data_26916 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Recombinant Human Granulocyte-Colony Stimulating Factor variant C3 (G-CSFC3) backbone assignments ; _BMRB_accession_number 26916 _BMRB_flat_file_name bmr26916.str _Entry_type original _Submission_date 2016-10-08 _Accession_date 2016-10-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Chemical shift assignments for backbone amide nitrogen and proton atoms as well as alpha, beta and carbonyl carbon atoms of G-CSFC3 at pH 4 and pH 7. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Thomas Rhys D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 324 "13C chemical shifts" 909 "15N chemical shifts" 324 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-28 original BMRB . stop_ _Original_release_date 2016-10-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Elucidating a role for protein dynamics in the aggregation of a Granulocyte-Colony Stimulating Factor variant ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Thomas Rhys . . 2 Kalverda Arnout . . 3 Stewart Katie . . 4 Buchanan Andrew . . 5 Radford Sheena . . 6 Brockwell David . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name G-CSFC3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label G-CSFC3 $G-CSFC3 stop_ _System_molecular_weight 18721 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_G-CSFC3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common G-CSFC3 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function Cytokine stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MTPLGPASSLPQSFLLKGLE QVRKIQGDGAALQEKLCATY KLCHPEELVLLGHSLGIPRA PLSSCPSQALRLAGCLSQLH SGLLLYQGLLQALEGISPEL GPTLDTLQLDVADFATTIWQ QMEELGMAPALQPTQGAMPA FASAFQRRAGGVLVASHLQS FLEVSYRVLRHLAQP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 THR 3 3 PRO 4 4 LEU 5 5 GLY 6 6 PRO 7 7 ALA 8 8 SER 9 9 SER 10 10 LEU 11 11 PRO 12 12 GLN 13 13 SER 14 14 PHE 15 15 LEU 16 16 LEU 17 17 LYS 18 18 GLY 19 19 LEU 20 20 GLU 21 21 GLN 22 22 VAL 23 23 ARG 24 24 LYS 25 25 ILE 26 26 GLN 27 27 GLY 28 28 ASP 29 29 GLY 30 30 ALA 31 31 ALA 32 32 LEU 33 33 GLN 34 34 GLU 35 35 LYS 36 36 LEU 37 37 CYS 38 38 ALA 39 39 THR 40 40 TYR 41 41 LYS 42 42 LEU 43 43 CYS 44 44 HIS 45 45 PRO 46 46 GLU 47 47 GLU 48 48 LEU 49 49 VAL 50 50 LEU 51 51 LEU 52 52 GLY 53 53 HIS 54 54 SER 55 55 LEU 56 56 GLY 57 57 ILE 58 58 PRO 59 59 ARG 60 60 ALA 61 61 PRO 62 62 LEU 63 63 SER 64 64 SER 65 65 CYS 66 66 PRO 67 67 SER 68 68 GLN 69 69 ALA 70 70 LEU 71 71 ARG 72 72 LEU 73 73 ALA 74 74 GLY 75 75 CYS 76 76 LEU 77 77 SER 78 78 GLN 79 79 LEU 80 80 HIS 81 81 SER 82 82 GLY 83 83 LEU 84 84 LEU 85 85 LEU 86 86 TYR 87 87 GLN 88 88 GLY 89 89 LEU 90 90 LEU 91 91 GLN 92 92 ALA 93 93 LEU 94 94 GLU 95 95 GLY 96 96 ILE 97 97 SER 98 98 PRO 99 99 GLU 100 100 LEU 101 101 GLY 102 102 PRO 103 103 THR 104 104 LEU 105 105 ASP 106 106 THR 107 107 LEU 108 108 GLN 109 109 LEU 110 110 ASP 111 111 VAL 112 112 ALA 113 113 ASP 114 114 PHE 115 115 ALA 116 116 THR 117 117 THR 118 118 ILE 119 119 TRP 120 120 GLN 121 121 GLN 122 122 MET 123 123 GLU 124 124 GLU 125 125 LEU 126 126 GLY 127 127 MET 128 128 ALA 129 129 PRO 130 130 ALA 131 131 LEU 132 132 GLN 133 133 PRO 134 134 THR 135 135 GLN 136 136 GLY 137 137 ALA 138 138 MET 139 139 PRO 140 140 ALA 141 141 PHE 142 142 ALA 143 143 SER 144 144 ALA 145 145 PHE 146 146 GLN 147 147 ARG 148 148 ARG 149 149 ALA 150 150 GLY 151 151 GLY 152 152 VAL 153 153 LEU 154 154 VAL 155 155 ALA 156 156 SER 157 157 HIS 158 158 LEU 159 159 GLN 160 160 SER 161 161 PHE 162 162 LEU 163 163 GLU 164 164 VAL 165 165 SER 166 166 TYR 167 167 ARG 168 168 VAL 169 169 LEU 170 170 ARG 171 171 HIS 172 172 LEU 173 173 ALA 174 174 GLN 175 175 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $G-CSFC3 enterobacteria 562 Bacteria . Escherichia coli 'BL21(DE3) pLysS' 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 $G-CSFC3 'recombinant technology' . Escherichia coli 'BL21(DE3) pLysS' pET23a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_G-CSFC3_pH4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $G-CSFC3 0.47 mM '[U-13C; U-15N]' 'sodium phosphate' 18 mM 'natural abundance' 'sodium acetate' 18 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_G-CSFC3_pH7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $G-CSFC3 0.46 mM '[U-13C; U-15N]' 'sodium phosphate' 18 mM 'natural abundance' 'sodium acetate' 18 mM 'natural abundance' 'sodium azide' 0.018 '% w/v' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $G-CSFC3_pH4 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $G-CSFC3_pH4 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $G-CSFC3_pH4 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $G-CSFC3_pH4 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $G-CSFC3_pH4 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $G-CSFC3_pH4 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $G-CSFC3_pH7 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $G-CSFC3_pH7 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $G-CSFC3_pH7 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $G-CSFC3_pH7 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $G-CSFC3_pH7 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $G-CSFC3_pH7 save_ ####################### # Sample conditions # ####################### save_G-CSFC3_pH4_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 39 . mM pH 4 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_G-CSFC3_pH7_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 68 . mM pH 7 . 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_G-CSFC3_pH4_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $G-CSFC3_pH4 stop_ _Sample_conditions_label $G-CSFC3_pH4_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name G-CSFC3 _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 1 MET C C 171.809 0.2 1 2 1 1 MET CA C 54.6 0.2 1 3 1 1 MET CB C 33.111 0.2 1 4 2 2 THR H H 8.702 0.03 1 5 2 2 THR C C 173.608 0.2 1 6 2 2 THR CA C 59.635 0.2 1 7 2 2 THR N N 121.184 0.25 1 8 3 3 PRO C C 176.242 0.2 1 9 3 3 PRO CA C 62.68 0.2 1 10 3 3 PRO CB C 32.574 0.2 1 11 4 4 LEU H H 8.354 0.03 1 12 4 4 LEU C C 177.211 0.2 1 13 4 4 LEU CA C 54.726 0.2 1 14 4 4 LEU CB C 43.065 0.2 1 15 4 4 LEU N N 122.625 0.25 1 16 5 5 GLY H H 8.233 0.03 1 17 5 5 GLY CA C 44.25 0.2 1 18 5 5 GLY N N 109.729 0.25 1 19 6 6 PRO C C 176.617 0.2 1 20 6 6 PRO CA C 62.853 0.2 1 21 6 6 PRO CB C 32.565 0.2 1 22 7 7 ALA H H 8.461 0.03 1 23 7 7 ALA C C 177.273 0.2 1 24 7 7 ALA CA C 52.147 0.2 1 25 7 7 ALA CB C 19.619 0.2 1 26 7 7 ALA N N 123.682 0.25 1 27 8 8 SER H H 8.216 0.03 1 28 8 8 SER C C 173.597 0.2 1 29 8 8 SER CA C 58.042 0.2 1 30 8 8 SER CB C 64.594 0.2 1 31 8 8 SER N N 114.327 0.25 1 32 9 9 SER H H 8.08 0.03 1 33 9 9 SER C C 173.207 0.2 1 34 9 9 SER CA C 57.454 0.2 1 35 9 9 SER N N 116.535 0.25 1 36 10 10 LEU H H 8.367 0.03 1 37 10 10 LEU C C 173.791 0.2 1 38 10 10 LEU CA C 51.832 0.2 1 39 10 10 LEU N N 122.622 0.25 1 40 11 11 PRO C C 177.568 0.2 1 41 11 11 PRO CA C 62.269 0.2 1 42 11 11 PRO CB C 32.506 0.2 1 43 12 12 GLN H H 9.005 0.03 1 44 12 12 GLN C C 177.528 0.2 1 45 12 12 GLN CA C 58.602 0.2 1 46 12 12 GLN CB C 28.882 0.2 1 47 12 12 