data_11318 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Strutcure of the SH3 domain of the Cdc42-interacting protein 4 ; _BMRB_accession_number 11318 _BMRB_flat_file_name bmr11318.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 337 "13C chemical shifts" 257 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Strutcure of the SH3 domain of the Cdc42-interacting protein 4' _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 Miyamoto K. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Cdc42-interacting protein 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 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 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGGHCVAIYHFEGSS EGTISMAEGEDLSLMEEDKG DGWTRVRRKEGGEGYVPTSY LRVTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 HIS 10 CYS 11 VAL 12 ALA 13 ILE 14 TYR 15 HIS 16 PHE 17 GLU 18 GLY 19 SER 20 SER 21 GLU 22 GLY 23 THR 24 ILE 25 SER 26 MET 27 ALA 28 GLU 29 GLY 30 GLU 31 ASP 32 LEU 33 SER 34 LEU 35 MET 36 GLU 37 GLU 38 ASP 39 LYS 40 GLY 41 ASP 42 GLY 43 TRP 44 THR 45 ARG 46 VAL 47 ARG 48 ARG 49 LYS 50 GLU 51 GLY 52 GLY 53 GLU 54 GLY 55 TYR 56 VAL 57 PRO 58 THR 59 SER 60 TYR 61 LEU 62 ARG 63 VAL 64 THR 65 SER 66 GLY 67 PRO 68 SER 69 SER 70 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2CT4 "Solution Strutcure Of The Sh3 Domain Of The Cdc42- Interacting Protein 4" 100.00 70 100.00 100.00 3.36e-40 DBJ BAD96829 "thyroid hormone receptor interactor 10 variant [Homo sapiens]" 81.43 545 100.00 100.00 9.39e-30 DBJ BAE00629 "unnamed protein product [Macaca fascicularis]" 81.43 437 100.00 100.00 3.76e-29 DBJ BAF80144 "salt-tolerant protein [Homo sapiens]" 81.43 545 100.00 100.00 3.90e-30 DBJ BAG36103 "unnamed protein product [Homo sapiens]" 81.43 545 100.00 100.00 5.63e-30 DBJ BAK63850 "CDC42-interacting protein 4 [Pan troglodytes]" 81.43 437 100.00 100.00 4.87e-29 EMBL CAA04062 "Cdc42-interacting protein 4 [Homo sapiens]" 81.43 545 100.00 100.00 5.63e-30 EMBL CAG38751 "TRIP10 [Homo sapiens]" 81.43 545 98.25 98.25 6.05e-29 EMBL CAH90516 "hypothetical protein [Pongo abelii]" 81.43 601 100.00 100.00 2.12e-29 GB AAC41729 "thyroid receptor interactor, partial [Homo sapiens]" 81.43 115 100.00 100.00 6.45e-33 GB AAH13002 "Thyroid hormone receptor interactor 10 [Homo sapiens]" 81.43 545 100.00 100.00 5.63e-30 GB AAI33400 "Thyroid hormone receptor interactor 10 [Bos taurus]" 80.00 603 98.21 100.00 2.66e-28 GB AAM46851 "Cdc42-interaction protein 4 long isoform [Homo sapiens]" 81.43 601 100.00 100.00 2.06e-29 GB AAP35344 "thyroid hormone receptor interactor 10 [Homo sapiens]" 81.43 545 100.00 100.00 5.63e-30 REF NP_001074999 "cdc42-interacting protein 4 [Bos taurus]" 80.00 603 98.21 100.00 2.66e-28 REF NP_001125273 "cdc42-interacting protein 4 [Pongo abelii]" 81.43 601 100.00 100.00 2.12e-29 REF NP_001275891 "cdc42-interacting protein 4 isoform 1 [Homo sapiens]" 81.43 601 100.00 100.00 2.06e-29 REF NP_004231 "cdc42-interacting protein 4 isoform 2 [Homo sapiens]" 81.43 545 100.00 100.00 5.63e-30 REF XP_001092276 "PREDICTED: cdc42-interacting protein 4-like [Macaca mulatta]" 81.43 437 100.00 100.00 3.76e-29 SP Q15642 "RecName: Full=Cdc42-interacting protein 4; AltName: Full=Protein Felic; AltName: Full=Salt tolerant