data_19831 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C and 15N Chemical Shift Assignments for the cellulose-binding protein CBM3b-Cbh9A ; _BMRB_accession_number 19831 _BMRB_flat_file_name bmr19831.str _Entry_type original _Submission_date 2014-03-04 _Accession_date 2014-03-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ivanir Hadar . . 2 Goldbourt Amir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 504 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-20 original author . stop_ _Original_release_date 2015-01-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solid state NMR chemical shift assignment and conformational analysis of a cellulose binding protein facilitated by optimized glycerol enrichment' _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 Ivanir Hadar . . 2 Goldbourt Amir . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CBM3b-Cbh9A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBM3b-Cbh9A $CBM3b-Cbh9A 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_CBM3b-Cbh9A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBM3b-Cbh9A _Molecular_mass 18662.6 _Mol_thiol_state 'all free' loop_ _Biological_function 'Carbohydrate-binding module' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MDVKVQYLCENTQTSTQEIK GKFNIVNTGNRDYSLKDIVL RYYFTKEHNSQLQFICYYTP IGSGNLIPSFGGSGDEHYLQ LEFKDVKLPAGGQTGEIQFV IRYADNSFHDQSNDYSFDPT IKAFQDYGKVTLYKNGELVW GTPPGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 0 MET 22 1 ASP 23 2 VAL 24 3 LYS 25 4 VAL 26 5 GLN 27 6 TYR 28 7 LEU 29 8 CYS 30 9 GLU 31 10 ASN 32 11 THR 33 12 GLN 34 13 THR 35 14 SER 36 15 THR 37 16 GLN 38 17 GLU 39 18 ILE 40 19 LYS 41 20 GLY 42 21 LYS 43 22 PHE 44 23 ASN 45 24 ILE 46 25 VAL 47 26 ASN 48 27 THR 49 28 GLY 50 29 ASN 51 30 ARG 52 31 ASP 53 32 TYR 54 33 SER 55 34 LEU 56 35 LYS 57 36 ASP 58 37 ILE 59 38 VAL 60 39 LEU 61 40 ARG 62 41 TYR 63 42 TYR 64 43 PHE 65 44 THR 66 45 LYS 67 46 GLU 68 47 HIS 69 48 ASN 70 49 SER 71 50 GLN 72 51 LEU 73 52 GLN 74 53 PHE 75 54 ILE 76 55 CYS 77 56 TYR 78 57 TYR 79 58 THR 80 59 PRO 81 60 ILE 82 61 GLY 83 62 SER 84 63 GLY 85 64 ASN 86 65 LEU 87 66 ILE 88 67 PRO 89 68 SER 90 69 PHE 91 70 GLY 92 71 GLY 93 72 SER 94 73 GLY 95 74 ASP 96 75 GLU 97 76 HIS 98 77 TYR 99 78 LEU 100 79 GLN 101 80 LEU 102 81 GLU 103 82 PHE 104 83 LYS 105 84 ASP 106 85 VAL 107 86 LYS 108 87 LEU 109 88 PRO 110 89 ALA 111 90 GLY 112 91 GLY 113 92 GLN 114 93 THR 115 94 GLY 116 95 GLU 117 96 ILE 118 97 GLN 119 98 PHE 120 99 VAL 121 100 ILE 122 101 ARG 123 102 TYR 124 103 ALA 125 104 ASP 126 105 ASN 127 106 SER 128 107 PHE 129 108 HIS 130 109 ASP 131 110 GLN 132 111 SER 133 112 ASN 134 113 ASP 135 114 TYR 136 115 SER 137 116 PHE 138 117 ASP 139 118 PRO 140 119 THR 141 120 ILE 142 121 LYS 143 122 ALA 144 123 PHE 145 124 GLN 146 125 ASP 147 126 TYR 148 127 GLY 149 128 LYS 150 129 VAL 151 130 THR 152 131 LEU 153 132 TYR 154 133 LYS 155 134 ASN 156 135 GLY 157 136 GLU 158 137 LEU 159 138 VAL 160 139 TRP 161 140 GLY 162 141 THR 163 142 PRO 164 143 PRO 165 144 GLY 166 145 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 PDB 2YLK "Carbohydrate-Binding Module Cbm3b From The Cellulosomal Cellobiohydrolase 9a From Clostridium Thermocellum" 87.35 145 99.31 99.31 