GLN N N 124.413 0.25 1 48 13 13 SER H H 8.691 0.03 1 49 13 13 SER C C 176.588 0.2 1 50 13 13 SER CA C 60.409 0.2 1 51 13 13 SER CB C 61.972 0.2 1 52 13 13 SER N N 112.49 0.25 1 53 14 14 PHE H H 7.216 0.03 1 54 14 14 PHE C C 176.134 0.2 1 55 14 14 PHE CA C 59.693 0.2 1 56 14 14 PHE CB C 39.742 0.2 1 57 14 14 PHE N N 122.477 0.25 1 58 15 15 LEU H H 7.516 0.03 1 59 15 15 LEU C C 177.81 0.2 1 60 15 15 LEU CA C 57.407 0.2 1 61 15 15 LEU CB C 42.355 0.2 1 62 15 15 LEU N N 120.015 0.25 1 63 16 16 LEU H H 8.354 0.03 1 64 16 16 LEU C C 179.838 0.2 1 65 16 16 LEU CA C 57.502 0.2 1 66 16 16 LEU CB C 41.801 0.2 1 67 16 16 LEU N N 116.926 0.25 1 68 17 17 LYS H H 7.633 0.03 1 69 17 17 LYS C C 178.502 0.2 1 70 17 17 LYS CA C 58.427 0.2 1 71 17 17 LYS CB C 32.572 0.2 1 72 17 17 LYS N N 120.24 0.25 1 73 18 18 GLY H H 8.63 0.03 1 74 18 18 GLY C C 174.378 0.2 1 75 18 18 GLY CA C 46.656 0.2 1 76 18 18 GLY N N 107.922 0.25 1 77 19 19 LEU H H 8.207 0.03 1 78 19 19 LEU C C 178.899 0.2 1 79 19 19 LEU CA C 58.142 0.2 1 80 19 19 LEU CB C 41.977 0.2 1 81 19 19 LEU N N 121.121 0.25 1 82 20 20 GLU H H 7.489 0.03 1 83 20 20 GLU C C 178.995 0.2 1 84 20 20 GLU CA C 58.519 0.2 1 85 20 20 GLU CB C 28.866 0.2 1 86 20 20 GLU N N 118.642 0.25 1 87 21 21 GLN H H 8.458 0.03 1 88 21 21 GLN C C 178.481 0.2 1 89 21 21 GLN CA C 58.838 0.2 1 90 21 21 GLN CB C 28.433 0.2 1 91 21 21 GLN N N 121.087 0.25 1 92 22 22 VAL H H 8.426 0.03 1 93 22 22 VAL C C 177.158 0.2 1 94 22 22 VAL CA C 66.935 0.2 1 95 22 22 VAL CB C 31.839 0.2 1 96 22 22 VAL N N 120.081 0.25 1 97 23 23 ARG H H 7.625 0.03 1 98 23 23 ARG C C 179.415 0.2 1 99 23 23 ARG CA C 58.366 0.2 1 100 23 23 ARG CB C 30.442 0.2 1 101 23 23 ARG N N 118.291 0.25 1 102 24 24 LYS H H 7.984 0.03 1 103 24 24 LYS C C 178.663 0.2 1 104 24 24 LYS CA C 58.772 0.2 1 105 24 24 LYS CB C 33.052 0.2 1 106 24 24 LYS N N 122.105 0.25 1 107 25 25 ILE H H 8.244 0.03 1 108 25 25 ILE C C 178.385 0.2 1 109 25 25 ILE CA C 64.623 0.2 1 110 25 25 ILE CB C 38.356 0.2 1 111 25 25 ILE N N 119.432 0.25 1 112 26 26 GLN H H 8.861 0.03 1 113 26 26 GLN C C 179.921 0.2 1 114 26 26 GLN CA C 59.003 0.2 1 115 26 26 GLN CB C 29.32 0.2 1 116 26 26 GLN N N 119.864 0.25 1 117 27 27 GLY H H 8.118 0.03 1 118 27 27 GLY C C 176.592 0.2 1 119 27 27 GLY CA C 46.849 0.2 1 120 27 27 GLY N N 107.817 0.25 1 121 28 28 ASP H H 8.485 0.03 1 122 28 28 ASP C C 178.962 0.2 1 123 28 28 ASP CA C 55.49 0.2 1 124 28 28 ASP CB C 39.842 0.2 1 125 28 28 ASP N N 124.326 0.25 1 126 29 29 GLY H H 9.28 0.03 1 127 29 29 GLY C C 174.729 0.2 1 128 29 29 GLY CA C 46.382 0.2 1 129 29 29 GLY N N 109.533 0.25 1 130 30 30 ALA H H 8.288 0.03 1 131 30 30 ALA C C 180.026 0.2 1 132 30 30 ALA CA C 54.391 0.2 1 133 30 30 ALA CB C 18.125 0.2 1 134 30 30 ALA N N 125.679 0.25 1 135 31 31 ALA H H 7.949 0.03 1 136 31 31 ALA C C 180.035 0.2 1 137 31 31 ALA CA C 54.574 0.2 1 138 31 31 ALA CB C 18.215 0.2 1 139 31 31 ALA N N 121.433 0.25 1 140 32 32 LEU H H 7.59 0.03 1 141 32 32 LEU C C 177.448 0.2 1 142 32 32 LEU CA C 57.874 0.2 1 143 32 32 LEU CB C 42.054 0.2 1 144 32 32 LEU N N 118.763 0.25 1 145 33 33 GLN H H 8.442 0.03 1 146 33 33 GLN C C 178.812 0.2 1 147 33 33 GLN CA C 59.637 0.2 1 148 33 33 GLN CB C 29.719 0.2 1 149 33 33 GLN N N 117.974 0.25 1 150 34 34 GLU H H 8.721 0.03 1 151 34 34 GLU C C 178.623 0.2 1 152 34 34 GLU CA C 58.889 0.2 1 153 34 34 GLU CB C 28.509 0.2 1 154 34 34 GLU N N 120.428 0.25 1 155 35 35 LYS H H 8.126 0.03 1 156 35 35 LYS C C 179.923 0.2 1 157 35 35 LYS CA C 58.843 0.2 1 158 35 35 LYS CB C 33.347 0.2 1 159 35 35 LYS N N 120.577 0.25 1 160 36 36 LEU H H 8.566 0.03 1 161 36 36 LEU C C 178.58 0.2 1 162 36 36 LEU CA C 58.611 0.2 1 163 36 36 LEU CB C 42.116 0.2 1 164 36 36 LEU N N 121.899 0.25 1 165 37 37 CYS H H 7.959 0.03 1 166 37 37 CYS C C 176.544 0.2 1 167 37 37 CYS CA C 56.681 0.2 1 168 37 37 CYS CB C 38.452 0.2 1 169 37 37 CYS N N 118.139 0.25 1 170 38 38 ALA H H 8.84 0.03 1 171 38 38 ALA C C 179.047 0.2 1 172 38 38 ALA CA C 54.821 0.2 1 173 38 38 ALA CB C 19.334 0.2 1 174 38 38 ALA N N 123.402 0.25 1 175 39 39 THR H H 8.191 0.03 1 176 39 39 THR C C 174.878 0.2 1 177 39 39 THR CA C 65.1 0.2 1 178 39 39 THR CB C 70.405 0.2 1 179 39 39 THR N N 110.433 0.25 1 180 40 40 TYR H H 7.145 0.03 1 181 40 40 TYR C C 174.288 0.2 1 182 40 40 TYR CA C 56.524 0.2 1 183 40 40 TYR CB C 40.135 0.2 1 184 40 40 TYR N N 115.813 0.25 1 185 41 41 LYS H H 7.7 0.03 1 186 41 41 LYS C C 175.799 0.2 1 187 41 41 LYS CA C 57.141 0.2 1 188 41 41 LYS CB C 29.135 0.2 1 189 41 41 LYS N N 114.505 0.25 1 190 42 42 LEU H H 7.012 0.03 1 191 42 42 LEU C C 174.978 0.2 1 192 42 42 LEU CA C 53.032 0.2 1 193 42 42 LEU CB C 42.655 0.2 1 194 42 42 LEU N N 121.557 0.25 1 195 43 43 CYS H H 8.055 0.03 1 196 43 43 CYS C C 173.202 0.2 1 197 43 43 CYS CA C 56.59 0.2 1 198 43 43 CYS CB C 48.262 0.2 1 199 43 43 CYS N N 118.55 0.25 1 200 44 44 HIS H H 8.479 0.03 1 201 44 44 HIS C C 173.128 0.2 1 202 44 44 HIS CA C 51.942 0.2 1 203 44 44 HIS N N 116.955 0.25 1 204 45 45 PRO C C 177.532 0.2 1 205 45 45 PRO CA C 65.015 0.2 1 206 45 45 PRO CB C 32.318 0.2 1 207 46 46 GLU H H 10.044 0.03 1 208 46 46 GLU C C 177.56 0.2 1 209 46 46 GLU CA C 58.69 0.2 1 210 46 46 GLU CB C 28.102 0.2 1 211 46 46 GLU N N 118.613 0.25 1 212 47 47 GLU H H 7.682 0.03 1 213 47 47 GLU C C 176.758 0.2 1 214 47 47 GLU CA C 56.655 0.2 1 215 47 47 GLU CB C 30.081 0.2 1 216 47 47 GLU N N 117.589 0.25 1 217 48 48 LEU H H 7.713 0.03 1 218 48 48 LEU C C 176.577 0.2 1 219 48 48 LEU CA C 53.743 0.2 1 220 48 48 LEU CB C 42.92 0.2 1 221 48 48 LEU N N 118.629 0.25 1 222 49 49 VAL H H 7.231 0.03 1 223 49 49 VAL C C 177.643 0.2 1 224 49 49 VAL CA C 65.105 0.2 1 225 49 49 VAL CB C 32.501 0.2 1 226 49 49 VAL N N 119.53 0.25 1 227 50 50 LEU H H 8.427 0.03 1 228 50 50 LEU C C 179.171 0.2 1 229 50 50 LEU CA C 57.314 0.2 1 230 50 50 LEU CB C 41.438 0.2 1 231 50 50 LEU N N 122.123 0.25 1 232 51 51 LEU H H 8.019 0.03 1 233 51 51 LEU C C 178.786 0.2 1 234 51 51 LEU CA C 56.664 0.2 1 235 51 51 LEU CB C 41.777 0.2 1 236 51 51 LEU N N 122.232 0.25 1 237 52 52 GLY H H 8.388 0.03 1 238 52 52 GLY C C 175.257 0.2 1 239 52 52 GLY CA C 47.449 0.2 1 240 52 52 GLY N N 106.157 0.25 1 241 53 53 HIS H H 8.03 0.03 1 242 53 53 HIS C C 176.396 0.2 1 243 53 53 HIS CA C 57.022 0.2 1 244 53 53 HIS CB C 28.709 0.2 1 245 53 53 HIS N N 118.621 0.25 1 246 54 54 SER H H 8.409 0.03 1 247 54 54 SER C C 175.286 0.2 1 248 54 54 SER CA C 60.281 0.2 1 249 54 54 SER CB C 63.529 0.2 1 250 54 54 SER N N 116.707 0.25 1 251 55 55 LEU H H 8.203 0.03 1 252 55 55 LEU C C 176.85 0.2 1 253 55 55 LEU CA C 55.025 0.2 1 254 55 55 LEU CB C 43.441 0.2 1 255 55 55 LEU N N 120.157 0.25 1 256 56 56 GLY H H 7.704 0.03 1 257 56 56 GLY C C 174.356 0.2 1 258 56 56 GLY CA C 46.165 0.2 1 259 56 56 GLY N N 107.048 0.25 1 260 57 57 ILE H H 7.826 0.03 1 261 57 57 ILE C C 173.875 0.2 1 262 57 57 ILE CA C 58.441 0.2 1 263 57 57 ILE N N 120.122 0.25 1 264 58 58 PRO C C 174.579 0.2 1 265 58 58 PRO CA C 62.204 0.2 1 266 58 58 PRO CB C 33.003 0.2 1 267 59 59 ARG H H 8.291 0.03 1 268 59 59 ARG C C 174.727 0.2 1 269 59 59 ARG CA C 54.002 0.2 1 270 59 59 ARG CB C 32.302 0.2 1 271 59 59 ARG N N 118.075 0.25 1 272 60 60 ALA H