data_10214 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1 ; _BMRB_accession_number 10214 _BMRB_flat_file_name bmr10214.str _Entry_type new _Submission_date 2008-04-22 _Accession_date 2008-04-22 _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 Ohnishi S. . . 2 Tochio N. . . 3 Tomizawa T. . . 4 Akasaka R. . . 5 Harada T. . . 6 Seki E. . . 7 Sato M. . . 8 Watanabe S. . . 9 Fujikura Y. . . 10 Koshiba S. . . 11 Terada T. . . 12 Shirouzu M. . . 13 Tanaka A. . . 14 Kigawa T. . . 15 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 321 "13C chemical shifts" 253 "15N chemical shifts" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-04-04 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for controlling the dimerization and stability of the WW domains of an atypical subfamily. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18562638 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohnishi S. . . 2 Tochio N. . . 3 Tomizawa T. . . 4 Akasaka R. . . 5 Harada T. . . 6 Seki E. . . 7 Sato M. . . 8 Watanabe S. . . 9 Fujikura Y. . . 10 Koshiba S. . . 11 Terada T. . . 12 Shirouzu M. . . 13 Tanaka A. . . 14 Kigawa T. . . 15 Yokoyama S. . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein Science' _Journal_volume 17 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1531 _Page_last 1541 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Membrane-associated guanylate kinase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'WW domain' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'WW domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; GSSGSSGLDSELELPAGWEK IEDPVYGIYYVDHINRKTQY ENPVLEAKRKKQLESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 ASP 10 SER 11 GLU 12 LEU 13 GLU 14 LEU 15 PRO 16 ALA 17 GLY 18 TRP 19 GLU 20 LYS 21 ILE 22 GLU 23 ASP 24 PRO 25 VAL 26 TYR 27 GLY 28 ILE 29 TYR 30 TYR 31 VAL 32 ASP 33 HIS 34 ILE 35 ASN 36 ARG 37 LYS 38 THR 39 GLN 40 TYR 41 GLU 42 ASN 43 PRO 44 VAL 45 LEU 46 GLU 47 ALA 48 LYS 49 ARG 50 LYS 51 LYS 52 GLN 53 LEU 54 GLU 55 SER 56 GLY 57 PRO 58 SER 59 SER 60 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 2YSE "Solution Structure Of The Second Ww Domain From The Human Membrane-Associated Guanylate Kinase, Ww And Pdz Domain- Containing P" 100.00 60 100.00 100.00 4.91e-34 DBJ BAA32002 "BAI1-associated protein 1 [Homo sapiens]" 78.33 1256 100.00 100.00 7.57e-23 DBJ BAD90296 "mKIAA4129 protein [Mus musculus]" 78.33 1125 97.87 100.00 1.14e-22 DBJ BAE07184 "MAGI1a [Mus musculus]" 70.00 1235 97.62 100.00 1.69e-19 DBJ BAE07185 "MAGI1c [Mus musculus]" 70.00 1470 97.62 100.00 1.92e-19 DBJ BAE37498 "unnamed protein product [Mus musculus]" 78.33 1181 97.87 100.00 1.01e-22 EMBL CAH91366 "hypothetical protein [Pongo abelii]" 78.33 1030 100.00 100.00 5.51e-23 GB AAB91995 "putative membrane-associated guanylate kinase 1 [Mus musculus]" 70.00 1171 97.62 100.00 1.92e-19 GB AAC04844 "membrane associated guanylate kinase 1 [Homo sapiens]" 78.33 677 100.00 100.00 3.61e-23 GB AAH95943 "Magi1 protein, partial [Mus musculus]" 78.33 1115 97.87 100.00 1.27e-22 GB AAI50821 "Magi1 protein [Mus musculus]" 78.33 1280 97.87 100.00 1.18e-22 GB AAI67863 "Membrane associated guanylate kinase, WW and PDZ domain containing 