3.88e-101 PDB 3ZQX "Carbohydrate-Binding Module Cbm3b From The Cellulosomal Cellobiohydrolase 9a From Clostridium Thermocellum" 87.95 146 99.32 99.32 2.51e-101 PDB 4C8X "Crystal Structure Of Carbohydrate-binding Module Cbm3b Mutant (y56s) From The Cellulosomal Cellobiohydrolase 9a From Clostridiu" 87.35 145 99.31 99.31 5.27e-101 EMBL CAA56918 "cellulose 1,4-beta-cellobiosidase [Ruminiclostridium thermocellum]" 87.35 1230 100.00 100.00 3.45e-93 EMBL CDG35109 "glycoside hydrolase family 9 [Ruminiclostridium thermocellum BC1]" 87.35 609 100.00 100.00 2.50e-98 GB ABN51651 "glycoside hydrolase family 9 [Ruminiclostridium thermocellum ATCC 27405]" 87.35 1224 100.00 100.00 4.01e-93 GB ADU74864 "glycoside hydrolase family 9 [Ruminiclostridium thermocellum DSM 1313]" 87.35 1230 100.00 100.00 3.77e-93 GB EEU00446 "glycoside hydrolase family 9 [Ruminiclostridium thermocellum DSM 2360]" 87.35 1230 100.00 100.00 3.77e-93 GB EFB38789 "glycoside hydrolase family 9 [Ruminiclostridium thermocellum JW20]" 87.35 1224 100.00 100.00 4.01e-93 GB EIC05226 "glycoside hydrolase family 9 [Ruminiclostridium thermocellum YS]" 87.35 1230 100.00 100.00 3.77e-93 REF WP_003512736 "cellulose 1,4-beta-cellobiosidase [Ruminiclostridium thermocellum]" 87.35 1224 100.00 100.00 4.01e-93 REF WP_003519027 "cellulose 1,4-beta-cellobiosidase [Ruminiclostridium thermocellum]" 87.35 1230 100.00 100.00 3.77e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CBM3b-Cbh9A 'Clostridium thermocellum' 1515 Bacteria . Clostridium thermocellum CbhA stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $CBM3b-Cbh9A 'recombinant technology' . Escherichia coli BL21 DE3 pET-28a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBM3b-Cbh9A 30 mg/mL '[2-13C] glycerol' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBM3b-Cbh9A 30 mg/mL '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance-III _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_13C-13C_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR' _Sample_label $sample_1 save_ save_2D_15N-15N_PDSD_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-15N PDSD' _Sample_label $sample_1 save_ save_2D_13C-13C_DARR_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR' _Sample_label $sample_2 save_ save_3D_NCACX_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_2D_NCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $sample_1 save_ save_3D_NCACX_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.4 . M pH 7.5 . pH pressure 1 . atm temperature 273 . 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 adamantane C 13 'methyl carbon' ppm 40.48 external direct . . . 1 'ammonium chloride' N 15 nitrogen ppm 39.27 external direct . . . 1 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 13C-13C DARR' '2D 15N-15N PDSD' '3D NCACX' '3D NCOCX' '2D NCA' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CBM3b-Cbh9A _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 23 VAL C C 173.4 0.3 1 2 2 23 VAL CA C 60.7 0.3 1 3 2 23 VAL CB C 35.6 0.3 1 4 2 23 VAL CG1 C 22.1 0.3 2 5 2 23 VAL CG2 C 22.1 0.3 2 6 2 23 VAL N N 126.4 0.4 1 7 3 24 LYS C C 173.1 0.3 1 8 3 24 LYS CA C 54.3 0.3 1 9 3 24 LYS CB C 35.4 0.3 1 10 3 24 LYS CG C 24.3 0.3 1 11 3 24 