H 8.247 0.03 1 273 60 60 ALA C C 174.581 0.2 1 274 60 60 ALA CA C 48.99 0.2 1 275 60 60 ALA N N 126.632 0.25 1 276 61 61 PRO C C 176.501 0.2 1 277 61 61 PRO CA C 62.604 0.2 1 278 61 61 PRO CB C 33.256 0.2 1 279 62 62 LEU H H 8.469 0.03 1 280 62 62 LEU C C 178.903 0.2 1 281 62 62 LEU CA C 53.856 0.2 1 282 62 62 LEU CB C 43.635 0.2 1 283 62 62 LEU N N 121.818 0.25 1 284 63 63 SER H H 7.354 0.03 1 285 63 63 SER C C 175.657 0.2 1 286 63 63 SER CA C 59.779 0.2 1 287 63 63 SER N N 115.649 0.25 1 288 64 64 SER H H 10.087 0.03 1 289 64 64 SER C C 173.274 0.2 1 290 64 64 SER CA C 58.863 0.2 1 291 64 64 SER CB C 63.499 0.2 1 292 64 64 SER N N 118.877 0.25 1 293 65 65 CYS H H 7.958 0.03 1 294 65 65 CYS C C 170.978 0.2 1 295 65 65 CYS CA C 53.486 0.2 1 296 65 65 CYS N N 118.72 0.25 1 297 66 66 PRO C C 176.416 0.2 1 298 66 66 PRO CA C 63.905 0.2 1 299 66 66 PRO CB C 31.824 0.2 1 300 67 67 SER H H 8.365 0.03 1 301 67 67 SER C C 174.763 0.2 1 302 67 67 SER CA C 60.663 0.2 1 303 67 67 SER CB C 62.567 0.2 1 304 67 67 SER N N 114.872 0.25 1 305 68 68 GLN H H 8.162 0.03 1 306 68 68 GLN C C 174.634 0.2 1 307 68 68 GLN CA C 55.514 0.2 1 308 68 68 GLN CB C 29.564 0.2 1 309 68 68 GLN N N 117.92 0.25 1 310 69 69 ALA H H 8.066 0.03 1 311 69 69 ALA C C 174.753 0.2 1 312 69 69 ALA CA C 51.59 0.2 1 313 69 69 ALA CB C 18.412 0.2 1 314 69 69 ALA N N 124.245 0.25 1 315 70 70 LEU H H 7.676 0.03 1 316 70 70 LEU C C 176.867 0.2 1 317 70 70 LEU CA C 56.197 0.2 1 318 70 70 LEU CB C 42.698 0.2 1 319 70 70 LEU N N 121.877 0.25 1 320 71 71 ARG H H 8.602 0.03 1 321 71 71 ARG C C 175.801 0.2 1 322 71 71 ARG CA C 54.101 0.2 1 323 71 71 ARG CB C 30.259 0.2 1 324 71 71 ARG N N 127.754 0.25 1 325 72 72 LEU H H 8.673 0.03 1 326 72 72 LEU C C 177.186 0.2 1 327 72 72 LEU CA C 59.303 0.2 1 328 72 72 LEU CB C 42.475 0.2 1 329 72 72 LEU N N 125.94 0.25 1 330 73 73 ALA H H 8.915 0.03 1 331 73 73 ALA C C 180.294 0.2 1 332 73 73 ALA CA C 55.697 0.2 1 333 73 73 ALA CB C 18.319 0.2 1 334 73 73 ALA N N 120.203 0.25 1 335 74 74 GLY H H 7.845 0.03 1 336 74 74 GLY C C 175.356 0.2 1 337 74 74 GLY CA C 46.66 0.2 1 338 74 74 GLY N N 105.731 0.25 1 339 75 75 CYS H H 8.54 0.03 1 340 75 75 CYS C C 175.898 0.2 1 341 75 75 CYS CA C 57.711 0.2 1 342 75 75 CYS CB C 39.45 0.2 1 343 75 75 CYS N N 120.672 0.25 1 344 76 76 LEU H H 8.839 0.03 1 345 76 76 LEU C C 178.413 0.2 1 346 76 76 LEU CA C 58.234 0.2 1 347 76 76 LEU CB C 40.961 0.2 1 348 76 76 LEU N N 118.047 0.25 1 349 77 77 SER H H 8.017 0.03 1 350 77 77 SER C C 177.151 0.2 1 351 77 77 SER CA C 61.857 0.2 1 352 77 77 SER CB C 63.209 0.2 1 353 77 77 SER N N 112.09 0.25 1 354 78 78 GLN H H 8.182 0.03 1 355 78 78 GLN C C 180.526 0.2 1 356 78 78 GLN CA C 59.227 0.2 1 357 78 78 GLN CB C 28.992 0.2 1 358 78 78 GLN N N 122.526 0.25 1 359 79 79 LEU H H 9.221 0.03 1 360 79 79 LEU C C 178.231 0.2 1 361 79 79 LEU CA C 58.11 0.2 1 362 79 79 LEU CB C 42.62 0.2 1 363 79 79 LEU N N 123.967 0.25 1 364 80 80 HIS H H 8.941 0.03 1 365 80 80 HIS C C 175.689 0.2 1 366 80 80 HIS CA C 61.92 0.2 1 367 80 80 HIS CB C 29.289 0.2 1 368 80 80 HIS N N 117.102 0.25 1 369 81 81 SER H H 9.119 0.03 1 370 81 81 SER C C 177.205 0.2 1 371 81 81 SER CA C 61.727 0.2 1 372 81 81 SER CB C 62.974 0.2 1 373 81 81 SER N N 114.016 0.25 1 374 82 82 GLY H H 8.678 0.03 1 375 82 82 GLY C C 174.107 0.2 1 376 82 82 GLY CA C 47.219 0.2 1 377 82 82 GLY N N 111.14 0.25 1 378 83 83 LEU H H 8.092 0.03 1 379 83 83 LEU C C 178.118 0.2 1 380 83 83 LEU CA C 57.911 0.2 1 381 83 83 LEU CB C 42.336 0.2 1 382 83 83 LEU N N 121.86 0.25 1 383 84 84 LEU H H 7.553 0.03 1 384 84 84 LEU C C 180.044 0.2 1 385 84 84 LEU CA C 57.478 0.2 1 386 84 84 LEU CB C 41.267 0.2 1 387 84 84 LEU N N 118.53 0.25 1 388 85 85 LEU H H 7.876 0.03 1 389 85 85 LEU C C 178.774 0.2 1 390 85 85 LEU CA C 57.782 0.2 1 391 85 85 LEU CB C 41.111 0.2 1 392 85 85 LEU N N 123.742 0.25 1 393 86 86 TYR H H 8.123 0.03 1 394 86 86 TYR C C 177.448 0.2 1 395 86 86 TYR CA C 63.876 0.2 1 396 86 86 TYR CB C 38.01 0.2 1 397 86 86 TYR N N 116.889 0.25 1 398 87 87 GLN H H 8.919 0.03 1 399 87 87 GLN C C 178.167 0.2 1 400 87 87 GLN CA C 60.039 0.2 1 401 87 87 GLN CB C 29.557 0.2 1 402 87 87 GLN N N 120.589 0.25 1 403 88 88 GLY H H 7.954 0.03 1 404 88 88 GLY C C 176.693 0.2 1 405 88 88 GLY CA C 46.95 0.2 1 406 88 88 GLY N N 106.507 0.25 1 407 89 89 LEU H H 8.533 0.03 1 408 89 89 LEU C C 177.68 0.2 1 409 89 89 LEU CA C 57.503 0.2 1 410 89 89 LEU CB C 43.653 0.2 1 411 89 89 LEU N N 124.075 0.25 1 412 90 90 LEU H H 8.511 0.03 1 413 90 90 LEU C C 179.945 0.2 1 414 90 90 LEU CA C 57.312 0.2 1 415 90 90 LEU CB C 42.262 0.2 1 416 90 90 LEU N N 116.079 0.25 1 417 91 91 GLN H H 8.119 0.03 1 418 91 91 GLN C C 178.611 0.2 1 419 91 91 GLN CA C 58.659 0.2 1 420 91 91 GLN CB C 28.756 0.2 1 421 91 91 GLN N N 119.747 0.25 1 422 92 92 ALA H H 7.88 0.03 1 423 92 92 ALA C C 177.637 0.2 1 424 92 92 ALA CA C 53.608 0.2 1 425 92 92 ALA CB C 18.417 0.2 1 426 92 92 ALA N N 121.652 0.25 1 427 93 93 LEU H H 7.332 0.03 1 428 93 93 LEU C C 176.383 0.2 1 429 93 93 LEU CA C 55.268 0.2 1 430 93 93 LEU CB C 41.596 0.2 1 431 93 93 LEU N N 116.063 0.25 1 432 94 94 GLU H H 7.932 0.03 1 433 94 94 GLU C C 176.317 0.2 1 434 94 94 GLU CA C 56.046 0.2 1 435 94 94 GLU CB C 27.084 0.2 1 436 94 94 GLU N N 115.615 0.25 1 437 95 95 GLY H H 9.018 0.03 1 438 95 95 GLY C C 173.433 0.2 1 439 95 95 GLY CA C 45.88 0.2 1 440 95 95 GLY N N 107.554 0.25 1 441 96 96 ILE H H 7.628 0.03 1 442 96 96 ILE N N 111.268 0.25 1 443 98 98 PRO C C 178.663 0.2 1 444 98 98 PRO CA C 65.297 0.2 1 445 98 98 PRO CB C 32.131 0.2 1 446 99 99 GLU H H 8.949 0.03 1 447 99 99 GLU C C 177.129 0.2 1 448 99 99 GLU CA C 58.289 0.2 1 449 99 99 GLU CB C 28.966 0.2 1 450 99 99 GLU N N 115.488 0.25 1 451 100 100 LEU H H 7.797 0.03 1 452 100 100 LEU C C 176.666 0.2 1 453 100 100 LEU CA C 53.991 0.2 1 454 100 100 LEU CB C 43.191 0.2 1 455 100 100 LEU N N 121.075 0.25 1 456 101 101 GLY H H 7.895 0.03 1 457 101 101 GLY CA C 48.926 0.2 1 458 101 101 GLY N N 108.323 0.25 1 459 102 102 PRO C C 178.878 0.2 1 460 102 102 PRO CA C 65.382 0.2 1 461 102 102 PRO CB C 32.466 0.2 1 462 103 103 THR H H 7.557 0.03 1 463 103 103 THR C C 176.63 0.2 1 464 103 103 THR CA C 66.187 0.2 1 465 103 103 THR CB C 67.547 0.2 1 466 103 103 THR N N 114.641 0.25 1 467 104 104 LEU H H 8.237 0.03 1 468 104 104 LEU C C 178.085 0.2 1 469 104 104 LEU CA C 57.522 0.2 1 470 104 104 LEU CB C 41.675 0.2 1 471 104 104 LEU N N 124.824 0.25 1 472 105 105 ASP H H 9.026 0.03 1 473 105 105 ASP C C 177.909 0.2 1 474 105 105 ASP CA C 56.628 0.2 1 475 105 105 ASP CB C 39.391 0.2 1 476 105 105 ASP N N 120.832 0.25 1 477 106 106 THR H H 7.959 0.03 1 478 106 106 THR C C 174.514 0.2 1 479 106 106 THR CA C 66.421 0.2 1 480 106 106 THR N N 117.352 0.25 1 481 107 107 LEU H H 7.343 0.03 1 482 107 107 LEU C C 177.462 0.2 1 483 107 107 LEU CA C 57.473 0.2 1 484 107 107 LEU CB C 42.826 0.2 1 485 107 107 LEU N N 120.695 0.25 1 486 108 108 GLN H H 8.621 0.03 1 487 108 108 GLN C C 177.951 0.2 1 488 108 108 GLN CA C 60.004 0.2 1 489 108 108 GLN CB C 29.964 0.2 1 490 108 108 GLN N N 116.75 0.25 1 491 109 109 LEU H H 8.113 0.03 1 492 109 109 LEU C C 178.862 0.2 1 493 109 109 LEU