data_18293 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor A29G ; _BMRB_accession_number 18293 _BMRB_flat_file_name bmr18293.str _Entry_type original _Submission_date 2012-02-24 _Accession_date 2012-02-24 _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" 476 "15N chemical shifts" 156 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 18291 'Granulocyte colony-stimulating factor' 18294 'Granulocyte colony-stimulating factor A30G' 18295 'Granulocyte colony-stimulating factor A37G' stop_ save_ ############################# # Citation for this entry # ############################# save_metGCSF_A30G _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 A29G' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Granulocyte colony-stimulating factor A29G' $metGCSFA30G 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_metGCSFA30G _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common metGCSFA30G _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MTPLGPASSLPQSFLLKCLE QVRKIQGDGGALQEKLCATY 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 GLY 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 18291 metGCSF 100.00 175 99.43 99.43 3.02e-118 BMRB 18294 metGCSFA31G 100.00 175 98.86 98.86 1.73e-117 BMRB 18295 metGCSFA38G 100.00 175 98.86 98.86 1.73e-117 PDB 1CD9 "2:2 Complex Of G-Csf With Its Receptor" 100.00 175 99.43 99.43 3.02e-118 PDB 1GNC "Structure And Dynamics Of The Human Granulocyte Colony- Stimulating Factor Determined By Nmr Spectroscopy. Loop Mobility In A F" 101.71 178 97.75 97.75 2.56e-116 PDB 1PGR "2:2 Complex Of G-Csf With Its Receptor" 100.00 175 99.43 99.43 3.02e-118 PDB 1RHG "The Structure Of Granulocyte-Colony-Stimulating Factor And Its Relationship To Those Of Other Growth Factors" 99.43 174 99.43 99.43 1.85e-117 PDB 2D9Q "Crystal Structure Of The Human Gcsf-Receptor Signaling Complex" 99.43 174 99.43 99.43 1.85e-117 DBJ BAF82936 "unnamed protein product [Homo sapiens]" 99.43 200 99.43 99.43 4.58e-117 DBJ BAG36289 "unnamed protein product [Homo sapiens]" 99.43 204 99.43 99.43 2.82e-117 DBJ BAJ21174 "colony stimulating factor 3 [synthetic construct]" 99.43 204 99.43 99.43 2.82e-117 EMBL CAA27168 "unnamed protein product [Homo sapiens]" 101.14 207 97.74 97.74 3.14e-115 EMBL CAA27290 "G-CSF protein [Homo sapiens]" 99.43 204 99.43 99.43 2.82e-117 EMBL CAA27291 "G-CSF protein [Homo sapiens]" 101.14 207 97.74 97.74 3.14e-115 EMBL CAG46689 "CSF3 [Homo sapiens]" 99.43 204 99.43 99.43 2.82e-117 GB AAA03056 "human granulocyte-colony stimulating factor, partial [Homo sapiens]" 99.43 186 99.43 99.43 2.53e-117 GB AAA35882 "granulocyte colony stimulating factor precursor [Homo sapiens]" 99.43 204 99.43 99.43 2.82e-117 GB AAH33245 "Colony stimulating factor 3 (granulocyte) [Homo sapiens]" 99.43 200 99.43 99.43 4.58e-117 GB AAK62469 "colony stimulating factor 3 (granulocyte) [Homo sapiens]" 101.14 207 97.74 97.74 3.14e-115 GB AAV38741 "colony stimulating factor 3 (granulocyte) [synthetic construct]" 99.43 205 98.85 99.43 3.22e-117 PRF 1203374A "colony stimulating factor,granulocyte" 101.14 207 97.74 97.74 3.14e-115 REF NP_000750 "granulocyte colony-stimulating factor isoform a precursor [Homo sapiens]" 101.14 207 97.74 97.74 3.14e-115 REF NP_757373 "granulocyte colony-stimulating factor isoform b precursor [Homo sapiens]" 99.43 204 99.43 99.43 2.82e-117 REF XP_002827665 "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Pongo abelii]" 99.43 204 97.13 98.85 2.02e-115 REF XP_003278307 "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Nomascus leucogenys]" 99.43 204 97.13 97.70 2.60e-114 REF XP_003831483 "PREDICTED: granulocyte colony-stimulating factor isoform X1 [Pan paniscus]" 99.43 204 99.43 99.43 2.82e-117 SP P09919 "RecName: Full=Granulocyte colony-stimulating factor; Short=G-CSF; AltName: Full=Pluripoietin; AltName: INN=Filgrastim; AltName:" 