protein; Short=hSTP; AltNam" 81.43 601 100.00 100.00 2.06e-29 SP Q5RCJ1 "RecName: Full=Cdc42-interacting protein 4; AltName: Full=Thyroid receptor-interacting protein 10; Short=TR-interacting protein " 81.43 601 100.00 100.00 2.12e-29 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' 'E. coli' Escherichia coli . plasmid P041213-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.36mM SH3 domain {U-13C,15N;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90%H2O, 10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.36 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.925 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'SH3 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 6 6 SER HA H 4.507 0.030 1 2 6 6 SER HB2 H 3.884 0.030 1 3 6 6 SER HB3 H 3.884 0.030 1 4 6 6 SER C C 174.852 0.300 1 5 6 6 SER CA C 58.453 0.300 1 6 6 6 SER CB C 63.897 0.300 1 7 7 7 GLY H H 8.423 0.030 1 8 7 7 GLY HA2 H 4.026 0.030 1 9 7 7 GLY HA3 H 4.026 0.030 1 10 7 7 GLY C C 174.345 0.300 1 11 7 7 GLY CA C 45.285 0.300 1 12 7 7 GLY N N 110.647 0.300 1 13 8 8 GLY H H 8.316 0.030 1 14 8 8 GLY HA2 H 3.998 0.030 2 15 8 8 GLY HA3 H 4.105 0.030 2 16 8 8 GLY C C 173.437 0.300 1 17 8 8 GLY CA C 45.044 0.300 1 18 8 8 GLY N N 107.792 0.300 1 19 9 9 HIS H H 8.675 0.030 1 20 9 9 HIS HA H 5.124 0.030 1 21 9 9 HIS HB2 H 3.045 0.030 2 22 9 9 HIS HB3 H 3.147 0.030 2 23 9 9 HIS HD2 H 7.094 0.030 1 24 9 9 HIS HE1 H 7.900 0.030 1 25 9 9 HIS C C 173.976 0.300 1 26 9 9 HIS CA C 56.138 0.300 1 27 9 9 HIS CB C 32.612 0.300 1 28 9 9 HIS CD2 C 120.221 0.300 1 29 9 9 HIS CE1 C 137.533 0.300 1 30 9 9 HIS N N 121.272 0.300 1 31 10 10 CYS H H 8.606 0.030 1 32 10 10 CYS HA H 5.359 0.030 1 33 10 10 CYS HB2 H 2.586 0.030 2 34 10 10 CYS HB3 H 3.022 0.030 2 35 10 10 CYS C C 171.281 0.300 1 36 10 10 CYS CA C 55.938 0.300 1 37 10 10 CYS CB C 31.514 0.300 1 38 10 10 CYS N N 117.899 0.300 1 39 11 11 VAL H H 8.713 0.030 1 40 11 11 VAL HA H 5.268 0.030 1 41 11 11 VAL HB H 1.749 0.030 1 42 11 11 VAL HG1 H 0.877 0.030 1 43 11 11 VAL HG2 H 0.811 0.030 1 44 11 11 VAL C C 175.135 0.300 1 45 11 11 VAL CA C 59.221 0.300 1 46 11 11 VAL CB C 35.966 0.300 1 47 11 11 VAL CG1 C 21.473 0.300 2 48 11 11 VAL CG2 C 20.721 0.300 2 49 11 11 VAL N N 119.251 0.300 1 50 12 12 ALA H H 8.234 0.030 1 51 12 12 ALA HA H 4.726 0.030 1 52 12 12 ALA HB H 1.804 0.030 1 53 12 12 ALA C C 179.412 0.300 1 54 12 12 ALA CA C 52.180 0.300 1 55 12 12 ALA CB C 18.648 0.300 1 56 12 12 ALA N N 127.811 0.300 1 57 13 13 ILE H H 9.357 0.030 1 58 13 13 ILE HA H 3.889 0.030 1 59 13 13 ILE HB H 1.251 0.030 1 60 13 13 ILE HD1 H 0.627 0.030 1 61 13 13 ILE HG12 H 0.597 0.030 2 62 13 13 ILE HG13 H 1.077 0.030 2 63 13 13 ILE HG2 H 0.317 0.030 1 64 13 13 ILE C C 174.422 0.300 1 65 13 13 ILE CA C 62.600 0.300 1 66 13 13 ILE CB C 38.957 0.300 1 67 13 13 ILE CD1 C 13.700 0.300 1 68 13 13 ILE CG1 C 27.742 0.300 1 69 13 13 ILE CG2 C 17.653 0.300 1 70 13 13 ILE N N 124.739 0.300 1 71 14 14 TYR H H 6.998 0.030 1 72 14 14 TYR HA H 4.872 0.030 1 73 14 14 TYR HB2 H 2.168 0.030 2 74 14 14 TYR HB3 H 2.938 0.030 2 75 14 14 TYR HD1 H 6.617 0.030 1 76 14 14 TYR HD2 H 6.617 0.030 1 77 14 14 TYR HE1 H 6.638 0.030 1 78 14 14 TYR HE2 H 6.638 0.030 1 79 14 14 TYR C C 174.056 0.300 1 80 14 14 TYR CA C 54.438 