data_18291 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor ; _BMRB_accession_number 18291 _BMRB_flat_file_name bmr18291.str _Entry_type original _Submission_date 2012-02-23 _Accession_date 2012-02-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Human Granulocyte Colony-Stimulating Factor metGCSF' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sauve Simon . . 2 Hodgson Derek . . 3 Aubin Yves . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 157 "13C chemical shifts" 475 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-20 update BMRB 'change chemical shifts of SER O to HG' 2012-08-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18293 'Granulocyte colony-stimulating factor A29G' 18294 'Granulocyte colony-stimulating factor A30G' 18295 'Granulocyte colony-stimulating factor A37G' stop_ save_ ############################# # Citation for this entry # ############################# save_metGCSF_WT _Saveframe_category entry_citation _Citation_full . _Citation_title 'Comparability Study of the Structure of Filgrastim and Mutants using the NMR Fingerprint Assay' _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 Hodgson Derek J. . 2 Thach William B. . 3 Gingras Genevieve . . 4 Sauve Simon . . 5 Bristow Adrian F. . 6 Aubin Yves . . stop_ _Journal_abbreviation 'J. Pharm. Sci.' _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 . loop_ _Keyword Filgrastim G-CSF Neupogen 'NMR fingerprint' 'subsequent entry biologics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Granulocyte colony-stimulating factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Granulocyte colony-stimulating factor' $metGCSF 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_metGCSF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common metGCSF _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MTPLGPASSLPQSFLLKCLE QVRKIQGDGAALQEKLCATY KLCHPEELVLLGHSLGIPWA PLSSCPSQALQLAGCLSQLH SGLFLYQGLLQALEGISPEL GPTLDTLQLDVADFATTIWQ QMEELGMAPALQPTQGAMPA FASAFQRRAGGVLVASHLQS FLEVSYRVLRHLAQP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 THR 3 2 PRO 4 3 LEU 5 4 GLY 6 5 PRO 7 6 ALA 8 7 SER 9 8 SER 10 9 LEU 11 10 PRO 12 11 GLN 13 12 SER 14 13 PHE 15 14 LEU 16 15 LEU 17 16 LYS 18 17 CYS 19 18 LEU 20 19 GLU 21 20 GLN 22 21 VAL 23 22 ARG 24 23 LYS 25 24 ILE 26 25 GLN 27 26 GLY 28 27 ASP 29 28 GLY 30 29 ALA 31 30 ALA 32 31 LEU 33 32 GLN 34 33 GLU 35 34 LYS 36 35 LEU 37 36 CYS 38 37 ALA 39 38 THR 40 39 TYR 41 40 LYS 42 41 LEU 43 42 CYS 44 43 HIS 45 44 PRO 46 45 GLU 47 46 GLU 48 47 LEU 49 48 VAL 50 49 LEU 51 50 LEU 52 51 GLY 53 52 HIS 54 53 SER 55 54 LEU 56 55 GLY 57 56 ILE 58 57 PRO 59 58 TRP 60 59 ALA 61 60 PRO 62 61 LEU 63 62 SER 64 63 SER 65 64 CYS 66 65 PRO 67 66 SER 68 67 GLN 69 68 ALA 70 69 LEU 71 70 GLN 72 71 LEU 73 72 ALA 74 73 GLY 75 74 CYS 76 75 LEU 77 76 SER 78 77 GLN 79 78 LEU 80 79 HIS 81 80 SER 82 81 GLY 83 82 LEU 84 83 PHE 85 84 LEU 86 85 TYR 87 86 GLN 88 87 GLY 89 88 LEU 90 89 LEU 91 90 GLN 92 91 ALA 93 92 LEU 94 93 GLU 95 94 GLY 96 95 ILE 97 96 SER 98 97 PRO 99 98 GLU 100 99 LEU 101 100 GLY 102 101 PRO 103 102 THR 104 103 LEU 105 104 ASP 106 105 THR 107 106 LEU 108 107 GLN 109 108 LEU 110 109 ASP 111 110 VAL 112 111 ALA 113 112 ASP 114 113 PHE 115 114 ALA 116 115 THR 117 116 THR 118 117 ILE 119 118 TRP 120 119 GLN 121 120 GLN 122 121 MET 123 122 GLU 124 123 GLU 125 124 LEU 126 125 GLY 127 126 MET 128 127 ALA 129 128 PRO 130 129 ALA 131 130 LEU 132 131 GLN 133 132 PRO 134 133 THR 135 134 GLN 136 135 GLY 137 136 ALA 138 137 MET 139 138 PRO 140 139 ALA 141 140 PHE 142 141 ALA 143 142 SER 144 143 ALA 145 144 PHE 146 145 GLN 147 146 ARG 148 147 ARG 149 148 ALA 150 149 GLY 151 150 GLY 152 151 VAL 153 152 LEU 154 153 VAL 155 154 ALA 156 155 SER 157 156 HIS 158 157 LEU 159 158 GLN 160 159 SER 161 160 PHE 162 161 LEU 163 162 GLU 164 163 VAL 165 164 SER 166 165 TYR 167 166 ARG 168 167 VAL 169 168 LEU 170 169 ARG 171 170 HIS 172 171 LEU 173 172 ALA 174 173 GLN 175 174 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18293 metGCSFA30G 100.00 175 99.43 99.43 3.02e-118 BMRB 18294 metGCSFA31G 100.00 175 99.43 99.43 3.02e-118 BMRB 18295 metGCSFA38G 100.00 175 99.43 99.43 3.02e-118 PDB 1CD9 "2:2 Complex Of G-Csf With Its Receptor" 100.00 175 100.00 100.00 7.05e-119 PDB 