data_26969 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments of the Pseudomonas aeruginosa major pilin PilA from strain PA14 ; _BMRB_accession_number 26969 _BMRB_flat_file_name bmr26969.str _Entry_type original _Submission_date 2016-12-07 _Accession_date 2016-12-07 _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 Nguyen Ylan . . 2 McNicholl Tyler . . 3 Akimoto Madoka . . 4 Aidoo Francisca . . 5 Melacini Giuseppe . . 6 Burrows Lori L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 139 "13C chemical shifts" 434 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-26 original BMRB . stop_ _Original_release_date 2016-12-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Highly Dynamic Loop of the Pseudomonas aeruginosa PA14 Type IV Pilin Is Essential for Pilus Assembly. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29342354 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nguyen Ylan . . 2 Boulton Stephen . . 3 McNicholl 'E Tyler' T. . 4 Akimoto Madoka . . 5 Harvey Hanjeong . . 6 Aidoo Francisca . . 7 Melacini Giuseppe . . 8 Burrows Lori L. . stop_ _Journal_abbreviation 'ACS Infect. Dis.' _Journal_name_full 'ACS infectious diseases' _Journal_volume 4 _Journal_issue 6 _Journal_ISSN 2373-8227 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 936 _Page_last 943 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PilA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PilA $PilA 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_PilA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PilA _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; GIDPFTIRARVTEGVGLAAS AKTLIGDSSATAGELAASAR VWNAQAGNAGATSKYVTSVR IAEATGEITVTFNATNVGNI PADSTLVFTPYVQNAAGAPT QLGASYAAGVTGSIDWGCAS ESNAVSSGPDRNMPALTAGT LPARFAPSECR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 ASP 4 PRO 5 PHE 6 THR 7 ILE 8 ARG 9 ALA 10 ARG 11 VAL 12 THR 13 GLU 14 GLY 15 VAL 16 GLY 17 LEU 18 ALA 19 ALA 20 SER 21 ALA 22 LYS 23 THR 24 LEU 25 ILE 26 GLY 27 ASP 28 SER 29 SER 30 ALA 31 THR 32 ALA 33 GLY 34 GLU 35 LEU 36 ALA 37 ALA 38 SER 39 ALA 40 ARG 41 VAL 42 TRP 43 ASN 44 ALA 45 GLN 46 ALA 47 GLY 48 ASN 49 ALA 50 GLY 51 ALA 52 THR 53 SER 54 LYS 55 TYR 56 VAL 57 THR 58 SER 59 VAL 60 ARG 61 ILE 62 ALA 63 GLU 64 ALA 65 THR 66 GLY 67 GLU 68 ILE 69 THR 70 VAL 71 THR 72 PHE 73 ASN 74 ALA 75 THR 76 ASN 77 VAL 78 GLY 79 ASN 80 ILE 81 PRO 82 ALA 83 ASP 84 SER 85 THR 86 LEU 87 VAL 88 PHE 89 THR 90 PRO 91 TYR 92 VAL 93 GLN 94 ASN 95 ALA 96 ALA 97 GLY 98 ALA 99 PRO 100 THR 101 GLN 102 LEU 103 GLY 104 ALA 105 SER 106 TYR 107 ALA 108 ALA 109 GLY 110 VAL 111 THR 112 GLY 113 SER 114 ILE 115 ASP 116 TRP 117 GLY 118 CYS 119 ALA 120 SER 121 GLU 122 SER 123 ASN 124 ALA 125 VAL 126 SER 127 SER 128 GLY 129 PRO 130 ASP 131 ARG 132 ASN 133 MET 134 PRO 135 ALA 136 LEU 137 THR 138 ALA 139 GLY 140 THR 141 LEU 142 PRO 143 ALA 144 ARG 145 PHE 146 ALA 147 PRO 148 SER 149 GLU 150 CYS 151 ARG 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 A0A0H2ZFW8 . . . . . . 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 $PilA 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa PA14 pilA 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 $PilA 'recombinant technology' . Escherichia coli Origami pET151 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 $PilA 0.5 mM '[U-13C; U-15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PilA 0.5 mM [U-15N]-Leu TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _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_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_15N_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 306 . 