0.300 1 81 14 14 TYR CB C 42.311 0.300 1 82 14 14 TYR CD1 C 133.457 0.300 1 83 14 14 TYR CD2 C 133.457 0.300 1 84 14 14 TYR CE1 C 117.769 0.300 1 85 14 14 TYR CE2 C 117.769 0.300 1 86 14 14 TYR N N 114.451 0.300 1 87 15 15 HIS H H 8.197 0.030 1 88 15 15 HIS HA H 4.704 0.030 1 89 15 15 HIS HB2 H 3.174 0.030 2 90 15 15 HIS HB3 H 3.316 0.030 2 91 15 15 HIS HD2 H 7.138 0.030 1 92 15 15 HIS HE1 H 7.984 0.030 1 93 15 15 HIS C C 174.841 0.300 1 94 15 15 HIS CA C 56.328 0.300 1 95 15 15 HIS CB C 31.511 0.300 1 96 15 15 HIS CD2 C 120.418 0.300 1 97 15 15 HIS CE1 C 138.648 0.300 1 98 15 15 HIS N N 117.024 0.300 1 99 16 16 PHE H H 8.730 0.030 1 100 16 16 PHE HA H 4.984 0.030 1 101 16 16 PHE HB2 H 2.925 0.030 2 102 16 16 PHE HB3 H 3.329 0.030 2 103 16 16 PHE HD1 H 7.560 0.030 1 104 16 16 PHE HD2 H 7.560 0.030 1 105 16 16 PHE HE1 H 7.655 0.030 1 106 16 16 PHE HE2 H 7.655 0.030 1 107 16 16 PHE HZ H 7.676 0.030 1 108 16 16 PHE C C 173.376 0.300 1 109 16 16 PHE CA C 57.380 0.300 1 110 16 16 PHE CB C 44.702 0.300 1 111 16 16 PHE CD1 C 132.770 0.300 1 112 16 16 PHE CD2 C 132.770 0.300 1 113 16 16 PHE CE1 C 132.301 0.300 1 114 16 16 PHE CE2 C 132.301 0.300 1 115 16 16 PHE CZ C 129.989 0.300 1 116 16 16 PHE N N 122.219 0.300 1 117 17 17 GLU H H 8.066 0.030 1 118 17 17 GLU HA H 4.404 0.030 1 119 17 17 GLU HB2 H 1.760 0.030 2 120 17 17 GLU HB3 H 1.810 0.030 2 121 17 17 GLU HG2 H 2.110 0.030 1 122 17 17 GLU HG3 H 2.110 0.030 1 123 17 17 GLU C C 175.231 0.300 1 124 17 17 GLU CA C 54.828 0.300 1 125 17 17 GLU CB C 30.346 0.300 1 126 17 17 GLU CG C 36.016 0.300 1 127 17 17 GLU N N 128.064 0.300 1 128 18 18 GLY H H 7.905 0.030 1 129 18 18 GLY HA2 H 3.816 0.030 2 130 18 18 GLY HA3 H 3.190 0.030 2 131 18 18 GLY C C 174.366 0.300 1 132 18 18 GLY CA C 46.756 0.300 1 133 18 18 GLY N N 112.864 0.300 1 134 19 19 SER H H 8.121 0.030 1 135 19 19 SER HA H 4.386 0.030 1 136 19 19 SER HB2 H 3.727 0.030 2 137 19 19 SER HB3 H 3.910 0.030 2 138 19 19 SER C C 174.677 0.300 1 139 19 19 SER CA C 58.589 0.300 1 140 19 19 SER CB C 63.854 0.300 1 141 19 19 SER N N 116.427 0.300 1 142 20 20 SER H H 7.806 0.030 1 143 20 20 SER HA H 4.615 0.030 1 144 20 20 SER HB2 H 3.856 0.030 1 145 20 20 SER HB3 H 3.856 0.030 1 146 20 20 SER C C 174.773 0.300 1 147 20 20 SER CA C 57.811 0.300 1 148 20 20 SER CB C 64.252 0.300 1 149 20 20 SER N N 116.078 0.300 1 150 21 21 GLU HA H 4.123 0.030 1 151 21 21 GLU HB2 H 1.968 0.030 2 152 21 21 GLU HB3 H 2.010 0.030 2 153 21 21 GLU HG2 H 2.283 0.030 1 154 21 21 GLU HG3 H 2.283 0.030 1 155 21 21 GLU C C 177.410 0.300 1 156 21 21 GLU CA C 58.589 0.300 1 157 21 21 GLU CB C 29.272 0.300 1 158 21 21 GLU CG C 36.016 0.300 1 159 22 22 GLY H H 8.967 0.030 1 160 22 22 GLY HA2 H 3.902 0.030 2 161 22 22 GLY HA3 H 4.327 0.030 2 162 22 22 GLY C C 175.019 0.300 1 163 22 22 GLY CA C 45.461 0.300 1 164 22 22 GLY N N 113.075 0.300 1 165 23 23 THR H H 7.713 0.030 1 166 23 23 THR HA H 5.537 0.030 1 167 23 23 THR HB H 4.715 0.030 1 168 23 23 THR HG2 H 1.011 0.030 1 169 23 23 THR C C 174.196 0.300 1 170 23 23 THR CA C 60.845 0.300 1 171 23 23 THR CB C 72.603 0.300 1 172 23 23 THR CG2 C 22.727 0.300 1 173 23 23 THR N N 110.537 0.300 1 174 24 24 ILE H H 7.822 0.030 1 175 24 24 ILE HA H 4.769 0.030 1 176 24 24 ILE HB H 1.515 