1 [synthetic construct]" 78.33 1256 100.00 100.00 7.22e-23 REF NP_001025021 "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform c [Mus musculus]" 78.33 1471 97.87 100.00 1.30e-22 REF NP_001028229 "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform c [Homo sapiens]" 78.33 1462 100.00 100.00 8.18e-23 REF NP_001076789 "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform b [Mus musculus]" 78.33 1255 97.87 100.00 1.04e-22 REF NP_001076790 "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform d [Mus musculus]" 78.33 1020 97.87 100.00 8.80e-23 REF NP_001125806 "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 [Pongo abelii]" 78.33 1030 100.00 100.00 5.51e-23 SP Q6RHR9 "RecName: Full=Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1; AltName: Full=BAI1-associated prote" 78.33 1471 97.87 100.00 1.30e-22 SP Q96QZ7 "RecName: Full=Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1; AltName: Full=Atrophin-1-interactin" 78.33 1491 100.00 100.00 8.02e-23 TPG DAA17112 "TPA: membrane associated guanylate kinase, WW and PDZ domain containing 1 [Bos taurus]" 78.33 1452 100.00 100.00 7.70e-23 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P061024-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'WW domain' _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 5 5 SER N N 115.829 0.300 1 2 5 5 SER CA C 58.317 0.300 1 3 5 5 SER CB C 63.703 0.300 1 4 5 5 SER C C 174.849 0.300 1 5 6 6 SER N N 117.994 0.300 1 6 6 6 SER CA C 58.677 0.300 1 7 6 6 SER HA H 4.501 0.030 1 8 6 6 SER CB C 63.732 0.300 1 9 6 6 SER HB2 H 4.224 0.030 2 10 6 6 SER C C 175.043 0.300 1 11 7 7 GLY N N 110.716 0.300 1 12 7 7 GLY H H 8.429 0.030 1 13 7 7 GLY CA C 45.403 0.300 1 14 7 7 GLY HA2 H 3.976 0.030 1 15 7 7 GLY HA3 H 3.976 0.030 1 16 7 7 GLY C C 174.231 0.300 1 17 8 8 LEU N N 121.547 0.300 1 18 8 8 LEU H H 8.132 0.030 1 19 8 8 LEU CA C 55.233 0.300 1 20 8 8 LEU HA H 4.356 0.030 1 21 8 8 LEU CB C 42.416 0.300 1 22 8 8 LEU HB2 H 1.620 0.030 1 23 8 8 LEU HB3 H 1.620 0.030 1 24 8 8 LEU CG C 27.013 0.300 1 25 8 8 LEU HG H 1.594 0.030 1 26 8 8 LEU CD1 C 24.927 0.300 2 27 8 8 LEU HD1 H 0.846 0.030 1 28 8 8 LEU CD2 C 23.426 0.300 2 29 8 8 LEU C C 177.479 0.300 1 30 9 9 ASP N N 120.983 0.300 1 31 9 9 ASP H H 8.413 0.030 1 32 9 9 ASP CA C 54.826 0.300 1 33 9 9 ASP HA H 4.555 0.030 1 34 9 9 ASP CB C 40.967 0.300 1 35 9 9 ASP HB2 H 2.621 0.030 2 36 9 9 ASP HB3 H 2.702 0.030 2 37 9 9 ASP C C 176.609 0.300 1 38 10 10 SER N N 115.538 0.300 1 39 10 10 SER H H 8.146 0.030 1 40 10 10 SER CA C 58.926 0.300 1 41 10 10 SER HA H 4.361 0.030 1 42 10 10 SER CB C 63.924 0.300 1 43 10 10 SER HB2 H 3.830 0.030 2 44 10 10 SER HB3 H 3.903 0.030 2 45 10 10 SER C C 174.922 0.300 1 46 11 11 GLU N N 122.324 0.300 1 47 11 11 GLU H H 8.416 0.030 1 48 11 11 GLU CA C 56.763 0.300 1 49 11 11 GLU HA H 4.262 0.030 1 50 11 11 GLU CB C 29.860 0.300 1 51 11 11 GLU HB2 H 2.067 0.030 2 52 11 11 GLU HB3 H 1.959 0.030 2 53 11 11 GLU CG C 36.357 0.300 1 54 11 11 GLU HG2 H 2.219 0.030 2 55 11 11 GLU HG3 H 2.285 0.030 2 56 11 11 GLU C C 176.347 0.300 1 57 12 12 LEU N N 121.580 0.300 1 58 12 12 LEU H H 7.957 0.030 1 59 12 12 LEU CA C 54.921 0.300 1 60 12 12 LEU HA H 4.311 0.030 1 61 12 12 LEU CB C 42.313 