data_18295 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor A37G ; _BMRB_accession_number 18295 _BMRB_flat_file_name bmr18295.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 A38G' 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" 155 "13C chemical shifts" 471 "15N chemical shifts" 153 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' 18293 'Granulocyte colony-stimulating factor A29G' 18294 'Granulocyte colony-stimulating factor A30G' stop_ save_ ############################# # Citation for this entry # ############################# save_metGCSF_A38G _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 A37G' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Granulocyte colony-stimulating factor A37G' $metGCSFA38G 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_metGCSFA38G _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common metGCSFA38G _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MTPLGPASSLPQSFLLKCLE QVRKIQGDGAALQEKLCGTY 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 GLY 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 2015-09-16 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 3.73e-118 BMRB 18293 metGCSFA30G 100.00 175 98.86 98.86 2.14e-117 BMRB 18294 metGCSFA31G 100.00 175 98.86 98.86 2.14e-117 PDB 1CD9 "2:2 Complex Of G-Csf With Its Receptor" 100.00 175 99.43 99.43 3.73e-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 3.17e-116 PDB 1PGR "2:2 Complex Of G-Csf With Its Receptor" 100.00 175 99.43 99.43 3.73e-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 2.28e-117 PDB 2D9Q "Crystal Structure Of The Human Gcsf-Receptor Signaling Complex" 99.43 174 99.43 99.43 2.28e-117 DBJ BAF82936 "unnamed protein product [Homo sapiens]" 99.43 200 99.43 99.43 5.66e-117 DBJ BAG36289 "unnamed protein product [Homo sapiens]" 99.43 204 99.43 99.43 3.49e-117 DBJ BAJ21174 "colony stimulating factor 3 [synthetic construct]" 99.43 204 99.43 99.43 3.49e-117 EMBL CAA27168 "unnamed protein product [Homo sapiens]" 101.14 207 97.74 97.74 3.88e-115 EMBL CAA27290 "G-CSF protein [Homo sapiens]" 99.43 204 99.43 99.43 3.49e-117 EMBL CAA27291 "G-CSF protein [Homo sapiens]" 101.14 207 97.74 97.74 3.88e-115 EMBL CAG46689 "CSF3 [Homo sapiens]" 99.43 204 99.43 99.43 3.49e-117 GB AAA03056 "human granulocyte-colony stimulating factor, partial [Homo sapiens]" 99.43 186 99.43 99.43 3.13e-117 GB AAA35882 "granulocyte colony stimulating factor precursor [Homo sapiens]" 99.43 204 99.43 99.43 3.49e-117 GB AAH33245 "Colony stimulating factor 3 (granulocyte) [Homo sapiens]" 99.43 200 99.43 99.43 5.66e-117 GB AAK62469 "colony stimulating factor 3 (granulocyte) [Homo sapiens]" 101.14 207 97.74 97.74 3.88e-115 GB AAV38741 "colony stimulating factor 3 (granulocyte) [synthetic construct]" 99.43 205 98.85 99.43 3.98e-117 PRF 1203374A "colony stimulating factor,granulocyte" 101.14 207 97.74 97.74 3.88e-115 REF NP_000750 "granulocyte colony-stimulating factor isoform a precursor [Homo sapiens]" 101.14 207 97.74 97.74 3.88e-115 REF NP_757373 "granulocyte colony-stimulating factor isoform b precursor [Homo sapiens]" 99.43 204 99.43 99.43 3.49e-117 REF XP_002827665 "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Pongo abelii]" 99.43 204 97.13 98.85 2.50e-115 REF XP_003278307 "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Nomascus leucogenys]" 99.43 204 97.13 97.70 3.22e-114 REF XP_003831483 "PREDICTED: granulocyte colony-stimulating factor isoform X1 [Pan paniscus]" 99.43 204 99.43 99.43 3.49e-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 3.88e-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 $metGCSFA38G 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 31 ; 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 $metGCSFA38G '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 $metGCSFA38G 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 A37G' _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 172.1066 0.3 1 2 0 1 MET CA C 54.9061 0.3 1 3 0 1 MET CB C 32.3751 0.3 1 4 1 2 THR H H 8.6142 0.03 1 5 1 2 THR CA C 60.0605 0.3 1 6 1 2 THR CB C 69.8520 0.3 1 7 1 2 THR N N 121.0435 0.5 1 8 2 3 PRO C C 176.5764 0.3 1 9 2 3 PRO CA C 63.0328 0.3 1 10 2 3 PRO CB C 31.8622 0.3 1 11 3 4 LEU H H 8.2777 0.03 1 12 3 4 LEU C C 177.4763 0.3 1 13 3 4 LEU CA C 55.0874 0.3 1 14 3 4 LEU CB C 42.3947 0.3 1 15 3 4 LEU N N 122.51154 0.5 1 16 4 5 GLY H H 8.1181 0.03 1 17 4 5 GLY CA C 44.5732 0.3 1 18 4 5 GLY N N 109.4729 0.5 1 19 5 6 PRO C C 176.6128 0.3 1 20 5 6 PRO CA C 62.7885 0.3 1 21 5 6 PRO CB C 33.1860 0.3 1 22 6 7 ALA H H 8.4656 0.03 1 23 6 7 ALA C C 177.4776 0.3 1 24 6 7 ALA CA C 52.5278 0.3 1 25 6 7 ALA CB C 18.9081 0.3 1 26 6 7 ALA N N 124.1178 0.5 1 27 7 8 SER H H 8.2182 0.03 1 28 7 8 SER C C 173.8553 0.3 1 29 7 8 SER CA C 58.2685 0.3 1 30 7 8 SER CB C 63.9022 0.3 1 31 7 8 SER N N 114.2967 0.5 1 32 8 9 SER H H 7.9746 0.03 1 33 8 9 SER C C 173.4555 0.3 1 34 8 9 SER CA C 57.9127 0.3 1 35 8 9 SER CB C 64.1504 0.3 1 36 8 9 SER N N 116.2317 0.5 1 37 9 10 LEU H H 8.3430 0.03 1 38 9 10 LEU HD1 H 0.0000 0.03 2 39 9 10 LEU CA C 51.9170 0.3 1 40 9 10 LEU CB C 42.4097 0.3 1 41 9 10 LEU N N 121.9238 0.5 1 42 10 11 PRO C C 178.0293 0.3 1 43 10 11 PRO CA C 62.4987 0.3 1 44 10 11 PRO CB C 31.7462 0.3 1 45 11 12 GLN H H 9.0357 0.03 1 46 11 12 GLN C C 178.0794 0.3 1 47 11 12 GLN CA C 59.3330 0.3 1 48 11 12 GLN CB C 28.0816 0.3 1 49 11 12 GLN N N 125.3526 0.5 1 50 12 13 SER H H 8.7738 0.03 1 51 12 13 SER HG H 8.3350 0 1 52 12 13 SER C C 177.0229 0.3 1 53 12 13 SER CA C 61.0227 0.3 1 54 12 13 SER CB C 61.2936 0.3 1 55 12 13 SER N N 112.3773 0.5 1 56 13 14 PHE H H 6.9685 0.03 1 57 13 14 PHE C C 176.6537 0.3 1 58 13 14 PHE CA C 60.0800 0.3 1 59 13 14 PHE CB C 38.8513 0.3 1 60 13 14 PHE N N 122.8130 0.5 1 61 14 15 LEU H H 7.6302 0.03 1 62 14 15 LEU C C 178.4264 0.3 1 63 14 15 LEU CA C 58.2456 0.3 1 64 14 15 LEU CB C 41.5699 0.3 1 65 14 15 LEU N N 121.3374 0.5 1 66 15 16 LEU H H 8.3901 0.03 1 67 15 16 LEU C C 179.7795 0.3 1 68 15 16 LEU CA C 58.1497 0.3 1 69 15 16 LEU CB C 40.9866 0.3 1 70 15 16 LEU N N 117.1783 0.5 1 71 16 17 LYS H H 7.4460 0.03 1 72 16 17 LYS C C 179.1296 0.3 1 73 16 17 LYS CA C 59.1745 0.3 1 74 16 17 LYS CB C 31.6222 0.3 1 75 16 17 LYS N N 120.5910 0.5 1 76 17 18 CYS H H 8.0250 0.03 1 77 17 18 CYS C C 176.5620 0.3 1 78 17 18 CYS CA C 63.9780 0.3 1 79 17 18 CYS CB C 27.6120 0.3 1 80 17 18 CYS N N 116.5769 0.5 1 81 18 19 LEU H H 8.0746 0.03 1 82 18 19 LEU C C 179.0050 0.3 1 83 18 19 LEU CA C 58.5461 0.3 1 84 18 19 LEU CB C 40.7153 0.3 1 85 18 19 LEU N N 118.9644 0.5 1 86 19 20 GLU H H 7.5878 0.03 1 87 19 20 GLU C C 179.1534 0.3 1 88 19 20 GLU CA C 58.7685 0.3 1 89 19 20 GLU CB C 27.8293 0.3 1 90 19 20 GLU N N 118.1273 0.5 1 91 20 21 GLN H H 8.0775 0.03 1 92 20 21 GLN C C 178.5862 0.3 1 93 20 21 GLN CA C 59.3051 0.3 1 94 20 21 GLN CB C 27.5920 0.3 1 95 20 21 GLN N N 120.8662 0.5 1 96 21 22 VAL H H 8.3415 0.03 1 97 21 22 VAL C C 177.3656 0.3 1 98 21 22 VAL CA C 67.4747 0.3 1 99 21 22 VAL CB C 31.0234 0.3 1 100 21 22 VAL N N 119.7243 0.5 1 101 22 23 ARG H H 7.4960 0.03 1 102 22 23 ARG C C 179.7109 0.3 1 103 22 23 ARG CA C 58.6137 0.3 1 104 22 23 ARG CB C 29.5875 0.3 1 105 22 23 ARG N N 117.6750 0.5 1 106 23 24 LYS H H 7.7942 0.03 1 107 23 24 LYS C C 179.0139 0.3 1 108 23 24 LYS CA C 59.1726 0.3 1 109 23 24 LYS CB C 32.3919 0.3 1 110 23 24 LYS N N 121.6460 0.5 1 111 24 25 ILE H H 8.1584 0.03 1 112 24 25 ILE C C 177.1206 0.3 1 113 24 25 ILE CA C 64.9167 0.3 1 114 24 25 ILE CB C 37.1610 0.3 1 115 24 25 ILE N N 119.4630 