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 HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D 15N NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PilA _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ILE C C 175.082 0.000 1 2 2 2 ILE CA C 61.254 0.046 1 3 2 2 ILE CB C 39.350 0.005 1 4 3 3 ASP H H 8.425 0.007 1 5 3 3 ASP C C 175.053 0.000 1 6 3 3 ASP CA C 52.134 0.000 1 7 3 3 ASP CB C 41.930 0.000 1 8 3 3 ASP N N 126.427 0.028 1 9 4 4 PRO C C 177.671 0.000 1 10 4 4 PRO CA C 65.592 0.006 1 11 4 4 PRO CB C 32.529 0.076 1 12 5 5 PHE H H 8.248 0.001 1 13 5 5 PHE C C 178.598 0.009 1 14 5 5 PHE CA C 62.119 0.018 1 15 5 5 PHE CB C 38.601 0.044 1 16 5 5 PHE N N 117.836 0.019 1 17 6 6 THR H H 7.896 0.005 1 18 6 6 THR C C 176.010 0.009 1 19 6 6 THR CA C 66.789 0.025 1 20 6 6 THR CB C 68.653 0.047 1 21 6 6 THR N N 119.130 0.048 1 22 7 7 ILE H H 7.481 0.005 1 23 7 7 ILE C C 177.924 0.009 1 24 7 7 ILE CA C 66.432 0.050 1 25 7 7 ILE CB C 38.034 0.021 1 26 7 7 ILE N N 121.303 0.011 1 27 8 8 ARG H H 8.275 0.004 1 28 8 8 ARG C C 179.062 0.004 1 29 8 8 ARG CA C 60.570 0.020 1 30 8 8 ARG CB C 30.824 0.041 1 31 8 8 ARG N N 116.628 0.046 1 32 9 9 ALA H H 7.822 0.001 1 33 9 9 ALA C C 180.593 0.013 1 34 9 9 ALA CA C 55.700 0.038 1 35 9 9 ALA CB C 18.192 0.051 1 36 9 9 ALA N N 122.608 0.020 1 37 10 10 ARG H H 7.821 0.005 1 38 10 10 ARG C C 178.099 0.001 1 39 10 10 ARG CA C 60.091 0.040 1 40 10 10 ARG CB C 30.636 0.057 1 41 10 10 ARG N N 121.365 0.020 1 42 11 11 VAL H H 8.177 0.002 1 43 11 11 VAL C C 178.501 0.009 1 44 11 11 VAL CA C 66.322 0.029 1 45 11 11 VAL CB C 32.035 0.040 1 46 11 11 VAL N N 119.808 0.006 1 47 12 12 THR H H 8.362 0.006 1 48 12 12 THR C C 176.786 0.000 1 49 12 12 THR CA C 67.815 0.090 1 50 12 12 THR CB C 68.701 0.046 1 51 12 12 THR N N 116.551 0.019 1 52 13 13 GLU H H 7.947 0.002 1 53 13 13 GLU C C 180.752 0.010 1 54 13 13 GLU CA C 60.522 0.031 1 55 13 13 GLU CB C 29.841 0.062 1 56 13 13 GLU N N 123.108 0.025 1 57 14 14 GLY H H 8.573 0.004 1 58 14 14 GLY C C 174.810 0.002 1 59 14 14 GLY CA C 48.444 0.048 1 60 14 14 GLY N N 109.252 0.040 1 61 15 15 VAL H H 8.697 0.006 1 62 15 15 VAL C C 178.562 0.008 1 63 15 15 VAL CA C 66.817 0.004 1 64 15 15 VAL CB C 31.798 0.044 1 65 15 15 VAL N N 120.046 0.018 1 66 16 16 GLY H H 7.876 0.002 1 67 16 16 GLY C C 176.533 0.003 1 68 16 16 GLY CA C 47.403 0.059 1 69 16 16 GLY N N 108.194 0.028 1 70 17 17 LEU H H 7.724 0.004 1 71 17 17 LEU C C 178.313 0.005 1 72 17 17 LEU CA C 57.523 0.032 1 73 17 17 LEU CB C 43.039 0.033 1 74 17 17 LEU N N 121.922 0.036 1 75 18 18 ALA H H 7.626 0.002 1 76 18 18 ALA C C 177.606 0.004 1 77 18 18 ALA CA C 52.701 0.034 1 78 18 18 ALA CB C 18.358 0.076 1 79 18 18 ALA N N 115.657 0.040 1 80 19 19 ALA H H 7.471 0.003 1 81 19 19 ALA C C 180.225 0.005 1 82 19 19 ALA CA C 56.499 0.000 1 83 19 19 ALA CB C 18.210 0.032 1 84 19 19 ALA N N 122.583 0.041 1 85 20 20 SER H H 8.069 0.010 1 86 20 20 SER C C 176.045 0.000 1 87 20 20 SER CA C 61.728 0.060 1 88 20 20 SER CB C 63.071 0.098 1 89 20 20 SER N N 111.903 0.048 1 90 21 21 ALA H H 6.328 0.002 1 91 21 21 ALA C C 177.667 0.006 1 92 21 21 ALA CA C 54.769 0.052 1 93 21 21 ALA CB C 16.503 0.059 1 94 21 21 ALA N N 125.733 0.017 1 95 22 22 LYS H H 7.401 0.002 1 96 22 22 LYS C C 180.588 0.011 1 97 22 22 LYS CA C 59.757 0.054 1 98 22 22 LYS CB C 32.809 0.080 1 99 22 22 LYS N N 117.051 0.014 1 100 23 23 THR H H 7.844 0.006 1 101 23 23 