0.300 1 62 12 12 LEU HB2 H 1.627 0.030 2 63 12 12 LEU HB3 H 1.535 0.030 2 64 12 12 LEU CG C 27.013 0.300 1 65 12 12 LEU HG H 1.610 0.030 1 66 12 12 LEU CD1 C 25.214 0.300 2 67 12 12 LEU HD1 H 0.882 0.030 1 68 12 12 LEU CD2 C 23.342 0.300 2 69 12 12 LEU HD2 H 0.829 0.030 1 70 12 12 LEU C C 176.945 0.300 1 71 13 13 GLU N N 122.146 0.300 1 72 13 13 GLU H H 8.088 0.030 1 73 13 13 GLU CA C 56.222 0.300 1 74 13 13 GLU HA H 4.236 0.030 1 75 13 13 GLU CB C 30.332 0.300 1 76 13 13 GLU HB2 H 1.914 0.030 2 77 13 13 GLU HB3 H 1.988 0.030 2 78 13 13 GLU CG C 36.274 0.300 1 79 13 13 GLU HG2 H 2.280 0.030 2 80 13 13 GLU C C 175.667 0.300 1 81 14 14 LEU N N 123.302 0.300 1 82 14 14 LEU H H 8.331 0.030 1 83 14 14 LEU CA C 52.689 0.300 1 84 14 14 LEU HA H 4.376 0.030 1 85 14 14 LEU CB C 41.859 0.300 1 86 14 14 LEU HB2 H 1.759 0.030 2 87 14 14 LEU HB3 H 1.404 0.030 2 88 14 14 LEU CG C 26.920 0.300 1 89 14 14 LEU HG H 1.846 0.030 1 90 14 14 LEU CD1 C 26.515 0.300 2 91 14 14 LEU HD1 H 1.054 0.030 1 92 14 14 LEU CD2 C 23.820 0.300 2 93 14 14 LEU HD2 H 0.812 0.030 1 94 14 14 LEU C C 174.694 0.300 1 95 15 15 PRO CA C 61.808 0.300 1 96 15 15 PRO HA H 4.509 0.030 1 97 15 15 PRO CB C 31.501 0.300 1 98 15 15 PRO HB2 H 2.424 0.030 2 99 15 15 PRO HB3 H 1.967 0.030 2 100 15 15 PRO CG C 27.108 0.300 1 101 15 15 PRO HG2 H 1.737 0.030 2 102 15 15 PRO HG3 H 1.537 0.030 2 103 15 15 PRO CD C 50.151 0.300 1 104 15 15 PRO HD2 H 2.876 0.030 2 105 15 15 PRO HD3 H 3.480 0.030 2 106 15 15 PRO C C 175.733 0.300 1 107 16 16 ALA N N 123.226 0.300 1 108 16 16 ALA H H 8.427 0.030 1 109 16 16 ALA CA C 53.836 0.300 1 110 16 16 ALA HA H 4.235 0.030 1 111 16 16 ALA CB C 18.391 0.300 1 112 16 16 ALA HB H 1.425 0.030 1 113 16 16 ALA C C 178.641 0.300 1 114 17 17 GLY N N 110.263 0.300 1 115 17 17 GLY H H 8.816 0.030 1 116 17 17 GLY CA C 45.465 0.300 1 117 17 17 GLY HA2 H 3.759 0.030 2 118 17 17 GLY HA3 H 4.261 0.030 2 119 17 17 GLY C C 173.251 0.300 1 120 18 18 TRP N N 118.263 0.300 1 121 18 18 TRP H H 7.782 0.030 1 122 18 18 TRP CA C 56.679 0.300 1 123 18 18 TRP HA H 5.840 0.030 1 124 18 18 TRP CB C 32.215 0.300 1 125 18 18 TRP HB2 H 3.311 0.030 2 126 18 18 TRP HB3 H 3.028 0.030 2 127 18 18 TRP CD1 C 127.127 0.300 1 128 18 18 TRP HD1 H 7.084 0.030 1 129 18 18 TRP NE1 N 129.574 0.300 1 130 18 18 TRP HE1 H 10.042 0.030 1 131 18 18 TRP CE3 C 119.926 0.300 1 132 18 18 TRP HE3 H 7.343 0.030 1 133 18 18 TRP CZ2 C 115.265 0.300 1 134 18 18 TRP HZ2 H 7.457 0.030 1 135 18 18 TRP CZ3 C 121.285 0.300 1 136 18 18 TRP HZ3 H 6.775 0.030 1 137 18 18 TRP CH2 C 123.806 0.300 1 138 18 18 TRP HH2 H 6.990 0.030 1 139 18 18 TRP C C 177.038 0.300 1 140 19 19 GLU N N 122.023 0.300 1 141 19 19 GLU H H 9.480 0.030 1 142 19 19 GLU CA C 55.126 0.300 1 143 19 19 GLU HA H 4.679 0.030 1 144 19 19 GLU CB C 34.865 0.300 1 145 19 19 GLU HB2 H 2.020 0.030 1 146 19 19 GLU HB3 H 2.020 0.030 1 147 19 19 GLU CG C 35.940 0.300 1 148 19 19 GLU HG2 H 2.172 0.030 2 149 19 19 GLU HG3 H 2.378 0.030 2 150 19 19 GLU C C 173.752 0.300 1 151 20 20 LYS N N 127.008 0.300 1 152 20 20 LYS H H 8.848 0.030 1 153 20 20 LYS CA C 55.531 0.300 1 154 20 20 LYS HA H 4.379 0.030 1 155 20 20 LYS CB C 33.946 0.300 1 156 20 20 LYS HB2 H 1.615 0.030 2 157 20 20 LYS HB3 H 1.830 