101.14 207 97.74 97.74 3.14e-115 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 $metGCSFA30G Human 9606 Eukaryota Metazoa Homo sapiens ; UniProt P09919-2 (short isoform with deletion of aminoacids 35-37 from mature protein Mutation A to G in position 30 ; 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 $metGCSFA30G '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 $metGCSFA30G 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 A29G' _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 172.1004 0.3 1 2 0 1 MET CA C 54.9224 0.3 1 3 0 1 MET CB C 32.3859 0.3 1 4 1 2 THR H H 8.6181 0.03 1 5 1 2 THR CA C 60.0448 0.3 1 6 1 2 THR CB C 69.8750 0.3 1 7 1 2 THR N N 121.0535 0.5 1 8 2 3 PRO C C 176.5742 0.3 1 9 2 3 PRO CA C 63.0945 0.3 1 10 2 3 PRO CB C 31.8892 0.3 1 11 3 4 LEU H H 8.2824 0.03 1 12 3 4 LEU C C 177.4704 0.3 1 13 3 4 LEU CA C 55.0945 0.3 1 14 3 4 LEU CB C 42.4383 0.3 1 15 3 4 LEU N N 122.51051 0.5 1 16 4 5 GLY H H 8.1223 0.03 1 17 4 5 GLY CA C 44.5864 0.3 1 18 4 5 GLY N N 109.4772 0.5 1 19 5 6 PRO C C 176.6089 0.3 1 20 5 6 PRO CA C 62.8101 0.3 1 21 5 6 PRO CB C 33.2430 0.3 1 22 6 7 ALA H H 8.4690 0.03 1 23 6 7 ALA C C 177.4747 0.3 1 24 6 7 ALA CA C 52.5934 0.3 1 25 6 7 ALA CB C 19.0640 0.3 1 26 6 7 ALA N N 124.1441 0.5 1 27 7 8 SER H H 8.2222 0.03 1 28 7 8 SER C C 173.8469 0.3 1 29 7 8 SER CA C 58.3484 0.3 1 30 7 8 SER CB C 63.9875 0.3 1 31 7 8 SER N N 114.3553 0.5 1 32 8 9 SER H H 7.9805 0.03 1 33 8 9 SER C C 173.4465 0.3 1 34 8 9 SER CA C 58.0614 0.3 1 35 8 9 SER CB C 64.3858 0.3 1 36 8 9 SER N N 116.3168 0.5 1 37 9 10 LEU H H 8.3462 0.03 1 38 9 10 LEU HD1 H 0.0000 0.03 1 39 9 10 LEU CA C 51.9214 0.3 1 40 9 10 LEU CB C 42.4462 0.3 1 41 9 10 LEU N N 121.9300 0.5 1 42 10 11 PRO C C 178.0254 0.3 1 43 10 11 PRO CA C 62.5512 0.3 1 44 10 11 PRO CB C 31.7913 0.3 1 45 11 12 GLN H H 9.0380 0.03 1 46 11 12 GLN C C 178.0783 0.3 1 47 11 12 GLN CA C 59.3701 0.3 1 48 11 12 GLN CB C 28.1120 0.3 1 49 11 12 GLN N N 125.3265 0.5 1 50 12 13 SER H H 8.3995 0.03 1 51 12 13 SER HG H 8.3386 0 1 52 12 13 SER C C 177.02319 0.3 1 53 12 13 SER CA C 61.0154 0.3 1 54 12 13 SER CB C 61.5223 0.3 1 55 12 13 SER N N 112.4246 0.5 1 56 13 14 PHE H H 6.9716 0.03 1 57 13 14 PHE C C 176.6533 0.3 1 58 13 14 PHE CA C 60.2052 0.3 1 59 13 14 PHE CB C 39.2153 0.3 1 60 13 14 PHE N N 122.8516 0.5 1 61 14 15 LEU H H 7.6341 0.03 1 62 14 15 LEU C C 178.4216 0.3 1 63 14 15 LEU CA C 58.2904 0.3 1 64 14 15 LEU CB C 41.6329 0.3 1 65 14 15 LEU N N 121.3520 0.5 1 66 15 16 LEU H H 8.3951 0.03 1 67 15 16 LEU C C 179.7820 0.3 1 68 15 16 LEU CA C 58.1688 0.3 1 69 15 16 LEU CB C 41.0468 0.3 1 70 15 16 LEU N N 117.1939 0.5 1 71 16 17 LYS H H 7.4480 0.03 1 72 16 17 LYS C C 179.1034 0.3 1 73 16 17 LYS CA C 59.1632 0.3 1 74 16 17 LYS CB C 31.7147 0.3 1 75 16 17 LYS N N 120.6164 0.5 1 76 17 18 CYS H H 8.0292 0.03 1 77 17 18 CYS C C 176.5603 0.3 1 78 17 18 CYS CA C 64.0317 0.3 1 79 17 18 CYS CB C 27.8062 0.3 1 80 17 18 CYS N N 116.6214 0.5 1 81 18 19 LEU H H 8.0802 0.03 1 82 18 19 LEU C C 178.9996 0.3 1 83 18 19 LEU CA C 58.6388 0.3 1 84 18 19 LEU CB C 40.7896 0.3 1 85 18 19 LEU N N 118.9622 0.5 1 86 19 20 GLU H H 7.5927 0.03 1 87 19 20 GLU C C 179.1602 0.3 1 88 19 20 GLU CA C 58.7862 0.3 1 89 19 20 GLU CB C 27.8731 0.3 1 90 19 20 GLU N N 118.1346 0.5 1 91 20 21 GLN H H 8.0796 0.03 1 92 20 21 GLN C C 178.5998 0.3 1 93 20 21 GLN CA C 59.3393 0.3 1 94 20 21 GLN CB C 27.6740 0.3 1 95 20 21 GLN N N 120.8646 0.5 1 96 21 22 VAL H H 8.3473 0.03 1 97 21 22 VAL C C 177.3676 0.3 1 98 21 22 VAL CA C 67.5053 0.3 1 99 21 22 VAL CB C 31.0959 0.3 1 100 21 22 VAL N N 119.7713 0.5 1 101 22 23 ARG H H 7.5098 0.03 1 102 22 23 ARG C C 179.7346 0.3 1 103 22 23 ARG CA C 58.7918 0.3 1 104 22 23 ARG CB C 29.6476 0.3 1 105 22 23 ARG N N 117.7290 0.5 1 106 23 24 LYS H H 7.8038 0.03 1 107 23 24 LYS C C 179.0040 0.3 1 108 23 24 