1GNC "Structure And Dynamics Of The Human Granulocyte Colony- Stimulating Factor Determined By Nmr Spectroscopy. Loop Mobility In A F" 101.71 178 98.31 98.31 5.86e-117 PDB 1PGR "2:2 Complex Of G-Csf With Its Receptor" 100.00 175 100.00 100.00 7.05e-119 PDB 1RHG "The Structure Of Granulocyte-Colony-Stimulating Factor And Its Relationship To Those Of Other Growth Factors" 99.43 174 100.00 100.00 3.75e-118 PDB 2D9Q "Crystal Structure Of The Human Gcsf-Receptor Signaling Complex" 99.43 174 100.00 100.00 3.75e-118 DBJ BAF82936 "unnamed protein product [Homo sapiens]" 99.43 200 100.00 100.00 1.04e-117 DBJ BAG36289 "unnamed protein product [Homo sapiens]" 99.43 204 100.00 100.00 5.24e-118 DBJ BAJ21174 "colony stimulating factor 3 [synthetic construct]" 99.43 204 100.00 100.00 5.24e-118 EMBL CAA27168 "unnamed protein product [Homo sapiens]" 101.14 207 98.31 98.31 7.60e-116 EMBL CAA27290 "G-CSF protein [Homo sapiens]" 99.43 204 100.00 100.00 5.24e-118 EMBL CAA27291 "G-CSF protein [Homo sapiens]" 101.14 207 98.31 98.31 7.60e-116 EMBL CAG46689 "CSF3 [Homo sapiens]" 99.43 204 100.00 100.00 5.24e-118 GB AAA03056 "human granulocyte-colony stimulating factor, partial [Homo sapiens]" 99.43 186 100.00 100.00 6.25e-118 GB AAA35882 "granulocyte colony stimulating factor precursor [Homo sapiens]" 99.43 204 100.00 100.00 5.24e-118 GB AAH33245 "Colony stimulating factor 3 (granulocyte) [Homo sapiens]" 99.43 200 100.00 100.00 1.04e-117 GB AAK62469 "colony stimulating factor 3 (granulocyte) [Homo sapiens]" 101.14 207 98.31 98.31 7.60e-116 GB AAV38741 "colony stimulating factor 3 (granulocyte) [synthetic construct]" 99.43 205 99.43 100.00 8.04e-118 PRF 1203374A "colony stimulating factor,granulocyte" 101.14 207 98.31 98.31 7.60e-116 REF NP_000750 "granulocyte colony-stimulating factor isoform a precursor [Homo sapiens]" 101.14 207 98.31 98.31 7.60e-116 REF NP_757373 "granulocyte colony-stimulating factor isoform b precursor [Homo sapiens]" 99.43 204 100.00 100.00 5.24e-118 REF XP_002827665 "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Pongo abelii]" 99.43 204 97.70 99.43 4.52e-116 REF XP_003278307 "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Nomascus leucogenys]" 99.43 204 97.70 98.28 6.50e-115 REF XP_003831483 "PREDICTED: granulocyte colony-stimulating factor isoform X1 [Pan paniscus]" 99.43 204 100.00 100.00 5.79e-118 SP P09919 "RecName: Full=Granulocyte colony-stimulating factor; Short=G-CSF; AltName: Full=Pluripoietin; AltName: INN=Filgrastim; AltName:" 101.14 207 98.31 98.31 7.60e-116 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $metGCSF Human 9606 Eukaryota Metazoa Homo sapiens 'UniProt P09919-2 (short isoform with deletion of aminoacids 35-37 from mature protein' 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 $metGCSF 'recombinant technology' . Escherichia coli . pET15b10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 25mM Sodium Acetate pH 4.00 5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $metGCSF 1 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 25 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 8.2.15 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' 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 III' _Field_strength 600 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Granulocyte colony-stimulating factor' _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 0 1 MET C C 172.1390 0.3 1 2 0 1 MET CA C 54.9738 0.3 1 3 0 1 MET CB C 32.4522 0.3 1 4 1 2 THR H H 8.6520 0.03 1 5 1 2 THR CA C 60.1120 0.3 1 6 1 2 THR CB C 69.8827 0.3 1 7 1 2 THR N N 121.1223 0.5 1 8 2 3 PRO C C 176.6130 0.3 1 9 2 3 PRO CA C 63.0547 0.3 1 10 2 3 PRO CB C 32.0098 0.3 1 11 3 4 LEU H H 8.3202 0.03 1 12 3 4 LEU C C 177.5243 0.3 1 13 3 4 LEU CA C 55.1157 0.3 1 14 3 4 LEU CB C 42.4322 0.3 1 15 3 4 LEU N N 122.55201 0.5 1 16 4 5 GLY H H 8.1547 0.03 1 17 4 5 GLY CA C 44.3327 0.3 1 18 4 5 GLY N N 109.5217 0.5 1 19 5 6 PRO C C 176.6410 0.3 1 20 5 6 PRO CA C 62.7984 0.3 1 21 5 6 PRO CB C 33.3061 0.3 1 22 6 7 ALA H H 8.5029 0.03 1 23 6 7 ALA C C 177.5026 0.3 1 24 6 7 ALA CA C 52.6292 0.3 1 25 6 7 ALA CB C 19.1400 0.3 1 26 6 7 ALA N N 124.1996 0.5 1 27 7 8 SER H H 8.2585 0.03 1 28 7 8 SER C C 173.8690 0.3 1 29 7 8 SER CA C 58.4383 0.3 1 30 7 8 