . 17 7 7 ALA C C 177.065 0.00 . 18 7 7 ALA CA C 52.239 0.03 . 19 7 7 ALA CB C 19.423 0.04 . 20 7 7 ALA N N 124.563 0.02 . 21 8 8 ALA H H 8.232 0.00 . 22 8 8 ALA C C 174.793 0.00 . 23 8 8 ALA CA C 50.328 0.00 . 24 8 8 ALA CB C 18.256 0.00 . 25 8 8 ALA N N 124.685 0.02 . 26 10 10 PRO C C 177.494 0.00 . 27 10 10 PRO CA C 62.214 0.04 . 28 10 10 PRO CB C 32.782 0.03 . 29 11 11 VAL H H 8.106 0.00 . 30 11 11 VAL C C 174.774 0.00 . 31 11 11 VAL CA C 61.222 0.04 . 32 11 11 VAL CB C 32.719 0.09 . 33 11 11 VAL N N 115.558 0.03 . 34 12 12 LEU H H 8.562 0.00 . 35 12 12 LEU C C 175.656 0.01 . 36 12 12 LEU CA C 53.438 0.07 . 37 12 12 LEU CB C 43.042 0.04 . 38 12 12 LEU N N 123.268 0.03 . 39 13 13 THR H H 9.260 0.00 . 40 13 13 THR C C 173.372 0.00 . 41 13 13 THR CA C 62.353 0.11 . 42 13 13 THR CB C 69.864 0.02 . 43 13 13 THR N N 124.503 0.02 . 44 14 14 VAL H H 9.338 0.00 . 45 14 14 VAL C C 174.913 0.00 . 46 14 14 VAL CA C 60.777 0.04 . 47 14 14 VAL CB C 34.268 0.02 . 48 14 14 VAL N N 126.649 0.02 . 49 15 15 ARG H H 9.390 0.00 . 50 15 15 ARG C C 174.964 0.01 . 51 15 15 ARG CA C 54.758 0.18 . 52 15 15 ARG CB C 32.687 0.05 . 53 15 15 ARG N N 128.431 0.01 . 54 16 16 TYR H H 8.294 0.00 . 55 16 16 TYR C C 174.282 0.01 . 56 16 16 TYR CA C 56.958 0.08 . 57 16 16 TYR CB C 40.281 0.03 . 58 16 16 TYR N N 123.993 0.07 . 59 17 17 GLU H H 9.419 0.00 . 60 17 17 GLU C C 176.087 0.00 . 61 17 17 GLU CA C 57.056 0.06 . 62 17 17 GLU CB C 28.058 0.05 . 63 17 17 GLU N N 128.697 0.02 . 64 18 18 GLY H H 8.617 0.00 . 65 18 18 GLY C C 174.269 0.01 . 66 18 18 GLY CA C 45.774 0.01 . 67 18 18 GLY N N 105.941 0.01 . 68 19 19 SER H H 8.137 0.00 . 69 19 19 SER C C 173.483 0.01 . 70 19 19 SER CA C 57.549 0.11 . 71 19 19 SER CB C 65.164 0.01 . 72 19 19 SER N N 117.092 0.02 . 73 20 20 GLU H H 8.768 0.00 . 74 20 20 GLU C C 175.058 0.00 . 75 20 20 GLU CA C 55.235 0.09 . 76 20 20 GLU CB C 33.191 0.02 . 77 20 20 GLU N N 124.385 0.02 . 78 21 21 ARG H H 8.574 0.00 . 79 21 21 ARG C C 173.719 0.00 . 80 21 21 ARG CA C 55.002 0.10 . 81 21 21 ARG CB C 35.365 0.01 . 82 21 21 ARG N N 123.770 0.03 . 83 22 22 THR H H 8.057 0.00 . 84 22 22 THR C C 173.208 0.00 . 85 22 22 THR CA C 61.385 0.08 . 86 22 22 THR CB C 70.955 0.02 . 87 22 22 THR N N 117.406 0.03 . 88 23 23 PHE H H 9.353 0.00 . 89 23 23 PHE C C 173.462 0.03 . 90 23 23 PHE CA C 57.397 0.08 . 91 23 23 PHE CB C 43.279 0.02 . 92 23 23 PHE N N 124.573 0.03 . 93 24 24 ALA H H 8.647 0.00 . 94 24 24 ALA C C 177.957 0.00 . 95 24 24 ALA CA C 50.357 0.03 . 96 24 24 ALA CB C 20.661 0.03 . 97 24 24 ALA N N 123.059 0.02 . 98 25 25 ALA H H 8.954 0.00 . 99 25 25 ALA C C 178.120 0.03 . 100 25 25 ALA CA C 53.187 0.09 . 101 25 25 ALA CB C 19.400 0.02 . 102 25 25 ALA N N 122.929 0.04 . 103 26 26 GLY H H 8.141 0.00 . 104 26 26 GLY C C 173.440 0.01 . 