LYS CA C 59.2721 0.3 1 109 23 24 LYS CB C 32.6356 0.3 1 110 23 24 LYS N N 121.7483 0.5 1 111 24 25 ILE H H 8.1464 0.03 1 112 24 25 ILE C C 177.1017 0.3 1 113 24 25 ILE CA C 64.9984 0.3 1 114 24 25 ILE CB C 37.2643 0.3 1 115 24 25 ILE N N 119.4212 0.5 1 116 25 26 GLN H H 8.7047 0.03 1 117 25 26 GLN C C 180.7449 0.3 1 118 25 26 GLN CA C 59.3305 0.3 1 119 25 26 GLN CB C 28.5927 0.3 1 120 25 26 GLN N N 121.6584 0.5 1 121 26 27 GLY H H 7.9934 0.03 1 122 26 27 GLY C C 176.6788 0.3 1 123 26 27 GLY CA C 47.0252 0.3 1 124 26 27 GLY N N 108.2618 0.5 1 125 27 28 ASP H H 8.3900 0.03 1 126 27 28 ASP C C 179.4031 0.3 1 127 27 28 ASP CA C 55.9837 0.3 1 128 27 28 ASP CB C 39.3028 0.3 1 129 27 28 ASP N N 123.9943 0.5 1 130 28 29 GLY H H 9.2996 0.03 1 131 28 29 GLY C C 177.3399 0.3 1 132 28 29 GLY CA C 46.7676 0.3 1 133 28 29 GLY N N 109.5930 0.5 1 134 29 30 GLY H H 8.2595 0.03 1 135 29 30 GLY C C 176.3196 0.3 1 136 29 30 GLY CA C 46.9561 0.3 1 137 29 30 GLY N N 110.5460 0.5 1 138 30 31 ALA H H 7.8829 0.03 1 139 30 31 ALA C C 180.3734 0.3 1 140 30 31 ALA CA C 54.8542 0.3 1 141 30 31 ALA CB C 17.6299 0.3 1 142 30 31 ALA N N 124.6372 0.5 1 143 31 32 LEU H H 7.5018 0.03 1 144 31 32 LEU C C 177.8688 0.3 1 145 31 32 LEU CA C 58.4222 0.3 1 146 31 32 LEU CB C 41.5783 0.3 1 147 31 32 LEU N N 118.5090 0.5 1 148 32 33 GLN H H 8.3759 0.03 1 149 32 33 GLN C C 179.1174 0.3 1 150 32 33 GLN CA C 60.0678 0.3 1 151 32 33 GLN CB C 29.2657 0.3 1 152 32 33 GLN N N 117.6179 0.5 1 153 33 34 GLU H H 8.5473 0.03 1 154 33 34 GLU C C 178.7636 0.3 1 155 33 34 GLU CA C 59.2876 0.3 1 156 33 34 GLU CB C 27.5318 0.3 1 157 33 34 GLU N N 120.1760 0.5 1 158 34 35 LYS H H 8.0162 0.03 1 159 34 35 LYS C C 180.2689 0.3 1 160 34 35 LYS CA C 59.2776 0.3 1 161 34 35 LYS CB C 32.5761 0.3 1 162 34 35 LYS N N 120.3665 0.5 1 163 35 36 LEU H H 8.5168 0.03 1 164 35 36 LEU C C 178.8723 0.3 1 165 35 36 LEU CA C 58.8598 0.3 1 166 35 36 LEU CB C 41.6941 0.3 1 167 35 36 LEU N N 121.9613 0.5 1 168 36 37 CYS H H 7.8223 0.03 1 169 36 37 CYS C C 176.8995 0.3 1 170 36 37 CYS CA C 56.9935 0.3 1 171 36 37 CYS CB C 37.8057 0.3 1 172 36 37 CYS N N 117.9928 0.5 1 173 37 38 ALA H H 8.7422 0.03 1 174 37 38 ALA C C 179.3136 0.3 1 175 37 38 ALA CA C 55.1098 0.3 1 176 37 38 ALA CB C 18.7598 0.3 1 177 37 38 ALA N N 123.2030 0.5 1 178 38 39 THR H H 8.0935 0.03 1 179 38 39 THR C C 175.2063 0.3 1 180 38 39 THR CA C 65.6454 0.3 1 181 38 39 THR CB C 69.3172 0.3 1 182 38 39 THR N N 110.2470 0.5 1 183 39 40 TYR H H 7.0169 0.03 1 184 39 40 TYR C C 174.5301 0.3 1 185 39 40 TYR CA C 56.7648 0.3 1 186 39 40 TYR CB C 39.3920 0.3 1 187 39 40 TYR N N 115.4842 0.5 1 188 40 41 LYS H H 7.5854 0.03 1 189 40 41 LYS C C 176.0456 0.3 1 190 40 41 LYS CA C 57.6278 0.3 1 191 40 41 LYS CB C 28.3436 0.3 1 192 40 41 LYS N N 114.2950 0.5 1 193 41 42 LEU H H 6.9060 0.03 1 194 41 42 LEU C C 175.7744 0.3 1 195 41 42 LEU CA C 53.3889 0.3 1 196 41 42 LEU CB C 41.8476 0.3 1 197 41 42 LEU N N 121.1691 0.5 1 198 42 43 CYS H H 7.9301 0.03 1 199 42 43 CYS CA C 56.9500 0.3 1 200 42 43 CYS CB C 42.3400 0.3 1 201 42 43 CYS N N 119.5035 0.5 1 202 44 45 PRO C C 177.7542 0.3 1 203 44 45 PRO CA C 62.7552 0.3 1 204 44 45 PRO CB C 27.8731 0.3 1 205 45 46 GLU H H 8.0459 0.03 1 206 45 46 GLU C C 177.9237 0.3 1 207 45 46 GLU CA C 58.8864 0.3 1 208 45 46 GLU CB C 27.5086 0.3 1 209 45 46 GLU N N 120.8462 0.5 1 210 46 47 GLU H H 7.5796 0.03 1 211 46 47 GLU C C 176.9578 0.3 1 212 46 47 GLU CA C 56.8841 0.3 1 213 46 47 GLU CB C 29.0671 0.3 1 214 46 47 GLU N N 117.1263 0.5 1 215 47 48 LEU H H 7.6153 0.03 1 216 47 48 LEU C C 176.6061 0.3 1 217 47 48 LEU CA C 54.0952 0.3 1 218 47 48 LEU CB C 42.3357 0.3 1 219 47 48 LEU N N 118.3531 0.5 1 220 48 49 VAL H H 7.1018 0.03 1 221 48 49 VAL C C 178.2015 0.3 1 222 48 49 VAL CA C 65.6904 0.3 1 223 48 49 VAL CB C 31.8624 0.3 1 224 48 49 VAL N N 119.3074 0.5 1 225 49 50 LEU H