THR C C 175.435 0.003 1 102 23 23 THR CA C 66.721 0.027 1 103 23 23 THR CB C 69.031 0.061 1 104 23 23 THR N N 117.211 0.030 1 105 24 24 LEU H H 7.329 0.002 1 106 24 24 LEU C C 178.764 0.000 1 107 24 24 LEU CA C 58.716 0.041 1 108 24 24 LEU CB C 42.217 0.036 1 109 24 24 LEU N N 122.824 0.025 1 110 25 25 ILE H H 7.937 0.001 1 111 25 25 ILE C C 178.560 0.016 1 112 25 25 ILE CA C 62.696 0.016 1 113 25 25 ILE CB C 36.284 0.032 1 114 25 25 ILE N N 118.026 0.030 1 115 26 26 GLY H H 8.451 0.002 1 116 26 26 GLY C C 175.939 0.011 1 117 26 26 GLY CA C 47.990 0.040 1 118 26 26 GLY N N 106.813 0.016 1 119 27 27 ASP H H 7.932 0.004 1 120 27 27 ASP C C 178.112 0.008 1 121 27 27 ASP CA C 56.265 0.047 1 122 27 27 ASP CB C 42.201 0.046 1 123 27 27 ASP N N 119.516 0.033 1 124 28 28 SER H H 7.798 0.006 1 125 28 28 SER C C 173.274 0.009 1 126 28 28 SER CA C 57.245 0.021 1 127 28 28 SER CB C 64.128 0.000 1 128 28 28 SER N N 116.526 0.021 1 129 29 29 SER H H 8.079 0.010 1 130 29 29 SER C C 176.499 0.043 1 131 29 29 SER CA C 57.536 0.066 1 132 29 29 SER CB C 63.592 0.038 1 133 29 29 SER N N 111.487 0.043 1 134 30 30 ALA H H 8.858 0.007 1 135 30 30 ALA C C 178.115 0.005 1 136 30 30 ALA CA C 56.148 0.041 1 137 30 30 ALA CB C 19.614 0.080 1 138 30 30 ALA N N 125.940 0.013 1 139 31 31 THR H H 7.034 0.002 1 140 31 31 THR C C 173.405 0.004 1 141 31 31 THR CA C 59.055 0.036 1 142 31 31 THR CB C 73.599 0.042 1 143 31 31 THR N N 101.855 0.019 1 144 32 32 ALA H H 8.024 0.003 1 145 32 32 ALA C C 181.422 0.002 1 146 32 32 ALA CA C 55.136 0.064 1 147 32 32 ALA CB C 17.976 0.068 1 148 32 32 ALA N N 123.365 0.032 1 149 33 33 GLY H H 8.478 0.006 1 150 33 33 GLY C C 176.731 0.012 1 151 33 33 GLY CA C 47.023 0.059 1 152 33 33 GLY N N 106.389 0.019 1 153 34 34 GLU H H 7.708 0.004 1 154 34 34 GLU C C 178.417 0.005 1 155 34 34 GLU CA C 59.876 0.052 1 156 34 34 GLU CB C 30.623 0.062 1 157 34 34 GLU N N 124.628 0.023 1 158 35 35 LEU H H 7.985 0.002 1 159 35 35 LEU C C 177.812 0.008 1 160 35 35 LEU CA C 58.983 0.053 1 161 35 35 LEU CB C 41.495 0.000 1 162 35 35 LEU N N 122.209 0.038 1 163 36 36 ALA H H 7.783 0.004 1 164 36 36 ALA C C 179.424 0.007 1 165 36 36 ALA CA C 55.748 0.030 1 166 36 36 ALA CB C 18.343 0.066 1 167 36 36 ALA N N 118.299 0.017 1 168 37 37 ALA H H 7.878 0.002 1 169 37 37 ALA C C 180.838 0.004 1 170 37 37 ALA CA C 55.722 0.032 1 171 37 37 ALA CB C 18.535 0.081 1 172 37 37 ALA N N 118.977 0.018 1 173 38 38 SER H H 8.616 0.002 1 174 38 38 SER C C 175.786 0.005 1 175 38 38 SER CA C 62.284 0.167 1 176 38 38 SER CB C 63.083 0.028 1 177 38 38 SER N N 116.642 0.017 1 178 39 39 ALA H H 8.416 0.001 1 179 39 39 ALA C C 178.174 0.005 1 180 39 39 ALA CA C 56.196 0.044 1 181 39 39 ALA CB C 18.270 0.063 1 182 39 39 ALA N N 124.085 0.029 1 183 40 40 ARG H H 8.208 0.002 1 184 40 40 ARG C C 180.381 0.004 1 185 40 40 ARG CA C 60.502 0.028 1 186 40 40 ARG CB C 31.030 0.060 1 187 40 40 ARG N N 115.697 0.022 1 188 41 41 VAL H H 7.921 0.002 1 189 41 41 VAL C C 178.459 0.008 1 190 41 41 VAL CA C 66.836 0.021 1 191 41 41 VAL CB C 32.088 0.040 1 192 41 41 VAL N N 120.321 0.031 1 193 42 42 TRP H H 8.186 0.002 1 194 42 42 TRP C C 178.718 0.027 1 195 42 42 TRP CA C 61.253 0.055 1 196 42 42 TRP CB C 29.170 0.079 1 197 42 42 TRP N N 121.173 0.017 1 198 43 43 ASN H H 8.900 0.002 1 199 43 43 ASN C C 175.591 0.022 1 200 43 43 ASN CA C 55.467 0.020 1 201 43 43 ASN CB C 38.284 0.051 1 202 43 43 ASN N N 115.019 0.018 1 203 44 44 ALA H H 7.083 0.004 1 204 44 44 ALA C C 179.487 0.015 1 205 44 44 ALA CA C 52.946 