LYS CD C 29.7 0.3 1 12 3 24 LYS CE C 42.5 0.3 1 13 3 24 LYS N N 119.8 0.4 1 14 4 25 VAL C C 174.2 0.3 1 15 4 25 VAL CA C 59.9 0.3 1 16 4 25 VAL CB C 35.3 0.3 1 17 4 25 VAL CG1 C 23.9 0.3 2 18 4 25 VAL CG2 C 21.7 0.3 2 19 4 25 VAL N N 114.5 0.4 1 20 5 26 GLN C C 174.6 0.3 1 21 5 26 GLN CA C 53.3 0.3 1 22 5 26 GLN CB C 32.3 0.3 1 23 5 26 GLN CG C 34.8 0.3 1 24 5 26 GLN CD C 180.2 0.3 1 25 5 26 GLN N N 120.8 0.4 1 26 6 27 TYR C C 172.7 0.3 1 27 6 27 TYR CA C 54.9 0.3 1 28 6 27 TYR CB C 46.9 0.3 1 29 6 27 TYR CG C 129.3 0.3 1 30 6 27 TYR CE1 C 117.2 0.3 3 31 6 27 TYR CE2 C 117.2 0.3 3 32 6 27 TYR N N 124.3 0.4 1 33 7 28 LEU C C 172.9 0.3 1 34 7 28 LEU CA C 55.2 0.3 1 35 7 28 LEU CB C 45.5 0.3 1 36 7 28 LEU CG C 26.2 0.3 1 37 7 28 LEU N N 122.7 0.4 1 38 8 29 CYS C C 174.3 0.3 1 39 8 29 CYS CA C 59.8 0.3 1 40 8 29 CYS CB C 28.9 0.3 1 41 8 29 CYS N N 123.4 0.4 1 42 9 30 GLU C C 175.8 0.3 1 43 9 30 GLU CA C 57.6 0.3 1 44 9 30 GLU CB C 31.6 0.3 1 45 9 30 GLU CG C 36.9 0.3 1 46 9 30 GLU CD C 180.4 0.3 1 47 9 30 GLU N N 126.2 0.4 1 48 10 31 ASN C C 176.4 0.3 1 49 10 31 ASN CA C 53.4 0.3 1 50 10 31 ASN CB C 39.6 0.3 1 51 10 31 ASN CG C 179.6 0.3 1 52 10 31 ASN N N 116.2 0.4 1 53 11 32 THR C C 174.8 0.3 1 54 11 32 THR CA C 61.1 0.3 1 55 11 32 THR CB C 69.0 0.3 1 56 11 32 THR CG2 C 22.9 0.3 1 57 11 32 THR N N 117.6 0.4 1 58 12 33 GLN C C 177.2 0.3 1 59 12 33 GLN CA C 56.3 0.3 1 60 12 33 GLN CB C 30.8 0.3 1 61 12 33 GLN CG C 34.4 0.3 1 62 12 33 GLN CD C 181.6 0.3 1 63 12 33 GLN N N 125.1 0.4 1 64 12 33 GLN NE2 N 113.3 0.4 1 65 13 34 THR C C 173.9 0.3 1 66 13 34 THR CA C 67.8 0.3 1 67 13 34 THR CB C 68.6 0.3 1 68 13 34 THR CG2 C 24.1 0.3 1 69 13 34 THR N N 121.0 0.4 1 70 14 35 SER C C 175.0 0.3 1 71 14 35 SER CA C 56.7 0.3 1 72 14 35 SER CB C 63.6 0.3 1 73 14 35 SER N N 114.3 0.4 1 74 15 36 THR C C 172.4 0.3 1 75 15 36 THR CA C 58.9 0.3 1 76 15 36 THR CB C 70.7 0.3 1 77 15 36 THR CG2 C 19.0 0.3 1 78 15 36 THR N N 120.9 0.3 1 79 16 37 GLN C C 176.0 0.3 1 80 16 37 GLN CA C 56.5 0.3 1 81 16 37 GLN CB C 30.9 0.3 1 82 16 37 GLN CG C 33.9 0.3 1 83 16 37 GLN CD C 182.4 0.3 1 84 16 37 GLN N N 124.9 0.4 1 85 16 37 GLN NE2 N 112.7 0.4 1 86 17 38 GLU C C 175.1 0.3 1 87 17 38 GLU CA C 54.7 0.3 1 88 17 38 GLU CB C 32.4 0.3 1 89 17 38 GLU N N 116.9 0.4 1 90 18 39 ILE C C 174.2 0.3 1 91 18 39 ILE CA C 61.6 0.3 1 92 18 39 ILE CB C 39.3 0.3 1 93 18 39 ILE CG1 C 28.1 0.3 1 94 18 39 ILE CG2 C 17.2 0.3 5 95 18 39 ILE CD1 C 13.9 0.3 1 96 18 39 ILE N N 127.8 0.4 1 97 19 40 LYS N N 125.4 0.4 1 98 23 44 ASN C C 177.4 0.3 1 99 23 44 ASN CA C 54.5 0.3 1 100 23 44 ASN CB C 40.2 0.3 1 101 23 44 ASN CG C 180.2 0.3 1 102 23 44 ASN N N 122.9 0.4 1 103 24 45 ILE C C 174.0 0.3 1 104 24 45 ILE CA C 61.6 0.3 1 105 24 45 ILE CB C 38.5 0.3 1 106 24 45 ILE CG1 C 28.2 0.3 1 107 24 45 ILE CG2 C 17.3 0.3 1 108 24 45 ILE CD1 C 14.5 0.3 1 109 24 45 ILE N N 129.4 0.4 1 110 25 46 VAL C C 174.4 0.3 1 111 25 46 VAL CA C 61.2 0.3 1 112 25 46 VAL CB C 35.2 0.3 1 113 25 46 VAL CG1 C 21.3 0.3 2 114 25 46 VAL CG2 C 20.3 0.3 2 115 25 46 VAL N N 125.6 0.4 1 116 26 47 ASN C C 176.7 0.3 1 117 26 47 ASN CA C 52.2 0.3 1 118 26 47 ASN CB C 39.1 0.3 1 119 26 47 ASN CG C 183.8 0.3 1 120 26 47 ASN N N 125.3 0.4 1 121 26 47 ASN ND2 N 