H 8.4561 0.03 1 226 49 50 LEU C C 179.5903 0.3 1 227 49 50 LEU CA C 58.0946 0.3 1 228 49 50 LEU CB C 40.6319 0.3 1 229 49 50 LEU N N 121.8852 0.5 1 230 50 51 LEU H H 7.9197 0.03 1 231 50 51 LEU C C 179.2604 0.3 1 232 50 51 LEU CA C 57.2152 0.3 1 233 50 51 LEU CB C 40.9940 0.3 1 234 50 51 LEU N N 122.1052 0.5 1 235 51 52 GLY H H 8.2138 0.03 1 236 51 52 GLY C C 175.8138 0.3 1 237 51 52 GLY CA C 47.7484 0.3 1 238 51 52 GLY N N 105.3700 0.5 1 239 52 53 HIS H H 7.9457 0.03 1 240 52 53 HIS C C 177.0122 0.3 1 241 52 53 HIS CA C 58.0376 0.3 1 242 52 53 HIS CB C 28.1312 0.3 1 243 52 53 HIS N N 118.4978 0.5 1 244 53 54 SER H H 8.4627 0.03 1 245 53 54 SER C C 175.6961 0.3 1 246 53 54 SER CA C 61.0402 0.3 1 247 53 54 SER CB C 62.9402 0.3 1 248 53 54 SER N N 117.0425 0.5 1 249 54 55 LEU H H 8.0049 0.03 1 250 54 55 LEU C C 177.3416 0.3 1 251 54 55 LEU CA C 55.4114 0.3 1 252 54 55 LEU CB C 42.8822 0.3 1 253 54 55 LEU N N 119.5897 0.5 1 254 55 56 GLY H H 7.5329 0.03 1 255 55 56 GLY C C 174.5574 0.3 1 256 55 56 GLY CA C 46.4237 0.3 1 257 55 56 GLY N N 107.0228 0.5 1 258 56 57 ILE H H 7.3363 0.03 1 259 56 57 ILE CA C 59.1018 0.3 1 260 56 57 ILE CB C 38.2244 0.3 1 261 56 57 ILE N N 119.4686 0.5 1 262 57 58 PRO C C 174.3600 0.3 1 263 57 58 PRO CA C 61.6656 0.3 1 264 57 58 PRO CB C 31.1414 0.3 1 265 58 59 TRP H H 7.7696 0.03 1 266 58 59 TRP C C 176.1126 0.3 1 267 58 59 TRP CA C 55.0526 0.3 1 268 58 59 TRP CB C 30.1724 0.3 1 269 58 59 TRP N N 120.1315 0.5 1 270 59 60 ALA H H 7.1554 0.03 1 271 59 60 ALA CA C 49.9976 0.3 1 272 59 60 ALA CB C 20.0547 0.3 1 273 59 60 ALA N N 126.0273 0.5 1 274 60 61 PRO C C 176.2045 0.3 1 275 60 61 PRO CA C 62.2096 0.3 1 276 60 61 PRO CB C 33.2610 0.3 1 277 61 62 LEU H H 8.4991 0.03 1 278 61 62 LEU C C 177.9352 0.3 1 279 61 62 LEU CA C 54.4881 0.3 1 280 61 62 LEU CB C 42.4665 0.3 1 281 61 62 LEU N N 120.5104 0.5 1 282 62 63 SER H H 7.4391 0.03 1 283 62 63 SER C C 175.9394 0.3 1 284 62 63 SER CA C 59.3431 0.3 1 285 62 63 SER CB C 63.4878 0.3 1 286 62 63 SER N N 116.1415 0.5 1 287 63 64 SER H H 9.6852 0.03 1 288 63 64 SER C C 173.0483 0.3 1 289 63 64 SER CA C 58.6400 0.3 1 290 63 64 SER CB C 62.9255 0.3 1 291 63 64 SER N N 118.4632 0.5 1 292 64 65 CYS H H 7.8862 0.03 1 293 64 65 CYS CA C 53.4450 0.3 1 294 64 65 CYS CB C 43.4455 0.3 1 295 64 65 CYS N N 118.0518 0.5 1 296 65 66 PRO C C 176.0024 0.3 1 297 65 66 PRO CA C 63.5247 0.3 1 298 65 66 PRO CB C 32.2309 0.3 1 299 66 67 SER H H 8.2604 0.03 1 300 66 67 SER C C 174.5901 0.3 1 301 66 67 SER CA C 60.3116 0.3 1 302 66 67 SER CB C 63.1323 0.3 1 303 66 67 SER N N 113.1065 0.5 1 304 67 68 GLN H H 7.7575 0.03 1 305 67 68 GLN C C 174.5757 0.3 1 306 67 68 GLN CA C 55.3180 0.3 1 307 67 68 GLN CB C 29.5878 0.3 1 308 67 68 GLN N N 117.9696 0.5 1 309 68 69 ALA H H 8.2994 0.03 1 310 68 69 ALA C C 176.1478 0.3 1 311 68 69 ALA CA C 52.4875 0.3 1 312 68 69 ALA CB C 17.4012 0.3 1 313 68 69 ALA N N 123.4003 0.5 1 314 69 70 LEU H H 7.7162 0.03 1 315 69 70 LEU C C 176.7370 0.3 1 316 69 70 LEU CA C 56.5455 0.3 1 317 69 70 LEU CB C 42.0341 0.3 1 318 69 70 LEU N N 120.4891 0.5 1 319 70 71 GLN H H 8.7070 0.03 1 320 70 71 GLN C C 175.9282 0.3 1 321 70 71 GLN CA C 54.4994 0.3 1 322 70 71 GLN CB C 28.4988 0.3 1 323 70 71 GLN N N 125.5754 0.5 1 324 71 72 LEU H H 8.5861 0.03 1 325 71 72 LEU C C 177.7273 0.3 1 326 71 72 LEU CA C 59.1509 0.3 1 327 71 72 LEU CB C 42.0824 0.3 1 328 71 72 LEU N N 126.0866 0.5 1 329 72 73 ALA H H 8.8116 0.03 1 330 72 73 ALA C C 180.5974 0.3 1 331 72 73 ALA CA C 56.2365 0.3 1 332 72 73 ALA CB C 17.6330 0.3 1 333 72 73 ALA N N 120.0294 0.5 1 334 73 74 GLY H H 7.8016 0.03 1 335 73 74 GLY C C 175.9916 0.3 1 336 73 74 GLY CA C 46.9309 0.3 1 337 73 74 GLY N N 105.8562 0.5 1 338 74 75 CYS H H 8.1598 0.03 1 339 74 75 CYS C C 176.0450 0.3 1 340 74 75 CYS CA C 58.5303 0.3 1 341 74 75 CYS CB C 38.8636 0.3 1 342 74 75 CYS N N 