0.053 1 206 44 44 ALA CB C 19.665 0.087 1 207 44 44 ALA N N 116.595 0.045 1 208 45 45 GLN H H 7.593 0.003 1 209 45 45 GLN C C 176.293 0.009 1 210 45 45 GLN CA C 56.426 0.064 1 211 45 45 GLN CB C 30.302 0.076 1 212 45 45 GLN N N 117.145 0.042 1 213 46 46 ALA H H 8.789 0.007 1 214 46 46 ALA C C 178.815 0.031 1 215 46 46 ALA CA C 52.450 0.081 1 216 46 46 ALA CB C 16.661 0.056 1 217 46 46 ALA N N 121.902 0.028 1 218 47 47 GLY H H 8.773 0.008 1 219 47 47 GLY C C 175.798 0.000 1 220 47 47 GLY CA C 48.035 0.000 1 221 47 47 GLY N N 107.427 0.033 1 222 48 48 ASN C C 174.577 0.010 1 223 48 48 ASN CA C 55.498 0.031 1 224 48 48 ASN CB C 37.430 0.060 1 225 49 49 ALA H H 7.528 0.002 1 226 49 49 ALA C C 177.308 0.011 1 227 49 49 ALA CA C 52.823 0.037 1 228 49 49 ALA CB C 20.724 0.084 1 229 49 49 ALA N N 120.423 0.016 1 230 50 50 GLY H H 8.159 0.001 1 231 50 50 GLY C C 174.086 0.004 1 232 50 50 GLY CA C 46.324 0.047 1 233 50 50 GLY N N 111.609 0.022 1 234 51 51 ALA H H 8.135 0.005 1 235 51 51 ALA C C 173.811 0.010 1 236 51 51 ALA CA C 52.933 0.000 1 237 51 51 ALA CB C 22.518 0.093 1 238 51 51 ALA N N 122.744 0.012 1 239 52 52 THR H H 7.742 0.007 1 240 52 52 THR C C 172.439 0.005 1 241 52 52 THR CA C 59.613 0.060 1 242 52 52 THR CB C 72.269 0.033 1 243 52 52 THR N N 107.128 0.020 1 244 53 53 SER H H 9.110 0.005 1 245 53 53 SER C C 174.293 0.000 1 246 53 53 SER CA C 57.130 0.000 1 247 53 53 SER CB C 66.487 0.000 1 248 53 53 SER N N 117.460 0.022 1 249 54 54 LYS C C 176.421 0.009 1 250 54 54 LYS CA C 59.594 0.053 1 251 54 54 LYS CB C 32.326 0.047 1 252 55 55 TYR H H 7.283 0.003 1 253 55 55 TYR C C 175.206 0.006 1 254 55 55 TYR CA C 57.015 0.071 1 255 55 55 TYR CB C 39.926 0.055 1 256 55 55 TYR N N 110.901 0.041 1 257 56 56 VAL H H 7.418 0.001 1 258 56 56 VAL C C 174.795 0.004 1 259 56 56 VAL CA C 62.512 0.027 1 260 56 56 VAL CB C 35.650 0.031 1 261 56 56 VAL N N 122.548 0.024 1 262 57 57 THR H H 8.858 0.003 1 263 57 57 THR C C 174.363 0.013 1 264 57 57 THR CA C 64.349 0.087 1 265 57 57 THR CB C 69.608 0.042 1 266 57 57 THR N N 122.113 0.019 1 267 58 58 SER H H 7.445 0.001 1 268 58 58 SER C C 173.085 0.008 1 269 58 58 SER CA C 59.087 0.023 1 270 58 58 SER CB C 65.354 0.057 1 271 58 58 SER N N 111.416 0.015 1 272 59 59 VAL H H 8.768 0.002 1 273 59 59 VAL C C 174.875 0.001 1 274 59 59 VAL CA C 62.676 0.033 1 275 59 59 VAL CB C 34.889 0.023 1 276 59 59 VAL N N 120.550 0.036 1 277 60 60 ARG H H 8.524 0.001 1 278 60 60 ARG C C 174.562 0.014 1 279 60 60 ARG CA C 54.532 0.018 1 280 60 60 ARG CB C 34.570 0.034 1 281 60 60 ARG N N 125.964 0.021 1 282 61 61 ILE H H 10.051 0.004 1 283 61 61 ILE C C 176.344 0.009 1 284 61 61 ILE CA C 60.783 0.009 1 285 61 61 ILE CB C 40.874 0.025 1 286 61 61 ILE N N 122.891 0.041 1 287 62 62 ALA H H 8.976 0.001 1 288 62 62 ALA C C 178.279 0.004 1 289 62 62 ALA CA C 52.360 0.050 1 290 62 62 ALA CB C 19.611 0.072 1 291 62 62 ALA N N 131.704 0.015 1 292 63 63 GLU H H 8.825 0.004 1 293 63 63 GLU C C 176.301 0.009 1 294 63 63 GLU CA C 60.181 0.045 1 295 63 63 GLU CB C 31.082 0.070 1 296 63 63 GLU N N 125.741 0.015 1 297 64 64 ALA H H 8.470 0.005 1 298 64 64 ALA C C 178.760 0.007 1 299 64 64 ALA CA C 53.534 0.076 1 300 64 64 ALA CB C 20.326 0.079 1 301 64 64 ALA N N 114.004 0.017 1 302 65 65 THR H H 6.777 0.002 1 303 65 65 THR C C 175.629 0.027 1 304 65 65 THR CA C 61.234 0.050 1 305 65 65 THR CB C 72.096 0.039 1 306 65 65 THR N N 100.702 0.036 1 307 66 66 GLY H H 8.566 0.003 1 308 66 66 GLY C C 170.313 0.003 1 309 66 66 GLY CA C 46.689 0.041 1 310 66 