0.030 2 158 20 20 LYS CG C 24.640 0.300 1 159 20 20 LYS HG2 H 0.822 0.030 2 160 20 20 LYS HG3 H 0.845 0.030 2 161 20 20 LYS CD C 29.668 0.300 1 162 20 20 LYS HD2 H 1.648 0.030 2 163 20 20 LYS HD3 H 1.712 0.030 2 164 20 20 LYS CE C 41.898 0.300 1 165 20 20 LYS HE2 H 2.892 0.030 2 166 20 20 LYS C C 174.530 0.300 1 167 21 21 ILE N N 130.740 0.300 1 168 21 21 ILE H H 8.894 0.030 1 169 21 21 ILE CA C 58.996 0.300 1 170 21 21 ILE HA H 4.035 0.030 1 171 21 21 ILE CB C 38.249 0.300 1 172 21 21 ILE HB H 0.582 0.030 1 173 21 21 ILE CG1 C 27.456 0.300 1 174 21 21 ILE HG12 H 0.965 0.030 1 175 21 21 ILE HG13 H 0.965 0.030 1 176 21 21 ILE CG2 C 17.591 0.300 1 177 21 21 ILE HG2 H 0.626 0.030 1 178 21 21 ILE CD1 C 11.153 0.300 1 179 21 21 ILE HD1 H 0.586 0.030 1 180 21 21 ILE C C 173.612 0.300 1 181 22 22 GLU N N 124.546 0.300 1 182 22 22 GLU H H 8.273 0.030 1 183 22 22 GLU CA C 54.652 0.300 1 184 22 22 GLU HA H 4.429 0.030 1 185 22 22 GLU CB C 29.876 0.300 1 186 22 22 GLU HB2 H 1.881 0.030 2 187 22 22 GLU HB3 H 1.747 0.030 2 188 22 22 GLU CG C 36.326 0.300 1 189 22 22 GLU HG2 H 1.991 0.030 2 190 22 22 GLU HG3 H 1.952 0.030 2 191 22 22 GLU C C 174.548 0.300 1 192 23 23 ASP N N 128.325 0.300 1 193 23 23 ASP H H 8.368 0.030 1 194 23 23 ASP CA C 51.555 0.300 1 195 23 23 ASP HA H 5.093 0.030 1 196 23 23 ASP CB C 45.902 0.300 1 197 23 23 ASP HB2 H 3.179 0.030 2 198 23 23 ASP HB3 H 2.715 0.030 2 199 23 23 ASP C C 175.729 0.300 1 200 24 24 PRO CA C 64.824 0.300 1 201 24 24 PRO HA H 4.356 0.030 1 202 24 24 PRO CB C 32.297 0.300 1 203 24 24 PRO HB2 H 1.936 0.030 2 204 24 24 PRO HB3 H 2.352 0.030 2 205 24 24 PRO CG C 27.368 0.300 1 206 24 24 PRO HG2 H 2.063 0.030 2 207 24 24 PRO HG3 H 1.981 0.030 2 208 24 24 PRO CD C 51.156 0.300 1 209 24 24 PRO HD2 H 3.769 0.030 2 210 24 24 PRO HD3 H 3.841 0.030 2 211 24 24 PRO C C 176.540 0.300 1 212 25 25 VAL N N 118.640 0.300 1 213 25 25 VAL H H 8.485 0.030 1 214 25 25 VAL CA C 64.125 0.300 1 215 25 25 VAL HA H 3.856 0.030 1 216 25 25 VAL CB C 33.098 0.300 1 217 25 25 VAL HB H 1.631 0.030 1 218 25 25 VAL CG1 C 20.272 0.300 2 219 25 25 VAL HG1 H 0.252 0.030 1 220 25 25 VAL CG2 C 21.657 0.300 2 221 25 25 VAL HG2 H 0.752 0.030 1 222 25 25 VAL C C 177.626 0.300 1 223 26 26 TYR N N 117.602 0.300 1 224 26 26 TYR H H 8.632 0.030 1 225 26 26 TYR CA C 59.189 0.300 1 226 26 26 TYR HA H 4.469 0.030 1 227 26 26 TYR CB C 39.193 0.300 1 228 26 26 TYR HB2 H 3.368 0.030 2 229 26 26 TYR HB3 H 2.550 0.030 2 230 26 26 TYR CD1 C 132.924 0.300 1 231 26 26 TYR HD1 H 7.160 0.030 1 232 26 26 TYR CD2 C 132.924 0.300 1 233 26 26 TYR HD2 H 7.160 0.030 1 234 26 26 TYR CE1 C 118.248 0.300 1 235 26 26 TYR HE1 H 6.766 0.030 1 236 26 26 TYR CE2 C 118.248 0.300 1 237 26 26 TYR HE2 H 6.766 0.030 1 238 26 26 TYR C C 176.124 0.300 1 239 27 27 GLY N N 110.042 0.300 1 240 27 27 GLY H H 8.181 0.030 1 241 27 27 GLY CA C 44.979 0.300 1 242 27 27 GLY HA2 H 3.890 0.030 2 243 27 27 GLY HA3 H 4.390 0.030 2 244 27 27 GLY C C 173.043 0.300 1 245 28 28 ILE N N 121.278 0.300 1 246 28 28 ILE H H 8.259 0.030 1 247 28 28 ILE CA C 60.867 0.300 1 248 28 28 ILE HA H 4.900 0.030 1 249 28 28 ILE CB C 38.763 0.300 1 250 28 28 ILE HB H 1.716 0.030 1 251 28 28 ILE CG1 C 28.873 0.300 1 252 28 28 ILE HG12 H 