120.2508 0.5 1 343 75 76 LEU H H 8.7040 0.03 1 344 75 76 LEU C C 178.7766 0.3 1 345 75 76 LEU CA C 58.5211 0.3 1 346 75 76 LEU CB C 40.5202 0.3 1 347 75 76 LEU N N 117.5708 0.5 1 348 76 77 SER H H 8.1153 0.03 1 349 76 77 SER C C 174.9191 0.3 1 350 76 77 SER CA C 59.4350 0.3 1 351 76 77 SER CB C 63.3500 0.3 1 352 76 77 SER N N 111.9647 0.5 1 353 77 78 GLN H H 8.1171 0.03 1 354 77 78 GLN C C 180.3348 0.3 1 355 77 78 GLN CA C 59.7773 0.3 1 356 77 78 GLN CB C 28.8685 0.3 1 357 77 78 GLN N N 119.5597 0.5 1 358 78 79 LEU H H 8.9121 0.03 1 359 78 79 LEU C C 178.4218 0.3 1 360 78 79 LEU CA C 58.8666 0.3 1 361 78 79 LEU CB C 42.1960 0.3 1 362 78 79 LEU N N 124.4023 0.5 1 363 79 80 HIS H H 8.9143 0.03 1 364 79 80 HIS C C 176.2629 0.3 1 365 79 80 HIS CA C 62.4248 0.3 1 366 79 80 HIS CB C 28.1936 0.3 1 367 79 80 HIS N N 116.3446 0.5 1 368 80 81 SER H H 9.1137 0.03 1 369 80 81 SER C C 177.4537 0.3 1 370 80 81 SER CB C 62.3548 0.3 1 371 80 81 SER N N 115.0293 0.5 1 372 81 82 GLY H H 8.5348 0.03 1 373 81 82 GLY C C 174.5597 0.3 1 374 81 82 GLY CA C 48.0459 0.3 1 375 81 82 GLY N N 111.2310 0.5 1 376 82 83 LEU H H 8.0084 0.03 1 377 82 83 LEU C C 178.0738 0.3 1 378 82 83 LEU CA C 58.1943 0.3 1 379 82 83 LEU CB C 42.2467 0.3 1 380 82 83 LEU N N 121.1258 0.5 1 381 83 84 PHE C C 178.3986 0.3 1 382 83 84 PHE CA C 60.2998 0.3 1 383 83 84 PHE CB C 38.6766 0.3 1 384 83 84 PHE N N 119.2662 0.5 1 385 84 85 LEU H H 7.8852 0.03 1 386 84 85 LEU C C 175.5707 0.3 1 387 84 85 LEU CA C 58.6300 0.3 1 388 84 85 LEU CB C 38.8053 0.3 1 389 84 85 LEU N N 122.9209 0.5 1 390 85 86 TYR H H 8.1709 0.03 1 391 85 86 TYR C C 178.6517 0.3 1 392 85 86 TYR CA C 64.9314 0.3 1 393 85 86 TYR CB C 37.5161 0.3 1 394 85 86 TYR N N 123.0158 0.5 1 395 86 87 GLN H H 8.7573 0.03 1 396 86 87 GLN C C 178.5541 0.3 1 397 86 87 GLN CA C 60.3041 0.3 1 398 86 87 GLN CB C 28.7398 0.3 1 399 86 87 GLN N N 119.8793 0.5 1 400 87 88 GLY H H 7.6206 0.03 1 401 87 88 GLY CA C 47.0676 0.3 1 402 87 88 GLY N N 107.3154 0.5 1 403 88 89 LEU C C 178.0222 0.3 1 404 88 89 LEU CA C 57.9610 0.3 1 405 88 89 LEU CB C 43.0464 0.3 1 406 89 90 LEU H H 8.3611 0.03 1 407 89 90 LEU C C 180.1902 0.3 1 408 89 90 LEU CA C 57.6122 0.3 1 409 89 90 LEU CB C 41.7977 0.3 1 410 89 90 LEU N N 115.4187 0.5 1 411 90 91 GLN H H 7.8731 0.03 1 412 90 91 GLN C C 178.6941 0.3 1 413 90 91 GLN CA C 58.7818 0.3 1 414 90 91 GLN CB C 34.6945 0.3 1 415 90 91 GLN N N 119.5993 0.5 1 416 91 92 ALA H H 7.7859 0.03 1 417 91 92 ALA C C 177.7864 0.3 1 418 91 92 ALA CA C 54.0119 0.3 1 419 91 92 ALA CB C 17.6721 0.3 1 420 91 92 ALA N N 121.5347 0.5 1 421 92 93 LEU H H 7.1348 0.03 1 422 92 93 LEU C C 176.6378 0.3 1 423 92 93 LEU CA C 55.7143 0.3 1 424 92 93 LEU CB C 41.1551 0.3 1 425 92 93 LEU N N 115.7490 0.5 1 426 93 94 GLU H H 7.8440 0.03 1 427 93 94 GLU C C 176.6041 0.3 1 428 93 94 GLU CA C 56.3010 0.3 1 429 93 94 GLU CB C 26.0396 0.3 1 430 93 94 GLU N N 114.9474 0.5 1 431 94 95 GLY H H 8.9228 0.03 1 432 94 95 GLY C C 173.6159 0.3 1 433 94 95 GLY CA C 46.1201 0.3 1 434 94 95 GLY N N 107.2048 0.5 1 435 95 96 ILE H H 7.5036 0.03 1 436 95 96 ILE N N 110.3824 0.5 1 437 97 98 PRO C C 178.9963 0.3 1 438 97 98 PRO CA C 65.6992 0.3 1 439 97 98 PRO CB C 31.6952 0.3 1 440 98 99 GLU H H 8.7526 0.03 1 441 98 99 GLU C C 177.3209 0.3 1 442 98 99 GLU CA C 58.6320 0.3 1 443 98 99 GLU CB C 28.1182 0.3 1 444 98 99 GLU N N 114.9654 0.5 1 445 99 100 LEU H H 7.6724 0.03 1 446 99 100 LEU C C 176.9473 0.3 1 447 99 100 LEU CA C 54.2539 0.3 1 448 99 100 LEU CB C 42.4066 0.3 1 449 99 100 LEU N N 121.1663 0.5 1 450 100 101 GLY H H 7.8292 0.03 1 451 100 101 GLY CA C 49.1434 0.3 1 452 100 101 GLY N N 108.2129 0.5 1 453 101 102 PRO C C 179.1857 0.3 1 454 101 102 PRO CA C 65.7441 0.3 1 455 101 102 PRO CB C 31.7818 0.3 1 456 102 103 THR H H 7.4826 0.03 1 457 102 103 THR C C 177.0089 0.3 1 458 102 103 THR CA C 66.7999 0.3 1 459 