112.4 0.4 1 122 27 48 THR C C 175.9 0.3 1 123 27 48 THR CA C 61.2 0.3 1 124 27 48 THR CB C 68.5 0.3 1 125 27 48 THR CG2 C 22.1 0.3 1 126 27 48 THR N N 115.8 0.4 1 127 28 49 GLY C C 174.6 0.3 1 128 28 49 GLY CA C 45.5 0.3 1 129 28 49 GLY N N 111.9 0.4 1 130 29 50 ASN C C 173.8 0.3 1 131 29 50 ASN CA C 54.0 0.3 1 132 29 50 ASN CB C 39.5 0.3 1 133 29 50 ASN CG C 177.0 0.3 1 134 29 50 ASN N N 114.8 0.4 1 135 33 54 SER C C 176.9 0.3 1 136 33 54 SER CA C 56.1 0.3 1 137 33 54 SER CB C 64.0 0.3 1 138 36 57 ASP C C 174.2 0.3 1 139 36 57 ASP CA C 53.6 0.3 1 140 36 57 ASP CB C 41.2 0.3 1 141 36 57 ASP N N 116.9 0.4 1 142 37 58 ILE C C 176.1 0.3 1 143 37 58 ILE CA C 61.8 0.3 1 144 37 58 ILE CB C 39.3 0.3 1 145 37 58 ILE CG1 C 26.7 0.3 1 146 37 58 ILE CG2 C 17.2 0.3 5 147 37 58 ILE CD1 C 13.4 0.3 1 148 37 58 ILE N N 127.7 0.4 1 149 38 59 VAL C C 174.1 0.3 1 150 38 59 VAL CA C 60.7 0.3 1 151 38 59 VAL CB C 35.9 0.3 1 152 38 59 VAL CG1 C 21.7 0.3 2 153 38 59 VAL CG2 C 22.5 0.3 2 154 38 59 VAL N N 126.3 0.4 1 155 39 60 LEU C C 177.0 0.3 1 156 39 60 LEU CA C 53.5 0.3 1 157 39 60 LEU CB C 46.8 0.3 1 158 39 60 LEU CG C 27.3 0.3 1 159 39 60 LEU CD1 C 24.3 0.3 2 160 39 60 LEU CD2 C 26.8 0.3 2 161 39 60 LEU N N 130.4 0.4 1 162 40 61 ARG C C 172.8 0.3 1 163 40 61 ARG CA C 55.9 0.3 1 164 40 61 ARG CB C 33.5 0.3 1 165 40 61 ARG CG C 29.5 0.3 1 166 40 61 ARG CD C 43.1 0.3 1 167 40 61 ARG CZ C 158.9 0.3 1 168 40 61 ARG N N 123.0 0.4 1 169 40 61 ARG NE N 85.2 0.4 1 170 40 61 ARG NH1 N 72.8 0.4 2 171 40 61 ARG NH2 N 69.9 0.4 2 172 41 62 TYR C C 174.9 0.3 1 173 41 62 TYR CA C 57.3 0.3 1 174 41 62 TYR CB C 42.7 0.3 1 175 41 62 TYR CG C 129.4 0.3 1 176 41 62 TYR CE1 C 119.2 0.3 3 177 41 62 TYR CE2 C 119.2 0.3 3 178 41 62 TYR N N 121.3 0.4 1 179 42 63 TYR C C 175.0 0.3 1 180 42 63 TYR CA C 58.9 0.3 1 181 42 63 TYR CB C 40.0 0.3 1 182 42 63 TYR CG C 131.4 0.3 1 183 42 63 TYR CE1 C 118.1 0.3 3 184 42 63 TYR CE2 C 118.1 0.3 3 185 42 63 TYR N N 127.6 0.4 1 186 43 64 PHE C C 173.3 0.3 1 187 43 64 PHE CA C 56.3 0.3 1 188 43 64 PHE CB C 40.8 0.3 1 189 43 64 PHE CG C 139.9 0.3 1 190 43 64 PHE CE1 C 133.0 0.3 3 191 43 64 PHE CE2 C 133.0 0.3 3 192 43 64 PHE N N 118.8 0.4 1 193 44 65 THR C C 173.2 0.3 1 194 44 65 THR CA C 62.8 0.3 1 195 44 65 THR CB C 70.7 0.3 1 196 44 65 THR CG2 C 22.5 0.3 1 197 44 65 THR N N 119.0 0.4 1 198 48 69 ASN C C 175.3 0.3 1 199 48 69 ASN CA C 53.9 0.3 1 200 48 69 ASN CB C 38.1 0.3 1 201 48 69 ASN CG C 177.6 0.3 1 202 48 69 ASN N N 121.4 0.4 1 203 48 69 ASN ND2 N 114.0 0.4 1 204 49 70 SER C C 173.9 0.3 1 205 49 70 SER CA C 58.0 0.3 1 206 49 70 SER CB C 64.5 0.3 1 207 49 70 SER N N 114.9 0.4 1 208 50 71 GLN C C 176.6 0.3 1 209 50 71 GLN CA C 57.1 0.3 1 210 50 71 GLN CB C 30.1 0.3 1 211 50 71 GLN CG C 34.0 0.3 1 212 50 71 GLN CD C 181.1 0.3 1 213 50 71 GLN N N 122.4 0.4 1 214 51 72 LEU C C 176.2 0.3 1 215 51 72 LEU CA C 54.5 0.3 1 216 51 72 LEU CB C 43.9 0.3 1 217 51 72 LEU CG C 27.0 0.3 1 218 51 72 LEU CD1 C 23.6 0.3 2 219 51 72 LEU CD2 C 23.6 0.3 2 220 51 72 LEU N N 125.3 0.4 1 221 52 73 GLN C C 174.2 0.3 1 222 52 73 GLN CA C 54.7 0.3 1 223 52 73 GLN CB C 32.6 0.3 1 224 52 73 GLN CD C 178.6 0.3 1 225 52 73 GLN N N 118.2 0.4 1 226 53 74 PHE C C 174.9 0.3 1 227 53 74 PHE CA C 