CA C 57.726 0.2 1 494 109 109 LEU CB C 42.152 0.2 1 495 109 109 LEU N N 121.483 0.25 1 496 110 110 ASP H H 8.406 0.03 1 497 110 110 ASP C C 179.602 0.2 1 498 110 110 ASP CA C 56.614 0.2 1 499 110 110 ASP CB C 39.381 0.2 1 500 110 110 ASP N N 119.713 0.25 1 501 111 111 VAL H H 8.581 0.03 1 502 111 111 VAL C C 176.624 0.2 1 503 111 111 VAL CA C 67.064 0.2 1 504 111 111 VAL N N 122.578 0.25 1 505 112 112 ALA H H 8.275 0.03 1 506 112 112 ALA C C 180.286 0.2 1 507 112 112 ALA CA C 54.967 0.2 1 508 112 112 ALA CB C 18.8 0.2 1 509 112 112 ALA N N 122.908 0.25 1 510 113 113 ASP H H 8.618 0.03 1 511 113 113 ASP C C 178.241 0.2 1 512 113 113 ASP CA C 56.376 0.2 1 513 113 113 ASP CB C 40.221 0.2 1 514 113 113 ASP N N 117.99 0.25 1 515 114 114 PHE H H 7.942 0.03 1 516 114 114 PHE C C 176.921 0.2 1 517 114 114 PHE CA C 56.834 0.2 1 518 114 114 PHE CB C 40.252 0.2 1 519 114 114 PHE N N 121.389 0.25 1 520 115 115 ALA H H 8.82 0.03 1 521 115 115 ALA C C 179.78 0.2 1 522 115 115 ALA CA C 55.827 0.2 1 523 115 115 ALA CB C 17.796 0.2 1 524 115 115 ALA N N 121.772 0.25 1 525 116 116 THR H H 8.586 0.03 1 526 116 116 THR C C 175.656 0.2 1 527 116 116 THR CA C 66.413 0.2 1 528 116 116 THR CB C 67.889 0.2 1 529 116 116 THR N N 116.238 0.25 1 530 117 117 THR H H 8.349 0.03 1 531 117 117 THR C C 177.05 0.2 1 532 117 117 THR CA C 66.493 0.2 1 533 117 117 THR N N 121.1 0.25 1 534 118 118 ILE H H 8.355 0.03 1 535 118 118 ILE C C 176.741 0.2 1 536 118 118 ILE CA C 64.684 0.2 1 537 118 118 ILE N N 120.975 0.25 1 538 119 119 TRP H H 8.697 0.03 1 539 119 119 TRP C C 177.058 0.2 1 540 119 119 TRP CA C 60.106 0.2 1 541 119 119 TRP CB C 30.229 0.2 1 542 119 119 TRP N N 121.858 0.25 1 543 120 120 GLN H H 8.803 0.03 1 544 120 120 GLN C C 178.447 0.2 1 545 120 120 GLN CA C 58.463 0.2 1 546 120 120 GLN CB C 28.676 0.2 1 547 120 120 GLN N N 116.435 0.25 1 548 121 121 GLN H H 7.628 0.03 1 549 121 121 GLN C C 178.1 0.2 1 550 121 121 GLN CA C 57.308 0.2 1 551 121 121 GLN CB C 29.562 0.2 1 552 121 121 GLN N N 119.169 0.25 1 553 122 122 MET H H 8.274 0.03 1 554 122 122 MET C C 178.027 0.2 1 555 122 122 MET CA C 59.635 0.2 1 556 122 122 MET CB C 33.443 0.2 1 557 122 122 MET N N 118.623 0.25 1 558 123 123 GLU H H 8.221 0.03 1 559 123 123 GLU C C 179.859 0.2 1 560 123 123 GLU CA C 58.298 0.2 1 561 123 123 GLU CB C 28.592 0.2 1 562 123 123 GLU N N 118.586 0.25 1 563 124 124 GLU H H 7.942 0.03 1 564 124 124 GLU C C 177.359 0.2 1 565 124 124 GLU CA C 58.23 0.2 1 566 124 124 GLU CB C 28.609 0.2 1 567 124 124 GLU N N 120.621 0.25 1 568 125 125 LEU H H 7.386 0.03 1 569 125 125 LEU C C 176.634 0.2 1 570 125 125 LEU CA C 54.09 0.2 1 571 125 125 LEU CB C 42.881 0.2 1 572 125 125 LEU N N 116.508 0.25 1 573 126 126 GLY H H 7.741 0.03 1 574 126 126 GLY C C 174.762 0.2 1 575 126 126 GLY CA C 46.017 0.2 1 576 126 126 GLY N N 108.282 0.25 1 577 127 127 MET H H 7.941 0.03 1 578 127 127 MET C C 173.923 0.2 1 579 127 127 MET CA C 54.72 0.2 1 580 127 127 MET CB C 34.209 0.2 1 581 127 127 MET N N 116.846 0.25 1 582 128 128 ALA H H 7.952 0.03 1 583 128 128 ALA C C 174.316 0.2 1 584 128 128 ALA CA C 49.787 0.2 1 585 128 128 ALA N N 124.321 0.25 1 586 129 129 PRO C C 175.557 0.2 1 587 129 129 PRO CA C 62.003 0.2 1 588 129 129 PRO CB C 32.423 0.2 1 589 130 130 ALA H H 8.278 0.03 1 590 130 130 ALA C C 177.328 0.2 1 591 130 130 ALA CA C 52.149 0.2 1 592 130 130 ALA CB C 19.712 0.2 1 593 130 130 ALA N N 123.075 0.25 1 594 131 131 LEU H H 8.126 0.03 1 595 131 131 LEU C C 176.333 0.2 1 596 131 131 LEU CA C 54.284 0.2 1 597 131 131 LEU CB C 43.243 0.2 1 598 131 131 LEU N N 120.936 0.25 1 599 132 132 GLN H H 8.444 0.03 1 600 132 132 GLN C C 173.42 0.2 1 601 132 132 GLN CA C 52.925 0.2 1 602 132 132 GLN N N 123.268 0.25 1 603 133 133 PRO C C 176.308 0.2 1 604 133 133 PRO CA C 62.405 0.2 1 605 133 133 PRO CB C 32.593 0.2 1 606 134 134 THR H H 8.257 0.03 1 607 134 134 THR C C 173.991 0.2 1 608 134 134 THR CA C 61.424 0.2 1 609 134 134 THR CB C 70.397 0.2 1 610 134 134 THR N N 115.593 0.25 1 611 135 135 GLN H H 8.546 0.03 1 612 135 135 GLN C C 175.648 0.2 1 613 135 135 GLN CA C 55.277 0.2 1 614 135 135 GLN CB C 30.327 0.2 1 615 135 135 GLN N N 123.961 0.25 1 616 136 136 GLY H H 8.305 0.03 1 617 136 136 GLY C C 172.355 0.2 1 618 136 136 GLY CA C 44.257 0.2 1 619 136 136 GLY N N 110.5 0.25 1 620 137 137 ALA H H 8.146 0.03 1 621 137 137 ALA C C 177.239 0.2 1 622 137 137 ALA CA C 51.657 0.2 1 623 137 137 ALA CB C 19.69 0.2 1 624 137 137 ALA N N 123.22 0.25 1 625 138 138 MET H H 8.419 0.03 1 626 138 138 MET C C 173.735 0.2 1 627 138 138 MET CA C 51.75 0.2 1 628 138 138 MET N N 121.652 0.25 1 629 139 139 PRO C C 173.827 0.2 1 630 139 139 PRO CA C 61.755 0.2 1 631 139 139 PRO CB C 31.937 0.2 1 632 140 140 ALA H H 7.939 0.03 1 633 140 140 ALA C C 176.295 0.2 1 634 140 140 ALA CA C 50.39 0.2 1 635 140 140 ALA CB C 19.982 0.2 1 636 140 140 ALA N N 122.463 0.25 1 637 141 141 PHE H H 8.428 0.03 1 638 141 141 PHE C C 175.088 0.2 1 639 141 141 PHE CA C 56.014 0.2 1 640 141 141 PHE CB C 39.828 0.2 1 641 141 141 PHE N N 120.443 0.25 1 642 142 142 ALA H H 8.28 0.03 1 643 142 142 ALA C C 176.898 0.2 1 644 142 142 ALA CA C 53.474 0.2 1 645 142 142 ALA CB C 20.534 0.2 1 646 142 142 ALA N N 125.034 0.25 1 647 143 143 SER H H 7.85 0.03 1 648 143 143 SER C C 173.896 0.2 1 649 143 143 SER CA C 55.558 0.2 1 650 143 143 SER CB C 67.258 0.2 1 651 143 143 SER N N 111.577 0.25 1 652 144 144 ALA H H 9.06 0.03 1 653 144 144 ALA C C 179.485 0.2 1 654 144 144 ALA CA C 55.42 0.2 1 655 144 144 ALA CB C 18.098 0.2 1 656 144 144 ALA N N 124.759 0.25 1 657 145 145 PHE H H 8.715 0.03 1 658 145 145 PHE C C 176.551 0.2 1 659 145 145 PHE CA C 61.348 0.2 1 660 145 145 PHE CB C 39.342 0.2 1 661 145 145 PHE N N 117.263 0.25 1 662 146 146 GLN H H 7.884 0.03 1 663 146 146 GLN C C 178.021 0.2 1 664 146 146 GLN CA C 59.31 0.2 1 665 146 146 GLN CB C 29.002 0.2 1 666 146 146 GLN N N 116.152 0.25 1 667 147 147 ARG H H 7.965 0.03 1 668 147 147 ARG C C 176.93 0.2 1 669 147 147 ARG CA C 59.288 0.2 1 670 147 147 ARG CB C 31.042 0.2 1 671 147 147 ARG N N 117.548 0.25 1 672 148 148 ARG H H 7.839 0.03 1 673 148 148 ARG C C 176.505 0.2 1 674 148 148 ARG CA C 59.112 0.2 1 675 148 148 ARG CB C 30.821 0.2 1 676 148 148 ARG N N 118.117 0.25 1 677 149 149 ALA H H 8.236 0.03 1 678 149 149 ALA C C 179.526 0.2 1 679 149 149 ALA CA C 54.191 0.2 1 680 149 149 ALA CB C 19 0.2 1 681 149 149 ALA N N 120.137 0.25 1 682 150 150 GLY H H 8.275 0.03 1 683 150 150 GLY C C 174.738 0.2 1 684 150 150 GLY CA C 46.762 0.2 1 685 150 150 GLY N N 106.108 0.25 1 686 151 151 GLY H H 7.909 0.03 1 687 151 151 GLY C C 173.54 0.2 1 688 151 151 GLY CA C 47.619 0.2 1 689 151 151 GLY N N 109.01 0.25 1 690 152 152 VAL H H 7.38 0.03 1 691 152 152 VAL C C 178.472 0.2 1 692 152 152 VAL CA C 66.005 0.2 1 693 152 152 VAL CB C 32.004 0.2 1 694 152 152 VAL N N 121.022 0.25 1 695 153 153 LEU H H 7.942 0.03 1 696 153 153 LEU C C 178.522 0.2 1 697 153 153 LEU CA C 57.783 0.2 1 698 153 153 LEU CB C 43.63 0.2 1 699 153 153 LEU N N 120.328 0.25 1 700 154 154 VAL H H 9.212 0.03 1 701 154 154 VAL C C 177.071 0.2 1 702 154 154 VAL CA C 67.27 0.2 1 703 154 154 VAL CB C 32.133 0.2 1 704 154 154 