102 103 THR CB C 68.4475 0.3 1 460 102 103 THR N N 114.2840 0.5 1 461 103 104 LEU H H 8.1857 0.03 1 462 103 104 LEU C C 177.9975 0.3 1 463 103 104 LEU CA C 57.7626 0.3 1 464 103 104 LEU CB C 41.0891 0.3 1 465 103 104 LEU N N 124.7867 0.5 1 466 104 105 ASP H H 8.9992 0.03 1 467 104 105 ASP C C 177.9332 0.3 1 468 104 105 ASP CA C 56.5651 0.3 1 469 104 105 ASP CB C 38.0567 0.3 1 470 104 105 ASP N N 119.9789 0.5 1 471 105 106 THR H H 7.8388 0.03 1 472 105 106 THR C C 174.6462 0.3 1 473 105 106 THR CA C 66.9600 0.3 1 474 105 106 THR CB C 69.1973 0.3 1 475 105 106 THR N N 117.1043 0.5 1 476 106 107 LEU H H 7.1366 0.03 1 477 106 107 LEU C C 177.6251 0.3 1 478 106 107 LEU CA C 57.9445 0.3 1 479 106 107 LEU CB C 42.1307 0.3 1 480 106 107 LEU N N 120.4264 0.5 1 481 107 108 GLN H H 8.6444 0.03 1 482 107 108 GLN C C 178.3336 0.3 1 483 107 108 GLN CA C 60.4584 0.3 1 484 107 108 GLN CB C 29.3612 0.3 1 485 107 108 GLN N N 116.8876 0.5 1 486 108 109 LEU H H 8.0984 0.03 1 487 108 109 LEU C C 179.1158 0.3 1 488 108 109 LEU CA C 58.0824 0.3 1 489 108 109 LEU CB C 41.4952 0.3 1 490 108 109 LEU N N 121.1518 0.5 1 491 109 110 ASP H H 8.2966 0.03 1 492 109 110 ASP C C 180.0265 0.3 1 493 109 110 ASP CA C 56.8918 0.3 1 494 109 110 ASP CB C 38.8168 0.3 1 495 109 110 ASP N N 119.2952 0.5 1 496 110 111 VAL H H 8.5161 0.03 1 497 110 111 VAL CA C 67.6612 0.3 1 498 110 111 VAL N N 122.5501 0.5 1 499 111 112 ALA C C 180.7409 0.3 1 500 112 113 ASP H H 8.6429 0.03 1 501 112 113 ASP C C 178.3184 0.3 1 502 112 113 ASP CA C 56.4162 0.3 1 503 112 113 ASP N N 117.4746 0.5 1 504 113 114 PHE H H 7.8695 0.03 1 505 113 114 PHE C C 177.1052 0.3 1 506 113 114 PHE CA C 56.9693 0.3 1 507 113 114 PHE CB C 39.4545 0.3 1 508 113 114 PHE N N 122.0992 0.5 1 509 114 115 ALA H H 8.7866 0.03 1 510 114 115 ALA C C 180.2508 0.3 1 511 114 115 ALA CA C 56.3619 0.3 1 512 114 115 ALA CB C 17.0979 0.3 1 513 114 115 ALA N N 121.3673 0.5 1 514 115 116 THR H H 8.6594 0.03 1 515 115 116 THR C C 175.8571 0.3 1 516 115 116 THR CA C 66.9745 0.3 1 517 115 116 THR CB C 68.7199 0.3 1 518 115 116 THR N N 116.4132 0.5 1 519 116 117 THR H H 8.3495 0.03 1 520 116 117 THR C C 177.6354 0.3 1 521 116 117 THR CA C 67.2980 0.3 1 522 116 117 THR CB C 68.7441 0.3 1 523 116 117 THR N N 121.2806 0.5 1 524 117 118 ILE H H 8.1513 0.03 1 525 117 118 ILE CA C 65.3191 0.3 1 526 117 118 ILE CB C 37.5116 0.3 1 527 117 118 ILE N N 120.3912 0.5 1 528 118 119 TRP C C 177.6097 0.3 1 529 118 119 TRP CA C 60.5165 0.3 1 530 118 119 TRP CB C 29.8474 0.3 1 531 119 120 GLN H H 8.8747 0.03 1 532 119 120 GLN C C 178.7116 0.3 1 533 119 120 GLN CA C 58.7218 0.3 1 534 119 120 GLN CB C 27.8979 0.3 1 535 119 120 GLN N N 115.9056 0.5 1 536 120 121 GLN H H 7.3940 0.03 1 537 120 121 GLN C C 177.9443 0.3 1 538 120 121 GLN CA C 57.6805 0.3 1 539 120 121 GLN CB C 29.5654 0.3 1 540 120 121 GLN N N 119.4270 0.5 1 541 121 122 MET H H 8.1787 0.03 1 542 121 122 MET C C 178.3863 0.3 1 543 121 122 MET CA C 59.9863 0.3 1 544 121 122 MET CB C 32.9141 0.3 1 545 121 122 MET N N 118.7846 0.5 1 546 122 123 GLU H H 8.1894 0.03 1 547 122 123 GLU C C 180.0746 0.3 1 548 122 123 GLU CA C 58.6064 0.3 1 549 122 123 GLU CB C 27.6657 0.3 1 550 122 123 GLU N N 118.4450 0.5 1 551 123 124 GLU H H 7.7686 0.03 1 552 123 124 GLU C C 177.6388 0.3 1 553 123 124 GLU CA C 58.5961 0.3 1 554 123 124 GLU CB C 27.7192 0.3 1 555 123 124 GLU N N 120.4125 0.5 1 556 124 125 LEU H H 7.2961 0.03 1 557 124 125 LEU C C 176.9158 0.3 1 558 124 125 LEU CA C 54.5220 0.3 1 559 124 125 LEU CB C 42.3154 0.3 1 560 124 125 LEU N N 116.1551 0.5 1 561 125 126 GLY H H 7.6286 0.03 1 562 125 126 GLY C C 175.0567 0.3 1 563 125 126 GLY CA C 46.3387 0.3 1 564 125 126 GLY N N 108.1199 0.5 1 565 126 127 MET H H 7.8772 0.03 1 566 126 127 MET C C 174.1904 0.3 1 567 126 127 MET CA C 55.1232 0.3 1 568 126 127 MET CB C 33.5710 0.3 1 569 126 127 MET N