0.5 1 116 25 26 GLN H H 8.6993 0.03 1 117 25 26 GLN C C 180.2954 0.3 1 118 25 26 GLN CA C 59.3202 0.3 1 119 25 26 GLN CB C 28.3716 0.3 1 120 25 26 GLN N N 121.6309 0.5 1 121 26 27 GLY H H 7.9239 0.03 1 122 26 27 GLY C C 176.9500 0.3 1 123 26 27 GLY CA C 47.0328 0.3 1 124 26 27 GLY N N 107.6068 0.5 1 125 27 28 ASP H H 8.3710 0.03 1 126 27 28 ASP C C 179.4317 0.3 1 127 27 28 ASP CA C 55.8011 0.3 1 128 27 28 ASP CB C 39.2576 0.3 1 129 27 28 ASP N N 124.2000 0.5 1 130 28 29 GLY H H 9.2060 0.03 1 131 28 29 GLY CA C 46.6725 0.3 1 132 28 29 GLY N N 109.4084 0.5 1 133 29 30 ALA C C 174.9626 0.3 1 134 30 31 ALA H H 8.1277 0.03 1 135 30 31 ALA C C 180.4605 0.3 1 136 30 31 ALA CA C 54.8231 0.3 1 137 30 31 ALA CB C 17.3493 0.3 1 138 30 31 ALA N N 125.5896 0.5 1 139 31 32 LEU H H 7.4843 0.03 1 140 31 32 LEU C C 177.9480 0.3 1 141 31 32 LEU CA C 58.2193 0.3 1 142 31 32 LEU CB C 41.3966 0.3 1 143 31 32 LEU N N 118.5061 0.5 1 144 32 33 GLN H H 8.4275 0.03 1 145 32 33 GLN C C 179.0390 0.3 1 146 32 33 GLN CA C 59.9914 0.3 1 147 32 33 GLN CB C 29.0259 0.3 1 148 32 33 GLN N N 118.0483 0.5 1 149 33 34 GLU H H 8.5898 0.03 1 150 33 34 GLU C C 179.3324 0.3 1 151 33 34 GLU CA C 58.7260 0.3 1 152 33 34 GLU CB C 27.6407 0.3 1 153 33 34 GLU N N 119.8561 0.5 1 154 34 35 LYS H H 7.8880 0.03 1 155 34 35 LYS C C 179.8114 0.3 1 156 34 35 LYS CA C 58.9464 0.3 1 157 34 35 LYS CB C 32.4851 0.3 1 158 34 35 LYS N N 120.7917 0.5 1 159 35 36 LEU H H 8.4724 0.03 1 160 35 36 LEU C C 178.8226 0.3 1 161 35 36 LEU CA C 58.7961 0.3 1 162 35 36 LEU CB C 41.4984 0.3 1 163 35 36 LEU N N 121.3592 0.5 1 164 36 37 CYS H H 7.9846 0.03 1 165 36 37 CYS CA C 56.9065 0.3 1 166 36 37 CYS CB C 37.6149 0.3 1 167 36 37 CYS N N 117.3595 0.5 1 168 38 39 THR C C 175.1557 0.3 1 169 38 39 THR CA C 65.3346 0.3 1 170 38 39 THR CB C 69.1710 0.3 1 171 39 40 TYR H H 6.9229 0.03 1 172 39 40 TYR C C 174.5307 0.3 1 173 39 40 TYR CA C 56.9952 0.3 1 174 39 40 TYR CB C 38.8929 0.3 1 175 39 40 TYR N N 115.5364 0.5 1 176 40 41 LYS H H 7.5316 0.03 1 177 40 41 LYS C C 176.1413 0.3 1 178 40 41 LYS CA C 57.5553 0.3 1 179 40 41 LYS CB C 28.2801 0.3 1 180 40 41 LYS N N 114.1400 0.5 1 181 41 42 LEU H H 7.0804 0.03 1 182 41 42 LEU C C 175.6636 0.3 1 183 41 42 LEU CA C 53.3299 0.3 1 184 41 42 LEU CB C 41.7993 0.3 1 185 41 42 LEU N N 121.3920 0.5 1 186 42 43 CYS H H 7.9343 0.03 1 187 42 43 CYS CA C 56.9260 0.3 1 188 42 43 CYS CB C 42.3030 0.3 1 189 42 43 CYS N N 119.5347 0.5 1 190 44 45 PRO C C 177.7386 0.3 1 191 44 45 PRO CA C 62.6171 0.3 1 192 45 46 GLU H H 8.0449 0.03 1 193 45 46 GLU C C 177.7708 0.3 1 194 45 46 GLU CA C 58.7563 0.3 1 195 45 46 GLU CB C 27.5599 0.3 1 196 45 46 GLU N N 120.8574 0.5 1 197 46 47 GLU H H 7.5932 0.03 1 198 46 47 GLU C C 177.1100 0.3 1 199 46 47 GLU CA C 56.8807 0.3 1 200 46 47 GLU CB C 28.9758 0.3 1 201 46 47 GLU N N 117.3540 0.5 1 202 47 48 LEU H H 7.6368 0.03 1 203 47 48 LEU C C 176.6645 0.3 1 204 47 48 LEU CA C 54.1046 0.3 1 205 47 48 LEU CB C 42.2577 0.3 1 206 47 48 LEU N N 118.3500 0.5 1 207 48 49 VAL H H 7.1224 0.03 1 208 48 49 VAL C C 178.1574 0.3 1 209 48 49 VAL CA C 65.6439 0.3 1 210 48 49 VAL CB C 31.7659 0.3 1 211 48 49 VAL N N 119.3368 0.5 1 212 49 50 LEU H H 8.4204 0.03 1 213 49 50 LEU C C 179.5378 0.3 1 214 49 50 LEU CA C 58.0214 0.3 1 215 49 50 LEU CB C 40.6308 0.3 1 216 49 50 LEU N N 121.8913 0.5 1 217 50 51 LEU H H 7.9334 0.03 1 218 50 51 LEU C C 179.2409 0.3 1 219 50 51 LEU CA C 57.1392 0.3 1 220 50 51 LEU CB C 41.0046 0.3 1 221 50 51 LEU N N 122.0871 0.5 1 222 51 52 GLY H H 8.2186 0.03 1 223 51 52 GLY C C 175.7960 0.3 1 224 51 52 GLY CA C 47.6778 0.3 1 225 51 52 GLY N N 105.4197 0.5 1 226 52 53 HIS H H 7.9516 0.03 1 227 52 53 HIS C C 176.9548 0.3 1 228 52 53 HIS CA C 57.6346 0.3 1 229 52 53 HIS CB C 28.1239 0.3 1 230 