66 GLY N N 110.295 0.010 1 311 67 67 GLU H H 7.583 0.002 1 312 67 67 GLU C C 176.949 0.005 1 313 67 67 GLU CA C 58.370 0.053 1 314 67 67 GLU CB C 31.921 0.046 1 315 67 67 GLU N N 115.386 0.031 1 316 68 68 ILE H H 9.845 0.003 1 317 68 68 ILE C C 175.540 0.009 1 318 68 68 ILE CA C 60.779 0.013 1 319 68 68 ILE CB C 42.077 0.027 1 320 68 68 ILE N N 129.413 0.022 1 321 69 69 THR H H 9.499 0.005 1 322 69 69 THR C C 175.396 0.026 1 323 69 69 THR CA C 62.507 0.060 1 324 69 69 THR CB C 70.292 0.024 1 325 69 69 THR N N 123.522 0.014 1 326 70 70 VAL H H 9.596 0.006 1 327 70 70 VAL C C 173.855 0.007 1 328 70 70 VAL CA C 62.286 0.003 1 329 70 70 VAL CB C 33.750 0.036 1 330 70 70 VAL N N 133.487 0.067 1 331 71 71 THR H H 8.690 0.001 1 332 71 71 THR C C 174.584 0.005 1 333 71 71 THR CA C 62.233 0.009 1 334 71 71 THR CB C 69.276 0.042 1 335 71 71 THR N N 122.917 0.028 1 336 72 72 PHE H H 9.170 0.004 1 337 72 72 PHE C C 174.162 0.001 1 338 72 72 PHE CA C 59.606 0.045 1 339 72 72 PHE CB C 41.453 0.053 1 340 72 72 PHE N N 125.043 0.038 1 341 73 73 ASN H H 8.442 0.002 1 342 73 73 ASN C C 175.063 0.002 1 343 73 73 ASN CA C 52.153 0.055 1 344 73 73 ASN CB C 37.914 0.066 1 345 73 73 ASN N N 117.898 0.031 1 346 74 74 ALA H H 9.168 0.005 1 347 74 74 ALA C C 179.361 0.003 1 348 74 74 ALA CA C 56.401 0.102 1 349 74 74 ALA CB C 19.960 0.082 1 350 74 74 ALA N N 128.484 0.036 1 351 75 75 THR H H 7.933 0.002 1 352 75 75 THR C C 175.380 0.007 1 353 75 75 THR CA C 66.402 0.018 1 354 75 75 THR CB C 68.978 0.043 1 355 75 75 THR N N 112.793 0.015 1 356 76 76 ASN H H 7.201 0.002 1 357 76 76 ASN C C 176.935 0.013 1 358 76 76 ASN CA C 53.613 0.081 1 359 76 76 ASN CB C 38.999 0.052 1 360 76 76 ASN N N 115.925 0.027 1 361 77 77 VAL H H 8.328 0.003 1 362 77 77 VAL C C 175.133 0.008 1 363 77 77 VAL CA C 67.175 0.015 1 364 77 77 VAL CB C 33.010 0.042 1 365 77 77 VAL N N 120.589 0.019 1 366 78 78 GLY H H 7.606 0.003 1 367 78 78 GLY C C 172.414 0.007 1 368 78 78 GLY CA C 44.875 0.034 1 369 78 78 GLY N N 104.027 0.025 1 370 79 79 ASN H H 8.091 0.005 1 371 79 79 ASN C C 173.693 0.004 1 372 79 79 ASN CA C 55.363 0.042 1 373 79 79 ASN CB C 38.000 0.157 1 374 79 79 ASN N N 115.587 0.015 1 375 80 80 ILE H H 7.504 0.002 1 376 80 80 ILE C C 172.746 0.000 1 377 80 80 ILE CA C 58.883 0.000 1 378 80 80 ILE CB C 38.804 0.000 1 379 80 80 ILE N N 111.602 0.027 1 380 81 81 PRO C C 177.322 0.000 1 381 81 81 PRO CA C 63.082 0.047 1 382 81 81 PRO CB C 32.074 0.070 1 383 82 82 ALA H H 8.590 0.005 1 384 82 82 ALA C C 177.640 0.024 1 385 82 82 ALA CA C 53.728 0.061 1 386 82 82 ALA CB C 18.661 0.076 1 387 82 82 ALA N N 125.769 0.008 1 388 83 83 ASP H H 9.246 0.008 1 389 83 83 ASP C C 174.767 0.002 1 390 83 83 ASP CA C 55.491 0.039 1 391 83 83 ASP CB C 39.399 0.067 1 392 83 83 ASP N N 117.586 0.013 1 393 84 84 SER H H 7.821 0.007 1 394 84 84 SER C C 175.002 0.025 1 395 84 84 SER CA C 61.725 0.052 1 396 84 84 SER CB C 67.225 0.057 1 397 84 84 SER N N 114.581 0.013 1 398 85 85 THR H H 8.400 0.003 1 399 85 85 THR C C 176.480 0.009 1 400 85 85 THR CA C 59.252 0.029 1 401 85 85 THR CB C 73.787 0.039 1 402 85 85 THR N N 111.514 0.017 1 403 86 86 LEU H H 8.509 0.002 1 404 86 86 LEU C C 175.048 0.011 1 405 86 86 LEU CA C 54.560 0.029 1 406 86 86 LEU CB C 48.177 0.055 1 407 86 86 LEU N N 118.073 0.045 1 408 87 87 VAL H H 8.488 0.001 1 409 87 87 VAL C C 176.550 0.002 1 410 87 87 VAL CA C 61.395 0.062 1 411 87 87 VAL CB C 36.195 0.036 1 412 87 87 VAL N N 121.262 0.043 1 413 88 88 PHE H H 10.045 0.003 1 414 88 88 PHE C C 175.920 