SER CB C 64.0013 0.3 1 31 7 8 SER N N 114.4209 0.5 1 32 8 9 SER H H 8.0089 0.03 1 33 8 9 SER HG H 8.2024 0 1 34 8 9 SER C C 173.4785 0.3 1 35 8 9 SER CA C 58.0051 0.3 1 36 8 9 SER CB C 64.4118 0.3 1 37 8 9 SER N N 116.3642 0.5 1 38 9 10 LEU H H 8.3922 0.03 1 39 9 10 LEU CA C 51.9086 0.3 1 40 9 10 LEU CB C 42.4900 0.3 1 41 9 10 LEU N N 122.0369 0.5 1 42 10 11 PRO C C 178.0498 0.3 1 43 10 11 PRO CA C 62.6467 0.3 1 44 10 11 PRO CB C 31.8480 0.3 1 45 11 12 GLN H H 9.0636 0.03 1 46 11 12 GLN C C 178.09995 0.3 1 47 11 12 GLN CA C 59.3523 0.3 1 48 11 12 GLN CB C 28.1416 0.3 1 49 11 12 GLN N N 125.4464 0.5 1 50 12 13 SER H H 8.4559 0.03 1 51 12 13 SER HG H 8.3708 0 1 52 12 13 SER C C 177.06441 0.3 1 53 12 13 SER CB C 61.5608 0.3 1 54 12 13 SER N N 112.4321 0.5 1 55 13 14 PHE H H 6.9881 0.03 1 56 13 14 PHE C C 176.6750 0.3 1 57 13 14 PHE CA C 60.1019 0.3 1 58 13 14 PHE CB C 39.1997 0.3 1 59 13 14 PHE N N 122.9490 0.5 1 60 14 15 LEU H H 7.6581 0.03 1 61 14 15 LEU C C 178.4287 0.3 1 62 14 15 LEU CA C 58.2598 0.3 1 63 14 15 LEU CB C 41.6880 0.3 1 64 14 15 LEU N N 121.3924 0.5 1 65 15 16 LEU H H 8.4207 0.03 1 66 15 16 LEU C C 179.9274 0.3 1 67 15 16 LEU CA C 58.1742 0.3 1 68 15 16 LEU CB C 41.0335 0.3 1 69 15 16 LEU N N 117.1050 0.5 1 70 16 17 LYS H H 7.4693 0.03 1 71 16 17 LYS C C 179.1222 0.3 1 72 16 17 LYS CA C 59.2484 0.3 1 73 16 17 LYS CB C 31.7365 0.3 1 74 16 17 LYS N N 120.7420 0.5 1 75 17 18 CYS H H 8.0654 0.03 1 76 17 18 CYS C C 176.5988 0.3 1 77 17 18 CYS CA C 64.0416 0.3 1 78 17 18 CYS CB C 27.7642 0.3 1 79 17 18 CYS N N 116.6790 0.5 1 80 18 19 LEU H H 8.0837 0.03 1 81 18 19 LEU C C 179.0168 0.3 1 82 18 19 LEU CA C 58.6347 0.3 1 83 18 19 LEU CB C 40.8363 0.3 1 84 18 19 LEU N N 118.8631 0.5 1 85 19 20 GLU H H 7.5692 0.03 1 86 19 20 GLU C C 179.3011 0.3 1 87 19 20 GLU CA C 58.8540 0.3 1 88 19 20 GLU CB C 28.2739 0.3 1 89 19 20 GLU N N 118.3032 0.5 1 90 20 21 GLN H H 8.1124 0.03 1 91 20 21 GLN C C 178.6334 0.3 1 92 20 21 GLN CA C 59.3216 0.3 1 93 20 21 GLN CB C 27.6387 0.3 1 94 20 21 GLN N N 120.8980 0.5 1 95 21 22 VAL H H 8.3802 0.03 1 96 21 22 VAL C C 177.3914 0.3 1 97 21 22 VAL CA C 67.5478 0.3 1 98 21 22 VAL CB C 31.1559 0.3 1 99 21 22 VAL N N 119.7129 0.5 1 100 22 23 ARG H H 7.5237 0.03 1 101 22 23 ARG C C 179.7464 0.3 1 102 22 23 ARG CA C 58.8432 0.3 1 103 22 23 ARG CB C 29.7854 0.3 1 104 22 23 ARG N N 117.7260 0.5 1 105 23 24 LYS H H 7.8296 0.03 1 106 23 24 LYS C C 179.0314 0.3 1 107 23 24 LYS CA C 59.2464 0.3 1 108 23 24 LYS CB C 32.7713 0.3 1 109 23 24 LYS N N 121.7632 0.5 1 110 24 25 ILE H H 8.1865 0.03 1 111 24 25 ILE C C 177.1740 0.3 1 112 24 25 ILE CA C 65.0398 0.3 1 113 24 25 ILE CB C 37.1495 0.3 1 114 24 25 ILE N N 119.5047 0.5 1 115 25 26 GLN H H 8.7435 0.03 1 116 25 26 GLN C C 180.3196 0.3 1 117 25 26 GLN CA C 59.3795 0.3 1 118 25 26 GLN CB C 28.5986 0.3 1 119 25 26 GLN N N 121.6978 0.5 1 120 26 27 GLY H H 7.9555 0.03 1 121 26 27 GLY C C 176.9497 0.3 1 122 26 27 GLY CA C 47.0911 0.3 1 123 26 27 GLY N N 107.6045 0.5 1 124 27 28 ASP H H 8.3773 0.03 1 125 27 28 ASP C C 179.5119 0.3 1 126 27 28 ASP CA C 55.7854 0.3 1 127 27 28 ASP CB C 39.3600 0.3 1 128 27 28 ASP N N 124.1398 0.5 1 129 28 29 GLY H H 9.2427 0.03 1 130 28 29 GLY CA C 46.7557 0.3 1 131 28 29 GLY N N 109.5566 0.5 1 132 29 30 ALA C C 174.9988 0.3 1 133 30 31 ALA H H 8.1709 0.03 1 134 30 31 ALA C C 180.4362 0.3 1 135 30 31 ALA CA C 54.9655 0.3 1 136 30 31 ALA CB C 17.6428 0.3 1 137 30 31 ALA N N 125.6114 0.5 1 138 31 32 LEU H H 7.5243 0.03 1 139 31 32 LEU C C 177.8584 0.3 1 140 31 32 LEU CA C 58.2207 0.3 1 141 31 32 LEU CB C 41.5459 0.3 1 142 31 32 LEU N N 118.6138 0.5 1 143 32 33 GLN H H 8.4205 0.03 1 144 32 33 GLN C C 179.1516 0.3 1 145 32 33 GLN CA C 60.0398 0.3 1 146 32 33 GLN CB C 29.3034 0.3 1 147 32 33 GLN N N 117.8790 0.5 1 148 33 34 GLU H H 8.6330 0.03 1 149 33 34 GLU C C 178.8559 0.3 1 150 33 34 GLU CA C 59.2204 0.3 1 151 33 34 GLU CB C 27.7006 0.3 1 152 33 34 GLU N N 120.3574 0.5 1 153 34 35 LYS H H 8.0092 0.03 1 154 34 35 LYS C C 180.3078 0.3 1 155 34 35 LYS CA C 59.2097 0.3 1 156 34 35 LYS CB C 32.5502 0.3 1 157 34 35 LYS N N 120.4419 0.5 1 158 35 36 LEU H H 8.5430 0.03 1 159 35 36 LEU C C 178.9272 0.3 1 160 35 36 LEU CA C 58.8475 0.3 1 161 35 36 LEU CB C 41.6857 0.3 1 162 35 36 LEU N