52 53 HIS N N 118.4735 0.5 1 231 53 54 SER H H 8.4460 0.03 1 232 53 54 SER C C 175.6581 0.3 1 233 53 54 SER CA C 60.8475 0.3 1 234 53 54 SER CB C 62.8382 0.3 1 235 53 54 SER N N 116.8980 0.5 1 236 54 55 LEU H H 8.0087 0.03 1 237 54 55 LEU C C 177.3359 0.3 1 238 54 55 LEU CA C 55.3537 0.3 1 239 54 55 LEU CB C 42.8236 0.3 1 240 54 55 LEU N N 119.6982 0.5 1 241 55 56 GLY H H 7.5522 0.03 1 242 55 56 GLY C C 174.5326 0.3 1 243 55 56 GLY CA C 46.3935 0.3 1 244 55 56 GLY N N 107.0486 0.5 1 245 56 57 ILE H H 7.3455 0.03 1 246 56 57 ILE CA C 58.9712 0.3 1 247 56 57 ILE CB C 38.1797 0.3 1 248 56 57 ILE N N 119.5300 0.5 1 249 57 58 PRO C C 174.4114 0.3 1 250 57 58 PRO CA C 61.6431 0.3 1 251 57 58 PRO CB C 31.0904 0.3 1 252 58 59 TRP H H 7.7673 0.03 1 253 58 59 TRP C C 176.1180 0.3 1 254 58 59 TRP CA C 55.0382 0.3 1 255 58 59 TRP CB C 30.0244 0.3 1 256 58 59 TRP N N 120.1380 0.5 1 257 59 60 ALA H H 7.1555 0.03 1 258 59 60 ALA CA C 49.9567 0.3 1 259 59 60 ALA CB C 19.9550 0.3 1 260 59 60 ALA N N 125.9544 0.5 1 261 60 61 PRO C C 176.2231 0.3 1 262 60 61 PRO CA C 62.2048 0.3 1 263 60 61 PRO CB C 33.1262 0.3 1 264 61 62 LEU H H 8.4955 0.03 1 265 61 62 LEU C C 177.9610 0.3 1 266 61 62 LEU CA C 54.4326 0.3 1 267 61 62 LEU CB C 42.4153 0.3 1 268 61 62 LEU N N 120.5053 0.5 1 269 62 63 SER H H 7.4264 0.03 1 270 62 63 SER C C 175.9486 0.3 1 271 62 63 SER CA C 59.3172 0.3 1 272 62 63 SER CB C 63.3478 0.3 1 273 62 63 SER N N 116.0172 0.5 1 274 63 64 SER H H 9.6972 0.03 1 275 63 64 SER C C 173.0635 0.3 1 276 63 64 SER CA C 58.6248 0.3 1 277 63 64 SER CB C 62.7613 0.3 1 278 63 64 SER N N 118.3711 0.5 1 279 64 65 CYS H H 7.8817 0.03 1 280 64 65 CYS CA C 53.3829 0.3 1 281 64 65 CYS CB C 43.0731 0.3 1 282 64 65 CYS N N 118.0013 0.5 1 283 65 66 PRO C C 176.0309 0.3 1 284 65 66 PRO CA C 63.5044 0.3 1 285 65 66 PRO CB C 32.1463 0.3 1 286 66 67 SER H H 8.2569 0.03 1 287 66 67 SER C C 174.5983 0.3 1 288 66 67 SER CA C 60.2659 0.3 1 289 66 67 SER CB C 62.8966 0.3 1 290 66 67 SER N N 113.0660 0.5 1 291 67 68 GLN H H 7.7596 0.03 1 292 67 68 GLN C C 174.5875 0.3 1 293 67 68 GLN CA C 55.3208 0.3 1 294 67 68 GLN CB C 29.5333 0.3 1 295 67 68 GLN N N 117.9607 0.5 1 296 68 69 ALA H H 8.2908 0.03 1 297 68 69 ALA C C 176.1268 0.3 1 298 68 69 ALA CA C 52.4248 0.3 1 299 68 69 ALA CB C 17.1936 0.3 1 300 68 69 ALA N N 123.3648 0.5 1 301 69 70 LEU H H 7.7063 0.03 1 302 69 70 LEU C C 176.7542 0.3 1 303 69 70 LEU CA C 56.5366 0.3 1 304 69 70 LEU CB C 41.9708 0.3 1 305 69 70 LEU N N 120.5672 0.5 1 306 70 71 GLN H H 8.7048 0.03 1 307 70 71 GLN C C 175.9307 0.3 1 308 70 71 GLN CA C 54.4290 0.3 1 309 70 71 GLN CB C 28.4637 0.3 1 310 70 71 GLN N N 125.6137 0.5 1 311 71 72 LEU H H 8.5835 0.03 1 312 71 72 LEU C C 177.7338 0.3 1 313 71 72 LEU CA C 59.1335 0.3 1 314 71 72 LEU CB C 41.9593 0.3 1 315 71 72 LEU N N 126.0886 0.5 1 316 72 73 ALA H H 8.8054 0.03 1 317 72 73 ALA C C 180.6056 0.3 1 318 72 73 ALA CA C 56.1499 0.3 1 319 72 73 ALA CB C 17.4774 0.3 1 320 72 73 ALA N N 120.0063 0.5 1 321 73 74 GLY H H 7.8007 0.03 1 322 73 74 GLY C C 175.9979 0.3 1 323 73 74 GLY CA C 46.9124 0.3 1 324 73 74 GLY N N 105.8810 0.5 1 325 74 75 CYS H H 8.1634 0.03 1 326 74 75 CYS C C 176.0482 0.3 1 327 74 75 CYS CA C 58.3651 0.3 1 328 74 75 CYS CB C 38.7243 0.3 1 329 74 75 CYS N N 120.2120 0.5 1 330 75 76 LEU H H 8.7019 0.03 1 331 75 76 LEU C C 178.7729 0.3 1 332 75 76 LEU CA C 58.4999 0.3 1 333 75 76 LEU CB C 40.4965 0.3 1 334 75 76 LEU N N 117.5806 0.5 1 335 76 77 SER H H 8.1102 0.03 1 336 76 77 SER C C 174.9137 0.3 1 337 76 77 SER CA C 59.9224 0.3 1 338 76 77 SER CB C 63.2306 0.3 1 339 76 77 SER N N 111.9398 0.5 1 340 77 78 GLN H H 8.1108 0.03 1 341 77 78 GLN C C 180.3427 0.3 1 342 77 78 GLN CA C 59.7228 0.3 1 343 77 78 GLN CB C 28.8359 0.3 1 344 77 78 