0.013 1 415 88 88 PHE CA C 56.384 0.071 1 416 88 88 PHE CB C 42.213 0.005 1 417 88 88 PHE N N 128.405 0.016 1 418 89 89 THR H H 8.622 0.002 1 419 89 89 THR C C 172.737 0.000 1 420 89 89 THR CA C 61.008 0.000 1 421 89 89 THR CB C 70.937 0.000 1 422 89 89 THR N N 122.930 0.043 1 423 90 90 PRO C C 176.980 0.006 1 424 90 90 PRO CA C 62.397 0.012 1 425 90 90 PRO CB C 30.560 0.071 1 426 91 91 TYR H H 9.224 0.001 1 427 91 91 TYR C C 173.346 0.006 1 428 91 91 TYR CA C 57.699 0.029 1 429 91 91 TYR CB C 43.621 0.048 1 430 91 91 TYR N N 122.797 0.028 1 431 92 92 VAL H H 9.137 0.002 1 432 92 92 VAL C C 176.127 0.005 1 433 92 92 VAL CA C 61.659 0.054 1 434 92 92 VAL CB C 33.023 0.043 1 435 92 92 VAL N N 120.678 0.013 1 436 93 93 GLN H H 8.819 0.002 1 437 93 93 GLN C C 175.026 0.003 1 438 93 93 GLN CA C 56.080 0.042 1 439 93 93 GLN CB C 29.482 0.078 1 440 93 93 GLN N N 126.834 0.025 1 441 94 94 ASN H H 8.647 0.004 1 442 94 94 ASN C C 174.933 0.025 1 443 94 94 ASN CA C 52.715 0.015 1 444 94 94 ASN CB C 41.112 0.056 1 445 94 94 ASN N N 121.588 0.020 1 446 95 95 ALA H H 8.550 0.005 1 447 95 95 ALA C C 177.614 0.009 1 448 95 95 ALA CA C 54.280 0.033 1 449 95 95 ALA CB C 18.979 0.095 1 450 95 95 ALA N N 124.794 0.032 1 451 96 96 ALA H H 7.988 0.001 1 452 96 96 ALA C C 177.330 0.009 1 453 96 96 ALA CA C 52.349 0.052 1 454 96 96 ALA CB C 19.727 0.082 1 455 96 96 ALA N N 120.113 0.028 1 456 97 97 GLY H H 7.714 0.004 1 457 97 97 GLY C C 172.361 0.004 1 458 97 97 GLY CA C 45.797 0.052 1 459 97 97 GLY N N 107.623 0.021 1 460 98 98 ALA H H 8.168 0.006 1 461 98 98 ALA C C 175.147 0.000 1 462 98 98 ALA CA C 50.729 0.000 1 463 98 98 ALA CB C 18.173 0.000 1 464 98 98 ALA N N 124.989 0.014 1 465 99 99 PRO C C 176.554 0.008 1 466 99 99 PRO CA C 63.823 0.009 1 467 99 99 PRO CB C 33.026 0.060 1 468 100 100 THR H H 8.519 0.002 1 469 100 100 THR C C 173.393 0.009 1 470 100 100 THR CA C 62.356 0.090 1 471 100 100 THR CB C 71.081 0.044 1 472 100 100 THR N N 119.297 0.021 1 473 101 101 GLN H H 9.602 0.005 1 474 101 101 GLN C C 177.300 0.009 1 475 101 101 GLN CA C 59.718 0.060 1 476 101 101 GLN CB C 27.116 0.083 1 477 101 101 GLN N N 133.595 0.052 1 478 102 102 LEU H H 7.411 0.002 1 479 102 102 LEU C C 178.218 0.004 1 480 102 102 LEU CA C 59.683 0.058 1 481 102 102 LEU CB C 42.964 0.054 1 482 102 102 LEU N N 124.610 0.022 1 483 103 103 GLY H H 7.871 0.001 1 484 103 103 GLY C C 174.185 0.003 1 485 103 103 GLY CA C 47.956 0.050 1 486 103 103 GLY N N 101.562 0.016 1 487 104 104 ALA H H 6.949 0.002 1 488 104 104 ALA C C 179.000 0.004 1 489 104 104 ALA CA C 52.824 0.045 1 490 104 104 ALA CB C 19.361 0.080 1 491 104 104 ALA N N 121.005 0.025 1 492 105 105 SER H H 7.593 0.001 1 493 105 105 SER C C 175.315 0.001 1 494 105 105 SER CA C 62.601 0.053 1 495 105 105 SER CB C 61.731 0.020 1 496 105 105 SER N N 116.008 0.007 1 497 106 106 TYR H H 6.261 0.005 1 498 106 106 TYR C C 179.375 0.001 1 499 106 106 TYR CA C 60.605 0.014 1 500 106 106 TYR CB C 37.435 0.055 1 501 106 106 TYR N N 122.555 0.021 1 502 107 107 ALA H H 8.615 0.008 1 503 107 107 ALA C C 178.955 0.004 1 504 107 107 ALA CA C 54.662 0.063 1 505 107 107 ALA CB C 18.546 0.056 1 506 107 107 ALA N N 122.266 0.028 1 507 108 108 ALA H H 7.143 0.002 1 508 108 108 ALA C C 177.671 0.007 1 509 108 108 ALA CA C 52.695 0.021 1 510 108 108 ALA CB C 19.917 0.052 1 511 108 108 ALA N N 116.622 0.022 1 512 109 109 GLY H H 7.770 0.002 1 513 109 109 GLY C C 174.641 0.016 1 514 109 109 GLY CA C 46.903 0.036 1 515 109 109 GLY N N 107.749 0.032 1 516 110 