N 122.0486 0.5 1 163 36 37 CYS H H 7.8771 0.03 1 164 36 37 CYS C C 176.9599 0.3 1 165 36 37 CYS CA C 57.0144 0.3 1 166 36 37 CYS CB C 37.9360 0.3 1 167 36 37 CYS N N 118.0926 0.5 1 168 37 38 ALA H H 8.7607 0.03 1 169 37 38 ALA C C 179.3554 0.3 1 170 37 38 ALA CA C 55.1712 0.3 1 171 37 38 ALA CB C 18.7942 0.3 1 172 37 38 ALA N N 123.2651 0.5 1 173 38 39 THR H H 8.1248 0.03 1 174 38 39 THR C C 175.2434 0.3 1 175 38 39 THR CA C 65.6555 0.3 1 176 38 39 THR CB C 69.3714 0.3 1 177 38 39 THR N N 110.2997 0.5 1 178 39 40 TYR H H 7.0610 0.03 1 179 39 40 TYR C C 174.5590 0.3 1 180 39 40 TYR CA C 56.8537 0.3 1 181 39 40 TYR CB C 39.4129 0.3 1 182 39 40 TYR N N 115.5601 0.5 1 183 40 41 LYS H H 7.6169 0.03 1 184 40 41 LYS C C 176.0637 0.3 1 185 40 41 LYS CA C 57.6393 0.3 1 186 40 41 LYS CB C 28.3820 0.3 1 187 40 41 LYS N N 114.3457 0.5 1 188 41 42 LEU H H 6.9094 0.03 1 189 41 42 LEU C C 175.3358 0.3 1 190 41 42 LEU CA C 53.4087 0.3 1 191 41 42 LEU CB C 41.9083 0.3 1 192 41 42 LEU N N 121.3317 0.5 1 193 42 43 CYS H H 8.0182 0.03 1 194 42 43 CYS CA C 56.9513 0.3 1 195 42 43 CYS CB C 42.3314 0.3 1 196 42 43 CYS N N 118.4958 0.5 1 197 44 45 PRO C C 177.7481 0.3 1 198 44 45 PRO CA C 62.7564 0.3 1 199 45 46 GLU H H 8.0705 0.03 1 200 45 46 GLU C C 177.9809 0.3 1 201 45 46 GLU CA C 59.2206 0.3 1 202 45 46 GLU CB C 27.6428 0.3 1 203 45 46 GLU N N 120.8981 0.5 1 204 46 47 GLU H H 7.5810 0.03 1 205 46 47 GLU C C 177.1098 0.3 1 206 46 47 GLU CA C 56.9563 0.3 1 207 46 47 GLU CB C 29.4052 0.3 1 208 46 47 GLU N N 117.2580 0.5 1 209 47 48 LEU H H 7.6371 0.03 1 210 47 48 LEU C C 176.5733 0.3 1 211 47 48 LEU CA C 53.9362 0.3 1 212 47 48 LEU CB C 42.3493 0.3 1 213 47 48 LEU N N 118.3376 0.5 1 214 48 49 VAL H H 7.0936 0.03 1 215 48 49 VAL C C 178.2778 0.3 1 216 48 49 VAL CA C 65.6933 0.3 1 217 48 49 VAL CB C 31.8385 0.3 1 218 48 49 VAL N N 119.3736 0.5 1 219 49 50 LEU H H 8.5027 0.03 1 220 49 50 LEU C C 179.6926 0.3 1 221 49 50 LEU CA C 58.1435 0.3 1 222 49 50 LEU CB C 40.5571 0.3 1 223 49 50 LEU N N 121.8697 0.5 1 224 50 51 LEU H H 7.9242 0.03 1 225 50 51 LEU C C 179.3625 0.3 1 226 50 51 LEU CA C 57.3394 0.3 1 227 50 51 LEU CB C 41.0458 0.3 1 228 50 51 LEU N N 122.3075 0.5 1 229 51 52 GLY H H 8.2562 0.03 1 230 51 52 GLY C C 175.9533 0.3 1 231 51 52 GLY CA C 48.0221 0.3 1 232 51 52 GLY N N 105.4139 0.5 1 233 52 53 HIS H H 7.9775 0.03 1 234 52 53 HIS C C 177.2253 0.3 1 235 52 53 HIS CA C 57.9274 0.3 1 236 52 53 HIS CB C 28.1760 0.3 1 237 52 53 HIS N N 118.5258 0.5 1 238 53 54 SER H H 8.4991 0.03 1 239 53 54 SER C C 175.8807 0.3 1 240 53 54 SER CA C 61.0813 0.3 1 241 53 54 SER CB C 62.8960 0.3 1 242 53 54 SER N N 117.1628 0.5 1 243 54 55 LEU H H 8.0406 0.03 1 244 54 55 LEU C C 177.4235 0.3 1 245 54 55 LEU CA C 55.3938 0.3 1 246 54 55 LEU CB C 42.9082 0.3 1 247 54 55 LEU N N 119.6157 0.5 1 248 55 56 GLY H H 7.5334 0.03 1 249 55 56 GLY C C 174.6359 0.3 1 250 55 56 GLY CA C 46.4678 0.3 1 251 55 56 GLY N N 107.0268 0.5 1 252 56 57 ILE H H 7.3662 0.03 1 253 56 57 ILE CA C 59.1937 0.3 1 254 56 57 ILE CB C 38.1784 0.3 1 255 56 57 ILE N N 119.5264 0.5 1 256 57 58 PRO C C 174.3832 0.3 1 257 57 58 PRO CA C 61.6261 0.3 1 258 57 58 PRO CB C 31.1487 0.3 1 259 58 59 TRP H H 7.7738 0.03 1 260 58 59 TRP C C 176.2669 0.3 1 261 58 59 TRP CA C 55.0740 0.3 1 262 58 59 TRP CB C 30.3446 0.3 1 263 58 59 TRP N N 120.1639 0.5 1 264 59 60 ALA H H 7.2145 0.03 1 265 59 60 ALA CA C 50.0528 0.3 1 266 59 60 ALA CB C 20.0504 0.3 1 267 59 60 ALA N N 126.2159 0.5 1 268 60 61 PRO C C 176.2366 0.3 1 269 60 61 PRO CA C 62.2187 0.3 1 270 60 61 PRO CB C 33.4250 0.3 1 271 61 62 LEU H H 8.5226 0.03 1 272 61 62 LEU C C 178.0305 0.3 1 273 61 62 LEU CA C 54.4692 0.3 1 274 61 62 LEU CB C 42.4693 0.3 1 275 61 62 LEU N N 120.6716 0.5 1 276 62 63 SER H H 7.4441 0.03 1 277 62 63 SER C C 175.9762 0.3 1 278 62 63 SER CA C 59.3732 0.3 1 279 62 63 SER CB C 63.4634 0.3 1 280 62 63 SER N N 116.2033 0.5 1 281 63 64 SER H H 9.7399 0.03 1 282 63 64 SER C C 173.0742 0.3 1 283 63 64 SER CA C 58.6951 0.3 1 284 63 64 SER CB C 62.9267 0.3 1 285 63 64 SER N N 118.5279 0.5 1 286 64 65 CYS H H 7.9127 0.03 1 287 64 65 CYS CA C 53.4642 0.3 1 288 64 65 CYS CB C 43.4190 0.3 1 289 64 65 CYS N N 118.0689 0.5 1 290 65 66 PRO C C 176.0391 0.3 1 291 65 66 PRO CA C 63.5054 