GLN N N 119.5348 0.5 1 345 78 79 LEU H H 8.9132 0.03 1 346 78 79 LEU C C 178.4182 0.3 1 347 78 79 LEU CA C 58.8567 0.3 1 348 78 79 LEU CB C 42.1484 0.3 1 349 78 79 LEU N N 124.4031 0.5 1 350 79 80 HIS H H 8.9104 0.03 1 351 79 80 HIS C C 176.2625 0.3 1 352 79 80 HIS CA C 62.3954 0.3 1 353 79 80 HIS CB C 28.1998 0.3 1 354 79 80 HIS N N 116.3393 0.5 1 355 80 81 SER H H 9.1102 0.03 1 356 80 81 SER C C 177.4470 0.3 1 357 80 81 SER CB C 62.2502 0.3 1 358 80 81 SER N N 114.9907 0.5 1 359 81 82 GLY H H 8.5319 0.03 1 360 81 82 GLY C C 174.5597 0.3 1 361 81 82 GLY CA C 48.0173 0.3 1 362 81 82 GLY N N 111.1981 0.5 1 363 82 83 LEU H H 8.0019 0.03 1 364 82 83 LEU C C 178.0619 0.3 1 365 82 83 LEU CA C 58.1645 0.3 1 366 82 83 LEU CB C 42.2247 0.3 1 367 82 83 LEU N N 121.1272 0.5 1 368 83 84 PHE H H 8.0528 0.03 1 369 83 84 PHE C C 178.4199 0.3 1 370 83 84 PHE CA C 60.2671 0.3 1 371 83 84 PHE CB C 38.2815 0.3 1 372 83 84 PHE N N 119.2360 0.5 1 373 84 85 LEU H H 7.8799 0.03 1 374 84 85 LEU C C 175.5900 0.3 1 375 84 85 LEU CA C 58.5400 0.3 1 376 84 85 LEU CB C 38.7741 0.3 1 377 84 85 LEU N N 122.8982 0.5 1 378 85 86 TYR H H 7.9010 0.03 1 379 85 86 TYR C C 178.6447 0.3 1 380 85 86 TYR CA C 64.7762 0.3 1 381 85 86 TYR CB C 37.1908 0.3 1 382 85 86 TYR N N 122.5900 0.5 1 383 86 87 GLN H H 8.7557 0.03 1 384 86 87 GLN C C 178.5601 0.3 1 385 86 87 GLN CA C 60.2273 0.3 1 386 86 87 GLN CB C 28.6897 0.3 1 387 86 87 GLN N N 119.9240 0.5 1 388 87 88 GLY H H 7.6104 0.03 1 389 87 88 GLY CA C 47.0338 0.3 1 390 87 88 GLY N N 107.2958 0.5 1 391 88 89 LEU C C 178.0396 0.3 1 392 88 89 LEU CA C 57.9430 0.3 1 393 88 89 LEU CB C 42.9643 0.3 1 394 89 90 LEU H H 8.3689 0.03 1 395 89 90 LEU C C 180.1428 0.3 1 396 89 90 LEU CA C 57.6084 0.3 1 397 89 90 LEU CB C 41.2776 0.3 1 398 89 90 LEU N N 115.4524 0.5 1 399 90 91 GLN H H 7.8676 0.03 1 400 90 91 GLN C C 178.6943 0.3 1 401 90 91 GLN CA C 58.6874 0.3 1 402 90 91 GLN CB C 28.1357 0.3 1 403 90 91 GLN N N 119.5444 0.5 1 404 91 92 ALA H H 7.7810 0.03 1 405 91 92 ALA C C 177.9083 0.3 1 406 91 92 ALA CA C 53.9568 0.3 1 407 91 92 ALA CB C 17.5364 0.3 1 408 91 92 ALA N N 121.5213 0.5 1 409 92 93 LEU H H 7.1536 0.03 1 410 92 93 LEU C C 176.6433 0.3 1 411 92 93 LEU CA C 55.7061 0.3 1 412 92 93 LEU CB C 41.1383 0.3 1 413 92 93 LEU N N 115.7809 0.5 1 414 93 94 GLU H H 7.8324 0.03 1 415 93 94 GLU C C 176.6229 0.3 1 416 93 94 GLU CA C 56.3292 0.3 1 417 93 94 GLU CB C 26.0211 0.3 1 418 93 94 GLU N N 115.0512 0.5 1 419 94 95 GLY H H 8.8897 0.03 1 420 94 95 GLY C C 173.7258 0.3 1 421 94 95 GLY CA C 46.0475 0.3 1 422 94 95 GLY N N 107.1339 0.5 1 423 95 96 ILE H H 7.5088 0.03 1 424 95 96 ILE N N 110.5926 0.5 1 425 97 98 PRO C C 178.9868 0.3 1 426 97 98 PRO CA C 65.6802 0.3 1 427 97 98 PRO CB C 31.5921 0.3 1 428 98 99 GLU H H 8.7746 0.03 1 429 98 99 GLU C C 177.3337 0.3 1 430 98 99 GLU CA C 58.5730 0.3 1 431 98 99 GLU CB C 28.0391 0.3 1 432 98 99 GLU N N 115.1795 0.5 1 433 99 100 LEU H H 7.6769 0.03 1 434 99 100 LEU C C 176.9322 0.3 1 435 99 100 LEU CA C 54.5039 0.3 1 436 99 100 LEU CB C 42.4005 0.3 1 437 99 100 LEU N N 121.0856 0.5 1 438 100 101 GLY H H 7.8175 0.03 1 439 100 101 GLY CA C 48.9504 0.3 1 440 100 101 GLY N N 108.0963 0.5 1 441 101 102 PRO C C 179.1382 0.3 1 442 101 102 PRO CA C 65.7308 0.3 1 443 101 102 PRO CB C 31.7300 0.3 1 444 102 103 THR H H 7.4824 0.03 1 445 102 103 THR C C 177.0510 0.3 1 446 102 103 THR CA C 66.6790 0.3 1 447 102 103 THR CB C 68.3725 0.3 1 448 102 103 THR N N 114.1585 0.5 1 449 103 104 LEU H H 8.1835 0.03 1 450 103 104 LEU C C 177.9745 0.3 1 451 103 104 LEU CA C 57.7355 0.3 1 452 103 104 LEU CB C 41.0590 0.3 1 453 103 104 LEU N N 124.6874 0.5 1 454 104 105 ASP H H 8.9918 0.03 1 455 104 105 ASP C C 177.9228 0.3 1 456 104 105 ASP CA C 56.5685 0.3 1 457 104 