VAL N N 119.333 0.25 1 705 155 155 ALA H H 8.226 0.03 1 706 155 155 ALA C C 178.832 0.2 1 707 155 155 ALA CA C 55.45 0.2 1 708 155 155 ALA CB C 17.906 0.2 1 709 155 155 ALA N N 119.802 0.25 1 710 156 156 SER H H 8.093 0.03 1 711 156 156 SER C C 177.676 0.2 1 712 156 156 SER CA C 61.125 0.2 1 713 156 156 SER CB C 62.839 0.2 1 714 156 156 SER N N 112.809 0.25 1 715 157 157 HIS H H 8.552 0.03 1 716 157 157 HIS C C 177.227 0.2 1 717 157 157 HIS CA C 57.442 0.2 1 718 157 157 HIS N N 120.865 0.25 1 719 158 158 LEU H H 8.852 0.03 1 720 158 158 LEU C C 177.549 0.2 1 721 158 158 LEU CA C 57.297 0.2 1 722 158 158 LEU CB C 41.74 0.2 1 723 158 158 LEU N N 122.733 0.25 1 724 159 159 GLN H H 8.236 0.03 1 725 159 159 GLN C C 179.234 0.2 1 726 159 159 GLN CA C 59.025 0.2 1 727 159 159 GLN CB C 28.225 0.2 1 728 159 159 GLN N N 118.167 0.25 1 729 160 160 SER H H 7.775 0.03 1 730 160 160 SER C C 176.059 0.2 1 731 160 160 SER CA C 61.728 0.2 1 732 160 160 SER CB C 62.911 0.2 1 733 160 160 SER N N 115.799 0.25 1 734 161 161 PHE H H 8.212 0.03 1 735 161 161 PHE C C 178.278 0.2 1 736 161 161 PHE CA C 60.862 0.2 1 737 161 161 PHE CB C 39.986 0.2 1 738 161 161 PHE N N 125 0.25 1 739 162 162 LEU H H 9.122 0.03 1 740 162 162 LEU C C 178.221 0.2 1 741 162 162 LEU CA C 56.51 0.2 1 742 162 162 LEU CB C 41.913 0.2 1 743 162 162 LEU N N 120.756 0.25 1 744 163 163 GLU H H 8.066 0.03 1 745 163 163 GLU C C 179.058 0.2 1 746 163 163 GLU CA C 59.115 0.2 1 747 163 163 GLU CB C 29 0.2 1 748 163 163 GLU N N 121.063 0.25 1 749 164 164 VAL H H 7.423 0.03 1 750 164 164 VAL C C 177.694 0.2 1 751 164 164 VAL CA C 66.172 0.2 1 752 164 164 VAL CB C 31.572 0.2 1 753 164 164 VAL N N 119.757 0.25 1 754 165 165 SER H H 8.061 0.03 1 755 165 165 SER C C 174.42 0.2 1 756 165 165 SER CA C 62.895 0.2 1 757 165 165 SER N N 115.459 0.25 1 758 166 166 TYR H H 8.736 0.03 1 759 166 166 TYR C C 175.71 0.2 1 760 166 166 TYR CA C 61.616 0.2 1 761 166 166 TYR CB C 38.935 0.2 1 762 166 166 TYR N N 121.354 0.25 1 763 167 167 ARG H H 7.661 0.03 1 764 167 167 ARG C C 179.31 0.2 1 765 167 167 ARG CA C 59.398 0.2 1 766 167 167 ARG CB C 30.465 0.2 1 767 167 167 ARG N N 117.754 0.25 1 768 168 168 VAL H H 8.453 0.03 1 769 168 168 VAL C C 177.607 0.2 1 770 168 168 VAL CA C 65.851 0.2 1 771 168 168 VAL CB C 32.729 0.2 1 772 168 168 VAL N N 120.599 0.25 1 773 169 169 LEU H H 8.114 0.03 1 774 169 169 LEU C C 178.466 0.2 1 775 169 169 LEU CA C 57.979 0.2 1 776 169 169 LEU CB C 41.414 0.2 1 777 169 169 LEU N N 118.637 0.25 1 778 170 170 ARG H H 8.583 0.03 1 779 170 170 ARG C C 178.333 0.2 1 780 170 170 ARG CA C 58.225 0.2 1 781 170 170 ARG CB C 29.701 0.2 1 782 170 170 ARG N N 117.455 0.25 1 783 171 171 HIS H H 7.946 0.03 1 784 171 171 HIS C C 176.152 0.2 1 785 171 171 HIS CA C 57.583 0.2 1 786 171 171 HIS CB C 28.584 0.2 1 787 171 171 HIS N N 117.021 0.25 1 788 172 172 LEU H H 7.794 0.03 1 789 172 172 LEU C C 176.969 0.2 1 790 172 172 LEU CA C 55.936 0.2 1 791 172 172 LEU CB C 42.855 0.2 1 792 172 172 LEU N N 117.919 0.25 1 793 173 173 ALA H H 7.713 0.03 1 794 173 173 ALA C C 176.778 0.2 1 795 173 173 ALA CA C 52.364 0.2 1 796 173 173 ALA CB C 19.582 0.2 1 797 173 173 ALA N N 120.551 0.25 1 798 174 174 GLN H H 7.753 0.03 1 799 174 174 GLN C C 171.783 0.2 1 800 174 174 GLN CA C 53.016 0.2 1 801 174 174 GLN N N 118.903 0.25 1 stop_ save_ save_G-CSFC3_pH4_extra_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $G-CSFC3_pH4 stop_ _Sample_conditions_label $G-CSFC3_pH4_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name G-CSFC3 _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 PRO C C 176.282 0.2 1 2 3 3 PRO CA C 62.707 0.2 1 3 3 3 PRO CB C 32.589 0.2 1 4 4 4 LEU H H 8.389 0.03 1 5 4 4 LEU C C 177.216 0.2 1 6 4 4 LEU CA C 54.726 0.2 1 7 4 4 LEU CB C 43.055 0.2 1 8 4 4 LEU N N 122.814 0.25 1 9 5 5 GLY H H 8.16 0.03 1 10 5 5 GLY CA C 43.972 0.2 1 11 5 5 GLY N N 109.55 0.25 1 12 6 6 PRO C C 175.972 0.2 1 13 6 6 PRO CA C 61.949 0.2 1 14 6 6 PRO CB C 35.219 0.2 1 15 7 7 ALA H H 8.627 0.03 1 16 7 7 ALA C C 177.008 0.2 1 17 7 7 ALA CA C 52.295 0.2 1 18 7 7 ALA CB C 19.757 0.2 1 19 7 7 ALA N N 125.106 0.25 1 20 8 8 SER H H 8.386 0.03 1 21 8 8 SER C C 173.58 0.2 1 22 8 8 SER CA C 57.732 0.2 1 23 8 8 SER CB C 64.592 0.2 1 24 8 8 SER N N 114.588 0.25 1 25 9 9 SER H H 8.128 0.03 1 26 9 9 SER C C 173.205 0.2 1 27 9 9 SER CA C 57.469 0.2 1 28 9 9 SER N N 116.701 0.25 1 stop_ save_ save_G-CSFC3_pH7_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $G-CSFC3_pH7 stop_ _Sample_conditions_label $G-CSFC3_pH7_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name G-CSFC3 _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 PRO C C 176.286 0.2 1 2 3 3 PRO CA C 62.72 0.2 1 3 3 3 PRO CB C 32.561 0.2 1 4 4 4 LEU H H 8.34 0.03 1 5 4 4 LEU C C 177.197 0.2 1 6 4 4 LEU CA C 54.717 0.2 1 7 4 4 LEU CB C 43.16 0.2 1 8 4 4 LEU N N 122.404 0.25 1 9 5 5 GLY H H 8.208 0.03 1 10 5 5 GLY CA C 44.253 0.2 1 11 5 5 GLY N N 109.663 0.25 1 12 6 6 PRO C C 176.617 0.2 1 13 6 6 PRO CA C 62.861 0.2 1 14 6 6 PRO CB C 32.543 0.2 1 15 7 7 ALA H H 8.457 0.03 1 16 7 7 ALA C C 177.238 0.2 1 17 7 7 ALA CA C 52.165 0.2 1 18 7 7 ALA CB C 19.801 0.2 1 19 7 7 ALA N N 123.661 0.25 1 20 8 8 SER H H 8.194 0.03 1 21 8 8 SER C C 173.603 0.2 1 22 8 8 SER CA C 58.049 0.2 1 23 8 8 SER CB C 64.645 0.2 1 24 8 8 SER N N 114.328 0.25 1 25 9 9 SER H H 8.092 0.03 1 26 9 9 SER C C 173.23 0.2 1 27 9 9 SER CA C 57.475 0.2 1 28 9 9 SER CB C 64.829 0.2 1 29 9 9 SER N N 116.54 0.25 1 30 10 10 LEU H H 8.341 0.03 1 31 10 10 LEU C C 173.855 0.2 1 32 10 10 LEU CA C 51.889 0.2 1 33 10 10 LEU N N 122.682 0.25 1 34 11 11 PRO C C 177.472 0.2 1 35 11 11 PRO CA C 62.278 0.2 1 36 12 12 GLN H H 8.953 0.03 1 37 12 12 GLN C C 177.331 0.2 1 38 12 12 GLN CA C 58.531 0.2 1 39 12 12 GLN CB C 29.468 0.2 1 40 12 12 GLN N N 124.068 0.25 1 41 13 13 SER H H 8.659 0.03 1 42 13 13 SER C C 176.495 0.2 1 43 13 13 SER CA C 60.386 0.2 1 44 13 13 SER CB C 61.879 0.2 1 45 13 13 SER N N 112.618 0.25 1 46 14 14 PHE H H 7.258 0.03 1 47 14 14 PHE C C 176.016 0.2 1 48 14 14 PHE CA C 59.779 0.2 1 49 14 14 PHE N N 122.549 0.25 1 50 15 15 LEU H H 7.496 0.03 1 51 15 15 LEU C C 177.798 0.2 1 52 15 15 LEU CA C 57.355 0.2 1 53 15 15 LEU N N 119.802 0.25 1 54 16 16 LEU H H 8.318 0.03 1 55 16 16 LEU C C 179.826 0.2 1 56 16 16 LEU CA C 57.448 0.2 1 57 16 16 LEU N N 116.693 0.25 1 58 17 17 LYS H H 7.624 0.03 1 59 17 17 LYS C C 178.5 0.2 1 60 17 17 LYS CA C 58.458 0.2 1 61 17 17 LYS N N 120.39 0.25 1 62 18 18 GLY H H 8.639 0.03 1 63 18 18 GLY C C 174.408 0.2 1 64 18 18 GLY CA C 46.663 0.2 1 65 18 18 GLY N N 107.819 0.25 1 66 19 19 LEU H H 8.172 0.03 1 67 19 19 LEU C C 178.834 0.2 1 68 19 19 LEU CA C 58.204 0.2 1 69 19 19 LEU N N 121.105 0.25 1 70 20 20 GLU H H 7.419 0.03 1 71 20 20 GLU C C 179.38 0.2 1 72 20 20 GLU CA C 58.661 0.2 1 73 20 20 GLU N N 118.728 0.25 1 74 21 21 GLN H H 8.424 0.03 1 75 21 21 GLN C C 178.312 0.2 1 76 21 21 GLN CA C 58.882 0.2 1 77 21 21 GLN N N 120.906 0.25 1 78 22 22 VAL H H 8.443 0.03 1 79 22 22 VAL C C 177.132 0.2 1 80 22 22 VAL CA C 66.96 0.2 1 81 22 22 VAL N N 119.754 0.25 1 82 23 23 ARG H H 7.592 0.03 1 83 23 23 ARG C C 179.339 0.2 1 84 23 23 ARG CA C 