56.3 0.3 1 228 53 74 PHE CB C 42.0 0.3 1 229 53 74 PHE CG C 139.1 0.3 1 230 53 74 PHE N N 122.8 0.4 1 231 54 75 ILE C C 173.8 0.3 1 232 54 75 ILE CA C 60.5 0.3 1 233 54 75 ILE CB C 42.2 0.3 1 234 54 75 ILE CG1 C 27.8 0.3 1 235 54 75 ILE CG2 C 19.4 0.3 1 236 54 75 ILE N N 127.6 0.4 1 237 55 76 CYS C C 176.0 0.3 1 238 55 76 CYS CA C 57.5 0.3 1 239 55 76 CYS CB C 30.1 0.3 1 240 55 76 CYS N N 125.8 0.4 1 241 56 77 TYR C C 175.2 0.3 1 242 56 77 TYR CA C 55.9 0.3 1 243 56 77 TYR CB C 39.7 0.3 1 244 56 77 TYR CG C 130.7 0.3 1 245 56 77 TYR CE1 C 118.1 0.3 3 246 56 77 TYR CE2 C 118.1 0.3 3 247 56 77 TYR N N 118.1 0.4 1 248 57 78 TYR C C 174.7 0.3 1 249 57 78 TYR CA C 58.4 0.3 1 250 57 78 TYR CB C 41.1 0.3 1 251 57 78 TYR CG C 130.8 0.3 1 252 57 78 TYR CE1 C 117.9 0.3 3 253 57 78 TYR CE2 C 117.9 0.3 3 254 57 78 TYR N N 117.7 0.4 1 255 58 79 THR C C 173.1 0.3 1 256 58 79 THR CA C 58.6 0.3 1 257 58 79 THR CB C 70.0 0.3 1 258 58 79 THR CG2 C 19.0 0.3 1 259 58 79 THR N N 120.9 0.4 1 260 59 80 PRO C C 177.9 0.3 1 261 59 80 PRO CA C 64.0 0.3 1 262 59 80 PRO CB C 33.7 0.3 1 263 59 80 PRO CG C 27.6 0.3 1 264 59 80 PRO CD C 53.1 0.3 1 265 59 80 PRO N N 141.9 0.4 1 266 60 81 ILE C C 176.6 0.3 1 267 60 81 ILE CA C 62.8 0.3 1 268 60 81 ILE CB C 39.3 0.3 1 269 60 81 ILE CG1 C 25.8 0.3 1 270 60 81 ILE CG2 C 18.3 0.3 1 271 60 81 ILE CD1 C 14.6 0.3 1 272 60 81 ILE N N 108.7 0.4 1 273 61 82 GLY C C 175.3 0.3 1 274 61 82 GLY CA C 45.0 0.3 1 275 61 82 GLY N N 110.2 0.4 1 276 62 83 SER C C 177.1 0.3 1 277 62 83 SER CA C 61.6 0.3 1 278 62 83 SER CB C 62.9 0.3 1 279 62 83 SER N N 124.8 0.4 1 280 63 84 GLY C C 174.5 0.3 1 281 63 84 GLY CA C 45.8 0.3 1 282 63 84 GLY N N 110.5 0.4 1 283 64 85 ASN C C 173.8 0.3 1 284 64 85 ASN CA C 54.1 0.3 1 285 64 85 ASN CB C 39.6 0.3 1 286 64 85 ASN N N 115.0 0.4 1 287 65 86 LEU C C 176.9 0.3 1 288 65 86 LEU CA C 54.5 0.3 1 289 65 86 LEU CB C 44.2 0.3 1 290 65 86 LEU CG C 28.5 0.3 1 291 65 86 LEU N N 118.4 0.4 1 292 66 87 ILE C C 174.3 0.3 1 293 66 87 ILE CA C 58.6 0.3 1 294 66 87 ILE CB C 39.4 0.3 1 295 66 87 ILE CG1 C 26.6 0.3 1 296 66 87 ILE CG2 C 17.9 0.3 1 297 66 87 ILE CD1 C 14.5 0.3 1 298 66 87 ILE N N 121.5 0.4 1 299 67 88 PRO C C 176.6 0.3 1 300 67 88 PRO CA C 61.4 0.3 1 301 67 88 PRO CB C 33.0 0.3 1 302 67 88 PRO CG C 26.9 0.3 1 303 67 88 PRO CD C 50.6 0.3 1 304 67 88 PRO N N 141.4 0.4 1 305 68 89 SER C C 171.1 0.3 1 306 68 89 SER CA C 58.5 0.3 1 307 68 89 SER CB C 65.5 0.3 1 308 68 89 SER N N 114.9 0.4 1 309 69 90 PHE C C 176.3 0.3 1 310 69 90 PHE CA C 56.6 0.3 1 311 69 90 PHE CB C 43.2 0.3 1 312 69 90 PHE CG C 141.6 0.3 1 313 69 90 PHE CE1 C 130.5 0.3 3 314 69 90 PHE CE2 C 130.5 0.3 3 315 69 90 PHE N N 115.5 0.4 1 316 70 91 GLY C C 170.9 0.3 1 317 70 91 GLY CA C 44.5 0.3 1 318 70 91 GLY N N 106.9 0.4 1 319 71 92 GLY N N 103.5 0.4 1 320 71 92 GLY CA C 44.6 0.3 1 321 86 107 LYS C C 175.5 0.3 1 322 86 107 LYS CA C 57.8 0.3 1 323 86 107 LYS CB C 33.1 0.3 1 324 86 107 LYS CG C 25.3 0.3 1 325 86 107 LYS N N 127.9 0.4 1 326 87 108 LEU C C 172.8 0.3 1 327 87 108 LEU CA C 51.0 0.3 1 328 87 108 LEU CB C 43.0 0.3 1 329 87 108 LEU CG C 27.7 0.3 1 330 87 108 LEU CD1 C 26.8 0.3 2 331 87 108 LEU CD2 C 22.5 0.3 2 332 87 108 LEU N N 126.0 0.4 1 333 88 109 PRO C