110 VAL H H 7.553 0.004 1 517 110 110 VAL C C 174.536 0.004 1 518 110 110 VAL CA C 61.678 0.046 1 519 110 110 VAL CB C 34.232 0.032 1 520 110 110 VAL N N 117.567 0.007 1 521 111 111 THR H H 8.114 0.008 1 522 111 111 THR C C 172.708 0.007 1 523 111 111 THR CA C 59.968 0.054 1 524 111 111 THR CB C 71.661 0.047 1 525 111 111 THR N N 117.025 0.007 1 526 112 112 GLY H H 7.955 0.003 1 527 112 112 GLY C C 172.197 0.011 1 528 112 112 GLY CA C 45.337 0.043 1 529 112 112 GLY N N 108.642 0.019 1 530 113 113 SER H H 8.289 0.007 1 531 113 113 SER C C 173.241 0.007 1 532 113 113 SER CA C 58.891 0.019 1 533 113 113 SER CB C 64.483 0.055 1 534 113 113 SER N N 115.977 0.008 1 535 114 114 ILE H H 8.384 0.005 1 536 114 114 ILE C C 175.811 0.008 1 537 114 114 ILE CA C 60.540 0.025 1 538 114 114 ILE CB C 39.466 0.017 1 539 114 114 ILE N N 122.249 0.045 1 540 115 115 ASP H H 8.970 0.002 1 541 115 115 ASP C C 173.657 0.006 1 542 115 115 ASP CA C 52.445 0.034 1 543 115 115 ASP CB C 45.215 0.053 1 544 115 115 ASP N N 127.799 0.034 1 545 116 116 TRP H H 8.993 0.002 1 546 116 116 TRP C C 177.567 0.015 1 547 116 116 TRP CA C 57.307 0.035 1 548 116 116 TRP CB C 32.515 0.072 1 549 116 116 TRP N N 119.064 0.028 1 550 117 117 GLY H H 9.146 0.001 1 551 117 117 GLY C C 172.410 0.009 1 552 117 117 GLY CA C 44.332 0.048 1 553 117 117 GLY N N 111.721 0.016 1 554 118 118 CYS H H 8.000 0.001 1 555 118 118 CYS C C 171.041 0.013 1 556 118 118 CYS CA C 54.554 0.033 1 557 118 118 CYS CB C 47.290 0.068 1 558 118 118 CYS N N 119.751 0.044 1 559 119 119 ALA H H 9.279 0.002 1 560 119 119 ALA C C 175.082 0.016 1 561 119 119 ALA CA C 52.373 0.041 1 562 119 119 ALA CB C 24.027 0.071 1 563 119 119 ALA N N 131.545 0.031 1 564 120 120 SER H H 8.171 0.004 1 565 120 120 SER C C 173.611 0.001 1 566 120 120 SER CA C 57.500 0.010 1 567 120 120 SER CB C 65.192 0.054 1 568 120 120 SER N N 121.202 0.021 1 569 121 121 GLU H H 8.267 0.002 1 570 121 121 GLU C C 176.267 0.002 1 571 121 121 GLU CA C 59.025 0.033 1 572 121 121 GLU CB C 29.253 0.054 1 573 121 121 GLU N N 120.995 0.012 1 574 122 122 SER H H 8.283 0.005 1 575 122 122 SER C C 172.123 0.007 1 576 122 122 SER CA C 56.812 0.054 1 577 122 122 SER CB C 66.199 0.042 1 578 122 122 SER N N 113.701 0.024 1 579 123 123 ASN H H 8.604 0.003 1 580 123 123 ASN C C 176.861 0.012 1 581 123 123 ASN CA C 51.343 0.017 1 582 123 123 ASN CB C 42.850 0.067 1 583 123 123 ASN N N 121.644 0.043 1 584 124 124 ALA H H 8.899 0.003 1 585 124 124 ALA C C 180.491 0.007 1 586 124 124 ALA CA C 56.395 0.070 1 587 124 124 ALA CB C 19.636 0.055 1 588 124 124 ALA N N 128.779 0.032 1 589 125 125 VAL H H 10.092 0.000 1 590 125 125 VAL C C 180.851 0.017 1 591 125 125 VAL CA C 67.250 0.019 1 592 125 125 VAL CB C 31.631 0.034 1 593 125 125 VAL N N 120.231 0.009 1 594 126 126 SER H H 9.497 0.006 1 595 126 126 SER C C 173.769 0.007 1 596 126 126 SER CA C 63.028 0.087 1 597 126 126 SER CB C 64.419 0.100 1 598 126 126 SER N N 114.190 0.013 1 599 127 127 SER H H 7.340 0.002 1 600 127 127 SER C C 174.341 0.006 1 601 127 127 SER CA C 59.575 0.046 1 602 127 127 SER CB C 64.290 0.057 1 603 127 127 SER N N 110.519 0.027 1 604 128 128 GLY H H 7.309 0.002 1 605 128 128 GLY C C 172.456 0.000 1 606 128 128 GLY CA C 45.659 0.000 1 607 128 128 GLY N N 109.184 0.019 1 608 129 129 PRO C C 176.775 0.004 1 609 129 129 PRO CA C 65.391 0.021 1 610 129 129 PRO CB C 32.041 0.063 1 611 130 130 ASP H H 8.566 0.002 1 612 130 130 ASP C C 175.779 0.004 1 613 130 130 ASP CA C 55.040 0.069 1 614 130 130 ASP CB C 40.731 