0.963 0.030 2 253 28 28 ILE HG13 H 1.710 0.030 2 254 28 28 ILE CG2 C 17.816 0.300 1 255 28 28 ILE HG2 H 0.639 0.030 1 256 28 28 ILE CD1 C 13.589 0.300 1 257 28 28 ILE HD1 H 0.885 0.030 1 258 28 28 ILE C C 176.805 0.300 1 259 29 29 TYR N N 124.534 0.300 1 260 29 29 TYR H H 8.822 0.030 1 261 29 29 TYR CA C 56.332 0.300 1 262 29 29 TYR HA H 4.712 0.030 1 263 29 29 TYR CB C 38.879 0.300 1 264 29 29 TYR HB2 H 2.822 0.030 2 265 29 29 TYR HB3 H 2.578 0.030 2 266 29 29 TYR CD1 C 133.804 0.300 1 267 29 29 TYR HD1 H 6.795 0.030 1 268 29 29 TYR CD2 C 133.804 0.300 1 269 29 29 TYR HD2 H 6.795 0.030 1 270 29 29 TYR CE1 C 117.553 0.300 1 271 29 29 TYR HE1 H 6.503 0.030 1 272 29 29 TYR CE2 C 117.553 0.300 1 273 29 29 TYR HE2 H 6.503 0.030 1 274 29 29 TYR C C 170.710 0.300 1 275 30 30 TYR N N 116.432 0.300 1 276 30 30 TYR H H 8.981 0.030 1 277 30 30 TYR CA C 56.921 0.300 1 278 30 30 TYR HA H 5.417 0.030 1 279 30 30 TYR CB C 41.603 0.300 1 280 30 30 TYR HB2 H 3.108 0.030 2 281 30 30 TYR HB3 H 2.898 0.030 2 282 30 30 TYR CD1 C 133.493 0.300 1 283 30 30 TYR HD1 H 6.884 0.030 1 284 30 30 TYR CD2 C 133.493 0.300 1 285 30 30 TYR HD2 H 6.884 0.030 1 286 30 30 TYR CE1 C 117.357 0.300 1 287 30 30 TYR HE1 H 6.777 0.030 1 288 30 30 TYR CE2 C 117.357 0.300 1 289 30 30 TYR HE2 H 6.777 0.030 1 290 30 30 TYR C C 174.825 0.300 1 291 31 31 VAL N N 121.385 0.300 1 292 31 31 VAL H H 9.266 0.030 1 293 31 31 VAL CA C 60.346 0.300 1 294 31 31 VAL HA H 4.610 0.030 1 295 31 31 VAL CB C 35.393 0.300 1 296 31 31 VAL HB H 1.663 0.030 1 297 31 31 VAL CG1 C 21.608 0.300 2 298 31 31 VAL HG1 H 0.801 0.030 1 299 31 31 VAL CG2 C 19.941 0.300 2 300 31 31 VAL HG2 H 0.392 0.030 1 301 31 31 VAL C C 173.103 0.300 1 302 32 32 ASP N N 126.129 0.300 1 303 32 32 ASP H H 8.340 0.030 1 304 32 32 ASP CA C 51.134 0.300 1 305 32 32 ASP HA H 3.702 0.030 1 306 32 32 ASP CB C 39.252 0.300 1 307 32 32 ASP HB2 H 1.895 0.030 2 308 32 32 ASP HB3 H 0.091 0.030 2 309 32 32 ASP C C 177.731 0.300 1 310 33 33 HIS N N 121.984 0.300 1 311 33 33 HIS H H 8.728 0.030 1 312 33 33 HIS CA C 58.404 0.300 1 313 33 33 HIS HA H 4.218 0.030 1 314 33 33 HIS CB C 30.594 0.300 1 315 33 33 HIS HB2 H 3.124 0.030 2 316 33 33 HIS HB3 H 3.056 0.030 2 317 33 33 HIS CD2 C 118.901 0.300 1 318 33 33 HIS HD2 H 6.958 0.030 1 319 33 33 HIS CE1 C 138.430 0.300 1 320 33 33 HIS HE1 H 7.908 0.030 1 321 33 33 HIS C C 176.844 0.300 1 322 34 34 ILE N N 120.023 0.300 1 323 34 34 ILE H H 8.090 0.030 1 324 34 34 ILE CA C 63.382 0.300 1 325 34 34 ILE HA H 3.845 0.030 1 326 34 34 ILE CB C 37.023 0.300 1 327 34 34 ILE HB H 1.971 0.030 1 328 34 34 ILE CG1 C 28.285 0.300 1 329 34 34 ILE HG12 H 1.184 0.030 2 330 34 34 ILE HG13 H 1.558 0.030 2 331 34 34 ILE CG2 C 16.671 0.300 1 332 34 34 ILE HG2 H 0.781 0.030 1 333 34 34 ILE CD1 C 11.474 0.300 1 334 34 34 ILE HD1 H 0.819 0.030 1 335 34 34 ILE C C 177.464 0.300 1 336 35 35 ASN N N 115.543 0.300 1 337 35 35 ASN H H 7.620 0.030 1 338 35 35 ASN CA C 53.139 0.300 1 339 35 35 ASN HA H 4.587 0.030 1 340 35 35 ASN CB C 38.909 0.300 1 341 35 35 ASN HB2 H 2.595 0.030 2 342 35 35 ASN HB3 H 2.328 0.030 2 343 35 35 ASN ND2 N 119.673 0.300 1 344 35 35 ASN HD21 H 6.983 0.030 2 345 35 35 ASN HD22 H 9.118 0.030 2 346 35 35 ASN C C 173.887 0.300 1 