105 26 26 GLY CA C 45.577 0.02 . 106 26 26 GLY N N 108.916 0.04 . 107 27 27 HIS H H 7.858 0.00 . 108 27 27 HIS C C 174.457 0.00 . 109 27 27 HIS CA C 54.911 0.08 . 110 27 27 HIS CB C 31.233 0.03 . 111 27 27 HIS N N 118.597 0.02 . 112 28 28 ASP H H 8.903 0.00 . 113 28 28 ASP C C 175.927 0.01 . 114 28 28 ASP CA C 55.010 0.11 . 115 28 28 ASP CB C 40.653 0.03 . 116 28 28 ASP N N 125.823 0.02 . 117 29 29 VAL H H 9.155 0.00 . 118 29 29 VAL C C 175.224 0.01 . 119 29 29 VAL CA C 61.648 0.05 . 120 29 29 VAL CB C 33.155 0.05 . 121 29 29 VAL N N 125.627 0.02 . 122 30 30 VAL H H 9.783 0.00 . 123 30 30 VAL C C 176.294 0.00 . 124 30 30 VAL CA C 62.450 0.03 . 125 30 30 VAL CB C 33.973 0.18 . 126 30 30 VAL N N 127.832 0.02 . 127 31 31 VAL H H 8.766 0.00 . 128 31 31 VAL C C 176.434 0.02 . 129 31 31 VAL CA C 59.222 0.07 . 130 31 31 VAL CB C 33.436 0.02 . 131 31 31 VAL N N 128.160 0.01 . 132 32 32 GLY H H 8.513 0.00 . 133 32 32 GLY C C 171.179 0.00 . 134 32 32 GLY CA C 46.233 0.00 . 135 32 32 GLY N N 111.793 0.04 . 136 35 35 LEU C C 178.407 0.00 . 137 35 35 LEU CA C 58.074 0.00 . 138 36 36 ARG H H 8.863 0.00 . 139 36 36 ARG C C 176.753 0.01 . 140 36 36 ARG CA C 55.208 0.03 . 141 36 36 ARG CB C 29.574 0.05 . 142 36 36 ARG N N 115.783 0.03 . 143 37 37 ALA H H 7.670 0.00 . 144 37 37 ALA C C 176.600 0.03 . 145 37 37 ALA CA C 53.335 0.05 . 146 37 37 ALA CB C 18.777 0.03 . 147 37 37 ALA N N 122.820 0.03 . 148 38 38 ASP H H 7.862 0.00 . 149 38 38 ASP C C 177.093 0.00 . 150 38 38 ASP CA C 57.817 0.05 . 151 38 38 ASP CB C 43.154 0.04 . 152 38 38 ASP N N 120.988 0.01 . 153 39 39 VAL H H 7.812 0.00 . 154 39 39 VAL C C 173.609 0.01 . 155 39 39 VAL CA C 61.713 0.04 . 156 39 39 VAL CB C 33.328 0.02 . 157 39 39 VAL N N 116.874 0.02 . 158 40 40 ARG H H 8.577 0.00 . 159 40 40 ARG C C 175.689 0.01 . 160 40 40 ARG CA C 55.431 0.10 . 161 40 40 ARG CB C 30.596 0.01 . 162 40 40 ARG N N 127.824 0.03 . 163 41 41 VAL H H 7.914 0.00 . 164 41 41 VAL C C 173.904 0.01 . 165 41 41 VAL CA C 60.915 0.04 . 166 41 41 VAL CB C 32.496 0.02 . 167 41 41 VAL N N 129.620 0.02 . 168 42 42 ALA H H 8.442 0.00 . 169 42 42 ALA C C 175.177 0.01 . 170 42 42 ALA CA C 51.500 0.05 . 171 42 42 ALA CB C 17.132 0.03 . 172 42 42 ALA N N 128.744 0.02 . 173 43 43 HIS H H 7.330 0.00 . 174 43 43 HIS C C 174.557 0.00 . 175 43 43 HIS CA C 54.908 0.00 . 176 43 43 HIS CB C 34.492 0.00 . 177 43 43 HIS N N 125.151 0.01 . 178 44 44 PRO C C 178.323 0.00 . 179 44 44 PRO CA C 64.815 0.06 . 180 44 44 PRO CB C 32.526 0.04 . 181 45 45 LEU H H 10.154 0.00 . 182 45 45 LEU C C 177.438 0.00 . 183 45 45 LEU CA C 55.820 0.06 . 184 45 45 LEU CB C 42.785 0.20 . 185 45 45 LEU N N 118.928 0.01 . 186 46 46 ILE H H 8.207 0.00 . 187 46 46 ILE C C 176.461 0.00 . 188 46 46 ILE CA C 57.628 0.09 . 189 46 46 ILE CB C 35.920 0.03 . 190 46 46 ILE N N 122.209 0.01 . 