0.046 1 615 130 130 ASP N N 115.937 0.016 1 616 131 131 ARG H H 7.775 0.004 1 617 131 131 ARG C C 175.315 0.002 1 618 131 131 ARG CA C 57.420 0.018 1 619 131 131 ARG CB C 33.211 0.062 1 620 131 131 ARG N N 118.732 0.040 1 621 132 132 ASN H H 8.729 0.001 1 622 132 132 ASN C C 172.224 0.006 1 623 132 132 ASN CA C 54.659 0.048 1 624 132 132 ASN CB C 37.355 0.053 1 625 132 132 ASN N N 114.000 0.018 1 626 133 133 MET H H 8.226 0.001 1 627 133 133 MET C C 171.847 0.000 1 628 133 133 MET CA C 53.538 0.000 1 629 133 133 MET CB C 34.819 0.000 1 630 133 133 MET N N 113.925 0.025 1 631 134 134 PRO C C 176.753 0.006 1 632 134 134 PRO CA C 63.011 0.050 1 633 134 134 PRO CB C 32.995 0.072 1 634 135 135 ALA H H 8.686 0.002 1 635 135 135 ALA C C 178.987 0.007 1 636 135 135 ALA CA C 52.459 0.029 1 637 135 135 ALA CB C 20.017 0.064 1 638 135 135 ALA N N 125.958 0.010 1 639 136 136 LEU H H 8.550 0.004 1 640 136 136 LEU C C 177.843 0.010 1 641 136 136 LEU CA C 56.352 0.049 1 642 136 136 LEU CB C 40.801 0.058 1 643 136 136 LEU N N 119.929 0.028 1 644 137 137 THR H H 7.392 0.001 1 645 137 137 THR C C 171.339 0.010 1 646 137 137 THR CA C 61.070 0.051 1 647 137 137 THR CB C 71.092 0.043 1 648 137 137 THR N N 115.787 0.011 1 649 138 138 ALA H H 7.886 0.004 1 650 138 138 ALA C C 179.746 0.005 1 651 138 138 ALA CA C 52.717 0.029 1 652 138 138 ALA CB C 19.636 0.059 1 653 138 138 ALA N N 123.008 0.036 1 654 139 139 GLY H H 6.748 0.002 1 655 139 139 GLY C C 172.996 0.006 1 656 139 139 GLY CA C 44.329 0.054 1 657 139 139 GLY N N 107.220 0.015 1 658 140 140 THR H H 7.986 0.005 1 659 140 140 THR C C 175.359 0.001 1 660 140 140 THR CA C 61.438 0.085 1 661 140 140 THR CB C 71.513 0.062 1 662 140 140 THR N N 105.452 0.014 1 663 141 141 LEU H H 8.966 0.007 1 664 141 141 LEU C C 174.475 0.000 1 665 141 141 LEU CA C 54.185 0.000 1 666 141 141 LEU CB C 43.604 0.000 1 667 141 141 LEU N N 126.324 0.052 1 668 142 142 PRO C C 177.108 0.000 1 669 142 142 PRO CA C 64.110 0.013 1 670 142 142 PRO CB C 32.324 0.071 1 671 143 143 ALA H H 9.154 0.005 1 672 143 143 ALA C C 179.863 0.007 1 673 143 143 ALA CA C 55.826 0.071 1 674 143 143 ALA CB C 19.159 0.062 1 675 143 143 ALA N N 128.371 0.023 1 676 144 144 ARG H H 8.083 0.003 1 677 144 144 ARG C C 176.370 0.007 1 678 144 144 ARG CA C 57.536 0.066 1 679 144 144 ARG CB C 28.943 0.066 1 680 144 144 ARG N N 111.584 0.042 1 681 145 145 PHE H H 7.516 0.001 1 682 145 145 PHE C C 173.354 0.009 1 683 145 145 PHE CA C 55.560 0.047 1 684 145 145 PHE CB C 40.231 0.049 1 685 145 145 PHE N N 117.567 0.039 1 686 146 146 ALA H H 7.689 0.006 1 687 146 146 ALA C C 174.408 0.000 1 688 146 146 ALA CA C 49.939 0.000 1 689 146 146 ALA CB C 19.998 0.000 1 690 146 146 ALA N N 122.595 0.029 1 691 147 147 PRO C C 177.294 0.003 1 692 147 147 PRO CA C 63.131 0.023 1 693 147 147 PRO CB C 33.258 0.071 1 694 148 148 SER H H 8.722 0.005 1 695 148 148 SER C C 175.974 0.000 1 696 148 148 SER CA C 63.344 0.126 1 697 148 148 SER N N 118.941 0.015 1 698 149 149 GLU H H 9.723 0.001 1 699 149 149 GLU C C 175.108 0.005 1 700 149 149 GLU CA C 58.474 0.060 1 701 149 149 GLU CB C 28.281 0.082 1 702 149 149 GLU N N 119.388 0.022 1 703 150 150 CYS H H 8.071 0.002 1 704 150 150 CYS C C 172.485 0.000 1 705 150 150 CYS CA C 54.609 0.031 1 706 150 150 CYS CB C 48.227 0.062 1 707 150 150 CYS N N 116.832 0.016 1 708 151 151 ARG H H 6.850 0.001 1 709 151 151 ARG C C 180.219 0.000 1 710 151 151 ARG CA C 57.527 0.000 1 711 151 151 ARG CB C 31.385 0.000 1 712 151 151 ARG N N 123.295 0.028 1 stop_ save_