0.3 1 292 65 66 PRO CB C 32.2921 0.3 1 293 66 67 SER H H 8.2844 0.03 1 294 66 67 SER C C 174.6228 0.3 1 295 66 67 SER CA C 60.3261 0.3 1 296 66 67 SER CB C 63.1678 0.3 1 297 66 67 SER N N 113.1482 0.5 1 298 67 68 GLN H H 7.7755 0.03 1 299 67 68 GLN C C 174.5912 0.3 1 300 67 68 GLN CA C 55.2773 0.3 1 301 67 68 GLN CB C 29.6810 0.3 1 302 67 68 GLN N N 117.9540 0.5 1 303 68 69 ALA H H 8.3349 0.03 1 304 68 69 ALA C C 176.1785 0.3 1 305 68 69 ALA CA C 52.4887 0.3 1 306 68 69 ALA CB C 17.4826 0.3 1 307 68 69 ALA N N 123.4353 0.5 1 308 69 70 LEU H H 7.7381 0.03 1 309 69 70 LEU C C 176.8110 0.3 1 310 69 70 LEU CA C 56.5618 0.3 1 311 69 70 LEU CB C 42.0712 0.3 1 312 69 70 LEU N N 120.6318 0.5 1 313 70 71 GLN H H 8.7525 0.03 1 314 70 71 GLN C C 175.9599 0.3 1 315 70 71 GLN CA C 54.5200 0.3 1 316 70 71 GLN CB C 28.6746 0.3 1 317 70 71 GLN N N 125.7662 0.5 1 318 71 72 LEU H H 8.6198 0.03 1 319 71 72 LEU C C 177.7775 0.3 1 320 71 72 LEU CA C 59.1079 0.3 1 321 71 72 LEU CB C 42.1438 0.3 1 322 71 72 LEU N N 126.2342 0.5 1 323 72 73 ALA H H 8.8370 0.03 1 324 72 73 ALA C C 180.6543 0.3 1 325 72 73 ALA CA C 56.2658 0.3 1 326 72 73 ALA CB C 17.6782 0.3 1 327 72 73 ALA N N 120.0952 0.5 1 328 73 74 GLY H H 7.8173 0.03 1 329 73 74 GLY C C 176.0450 0.3 1 330 73 74 GLY CA C 46.9440 0.3 1 331 73 74 GLY N N 105.8788 0.5 1 332 74 75 CYS H H 8.1862 0.03 1 333 74 75 CYS C C 176.0802 0.3 1 334 74 75 CYS CA C 58.5254 0.3 1 335 74 75 CYS CB C 38.8282 0.3 1 336 74 75 CYS N N 120.2914 0.5 1 337 75 76 LEU H H 8.7381 0.03 1 338 75 76 LEU C C 178.8094 0.3 1 339 75 76 LEU CA C 58.5891 0.3 1 340 75 76 LEU CB C 40.5475 0.3 1 341 75 76 LEU N N 117.6004 0.5 1 342 76 77 SER H H 8.1270 0.03 1 343 76 77 SER C C 174.9266 0.3 1 344 76 77 SER CA C 59.5097 0.3 1 345 76 77 SER CB C 63.3510 0.3 1 346 76 77 SER N N 111.9514 0.5 1 347 77 78 GLN H H 8.1219 0.03 1 348 77 78 GLN C C 180.3370 0.3 1 349 77 78 GLN CA C 59.7696 0.3 1 350 77 78 GLN CB C 29.0042 0.3 1 351 77 78 GLN N N 119.5472 0.5 1 352 78 79 LEU H H 8.9558 0.03 1 353 78 79 LEU C C 178.4616 0.3 1 354 78 79 LEU CA C 58.8351 0.3 1 355 78 79 LEU CB C 42.1911 0.3 1 356 78 79 LEU N N 124.4747 0.5 1 357 79 80 HIS H H 8.9270 0.03 1 358 79 80 HIS C C 176.3051 0.3 1 359 79 80 HIS CA C 62.5849 0.3 1 360 79 80 HIS CB C 28.3660 0.3 1 361 79 80 HIS N N 116.4360 0.5 1 362 80 81 SER H H 9.1175 0.03 1 363 80 81 SER C C 177.5622 0.3 1 364 80 81 SER CB C 62.3782 0.3 1 365 80 81 SER N N 114.9584 0.5 1 366 81 82 GLY H H 8.5714 0.03 1 367 81 82 GLY C C 174.5990 0.3 1 368 81 82 GLY CA C 48.0752 0.3 1 369 81 82 GLY N N 111.3064 0.5 1 370 82 83 LEU H H 8.0501 0.03 1 371 82 83 LEU C C 178.1512 0.3 1 372 82 83 LEU CA C 58.1827 0.3 1 373 82 83 LEU CB C 42.2759 0.3 1 374 82 83 LEU N N 121.2804 0.5 1 375 83 84 PHE H H 8.0987 0.03 1 376 83 84 PHE C C 178.4563 0.3 1 377 83 84 PHE CA C 60.3341 0.3 1 378 83 84 PHE CB C 38.7166 0.3 1 379 83 84 PHE N N 119.2781 0.5 1 380 84 85 LEU H H 7.9188 0.03 1 381 84 85 LEU C C 175.5859 0.3 1 382 84 85 LEU CA C 58.6272 0.3 1 383 84 85 LEU CB C 40.8996 0.3 1 384 84 85 LEU N N 122.9934 0.5 1 385 85 86 TYR H H 7.8934 0.03 1 386 85 86 TYR C C 178.6673 0.3 1 387 85 86 TYR CA C 64.7262 0.3 1 388 85 86 TYR CB C 37.5565 0.3 1 389 85 86 TYR N N 122.5872 0.5 1 390 86 87 GLN H H 8.7959 0.03 1 391 86 87 GLN C C 178.6137 0.3 1 392 86 87 GLN CA C 60.3173 0.3 1 393 86 87 GLN CB C 28.8118 0.3 1 394 86 87 GLN N N 119.9188 0.5 1 395 87 88 GLY H H 7.6482 0.03 1 396 87 88 GLY CA C 47.2116 0.3 1 397 87 88 GLY N N 107.3400 0.5 1 398 88 89 LEU C C 178.0308 0.3 1 399 88 89 LEU CA C 57.9143 0.3 1 400 88 89 LEU CB C 43.0643 0.3 1 401 89 90 LEU H H 8.3961 0.03 1 402 89 90 LEU C C 180.2585 0.3 1 403 89 90 LEU CA C 57.5937 0.3 1 404 89 90 LEU CB C 41.6299 0.3 1 405 89 90 LEU N N 115.4351 0.5 1 406 90 91 GLN H H 7.9072 0.03 1 407 90 91 GLN C C 178.7328 0.3 1 408 90 91 GLN CA C 58.7807 0.3 1 409 90 91 GLN CB C 28.2120 0.3 1 410 90 91 GLN N N 119.6084 0.5 1 411 91 92 ALA H H 7.8200 0.03 1 412 91 92 ALA C C 177.8478 0.3 1 413 91 92 ALA CA C 53.9809 0.3 1 414 91 92 ALA CB C 17.6941 0.3 1 415 91 92 ALA N N 121.6106 0.5 1 416 92 93 LEU H H 7.1599 0.03 1 417 92 93 LEU C C 176.6488 0.3 1 418 92 93 LEU CA C 55.7137 0.3 1 419 92 93 LEU CB C 41.1930 0.3 1 420 92 93 LEU N N 115.7877 0.5 1 421 93 