191 47 47 SER H H 11.583 0.00 . 192 47 47 SER C C 174.966 0.00 . 193 47 47 SER CA C 60.769 0.22 . 194 47 47 SER CB C 64.403 0.03 . 195 47 47 SER N N 127.288 0.02 . 196 48 48 ARG H H 9.230 0.00 . 197 48 48 ARG N N 125.136 0.02 . 198 50 50 HIS C C 175.420 0.00 . 199 50 50 HIS CA C 60.580 0.08 . 200 50 50 HIS CB C 34.935 0.02 . 201 51 51 LEU H H 8.573 0.00 . 202 51 51 LEU C C 175.802 0.01 . 203 51 51 LEU CA C 52.301 0.03 . 204 51 51 LEU CB C 47.316 0.04 . 205 51 51 LEU N N 110.361 0.03 . 206 52 52 LEU H H 8.594 0.01 . 207 52 52 LEU C C 175.721 0.01 . 208 52 52 LEU CA C 53.229 0.05 . 209 52 52 LEU CB C 44.890 0.03 . 210 52 52 LEU N N 120.050 0.03 . 211 53 53 LEU H H 9.534 0.00 . 212 53 53 LEU C C 176.127 0.01 . 213 53 53 LEU CA C 52.641 0.15 . 214 53 53 LEU CB C 41.657 0.02 . 215 53 53 LEU N N 122.520 0.01 . 216 54 54 ARG H H 8.754 0.00 . 217 54 54 ARG C C 172.879 0.00 . 218 54 54 ARG CA C 54.923 0.07 . 219 54 54 ARG CB C 35.000 0.04 . 220 54 54 ARG N N 119.811 0.02 . 221 55 55 PHE H H 8.266 0.00 . 222 55 55 PHE C C 174.299 0.00 . 223 55 55 PHE CA C 57.361 0.13 . 224 55 55 PHE CB C 38.962 0.02 . 225 55 55 PHE N N 126.594 0.01 . 226 56 56 ASP H H 8.353 0.00 . 227 56 56 ASP C C 173.918 0.00 . 228 56 56 ASP CA C 53.493 0.05 . 229 56 56 ASP CB C 44.895 0.03 . 230 56 56 ASP N N 129.119 0.02 . 231 57 57 GLN H H 8.694 0.00 . 232 57 57 GLN HE21 H 6.769 0.00 . 233 57 57 GLN HE22 H 7.628 0.00 . 234 57 57 GLN C C 176.693 0.01 . 235 57 57 GLN CA C 56.436 0.02 . 236 57 57 GLN CB C 26.845 0.03 . 237 57 57 GLN N N 121.973 0.02 . 238 57 57 GLN NE2 N 112.860 0.02 . 239 58 58 GLY H H 7.664 0.00 . 240 58 58 GLY C C 173.261 0.02 . 241 58 58 GLY CA C 45.930 0.01 . 242 58 58 GLY N N 102.131 0.02 . 243 59 59 ARG H H 6.760 0.00 . 244 59 59 ARG C C 173.057 0.02 . 245 59 59 ARG CA C 54.822 0.06 . 246 59 59 ARG CB C 32.654 0.03 . 247 59 59 ARG N N 119.060 0.10 . 248 60 60 TRP H H 8.745 0.00 . 249 60 60 TRP C C 174.839 0.01 . 250 60 60 TRP CA C 58.447 0.05 . 251 60 60 TRP CB C 30.532 0.04 . 252 60 60 TRP N N 121.790 0.04 . 253 61 61 VAL H H 9.219 0.00 . 254 61 61 VAL C C 174.082 0.01 . 255 61 61 VAL CA C 59.219 0.05 . 256 61 61 VAL CB C 35.654 0.03 . 257 61 61 VAL N N 117.208 0.02 . 258 62 62 ALA H H 8.736 0.00 . 259 62 62 ALA C C 175.181 0.01 . 260 62 62 ALA CA C 49.848 0.04 . 261 62 62 ALA CB C 20.414 0.04 . 262 62 62 ALA N N 123.443 0.02 . 263 63 63 ILE H H 9.408 0.00 . 264 63 63 ILE C C 176.336 0.00 . 265 63 63 ILE CA C 60.743 0.05 . 266 63 63 ILE CB C 41.922 0.04 . 267 63 63 ILE N N 122.783 0.01 . 268 64 64 ASP H H 8.110 0.00 . 269 64 64 ASP C C 176.317 0.00 . 270 64 64 ASP CA C 54.575 0.05 . 271 64 64 ASP CB C 40.469 0.03 . 272 64 64 ASP N N 123.368 0.03 . 273 65 65 ASN H H 8.841 0.00 . 274 65 65 ASN C C 176.104 0.04 . 275 65 65 ASN CA C 51.906 0.05 . 