N 116.1134 0.5 1 570 127 128 ALA H H 7.6201 0.03 1 571 127 128 ALA CA C 49.8949 0.3 1 572 127 128 ALA CB C 17.6789 0.3 1 573 127 128 ALA N N 123.3735 0.5 1 574 128 129 PRO C C 175.5612 0.3 1 575 128 129 PRO CA C 62.1817 0.3 1 576 128 129 PRO CB C 31.8172 0.3 1 577 129 130 ALA H H 8.1770 0.03 1 578 129 130 ALA C C 177.6567 0.3 1 579 129 130 ALA CA C 52.8068 0.3 1 580 129 130 ALA CB C 18.8785 0.3 1 581 129 130 ALA N N 122.2640 0.5 1 582 130 131 LEU H H 7.8650 0.03 1 583 130 131 LEU C C 177.1090 0.3 1 584 130 131 LEU CA C 54.5069 0.3 1 585 130 131 LEU CB C 42.9435 0.3 1 586 130 131 LEU N N 119.7330 0.5 1 587 131 132 GLN H H 8.1004 0.03 1 588 131 132 GLN CA C 56.2487 0.3 1 589 131 132 GLN CB C 32.8998 0.3 1 590 131 132 GLN N N 122.3100 0.5 1 591 132 133 PRO C C 176.1993 0.3 1 592 132 133 PRO CA C 62.7187 0.3 1 593 132 133 PRO CB C 31.7759 0.3 1 594 133 134 THR H H 8.1401 0.03 1 595 133 134 THR C C 174.2752 0.3 1 596 133 134 THR CA C 61.6180 0.3 1 597 133 134 THR CB C 69.9841 0.3 1 598 133 134 THR N N 114.9487 0.5 1 599 134 135 GLN H H 8.6125 0.03 1 600 134 135 GLN C C 176.1416 0.3 1 601 134 135 GLN CA C 55.8110 0.3 1 602 134 135 GLN CB C 29.8540 0.3 1 603 134 135 GLN N N 124.3107 0.5 1 604 135 136 GLY H H 8.2547 0.03 1 605 135 136 GLY C C 172.5060 0.3 1 606 135 136 GLY CA C 44.2115 0.3 1 607 135 136 GLY N N 111.2975 0.5 1 608 136 137 ALA H H 8.0541 0.03 1 609 136 137 ALA C C 177.5846 0.3 1 610 136 137 ALA CA C 52.3207 0.3 1 611 136 137 ALA CB C 18.7980 0.3 1 612 136 137 ALA N N 122.6453 0.5 1 613 137 138 MET H H 8.2922 0.03 1 614 137 138 MET CA C 52.2100 0.3 1 615 137 138 MET CB C 34.0773 0.3 1 616 137 138 MET N N 121.7670 0.5 1 617 138 139 PRO C C 173.9773 0.3 1 618 138 139 PRO CA C 62.0334 0.3 1 619 138 139 PRO CB C 31.1316 0.3 1 620 139 140 ALA H H 7.8526 0.03 1 621 139 140 ALA C C 176.5424 0.3 1 622 139 140 ALA CA C 50.6649 0.3 1 623 139 140 ALA CB C 19.2775 0.3 1 624 139 140 ALA N N 122.1491 0.5 1 625 140 141 PHE H H 8.3614 0.03 1 626 140 141 PHE C C 175.2012 0.3 1 627 140 141 PHE CA C 56.4392 0.3 1 628 140 141 PHE CB C 38.8805 0.3 1 629 140 141 PHE N N 120.5939 0.5 1 630 141 142 ALA H H 8.0883 0.03 1 631 141 142 ALA C C 177.3209 0.3 1 632 141 142 ALA CA C 54.0928 0.3 1 633 141 142 ALA CB C 19.9304 0.3 1 634 141 142 ALA N N 124.8205 0.5 1 635 142 143 SER H H 7.8143 0.03 1 636 142 143 SER C C 174.1742 0.3 1 637 142 143 SER CA C 55.9111 0.3 1 638 142 143 SER CB C 66.7270 0.3 1 639 142 143 SER N N 111.7027 0.5 1 640 143 144 ALA H H 8.9686 0.03 1 641 143 144 ALA C C 179.8145 0.3 1 642 143 144 ALA CA C 55.6376 0.3 1 643 143 144 ALA CB C 17.5808 0.3 1 644 143 144 ALA N N 124.4308 0.5 1 645 144 145 PHE H H 8.6548 0.03 1 646 144 145 PHE C C 176.8657 0.3 1 647 144 145 PHE CA C 61.7719 0.3 1 648 144 145 PHE CB C 38.9328 0.3 1 649 144 145 PHE N N 117.0389 0.5 1 650 145 146 GLN H H 7.8302 0.03 1 651 145 146 GLN C C 178.5004 0.3 1 652 145 146 GLN CA C 59.8475 0.3 1 653 145 146 GLN CB C 28.2264 0.3 1 654 145 146 GLN N N 115.9696 0.5 1 655 146 147 ARG H H 7.9137 0.03 1 656 146 147 ARG C C 177.2656 0.3 1 657 146 147 ARG CA C 60.0020 0.3 1 658 146 147 ARG CB C 30.6062 0.3 1 659 146 147 ARG N N 117.3479 0.5 1 660 147 148 ARG H H 7.7863 0.03 1 661 147 148 ARG C C 176.7591 0.3 1 662 147 148 ARG CA C 59.7352 0.3 1 663 147 148 ARG CB C 30.01535 0.3 1 664 147 148 ARG N N 118.0233 0.5 1 665 148 149 ALA H H 8.2121 0.03 1 666 148 149 ALA C C 179.9579 0.3 1 667 148 149 ALA CA C 54.5758 0.3 1 668 148 149 ALA CB C 18.4411 0.3 1 669 148 149 ALA N N 119.9666 0.5 1 670 149 150 GLY H H 8.1737 0.03 1 671 149 150 GLY C C 175.1424 0.3 1 672 149 150 GLY CA C 47.0201 0.3 1 673 149 150 GLY N N 106.3631 0.5 1 674 150 151 GLY H H 7.8263 0.03 1 675 150 151 GLY C C 173.8638 0.3 1 676 150 151 GLY CA C 48.0236 0.3 1 677 150 151 GLY N N 108.8935 0.5 1 678 151 152 VAL H H 7.2664 0.03 1 679 151 152 VAL C C 179.0070 0.3 