C 175.3 0.3 1 334 88 109 PRO CA C 62.5 0.3 1 335 88 109 PRO CB C 33.1 0.3 1 336 88 109 PRO CG C 27.8 0.3 1 337 88 109 PRO CD C 51.8 0.3 1 338 88 109 PRO N N 138.3 0.4 1 339 89 110 ALA C C 177.8 0.3 1 340 89 110 ALA CA C 53.5 0.3 1 341 89 110 ALA CB C 18.4 0.3 1 342 89 110 ALA N N 126.1 0.4 1 343 90 111 GLY C C 174.5 0.3 1 344 90 111 GLY CA C 46.4 0.3 1 345 90 111 GLY N N 109.4 0.4 1 346 91 112 GLY C C 171.1 0.3 1 347 91 112 GLY CA C 44.4 0.3 1 348 91 112 GLY N N 109.0 0.4 1 349 92 113 GLN C C 175.7 0.3 1 350 92 113 GLN CA C 53.1 0.3 1 351 92 113 GLN CB C 32.6 0.3 1 352 92 113 GLN CD C 181.2 0.3 1 353 92 113 GLN N N 109.9 0.4 1 354 92 113 GLN NE2 N 111.7 0.4 1 355 93 114 THR C C 179.6 0.3 1 356 93 114 THR CA C 64.1 0.3 1 357 93 114 THR CB C 70.5 0.3 1 358 93 114 THR CG2 C 23.9 0.3 1 359 93 114 THR N N 109.9 0.4 1 360 94 115 GLY C C 174.3 0.3 1 361 94 115 GLY CA C 44.5 0.3 1 362 94 115 GLY N N 106.5 0.4 1 363 95 116 GLU C C 176.4 0.3 1 364 95 116 GLU CA C 56.8 0.3 1 365 95 116 GLU CB C 32.4 0.3 1 366 95 116 GLU CG C 36.0 0.3 1 367 95 116 GLU CD C 180.8 0.3 1 368 95 116 GLU N N 113.3 0.4 1 369 96 117 ILE C C 176.3 0.3 1 370 96 117 ILE CA C 61.6 0.3 1 371 96 117 ILE CB C 41.0 0.3 1 372 96 117 ILE CG1 C 26.8 0.3 1 373 96 117 ILE CG2 C 18.4 0.3 1 374 96 117 ILE CD1 C 14.5 0.3 1 375 96 117 ILE N N 122.4 0.4 1 376 97 118 GLN C C 174.8 0.3 1 377 97 118 GLN CA C 56.5 0.3 1 378 97 118 GLN CB C 29.3 0.3 1 379 97 118 GLN CG C 34.0 0.3 1 380 97 118 GLN CD C 181.3 0.3 1 381 97 118 GLN N N 126.4 0.4 1 382 97 118 GLN NE2 N 112.3 0.4 1 383 98 119 PHE C C 171.4 0.3 1 384 98 119 PHE CA C 55.8 0.3 1 385 98 119 PHE CB C 45.1 0.3 1 386 98 119 PHE CG C 136.8 0.3 1 387 98 119 PHE N N 123.5 0.4 1 388 99 120 VAL C C 175.7 0.3 1 389 99 120 VAL CA C 59.9 0.3 1 390 99 120 VAL CB C 36.3 0.3 1 391 99 120 VAL CG1 C 21.7 0.3 2 392 99 120 VAL CG2 C 21.7 0.3 2 393 99 120 VAL N N 119.3 0.4 1 394 100 121 ILE C C 175.1 0.3 1 395 100 121 ILE CA C 60.2 0.3 1 396 100 121 ILE CB C 42.2 0.3 1 397 100 121 ILE CG1 C 26.0 0.3 1 398 100 121 ILE CG2 C 20.2 0.3 1 399 100 121 ILE CD1 C 15.9 0.3 1 400 100 121 ILE N N 123.8 0.4 1 401 102 123 TYR C C 179.4 0.3 1 402 102 123 TYR CA C 59.5 0.3 1 403 102 123 TYR CB C 39.8 0.3 1 404 102 123 TYR CG C 129.2 0.3 1 405 102 123 TYR CE1 C 118.7 0.3 3 406 102 123 TYR CE2 C 118.7 0.3 3 407 102 123 TYR N N 119.0 0.4 1 408 103 124 ALA C C 178.8 0.3 1 409 103 124 ALA CA C 54.5 0.3 1 410 103 124 ALA CB C 19.0 0.3 1 411 103 124 ALA N N 125.6 0.4 1 412 104 125 ASP C C 177.5 0.3 1 413 104 125 ASP CA C 52.5 0.3 1 414 104 125 ASP CB C 39.9 0.3 1 415 104 125 ASP CG C 180.8 0.3 1 416 104 125 ASP N N 113.7 0.4 1 417 105 126 ASN C C 174.3 0.3 1 418 105 126 ASN CA C 55.6 0.3 1 419 105 126 ASN CB C 38.2 0.3 1 420 105 126 ASN CG C 178.2 0.3 1 421 105 126 ASN N N 110.9 0.4 1 422 105 126 ASN ND2 N 114.9 0.4 1 423 106 127 SER C C 173.6 0.3 1 424 106 127 SER CA C 60.5 0.3 1 425 106 127 SER CB C 64.2 0.3 1 426 106 127 SER N N 111.1 0.4 1 427 107 128 PHE C C 175.1 0.3 1 428 107 128 PHE CA C 60.5 0.3 1 429 107 128 PHE CB C 41.1 0.3 1 430 107 128 PHE CG C 142.6 0.3 1 431 107 128 PHE CE1 C 131.8 0.3 3 432 107 128 PHE CE2 C 131.8 0.3 3 433 107 128 PHE N N 119.0 0.4 1 434 108 129 HIS C C 172.7 0.3 