0.030 1 177 24 24 ILE HD1 H 0.704 0.030 1 178 24 24 ILE HG12 H 1.471 0.030 2 179 24 24 ILE HG13 H 0.954 0.030 2 180 24 24 ILE HG2 H 0.587 0.030 1 181 24 24 ILE C C 171.838 0.300 1 182 24 24 ILE CA C 58.893 0.300 1 183 24 24 ILE CB C 42.921 0.300 1 184 24 24 ILE CD1 C 14.713 0.300 1 185 24 24 ILE CG1 C 27.547 0.300 1 186 24 24 ILE CG2 C 17.210 0.300 1 187 24 24 ILE N N 117.065 0.300 1 188 25 25 SER H H 7.490 0.030 1 189 25 25 SER HA H 4.939 0.030 1 190 25 25 SER HB2 H 3.778 0.030 2 191 25 25 SER HB3 H 4.072 0.030 2 192 25 25 SER C C 172.296 0.300 1 193 25 25 SER CA C 57.723 0.300 1 194 25 25 SER CB C 64.840 0.300 1 195 25 25 SER N N 114.933 0.300 1 196 26 26 MET H H 8.900 0.030 1 197 26 26 MET HA H 4.825 0.030 1 198 26 26 MET HB2 H 1.941 0.030 1 199 26 26 MET HB3 H 1.941 0.030 1 200 26 26 MET HE H 2.163 0.030 1 201 26 26 MET HG2 H 2.839 0.030 2 202 26 26 MET HG3 H 2.497 0.030 2 203 26 26 MET C C 174.031 0.300 1 204 26 26 MET CA C 55.165 0.300 1 205 26 26 MET CB C 35.154 0.300 1 206 26 26 MET CE C 19.059 0.300 1 207 26 26 MET CG C 31.707 0.300 1 208 26 26 MET N N 112.327 0.300 1 209 27 27 ALA H H 9.142 0.030 1 210 27 27 ALA HA H 4.886 0.030 1 211 27 27 ALA HB H 1.428 0.030 1 212 27 27 ALA C C 176.583 0.300 1 213 27 27 ALA CA C 49.837 0.300 1 214 27 27 ALA CB C 20.688 0.300 1 215 27 27 ALA N N 126.176 0.300 1 216 28 28 GLU H H 8.157 0.030 1 217 28 28 GLU HA H 3.226 0.030 1 218 28 28 GLU HB2 H 1.722 0.030 2 219 28 28 GLU HB3 H 1.769 0.030 2 220 28 28 GLU HG2 H 1.943 0.030 2 221 28 28 GLU HG3 H 2.091 0.030 2 222 28 28 GLU C C 177.520 0.300 1 223 28 28 GLU CA C 58.830 0.300 1 224 28 28 GLU CB C 29.344 0.300 1 225 28 28 GLU CG C 35.773 0.300 1 226 28 28 GLU N N 120.353 0.300 1 227 29 29 GLY H H 8.788 0.030 1 228 29 29 GLY HA2 H 3.562 0.030 2 229 29 29 GLY HA3 H 4.236 0.030 2 230 29 29 GLY C C 173.680 0.300 1 231 29 29 GLY CA C 45.239 0.300 1 232 29 29 GLY N N 115.193 0.300 1 233 30 30 GLU H H 8.030 0.030 1 234 30 30 GLU HA H 4.141 0.030 1 235 30 30 GLU HB2 H 2.050 0.030 2 236 30 30 GLU HB3 H 2.297 0.030 2 237 30 30 GLU HG2 H 2.454 0.030 2 238 30 30 GLU HG3 H 2.288 0.030 2 239 30 30 GLU C C 174.708 0.300 1 240 30 30 GLU CA C 57.744 0.300 1 241 30 30 GLU CB C 31.762 0.300 1 242 30 30 GLU CG C 36.518 0.300 1 243 30 30 GLU N N 122.589 0.300 1 244 31 31 ASP H H 8.440 0.030 1 245 31 31 ASP HA H 5.128 0.030 1 246 31 31 ASP HB2 H 2.671 0.030 2 247 31 31 ASP HB3 H 2.752 0.030 2 248 31 31 ASP C C 175.813 0.300 1 249 31 31 ASP CA C 54.577 0.300 1 250 31 31 ASP CB C 42.793 0.300 1 251 31 31 ASP N N 123.242 0.300 1 252 32 32 LEU H H 9.088 0.030 1 253 32 32 LEU HA H 4.858 0.030 1 254 32 32 LEU HB2 H 1.223 0.030 2 255 32 32 LEU HB3 H 1.681 0.030 2 256 32 32 LEU HD1 H 0.852 0.030 1 257 32 32 LEU HD2 H 0.834 0.030 1 258 32 32 LEU HG H 1.598 0.030 1 259 32 32 LEU C C 176.308 0.300 1 260 32 32 LEU CA C 53.754 0.300 1 261 32 32 LEU CB C 46.274 0.300 1 262 32 32 LEU CD1 C 28.126 0.300 2 263 32 32 LEU CD2 C 25.669 0.300 2 264 32 32 LEU CG C 27.249 0.300 1 265 32 32 LEU N N 125.515 0.300 1 266 33 33 SER H H 8.287 0.030 1 267 33 33 SER HA H 4.900 0.030 1 268 33 33 SER HB2 H 3.692 0.030 2 269 33 33 SER HB3 H 3.786 0.030 2 270 33 33 SER C C 173.472 0.300 1 271 33 33 SER CA C 57.650 0.300 1 272 33 33 SER CB C 64.143 0.300 