105 ASP CB C 38.0127 0.3 1 458 104 105 ASP N N 119.9684 0.5 1 459 105 106 THR H H 7.8407 0.03 1 460 105 106 THR C C 174.6124 0.3 1 461 105 106 THR CA C 66.9564 0.3 1 462 105 106 THR CB C 69.1592 0.3 1 463 105 106 THR N N 117.0655 0.5 1 464 106 107 LEU H H 7.0979 0.03 1 465 106 107 LEU C C 177.5969 0.3 1 466 106 107 LEU CA C 57.9655 0.3 1 467 106 107 LEU CB C 41.9655 0.3 1 468 106 107 LEU N N 120.3597 0.5 1 469 107 108 GLN H H 8.6294 0.03 1 470 107 108 GLN C C 178.3230 0.3 1 471 107 108 GLN CA C 60.4548 0.3 1 472 107 108 GLN CB C 29.3185 0.3 1 473 107 108 GLN N N 116.8055 0.5 1 474 108 109 LEU H H 8.1132 0.03 1 475 108 109 LEU C C 179.1154 0.3 1 476 108 109 LEU CA C 58.0684 0.3 1 477 108 109 LEU CB C 41.5175 0.3 1 478 108 109 LEU N N 121.1428 0.5 1 479 109 110 ASP H H 8.2887 0.03 1 480 109 110 ASP C C 180.0671 0.3 1 481 109 110 ASP CA C 56.9594 0.3 1 482 109 110 ASP CB C 38.7300 0.3 1 483 109 110 ASP N N 119.3962 0.5 1 484 110 111 VAL H H 8.5332 0.03 1 485 110 111 VAL CA C 67.6827 0.3 1 486 110 111 VAL CB C 31.5648 0.3 1 487 110 111 VAL N N 122.7158 0.5 1 488 111 112 ALA C C 180.7410 0.3 1 489 112 113 ASP H H 8.6347 0.03 1 490 112 113 ASP C C 178.3268 0.3 1 491 112 113 ASP CA C 56.4360 0.3 1 492 112 113 ASP CB C 38.7741 0.3 1 493 112 113 ASP N N 117.4774 0.5 1 494 113 114 PHE H H 7.8754 0.03 1 495 113 114 PHE C C 177.1213 0.3 1 496 113 114 PHE CA C 56.9306 0.3 1 497 113 114 PHE CB C 39.2986 0.3 1 498 113 114 PHE N N 122.2100 0.5 1 499 114 115 ALA H H 8.7758 0.03 1 500 114 115 ALA C C 180.2284 0.3 1 501 114 115 ALA CA C 56.3139 0.3 1 502 114 115 ALA CB C 17.0113 0.3 1 503 114 115 ALA N N 121.3562 0.5 1 504 115 116 THR H H 8.6584 0.03 1 505 115 116 THR C C 175.8574 0.3 1 506 115 116 THR CA C 66.9863 0.3 1 507 115 116 THR CB C 68.7116 0.3 1 508 115 116 THR N N 116.4165 0.5 1 509 116 117 THR H H 8.3517 0.03 1 510 116 117 THR C C 177.6319 0.3 1 511 116 117 THR CA C 67.2247 0.3 1 512 116 117 THR CB C 68.7191 0.3 1 513 116 117 THR N N 121.2667 0.5 1 514 117 118 ILE H H 8.1522 0.03 1 515 117 118 ILE CA C 65.6482 0.3 1 516 117 118 ILE CB C 37.5720 0.3 1 517 117 118 ILE N N 120.3870 0.5 1 518 118 119 TRP C C 177.6033 0.3 1 519 118 119 TRP CA C 60.4863 0.3 1 520 118 119 TRP CB C 29.5908 0.3 1 521 119 120 GLN H H 8.8669 0.03 1 522 119 120 GLN C C 178.7074 0.3 1 523 119 120 GLN CA C 58.7310 0.3 1 524 119 120 GLN CB C 27.8618 0.3 1 525 119 120 GLN N N 115.9164 0.5 1 526 120 121 GLN H H 7.3898 0.03 1 527 120 121 GLN C C 178.4000 0.3 1 528 120 121 GLN CA C 57.6364 0.3 1 529 120 121 GLN CB C 29.5582 0.3 1 530 120 121 GLN N N 119.4103 0.5 1 531 121 122 MET H H 8.1736 0.03 1 532 121 122 MET C C 178.3751 0.3 1 533 121 122 MET CA C 59.9757 0.3 1 534 121 122 MET CB C 32.8661 0.3 1 535 121 122 MET N N 118.3544 0.5 1 536 122 123 GLU H H 8.1780 0.03 1 537 122 123 GLU C C 180.0619 0.3 1 538 122 123 GLU CA C 58.6247 0.3 1 539 122 123 GLU CB C 27.6373 0.3 1 540 122 123 GLU N N 118.4800 0.5 1 541 123 124 GLU H H 7.7639 0.03 1 542 123 124 GLU C C 177.6372 0.3 1 543 123 124 GLU CA C 58.5778 0.3 1 544 123 124 GLU CB C 27.6902 0.3 1 545 123 124 GLU N N 120.4192 0.5 1 546 124 125 LEU H H 7.2919 0.03 1 547 124 125 LEU C C 176.9223 0.3 1 548 124 125 LEU CA C 54.5037 0.3 1 549 124 125 LEU CB C 42.2959 0.3 1 550 124 125 LEU N N 116.1705 0.5 1 551 125 126 GLY H H 7.6294 0.03 1 552 125 126 GLY C C 175.0392 0.3 1 553 125 126 GLY CA C 46.3090 0.3 1 554 125 126 GLY N N 108.0718 0.5 1 555 126 127 MET H H 7.8727 0.03 1 556 126 127 MET C C 174.1974 0.3 1 557 126 127 MET CA C 55.1018 0.3 1 558 126 127 MET CB C 33.5235 0.3 1 559 126 127 MET N N 116.1448 0.5 1 560 127 128 ALA H H 7.6198 0.03 1 561 127 128 ALA CA C 49.8469 0.3 1 562 127 128 ALA CB C 17.5999 0.3 1 563 127 128 ALA N N 123.3519 0.5 1 564 128 129 PRO C C 175.5690 0.3 