1 435 108 129 HIS CA C 53.2 0.3 1 436 108 129 HIS CB C 31.8 0.3 1 437 108 129 HIS CG C 131.1 0.3 1 438 108 129 HIS CD2 C 118.3 0.3 1 439 108 129 HIS N N 118.1 0.4 1 440 109 130 ASP C C 176.8 0.3 1 441 109 130 ASP CA C 52.3 0.3 1 442 109 130 ASP CB C 40.8 0.3 1 443 109 130 ASP CG C 180.1 0.3 1 444 109 130 ASP N N 126.5 0.4 1 445 110 131 GLN C C 177.8 0.3 1 446 110 131 GLN CA C 57.4 0.3 1 447 110 131 GLN CB C 29.3 0.3 1 448 110 131 GLN CG C 37.6 0.3 1 449 110 131 GLN CD C 179.4 0.3 1 450 110 131 GLN N N 122.4 0.4 1 451 110 131 GLN NE2 N 113.4 0.4 1 452 111 132 SER C C 175.4 0.3 1 453 111 132 SER CA C 62.4 0.3 1 454 111 132 SER CB C 63.0 0.3 1 455 111 132 SER N N 112.7 0.4 1 456 112 133 ASN C C 177.6 0.3 1 457 112 133 ASN CA C 52.8 0.3 1 458 112 133 ASN CB C 39.7 0.3 1 459 112 133 ASN N N 114.6 0.4 1 460 113 134 ASP C C 174.6 0.3 1 461 113 134 ASP CA C 55.0 0.3 1 462 113 134 ASP CB C 40.0 0.3 1 463 113 134 ASP CG C 180.3 0.3 1 464 113 134 ASP N N 114.6 0.4 1 465 114 135 TYR C C 177.3 0.3 1 466 114 135 TYR CA C 61.6 0.3 1 467 114 135 TYR CB C 38.4 0.3 1 468 114 135 TYR CG C 129.5 0.3 1 469 114 135 TYR CE1 C 118.2 0.3 3 470 114 135 TYR CE2 C 118.2 0.3 3 471 114 135 TYR N N 129.4 0.4 1 472 115 136 SER C C 175.2 0.3 1 473 115 136 SER CA C 60.5 0.3 1 474 115 136 SER CB C 63.3 0.3 1 475 115 136 SER N N 107.5 0.4 1 476 116 137 PHE C C 176.0 0.3 1 477 116 137 PHE CA C 57.7 0.3 1 478 116 137 PHE CB C 41.1 0.3 1 479 116 137 PHE CG C 138.4 0.3 1 480 116 137 PHE CE1 C 130.1 0.3 3 481 116 137 PHE CE2 C 130.1 0.3 3 482 116 137 PHE N N 124.2 0.4 1 483 117 138 ASP C C 173.7 0.3 1 484 117 138 ASP CA C 52.0 0.3 1 485 117 138 ASP CB C 41.8 0.3 1 486 117 138 ASP CG C 182.0 0.3 1 487 117 138 ASP N N 122.6 0.4 1 488 118 139 PRO C C 176.9 0.3 1 489 118 139 PRO CA C 63.2 0.3 1 490 118 139 PRO CB C 32.1 0.3 1 491 118 139 PRO CG C 24.9 0.3 1 492 118 139 PRO CD C 49.1 0.3 1 493 118 139 PRO N N 132.3 0.4 1 494 119 140 THR C C 175.8 0.3 1 495 119 140 THR CA C 63.9 0.3 1 496 119 140 THR CB C 69.7 0.3 1 497 119 140 THR CG2 C 22.3 0.3 1 498 119 140 THR N N 110.4 0.4 1 499 120 141 ILE C C 174.6 0.3 1 500 120 141 ILE CA C 60.0 0.3 1 501 120 141 ILE CB C 41.1 0.3 1 502 120 141 ILE CG1 C 27.9 0.3 1 503 120 141 ILE CG2 C 17.9 0.3 1 504 120 141 ILE CD1 C 14.5 0.3 1 505 120 141 ILE N N 123.8 0.4 1 506 121 142 LYS C C 175.2 0.3 1 507 121 142 LYS CA C 55.7 0.3 1 508 121 142 LYS CB C 33.5 0.3 1 509 121 142 LYS CG C 25.2 0.3 1 510 121 142 LYS CE C 42.1 0.3 1 511 121 142 LYS N N 125.2 0.4 1 512 122 143 ALA C C 176.0 0.3 1 513 122 143 ALA CA C 50.5 0.3 1 514 122 143 ALA CB C 22.0 0.3 1 515 122 143 ALA N N 122.7 0.4 1 516 123 144 PHE C C 178.4 0.3 1 517 123 144 PHE CA C 60.8 0.3 1 518 123 144 PHE CB C 39.2 0.3 1 519 123 144 PHE CG C 140.7 0.3 1 520 123 144 PHE CE1 C 131.4 0.3 3 521 123 144 PHE CE2 C 131.4 0.3 3 522 123 144 PHE N N 117.9 0.4 1 523 124 145 GLN C C 175.6 0.3 1 524 124 145 GLN CA C 54.2 0.3 1 525 124 145 GLN CB C 33.9 0.3 1 526 124 145 GLN N N 118.2 0.4 1 527 125 146 ASP C C 177.7 0.3 1 528 125 146 ASP CA C 56.5 0.3 1 529 125 146 ASP CB C 40.5 0.3 1 530 125 146 ASP CG C 178.8 0.3 1 531 125 146 ASP N N 126.8 0.4 1 532 126 147 TYR C C 175.8 0.3 1 533 126 147 TYR CA C 57.5 0.3 1 534 126 147 TYR CB