58.271 0.2 1 85 23 23 ARG N N 118.045 0.25 1 86 24 24 LYS H H 7.961 0.03 1 87 24 24 LYS C C 178.74 0.2 1 88 24 24 LYS CA C 58.962 0.2 1 89 24 24 LYS N N 122.037 0.25 1 90 25 25 ILE H H 8.229 0.03 1 91 25 25 ILE C C 178.318 0.2 1 92 25 25 ILE CA C 64.568 0.2 1 93 25 25 ILE N N 119.53 0.25 1 94 26 26 GLN H H 8.859 0.03 1 95 26 26 GLN C C 180.065 0.2 1 96 26 26 GLN CA C 59.062 0.2 1 97 26 26 GLN N N 119.817 0.25 1 98 27 27 GLY H H 8.088 0.03 1 99 27 27 GLY C C 176.516 0.2 1 100 27 27 GLY CA C 46.835 0.2 1 101 27 27 GLY N N 107.554 0.25 1 102 28 28 ASP H H 8.426 0.03 1 103 28 28 ASP C C 178.993 0.2 1 104 28 28 ASP CA C 55.686 0.2 1 105 28 28 ASP CB C 40.129 0.2 1 106 28 28 ASP N N 124.477 0.25 1 107 29 29 GLY H H 9.282 0.03 1 108 29 29 GLY C C 174.651 0.2 1 109 29 29 GLY CA C 46.339 0.2 1 110 29 29 GLY N N 109.69 0.25 1 111 30 30 ALA H H 8.272 0.03 1 112 30 30 ALA C C 180.019 0.2 1 113 30 30 ALA CA C 54.376 0.2 1 114 30 30 ALA CB C 18.127 0.2 1 115 30 30 ALA N N 125.447 0.25 1 116 31 31 ALA H H 7.948 0.03 1 117 31 31 ALA C C 180.071 0.2 1 118 31 31 ALA CA C 54.477 0.2 1 119 31 31 ALA CB C 18.15 0.2 1 120 31 31 ALA N N 121.464 0.25 1 121 32 32 LEU H H 7.608 0.03 1 122 32 32 LEU C C 177.408 0.2 1 123 32 32 LEU CA C 57.883 0.2 1 124 32 32 LEU N N 119.132 0.25 1 125 33 33 GLN H H 8.377 0.03 1 126 33 33 GLN C C 178.798 0.2 1 127 33 33 GLN CA C 59.62 0.2 1 128 33 33 GLN N N 118.099 0.25 1 129 34 34 GLU H H 8.675 0.03 1 130 34 34 GLU C C 178.784 0.2 1 131 34 34 GLU CA C 59.259 0.2 1 132 34 34 GLU CB C 29.724 0.2 1 133 34 34 GLU N N 120.861 0.25 1 134 35 35 LYS H H 8.109 0.03 1 135 35 35 LYS C C 180.086 0.2 1 136 35 35 LYS CA C 58.92 0.2 1 137 35 35 LYS N N 120.188 0.25 1 138 36 36 LEU H H 8.568 0.03 1 139 36 36 LEU C C 178.688 0.2 1 140 36 36 LEU CA C 58.665 0.2 1 141 36 36 LEU N N 121.961 0.25 1 142 37 37 CYS H H 7.932 0.03 1 143 37 37 CYS C C 176.636 0.2 1 144 37 37 CYS CA C 56.596 0.2 1 145 37 37 CYS CB C 38.368 0.2 1 146 37 37 CYS N N 118.374 0.25 1 147 38 38 ALA H H 8.868 0.03 1 148 38 38 ALA C C 179.152 0.2 1 149 38 38 ALA CA C 54.81 0.2 1 150 38 38 ALA CB C 19.354 0.2 1 151 38 38 ALA N N 123.349 0.25 1 152 39 39 THR H H 8.187 0.03 1 153 39 39 THR C C 174.898 0.2 1 154 39 39 THR CA C 65.176 0.2 1 155 39 39 THR CB C 69.796 0.2 1 156 39 39 THR N N 110.379 0.25 1 157 40 40 TYR H H 7.158 0.03 1 158 40 40 TYR C C 174.102 0.2 1 159 40 40 TYR CA C 56.532 0.2 1 160 40 40 TYR N N 115.805 0.25 1 161 41 41 LYS H H 7.711 0.03 1 162 41 41 LYS C C 175.611 0.2 1 163 41 41 LYS CA C 57.087 0.2 1 164 41 41 LYS CB C 29.213 0.2 1 165 41 41 LYS N N 114.631 0.25 1 166 42 42 LEU H H 6.937 0.03 1 167 42 42 LEU C C 174.956 0.2 1 168 42 42 LEU CA C 53.011 0.2 1 169 42 42 LEU N N 121.376 0.25 1 170 43 43 CYS H H 8.189 0.03 1 171 43 43 CYS CA C 57.086 0.2 1 172 43 43 CYS N N 118.922 0.25 1 173 45 45 PRO C C 177.771 0.2 1 174 45 45 PRO CA C 65.067 0.2 1 175 46 46 GLU H H 10.048 0.03 1 176 46 46 GLU C C 178.08 0.2 1 177 46 46 GLU CA C 59.109 0.2 1 178 46 46 GLU N N 118.29 0.25 1 179 47 47 GLU H H 7.597 0.03 1 180 47 47 GLU C C 177.175 0.2 1 181 47 47 GLU CA C 57.031 0.2 1 182 47 47 GLU N N 117.284 0.25 1 183 48 48 LEU H H 7.682 0.03 1 184 48 48 LEU C C 176.749 0.2 1 185 48 48 LEU CA C 53.961 0.2 1 186 48 48 LEU N N 117.886 0.25 1 187 49 49 VAL H H 7.226 0.03 1 188 49 49 VAL C C 177.816 0.2 1 189 49 49 VAL CA C 65.454 0.2 1 190 49 49 VAL CB C 32.475 0.2 1 191 49 49 VAL N N 119.583 0.25 1 192 50 50 LEU H H 8.325 0.03 1 193 50 50 LEU C C 179.198 0.2 1 194 50 50 LEU CA C 57.387 0.2 1 195 50 50 LEU CB C 42.996 0.2 1 196 50 50 LEU N N 121.078 0.25 1 197 51 51 LEU H H 7.837 0.03 1 198 51 51 LEU C C 178.604 0.2 1 199 51 51 LEU CA C 56.598 0.2 1 200 51 51 LEU CB C 42.171 0.2 1 201 51 51 LEU N N 121.394 0.25 1 202 52 52 GLY H H 8.263 0.03 1 203 52 52 GLY C C 175.336 0.2 1 204 52 52 GLY CA C 47.503 0.2 1 205 52 52 GLY N N 106.39 0.25 1 206 53 53 HIS H H 7.895 0.03 1 207 53 53 HIS C C 177.562 0.2 1 208 53 53 HIS CA C 57.872 0.2 1 209 53 53 HIS CB C 31.358 0.2 1 210 53 53 HIS N N 120.02 0.25 1 211 54 54 SER H H 8.282 0.03 1 212 54 54 SER C C 175.592 0.2 1 213 54 54 SER CA C 60.257 0.2 1 214 54 54 SER N N 116.295 0.25 1 215 55 55 LEU H H 8.205 0.03 1 216 55 55 LEU C C 176.92 0.2 1 217 55 55 LEU CA C 55.104 0.2 1 218 55 55 LEU N N 120.13 0.25 1 219 56 56 GLY H H 7.764 0.03 1 220 56 56 GLY C C 174.425 0.2 1 221 56 56 GLY CA C 46.062 0.2 1 222 56 56 GLY N N 107.165 0.25 1 223 57 57 ILE H H 7.767 0.03 1 224 57 57 ILE C C 173.565 0.2 1 225 57 57 ILE CA C 58.709 0.2 1 226 57 57 ILE CB C 38.683 0.2 1 227 57 57 ILE N N 120.154 0.25 1 228 58 58 PRO CA C 61.974 0.2 1 229 59 59 ARG H H 8.084 0.03 1 230 59 59 ARG C C 175.367 0.2 1 231 59 59 ARG CA C 53.518 0.2 1 232 59 59 ARG CB C 32.471 0.2 1 233 59 59 ARG N N 116.783 0.25 1 234 60 60 ALA H H 8.106 0.03 1 235 60 60 ALA C C 174.767 0.2 1 236 60 60 ALA CA C 49.196 0.2 1 237 60 60 ALA CB C 19.959 0.2 1 238 60 60 ALA N N 127.15 0.25 1 239 61 61 PRO CA C 62.481 0.2 1 240 62 62 LEU H H 8.423 0.03 1 241 62 62 LEU C C 178.877 0.2 1 242 62 62 LEU CA C 53.86 0.2 1 243 62 62 LEU N N 121.611 0.25 1 244 63 63 SER H H 7.336 0.03 1 245 63 63 SER CA C 59.828 0.2 1 246 63 63 SER N N 115.445 0.25 1 247 64 64 SER H H 10.084 0.03 1 248 64 64 SER C C 173.239 0.2 1 249 64 64 SER CA C 58.984 0.2 1 250 64 64 SER N N 118.935 0.25 1 251 65 65 CYS H H 7.952 0.03 1 252 65 65 CYS CA C 53.605 0.2 1 253 65 65 CYS N N 118.952 0.25 1 254 66 66 PRO C C 176.658 0.2 1 255 66 66 PRO CA C 64.14 0.2 1 256 67 67 SER H H 8.338 0.03 1 257 67 67 SER C C 174.865 0.2 1 258 67 67 SER CA C 60.698 0.2 1 259 67 67 SER CB C 62.733 0.2 1 260 67 67 SER N N 115.438 0.25 1 261 68 68 GLN H H 8.187 0.03 1 262 68 68 GLN C C 174.668 0.2 1 263 68 68 GLN CA C 55.879 0.2 1 264 68 68 GLN CB C 29.349 0.2 1 265 68 68 GLN N N 117.902 0.25 1 266 69 69 ALA H H 7.99 0.03 1 267 69 69 ALA C C 174.802 0.2 1 268 69 69 ALA CA C 51.489 0.2 1 269 69 69 ALA CB C 18.473 0.2 1 270 69 69 ALA N N 124.296 0.25 1 271 70 70 LEU H H 7.659 0.03 1 272 70 70 LEU C C 176.894 0.2 1 273 70 70 LEU CA C 56.205 0.2 1 274 70 70 LEU N N 122.232 0.25 1 275 71 71 ARG H H 8.526 0.03 1 276 71 71 ARG CA C 54.128 0.2 1 277 71 71 ARG N N 127.776 0.25 1 278 72 72 LEU H H 8.648 0.03 1 279 72 72 LEU C C 177.027 0.2 1 280 72 72 LEU CA C 59.45 0.2 1 281 72 72 LEU N N 125.825 0.25 1 282 73 73 ALA H H 8.865 0.03 1 283 73 73 ALA C C 180.183 0.2 1 284 73 73 ALA CA C 55.538 0.2 1 285 73 73 ALA CB C 18.403 0.2 1 286 73 73 ALA N N 120.081 0.25 1 287 74 74 GLY H H 7.812 0.03 1 288 74 74 GLY C C 175.227 0.2 1 289 74 74 GLY CA C 46.782 0.2 1 290 74 74 GLY N N 105.498 0.25 1 291 75 75 CYS H H 8.589 0.03 1 292 75 75 CYS C C 175.778 0.2 1 293 75 75 CYS CA C 57.803 0.2 1 294 75 75 CYS N N 120.515 0.25 1 295 76 76 LEU H H 8.76 0.03 1 296 76 76 LEU C C 178.104 0.2 1 297 76 76 LEU CA C 58.296 0.2 1 298 76 76 LEU N N 118.059 0.25 1 299 77 77 SER H H 7.863 0.03 1 300 77 77 SER C C 177.046 0.2 1 301 77 77 SER CA C 61.748 0.2 1 302 77 77 SER CB C 63.187 0.2 1 303 77 77 SER N N 111.697 0.25 1 304 78 78 GLN H H 8.096 0.03 1 305 78 78 GLN C C 180.238 0.2 1 306 78 78 GLN CA C 59.109 0.2 1 307 78 78 GLN N N 122.767 0.25 1 308 79 79 LEU H