276 65 65 ASN CB C 37.688 0.03 . 277 65 65 ASN N N 131.977 0.02 . 278 66 66 GLY H H 7.995 0.00 . 279 66 66 GLY C C 175.577 0.00 . 280 66 66 GLY CA C 46.847 0.03 . 281 66 66 GLY N N 108.987 0.03 . 282 67 67 SER H H 7.809 0.00 . 283 67 67 SER C C 175.210 0.00 . 284 67 67 SER CA C 59.199 0.05 . 285 67 67 SER CB C 62.692 0.01 . 286 67 67 SER N N 115.458 0.02 . 287 68 68 LEU H H 7.083 0.00 . 288 68 68 LEU C C 179.874 0.01 . 289 68 68 LEU CA C 58.148 0.10 . 290 68 68 LEU CB C 42.004 0.02 . 291 68 68 LEU N N 121.198 0.03 . 292 69 69 ASN H H 9.009 0.00 . 293 69 69 ASN C C 178.042 0.00 . 294 69 69 ASN CA C 54.517 0.08 . 295 69 69 ASN CB C 40.791 0.04 . 296 69 69 ASN N N 112.145 0.02 . 297 70 70 GLY H H 8.021 0.00 . 298 70 70 GLY C C 173.347 0.00 . 299 70 70 GLY CA C 46.976 0.03 . 300 70 70 GLY N N 106.927 0.02 . 301 71 71 LEU H H 8.598 0.00 . 302 71 71 LEU C C 171.921 0.01 . 303 71 71 LEU CA C 54.926 0.08 . 304 71 71 LEU CB C 45.275 0.07 . 305 71 71 LEU N N 127.712 0.02 . 306 72 72 TYR H H 9.226 0.00 . 307 72 72 TYR C C 174.306 0.00 . 308 72 72 TYR CA C 57.182 0.08 . 309 72 72 TYR CB C 42.118 0.00 . 310 72 72 TYR N N 122.402 0.03 . 311 73 73 LEU H H 8.879 0.00 . 312 73 73 LEU C C 176.871 0.00 . 313 73 73 LEU CA C 53.418 0.06 . 314 73 73 LEU CB C 45.492 0.04 . 315 73 73 LEU N N 123.110 0.03 . 316 74 74 ASN H H 9.873 0.00 . 317 74 74 ASN HD21 H 7.184 0.00 . 318 74 74 ASN HD22 H 7.774 0.00 . 319 74 74 ASN C C 174.604 0.01 . 320 74 74 ASN CA C 54.989 0.01 . 321 74 74 ASN CB C 37.230 0.06 . 322 74 74 ASN N N 127.926 0.04 . 323 74 74 ASN ND2 N 113.467 0.00 . 324 75 75 ASN H H 8.995 0.00 . 325 75 75 ASN HD21 H 6.867 0.00 . 326 75 75 ASN HD22 H 7.483 0.00 . 327 75 75 ASN C C 173.783 0.01 . 328 75 75 ASN CA C 55.284 0.08 . 329 75 75 ASN CB C 37.748 0.06 . 330 75 75 ASN N N 109.374 0.02 . 331 75 75 ASN ND2 N 113.052 0.01 . 332 76 76 ARG H H 8.024 0.00 . 333 76 76 ARG C C 174.385 0.01 . 334 76 76 ARG CA C 55.039 0.00 . 335 76 76 ARG CB C 32.468 0.03 . 336 76 76 ARG N N 120.624 0.02 . 337 77 77 ARG H H 8.808 0.00 . 338 77 77 ARG C C 176.774 0.01 . 339 77 77 ARG CA C 56.225 0.04 . 340 77 77 ARG CB C 30.309 0.04 . 341 77 77 ARG N N 127.612 0.02 . 342 78 78 VAL H H 8.638 0.00 . 343 78 78 VAL C C 175.643 0.00 . 344 78 78 VAL CA C 57.868 0.00 . 345 78 78 VAL CB C 34.992 0.00 . 346 78 78 VAL N N 121.196 0.01 . 347 79 79 PRO C C 176.883 0.00 . 348 79 79 PRO CA C 63.893 0.05 . 349 79 79 PRO CB C 32.177 0.05 . 350 80 80 VAL H H 6.957 0.00 . 351 80 80 VAL C C 173.902 0.00 . 352 80 80 VAL CA C 59.383 0.06 . 353 80 80 VAL CB C 36.001 0.03 . 354 80 80 VAL N N 115.371 0.03 . 355 81 81 VAL H H 8.894 0.00 . 356 81 81 VAL C C 174.134 0.01 . 357 81 81 VAL CA C 61.489 0.05 . 358 81 81 VAL CB C 36.521 0.09 . 359 81 81 VAL N N 123.521 0.02 . 360 82 82 ASP H H 8.639 0.00 . 