94 GLU H H 7.8707 0.03 1 422 93 94 GLU C C 176.6483 0.3 1 423 93 94 GLU CA C 56.2966 0.3 1 424 93 94 GLU CB C 26.3046 0.3 1 425 93 94 GLU N N 115.1228 0.5 1 426 94 95 GLY H H 8.9635 0.03 1 427 94 95 GLY C C 173.7378 0.3 1 428 94 95 GLY CA C 46.1926 0.3 1 429 94 95 GLY N N 107.3066 0.5 1 430 95 96 ILE H H 7.5381 0.03 1 431 95 96 ILE N N 110.3982 0.5 1 432 97 98 PRO C C 179.0361 0.3 1 433 97 98 PRO CA C 65.7242 0.3 1 434 97 98 PRO CB C 31.7047 0.3 1 435 98 99 GLU H H 8.8860 0.03 1 436 98 99 GLU C C 177.3659 0.3 1 437 98 99 GLU CA C 58.7137 0.3 1 438 98 99 GLU CB C 28.2188 0.3 1 439 98 99 GLU N N 115.2638 0.5 1 440 99 100 LEU H H 7.7118 0.03 1 441 99 100 LEU C C 176.9788 0.3 1 442 99 100 LEU CA C 54.1700 0.3 1 443 99 100 LEU CB C 42.3869 0.3 1 444 99 100 LEU N N 121.3819 0.5 1 445 100 101 GLY H H 7.8459 0.03 1 446 100 101 GLY CA C 49.2331 0.3 1 447 100 101 GLY N N 108.2216 0.5 1 448 101 102 PRO C C 179.1970 0.3 1 449 101 102 PRO CA C 65.7394 0.3 1 450 101 102 PRO CB C 31.7311 0.3 1 451 102 103 THR H H 7.5094 0.03 1 452 102 103 THR C C 177.0570 0.3 1 453 102 103 THR CA C 66.7301 0.3 1 454 102 103 THR CB C 68.5118 0.3 1 455 102 103 THR N N 114.2607 0.5 1 456 103 104 LEU H H 8.1901 0.03 1 457 103 104 LEU C C 178.0178 0.3 1 458 103 104 LEU CA C 57.8220 0.3 1 459 103 104 LEU CB C 41.0964 0.3 1 460 103 104 LEU N N 124.8704 0.5 1 461 104 105 ASP H H 9.0164 0.03 1 462 104 105 ASP C C 178.0744 0.3 1 463 104 105 ASP CA C 56.8904 0.3 1 464 104 105 ASP CB C 38.6590 0.3 1 465 104 105 ASP N N 120.3645 0.5 1 466 105 106 THR H H 7.8474 0.03 1 467 105 106 THR C C 174.6756 0.3 1 468 105 106 THR CA C 66.9577 0.3 1 469 105 106 THR CB C 69.2506 0.3 1 470 105 106 THR N N 116.9552 0.5 1 471 106 107 LEU H H 7.1159 0.03 1 472 106 107 LEU C C 177.6277 0.3 1 473 106 107 LEU CA C 57.8762 0.3 1 474 106 107 LEU CB C 42.1529 0.3 1 475 106 107 LEU N N 120.3268 0.5 1 476 107 108 GLN H H 8.6577 0.03 1 477 107 108 GLN C C 178.3587 0.3 1 478 107 108 GLN CA C 60.4801 0.3 1 479 107 108 GLN CB C 29.4111 0.3 1 480 107 108 GLN N N 116.7932 0.5 1 481 108 109 LEU H H 8.1585 0.03 1 482 108 109 LEU C C 179.2421 0.3 1 483 108 109 LEU CA C 58.1237 0.3 1 484 108 109 LEU CB C 41.5761 0.3 1 485 108 109 LEU N N 121.2288 0.5 1 486 109 110 ASP H H 8.3004 0.03 1 487 109 110 ASP C C 180.0647 0.3 1 488 109 110 ASP CA C 56.9542 0.3 1 489 109 110 ASP CB C 38.7827 0.3 1 490 109 110 ASP N N 119.4775 0.5 1 491 110 111 VAL H H 8.5572 0.03 1 492 110 111 VAL CA C 67.6866 0.3 1 493 110 111 VAL CB C 31.6883 0.3 1 494 110 111 VAL N N 122.7318 0.5 1 495 111 112 ALA C C 180.7430 0.3 1 496 111 112 ALA CB C 18.20201 0.3 1 497 112 113 ASP H H 8.6078 0.03 1 498 112 113 ASP C C 178.5038 0.3 1 499 112 113 ASP CA C 56.7334 0.3 1 500 112 113 ASP CB C 39.3833 0.3 1 501 112 113 ASP N N 117.7855 0.5 1 502 113 114 PHE H H 7.8868 0.03 1 503 113 114 PHE C C 177.1881 0.3 1 504 113 114 PHE CA C 56.9419 0.3 1 505 113 114 PHE CB C 39.5622 0.3 1 506 113 114 PHE N N 122.0087 0.5 1 507 114 115 ALA H H 8.8016 0.03 1 508 114 115 ALA C C 180.2548 0.3 1 509 114 115 ALA CA C 56.3677 0.3 1 510 114 115 ALA CB C 17.1193 0.3 1 511 114 115 ALA N N 121.3771 0.5 1 512 115 116 THR H H 8.6803 0.03 1 513 115 116 THR C C 175.9130 0.3 1 514 115 116 THR CA C 66.9618 0.3 1 515 115 116 THR CB C 68.7116 0.3 1 516 115 116 THR N N 116.4238 0.5 1 517 116 117 THR H H 8.3910 0.03 1 518 116 117 THR C C 177.6657 0.3 1 519 116 117 THR CA C 67.3719 0.3 1 520 116 117 THR CB C 68.7591 0.3 1 521 116 117 THR N N 121.3343 0.5 1 522 117 118 ILE H H 8.1933 0.03 1 523 117 118 ILE CA C 65.1530 0.3 1 524 117 118 ILE CB C 37.5152 0.3 1 525 117 118 ILE N N 120.4312 0.5 1 526 118 119 TRP C C 177.6366 0.3 1 527 118 119 TRP CA C 60.6175 0.3 1 528 118 119 TRP CB C 29.7757 0.3 1 529 119 120 GLN H H 8.8999 0.03 1 530 119 120 GLN C C 178.7386 0.3 1 531 119 120 GLN CA C 58.7306 0.3 1 532 119 120 GLN CB C 27.9578 0.3 1 533 119 120 GLN N N 115.9023 0.5 1 534 120 121 GLN H H 7.4209 0.03 1 535 120 121 GLN C C 178.3926 0.3 1 536 120 121 GLN CA C 57.6595 0.3 1 537 120 121 GLN CB C 29.8150 0.3 1 538 120 121 GLN N N 119.4657 0.5 1 539 121 122 MET H H 8.2052 0.03 1 540 121 122 MET C C 178.4278 0.3 1 541 121 122 MET CA C 60.0347 0.3 1 542 121 122 MET CB C 32.8811 0.3 1 543 121 122 MET N N 118.3959 0.5 1 544 122 123 