C 43.2 0.3 1 535 126 147 TYR CG C 128.1 0.3 1 536 126 147 TYR N N 125.2 0.4 1 537 127 148 GLY C C 173.0 0.3 1 538 127 148 GLY CA C 45.5 0.3 1 539 127 148 GLY N N 115.7 0.4 1 540 128 149 LYS C C 174.6 0.3 1 541 128 149 LYS CA C 56.0 0.3 1 542 128 149 LYS CB C 31.1 0.3 1 543 128 149 LYS CG C 25.6 0.3 1 544 128 149 LYS CD C 28.7 0.3 1 545 128 149 LYS CE C 45.5 0.3 1 546 128 149 LYS N N 113.4 0.4 1 547 129 150 VAL C C 174.9 0.3 1 548 129 150 VAL CA C 61.7 0.3 1 549 129 150 VAL CB C 35.2 0.3 1 550 129 150 VAL CG1 C 23.1 0.3 2 551 129 150 VAL CG2 C 22.6 0.3 2 552 129 150 VAL N N 120.3 0.4 1 553 130 151 THR C C 175.4 0.3 1 554 130 151 THR CA C 58.5 0.3 1 555 130 151 THR CB C 71.5 0.3 1 556 130 151 THR CG2 C 23.6 0.3 1 557 130 151 THR N N 111.1 0.4 1 558 131 152 LEU C C 176.6 0.3 1 559 131 152 LEU CA C 53.4 0.3 1 560 131 152 LEU CB C 46.8 0.3 1 561 131 152 LEU CG C 26.8 0.3 1 562 131 152 LEU N N 114.3 0.4 1 563 132 153 TYR C C 175.3 0.3 1 564 132 153 TYR CA C 54.2 0.3 1 565 132 153 TYR CB C 41.4 0.3 1 566 132 153 TYR CG C 144.3 0.3 1 567 132 153 TYR N N 122.7 0.4 1 568 133 154 LYS C C 175.5 0.3 1 569 133 154 LYS CA C 54.3 0.3 1 570 133 154 LYS CB C 34.0 0.3 1 571 133 154 LYS N N 118.0 0.4 1 572 134 155 ASN C C 175.0 0.3 1 573 134 155 ASN CA C 55.3 0.3 1 574 134 155 ASN CB C 37.8 0.3 1 575 134 155 ASN CG C 180.4 0.3 1 576 134 155 ASN N N 126.6 0.4 1 577 135 156 GLY C C 170.4 0.3 1 578 135 156 GLY CA C 45.7 0.3 1 579 135 156 GLY N N 114.3 0.4 1 580 136 157 GLU C C 175.4 0.3 1 581 136 157 GLU CA C 57.9 0.3 1 582 136 157 GLU CB C 29.5 0.3 1 583 136 157 GLU CG C 34.8 0.3 1 584 136 157 GLU CD C 187.0 0.3 1 585 136 157 GLU N N 120.0 0.4 1 586 137 158 LEU C C 174.2 0.3 1 587 137 158 LEU CA C 54.6 0.3 1 588 137 158 LEU CB C 44.5 0.3 1 589 137 158 LEU CG C 27.5 0.3 1 590 137 158 LEU N N 119.3 0.4 1 591 138 159 VAL C C 175.2 0.3 1 592 138 159 VAL CA C 61.1 0.3 1 593 138 159 VAL CB C 35.4 0.3 1 594 138 159 VAL CG1 C 21.2 0.3 2 595 138 159 VAL CG2 C 21.1 0.3 2 596 138 159 VAL N N 129.4 0.4 1 597 139 160 TRP C C 174.5 0.3 1 598 139 160 TRP CA C 57.8 0.3 1 599 139 160 TRP CB C 33.1 0.3 1 600 139 160 TRP CG C 111.9 0.3 1 601 139 160 TRP CD1 C 125.1 0.3 1 602 139 160 TRP CD2 C 129.4 0.3 1 603 139 160 TRP CE2 C 139.0 0.3 1 604 139 160 TRP CZ2 C 114.1 0.3 1 605 139 160 TRP CZ3 C 123.2 0.3 1 606 139 160 TRP N N 127.8 0.4 1 607 139 160 TRP NE1 N 131.0 0.4 1 608 140 161 GLY C C 172.9 0.3 1 609 140 161 GLY CA C 44.1 0.3 1 610 140 161 GLY N N 111.9 0.4 1 611 141 162 THR C C 173.0 0.3 1 612 141 162 THR CA C 58.9 0.3 1 613 141 162 THR CB C 72.1 0.3 1 614 141 162 THR CG2 C 21.4 0.3 1 615 141 162 THR N N 112.3 0.4 1 616 142 163 PRO C C 172.9 0.3 1 617 142 163 PRO CA C 61.3 0.3 1 618 142 163 PRO CB C 30.4 0.3 1 619 142 163 PRO CG C 26.5 0.3 1 620 142 163 PRO CD C 51.3 0.3 1 621 142 163 PRO N N 141.1 0.4 1 622 143 164 PRO C C 177.7 0.3 1 623 143 164 PRO CA C 63.0 0.3 1 624 143 164 PRO CB C 30.6 0.3 1 625 143 164 PRO CG C 26.5 0.3 1 626 143 164 PRO CD C 51.3 0.3 1 627 143 164 PRO N N 132.5 0.4 1 628 144 165 GLY C C 174.6 0.3 1 629 144 165 GLY CA C 45.5 0.3 1 630 144 165 GLY N N 109.4 0.4 1 631 145 166 GLY C C 179.1 0.3 1 632 145 166 GLY CA C 46.1 0.3 1 633 145 166 GLY N N 114.9 0.4 1 stop_ save_