1 273 33 33 SER N N 115.152 0.300 1 274 34 34 LEU H H 8.526 0.030 1 275 34 34 LEU HA H 4.055 0.030 1 276 34 34 LEU HB2 H 1.298 0.030 2 277 34 34 LEU HB3 H 1.570 0.030 2 278 34 34 LEU HD1 H 0.690 0.030 1 279 34 34 LEU HD2 H 0.801 0.030 1 280 34 34 LEU HG H 1.324 0.030 1 281 34 34 LEU C C 175.710 0.300 1 282 34 34 LEU CA C 56.505 0.300 1 283 34 34 LEU CB C 42.793 0.300 1 284 34 34 LEU CD1 C 24.733 0.300 2 285 34 34 LEU CD2 C 25.987 0.300 2 286 34 34 LEU CG C 28.745 0.300 1 287 34 34 LEU N N 128.530 0.300 1 288 35 35 MET H H 8.830 0.030 1 289 35 35 MET HA H 4.683 0.030 1 290 35 35 MET HB2 H 1.359 0.030 2 291 35 35 MET HB3 H 2.043 0.030 2 292 35 35 MET HE H 1.938 0.030 1 293 35 35 MET HG2 H 2.146 0.030 2 294 35 35 MET HG3 H 2.310 0.030 2 295 35 35 MET C C 176.341 0.300 1 296 35 35 MET CA C 55.258 0.300 1 297 35 35 MET CB C 32.765 0.300 1 298 35 35 MET CE C 16.468 0.300 1 299 35 35 MET CG C 31.503 0.300 1 300 35 35 MET N N 124.229 0.300 1 301 36 36 GLU H H 7.675 0.030 1 302 36 36 GLU HA H 4.493 0.030 1 303 36 36 GLU HB2 H 1.896 0.030 2 304 36 36 GLU HB3 H 2.085 0.030 2 305 36 36 GLU HG2 H 2.440 0.030 2 306 36 36 GLU HG3 H 2.221 0.030 2 307 36 36 GLU C C 174.205 0.300 1 308 36 36 GLU CA C 56.116 0.300 1 309 36 36 GLU CB C 33.513 0.300 1 310 36 36 GLU CG C 36.267 0.300 1 311 36 36 GLU N N 118.683 0.300 1 312 37 37 GLU H H 8.752 0.030 1 313 37 37 GLU HA H 4.364 0.030 1 314 37 37 GLU HB2 H 1.978 0.030 2 315 37 37 GLU HB3 H 2.046 0.030 2 316 37 37 GLU HG2 H 2.302 0.030 1 317 37 37 GLU HG3 H 2.302 0.030 1 318 37 37 GLU C C 175.927 0.300 1 319 37 37 GLU CA C 56.301 0.300 1 320 37 37 GLU CB C 31.010 0.300 1 321 37 37 GLU CG C 37.027 0.300 1 322 37 37 GLU N N 124.657 0.300 1 323 38 38 ASP H H 8.622 0.030 1 324 38 38 ASP HA H 4.875 0.030 1 325 38 38 ASP HB2 H 2.594 0.030 2 326 38 38 ASP HB3 H 2.758 0.030 2 327 38 38 ASP C C 178.077 0.300 1 328 38 38 ASP CA C 54.537 0.300 1 329 38 38 ASP CB C 41.360 0.300 1 330 38 38 ASP N N 122.994 0.300 1 331 39 39 LYS H H 9.404 0.030 1 332 39 39 LYS HA H 4.432 0.030 1 333 39 39 LYS HB2 H 1.841 0.030 2 334 39 39 LYS HB3 H 2.092 0.030 2 335 39 39 LYS HD2 H 1.722 0.030 2 336 39 39 LYS HD3 H 1.792 0.030 2 337 39 39 LYS HE2 H 3.062 0.030 1 338 39 39 LYS HE3 H 3.062 0.030 1 339 39 39 LYS HG2 H 1.627 0.030 2 340 39 39 LYS HG3 H 1.695 0.030 2 341 39 39 LYS C C 177.227 0.300 1 342 39 39 LYS CA C 56.532 0.300 1 343 39 39 LYS CB C 32.154 0.300 1 344 39 39 LYS CD C 28.995 0.300 1 345 39 39 LYS CE C 42.034 0.300 1 346 39 39 LYS CG C 24.482 0.300 1 347 39 39 LYS N N 129.219 0.300 1 348 40 40 GLY H H 10.034 0.030 1 349 40 40 GLY HA2 H 3.608 0.030 2 350 40 40 GLY HA3 H 4.553 0.030 2 351 40 40 GLY C C 174.113 0.300 1 352 40 40 GLY CA C 44.968 0.300 1 353 40 40 GLY N N 110.152 0.300 1 354 41 41 ASP H H 8.356 0.030 1 355 41 41 ASP HA H 4.716 0.030 1 356 41 41 ASP HB2 H 2.627 0.030 2 357 41 41 ASP HB3 H 3.081 0.030 2 358 41 41 ASP C C 177.152 0.300 1 359 41 41 ASP CA C 52.978 0.300 1 360 41 41 ASP CB C 41.289 0.300 1 361 41 41 ASP N N 119.002 0.300 1 362 42 42 GLY H H 9.299 0.030 1 363 42 42 GLY HA2 H 3.761 0.030 2 364 42 42 GLY HA3 H 4.065 0.030 2 365 42 42 GLY C C 174.942 0.300 1 366 42 42 GLY CA C 45.777 0.300 1 367 42 42 GLY N N 110.092 0.300 1 368 43 43 TRP H H 7.478 0.030 1 369 