GLU H H 8.1816 0.03 1 545 122 123 GLU C C 180.1041 0.3 1 546 122 123 GLU CA C 58.6240 0.3 1 547 122 123 GLU CB C 27.6917 0.3 1 548 122 123 GLU N N 118.4604 0.5 1 549 123 124 GLU H H 7.8041 0.03 1 550 123 124 GLU C C 177.7343 0.3 1 551 123 124 GLU CA C 58.6852 0.3 1 552 123 124 GLU CB C 28.0548 0.3 1 553 123 124 GLU N N 120.6085 0.5 1 554 124 125 LEU H H 7.3333 0.03 1 555 124 125 LEU C C 176.9585 0.3 1 556 124 125 LEU CA C 54.5536 0.3 1 557 124 125 LEU CB C 42.3760 0.3 1 558 124 125 LEU N N 116.1600 0.5 1 559 125 126 GLY H H 7.6616 0.03 1 560 125 126 GLY C C 175.1454 0.3 1 561 125 126 GLY CA C 46.3404 0.3 1 562 125 126 GLY N N 108.2036 0.5 1 563 126 127 MET H H 7.9137 0.03 1 564 126 127 MET C C 174.2355 0.3 1 565 126 127 MET CA C 55.1008 0.3 1 566 126 127 MET CB C 33.5938 0.3 1 567 126 127 MET N N 116.1403 0.5 1 568 127 128 ALA H H 7.6485 0.03 1 569 127 128 ALA CA C 49.9472 0.3 1 570 127 128 ALA CB C 17.6608 0.3 1 571 127 128 ALA N N 123.4382 0.5 1 572 128 129 PRO C C 175.5688 0.3 1 573 128 129 PRO CA C 62.1874 0.3 1 574 128 129 PRO CB C 31.8484 0.3 1 575 129 130 ALA H H 8.2144 0.03 1 576 129 130 ALA C C 177.6817 0.3 1 577 129 130 ALA CA C 52.8546 0.3 1 578 129 130 ALA CB C 18.9270 0.3 1 579 129 130 ALA N N 122.2993 0.5 1 580 130 131 LEU H H 7.8836 0.03 1 581 130 131 LEU C C 177.0660 0.3 1 582 130 131 LEU CA C 55.1109 0.3 1 583 130 131 LEU CB C 41.8988 0.3 1 584 130 131 LEU N N 119.6615 0.5 1 585 131 132 GLN H H 8.0923 0.03 1 586 131 132 GLN CA C 56.2847 0.3 1 587 131 132 GLN CB C 32.9410 0.3 1 588 131 132 GLN N N 122.3084 0.5 1 589 132 133 PRO C C 176.1899 0.3 1 590 132 133 PRO CA C 62.7167 0.3 1 591 132 133 PRO CB C 31.8000 0.3 1 592 133 134 THR H H 8.1751 0.03 1 593 133 134 THR C C 174.3541 0.3 1 594 133 134 THR CA C 61.5694 0.3 1 595 133 134 THR CB C 70.0148 0.3 1 596 133 134 THR N N 114.9828 0.5 1 597 134 135 GLN H H 8.6659 0.03 1 598 134 135 GLN C C 176.2329 0.3 1 599 134 135 GLN CA C 55.8058 0.3 1 600 134 135 GLN CB C 29.8850 0.3 1 601 134 135 GLN N N 124.4357 0.5 1 602 135 136 GLY H H 8.2938 0.03 1 603 135 136 GLY C C 172.5202 0.3 1 604 135 136 GLY CA C 44.1979 0.3 1 605 135 136 GLY N N 111.4667 0.5 1 606 136 137 ALA H H 8.0827 0.03 1 607 136 137 ALA C C 177.6322 0.3 1 608 136 137 ALA CA C 52.3117 0.3 1 609 136 137 ALA CB C 18.8088 0.3 1 610 136 137 ALA N N 122.6720 0.5 1 611 137 138 MET H H 8.3330 0.03 1 612 137 138 MET CA C 52.1815 0.3 1 613 137 138 MET CB C 34.1686 0.3 1 614 137 138 MET N N 121.8370 0.5 1 615 138 139 PRO C C 173.9630 0.3 1 616 138 139 PRO CA C 62.0001 0.3 1 617 138 139 PRO CB C 31.1299 0.3 1 618 139 140 ALA H H 7.8797 0.03 1 619 139 140 ALA C C 176.5380 0.3 1 620 139 140 ALA CA C 50.6089 0.3 1 621 139 140 ALA CB C 19.3350 0.3 1 622 139 140 ALA N N 122.2061 0.5 1 623 140 141 PHE H H 8.3872 0.03 1 624 140 141 PHE C C 175.2466 0.3 1 625 140 141 PHE CA C 56.4266 0.3 1 626 140 141 PHE CB C 38.9281 0.3 1 627 140 141 PHE N N 120.6440 0.5 1 628 141 142 ALA H H 8.1211 0.03 1 629 141 142 ALA C C 177.3270 0.3 1 630 141 142 ALA CA C 54.0513 0.3 1 631 141 142 ALA CB C 19.9786 0.3 1 632 141 142 ALA N N 124.8539 0.5 1 633 142 143 SER H H 7.8265 0.03 1 634 142 143 SER C C 174.1754 0.3 1 635 142 143 SER CA C 55.8579 0.3 1 636 142 143 SER CB C 66.7736 0.3 1 637 142 143 SER N N 111.7120 0.5 1 638 143 144 ALA H H 8.9785 0.03 1 639 143 144 ALA C C 179.8316 0.3 1 640 143 144 ALA CA C 55.7607 0.3 1 641 143 144 ALA CB C 17.5390 0.3 1 642 143 144 ALA N N 124.4909 0.5 1 643 144 145 PHE H H 8.6778 0.03 1 644 144 145 PHE C C 176.8513 0.3 1 645 144 145 PHE CA C 61.7588 0.3 1 646 144 145 PHE CB C 39.0023 0.3 1 647 144 145 PHE N N 117.0934 0.5 1 648 145 146 GLN H H 7.8564 0.03 1 649 145 146 GLN C C 178.4927 0.3 1 650 145 146 GLN CA C 59.8631 0.3 1 651 145 146 GLN CB C 28.2385 0.3 1 652 145 146 GLN N N 115.9402 0.5 1 653 146 147 ARG H H 7.9261 0.03 1 654 146 147 ARG C C 177.2842 0.3 1 655 146 147 ARG CA C 59.9181 0.3 1 656 146 147 ARG CB C 30.8004 0.3 1 657 146 147 ARG N N 117.3557 0.5 1 658 147 148 ARG H H 7.8174 0.03 1 659 147 148 ARG C C 176.8841 0.3 1 660 147 148 ARG CA C 59.7729 0.3 1 661 147 148 ARG CB C 30.02944 0.3 1 662 147 148 ARG N N 118.0803 0.5 1 663 148 149 ALA H H 8.2673 0.03 1 664 148 149 ALA C C 180.0082 0.3 1 665 148 149 ALA CA C 54.5741 0.3 1 666 148 149 