361 82 82 ASP C C 175.396 0.01 . 362 82 82 ASP CA C 54.905 0.04 . 363 82 82 ASP CB C 43.263 0.03 . 364 82 82 ASP N N 126.898 0.01 . 365 83 83 ILE H H 8.882 0.00 . 366 83 83 ILE C C 177.027 0.00 . 367 83 83 ILE CA C 60.892 0.02 . 368 83 83 ILE CB C 37.412 0.05 . 369 83 83 ILE N N 124.790 0.03 . 370 84 84 TYR H H 8.139 0.00 . 371 84 84 TYR C C 176.126 0.00 . 372 84 84 TYR CA C 59.959 0.11 . 373 84 84 TYR CB C 39.630 0.02 . 374 84 84 TYR N N 122.415 0.01 . 375 85 85 ASP H H 8.155 0.00 . 376 85 85 ASP C C 173.536 0.01 . 377 85 85 ASP CA C 55.375 0.08 . 378 85 85 ASP CB C 41.972 0.01 . 379 85 85 ASP N N 117.854 0.03 . 380 86 86 ALA H H 8.899 0.00 . 381 86 86 ALA C C 177.349 0.00 . 382 86 86 ALA CA C 52.525 0.02 . 383 86 86 ALA CB C 20.635 0.03 . 384 86 86 ALA N N 122.470 0.03 . 385 87 87 GLN H H 8.548 0.00 . 386 87 87 GLN HE21 H 7.056 0.00 . 387 87 87 GLN HE22 H 7.738 0.00 . 388 87 87 GLN C C 173.150 0.02 . 389 87 87 GLN CA C 55.198 0.02 . 390 87 87 GLN CB C 34.468 0.03 . 391 87 87 GLN N N 119.553 0.03 . 392 87 87 GLN NE2 N 112.279 0.01 . 393 88 88 ARG H H 8.625 0.00 . 394 88 88 ARG C C 176.421 0.00 . 395 88 88 ARG CA C 54.931 0.08 . 396 88 88 ARG CB C 32.623 0.02 . 397 88 88 ARG N N 126.002 0.03 . 398 89 89 VAL H H 8.687 0.00 . 399 89 89 VAL C C 174.115 0.00 . 400 89 89 VAL CA C 58.246 0.08 . 401 89 89 VAL CB C 34.456 0.05 . 402 89 89 VAL N N 117.405 0.02 . 403 90 90 HIS H H 8.799 0.00 . 404 90 90 HIS C C 174.414 0.02 . 405 90 90 HIS CA C 54.509 0.03 . 406 90 90 HIS CB C 32.483 0.03 . 407 90 90 HIS N N 116.276 0.03 . 408 91 91 ILE H H 8.725 0.00 . 409 91 91 ILE C C 175.189 0.00 . 410 91 91 ILE CA C 58.925 0.07 . 411 91 91 ILE CB C 40.882 0.03 . 412 91 91 ILE N N 113.832 0.01 . 413 92 92 GLY H H 8.045 0.01 . 414 92 92 GLY C C 170.995 0.05 . 415 92 92 GLY CA C 46.263 0.02 . 416 92 92 GLY N N 107.862 0.03 . 417 93 93 ASN H H 7.244 0.00 . 418 93 93 ASN HD21 H 6.974 0.00 . 419 93 93 ASN HD22 H 7.758 0.00 . 420 93 93 ASN C C 173.579 0.00 . 421 93 93 ASN CA C 52.029 0.00 . 422 93 93 ASN CB C 40.922 0.00 . 423 93 93 ASN N N 115.151 0.01 . 424 93 93 ASN ND2 N 112.656 0.01 . 425 94 94 PRO C C 174.711 0.00 . 426 94 94 PRO CA C 65.364 0.05 . 427 94 94 PRO CB C 31.155 0.02 . 428 95 95 ASP H H 7.733 0.00 . 429 95 95 ASP C C 176.702 0.00 . 430 95 95 ASP CA C 52.080 0.02 . 431 95 95 ASP CB C 40.248 0.05 . 432 95 95 ASP N N 112.545 0.01 . 433 96 96 GLY H H 7.320 0.00 . 434 96 96 GLY C C 170.495 0.00 . 435 96 96 GLY CA C 43.792 0.00 . 436 96 96 GLY N N 106.583 0.02 . 437 97 97 PRO C C 173.543 0.01 . 438 97 97 PRO CA C 64.371 0.16 . 439 97 97 PRO CB C 32.096 0.05 . 440 98 98 ALA H H 8.486 0.00 . 441 98 98 ALA C C 176.856 0.03 . 442 98 98 ALA CA C 50.107 0.03 . 443 98 98 ALA CB C 20.133 0.03 . 444 98 98 ALA N N 125.982 0.03 . 445 99 99 LEU H H 8.295 0.00 . 