43 43 TRP HA H 5.116 0.030 1 370 43 43 TRP HB2 H 2.780 0.030 2 371 43 43 TRP HB3 H 2.954 0.030 2 372 43 43 TRP HD1 H 6.773 0.030 1 373 43 43 TRP HE1 H 9.987 0.030 1 374 43 43 TRP HE3 H 7.113 0.030 1 375 43 43 TRP HH2 H 7.281 0.030 1 376 43 43 TRP HZ2 H 7.432 0.030 1 377 43 43 TRP HZ3 H 6.687 0.030 1 378 43 43 TRP C C 175.131 0.300 1 379 43 43 TRP CA C 56.082 0.300 1 380 43 43 TRP CB C 31.969 0.300 1 381 43 43 TRP CD1 C 128.570 0.300 1 382 43 43 TRP CE3 C 119.406 0.300 1 383 43 43 TRP CH2 C 123.888 0.300 1 384 43 43 TRP CZ2 C 114.768 0.300 1 385 43 43 TRP CZ3 C 120.816 0.300 1 386 43 43 TRP N N 121.812 0.300 1 387 43 43 TRP NE1 N 129.467 0.300 1 388 44 44 THR H H 9.446 0.030 1 389 44 44 THR HA H 4.582 0.030 1 390 44 44 THR HB H 3.571 0.030 1 391 44 44 THR HG2 H 1.080 0.030 1 392 44 44 THR C C 172.748 0.300 1 393 44 44 THR CA C 62.737 0.300 1 394 44 44 THR CB C 72.880 0.300 1 395 44 44 THR CG2 C 21.724 0.300 1 396 44 44 THR N N 119.676 0.300 1 397 45 45 ARG H H 8.562 0.030 1 398 45 45 ARG HA H 4.493 0.030 1 399 45 45 ARG HB2 H 1.361 0.030 2 400 45 45 ARG HB3 H 1.661 0.030 2 401 45 45 ARG HD2 H 2.760 0.030 1 402 45 45 ARG HD3 H 2.760 0.030 1 403 45 45 ARG HE H 7.513 0.030 1 404 45 45 ARG HG2 H 0.438 0.030 2 405 45 45 ARG HG3 H 1.098 0.030 2 406 45 45 ARG C C 175.253 0.300 1 407 45 45 ARG CA C 55.656 0.300 1 408 45 45 ARG CB C 32.530 0.300 1 409 45 45 ARG CD C 43.295 0.300 1 410 45 45 ARG CG C 28.687 0.300 1 411 45 45 ARG N N 127.909 0.300 1 412 45 45 ARG NE N 84.301 0.300 1 413 46 46 VAL H H 9.057 0.030 1 414 46 46 VAL HA H 5.242 0.030 1 415 46 46 VAL HB H 1.984 0.030 1 416 46 46 VAL HG1 H 0.742 0.030 1 417 46 46 VAL HG2 H 0.794 0.030 1 418 46 46 VAL C C 172.848 0.300 1 419 46 46 VAL CA C 58.773 0.300 1 420 46 46 VAL CB C 36.407 0.300 1 421 46 46 VAL CG1 C 22.978 0.300 2 422 46 46 VAL CG2 C 18.715 0.300 2 423 46 46 VAL N N 121.108 0.300 1 424 47 47 ARG H H 8.678 0.030 1 425 47 47 ARG HA H 5.244 0.030 1 426 47 47 ARG HB2 H 1.628 0.030 2 427 47 47 ARG HB3 H 1.726 0.030 2 428 47 47 ARG HD2 H 3.166 0.030 2 429 47 47 ARG HD3 H 3.207 0.030 2 430 47 47 ARG HG2 H 1.810 0.030 2 431 47 47 ARG HG3 H 1.540 0.030 2 432 47 47 ARG C C 176.549 0.300 1 433 47 47 ARG CA C 54.326 0.300 1 434 47 47 ARG CB C 34.976 0.300 1 435 47 47 ARG CD C 44.040 0.300 1 436 47 47 ARG CG C 27.240 0.300 1 437 47 47 ARG N N 118.905 0.300 1 438 48 48 ARG H H 9.021 0.030 1 439 48 48 ARG HA H 4.693 0.030 1 440 48 48 ARG HB2 H 1.793 0.030 2 441 48 48 ARG HB3 H 2.249 0.030 2 442 48 48 ARG HD2 H 3.148 0.030 2 443 48 48 ARG HD3 H 3.709 0.030 2 444 48 48 ARG HE H 8.636 0.030 1 445 48 48 ARG HG2 H 1.653 0.030 2 446 48 48 ARG HG3 H 1.534 0.030 2 447 48 48 ARG C C 178.503 0.300 1 448 48 48 ARG CA C 55.534 0.300 1 449 48 48 ARG CB C 32.538 0.300 1 450 48 48 ARG CD C 43.430 0.300 1 451 48 48 ARG CG C 27.249 0.300 1 452 48 48 ARG N N 126.530 0.300 1 453 48 48 ARG NE N 86.020 0.300 1 454 49 49 LYS H H 9.876 0.030 1 455 49 49 LYS HA H 4.004 0.030 1 456 49 49 LYS HB2 H 1.901 0.030 2 457 49 49 LYS HB3 H 2.038 0.030 2 458 49 49 LYS HD2 H 1.790 0.030 1 459 49 49 LYS HD3 H 1.790 0.030 1 460 49 49 LYS HE2 H 3.066 0.030 1 461 49 49 LYS HE3 H 3.066 0.030 1 462 49 49 LYS HG2 H 1.536 0.030 1 463 49 49 LYS HG3 H 1.536 0.030 1 464 49 49 LYS C C 178.585 