1 565 128 129 PRO CA C 62.1730 0.3 1 566 128 129 PRO CB C 31.7790 0.3 1 567 129 130 ALA H H 8.1720 0.03 1 568 129 130 ALA C C 177.6527 0.3 1 569 129 130 ALA CA C 52.7737 0.3 1 570 129 130 ALA CB C 18.7738 0.3 1 571 129 130 ALA N N 122.2548 0.5 1 572 130 131 LEU H H 7.8626 0.03 1 573 130 131 LEU C C 176.6862 0.3 1 574 130 131 LEU CA C 54.5166 0.3 1 575 130 131 LEU CB C 42.9098 0.3 1 576 130 131 LEU N N 119.7603 0.5 1 577 131 132 GLN H H 8.0588 0.03 1 578 131 132 GLN CA C 56.2580 0.3 1 579 131 132 GLN CB C 32.9213 0.3 1 580 131 132 GLN N N 121.3263 0.5 1 581 132 133 PRO C C 176.1949 0.3 1 582 132 133 PRO CA C 62.6970 0.3 1 583 132 133 PRO CB C 31.7367 0.3 1 584 133 134 THR H H 8.1358 0.03 1 585 133 134 THR C C 174.2736 0.3 1 586 133 134 THR CA C 61.5842 0.3 1 587 133 134 THR CB C 69.9570 0.3 1 588 133 134 THR N N 114.9503 0.5 1 589 134 135 GLN H H 8.6065 0.03 1 590 134 135 GLN C C 176.1435 0.3 1 591 134 135 GLN CA C 55.7734 0.3 1 592 134 135 GLN CB C 29.8111 0.3 1 593 134 135 GLN N N 124.3035 0.5 1 594 135 136 GLY H H 8.2533 0.03 1 595 135 136 GLY C C 172.5068 0.3 1 596 135 136 GLY CA C 44.1984 0.3 1 597 135 136 GLY N N 111.2978 0.5 1 598 136 137 ALA H H 8.0491 0.03 1 599 136 137 ALA C C 177.5624 0.3 1 600 136 137 ALA CA C 52.2744 0.3 1 601 136 137 ALA CB C 18.6802 0.3 1 602 136 137 ALA N N 122.6076 0.5 1 603 137 138 MET H H 8.2876 0.03 1 604 137 138 MET CA C 52.1940 0.3 1 605 137 138 MET CB C 34.0505 0.3 1 606 137 138 MET N N 121.7306 0.5 1 607 138 139 PRO C C 174.0059 0.3 1 608 138 139 PRO CA C 62.0142 0.3 1 609 138 139 PRO CB C 31.1009 0.3 1 610 139 140 ALA H H 7.8480 0.03 1 611 139 140 ALA C C 176.5481 0.3 1 612 139 140 ALA CA C 50.6187 0.3 1 613 139 140 ALA CB C 19.0368 0.3 1 614 139 140 ALA N N 122.1173 0.5 1 615 140 141 PHE H H 8.3439 0.03 1 616 140 141 PHE C C 175.2457 0.3 1 617 140 141 PHE CA C 56.4235 0.3 1 618 140 141 PHE CB C 38.7823 0.3 1 619 140 141 PHE N N 120.4344 0.5 1 620 141 142 ALA H H 8.1075 0.03 1 621 141 142 ALA C C 177.3101 0.3 1 622 141 142 ALA CA C 54.0043 0.3 1 623 141 142 ALA CB C 19.7046 0.3 1 624 141 142 ALA N N 124.7172 0.5 1 625 142 143 SER H H 7.7957 0.03 1 626 142 143 SER C C 174.1877 0.3 1 627 142 143 SER CA C 55.8591 0.3 1 628 142 143 SER CB C 66.4305 0.3 1 629 142 143 SER N N 111.5243 0.5 1 630 143 144 ALA H H 8.9702 0.03 1 631 143 144 ALA C C 179.8179 0.3 1 632 143 144 ALA CA C 55.6781 0.3 1 633 143 144 ALA CB C 17.2486 0.3 1 634 143 144 ALA N N 124.4253 0.5 1 635 144 145 PHE H H 8.6408 0.03 1 636 144 145 PHE C C 176.8975 0.3 1 637 144 145 PHE CA C 61.6994 0.3 1 638 144 145 PHE CB C 38.7573 0.3 1 639 144 145 PHE N N 117.0905 0.5 1 640 145 146 GLN H H 7.8345 0.03 1 641 145 146 GLN C C 178.4920 0.3 1 642 145 146 GLN CA C 59.7603 0.3 1 643 145 146 GLN CB C 28.2144 0.3 1 644 145 146 GLN N N 116.0614 0.5 1 645 146 147 ARG H H 7.9196 0.03 1 646 146 147 ARG C C 177.2951 0.3 1 647 146 147 ARG CA C 60.0448 0.3 1 648 146 147 ARG CB C 30.5393 0.3 1 649 146 147 ARG N N 117.3498 0.5 1 650 147 148 ARG H H 7.7897 0.03 1 651 147 148 ARG C C 176.8420 0.3 1 652 147 148 ARG CA C 59.7333 0.3 1 653 147 148 ARG CB C 30.0047 0.3 1 654 147 148 ARG N N 118.0600 0.5 1 655 148 149 ALA H H 8.2153 0.03 1 656 148 149 ALA C C 179.9302 0.3 1 657 148 149 ALA CA C 54.5576 0.3 1 658 148 149 ALA CB C 18.2536 0.3 1 659 148 149 ALA N N 119.9560 0.5 1 660 149 150 GLY H H 8.1945 0.03 1 661 149 150 GLY C C 175.1413 0.3 1 662 149 150 GLY CA C 47.0067 0.3 1 663 149 150 GLY N N 106.3164 0.5 1 664 150 151 GLY H H 7.8475 0.03 1 665 150 151 GLY C C 173.8804 0.3 1 666 150 151 GLY CA C 47.9853 0.3 1 667 150 151 GLY N N 108.9319 0.5 1 668 151 152 VAL H H 7.3142 0.03 1 669 151 152 VAL C C 179.0280 0.3 1 670 151 152 VAL CA C 66.4145 0.3 1 671 151 152 VAL CB C 31.1796 0.3 1 672 151 152 VAL N N 