1 680 151 152 VAL CA C 66.4500 0.3 1 681 151 152 VAL CB C 31.1826 0.3 1 682 151 152 VAL N N 120.8475 0.5 1 683 152 153 LEU H H 8.0854 0.03 1 684 152 153 LEU C C 179.2062 0.3 1 685 152 153 LEU CA C 58.1471 0.3 1 686 152 153 LEU CB C 43.2664 0.3 1 687 152 153 LEU N N 119.9477 0.5 1 688 153 154 VAL H H 9.3941 0.03 1 689 153 154 VAL C C 177.3025 0.3 1 690 153 154 VAL CA C 67.4762 0.3 1 691 153 154 VAL CB C 31.3574 0.3 1 692 153 154 VAL N N 119.8559 0.5 1 693 154 155 ALA H H 8.1662 0.03 1 694 154 155 ALA C C 179.0630 0.3 1 695 154 155 ALA CA C 55.9289 0.3 1 696 154 155 ALA CB C 17.2047 0.3 1 697 154 155 ALA N N 119.4868 0.5 1 698 155 156 SER H H 7.9615 0.03 1 699 155 156 SER C C 177.3455 0.3 1 700 155 156 SER CA C 61.5757 0.3 1 701 155 156 SER CB C 62.7614 0.3 1 702 155 156 SER N N 112.0693 0.5 1 703 156 157 HIS H H 7.9782 0.03 1 704 156 157 HIS C C 176.9991 0.3 1 705 156 157 HIS CA C 59.1061 0.3 1 706 156 157 HIS CB C 27.6895 0.3 1 707 156 157 HIS N N 122.5839 0.5 1 708 157 158 LEU H H 8.6068 0.03 1 709 157 158 LEU C C 177.9714 0.3 1 710 157 158 LEU CA C 57.7990 0.3 1 711 157 158 LEU CB C 41.0514 0.3 1 712 157 158 LEU N N 122.2954 0.5 1 713 158 159 GLN H H 8.1288 0.03 1 714 158 159 GLN C C 179.5807 0.3 1 715 158 159 GLN CA C 59.3162 0.3 1 716 158 159 GLN CB C 27.6198 0.3 1 717 158 159 GLN N N 117.5744 0.5 1 718 159 160 SER H H 7.5980 0.03 1 719 159 160 SER C C 176.2399 0.3 1 720 159 160 SER CA C 62.2429 0.3 1 721 159 160 SER CB C 62.3638 0.3 1 722 159 160 SER N N 115.7470 0.5 1 723 160 161 PHE H H 8.3185 0.03 1 724 160 161 PHE C C 178.8799 0.3 1 725 160 161 PHE CA C 61.4706 0.3 1 726 160 161 PHE CB C 39.3501 0.3 1 727 160 161 PHE N N 124.4120 0.5 1 728 161 162 LEU H H 9.0165 0.03 1 729 161 162 LEU C C 178.3856 0.3 1 730 161 162 LEU CA C 56.8855 0.3 1 731 161 162 LEU CB C 41.2534 0.3 1 732 161 162 LEU N N 120.1575 0.5 1 733 162 163 GLU H H 8.0288 0.03 1 734 162 163 GLU C C 179.2342 0.3 1 735 162 163 GLU CA C 59.3757 0.3 1 736 162 163 GLU CB C 28.1426 0.3 1 737 162 163 GLU N N 121.0646 0.5 1 738 163 164 VAL H H 7.5108 0.03 1 739 163 164 VAL C C 178.3317 0.3 1 740 163 164 VAL CA C 66.5925 0.3 1 741 163 164 VAL CB C 31.1000 0.3 1 742 163 164 VAL N N 119.4327 0.5 1 743 164 165 SER H H 8.0635 0.03 1 744 164 165 SER C C 174.8601 0.3 1 745 164 165 SER N N 115.8033 0.5 1 746 165 166 TYR H H 8.6791 0.03 1 747 165 166 TYR C C 176.1426 0.3 1 748 165 166 TYR CA C 62.2025 0.3 1 749 165 166 TYR CB C 38.2232 0.3 1 750 165 166 TYR N N 121.8283 0.5 1 751 166 167 ARG H H 7.4200 0.03 1 752 166 167 ARG C C 179.7363 0.3 1 753 166 167 ARG CA C 59.9378 0.3 1 754 166 167 ARG CB C 29.8591 0.3 1 755 166 167 ARG N N 117.1045 0.5 1 756 167 168 VAL H H 8.1462 0.03 1 757 167 168 VAL C C 178.2576 0.3 1 758 167 168 VAL CA C 65.8614 0.3 1 759 167 168 VAL CB C 32.1583 0.3 1 760 167 168 VAL N N 120.2107 0.5 1 761 168 169 LEU H H 8.3002 0.03 1 762 168 169 LEU C C 178.6056 0.3 1 763 168 169 LEU CA C 58.1440 0.3 1 764 168 169 LEU CB C 41.7349 0.3 1 765 168 169 LEU N N 119.7109 0.5 1 766 169 170 ARG H H 8.4590 0.03 1 767 169 170 ARG C C 178.6045 0.3 1 768 169 170 ARG CA C 58.7243 0.3 1 769 169 170 ARG CB C 28.8408 0.3 1 770 169 170 ARG N N 117.5846 0.5 1 771 170 171 HIS H H 7.6407 0.03 1 772 170 171 HIS C C 176.4643 0.3 1 773 170 171 HIS CA C 57.9339 0.3 1 774 170 171 HIS CB C 27.6807 0.3 1 775 170 171 HIS N N 116.7973 0.5 1 776 171 172 LEU H H 7.7233 0.03 1 777 171 172 LEU C C 177.3403 0.3 1 778 171 172 LEU CA C 56.4999 0.3 1 779 171 172 LEU CB C 42.2078 0.3 1 780 171 172 LEU N N 118.0256 0.5 1 781 172 173 ALA H H 7.5839 0.03 1 782 172 173 ALA C C 176.9628 0.3 1 783 172 173 ALA CA C 52.7259 0.3 1 784 172 173 ALA CB C 18.9285 0.3 1 785 172 173 ALA N N 119.9472 0.5 1 786 173 174 GLN H H 7.6619 0.03 1 787 173 174 GLN CA C 53.4140 0.3 1 788 173 174 GLN CB C 28.9792 0.3 1 789 173 174 GLN N N 118.5875 0.5 1 stop_ save_