347 36 36 ARG N N 117.698 0.300 1 348 36 36 ARG H H 7.596 0.030 1 349 36 36 ARG CA C 56.824 0.300 1 350 36 36 ARG HA H 3.850 0.030 1 351 36 36 ARG CB C 26.161 0.300 1 352 36 36 ARG HB2 H 2.014 0.030 2 353 36 36 ARG HB3 H 1.753 0.030 2 354 36 36 ARG CG C 27.180 0.300 1 355 36 36 ARG HG2 H 1.434 0.030 2 356 36 36 ARG CD C 43.458 0.300 1 357 36 36 ARG HD2 H 3.123 0.030 2 358 36 36 ARG C C 174.732 0.300 1 359 37 37 LYS N N 117.773 0.300 1 360 37 37 LYS H H 7.471 0.030 1 361 37 37 LYS CA C 54.528 0.300 1 362 37 37 LYS HA H 4.795 0.030 1 363 37 37 LYS CB C 36.493 0.300 1 364 37 37 LYS HB2 H 1.527 0.030 2 365 37 37 LYS HB3 H 1.835 0.030 2 366 37 37 LYS CG C 24.574 0.300 1 367 37 37 LYS HG2 H 1.280 0.030 2 368 37 37 LYS CD C 29.108 0.300 1 369 37 37 LYS HD2 H 1.710 0.030 2 370 37 37 LYS CE C 42.286 0.300 1 371 37 37 LYS HE2 H 3.018 0.030 2 372 37 37 LYS C C 174.870 0.300 1 373 38 38 THR N N 114.635 0.300 1 374 38 38 THR H H 8.322 0.030 1 375 38 38 THR CA C 60.506 0.300 1 376 38 38 THR HA H 5.390 0.030 1 377 38 38 THR CB C 71.424 0.300 1 378 38 38 THR HB H 3.942 0.030 1 379 38 38 THR CG2 C 22.169 0.300 1 380 38 38 THR HG2 H 1.015 0.030 1 381 38 38 THR C C 173.840 0.300 1 382 39 39 GLN N N 117.672 0.300 1 383 39 39 GLN H H 9.335 0.030 1 384 39 39 GLN CA C 54.878 0.300 1 385 39 39 GLN HA H 4.899 0.030 1 386 39 39 GLN CB C 32.186 0.300 1 387 39 39 GLN HB2 H 2.591 0.030 2 388 39 39 GLN HB3 H 2.367 0.030 2 389 39 39 GLN CG C 32.420 0.300 1 390 39 39 GLN HG2 H 2.571 0.030 2 391 39 39 GLN HG3 H 2.358 0.030 2 392 39 39 GLN NE2 N 113.777 0.300 1 393 39 39 GLN HE21 H 7.772 0.030 2 394 39 39 GLN HE22 H 7.193 0.030 2 395 39 39 GLN C C 174.549 0.300 1 396 40 40 TYR N N 119.391 0.300 1 397 40 40 TYR H H 8.858 0.030 1 398 40 40 TYR CA C 60.804 0.300 1 399 40 40 TYR HA H 4.752 0.030 1 400 40 40 TYR CB C 39.167 0.300 1 401 40 40 TYR HB2 H 3.333 0.030 2 402 40 40 TYR HB3 H 2.913 0.030 2 403 40 40 TYR CD1 C 133.311 0.300 1 404 40 40 TYR HD1 H 7.421 0.030 1 405 40 40 TYR CD2 C 133.311 0.300 1 406 40 40 TYR HD2 H 7.421 0.030 1 407 40 40 TYR CE1 C 118.354 0.300 1 408 40 40 TYR HE1 H 6.815 0.030 1 409 40 40 TYR CE2 C 118.354 0.300 1 410 40 40 TYR HE2 H 6.815 0.030 1 411 40 40 TYR C C 176.295 0.300 1 412 41 41 GLU N N 119.491 0.300 1 413 41 41 GLU H H 8.079 0.030 1 414 41 41 GLU CA C 56.296 0.300 1 415 41 41 GLU HA H 4.351 0.030 1 416 41 41 GLU CB C 30.517 0.300 1 417 41 41 GLU HB2 H 1.807 0.030 2 418 41 41 GLU HB3 H 1.894 0.030 2 419 41 41 GLU CG C 36.441 0.300 1 420 41 41 GLU HG2 H 2.204 0.030 2 421 41 41 GLU HG3 H 2.319 0.030 2 422 41 41 GLU C C 175.460 0.300 1 423 42 42 ASN N N 125.050 0.300 1 424 42 42 ASN H H 8.720 0.030 1 425 42 42 ASN CA C 51.186 0.300 1 426 42 42 ASN HA H 2.979 0.030 1 427 42 42 ASN CB C 38.637 0.300 1 428 42 42 ASN HB2 H 2.545 0.030 1 429 42 42 ASN HB3 H 2.545 0.030 1 430 42 42 ASN ND2 N 111.585 0.300 1 431 42 42 ASN HD21 H 7.439 0.030 2 432 42 42 ASN HD22 H 6.822 0.030 2 433 42 42 ASN C C 174.950 0.300 1 434 43 43 PRO CA C 63.681 0.300 1 435 43 43 PRO HA H 3.869 0.030 1 436 43 43 PRO CB C 31.408 0.300 1 437 43 43 PRO HB2 H 0.979 0.030 1 438 43 43 PRO HB3 H 0.979 0.030 1 439 43 43 PRO CG C 26.179 0.300 1 440 43 43 PRO HG2 H 0.673 0.030 2 441 43 43 PRO HG3 H 0.172 