446 99 99 LEU C C 174.103 0.02 . 447 99 99 LEU CA C 53.664 0.10 . 448 99 99 LEU CB C 45.193 0.02 . 449 99 99 LEU N N 119.728 0.03 . 450 100 100 ASP H H 8.094 0.00 . 451 100 100 ASP C C 174.571 0.00 . 452 100 100 ASP CA C 53.292 0.02 . 453 100 100 ASP CB C 44.067 0.04 . 454 100 100 ASP N N 119.297 0.04 . 455 101 101 PHE H H 8.939 0.00 . 456 101 101 PHE C C 176.070 0.01 . 457 101 101 PHE CA C 54.490 0.03 . 458 101 101 PHE CB C 42.956 0.04 . 459 101 101 PHE N N 119.832 0.03 . 460 102 102 GLU H H 9.110 0.00 . 461 102 102 GLU C C 174.720 0.00 . 462 102 102 GLU CA C 55.399 0.11 . 463 102 102 GLU CB C 33.746 0.02 . 464 102 102 GLU N N 122.082 0.02 . 465 103 103 VAL H H 8.874 0.00 . 466 103 103 VAL C C 177.018 0.00 . 467 103 103 VAL CA C 61.947 0.10 . 468 103 103 VAL CB C 33.699 0.00 . 469 103 103 VAL N N 124.758 0.02 . 470 104 104 GLY H H 9.095 0.00 . 471 104 104 GLY C C 173.441 0.01 . 472 104 104 GLY CA C 45.723 0.02 . 473 104 104 GLY N N 114.155 0.01 . 474 105 105 ARG H H 8.419 0.00 . 475 105 105 ARG C C 176.082 0.01 . 476 105 105 ARG CA C 55.907 0.06 . 477 105 105 ARG CB C 30.922 0.05 . 478 105 105 ARG N N 120.326 0.05 . 479 106 106 HIS H H 8.543 0.01 . 480 106 106 HIS C C 175.002 0.03 . 481 106 106 HIS CA C 56.004 0.00 . 482 106 106 HIS CB C 30.120 0.00 . 483 106 106 HIS N N 120.542 0.02 . 484 107 107 ARG H H 8.513 0.00 . 485 107 107 ARG C C 176.729 0.02 . 486 107 107 ARG CA C 56.366 0.04 . 487 107 107 ARG CB C 30.787 0.09 . 488 107 107 ARG N N 123.248 0.05 . 489 108 108 GLY H H 8.522 0.01 . 490 108 108 GLY CA C 45.362 0.00 . 491 108 108 GLY N N 110.352 0.03 . 492 109 109 SER C C 174.442 0.00 . 493 109 109 SER CA C 58.521 0.02 . 494 109 109 SER CB C 64.002 0.00 . 495 110 110 ALA H H 8.432 0.00 . 496 110 110 ALA C C 178.109 0.01 . 497 110 110 ALA CA C 52.793 0.03 . 498 110 110 ALA CB C 19.252 0.03 . 499 110 110 ALA N N 125.965 0.03 . 500 111 111 GLY H H 8.347 0.00 . 501 111 111 GLY C C 173.700 0.01 . 502 111 111 GLY CA C 45.217 0.01 . 503 111 111 GLY N N 107.991 0.02 . 504 112 112 ARG H H 8.111 0.00 . 505 112 112 ARG CA C 53.944 0.00 . 506 112 112 ARG CB C 30.282 0.00 . 507 112 112 ARG N N 121.499 0.01 . 508 115 115 GLN C C 176.248 0.02 . 509 115 115 GLN CA C 55.818 0.00 . 510 115 115 GLN CB C 29.738 0.05 . 511 116 116 THR H H 8.292 0.00 . 512 116 116 THR C C 174.621 0.02 . 513 116 116 THR CA C 61.862 0.08 . 514 116 116 THR CB C 69.874 0.01 . 515 116 116 THR N N 115.673 0.06 . 516 117 117 THR H H 8.217 0.00 . 517 117 117 THR C C 174.427 0.01 . 518 117 117 THR CA C 61.813 0.06 . 519 117 117 THR CB C 69.897 0.01 . 520 117 117 THR N N 116.281 0.01 . 521 118 118 SER H H 8.372 0.00 . 522 118 118 SER C C 174.239 0.02 . 523 118 118 SER CA C 58.410 0.04 . 524 118 118 SER CB C 63.917 0.01 . 525 118 118 SER N N 118.455 0.03 . 526 119 119 ILE H H 8.136 0.00 . 