H 9.128 0.03 1 309 79 79 LEU C C 178.009 0.2 1 310 79 79 LEU CA C 58.037 0.2 1 311 79 79 LEU N N 124.034 0.25 1 312 80 80 HIS H H 8.71 0.03 1 313 80 80 HIS C C 176.179 0.2 1 314 80 80 HIS CA C 62.724 0.2 1 315 80 80 HIS N N 118.808 0.25 1 316 81 81 SER H H 8.762 0.03 1 317 81 81 SER C C 177.634 0.2 1 318 81 81 SER CA C 61.42 0.2 1 319 81 81 SER CB C 63.086 0.2 1 320 81 81 SER N N 111.966 0.25 1 321 82 82 GLY H H 8.568 0.03 1 322 82 82 GLY C C 173.811 0.2 1 323 82 82 GLY CA C 47.069 0.2 1 324 82 82 GLY N N 110.515 0.25 1 325 83 83 LEU H H 8.12 0.03 1 326 83 83 LEU C C 178.39 0.2 1 327 83 83 LEU CA C 57.974 0.2 1 328 83 83 LEU N N 122.362 0.25 1 329 84 84 LEU H H 7.753 0.03 1 330 84 84 LEU C C 180.25 0.2 1 331 84 84 LEU CA C 57.5 0.2 1 332 84 84 LEU N N 118.537 0.25 1 333 85 85 LEU H H 7.869 0.03 1 334 85 85 LEU C C 178.671 0.2 1 335 85 85 LEU CA C 57.831 0.2 1 336 85 85 LEU N N 123.816 0.25 1 337 86 86 TYR H H 8.131 0.03 1 338 86 86 TYR C C 177.483 0.2 1 339 86 86 TYR CA C 63.614 0.2 1 340 86 86 TYR N N 116.97 0.25 1 341 87 87 GLN H H 8.919 0.03 1 342 87 87 GLN C C 178.071 0.2 1 343 87 87 GLN CA C 59.994 0.2 1 344 87 87 GLN CB C 29.508 0.2 1 345 87 87 GLN N N 120.604 0.25 1 346 88 88 GLY H H 7.93 0.03 1 347 88 88 GLY C C 176.738 0.2 1 348 88 88 GLY CA C 46.929 0.2 1 349 88 88 GLY N N 106.346 0.25 1 350 89 89 LEU H H 8.593 0.03 1 351 89 89 LEU C C 177.675 0.2 1 352 89 89 LEU CA C 57.525 0.2 1 353 89 89 LEU N N 124.192 0.25 1 354 90 90 LEU H H 8.525 0.03 1 355 90 90 LEU C C 180.216 0.2 1 356 90 90 LEU CA C 57.364 0.2 1 357 90 90 LEU N N 116.092 0.25 1 358 91 91 GLN H H 8.12 0.03 1 359 91 91 GLN C C 178.701 0.2 1 360 91 91 GLN CA C 58.805 0.2 1 361 91 91 GLN CB C 28.644 0.2 1 362 91 91 GLN N N 119.865 0.25 1 363 92 92 ALA H H 7.917 0.03 1 364 92 92 ALA C C 177.363 0.2 1 365 92 92 ALA CA C 53.547 0.2 1 366 92 92 ALA CB C 18.391 0.2 1 367 92 92 ALA N N 121.826 0.25 1 368 93 93 LEU H H 7.273 0.03 1 369 93 93 LEU C C 176.278 0.2 1 370 93 93 LEU CA C 55.353 0.2 1 371 93 93 LEU N N 115.779 0.25 1 372 94 94 GLU H H 7.949 0.03 1 373 94 94 GLU C C 176.357 0.2 1 374 94 94 GLU CA C 56.688 0.2 1 375 94 94 GLU CB C 28.222 0.2 1 376 94 94 GLU N N 116.124 0.25 1 377 95 95 GLY H H 7.758 0.03 1 378 95 95 GLY C C 173.215 0.2 1 379 95 95 GLY CA C 46.074 0.2 1 380 95 95 GLY N N 107.775 0.25 1 381 96 96 ILE H H 7.622 0.03 1 382 96 96 ILE N N 110.369 0.25 1 383 98 98 PRO C C 178.576 0.2 1 384 98 98 PRO CA C 65.379 0.2 1 385 99 99 GLU H H 9.008 0.03 1 386 99 99 GLU C C 177.274 0.2 1 387 99 99 GLU CA C 58.469 0.2 1 388 99 99 GLU N N 115.233 0.25 1 389 100 100 LEU H H 7.8 0.03 1 390 100 100 LEU C C 176.72 0.2 1 391 100 100 LEU CA C 54.021 0.2 1 392 100 100 LEU CB C 43.1 0.2 1 393 100 100 LEU N N 121.353 0.25 1 394 101 101 GLY H H 7.881 0.03 1 395 101 101 GLY CA C 49.07 0.2 1 396 101 101 GLY N N 108.52 0.25 1 397 102 102 PRO C C 178.929 0.2 1 398 102 102 PRO CA C 65.267 0.2 1 399 103 103 THR H H 7.55 0.03 1 400 103 103 THR C C 176.474 0.2 1 401 103 103 THR CA C 66.244 0.2 1 402 103 103 THR CB C 67.791 0.2 1 403 103 103 THR N N 114.714 0.25 1 404 104 104 LEU H H 8.132 0.03 1 405 104 104 LEU C C 178.319 0.2 1 406 104 104 LEU CA C 57.52 0.2 1 407 104 104 LEU N N 125.243 0.25 1 408 105 105 ASP H H 8.938 0.03 1 409 105 105 ASP C C 178.355 0.2 1 410 105 105 ASP CA C 57.392 0.2 1 411 105 105 ASP CB C 41.054 0.2 1 412 105 105 ASP N N 121.722 0.25 1 413 106 106 THR H H 7.863 0.03 1 414 106 106 THR C C 174.634 0.2 1 415 106 106 THR CA C 66.349 0.2 1 416 106 106 THR N N 116.747 0.25 1 417 107 107 LEU H H 7.399 0.03 1 418 107 107 LEU C C 177.505 0.2 1 419 107 107 LEU CA C 57.491 0.2 1 420 107 107 LEU N N 120.79 0.25 1 421 108 108 GLN H H 8.568 0.03 1 422 108 108 GLN C C 177.968 0.2 1 423 108 108 GLN CA C 59.962 0.2 1 424 108 108 GLN CB C 29.542 0.2 1 425 108 108 GLN N N 116.48 0.25 1 426 109 109 LEU H H 8.068 0.03 1 427 109 109 LEU C C 178.953 0.2 1 428 109 109 LEU CA C 57.674 0.2 1 429 109 109 LEU CB C 41.998 0.2 1 430 109 109 LEU N N 121.405 0.25 1 431 110 110 ASP H H 8.397 0.03 1 432 110 110 ASP C C 179.337 0.2 1 433 110 110 ASP CA C 56.72 0.2 1 434 110 110 ASP N N 119.923 0.25 1 435 111 111 VAL H H 8.603 0.03 1 436 111 111 VAL C C 176.567 0.2 1 437 111 111 VAL CA C 67.027 0.2 1 438 111 111 VAL N N 122.586 0.25 1 439 112 112 ALA H H 8.182 0.03 1 440 112 112 ALA C C 180.223 0.2 1 441 112 112 ALA CA C 54.887 0.2 1 442 112 112 ALA CB C 18.847 0.2 1 443 112 112 ALA N N 122.591 0.25 1 444 113 113 ASP H H 8.499 0.03 1 445 113 113 ASP C C 178.583 0.2 1 446 113 113 ASP CA C 56.913 0.2 1 447 113 113 ASP CB C 41.69 0.2 1 448 113 113 ASP N N 118.693 0.25 1 449 114 114 PHE H H 7.966 0.03 1 450 114 114 PHE C C 176.921 0.2 1 451 114 114 PHE CA C 56.885 0.2 1 452 114 114 PHE N N 121.251 0.25 1 453 115 115 ALA H H 8.729 0.03 1 454 115 115 ALA C C 179.442 0.2 1 455 115 115 ALA CA C 55.727 0.2 1 456 115 115 ALA CB C 17.701 0.2 1 457 115 115 ALA N N 121.935 0.25 1 458 116 116 THR H H 8.503 0.03 1 459 116 116 THR C C 175.716 0.2 1 460 116 116 THR CA C 66.499 0.2 1 461 116 116 THR CB C 68.309 0.2 1 462 116 116 THR N N 115.651 0.25 1 463 117 117 THR H H 8.231 0.03 1 464 117 117 THR C C 177.071 0.2 1 465 117 117 THR CA C 66.421 0.2 1 466 117 117 THR CB C 68.415 0.2 1 467 117 117 THR N N 120.565 0.25 1 468 118 118 ILE H H 8.325 0.03 1 469 118 118 ILE C C 176.415 0.2 1 470 118 118 ILE CA C 64.744 0.2 1 471 118 118 ILE CB C 43.256 0.2 1 472 118 118 ILE N N 121.526 0.25 1 473 119 119 TRP H H 8.901 0.03 1 474 119 119 TRP C C 177.355 0.2 1 475 119 119 TRP CA C 60.983 0.2 1 476 119 119 TRP N N 121.867 0.25 1 477 120 120 GLN H H 8.749 0.03 1 478 120 120 GLN C C 178.414 0.2 1 479 120 120 GLN CA C 58.557 0.2 1 480 120 120 GLN N N 115.994 0.25 1 481 121 121 GLN H H 7.696 0.03 1 482 121 121 GLN C C 178.056 0.2 1 483 121 121 GLN CA C 57.262 0.2 1 484 121 121 GLN N N 119.284 0.25 1 485 122 122 MET H H 8.212 0.03 1 486 122 122 MET C C 178.002 0.2 1 487 122 122 MET CA C 59.907 0.2 1 488 122 122 MET N N 118.582 0.25 1 489 123 123 GLU H H 8.223 0.03 1 490 123 123 GLU C C 180.273 0.2 1 491 123 123 GLU CA C 59.098 0.2 1 492 123 123 GLU CB C 30.03 0.2 1 493 123 123 GLU N N 119.867 0.25 1 494 124 124 GLU H H 8.02 0.03 1 495 124 124 GLU C C 177.865 0.2 1 496 124 124 GLU CA C 59.023 0.2 1 497 124 124 GLU CB C 30.095 0.2 1 498 124 124 GLU N N 121.389 0.25 1 499 125 125 LEU H H 7.397 0.03 1 500 125 125 LEU C C 176.669 0.2 1 501 125 125 LEU CA C 54.141 0.2 1 502 125 125 LEU CB C 42.798 0.2 1 503 125 125 LEU N N 116.155 0.25 1 504 126 126 GLY H H 7.84 0.03 1 505 126 126 GLY C C 174.907 0.2 1 506 126 126 GLY CA C 46.102 0.2 1 507 126 126 GLY N N 108.536 0.25 1 508 127 127 MET H H 7.991 0.03 1 509 127 127 MET C C 173.96 0.2 1 510 127 127 MET CA C 54.736 0.2 1 511 127 127 MET CB C 34.42 0.2 1 512 127 127 MET N N 116.589 0.25 1 513 128 128 ALA H H 7.983 0.03 1 514 128 128 ALA C C 174.516 0.2 1 515 128 128 ALA CA C 50.255 0.2 1 516 128 128 ALA CB C 17.718 0.2 1 517 128 128 ALA N N 123.872 0.25 1 518 129 129 PRO C C 175.31 0.2 1 519 129 129 PRO CA C 61.975 0.2 1 520 130 130 ALA H H 8.302 0.03 1 521 130 130 ALA C C 177.114 0.2 1 522 130 130 ALA CA C 51.986 0.2 1 523 130 130 ALA CB C 20.132 0.2 1 