0.030 2 442 43 43 PRO CD C 50.123 0.300 1 443 43 43 PRO HD2 H 2.571 0.030 2 444 43 43 PRO HD3 H 2.658 0.030 2 445 43 43 PRO C C 178.273 0.300 1 446 44 44 VAL N N 119.901 0.300 1 447 44 44 VAL H H 7.968 0.030 1 448 44 44 VAL CA C 64.744 0.300 1 449 44 44 VAL HA H 3.646 0.030 1 450 44 44 VAL CB C 31.581 0.300 1 451 44 44 VAL HB H 1.915 0.030 1 452 44 44 VAL CG1 C 21.209 0.300 2 453 44 44 VAL HG1 H 0.819 0.030 1 454 44 44 VAL CG2 C 22.078 0.300 2 455 44 44 VAL HG2 H 0.841 0.030 1 456 44 44 VAL C C 177.625 0.300 1 457 45 45 LEU N N 120.711 0.300 1 458 45 45 LEU H H 7.076 0.030 1 459 45 45 LEU CA C 56.822 0.300 1 460 45 45 LEU HA H 3.994 0.030 1 461 45 45 LEU CB C 41.194 0.300 1 462 45 45 LEU HB2 H 1.660 0.030 2 463 45 45 LEU HB3 H 1.541 0.030 2 464 45 45 LEU CG C 27.099 0.300 1 465 45 45 LEU HG H 1.457 0.030 1 466 45 45 LEU CD1 C 24.856 0.300 2 467 45 45 LEU HD1 H 0.916 0.030 1 468 45 45 LEU CD2 C 23.009 0.300 2 469 45 45 LEU HD2 H 0.797 0.030 1 470 45 45 LEU C C 179.099 0.300 1 471 46 46 GLU N N 120.581 0.300 1 472 46 46 GLU H H 8.001 0.030 1 473 46 46 GLU CA C 58.462 0.300 1 474 46 46 GLU HA H 3.961 0.030 1 475 46 46 GLU CB C 29.956 0.300 1 476 46 46 GLU HB2 H 1.897 0.030 2 477 46 46 GLU HB3 H 1.808 0.030 2 478 46 46 GLU CG C 35.869 0.300 1 479 46 46 GLU HG2 H 2.090 0.030 2 480 46 46 GLU HG3 H 2.168 0.030 2 481 46 46 GLU C C 177.685 0.300 1 482 47 47 ALA N N 121.265 0.300 1 483 47 47 ALA H H 7.625 0.030 1 484 47 47 ALA CA C 54.438 0.300 1 485 47 47 ALA HA H 4.082 0.030 1 486 47 47 ALA CB C 18.192 0.300 1 487 47 47 ALA HB H 1.398 0.030 1 488 47 47 ALA C C 179.879 0.300 1 489 48 48 LYS N N 118.414 0.300 1 490 48 48 LYS H H 7.776 0.030 1 491 48 48 LYS CA C 58.491 0.300 1 492 48 48 LYS HA H 4.063 0.030 1 493 48 48 LYS CB C 32.565 0.300 1 494 48 48 LYS HB2 H 1.853 0.030 1 495 48 48 LYS HB3 H 1.853 0.030 1 496 48 48 LYS CG C 25.200 0.300 1 497 48 48 LYS HG2 H 1.385 0.030 2 498 48 48 LYS HG3 H 1.540 0.030 2 499 48 48 LYS CD C 29.394 0.300 1 500 48 48 LYS HD2 H 1.616 0.030 2 501 48 48 LYS CE C 42.030 0.300 1 502 48 48 LYS HE2 H 2.908 0.030 2 503 48 48 LYS C C 178.235 0.300 1 504 49 49 ARG N N 120.324 0.300 1 505 49 49 ARG H H 7.968 0.030 1 506 49 49 ARG CA C 58.156 0.300 1 507 49 49 ARG HA H 4.140 0.030 1 508 49 49 ARG CB C 30.349 0.300 1 509 49 49 ARG HB2 H 1.820 0.030 2 510 49 49 ARG HB3 H 1.883 0.030 2 511 49 49 ARG CG C 27.474 0.300 1 512 49 49 ARG HG2 H 1.581 0.030 2 513 49 49 ARG HG3 H 1.660 0.030 2 514 49 49 ARG CD C 43.289 0.300 1 515 49 49 ARG HD2 H 3.214 0.030 2 516 49 49 ARG HD3 H 3.126 0.030 2 517 49 49 ARG C C 177.985 0.300 1 518 50 50 LYS N N 120.001 0.300 1 519 50 50 LYS H H 8.051 0.030 1 520 50 50 LYS CA C 58.185 0.300 1 521 50 50 LYS HA H 4.099 0.030 1 522 50 50 LYS CB C 32.645 0.300 1 523 50 50 LYS HB2 H 1.802 0.030 1 524 50 50 LYS CG C 25.396 0.300 1 525 50 50 LYS HG2 H 1.393 0.030 2 526 50 50 LYS HG3 H 1.541 0.030 2 527 50 50 LYS CD C 29.328 0.300 1 528 50 50 LYS HD2 H 1.662 0.030 2 529 50 50 LYS CE C 42.114 0.300 1 530 50 50 LYS HE2 H 2.966 0.030 2 531 50 50 LYS C C 177.791 0.300 1 532 51 51 LYS N N 120.458 0.300 1 533 51 51 LYS H H 7.915 0.030 1 534 51 51 LYS CA C 57.452 0.300 1 535 51 51 LYS HA H 4.189 0.030 1 536 51 51 LYS CB C 32.620 0.300 1 537 