0.300 1 465 49 49 LYS CA C 59.815 0.300 1 466 49 49 LYS CB C 32.125 0.300 1 467 49 49 LYS CD C 29.246 0.300 1 468 49 49 LYS CE C 42.034 0.300 1 469 49 49 LYS CG C 24.871 0.300 1 470 49 49 LYS N N 125.295 0.300 1 471 50 50 GLU H H 8.394 0.030 1 472 50 50 GLU HA H 4.374 0.030 1 473 50 50 GLU HB2 H 2.091 0.030 2 474 50 50 GLU HB3 H 2.208 0.030 2 475 50 50 GLU HG2 H 2.340 0.030 2 476 50 50 GLU HG3 H 2.305 0.030 2 477 50 50 GLU C C 176.694 0.300 1 478 50 50 GLU CA C 56.801 0.300 1 479 50 50 GLU CB C 28.898 0.300 1 480 50 50 GLU CG C 36.518 0.300 1 481 50 50 GLU N N 114.828 0.300 1 482 51 51 GLY H H 7.808 0.030 1 483 51 51 GLY HA2 H 3.545 0.030 2 484 51 51 GLY HA3 H 4.505 0.030 2 485 51 51 GLY C C 174.184 0.300 1 486 51 51 GLY CA C 44.880 0.300 1 487 51 51 GLY N N 107.737 0.300 1 488 52 52 GLY H H 8.278 0.030 1 489 52 52 GLY HA2 H 3.902 0.030 1 490 52 52 GLY HA3 H 3.902 0.030 1 491 52 52 GLY C C 171.700 0.300 1 492 52 52 GLY CA C 45.520 0.300 1 493 52 52 GLY N N 110.885 0.300 1 494 53 53 GLU H H 8.283 0.030 1 495 53 53 GLU HA H 5.561 0.030 1 496 53 53 GLU HB2 H 1.813 0.030 2 497 53 53 GLU HB3 H 1.922 0.030 2 498 53 53 GLU HG2 H 2.232 0.030 2 499 53 53 GLU HG3 H 2.014 0.030 2 500 53 53 GLU C C 175.577 0.300 1 501 53 53 GLU CA C 53.749 0.300 1 502 53 53 GLU CB C 34.169 0.300 1 503 53 53 GLU CG C 36.267 0.300 1 504 53 53 GLU N N 121.128 0.300 1 505 54 54 GLY H H 8.540 0.030 1 506 54 54 GLY HA2 H 3.759 0.030 2 507 54 54 GLY HA3 H 3.903 0.030 2 508 54 54 GLY C C 170.327 0.300 1 509 54 54 GLY CA C 45.222 0.300 1 510 54 54 GLY N N 107.971 0.300 1 511 55 55 TYR H H 8.772 0.030 1 512 55 55 TYR HA H 5.296 0.030 1 513 55 55 TYR HB2 H 2.419 0.030 2 514 55 55 TYR HB3 H 3.007 0.030 2 515 55 55 TYR HD1 H 6.933 0.030 1 516 55 55 TYR HD2 H 6.933 0.030 1 517 55 55 TYR HE1 H 6.872 0.030 1 518 55 55 TYR HE2 H 6.872 0.030 1 519 55 55 TYR C C 175.478 0.300 1 520 55 55 TYR CA C 59.221 0.300 1 521 55 55 TYR CB C 40.491 0.300 1 522 55 55 TYR CD1 C 133.042 0.300 1 523 55 55 TYR CD2 C 133.042 0.300 1 524 55 55 TYR CE1 C 118.490 0.300 1 525 55 55 TYR CE2 C 118.490 0.300 1 526 55 55 TYR N N 119.015 0.300 1 527 56 56 VAL H H 9.005 0.030 1 528 56 56 VAL HA H 4.739 0.030 1 529 56 56 VAL HB H 1.721 0.030 1 530 56 56 VAL HG1 H 1.158 0.030 1 531 56 56 VAL HG2 H 0.699 0.030 1 532 56 56 VAL C C 172.471 0.300 1 533 56 56 VAL CA C 58.190 0.300 1 534 56 56 VAL CB C 33.456 0.300 1 535 56 56 VAL CG1 C 22.225 0.300 2 536 56 56 VAL CG2 C 18.464 0.300 2 537 56 56 VAL N N 111.629 0.300 1 538 57 57 PRO HA H 3.802 0.030 1 539 57 57 PRO HB2 H 1.006 0.030 2 540 57 57 PRO HB3 H 1.417 0.030 2 541 57 57 PRO HD2 H 1.869 0.030 2 542 57 57 PRO HD3 H 1.913 0.030 2 543 57 57 PRO HG2 H 0.425 0.030 2 544 57 57 PRO HG3 H 0.510 0.030 2 545 57 57 PRO C C 178.473 0.300 1 546 57 57 PRO CA C 62.130 0.300 1 547 57 57 PRO CB C 30.621 0.300 1 548 57 57 PRO CD C 49.634 0.300 1 549 57 57 PRO CG C 28.142 0.300 1 550 58 58 THR H H 8.462 0.030 1 551 58 58 THR HA H 3.513 0.030 1 552 58 58 THR HB H 3.749 0.030 1 553 58 58 THR HG2 H 1.175 0.030 1 554 58 58 THR C C 176.466 0.300 1 555 58 58 THR CA C 65.930 0.300 1 556 58 58 THR CB C 68.469 0.300 1 557 58 58 THR CG2 C 22.485 0.300 1 558 58 58 THR N N 125.496 0.300 1 559 59 59 SER H H 8.462 0.030 1 560 59 59 SER HA H 