527 119 119 ILE C C 175.785 0.00 . 528 119 119 ILE CA C 61.210 0.03 . 529 119 119 ILE CB C 38.883 0.01 . 530 119 119 ILE N N 122.643 0.02 . 531 120 120 ARG H H 8.388 0.00 . 532 120 120 ARG C C 174.815 0.90 . 533 120 120 ARG CA C 55.826 0.11 . 534 120 120 ARG CB C 30.920 0.04 . 535 120 120 ARG N N 125.648 0.02 . 536 121 121 LEU H H 8.298 0.00 . 537 121 121 LEU CA C 58.707 0.00 . 538 121 121 LEU CB C 38.595 0.00 . 539 121 121 LEU N N 125.508 0.01 . 540 122 122 PRO CA C 63.282 0.00 . 541 122 122 PRO CB C 32.204 0.00 . 542 123 123 ASN H H 8.446 0.00 . 543 123 123 ASN HD21 H 6.942 0.00 . 544 123 123 ASN HD22 H 7.627 0.00 . 545 123 123 ASN C C 175.304 0.00 . 546 123 123 ASN CA C 53.287 0.07 . 547 123 123 ASN CB C 38.585 0.02 . 548 123 123 ASN N N 117.985 0.01 . 549 123 123 ASN ND2 N 112.775 0.02 . 550 124 124 LEU H H 8.253 0.00 . 551 124 124 LEU C C 177.545 0.00 . 552 124 124 LEU CA C 55.444 0.06 . 553 124 124 LEU CB C 42.197 0.05 . 554 124 124 LEU N N 123.004 0.02 . 555 125 125 SER H H 8.285 0.00 . 556 125 125 SER C C 174.359 0.00 . 557 125 125 SER CA C 58.635 0.02 . 558 125 125 SER CB C 63.850 0.01 . 559 125 125 SER N N 116.303 0.05 . 560 126 126 ALA H H 8.253 0.00 . 561 126 126 ALA C C 178.099 0.01 . 562 126 126 ALA CA C 52.879 0.04 . 563 126 126 ALA CB C 19.164 0.06 . 564 126 126 ALA N N 125.663 0.02 . 565 127 127 GLY H H 8.226 0.00 . 566 127 127 GLY C C 173.463 0.01 . 567 127 127 GLY CA C 45.224 0.00 . 568 127 127 GLY N N 107.869 0.03 . 569 128 128 ALA H H 7.929 0.00 . 570 128 128 ALA C C 176.998 0.01 . 571 128 128 ALA CA C 52.202 0.02 . 572 128 128 ALA CB C 19.479 0.04 . 573 128 128 ALA N N 123.192 0.01 . 574 129 129 TRP H H 8.143 0.00 . 575 129 129 TRP C C 174.690 0.00 . 576 129 129 TRP CA C 54.995 0.00 . 577 129 129 TRP CB C 29.265 0.00 . 578 129 129 TRP N N 121.932 0.02 . 579 130 130 PRO C C 177.256 0.00 . 580 130 130 PRO CA C 63.436 0.03 . 581 130 130 PRO CB C 32.160 0.08 . 582 131 131 THR H H 8.204 0.00 . 583 131 131 THR C C 174.522 0.01 . 584 131 131 THR CA C 62.121 0.07 . 585 131 131 THR CB C 69.806 0.02 . 586 131 131 THR N N 113.448 0.04 . 587 132 132 ASP H H 8.293 0.00 . 588 132 132 ASP C C 176.159 0.00 . 589 132 132 ASP CA C 54.338 0.01 . 590 132 132 ASP CB C 41.229 0.04 . 591 132 132 ASP N N 121.671 0.02 . 592 133 133 GLY H H 8.069 0.01 . 593 133 133 GLY C C 170.992 0.00 . 594 133 133 GLY CA C 44.626 0.00 . 595 133 133 GLY N N 108.820 0.01 . 596 135 135 PRO C C 177.036 0.01 . 597 135 135 PRO CA C 63.095 0.05 . 598 135 135 PRO CB C 31.985 0.01 . 599 136 136 GLN H H 8.524 0.01 . 600 136 136 GLN C C 176.312 0.02 . 601 136 136 GLN CA C 55.885 0.09 . 602 136 136 GLN CB C 29.479 0.08 . 603 136 136 GLN N N 120.869 0.05 . 604 137 137 THR H H 8.185 0.00 . 605 137 137 THR C C 175.083 0.00 . 606 137 137 THR CA C 62.028 0.07 . 