120.9122 0.5 1 673 152 153 LEU H H 8.0089 0.03 1 674 152 153 LEU C C 179.2367 0.3 1 675 152 153 LEU CA C 58.0981 0.3 1 676 152 153 LEU CB C 43.0995 0.3 1 677 152 153 LEU N N 120.0181 0.5 1 678 153 154 VAL H H 9.3719 0.03 1 679 153 154 VAL C C 177.3230 0.3 1 680 153 154 VAL CA C 67.4395 0.3 1 681 153 154 VAL CB C 31.3203 0.3 1 682 153 154 VAL N N 119.8948 0.5 1 683 154 155 ALA H H 8.1975 0.03 1 684 154 155 ALA C C 179.0842 0.3 1 685 154 155 ALA CA C 55.8443 0.3 1 686 154 155 ALA CB C 17.0442 0.3 1 687 154 155 ALA N N 119.4867 0.5 1 688 155 156 SER H H 7.9600 0.03 1 689 155 156 SER C C 177.3554 0.3 1 690 155 156 SER CA C 61.6030 0.3 1 691 155 156 SER CB C 62.3365 0.3 1 692 155 156 SER N N 112.1238 0.5 1 693 156 157 HIS H H 7.9801 0.03 1 694 156 157 HIS C C 177.0126 0.3 1 695 156 157 HIS CA C 59.1157 0.3 1 696 156 157 HIS CB C 27.6611 0.3 1 697 156 157 HIS N N 122.6029 0.5 1 698 157 158 LEU H H 8.6120 0.03 1 699 157 158 LEU C C 177.9804 0.3 1 700 157 158 LEU CA C 57.7469 0.3 1 701 157 158 LEU CB C 41.0219 0.3 1 702 157 158 LEU N N 122.2907 0.5 1 703 158 159 GLN H H 8.1301 0.03 1 704 158 159 GLN C C 179.5972 0.3 1 705 158 159 GLN CA C 59.2722 0.3 1 706 158 159 GLN CB C 27.5945 0.3 1 707 158 159 GLN N N 117.5709 0.5 1 708 159 160 SER H H 7.5947 0.03 1 709 159 160 SER C C 176.2298 0.3 1 710 159 160 SER CA C 62.2500 0.3 1 711 159 160 SER CB C 62.2142 0.3 1 712 159 160 SER N N 115.7259 0.5 1 713 160 161 PHE H H 8.3170 0.03 1 714 160 161 PHE C C 178.8770 0.3 1 715 160 161 PHE CA C 61.3107 0.3 1 716 160 161 PHE CB C 39.1624 0.3 1 717 160 161 PHE N N 124.4082 0.5 1 718 161 162 LEU H H 9.0268 0.03 1 719 161 162 LEU C C 178.4194 0.3 1 720 161 162 LEU CA C 56.9072 0.3 1 721 161 162 LEU CB C 41.2072 0.3 1 722 161 162 LEU N N 120.1855 0.5 1 723 162 163 GLU H H 8.0248 0.03 1 724 162 163 GLU C C 179.2433 0.3 1 725 162 163 GLU CA C 59.3258 0.3 1 726 162 163 GLU CB C 28.1271 0.3 1 727 162 163 GLU N N 121.0301 0.5 1 728 163 164 VAL H H 7.5141 0.03 1 729 163 164 VAL C C 178.3346 0.3 1 730 163 164 VAL CA C 66.5287 0.3 1 731 163 164 VAL CB C 30.9546 0.3 1 732 163 164 VAL N N 119.4523 0.5 1 733 164 165 SER H H 8.0705 0.03 1 734 164 165 SER C C 174.8693 0.3 1 735 164 165 SER N N 115.7693 0.5 1 736 165 166 TYR H H 8.6711 0.03 1 737 165 166 TYR C C 176.1542 0.3 1 738 165 166 TYR CA C 62.1652 0.3 1 739 165 166 TYR CB C 38.0385 0.3 1 740 165 166 TYR N N 121.8039 0.5 1 741 166 167 ARG H H 7.4204 0.03 1 742 166 167 ARG C C 179.7348 0.3 1 743 166 167 ARG CA C 59.8902 0.3 1 744 166 167 ARG CB C 29.7602 0.3 1 745 166 167 ARG N N 117.1053 0.5 1 746 167 168 VAL H H 8.1566 0.03 1 747 167 168 VAL C C 178.3093 0.3 1 748 167 168 VAL CA C 65.8281 0.3 1 749 167 168 VAL CB C 27.5988 0.3 1 750 167 168 VAL N N 120.2322 0.5 1 751 168 169 LEU H H 8.2974 0.03 1 752 168 169 LEU C C 178.6096 0.3 1 753 168 169 LEU CA C 58.1222 0.3 1 754 168 169 LEU CB C 41.6531 0.3 1 755 168 169 LEU N N 119.7213 0.5 1 756 169 170 ARG H H 8.4581 0.03 1 757 169 170 ARG C C 178.6153 0.3 1 758 169 170 ARG CA C 58.7203 0.3 1 759 169 170 ARG CB C 28.8330 0.3 1 760 169 170 ARG N N 117.6037 0.5 1 761 170 171 HIS H H 7.6420 0.03 1 762 170 171 HIS C C 176.5034 0.3 1 763 170 171 HIS CA C 57.8304 0.3 1 764 170 171 HIS CB C 27.6738 0.3 1 765 170 171 HIS N N 116.7926 0.5 1 766 171 172 LEU H H 7.7234 0.03 1 767 171 172 LEU C C 177.3452 0.3 1 768 171 172 LEU CA C 56.4941 0.3 1 769 171 172 LEU CB C 42.1612 0.3 1 770 171 172 LEU N N 118.0379 0.5 1 771 172 173 ALA H H 7.5815 0.03 1 772 172 173 ALA C C 176.9657 0.3 1 773 172 173 ALA CA C 52.6631 0.3 1 774 172 173 ALA CB C 18.8031 0.3 1 775 172 173 ALA N N 119.9223 0.5 1 776 173 174 GLN H H 7.6526 0.03 1 777 173 174 GLN CA C 53.3956 0.3 1 778 173 174 GLN CB C 28.9790 0.3 1 779 173 174 GLN N N 118.5806 0.5 1 stop_ save_