ALA CB C 18.6211 0.3 1 667 148 149 ALA N N 120.0052 0.5 1 668 149 150 GLY H H 8.2013 0.03 1 669 149 150 GLY C C 175.1766 0.3 1 670 149 150 GLY CA C 47.0475 0.3 1 671 149 150 GLY N N 106.4090 0.5 1 672 150 151 GLY H H 7.8529 0.03 1 673 150 151 GLY C C 173.8848 0.3 1 674 150 151 GLY CA C 48.0440 0.3 1 675 150 151 GLY N N 108.9180 0.5 1 676 151 152 VAL H H 7.2933 0.03 1 677 151 152 VAL C C 179.0264 0.3 1 678 151 152 VAL CA C 66.4786 0.3 1 679 151 152 VAL CB C 31.2118 0.3 1 680 151 152 VAL N N 120.9947 0.5 1 681 152 153 LEU H H 8.0792 0.03 1 682 152 153 LEU C C 179.1638 0.3 1 683 152 153 LEU CA C 58.1568 0.3 1 684 152 153 LEU CB C 43.3432 0.3 1 685 152 153 LEU N N 119.9374 0.5 1 686 153 154 VAL H H 9.3678 0.03 1 687 153 154 VAL C C 177.3071 0.3 1 688 153 154 VAL CA C 67.4645 0.3 1 689 153 154 VAL CB C 31.8297 0.3 1 690 153 154 VAL N N 119.7754 0.5 1 691 154 155 ALA H H 8.2060 0.03 1 692 154 155 ALA C C 179.1685 0.3 1 693 154 155 ALA CA C 55.8794 0.3 1 694 154 155 ALA CB C 17.3151 0.3 1 695 154 155 ALA N N 119.5471 0.5 1 696 155 156 SER H H 8.0167 0.03 1 697 155 156 SER C C 177.3338 0.3 1 698 155 156 SER CA C 61.5793 0.3 1 699 155 156 SER CB C 62.7808 0.3 1 700 155 156 SER N N 112.2346 0.5 1 701 156 157 HIS H H 7.9890 0.03 1 702 156 157 HIS C C 177.0629 0.3 1 703 156 157 HIS CA C 59.1886 0.3 1 704 156 157 HIS CB C 27.7415 0.3 1 705 156 157 HIS N N 122.6870 0.5 1 706 157 158 LEU H H 8.6366 0.03 1 707 157 158 LEU C C 177.9998 0.3 1 708 157 158 LEU CA C 57.7504 0.3 1 709 157 158 LEU CB C 41.0266 0.3 1 710 157 158 LEU N N 122.4423 0.5 1 711 158 159 GLN H H 8.1522 0.03 1 712 158 159 GLN C C 179.5224 0.3 1 713 158 159 GLN CA C 59.3029 0.3 1 714 158 159 GLN CB C 27.6786 0.3 1 715 158 159 GLN N N 117.6119 0.5 1 716 159 160 SER H H 7.6070 0.03 1 717 159 160 SER C C 176.2636 0.3 1 718 159 160 SER CA C 62.2573 0.3 1 719 159 160 SER CB C 62.3802 0.3 1 720 159 160 SER N N 115.7009 0.5 1 721 160 161 PHE H H 8.3323 0.03 1 722 160 161 PHE C C 178.9272 0.3 1 723 160 161 PHE CA C 61.2305 0.3 1 724 160 161 PHE CB C 39.3470 0.3 1 725 160 161 PHE N N 124.6650 0.5 1 726 161 162 LEU H H 9.0350 0.03 1 727 161 162 LEU C C 178.4106 0.3 1 728 161 162 LEU CA C 56.9078 0.3 1 729 161 162 LEU CB C 41.2442 0.3 1 730 161 162 LEU N N 120.1785 0.5 1 731 162 163 GLU H H 8.0614 0.03 1 732 162 163 GLU C C 179.3433 0.3 1 733 162 163 GLU CA C 59.4326 0.3 1 734 162 163 GLU CB C 28.3782 0.3 1 735 162 163 GLU N N 121.3112 0.5 1 736 163 164 VAL H H 7.5233 0.03 1 737 163 164 VAL C C 178.3691 0.3 1 738 163 164 VAL CA C 66.4939 0.3 1 739 163 164 VAL CB C 31.0607 0.3 1 740 163 164 VAL N N 119.4552 0.5 1 741 164 165 SER H H 8.0784 0.03 1 742 164 165 SER C C 174.8727 0.3 1 743 164 165 SER N N 115.8432 0.5 1 744 165 166 TYR H H 8.7221 0.03 1 745 165 166 TYR C C 176.1758 0.3 1 746 165 166 TYR CA C 62.2260 0.3 1 747 165 166 TYR CB C 38.2344 0.3 1 748 165 166 TYR N N 121.8576 0.5 1 749 166 167 ARG H H 7.4473 0.03 1 750 166 167 ARG C C 179.7595 0.3 1 751 166 167 ARG CA C 59.9150 0.3 1 752 166 167 ARG CB C 29.9272 0.3 1 753 166 167 ARG N N 117.1318 0.5 1 754 167 168 VAL H H 8.1680 0.03 1 755 167 168 VAL C C 178.3388 0.3 1 756 167 168 VAL CA C 65.8486 0.3 1 757 167 168 VAL CB C 32.1500 0.3 1 758 167 168 VAL N N 120.2117 0.5 1 759 168 169 LEU H H 8.3179 0.03 1 760 168 169 LEU C C 178.6422 0.3 1 761 168 169 LEU CA C 58.1449 0.3 1 762 168 169 LEU CB C 41.7174 0.3 1 763 168 169 LEU N N 119.7294 0.5 1 764 169 170 ARG H H 8.5096 0.03 1 765 169 170 ARG C C 178.6439 0.3 1 766 169 170 ARG CA C 58.7606 0.3 1 767 169 170 ARG CB C 28.8899 0.3 1 768 169 170 ARG N N 117.7828 0.5 1 769 170 171 HIS H H 7.6725 0.03 1 770 170 171 HIS C C 176.5510 0.3 1 771 170 171 HIS CA C 57.7785 0.3 1 772 170 171 HIS CB C 27.7000 0.3 1 773 170 171 HIS N N 116.7639 0.5 1 774 171 172 LEU H H 7.7321 0.03 1 775 171 172 LEU C C 177.3788 0.3 1 776 171 172 LEU CA C 56.4766 0.3 1 777 171 172 LEU CB C 42.2126 0.3 1 778 171 172 LEU N N 118.0730 0.5 1 779 172 173 ALA H H 7.6223 0.03 1 780 172 173 ALA C C 176.9913 0.3 1 781 172 173 ALA CA C 52.7463 0.3 1 782 172 173 ALA CB C 18.9978 0.3 1 783 172 173 ALA N N 120.0868 0.5 1 784 173 174 GLN H H 7.7023 0.03 1 785 173 174 GLN CA C 53.4237 0.3 1 786 173 174 GLN CB C 28.9956 0.3 1 787 173 174 GLN N N 118.7110 0.5 1 stop_ save_