607 137 137 THR CB C 69.923 0.01 . 608 137 137 THR N N 114.832 0.03 . 609 138 138 GLY H H 8.473 0.00 . 610 138 138 GLY C C 174.339 0.02 . 611 138 138 GLY CA C 45.477 0.00 . 612 138 138 GLY N N 111.129 0.03 . 613 139 139 THR H H 8.126 0.00 . 614 139 139 THR C C 174.809 0.01 . 615 139 139 THR CA C 62.033 0.00 . 616 139 139 THR CB C 69.935 0.00 . 617 139 139 THR N N 113.832 0.02 . 618 140 140 LEU H H 8.385 0.00 . 619 140 140 LEU C C 177.955 0.01 . 620 140 140 LEU CA C 55.555 0.05 . 621 140 140 LEU CB C 42.360 0.00 . 622 140 140 LEU N N 124.707 0.04 . 623 141 141 GLY H H 8.464 0.00 . 624 141 141 GLY C C 174.405 0.00 . 625 141 141 GLY CA C 45.407 0.01 . 626 141 141 GLY N N 109.918 0.03 . 627 142 142 SER H H 8.299 0.00 . 628 142 142 SER C C 175.389 0.00 . 629 142 142 SER CA C 58.806 0.03 . 630 142 142 SER CB C 63.931 0.01 . 631 142 142 SER N N 115.645 0.04 . 632 143 143 GLY H H 8.551 0.00 . 633 143 143 GLY C C 174.214 0.01 . 634 143 143 GLY CA C 45.587 0.03 . 635 143 143 GLY N N 110.909 0.02 . 636 144 144 GLN H H 8.185 0.00 . 637 144 144 GLN HE21 H 6.886 0.00 . 638 144 144 GLN HE22 H 7.561 0.00 . 639 144 144 GLN C C 176.052 0.00 . 640 144 144 GLN CA C 55.975 0.04 . 641 144 144 GLN CB C 29.566 0.04 . 642 144 144 GLN N N 119.684 0.01 . 643 144 144 GLN NE2 N 112.419 0.02 . 644 145 145 LEU H H 8.291 0.00 . 645 145 145 LEU C C 177.294 0.01 . 646 145 145 LEU CA C 55.474 0.12 . 647 145 145 LEU CB C 42.328 0.02 . 648 145 145 LEU N N 123.097 0.04 . 649 146 146 GLN H H 8.393 0.08 . 650 146 146 GLN C C 175.585 0.00 . 651 146 146 GLN CA C 55.834 0.00 . 652 146 146 GLN CB C 29.600 0.04 . 653 146 146 GLN N N 120.981 0.13 . 654 147 147 GLN H H 8.370 0.00 . 655 147 147 GLN C C 175.516 0.00 . 656 147 147 GLN CA C 55.593 0.10 . 657 147 147 GLN CB C 29.661 0.05 . 658 147 147 GLN N N 121.690 0.03 . 659 148 148 LEU H H 8.356 0.00 . 660 148 148 LEU C C 174.750 0.00 . 661 148 148 LEU CA C 53.114 0.00 . 662 148 148 LEU CB C 41.640 0.00 . 663 148 148 LEU N N 125.381 0.03 . 664 150 150 PRO C C 176.815 0.00 . 665 150 150 PRO CA C 62.986 0.04 . 666 150 150 PRO CB C 32.090 0.06 . 667 151 151 ALA H H 8.465 0.00 . 668 151 151 ALA C C 178.086 0.00 . 669 151 151 ALA CA C 52.683 0.03 . 670 151 151 ALA CB C 19.269 0.04 . 671 151 151 ALA N N 124.314 0.01 . 672 152 152 THR H H 8.146 0.00 . 673 152 152 THR C C 174.643 0.00 . 674 152 152 THR CA C 61.870 0.09 . 675 152 152 THR CB C 69.864 0.00 . 676 152 152 THR N N 113.101 0.03 . 677 153 153 THR H H 8.139 0.00 . 678 153 153 THR C C 174.073 0.02 . 679 153 153 THR CA C 62.013 0.00 . 680 153 153 THR CB C 69.887 0.00 . 681 153 153 THR N N 116.818 0.02 . 682 154 154 ARG H H 8.335 0.00 . 683 154 154 ARG C C 175.637 0.00 . 684 154 154 ARG CA C 56.046 0.00 . 685 154 154 ARG CB C 30.939 0.00 . 686 154 154 ARG N N 124.283 0.04 . stop_ save_