51 51 LYS HB2 H 1.857 0.030 1 538 51 51 LYS HB3 H 1.857 0.030 1 539 51 51 LYS CG C 24.802 0.300 1 540 51 51 LYS HG2 H 1.482 0.030 2 541 51 51 LYS HG3 H 1.452 0.030 2 542 51 51 LYS CD C 29.022 0.300 1 543 51 51 LYS HD2 H 1.678 0.030 2 544 51 51 LYS CE C 42.120 0.300 1 545 51 51 LYS HE2 H 2.968 0.030 2 546 51 51 LYS C C 177.670 0.300 1 547 52 52 GLN N N 119.883 0.300 1 548 52 52 GLN H H 8.060 0.030 1 549 52 52 GLN CA C 56.866 0.300 1 550 52 52 GLN HA H 4.213 0.030 1 551 52 52 GLN CB C 28.969 0.300 1 552 52 52 GLN HB2 H 2.117 0.030 2 553 52 52 GLN HB3 H 2.094 0.030 2 554 52 52 GLN CG C 33.938 0.300 1 555 52 52 GLN HG2 H 2.383 0.030 2 556 52 52 GLN HG3 H 2.431 0.030 2 557 52 52 GLN NE2 N 112.161 0.300 1 558 52 52 GLN HE21 H 7.520 0.030 2 559 52 52 GLN HE22 H 6.857 0.030 2 560 52 52 GLN C C 176.851 0.300 1 561 53 53 LEU N N 121.489 0.300 1 562 53 53 LEU H H 8.027 0.030 1 563 53 53 LEU CA C 55.826 0.300 1 564 53 53 LEU HA H 4.288 0.030 1 565 53 53 LEU CB C 42.379 0.300 1 566 53 53 LEU HB2 H 1.614 0.030 2 567 53 53 LEU HB3 H 1.729 0.030 2 568 53 53 LEU CG C 26.912 0.300 1 569 53 53 LEU HG H 1.692 0.030 1 570 53 53 LEU CD1 C 25.023 0.300 2 571 53 53 LEU HD1 H 0.896 0.030 1 572 53 53 LEU CD2 C 23.342 0.300 2 573 53 53 LEU HD2 H 0.870 0.030 1 574 53 53 LEU C C 177.973 0.300 1 575 54 54 GLU N N 120.395 0.300 1 576 54 54 GLU H H 8.141 0.030 1 577 54 54 GLU CA C 56.906 0.300 1 578 54 54 GLU HA H 4.291 0.030 1 579 54 54 GLU CB C 30.228 0.300 1 580 54 54 GLU HB2 H 2.003 0.030 2 581 54 54 GLU HB3 H 2.096 0.030 2 582 54 54 GLU CG C 36.317 0.300 1 583 54 54 GLU HG2 H 2.351 0.030 2 584 54 54 GLU HG3 H 2.267 0.030 2 585 54 54 GLU C C 176.762 0.300 1 586 55 55 SER N N 115.834 0.300 1 587 55 55 SER H H 8.178 0.030 1 588 55 55 SER CA C 58.606 0.300 1 589 55 55 SER HA H 4.492 0.030 1 590 55 55 SER CB C 63.869 0.300 1 591 55 55 SER HB2 H 3.902 0.030 1 592 55 55 SER HB3 H 3.902 0.030 1 593 55 55 SER C C 174.614 0.300 1 594 56 56 GLY N N 110.601 0.300 1 595 56 56 GLY H H 8.163 0.030 1 596 56 56 GLY CA C 44.731 0.300 1 597 56 56 GLY HA2 H 4.098 0.030 2 598 56 56 GLY HA3 H 4.167 0.030 2 599 56 56 GLY C C 171.805 0.300 1 600 57 57 PRO CA C 63.271 0.300 1 601 57 57 PRO HA H 4.475 0.030 1 602 57 57 PRO CB C 32.133 0.300 1 603 57 57 PRO HB2 H 1.963 0.030 2 604 57 57 PRO HB3 H 2.278 0.030 2 605 57 57 PRO CG C 27.162 0.300 1 606 57 57 PRO HG2 H 2.007 0.030 1 607 57 57 PRO HG3 H 2.007 0.030 1 608 57 57 PRO CD C 49.805 0.300 1 609 57 57 PRO HD2 H 3.625 0.030 1 610 57 57 PRO HD3 H 3.625 0.030 1 611 57 57 PRO C C 177.422 0.300 1 612 58 58 SER N N 116.422 0.300 1 613 58 58 SER H H 8.524 0.030 1 614 58 58 SER CA C 58.457 0.300 1 615 58 58 SER HA H 4.494 0.030 1 616 58 58 SER CB C 63.945 0.300 1 617 58 58 SER HB2 H 3.914 0.030 1 618 58 58 SER HB3 H 3.914 0.030 1 619 58 58 SER C C 174.720 0.300 1 620 59 59 SER N N 117.951 0.300 1 621 59 59 SER H H 8.342 0.030 1 622 59 59 SER CA C 58.327 0.300 1 623 59 59 SER HA H 4.491 0.030 1 624 59 59 SER CB C 63.965 0.300 1 625 59 59 SER HB2 H 3.907 0.030 1 626 59 59 SER HB3 H 3.907 0.030 1 627 59 59 SER C C 173.967 0.300 1 628 60 60 GLY N N 116.885 0.300 1 629 60 60 GLY H H 8.054 0.030 1 630 60 60 GLY CA C 46.223 0.300 1 631 60 60 GLY C C 179.022 0.300 1 stop_ save_