524 130 130 ALA N N 122.649 0.25 1 525 131 131 LEU H H 8.124 0.03 1 526 131 131 LEU C C 176.434 0.2 1 527 131 131 LEU CA C 54.115 0.2 1 528 131 131 LEU CB C 43.582 0.2 1 529 131 131 LEU N N 120.594 0.25 1 530 132 132 GLN H H 8.498 0.03 1 531 132 132 GLN C C 173.567 0.2 1 532 132 132 GLN CA C 53.07 0.2 1 533 132 132 GLN CB C 29.478 0.2 1 534 132 132 GLN N N 123.08 0.25 1 535 133 133 PRO C C 176.259 0.2 1 536 133 133 PRO CA C 62.515 0.2 1 537 133 133 PRO CB C 32.53 0.2 1 538 134 134 THR H H 8.215 0.03 1 539 134 134 THR C C 174.043 0.2 1 540 134 134 THR CA C 61.255 0.2 1 541 134 134 THR CB C 70.443 0.2 1 542 134 134 THR N N 115.245 0.25 1 543 135 135 GLN H H 8.538 0.03 1 544 135 135 GLN C C 175.776 0.2 1 545 135 135 GLN CA C 55.336 0.2 1 546 135 135 GLN CB C 30.374 0.2 1 547 135 135 GLN N N 123.699 0.25 1 548 136 136 GLY H H 8.298 0.03 1 549 136 136 GLY C C 172.379 0.2 1 550 136 136 GLY CA C 44.261 0.2 1 551 136 136 GLY N N 110.278 0.25 1 552 137 137 ALA H H 8.12 0.03 1 553 137 137 ALA C C 177.244 0.2 1 554 137 137 ALA CA C 51.67 0.2 1 555 137 137 ALA CB C 19.827 0.2 1 556 137 137 ALA N N 123.1 0.25 1 557 138 138 MET H H 8.396 0.03 1 558 138 138 MET C C 173.75 0.2 1 559 138 138 MET CA C 51.736 0.2 1 560 138 138 MET CB C 34.16 0.2 1 561 138 138 MET N N 121.614 0.25 1 562 139 139 PRO C C 173.689 0.2 1 563 139 139 PRO CA C 61.771 0.2 1 564 139 139 PRO CB C 31.863 0.2 1 565 140 140 ALA H H 7.896 0.03 1 566 140 140 ALA C C 176.206 0.2 1 567 140 140 ALA CA C 50.221 0.2 1 568 140 140 ALA CB C 20.289 0.2 1 569 140 140 ALA N N 122.361 0.25 1 570 141 141 PHE H H 8.485 0.03 1 571 141 141 PHE C C 175.105 0.2 1 572 141 141 PHE CA C 56.177 0.2 1 573 141 141 PHE CB C 40.156 0.2 1 574 141 141 PHE N N 120.532 0.25 1 575 142 142 ALA H H 8.304 0.03 1 576 142 142 ALA C C 176.746 0.2 1 577 142 142 ALA CA C 53.204 0.2 1 578 142 142 ALA CB C 20.436 0.2 1 579 142 142 ALA N N 124.792 0.25 1 580 143 143 SER H H 7.783 0.03 1 581 143 143 SER C C 173.932 0.2 1 582 143 143 SER CA C 55.597 0.2 1 583 143 143 SER CB C 67.304 0.2 1 584 143 143 SER N N 111.305 0.25 1 585 144 144 ALA CA C 55.217 0.2 1 586 145 145 PHE H H 8.751 0.03 1 587 145 145 PHE C C 179.299 0.2 1 588 145 145 PHE CA C 61.381 0.2 1 589 145 145 PHE N N 117.258 0.25 1 590 146 146 GLN H H 7.888 0.03 1 591 146 146 GLN C C 177.981 0.2 1 592 146 146 GLN CA C 59.29 0.2 1 593 146 146 GLN N N 115.985 0.25 1 594 147 147 ARG H H 7.916 0.03 1 595 147 147 ARG C C 176.849 0.2 1 596 147 147 ARG CA C 59.298 0.2 1 597 147 147 ARG N N 117.61 0.25 1 598 148 148 ARG H H 7.823 0.03 1 599 148 148 ARG C C 176.463 0.2 1 600 148 148 ARG CA C 59.173 0.2 1 601 148 148 ARG N N 118.066 0.25 1 602 149 149 ALA H H 8.209 0.03 1 603 149 149 ALA C C 179.309 0.2 1 604 149 149 ALA CA C 54.181 0.2 1 605 149 149 ALA CB C 18.767 0.2 1 606 149 149 ALA N N 119.905 0.25 1 607 150 150 GLY H H 8.274 0.03 1 608 150 150 GLY C C 174.602 0.2 1 609 150 150 GLY CA C 46.754 0.2 1 610 150 150 GLY N N 105.791 0.25 1 611 151 151 GLY H H 7.903 0.03 1 612 151 151 GLY C C 173.362 0.2 1 613 151 151 GLY CA C 47.552 0.2 1 614 151 151 GLY N N 108.752 0.25 1 615 152 152 VAL H H 7.354 0.03 1 616 152 152 VAL C C 178.475 0.2 1 617 152 152 VAL CA C 65.994 0.2 1 618 152 152 VAL N N 121.014 0.25 1 619 153 153 LEU H H 7.914 0.03 1 620 153 153 LEU C C 177.9 0.2 1 621 153 153 LEU CA C 57.715 0.2 1 622 153 153 LEU N N 119.99 0.25 1 623 154 154 VAL H H 9.143 0.03 1 624 154 154 VAL C C 177.035 0.2 1 625 154 154 VAL CA C 66.923 0.2 1 626 154 154 VAL N N 118.468 0.25 1 627 155 155 ALA H H 8.136 0.03 1 628 155 155 ALA C C 178.787 0.2 1 629 155 155 ALA CA C 55.476 0.2 1 630 155 155 ALA CB C 17.796 0.2 1 631 155 155 ALA N N 119.3 0.25 1 632 156 156 SER H H 7.838 0.03 1 633 156 156 SER C C 177.5 0.2 1 634 156 156 SER CA C 61.114 0.2 1 635 156 156 SER CB C 62.531 0.2 1 636 156 156 SER N N 113.416 0.25 1 637 157 157 HIS H H 8.695 0.03 1 638 157 157 HIS C C 178.527 0.2 1 639 157 157 HIS CA C 58.009 0.2 1 640 157 157 HIS N N 123.551 0.25 1 641 158 158 LEU H H 8.819 0.03 1 642 158 158 LEU C C 177.865 0.2 1 643 158 158 LEU CA C 57.403 0.2 1 644 158 158 LEU N N 122.019 0.25 1 645 159 159 GLN H H 8.305 0.03 1 646 159 159 GLN C C 176.384 0.2 1 647 159 159 GLN CA C 59.161 0.2 1 648 159 159 GLN N N 118.169 0.25 1 649 160 160 SER H H 7.89 0.03 1 650 160 160 SER C C 176.192 0.2 1 651 160 160 SER CA C 61.614 0.2 1 652 160 160 SER CB C 62.904 0.2 1 653 160 160 SER N N 115.976 0.25 1 654 161 161 PHE H H 8.291 0.03 1 655 161 161 PHE C C 178.232 0.2 1 656 161 161 PHE CA C 60.752 0.2 1 657 161 161 PHE N N 125.084 0.25 1 658 162 162 LEU H H 9.156 0.03 1 659 162 162 LEU C C 178.108 0.2 1 660 162 162 LEU CA C 56.595 0.2 1 661 162 162 LEU CB C 41.865 0.2 1 662 162 162 LEU N N 121.097 0.25 1 663 163 163 GLU H H 8.038 0.03 1 664 163 163 GLU C C 179.194 0.2 1 665 163 163 GLU CA C 59.278 0.2 1 666 163 163 GLU N N 121.23 0.25 1 667 164 164 VAL H H 7.357 0.03 1 668 164 164 VAL C C 177.618 0.2 1 669 164 164 VAL CA C 66.145 0.2 1 670 164 164 VAL N N 119.675 0.25 1 671 165 165 SER H H 8.1 0.03 1 672 165 165 SER C C 174.386 0.2 1 673 165 165 SER CA C 62.789 0.2 1 674 165 165 SER N N 115.531 0.25 1 675 166 166 TYR H H 8.714 0.03 1 676 166 166 TYR C C 175.707 0.2 1 677 166 166 TYR CA C 61.6 0.2 1 678 166 166 TYR N N 121.182 0.25 1 679 167 167 ARG H H 7.627 0.03 1 680 167 167 ARG C C 179.175 0.2 1 681 167 167 ARG CA C 59.345 0.2 1 682 167 167 ARG N N 117.57 0.25 1 683 168 168 VAL H H 8.439 0.03 1 684 168 168 VAL C C 177.155 0.2 1 685 168 168 VAL CA C 65.938 0.2 1 686 168 168 VAL N N 120.484 0.25 1 687 169 169 LEU H H 8.047 0.03 1 688 169 169 LEU C C 178.367 0.2 1 689 169 169 LEU CA C 57.974 0.2 1 690 169 169 LEU N N 118.532 0.25 1 691 170 170 ARG H H 8.447 0.03 1 692 170 170 ARG C C 178.44 0.2 1 693 170 170 ARG CA C 58.284 0.2 1 694 170 170 ARG N N 117.131 0.25 1 695 171 171 HIS H H 8.003 0.03 1 696 171 171 HIS C C 177.287 0.2 1 697 171 171 HIS CA C 58.577 0.2 1 698 171 171 HIS CB C 30.669 0.2 1 699 171 171 HIS N N 119.094 0.25 1 700 172 172 LEU H H 7.83 0.03 1 701 172 172 LEU C C 177.081 0.2 1 702 172 172 LEU CA C 55.882 0.2 1 703 172 172 LEU CB C 43.23 0.2 1 704 172 172 LEU N N 117.566 0.25 1 705 173 173 ALA H H 7.698 0.03 1 706 173 173 ALA C C 176.701 0.2 1 707 173 173 ALA CA C 52.173 0.2 1 708 173 173 ALA CB C 19.807 0.2 1 709 173 173 ALA N N 120.564 0.25 1 710 174 174 GLN H H 7.687 0.03 1 711 174 174 GLN C C 172.09 0.2 1 712 174 174 GLN CA C 53.328 0.2 1 713 174 174 GLN CB C 29.566 0.2 1 714 174 174 GLN N N 119.322 0.25 1 stop_ save_ save_G-CSFC3_pH7_extra_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $G-CSFC3_pH7 stop_ _Sample_conditions_label $G-CSFC3_pH7_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name G-CSFC3 _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 PRO C C 176.324 0.2 1 2 3 3 PRO CA C 62.711 0.2 1 3 3 3 PRO CB C 32.525 0.2 1 4 4 4 LEU H H 8.372 0.03 1 5 4 4 LEU C C 177.214 0.2 1 6 4 4 LEU CA C 54.733 0.2 1 7 4 4 LEU CB C 43.083 0.2 1 8 4 4 LEU N N 122.624 0.25 1 9 5 5 GLY H H 8.147 0.03 1 10 5 5 GLY CA C 44.033 0.2 1 11 5 5 GLY N N 109.439 0.25 1 12 6 6 PRO C C 176.557 0.2 1 13 6 6 PRO CA C 62.009 0.2 1 14 6 6 PRO CB C 32.531 0.2 1 stop_ save_