4.248 0.030 1 561 59 59 SER HB2 H 4.088 0.030 2 562 59 59 SER HB3 H 3.834 0.030 2 563 59 59 SER C C 175.000 0.300 1 564 59 59 SER CA C 60.093 0.300 1 565 59 59 SER CB C 62.851 0.300 1 566 59 59 SER N N 112.986 0.300 1 567 60 60 TYR H H 7.992 0.030 1 568 60 60 TYR HA H 4.737 0.030 1 569 60 60 TYR HB2 H 3.136 0.030 2 570 60 60 TYR HB3 H 3.437 0.030 2 571 60 60 TYR HD1 H 7.099 0.030 1 572 60 60 TYR HD2 H 7.099 0.030 1 573 60 60 TYR HE1 H 6.959 0.030 1 574 60 60 TYR HE2 H 6.959 0.030 1 575 60 60 TYR C C 174.217 0.300 1 576 60 60 TYR CA C 56.567 0.300 1 577 60 60 TYR CB C 36.975 0.300 1 578 60 60 TYR CD1 C 131.668 0.300 1 579 60 60 TYR CD2 C 131.668 0.300 1 580 60 60 TYR CE1 C 118.342 0.300 1 581 60 60 TYR CE2 C 118.342 0.300 1 582 60 60 TYR N N 121.918 0.300 1 583 61 61 LEU H H 7.726 0.030 1 584 61 61 LEU HA H 5.186 0.030 1 585 61 61 LEU HB2 H 0.966 0.030 2 586 61 61 LEU HB3 H 1.997 0.030 2 587 61 61 LEU HD1 H 0.708 0.030 1 588 61 61 LEU HD2 H 0.672 0.030 1 589 61 61 LEU HG H 1.624 0.030 1 590 61 61 LEU C C 176.355 0.300 1 591 61 61 LEU CA C 53.574 0.300 1 592 61 61 LEU CB C 46.554 0.300 1 593 61 61 LEU CD1 C 25.815 0.300 2 594 61 61 LEU CD2 C 23.488 0.300 2 595 61 61 LEU CG C 25.649 0.300 1 596 61 61 LEU N N 119.256 0.300 1 597 62 62 ARG H H 9.039 0.030 1 598 62 62 ARG HA H 4.678 0.030 1 599 62 62 ARG HB2 H 1.552 0.030 2 600 62 62 ARG HB3 H 1.741 0.030 2 601 62 62 ARG HD2 H 3.134 0.030 1 602 62 62 ARG HD3 H 3.134 0.030 1 603 62 62 ARG HG2 H 1.380 0.030 2 604 62 62 ARG HG3 H 1.547 0.030 2 605 62 62 ARG C C 175.660 0.300 1 606 62 62 ARG CA C 54.833 0.300 1 607 62 62 ARG CB C 31.942 0.300 1 608 62 62 ARG CD C 43.551 0.300 1 609 62 62 ARG CG C 27.499 0.300 1 610 62 62 ARG N N 121.679 0.300 1 611 63 63 VAL H H 8.965 0.030 1 612 63 63 VAL HA H 4.257 0.030 1 613 63 63 VAL HB H 2.043 0.030 1 614 63 63 VAL HG1 H 0.992 0.030 1 615 63 63 VAL HG2 H 0.937 0.030 1 616 63 63 VAL C C 176.436 0.300 1 617 63 63 VAL CA C 63.352 0.300 1 618 63 63 VAL CB C 32.514 0.300 1 619 63 63 VAL CG1 C 21.332 0.300 2 620 63 63 VAL CG2 C 21.222 0.300 2 621 63 63 VAL N N 128.425 0.300 1 622 64 64 THR H H 8.489 0.030 1 623 64 64 THR HA H 4.535 0.030 1 624 64 64 THR HB H 4.283 0.030 1 625 64 64 THR HG2 H 1.174 0.030 1 626 64 64 THR C C 174.388 0.300 1 627 64 64 THR CA C 61.494 0.300 1 628 64 64 THR CB C 69.830 0.300 1 629 64 64 THR CG2 C 21.984 0.300 1 630 64 64 THR N N 120.939 0.300 1 631 65 65 SER H H 8.389 0.030 1 632 65 65 SER HA H 4.559 0.030 1 633 65 65 SER HB2 H 3.887 0.030 1 634 65 65 SER HB3 H 3.887 0.030 1 635 65 65 SER C C 174.376 0.300 1 636 65 65 SER CA C 58.229 0.300 1 637 65 65 SER CB C 64.019 0.300 1 638 65 65 SER N N 117.108 0.300 1 639 66 66 GLY H H 8.237 0.030 1 640 66 66 GLY HA2 H 3.993 0.030 1 641 66 66 GLY HA3 H 3.993 0.030 1 642 66 66 GLY C C 171.351 0.300 1 643 66 66 GLY CA C 44.511 0.300 1 644 66 66 GLY N N 110.202 0.300 1 645 67 67 PRO HA H 4.419 0.030 1 646 67 67 PRO HB2 H 2.262 0.030 1 647 67 67 PRO HB3 H 2.262 0.030 1 648 67 67 PRO HD2 H 3.545 0.030 2 649 67 67 PRO HD3 H 3.436 0.030 2 650 67 67 PRO HG2 H 1.978 0.030 1 651 67 67 PRO HG3 H 1.978 0.030 1 652 67 67 PRO CA C 63.097 0.300 1 653 67 67 PRO CB C 32.211 0.300 1 654 67 67 PRO CD C 49.617 0.300 1 655 67 67 PRO CG C 26.990 0.300 1 stop_ save_